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 2is2_1_B DATA FIRST_RESID 2 DATA SEQUENCE DVSYLLDSLN DKQREAVAAP RSNLLVLAGA GSGKTRVLVH RIAWLMSVEN DATA SEQUENCE CSPYSIMAVT FTNKAAAEMR HRIGQLMGTS QGGMWVGTFH GLAHRLLRAH DATA SEQUENCE HMDANLPQDF QILDSEDQLR LLKRLIKAMN LDEKQWPPRQ AMWYINSQKD DATA SEQUENCE EGLRPHHIQS YGNPVEQTWQ KVYQAYQEAC DRAGLVDFAE LLLRAHELWL DATA SEQUENCE NKPHILQHYR ERFTNILVDE FQDTNNIQYA WIRLLAGDTG KVMIVGDDDQ DATA SEQUENCE SIYGWRGAQV ENIQRFLNDF PGAETIRLEQ NYRSTSNILS AANALIENNN DATA SEQUENCE GRLGKKLWTD GADGEPISLY CAFNELDEAR FVVNRIKTWQ DNGGALAECA DATA SEQUENCE ILYRSNAQSR VLEEALLQAS MPYRIYGGMR FFERQEIKDA LSYLRLIVNR DATA SEQUENCE NDDAAFERVV NTPTRGIGDR TLDVVRQTSR DRQLTLWQAC RELLQEKALA DATA SEQUENCE GRAASALQRF MELIDALAQE TADMPLHVQT DRVIKDSGLR TMYEQEKGEK DATA SEQUENCE GQTRIENLEE LVTATRQFSY XXXDEDLMPL QAFLSHAALE AGEGQADTWQ DATA SEQUENCE DAVQLMTLHS AKGLEFPQVF IVGMEEGMFP SQMSLDEGGR LEEERRLAYV DATA SEQUENCE GVTRAMQKLT LTYAETRRLY GKEVYHRPSR FIGELPEECV EEVRL 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 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.256 176.300 -0.073 0.000 2.045 2 D CA 0.000 53.949 54.000 -0.084 0.000 0.868 2 D CB 0.000 40.700 40.800 -0.167 0.000 0.688 3 V N -0.849 119.041 119.914 -0.041 0.000 3.336 3 V HA 0.912 5.032 4.120 0.000 0.000 0.314 3 V C 0.642 176.654 176.094 -0.137 0.000 1.088 3 V CA -0.238 62.050 62.300 -0.019 0.000 1.033 3 V CB 1.855 33.724 31.823 0.077 0.000 1.181 3 V HN 0.904 nan 8.190 nan 0.000 0.449 4 S N -0.230 115.392 115.700 -0.129 0.000 2.721 4 S HA 0.445 4.915 4.470 0.000 0.000 0.264 4 S C -0.363 174.099 174.600 -0.230 0.000 1.161 4 S CA -0.176 57.837 58.200 -0.312 0.000 1.113 4 S CB 0.496 63.617 63.200 -0.132 0.000 1.079 4 S HN 0.811 nan 8.310 nan 0.000 0.479 5 Y N 0.694 120.995 120.300 0.002 0.000 2.449 5 Y HA 0.446 4.996 4.550 0.000 0.000 0.254 5 Y C 1.227 177.120 175.900 -0.012 0.000 1.140 5 Y CA -0.356 57.743 58.100 -0.002 0.000 1.272 5 Y CB -0.527 37.932 38.460 -0.002 0.000 1.114 5 Y HN 0.436 nan 8.280 nan 0.000 0.525 6 L N -0.062 120.881 121.223 -0.466 0.000 2.044 6 L HA -0.101 4.240 4.340 0.000 0.000 0.205 6 L C 1.849 178.565 176.870 -0.257 0.000 1.075 6 L CA 1.283 55.967 54.840 -0.260 0.000 0.747 6 L CB -0.411 41.515 42.059 -0.222 0.000 0.903 6 L HN 0.268 nan 8.230 nan 0.000 0.435 7 L N -1.115 120.020 121.223 -0.148 0.000 2.127 7 L HA -0.077 4.263 4.340 0.000 0.000 0.203 7 L C 2.003 178.815 176.870 -0.096 0.000 1.080 7 L CA 0.783 55.551 54.840 -0.119 0.000 0.768 7 L CB -0.638 41.408 42.059 -0.021 0.000 0.924 7 L HN 0.126 nan 8.230 nan 0.000 0.444 8 D N 0.196 120.564 120.400 -0.053 0.000 2.347 8 D HA -0.197 4.444 4.640 0.000 0.000 0.208 8 D C 1.970 178.257 176.300 -0.022 0.000 0.994 8 D CA 1.769 55.758 54.000 -0.018 0.000 0.924 8 D CB -0.010 40.796 40.800 0.011 0.000 0.892 8 D HN 0.485 nan 8.370 nan 0.000 0.471 9 S N -1.083 114.583 115.700 -0.057 0.000 2.575 9 S HA 0.136 4.606 4.470 0.000 0.000 0.215 9 S C 1.054 175.620 174.600 -0.057 0.000 0.966 9 S CA -0.292 57.881 58.200 -0.046 0.000 0.911 9 S CB 0.353 63.529 63.200 -0.041 0.000 0.780 9 S HN 0.083 nan 8.310 nan 0.000 0.514 10 L N 1.539 122.720 121.223 -0.070 0.000 2.491 10 L HA 0.591 4.931 4.340 0.000 0.000 0.264 10 L C -0.469 176.397 176.870 -0.006 0.000 1.053 10 L CA -1.266 53.543 54.840 -0.051 0.000 0.858 10 L CB 0.459 42.475 42.059 -0.071 0.000 1.519 10 L HN 0.207 nan 8.230 nan 0.000 0.508 11 N N -1.957 116.755 118.700 0.020 0.000 2.346 11 N HA 0.221 4.961 4.740 0.000 0.000 0.289 11 N C -0.254 175.291 175.510 0.058 0.000 1.027 11 N CA -0.577 52.513 53.050 0.067 0.000 0.864 11 N CB 1.345 39.914 38.487 0.136 0.000 1.370 11 N HN 0.666 nan 8.380 nan 0.000 0.481 12 D N 1.587 122.017 120.400 0.051 0.000 5.591 12 D HA -0.470 4.170 4.640 0.000 0.000 0.357 12 D C 1.097 177.414 176.300 0.028 0.000 1.674 12 D CA 2.092 56.113 54.000 0.036 0.000 1.017 12 D CB -0.282 40.549 40.800 0.053 0.000 0.725 12 D HN 0.510 nan 8.370 nan 0.000 0.843 13 K N 0.665 121.103 120.400 0.063 0.000 1.988 13 K HA -0.221 4.099 4.320 0.000 0.000 0.221 13 K C 2.465 179.076 176.600 0.019 0.000 1.053 13 K CA 2.225 58.546 56.287 0.057 0.000 0.959 13 K CB -0.785 31.778 32.500 0.105 0.000 0.728 13 K HN 0.636 nan 8.250 nan 0.000 0.447 14 Q N 0.326 120.139 119.800 0.022 0.000 2.014 14 Q HA -0.194 4.146 4.340 0.000 0.000 0.207 14 Q C 2.335 178.308 176.000 -0.044 0.000 0.993 14 Q CA 1.465 57.265 55.803 -0.005 0.000 0.850 14 Q CB -0.451 28.286 28.738 -0.001 0.000 0.916 14 Q HN 0.306 nan 8.270 nan 0.000 0.417 15 R N 1.298 121.770 120.500 -0.047 0.000 2.140 15 R HA -0.268 4.072 4.340 0.000 0.000 0.250 15 R C 2.093 178.311 176.300 -0.136 0.000 1.150 15 R CA 2.045 58.093 56.100 -0.088 0.000 0.966 15 R CB -0.254 30.015 30.300 -0.051 0.000 0.869 15 R HN 0.461 nan 8.270 nan 0.000 0.445 16 E N -0.349 119.796 120.200 -0.091 0.000 2.077 16 E HA -0.188 4.163 4.350 0.000 0.000 0.193 16 E C 1.786 178.296 176.600 -0.151 0.000 0.989 16 E CA 1.236 57.574 56.400 -0.104 0.000 0.800 16 E CB -0.122 29.549 29.700 -0.048 0.000 0.746 16 E HN 0.504 nan 8.360 nan 0.000 0.452 17 A N 0.651 123.397 122.820 -0.124 0.000 1.873 17 A HA -0.111 4.209 4.320 0.000 0.000 0.215 17 A C 2.436 179.885 177.584 -0.224 0.000 1.186 17 A CA 1.419 53.378 52.037 -0.130 0.000 0.616 17 A CB -0.766 18.191 19.000 -0.072 0.000 0.823 17 A HN 0.215 nan 8.150 nan 0.000 0.442 18 V N -0.126 119.640 119.914 -0.247 0.000 2.282 18 V HA -0.271 3.850 4.120 0.000 0.000 0.249 18 V C 2.847 178.407 176.094 -0.891 0.000 1.057 18 V CA 2.126 64.212 62.300 -0.356 0.000 1.032 18 V CB -1.116 30.568 31.823 -0.231 0.000 0.645 18 V HN 0.606 nan 8.190 nan 0.000 0.447 19 A N -0.418 121.814 122.820 -0.980 0.000 2.218 19 A HA 0.502 4.823 4.320 0.000 0.000 0.209 19 A C 1.415 178.561 177.584 -0.730 0.000 1.168 19 A CA 0.584 51.750 52.037 -1.451 0.000 0.804 19 A CB -0.550 17.954 19.000 -0.827 0.000 0.834 19 A HN 0.615 nan 8.150 nan 0.000 0.482 20 A N 1.061 123.602 122.820 -0.466 0.000 2.632 20 A HA 0.339 4.659 4.320 0.000 0.000 0.229 20 A C -2.039 175.452 177.584 -0.155 0.000 1.047 20 A CA -0.306 51.592 52.037 -0.231 0.000 0.754 20 A CB -0.533 18.368 19.000 -0.165 0.000 0.969 20 A HN 0.319 nan 8.150 nan 0.000 0.509 21 P HA 0.159 nan 4.420 nan 0.000 0.271 21 P C -0.042 177.273 177.300 0.026 0.000 1.233 21 P CA -0.348 62.761 63.100 0.014 0.000 0.789 21 P CB 0.428 32.139 31.700 0.018 0.000 0.951 22 R N 1.566 122.104 120.500 0.064 0.000 2.401 22 R HA 0.394 4.735 4.340 0.000 0.000 0.299 22 R C -0.340 175.991 176.300 0.051 0.000 1.064 22 R CA 0.759 56.899 56.100 0.067 0.000 1.000 22 R CB -0.234 30.114 30.300 0.081 0.000 0.973 22 R HN 0.808 nan 8.270 nan 0.000 0.438 23 S N 2.076 117.808 115.700 0.054 0.000 2.719 23 S HA 0.041 4.511 4.470 0.000 0.000 0.272 23 S C -1.276 173.372 174.600 0.080 0.000 0.964 23 S CA -1.275 56.961 58.200 0.060 0.000 0.944 23 S CB 0.101 63.327 63.200 0.042 0.000 1.199 23 S HN 0.634 nan 8.310 nan 0.000 0.461 24 N N 1.070 119.835 118.700 0.107 0.000 2.453 24 N HA 0.673 5.413 4.740 0.000 0.000 0.253 24 N C -0.027 175.554 175.510 0.119 0.000 1.252 24 N CA 0.453 53.601 53.050 0.164 0.000 0.917 24 N CB 0.277 38.862 38.487 0.163 0.000 1.117 24 N HN 1.002 nan 8.380 nan 0.000 0.442 25 L N -2.941 118.406 121.223 0.207 0.000 3.204 25 L HA 0.587 4.927 4.340 0.000 0.000 0.300 25 L C -2.001 174.977 176.870 0.179 0.000 0.932 25 L CA -1.246 53.682 54.840 0.147 0.000 1.041 25 L CB 0.743 42.834 42.059 0.053 0.000 1.617 25 L HN 0.344 nan 8.230 nan 0.000 0.369 26 L N 0.195 121.466 121.223 0.080 0.000 2.371 26 L HA 0.903 5.243 4.340 0.000 0.000 0.262 26 L C -1.162 175.704 176.870 -0.006 0.000 1.006 26 L CA -0.423 54.425 54.840 0.013 0.000 0.818 26 L CB 2.531 44.619 42.059 0.048 0.000 1.354 26 L HN 0.468 nan 8.230 nan 0.000 0.415 27 V N 5.015 124.914 119.914 -0.025 0.000 2.562 27 V HA 0.204 4.325 4.120 0.000 0.000 0.274 27 V C 0.245 176.342 176.094 0.004 0.000 1.075 27 V CA -0.548 61.746 62.300 -0.010 0.000 1.204 27 V CB 0.756 32.568 31.823 -0.018 0.000 1.478 27 V HN 0.705 nan 8.190 nan 0.000 0.622 28 L N 3.142 124.374 121.223 0.016 0.000 3.840 28 L HA -0.033 4.307 4.340 0.000 0.000 0.322 28 L C 1.088 177.979 176.870 0.036 0.000 1.166 28 L CA 1.029 55.888 54.840 0.032 0.000 1.160 28 L CB -1.001 41.083 42.059 0.041 0.000 1.623 28 L HN 0.619 nan 8.230 nan 0.000 0.381 29 A N 3.663 126.500 122.820 0.030 0.000 2.425 29 A HA 0.497 4.818 4.320 0.000 0.000 0.242 29 A C 1.185 178.791 177.584 0.035 0.000 1.077 29 A CA 0.244 52.297 52.037 0.025 0.000 0.781 29 A CB 0.390 19.399 19.000 0.014 0.000 1.020 29 A HN 0.809 nan 8.150 nan 0.000 0.494 30 G N -0.033 108.782 108.800 0.024 0.000 2.618 30 G HA2 0.515 4.475 3.960 0.000 0.000 0.222 30 G HA3 0.515 4.475 3.960 0.000 0.000 0.222 30 G C 0.439 175.338 174.900 -0.003 0.000 1.520 30 G CA 0.774 45.890 45.100 0.027 0.000 0.930 30 G HN 2.204 nan 8.290 nan 0.000 0.547 31 A N -2.173 120.629 122.820 -0.030 0.000 1.778 31 A HA 0.549 4.869 4.320 0.000 0.000 0.236 31 A C 0.381 177.935 177.584 -0.050 0.000 2.310 31 A CA 0.614 52.610 52.037 -0.068 0.000 2.051 31 A CB -0.617 18.300 19.000 -0.138 0.000 0.492 31 A HN 2.195 nan 8.150 nan 0.000 0.946 32 G N -0.107 108.683 108.800 -0.017 0.000 2.240 32 G HA2 0.182 4.142 3.960 0.000 0.000 0.181 32 G HA3 0.182 4.142 3.960 0.000 0.000 0.181 32 G C 0.712 175.679 174.900 0.111 0.000 1.028 32 G CA 0.583 45.703 45.100 0.034 0.000 0.760 32 G HN 1.937 nan 8.290 nan 0.000 0.508 33 S N 0.054 115.776 115.700 0.036 0.000 2.577 33 S HA 0.461 4.931 4.470 0.000 0.000 0.219 33 S C 1.670 176.250 174.600 -0.034 0.000 0.962 33 S CA 0.820 59.039 58.200 0.031 0.000 0.921 33 S CB 0.482 63.691 63.200 0.015 0.000 0.789 33 S HN 2.080 nan 8.310 nan 0.000 0.497 34 G N 3.529 112.297 108.800 -0.054 0.000 2.395 34 G HA2 -0.367 3.593 3.960 0.000 0.000 0.292 34 G HA3 -0.367 3.593 3.960 0.000 0.000 0.292 34 G C 0.652 175.526 174.900 -0.044 0.000 0.953 34 G CA 0.692 45.750 45.100 -0.070 0.000 1.207 34 G HN 0.824 nan 8.290 nan 0.000 0.503 35 K N -1.199 119.185 120.400 -0.027 0.000 2.209 35 K HA -0.098 4.223 4.320 0.000 0.000 0.204 35 K C 2.098 178.688 176.600 -0.016 0.000 1.048 35 K CA 1.792 58.071 56.287 -0.014 0.000 0.940 35 K CB -0.278 32.219 32.500 -0.006 0.000 0.729 35 K HN 0.263 nan 8.250 nan 0.000 0.451 36 T N 1.217 115.756 114.554 -0.024 0.000 2.777 36 T HA -0.140 4.210 4.350 0.000 0.000 0.266 36 T C 1.795 176.461 174.700 -0.057 0.000 1.040 36 T CA 1.445 63.528 62.100 -0.028 0.000 1.141 36 T CB -0.204 68.649 68.868 -0.024 0.000 0.868 36 T HN 0.419 nan 8.240 nan 0.000 0.444 37 R N 0.844 121.305 120.500 -0.064 0.000 2.103 37 R HA -0.130 4.210 4.340 0.000 0.000 0.234 37 R C 2.286 178.548 176.300 -0.063 0.000 1.132 37 R CA 1.779 57.820 56.100 -0.097 0.000 0.925 37 R CB -0.853 29.438 30.300 -0.016 0.000 0.842 37 R HN 0.202 nan 8.270 nan 0.000 0.430 38 V N 1.402 121.334 119.914 0.029 0.000 2.439 38 V HA -0.279 3.841 4.120 0.000 0.000 0.253 38 V C 2.356 178.467 176.094 0.028 0.000 1.074 38 V CA 1.907 64.244 62.300 0.061 0.000 1.076 38 V CB -0.416 31.419 31.823 0.020 0.000 0.664 38 V HN 0.357 nan 8.190 nan 0.000 0.461 39 L N -1.002 120.215 121.223 -0.011 0.000 2.095 39 L HA -0.084 4.256 4.340 0.000 0.000 0.204 39 L C 2.417 179.272 176.870 -0.025 0.000 1.080 39 L CA 0.879 55.715 54.840 -0.007 0.000 0.759 39 L CB -0.538 41.518 42.059 -0.006 0.000 0.914 39 L HN 0.156 nan 8.230 nan 0.000 0.439 40 V N -0.626 119.222 119.914 -0.109 0.000 2.392 40 V HA -0.311 3.809 4.120 0.000 0.000 0.249 40 V C 2.449 178.445 176.094 -0.165 0.000 1.059 40 V CA 1.682 63.874 62.300 -0.179 0.000 1.051 40 V CB -0.822 30.803 31.823 -0.329 0.000 0.658 40 V HN 0.478 nan 8.190 nan 0.000 0.455 41 H N -0.475 118.623 119.070 0.046 0.000 2.448 41 H HA 0.036 4.592 4.556 0.000 0.000 0.292 41 H C 2.410 177.806 175.328 0.113 0.000 1.035 41 H CA 1.261 57.355 56.048 0.077 0.000 1.349 41 H CB -0.070 29.724 29.762 0.053 0.000 1.425 41 H HN 0.244 nan 8.280 nan 0.000 0.539 42 R N 1.849 122.449 120.500 0.166 0.000 2.152 42 R HA -0.051 4.289 4.340 0.000 0.000 0.232 42 R C 1.940 178.350 176.300 0.182 0.000 1.117 42 R CA 0.895 57.070 56.100 0.125 0.000 0.981 42 R CB -0.761 29.566 30.300 0.046 0.000 0.870 42 R HN 0.388 nan 8.270 nan 0.000 0.451 43 I N -1.231 119.430 120.570 0.152 0.000 2.703 43 I HA 0.134 4.305 4.170 0.000 0.000 0.259 43 I C 2.154 178.369 176.117 0.164 0.000 1.151 43 I CA 0.760 62.145 61.300 0.142 0.000 1.470 43 I CB -0.535 37.524 38.000 0.098 0.000 1.112 43 I HN 0.095 nan 8.210 nan 0.000 0.437 44 A N 1.488 124.420 122.820 0.187 0.000 1.972 44 A HA -0.211 4.109 4.320 0.000 0.000 0.219 44 A C 2.226 179.928 177.584 0.197 0.000 1.169 44 A CA 1.203 53.353 52.037 0.189 0.000 0.635 44 A CB -0.908 18.241 19.000 0.250 0.000 0.810 44 A HN 0.735 nan 8.150 nan 0.000 0.446 45 W N 0.821 122.151 121.300 0.050 0.000 2.452 45 W HA -0.086 4.574 4.660 0.000 0.000 0.313 45 W C 1.698 178.233 176.519 0.025 0.000 1.176 45 W CA 1.503 58.861 57.345 0.022 0.000 1.350 45 W CB -0.528 28.941 29.460 0.015 0.000 1.148 45 W HN 0.292 nan 8.180 nan 0.000 0.498 46 L N 0.374 121.804 121.223 0.345 0.000 2.189 46 L HA -0.286 4.055 4.340 0.000 0.000 0.214 46 L C 2.404 179.331 176.870 0.095 0.000 1.097 46 L CA 1.384 56.355 54.840 0.218 0.000 0.764 46 L CB -0.867 41.301 42.059 0.182 0.000 0.900 46 L HN 0.066 nan 8.230 nan 0.000 0.436 47 M N -1.645 118.000 119.600 0.075 0.000 2.447 47 M HA -0.039 4.441 4.480 0.000 0.000 0.266 47 M C 2.235 178.526 176.300 -0.014 0.000 1.120 47 M CA 0.755 56.079 55.300 0.040 0.000 1.166 47 M CB 0.133 32.770 32.600 0.062 0.000 1.349 47 M HN 0.110 nan 8.290 nan 0.000 0.463 48 S N 0.324 115.990 115.700 -0.058 0.000 2.310 48 S HA -0.036 4.434 4.470 0.000 0.000 0.201 48 S C 1.801 176.248 174.600 -0.255 0.000 1.032 48 S CA 0.735 58.856 58.200 -0.131 0.000 0.993 48 S CB -0.336 62.771 63.200 -0.155 0.000 0.970 48 S HN 0.121 nan 8.310 nan 0.000 0.446 49 V N 2.678 122.268 119.914 -0.540 0.000 2.246 49 V HA -0.164 3.956 4.120 0.000 0.000 0.237 49 V C 2.019 177.916 176.094 -0.328 0.000 1.025 49 V CA 1.637 63.534 62.300 -0.671 0.000 0.993 49 V CB -0.792 30.060 31.823 -1.619 0.000 0.642 49 V HN 0.505 nan 8.190 nan 0.000 0.466 50 E N 0.664 120.732 120.200 -0.220 0.000 2.516 50 E HA -0.141 4.209 4.350 0.000 0.000 0.206 50 E C 0.020 176.615 176.600 -0.008 0.000 1.107 50 E CA 0.088 56.489 56.400 0.003 0.000 0.903 50 E CB -0.812 28.990 29.700 0.170 0.000 0.838 50 E HN 0.540 nan 8.360 nan 0.000 0.574 51 N N 0.653 119.320 118.700 -0.054 0.000 2.717 51 N HA -0.191 4.549 4.740 0.000 0.000 0.298 51 N C -0.785 174.723 175.510 -0.003 0.000 1.128 51 N CA 0.745 53.776 53.050 -0.032 0.000 0.778 51 N CB -1.034 37.428 38.487 -0.041 0.000 0.972 51 N HN 0.169 nan 8.380 nan 0.000 0.573 52 C N 0.573 119.883 119.300 0.017 0.000 2.614 52 C HA 0.494 4.954 4.460 0.000 0.000 0.320 52 C C 1.096 176.106 174.990 0.033 0.000 1.200 52 C CA -0.794 58.239 59.018 0.024 0.000 1.700 52 C CB 1.965 29.733 27.740 0.046 0.000 2.275 52 C HN 0.623 nan 8.230 nan 0.000 0.492 53 S N 1.409 117.125 115.700 0.026 0.000 2.548 53 S HA 0.232 4.702 4.470 0.000 0.000 0.277 53 S C -1.586 173.090 174.600 0.127 0.000 1.315 53 S CA -0.805 57.434 58.200 0.066 0.000 1.050 53 S CB 0.712 63.919 63.200 0.013 0.000 0.918 53 S HN 0.570 nan 8.310 nan 0.000 0.497 54 P HA -0.085 nan 4.420 nan 0.000 0.222 54 P C 0.025 177.350 177.300 0.042 0.000 1.142 54 P CA 1.091 64.262 63.100 0.120 0.000 0.788 54 P CB -0.032 31.725 31.700 0.094 0.000 0.767 55 Y N -0.960 119.271 120.300 -0.115 0.000 2.578 55 Y HA 0.020 4.570 4.550 0.000 0.000 0.297 55 Y C 2.230 177.772 175.900 -0.597 0.000 1.176 55 Y CA 0.772 58.700 58.100 -0.288 0.000 1.315 55 Y CB -0.887 37.426 38.460 -0.245 0.000 1.031 55 Y HN 0.115 nan 8.280 nan 0.000 0.524 56 S N -1.620 113.953 115.700 -0.212 0.000 2.520 56 S HA 0.196 4.667 4.470 0.000 0.000 0.219 56 S C 0.316 174.951 174.600 0.057 0.000 1.028 56 S CA -0.206 57.848 58.200 -0.244 0.000 0.921 56 S CB -0.300 62.847 63.200 -0.088 0.000 0.844 56 S HN 0.023 nan 8.310 nan 0.000 0.495 57 I N 2.449 123.102 120.570 0.137 0.000 2.581 57 I HA 0.468 4.638 4.170 0.000 0.000 0.288 57 I C 0.086 176.468 176.117 0.441 0.000 1.047 57 I CA 0.151 61.599 61.300 0.247 0.000 1.374 57 I CB 1.148 39.247 38.000 0.164 0.000 1.423 57 I HN 0.351 nan 8.210 nan 0.000 0.549 58 M N 5.251 125.030 119.600 0.299 0.000 2.284 58 M HA 0.583 5.063 4.480 0.000 0.000 0.229 58 M C -1.426 174.921 176.300 0.078 0.000 0.984 58 M CA -0.355 55.050 55.300 0.175 0.000 1.016 58 M CB 0.995 33.511 32.600 -0.140 0.000 2.379 58 M HN 0.723 nan 8.290 nan 0.000 0.459 59 A N 3.366 126.236 122.820 0.083 0.000 2.304 59 A HA 0.843 5.163 4.320 0.000 0.000 0.271 59 A C -0.863 176.705 177.584 -0.026 0.000 1.091 59 A CA -0.456 51.600 52.037 0.032 0.000 0.812 59 A CB 1.040 20.066 19.000 0.043 0.000 1.056 59 A HN 0.659 nan 8.150 nan 0.000 0.489 60 V N 1.397 121.260 119.914 -0.086 0.000 2.653 60 V HA 0.465 4.585 4.120 0.000 0.000 0.298 60 V C -0.154 175.832 176.094 -0.180 0.000 1.097 60 V CA -0.433 61.724 62.300 -0.240 0.000 0.908 60 V CB 1.622 33.145 31.823 -0.501 0.000 1.024 60 V HN 1.094 nan 8.190 nan 0.000 0.435 61 T N 2.802 117.285 114.554 -0.117 0.000 2.841 61 T HA 0.608 4.959 4.350 0.000 0.000 0.276 61 T C 0.332 175.105 174.700 0.122 0.000 1.003 61 T CA -0.227 61.918 62.100 0.075 0.000 0.995 61 T CB 1.708 70.623 68.868 0.079 0.000 1.260 61 T HN 0.281 nan 8.240 nan 0.000 0.581 62 F N 1.090 121.057 119.950 0.029 0.000 2.383 62 F HA 0.201 4.729 4.527 0.000 0.000 0.287 62 F C 1.872 177.673 175.800 0.002 0.000 1.069 62 F CA 0.290 58.316 58.000 0.043 0.000 1.402 62 F CB -0.043 38.962 39.000 0.008 0.000 1.116 62 F HN 0.571 nan 8.300 nan 0.000 0.549 63 T N -1.646 113.011 114.554 0.171 0.000 2.934 63 T HA 0.211 4.562 4.350 0.000 0.000 0.283 63 T C 0.926 175.645 174.700 0.033 0.000 1.005 63 T CA -0.693 61.451 62.100 0.074 0.000 1.041 63 T CB 1.193 70.106 68.868 0.074 0.000 1.042 63 T HN -0.001 nan 8.240 nan 0.000 0.505 64 N N 0.845 119.545 118.700 -0.000 0.000 2.250 64 N HA -0.063 4.677 4.740 0.000 0.000 0.181 64 N C 1.756 177.269 175.510 0.004 0.000 1.017 64 N CA 0.705 53.749 53.050 -0.010 0.000 0.866 64 N CB -0.221 38.246 38.487 -0.033 0.000 0.985 64 N HN 0.730 nan 8.380 nan 0.000 0.429 65 K N 1.490 121.895 120.400 0.009 0.000 2.032 65 K HA -0.076 4.244 4.320 0.000 0.000 0.209 65 K C 1.971 178.585 176.600 0.023 0.000 1.048 65 K CA 1.446 57.741 56.287 0.014 0.000 0.927 65 K CB -0.059 32.455 32.500 0.023 0.000 0.712 65 K HN 0.048 nan 8.250 nan 0.000 0.441 66 A N 1.119 123.960 122.820 0.034 0.000 1.855 66 A HA -0.014 4.306 4.320 0.000 0.000 0.215 66 A C 2.332 179.937 177.584 0.035 0.000 1.191 66 A CA 1.724 53.783 52.037 0.038 0.000 0.613 66 A CB -0.838 18.193 19.000 0.052 0.000 0.829 66 A HN 0.500 nan 8.150 nan 0.000 0.442 67 A N -0.736 122.103 122.820 0.032 0.000 2.178 67 A HA 0.276 4.596 4.320 0.000 0.000 0.218 67 A C 2.158 179.756 177.584 0.024 0.000 1.157 67 A CA 1.788 53.839 52.037 0.022 0.000 0.689 67 A CB -0.569 18.433 19.000 0.004 0.000 0.787 67 A HN 0.914 nan 8.150 nan 0.000 0.465 68 A N -0.822 122.013 122.820 0.024 0.000 1.942 68 A HA 0.068 4.388 4.320 0.000 0.000 0.209 68 A C 1.924 179.534 177.584 0.043 0.000 1.214 68 A CA 0.996 53.049 52.037 0.027 0.000 0.686 68 A CB -0.325 18.683 19.000 0.014 0.000 0.871 68 A HN 0.479 nan 8.150 nan 0.000 0.460 69 E N -0.838 119.384 120.200 0.037 0.000 2.338 69 E HA -0.187 4.163 4.350 0.000 0.000 0.197 69 E C 1.688 178.345 176.600 0.095 0.000 1.007 69 E CA 1.053 57.488 56.400 0.058 0.000 0.849 69 E CB -0.106 29.615 29.700 0.034 0.000 0.774 69 E HN 0.457 nan 8.360 nan 0.000 0.506 70 M N 0.753 120.390 119.600 0.061 0.000 2.074 70 M HA -0.110 4.370 4.480 0.000 0.000 0.259 70 M C 2.251 178.586 176.300 0.059 0.000 1.079 70 M CA 1.628 56.955 55.300 0.046 0.000 1.119 70 M CB -0.458 32.163 32.600 0.035 0.000 1.297 70 M HN -0.109 nan 8.290 nan 0.000 0.416 71 R N -1.447 119.091 120.500 0.063 0.000 2.174 71 R HA -0.290 4.051 4.340 0.000 0.000 0.253 71 R C 2.226 178.579 176.300 0.088 0.000 1.165 71 R CA 2.146 58.286 56.100 0.066 0.000 0.984 71 R CB -0.523 29.813 30.300 0.060 0.000 0.873 71 R HN 0.579 nan 8.270 nan 0.000 0.456 72 H N 0.205 119.276 119.070 0.002 0.000 2.267 72 H HA -0.038 4.518 4.556 0.000 0.000 0.302 72 H C 1.939 177.265 175.328 -0.003 0.000 1.056 72 H CA 2.206 58.253 56.048 -0.001 0.000 1.269 72 H CB -0.077 29.683 29.762 -0.004 0.000 1.385 72 H HN 0.083 nan 8.280 nan 0.000 0.501 73 R N 0.070 120.497 120.500 -0.121 0.000 2.117 73 R HA -0.128 4.212 4.340 0.000 0.000 0.243 73 R C 2.313 178.530 176.300 -0.138 0.000 1.143 73 R CA 1.510 57.492 56.100 -0.197 0.000 0.968 73 R CB -0.352 29.894 30.300 -0.089 0.000 0.863 73 R HN 0.380 nan 8.270 nan 0.000 0.444 74 I N 0.346 120.875 120.570 -0.068 0.000 2.208 74 I HA -0.159 4.012 4.170 0.000 0.000 0.245 74 I C 2.461 178.557 176.117 -0.034 0.000 1.097 74 I CA 1.799 63.082 61.300 -0.029 0.000 1.363 74 I CB -1.828 36.178 38.000 0.009 0.000 1.051 74 I HN 0.272 nan 8.210 nan 0.000 0.413 75 G N -0.155 108.610 108.800 -0.058 0.000 2.534 75 G HA2 -0.165 3.796 3.960 0.000 0.000 0.217 75 G HA3 -0.165 3.796 3.960 0.000 0.000 0.217 75 G C 1.566 176.408 174.900 -0.096 0.000 1.128 75 G CA 0.054 45.120 45.100 -0.056 0.000 0.784 75 G HN 0.457 nan 8.290 nan 0.000 0.542 76 Q N -1.049 118.646 119.800 -0.174 0.000 2.376 76 Q HA 0.208 4.548 4.340 0.000 0.000 0.206 76 Q C 2.081 178.040 176.000 -0.068 0.000 0.921 76 Q CA 0.059 55.765 55.803 -0.161 0.000 0.911 76 Q CB 0.164 28.735 28.738 -0.277 0.000 1.032 76 Q HN 0.396 nan 8.270 nan 0.000 0.510 77 L N -0.176 121.025 121.223 -0.038 0.000 2.117 77 L HA 0.075 4.416 4.340 0.000 0.000 0.200 77 L C 0.646 177.544 176.870 0.047 0.000 1.110 77 L CA 1.128 55.991 54.840 0.038 0.000 0.774 77 L CB 0.017 42.117 42.059 0.068 0.000 0.934 77 L HN 0.133 nan 8.230 nan 0.000 0.456 78 M N 1.398 121.023 119.600 0.042 0.000 3.268 78 M HA 0.211 4.691 4.480 0.000 0.000 0.249 78 M C 0.624 176.934 176.300 0.016 0.000 1.527 78 M CA -0.763 54.563 55.300 0.043 0.000 1.645 78 M CB -0.994 31.636 32.600 0.050 0.000 1.193 78 M HN 0.209 nan 8.290 nan 0.000 0.534 79 G N 3.106 111.908 108.800 0.004 0.000 2.384 79 G HA2 0.203 4.164 3.960 0.000 0.000 0.289 79 G HA3 0.203 4.164 3.960 0.000 0.000 0.289 79 G C 0.354 175.253 174.900 -0.002 0.000 0.823 79 G CA 0.848 45.942 45.100 -0.009 0.000 1.740 79 G HN 0.795 nan 8.290 nan 0.000 0.422 80 T N -1.804 112.750 114.554 0.000 0.000 2.652 80 T HA 0.204 4.554 4.350 0.000 0.000 0.220 80 T C -0.477 174.231 174.700 0.013 0.000 2.326 80 T CA -0.379 61.726 62.100 0.008 0.000 0.968 80 T CB 0.130 69.007 68.868 0.016 0.000 2.427 80 T HN 0.640 nan 8.240 nan 0.000 0.334 81 S N 1.145 116.857 115.700 0.020 0.000 2.482 81 S HA 0.652 5.122 4.470 0.000 0.000 0.303 81 S C -0.994 173.623 174.600 0.029 0.000 1.091 81 S CA -0.857 57.357 58.200 0.023 0.000 1.057 81 S CB 1.564 64.777 63.200 0.023 0.000 1.031 81 S HN 0.596 nan 8.310 nan 0.000 0.485 82 Q N 2.171 121.987 119.800 0.027 0.000 2.636 82 Q HA 0.335 4.675 4.340 0.000 0.000 0.233 82 Q C 0.584 176.573 176.000 -0.020 0.000 1.143 82 Q CA -0.266 55.550 55.803 0.023 0.000 0.969 82 Q CB 0.632 29.390 28.738 0.034 0.000 1.185 82 Q HN 0.872 nan 8.270 nan 0.000 0.546 83 G N -0.197 108.584 108.800 -0.031 0.000 2.732 83 G HA2 0.284 4.244 3.960 0.000 0.000 0.244 83 G HA3 0.284 4.244 3.960 0.000 0.000 0.244 83 G C 1.021 175.619 174.900 -0.502 0.000 1.226 83 G CA 0.335 45.363 45.100 -0.120 0.000 0.860 83 G HN 0.711 nan 8.290 nan 0.000 0.583 84 G N -0.493 107.895 108.800 -0.687 0.000 2.353 84 G HA2 -0.356 3.604 3.960 0.000 0.000 0.258 84 G HA3 -0.356 3.604 3.960 0.000 0.000 0.258 84 G C 0.759 175.411 174.900 -0.413 0.000 1.013 84 G CA 1.061 45.413 45.100 -1.248 0.000 0.622 84 G HN 0.909 nan 8.290 nan 0.000 0.535 85 M N -0.124 119.392 119.600 -0.141 0.000 2.226 85 M HA 0.528 5.009 4.480 0.000 0.000 0.324 85 M C -0.781 175.825 176.300 0.510 0.000 1.112 85 M CA -0.232 55.166 55.300 0.163 0.000 1.176 85 M CB 0.344 33.009 32.600 0.108 0.000 1.430 85 M HN 0.164 nan 8.290 nan 0.000 0.462 86 W N 3.885 125.306 121.300 0.201 0.000 2.466 86 W HA 0.462 5.122 4.660 0.000 0.000 0.303 86 W C -1.552 174.976 176.519 0.016 0.000 0.999 86 W CA -0.785 56.614 57.345 0.090 0.000 1.437 86 W CB 1.187 30.642 29.460 -0.008 0.000 1.274 86 W HN 0.214 nan 8.180 nan 0.000 0.417 87 V N 4.473 124.484 119.914 0.162 0.000 2.239 87 V HA 0.808 4.928 4.120 0.000 0.000 0.267 87 V C 0.445 176.542 176.094 0.004 0.000 1.056 87 V CA -0.269 62.074 62.300 0.073 0.000 0.830 87 V CB 0.399 32.263 31.823 0.069 0.000 1.090 87 V HN 0.502 nan 8.190 nan 0.000 0.459 88 G N 2.721 111.500 108.800 -0.036 0.000 2.975 88 G HA2 0.702 4.662 3.960 0.000 0.000 0.291 88 G HA3 0.702 4.662 3.960 0.000 0.000 0.291 88 G C -0.302 174.528 174.900 -0.118 0.000 1.334 88 G CA -0.015 45.038 45.100 -0.078 0.000 0.843 88 G HN 0.502 nan 8.290 nan 0.000 0.548 89 T N -2.083 112.397 114.554 -0.124 0.000 2.927 89 T HA 0.455 4.805 4.350 0.000 0.000 0.281 89 T C 0.838 175.387 174.700 -0.250 0.000 0.998 89 T CA -0.435 61.564 62.100 -0.167 0.000 1.019 89 T CB 1.256 70.077 68.868 -0.078 0.000 1.061 89 T HN 0.190 nan 8.240 nan 0.000 0.518 90 F N 0.364 120.052 119.950 -0.437 0.000 2.161 90 F HA -0.142 4.385 4.527 0.000 0.000 0.300 90 F C 2.792 178.225 175.800 -0.612 0.000 1.089 90 F CA 1.699 59.345 58.000 -0.589 0.000 1.282 90 F CB -0.449 38.037 39.000 -0.856 0.000 1.010 90 F HN 0.684 nan 8.300 nan 0.000 0.485 91 H N -0.865 118.105 119.070 -0.166 0.000 2.261 91 H HA -0.034 4.522 4.556 0.000 0.000 0.301 91 H C 2.589 177.848 175.328 -0.115 0.000 1.067 91 H CA 1.418 57.363 56.048 -0.173 0.000 1.297 91 H CB -1.243 28.410 29.762 -0.183 0.000 1.377 91 H HN 0.293 nan 8.280 nan 0.000 0.492 92 G N 1.220 110.042 108.800 0.036 0.000 2.469 92 G HA2 -0.199 3.761 3.960 0.000 0.000 0.220 92 G HA3 -0.199 3.761 3.960 0.000 0.000 0.220 92 G C 1.934 176.812 174.900 -0.037 0.000 1.136 92 G CA 0.818 45.936 45.100 0.029 0.000 0.759 92 G HN 0.233 nan 8.290 nan 0.000 0.562 93 L N 0.320 121.465 121.223 -0.130 0.000 2.072 93 L HA 0.027 4.367 4.340 0.000 0.000 0.205 93 L C 3.394 180.183 176.870 -0.134 0.000 1.079 93 L CA 0.923 55.646 54.840 -0.195 0.000 0.752 93 L CB -0.532 41.482 42.059 -0.076 0.000 0.906 93 L HN 0.303 nan 8.230 nan 0.000 0.436 94 A N -0.831 121.877 122.820 -0.187 0.000 1.933 94 A HA -0.264 4.056 4.320 0.000 0.000 0.218 94 A C 2.220 179.778 177.584 -0.043 0.000 1.175 94 A CA 1.572 53.471 52.037 -0.229 0.000 0.628 94 A CB -0.966 17.797 19.000 -0.395 0.000 0.814 94 A HN 0.512 nan 8.150 nan 0.000 0.444 95 H N -0.540 118.481 119.070 -0.082 0.000 2.253 95 H HA -0.231 4.325 4.556 0.000 0.000 0.296 95 H C 2.410 177.751 175.328 0.021 0.000 1.074 95 H CA 1.990 58.056 56.048 0.029 0.000 1.263 95 H CB -0.071 29.718 29.762 0.045 0.000 1.363 95 H HN 0.385 nan 8.280 nan 0.000 0.489 96 R N 0.549 120.958 120.500 -0.153 0.000 2.159 96 R HA -0.207 4.133 4.340 0.000 0.000 0.252 96 R C 2.718 178.943 176.300 -0.125 0.000 1.144 96 R CA 2.104 58.034 56.100 -0.284 0.000 0.961 96 R CB -0.670 29.316 30.300 -0.523 0.000 0.877 96 R HN 0.420 nan 8.270 nan 0.000 0.444 97 L N -0.451 120.762 121.223 -0.017 0.000 1.988 97 L HA -0.173 4.167 4.340 0.000 0.000 0.207 97 L C 2.496 179.443 176.870 0.130 0.000 1.071 97 L CA 1.475 56.394 54.840 0.131 0.000 0.744 97 L CB -0.650 41.478 42.059 0.114 0.000 0.893 97 L HN 0.226 nan 8.230 nan 0.000 0.433 98 L N -0.512 120.773 121.223 0.103 0.000 2.051 98 L HA -0.246 4.094 4.340 0.000 0.000 0.214 98 L C 3.007 180.070 176.870 0.321 0.000 1.076 98 L CA 1.147 56.093 54.840 0.176 0.000 0.758 98 L CB -0.593 41.525 42.059 0.098 0.000 0.890 98 L HN 0.290 nan 8.230 nan 0.000 0.433 99 R N -0.205 120.411 120.500 0.193 0.000 2.092 99 R HA -0.061 4.280 4.340 0.000 0.000 0.231 99 R C 2.259 178.604 176.300 0.075 0.000 1.119 99 R CA 1.417 57.546 56.100 0.049 0.000 0.970 99 R CB -0.830 29.306 30.300 -0.274 0.000 0.864 99 R HN 0.394 nan 8.270 nan 0.000 0.440 100 A N 1.178 124.021 122.820 0.038 0.000 1.832 100 A HA -0.119 4.202 4.320 0.000 0.000 0.214 100 A C 1.262 178.873 177.584 0.044 0.000 1.200 100 A CA 1.070 53.088 52.037 -0.031 0.000 0.610 100 A CB -0.571 18.305 19.000 -0.207 0.000 0.842 100 A HN 0.326 nan 8.150 nan 0.000 0.444 101 H N 0.286 119.511 119.070 0.258 0.000 2.660 101 H HA 0.065 4.621 4.556 0.000 0.000 0.310 101 H C 1.407 176.794 175.328 0.097 0.000 1.080 101 H CA 0.501 56.643 56.048 0.157 0.000 1.145 101 H CB -0.538 29.317 29.762 0.155 0.000 1.432 101 H HN 0.832 nan 8.280 nan 0.000 0.542 102 H N -0.330 118.851 119.070 0.184 0.000 2.292 102 H HA -0.197 4.360 4.556 0.000 0.000 0.292 102 H C 1.733 177.152 175.328 0.152 0.000 1.100 102 H CA 0.987 57.150 56.048 0.191 0.000 1.238 102 H CB -0.291 29.600 29.762 0.216 0.000 1.355 102 H HN 0.169 nan 8.280 nan 0.000 0.484 103 M N 1.510 120.729 119.600 -0.636 0.000 2.255 103 M HA -0.190 4.291 4.480 0.000 0.000 0.260 103 M C 2.026 178.285 176.300 -0.067 0.000 1.069 103 M CA 1.740 56.854 55.300 -0.309 0.000 1.089 103 M CB -0.937 31.463 32.600 -0.333 0.000 1.269 103 M HN 0.305 nan 8.290 nan 0.000 0.434 104 D N 0.294 120.688 120.400 -0.010 0.000 2.160 104 D HA -0.186 4.454 4.640 0.000 0.000 0.189 104 D C 1.658 177.989 176.300 0.050 0.000 1.003 104 D CA 2.109 56.143 54.000 0.056 0.000 0.846 104 D CB -0.404 40.461 40.800 0.108 0.000 0.949 104 D HN 0.465 nan 8.370 nan 0.000 0.446 105 A N 0.037 122.891 122.820 0.057 0.000 2.239 105 A HA -0.096 4.224 4.320 0.000 0.000 0.209 105 A C 0.461 178.057 177.584 0.020 0.000 1.171 105 A CA 0.227 52.283 52.037 0.033 0.000 0.768 105 A CB -0.257 18.756 19.000 0.022 0.000 0.790 105 A HN 0.247 nan 8.150 nan 0.000 0.478 106 N N -0.858 117.860 118.700 0.031 0.000 2.725 106 N HA -0.113 4.627 4.740 0.000 0.000 0.256 106 N C -1.168 174.367 175.510 0.041 0.000 1.087 106 N CA 0.926 53.995 53.050 0.031 0.000 0.690 106 N CB -1.292 37.206 38.487 0.018 0.000 0.891 106 N HN 0.513 nan 8.380 nan 0.000 0.553 107 L N 0.832 122.117 121.223 0.104 0.000 2.505 107 L HA 0.484 4.825 4.340 0.000 0.000 0.266 107 L C -2.164 174.894 176.870 0.313 0.000 0.954 107 L CA -1.427 53.513 54.840 0.167 0.000 0.852 107 L CB 2.589 44.718 42.059 0.117 0.000 1.282 107 L HN -0.058 nan 8.230 nan 0.000 0.403 108 P HA -0.060 nan 4.420 nan 0.000 0.268 108 P C -0.018 177.415 177.300 0.222 0.000 1.205 108 P CA -0.052 63.182 63.100 0.223 0.000 0.771 108 P CB 1.072 32.849 31.700 0.128 0.000 0.858 109 Q N 1.494 121.327 119.800 0.055 0.000 2.368 109 Q HA -0.180 4.160 4.340 0.000 0.000 0.210 109 Q C -0.078 175.710 176.000 -0.353 0.000 0.982 109 Q CA 1.470 57.075 55.803 -0.329 0.000 0.884 109 Q CB 0.030 28.438 28.738 -0.550 0.000 0.933 109 Q HN 0.412 nan 8.270 nan 0.000 0.460 110 D N 0.327 120.594 120.400 -0.221 0.000 2.501 110 D HA 0.080 4.720 4.640 0.000 0.000 0.226 110 D C -0.014 176.149 176.300 -0.228 0.000 1.198 110 D CA -0.286 53.554 54.000 -0.266 0.000 0.830 110 D CB -0.328 40.382 40.800 -0.150 0.000 1.014 110 D HN 0.159 nan 8.370 nan 0.000 0.496 111 F N 1.213 121.152 119.950 -0.018 0.000 2.657 111 F HA 0.230 4.757 4.527 0.000 0.000 0.347 111 F C 0.551 176.331 175.800 -0.033 0.000 1.180 111 F CA -0.723 57.262 58.000 -0.024 0.000 1.383 111 F CB 0.166 39.161 39.000 -0.008 0.000 1.077 111 F HN -0.268 nan 8.300 nan 0.000 0.622 112 Q N 1.695 121.643 119.800 0.248 0.000 2.342 112 Q HA 0.568 4.909 4.340 0.000 0.000 0.267 112 Q C -1.437 174.618 176.000 0.092 0.000 1.038 112 Q CA -0.799 55.068 55.803 0.107 0.000 0.832 112 Q CB 1.448 30.185 28.738 -0.002 0.000 1.323 112 Q HN 0.633 nan 8.270 nan 0.000 0.448 113 I N 3.605 124.177 120.570 0.004 0.000 2.363 113 I HA 0.142 4.312 4.170 0.000 0.000 0.292 113 I C -0.418 175.541 176.117 -0.263 0.000 1.075 113 I CA -0.218 60.999 61.300 -0.140 0.000 1.333 113 I CB 0.234 38.125 38.000 -0.182 0.000 1.415 113 I HN 0.533 nan 8.210 nan 0.000 0.502 114 L N 8.014 129.057 121.223 -0.299 0.000 2.407 114 L HA 0.169 4.509 4.340 0.000 0.000 0.282 114 L C 0.487 177.050 176.870 -0.513 0.000 1.110 114 L CA 0.103 54.770 54.840 -0.289 0.000 0.863 114 L CB -0.389 41.556 42.059 -0.190 0.000 1.207 114 L HN 0.678 nan 8.230 nan 0.000 0.454 115 D N 1.688 121.817 120.400 -0.451 0.000 2.398 115 D HA 0.065 4.705 4.640 0.000 0.000 0.264 115 D C 1.050 177.211 176.300 -0.232 0.000 1.263 115 D CA -0.213 53.462 54.000 -0.541 0.000 1.037 115 D CB 0.362 41.053 40.800 -0.181 0.000 1.101 115 D HN 0.342 nan 8.370 nan 0.000 0.551 116 S N -0.913 114.786 115.700 -0.002 0.000 2.398 116 S HA -0.254 4.216 4.470 0.000 0.000 0.220 116 S C 1.615 176.231 174.600 0.026 0.000 1.038 116 S CA 1.730 59.967 58.200 0.061 0.000 1.080 116 S CB -0.595 62.683 63.200 0.130 0.000 1.039 116 S HN 0.710 nan 8.310 nan 0.000 0.419 117 E N 0.726 120.945 120.200 0.033 0.000 2.065 117 E HA -0.271 4.079 4.350 0.000 0.000 0.201 117 E C 1.556 178.164 176.600 0.013 0.000 1.016 117 E CA 1.872 58.288 56.400 0.026 0.000 0.818 117 E CB -0.279 29.436 29.700 0.024 0.000 0.749 117 E HN 0.419 nan 8.360 nan 0.000 0.453 118 D N 0.097 120.491 120.400 -0.010 0.000 2.106 118 D HA -0.258 4.382 4.640 0.000 0.000 0.191 118 D C 2.036 178.343 176.300 0.012 0.000 0.997 118 D CA 1.675 55.667 54.000 -0.014 0.000 0.834 118 D CB -0.560 40.209 40.800 -0.052 0.000 0.956 118 D HN 0.422 nan 8.370 nan 0.000 0.448 119 Q N 0.196 119.999 119.800 0.006 0.000 2.096 119 Q HA -0.192 4.148 4.340 0.000 0.000 0.204 119 Q C 2.279 178.325 176.000 0.076 0.000 0.982 119 Q CA 1.142 56.989 55.803 0.074 0.000 0.850 119 Q CB -0.229 28.535 28.738 0.044 0.000 0.901 119 Q HN 0.192 nan 8.270 nan 0.000 0.422 120 L N 0.911 122.160 121.223 0.044 0.000 2.012 120 L HA -0.171 4.169 4.340 0.000 0.000 0.210 120 L C 2.261 179.167 176.870 0.060 0.000 1.073 120 L CA 1.857 56.726 54.840 0.048 0.000 0.748 120 L CB -0.564 41.523 42.059 0.047 0.000 0.891 120 L HN 0.176 nan 8.230 nan 0.000 0.431 121 R N -0.841 119.690 120.500 0.052 0.000 2.070 121 R HA -0.162 4.178 4.340 0.000 0.000 0.232 121 R C 2.163 178.501 176.300 0.064 0.000 1.138 121 R CA 1.581 57.712 56.100 0.051 0.000 0.936 121 R CB -1.101 29.221 30.300 0.037 0.000 0.839 121 R HN 0.343 nan 8.270 nan 0.000 0.429 122 L N 1.548 122.814 121.223 0.072 0.000 2.270 122 L HA -0.173 4.167 4.340 0.000 0.000 0.217 122 L C 1.728 178.674 176.870 0.126 0.000 1.107 122 L CA 1.575 56.466 54.840 0.086 0.000 0.772 122 L CB -0.379 41.733 42.059 0.088 0.000 0.902 122 L HN 0.203 nan 8.230 nan 0.000 0.439 123 L N -1.032 120.269 121.223 0.130 0.000 2.084 123 L HA -0.129 4.211 4.340 0.000 0.000 0.202 123 L C 2.577 179.511 176.870 0.108 0.000 1.074 123 L CA 1.185 56.100 54.840 0.126 0.000 0.757 123 L CB -0.510 41.596 42.059 0.079 0.000 0.918 123 L HN 0.258 nan 8.230 nan 0.000 0.444 124 K N 0.622 121.077 120.400 0.092 0.000 2.074 124 K HA -0.281 4.039 4.320 0.000 0.000 0.209 124 K C 2.295 178.937 176.600 0.069 0.000 1.048 124 K CA 1.694 58.031 56.287 0.084 0.000 0.926 124 K CB -0.097 32.443 32.500 0.067 0.000 0.713 124 K HN 0.133 nan 8.250 nan 0.000 0.444 125 R N 0.753 121.289 120.500 0.060 0.000 2.073 125 R HA -0.120 4.221 4.340 0.000 0.000 0.234 125 R C 2.390 178.715 176.300 0.041 0.000 1.134 125 R CA 1.456 57.582 56.100 0.043 0.000 0.952 125 R CB -0.306 30.015 30.300 0.035 0.000 0.850 125 R HN 0.261 nan 8.270 nan 0.000 0.433 126 L N 0.468 121.725 121.223 0.057 0.000 2.056 126 L HA -0.182 4.159 4.340 0.000 0.000 0.207 126 L C 2.573 179.468 176.870 0.043 0.000 1.078 126 L CA 0.855 55.726 54.840 0.051 0.000 0.749 126 L CB -0.419 41.690 42.059 0.082 0.000 0.901 126 L HN 0.238 nan 8.230 nan 0.000 0.433 127 I N 0.355 120.963 120.570 0.064 0.000 2.145 127 I HA -0.364 3.807 4.170 0.000 0.000 0.244 127 I C 2.739 178.869 176.117 0.022 0.000 1.075 127 I CA 1.516 62.845 61.300 0.049 0.000 1.332 127 I CB -0.347 37.716 38.000 0.106 0.000 1.033 127 I HN -0.003 nan 8.210 nan 0.000 0.410 128 K N -0.119 120.302 120.400 0.034 0.000 2.097 128 K HA 0.033 4.354 4.320 0.000 0.000 0.206 128 K C 2.034 178.637 176.600 0.005 0.000 1.049 128 K CA 0.954 57.254 56.287 0.022 0.000 0.933 128 K CB -1.176 31.340 32.500 0.026 0.000 0.717 128 K HN 0.573 nan 8.250 nan 0.000 0.442 129 A N -0.469 122.352 122.820 0.001 0.000 2.277 129 A HA 0.068 4.389 4.320 0.000 0.000 0.208 129 A C 1.401 178.972 177.584 -0.020 0.000 1.202 129 A CA 1.300 53.331 52.037 -0.009 0.000 0.762 129 A CB -0.637 18.357 19.000 -0.009 0.000 0.770 129 A HN 0.467 nan 8.150 nan 0.000 0.487 130 M N -2.770 116.813 119.600 -0.028 0.000 2.120 130 M HA 0.254 4.734 4.480 0.000 0.000 0.376 130 M C 1.353 177.619 176.300 -0.057 0.000 2.204 130 M CA 0.366 55.635 55.300 -0.052 0.000 1.494 130 M CB -0.317 32.234 32.600 -0.082 0.000 2.730 130 M HN 0.172 nan 8.290 nan 0.000 0.880 131 N N 1.407 120.048 118.700 -0.099 0.000 2.251 131 N HA 0.552 5.292 4.740 0.000 0.000 0.262 131 N C -0.430 175.086 175.510 0.009 0.000 1.276 131 N CA 0.360 53.359 53.050 -0.084 0.000 0.897 131 N CB -0.561 37.781 38.487 -0.241 0.000 1.005 131 N HN 0.376 nan 8.380 nan 0.000 0.464 132 L N 0.398 121.678 121.223 0.095 0.000 2.377 132 L HA 0.282 4.622 4.340 0.000 0.000 0.270 132 L C 0.590 177.580 176.870 0.199 0.000 0.991 132 L CA -0.467 54.443 54.840 0.116 0.000 0.851 132 L CB 1.622 43.734 42.059 0.088 0.000 1.218 132 L HN 0.964 nan 8.230 nan 0.000 0.420 133 D N 1.651 122.146 120.400 0.159 0.000 2.123 133 D HA -0.216 4.424 4.640 0.000 0.000 0.196 133 D C 1.005 177.363 176.300 0.096 0.000 0.992 133 D CA 1.382 55.489 54.000 0.178 0.000 0.833 133 D CB 0.165 41.049 40.800 0.140 0.000 0.954 133 D HN 0.580 nan 8.370 nan 0.000 0.455 134 E N 0.181 120.414 120.200 0.055 0.000 2.704 134 E HA 0.097 4.447 4.350 0.000 0.000 0.232 134 E C 1.407 177.987 176.600 -0.032 0.000 0.862 134 E CA 1.783 58.190 56.400 0.011 0.000 0.862 134 E CB -2.198 27.505 29.700 0.006 0.000 0.938 134 E HN 0.906 nan 8.360 nan 0.000 0.430 135 K N 0.074 120.455 120.400 -0.033 0.000 3.870 135 K HA -0.464 3.856 4.320 0.000 0.000 0.370 135 K C 1.918 178.409 176.600 -0.182 0.000 0.607 135 K CA 2.569 58.809 56.287 -0.077 0.000 1.617 135 K CB -2.194 30.256 32.500 -0.082 0.000 1.221 135 K HN 0.795 nan 8.250 nan 0.000 0.485 136 Q N -2.222 117.422 119.800 -0.260 0.000 2.112 136 Q HA -0.068 4.273 4.340 0.000 0.000 0.206 136 Q C 0.542 175.831 176.000 -1.184 0.000 0.987 136 Q CA 2.012 57.418 55.803 -0.662 0.000 0.858 136 Q CB -0.018 28.437 28.738 -0.471 0.000 0.905 136 Q HN 0.943 nan 8.270 nan 0.000 0.420 137 W N 0.296 121.580 121.300 -0.027 0.000 1.375 137 W HA 0.292 4.952 4.660 0.000 0.000 0.310 137 W C -2.366 174.238 176.519 0.141 0.000 0.887 137 W CA -1.813 55.520 57.345 -0.020 0.000 1.672 137 W CB 0.679 29.990 29.460 -0.248 0.000 1.824 137 W HN -0.077 nan 8.180 nan 0.000 0.448 138 P HA -0.060 nan 4.420 nan 0.000 0.269 138 P C -1.517 175.967 177.300 0.306 0.000 1.211 138 P CA -0.176 63.056 63.100 0.221 0.000 0.781 138 P CB 1.399 33.181 31.700 0.137 0.000 0.877 139 P HA -0.077 nan 4.420 nan 0.000 0.218 139 P C 1.521 178.924 177.300 0.171 0.000 1.152 139 P CA 1.333 64.552 63.100 0.199 0.000 0.826 139 P CB 0.140 31.918 31.700 0.130 0.000 0.790 140 R N 0.058 120.635 120.500 0.129 0.000 2.094 140 R HA -0.186 4.154 4.340 0.000 0.000 0.239 140 R C 2.561 178.927 176.300 0.109 0.000 1.137 140 R CA 1.801 57.962 56.100 0.101 0.000 0.943 140 R CB -1.087 29.252 30.300 0.064 0.000 0.850 140 R HN 0.182 nan 8.270 nan 0.000 0.433 141 Q N 0.379 120.231 119.800 0.087 0.000 2.181 141 Q HA -0.103 4.238 4.340 0.000 0.000 0.205 141 Q C 1.870 177.759 176.000 -0.185 0.000 0.980 141 Q CA 1.922 57.711 55.803 -0.023 0.000 0.862 141 Q CB -0.246 28.473 28.738 -0.032 0.000 0.905 141 Q HN 0.397 nan 8.270 nan 0.000 0.429 142 A N -0.074 122.718 122.820 -0.047 0.000 1.873 142 A HA -0.190 4.130 4.320 0.000 0.000 0.215 142 A C 2.109 179.712 177.584 0.032 0.000 1.186 142 A CA 1.586 53.645 52.037 0.036 0.000 0.616 142 A CB -0.648 18.621 19.000 0.449 0.000 0.823 142 A HN 0.562 nan 8.150 nan 0.000 0.442 143 M N -1.947 117.678 119.600 0.040 0.000 2.065 143 M HA -0.204 4.277 4.480 0.000 0.000 0.259 143 M C 2.036 178.341 176.300 0.007 0.000 1.071 143 M CA 2.445 57.731 55.300 -0.024 0.000 1.109 143 M CB -0.320 32.298 32.600 0.029 0.000 1.313 143 M HN 0.641 nan 8.290 nan 0.000 0.408 144 W N 0.185 121.435 121.300 -0.083 0.000 2.292 144 W HA -0.355 4.305 4.660 0.000 0.000 0.330 144 W C 2.283 178.751 176.519 -0.085 0.000 1.264 144 W CA 2.707 60.012 57.345 -0.067 0.000 1.235 144 W CB -1.373 28.051 29.460 -0.061 0.000 1.164 144 W HN 0.452 nan 8.180 nan 0.000 0.461 145 Y N 0.666 120.956 120.300 -0.016 0.000 2.133 145 Y HA -0.373 4.177 4.550 0.000 0.000 0.279 145 Y C 2.185 177.965 175.900 -0.200 0.000 1.209 145 Y CA 2.723 60.707 58.100 -0.193 0.000 1.152 145 Y CB -0.885 37.358 38.460 -0.362 0.000 0.961 145 Y HN 0.090 nan 8.280 nan 0.000 0.512 146 I N -0.067 120.359 120.570 -0.240 0.000 2.233 146 I HA -0.319 3.851 4.170 0.000 0.000 0.243 146 I C 2.100 178.076 176.117 -0.235 0.000 1.093 146 I CA 1.768 62.962 61.300 -0.175 0.000 1.380 146 I CB -0.605 37.292 38.000 -0.172 0.000 1.067 146 I HN 0.317 nan 8.210 nan 0.000 0.413 147 N N 0.533 119.063 118.700 -0.284 0.000 2.069 147 N HA -0.174 4.566 4.740 0.000 0.000 0.191 147 N C 1.909 177.192 175.510 -0.378 0.000 1.031 147 N CA 1.587 54.474 53.050 -0.272 0.000 0.852 147 N CB -0.103 38.235 38.487 -0.248 0.000 1.018 147 N HN 0.182 nan 8.380 nan 0.000 0.423 148 S N 0.744 116.074 115.700 -0.616 0.000 2.392 148 S HA -0.235 4.235 4.470 0.000 0.000 0.232 148 S C 1.908 176.230 174.600 -0.463 0.000 1.041 148 S CA 1.290 59.073 58.200 -0.694 0.000 1.026 148 S CB -0.288 62.271 63.200 -1.069 0.000 0.845 148 S HN 0.312 nan 8.310 nan 0.000 0.465 149 Q N 0.962 120.484 119.800 -0.464 0.000 2.049 149 Q HA 0.081 4.421 4.340 0.000 0.000 0.198 149 Q C 2.026 177.886 176.000 -0.233 0.000 0.971 149 Q CA 1.304 56.875 55.803 -0.386 0.000 0.833 149 Q CB -0.058 28.369 28.738 -0.517 0.000 0.896 149 Q HN 0.433 nan 8.270 nan 0.000 0.434 150 K N 0.044 120.350 120.400 -0.157 0.000 2.211 150 K HA -0.118 4.203 4.320 0.000 0.000 0.203 150 K C 1.248 177.768 176.600 -0.134 0.000 1.050 150 K CA 1.335 57.562 56.287 -0.101 0.000 0.945 150 K CB 0.014 32.479 32.500 -0.057 0.000 0.732 150 K HN 0.233 nan 8.250 nan 0.000 0.451 151 D N 0.771 121.065 120.400 -0.178 0.000 2.310 151 D HA -0.097 4.543 4.640 0.000 0.000 0.212 151 D C 1.161 177.372 176.300 -0.150 0.000 0.965 151 D CA 0.868 54.761 54.000 -0.178 0.000 0.879 151 D CB 0.255 40.927 40.800 -0.213 0.000 0.921 151 D HN 0.114 nan 8.370 nan 0.000 0.510 152 E N -0.790 119.324 120.200 -0.144 0.000 2.526 152 E HA 0.182 4.532 4.350 0.000 0.000 0.208 152 E C 0.963 177.523 176.600 -0.067 0.000 0.997 152 E CA 0.046 56.384 56.400 -0.103 0.000 0.961 152 E CB 0.929 30.558 29.700 -0.118 0.000 1.030 152 E HN 0.162 nan 8.360 nan 0.000 0.483 153 G N 2.077 110.833 108.800 -0.073 0.000 2.295 153 G HA2 -0.281 3.680 3.960 0.000 0.000 0.287 153 G HA3 -0.281 3.680 3.960 0.000 0.000 0.287 153 G C 0.033 174.876 174.900 -0.095 0.000 1.055 153 G CA 0.279 45.358 45.100 -0.035 0.000 0.922 153 G HN 0.208 nan 8.290 nan 0.000 0.503 154 L N -0.208 120.901 121.223 -0.191 0.000 2.316 154 L HA 0.538 4.878 4.340 0.000 0.000 0.280 154 L C 0.834 177.390 176.870 -0.524 0.000 1.006 154 L CA -1.224 53.416 54.840 -0.335 0.000 0.836 154 L CB 1.256 43.186 42.059 -0.215 0.000 1.221 154 L HN 0.168 nan 8.230 nan 0.000 0.418 155 R N 5.370 125.351 120.500 -0.866 0.000 2.652 155 R HA 0.299 4.640 4.340 0.000 0.000 0.272 155 R C -1.461 174.594 176.300 -0.409 0.000 1.162 155 R CA -1.336 54.487 56.100 -0.461 0.000 1.199 155 R CB 0.211 30.229 30.300 -0.470 0.000 1.166 155 R HN 0.204 nan 8.270 nan 0.000 0.597 156 P HA -0.172 nan 4.420 nan 0.000 0.210 156 P C -0.107 177.252 177.300 0.099 0.000 1.185 156 P CA 1.580 64.699 63.100 0.032 0.000 0.924 156 P CB -0.525 31.418 31.700 0.406 0.000 0.786 157 H N -0.848 118.300 119.070 0.130 0.000 3.981 157 H HA 0.142 4.698 4.556 0.000 0.000 0.208 157 H C 0.065 175.565 175.328 0.286 0.000 1.611 157 H CA 0.418 56.562 56.048 0.160 0.000 1.470 157 H CB -0.877 28.968 29.762 0.138 0.000 1.777 157 H HN 0.311 nan 8.280 nan 0.000 0.727 158 H N 2.308 121.286 119.070 -0.153 0.000 2.039 158 H HA 0.287 4.844 4.556 0.000 0.000 0.141 158 H C 1.118 176.397 175.328 -0.082 0.000 1.103 158 H CA 0.979 56.925 56.048 -0.170 0.000 1.115 158 H CB -0.077 29.551 29.762 -0.223 0.000 0.802 158 H HN 0.448 nan 8.280 nan 0.000 0.282 159 I N 2.338 122.948 120.570 0.067 0.000 2.453 159 I HA 0.577 4.747 4.170 0.000 0.000 0.300 159 I C 0.720 176.873 176.117 0.060 0.000 1.159 159 I CA 0.476 61.803 61.300 0.045 0.000 1.379 159 I CB -1.705 36.315 38.000 0.034 0.000 1.460 159 I HN 0.468 nan 8.210 nan 0.000 0.601 160 Q N 3.401 123.230 119.800 0.048 0.000 2.312 160 Q HA 0.837 5.177 4.340 0.000 0.000 0.236 160 Q C 0.427 176.461 176.000 0.058 0.000 0.965 160 Q CA 0.224 56.058 55.803 0.052 0.000 0.894 160 Q CB 1.398 30.157 28.738 0.036 0.000 1.225 160 Q HN 2.125 nan 8.270 nan 0.000 0.478 161 S N -1.528 114.207 115.700 0.058 0.000 2.872 161 S HA 0.665 5.135 4.470 0.000 0.000 0.289 161 S C -1.000 173.631 174.600 0.052 0.000 1.245 161 S CA 0.956 59.191 58.200 0.059 0.000 1.270 161 S CB -0.276 62.970 63.200 0.077 0.000 1.344 161 S HN 2.509 nan 8.310 nan 0.000 0.438 162 Y N -3.295 117.038 120.300 0.054 0.000 2.848 162 Y HA 0.317 4.868 4.550 0.000 0.000 0.385 162 Y C 1.197 177.122 175.900 0.043 0.000 1.312 162 Y CA -0.193 57.933 58.100 0.044 0.000 1.063 162 Y CB -1.557 36.923 38.460 0.035 0.000 3.475 162 Y HN 2.663 nan 8.280 nan 0.000 0.305 163 G N 0.344 109.165 108.800 0.035 0.000 2.284 163 G HA2 -0.083 3.877 3.960 0.000 0.000 0.261 163 G HA3 -0.083 3.877 3.960 0.000 0.000 0.261 163 G C 0.137 175.061 174.900 0.039 0.000 0.997 163 G CA 1.170 46.291 45.100 0.033 0.000 0.621 163 G HN 2.654 nan 8.290 nan 0.000 0.534 164 N N -0.721 118.008 118.700 0.048 0.000 2.609 164 N HA 0.638 5.378 4.740 0.000 0.000 0.268 164 N C -1.409 174.138 175.510 0.061 0.000 1.106 164 N CA -0.659 52.427 53.050 0.060 0.000 0.823 164 N CB 1.985 40.516 38.487 0.074 0.000 1.263 164 N HN 0.204 nan 8.380 nan 0.000 0.533 165 P HA -0.030 nan 4.420 nan 0.000 0.233 165 P C 1.529 178.857 177.300 0.047 0.000 1.167 165 P CA 0.290 63.403 63.100 0.022 0.000 0.770 165 P CB 0.047 31.751 31.700 0.007 0.000 0.837 166 V N 0.759 120.746 119.914 0.121 0.000 2.370 166 V HA -0.286 3.834 4.120 0.000 0.000 0.252 166 V C 2.971 179.214 176.094 0.249 0.000 1.068 166 V CA 2.867 65.299 62.300 0.219 0.000 1.061 166 V CB -1.920 30.009 31.823 0.177 0.000 0.656 166 V HN 0.292 nan 8.190 nan 0.000 0.455 167 E N -1.223 119.081 120.200 0.174 0.000 2.094 167 E HA -0.111 4.239 4.350 0.000 0.000 0.193 167 E C 2.029 178.675 176.600 0.076 0.000 0.950 167 E CA 0.565 57.074 56.400 0.181 0.000 0.842 167 E CB -0.633 29.154 29.700 0.144 0.000 0.816 167 E HN 0.521 nan 8.360 nan 0.000 0.465 168 Q N 0.653 120.477 119.800 0.039 0.000 2.156 168 Q HA -0.187 4.153 4.340 0.000 0.000 0.211 168 Q C 2.385 178.337 176.000 -0.081 0.000 0.995 168 Q CA 2.286 58.093 55.803 0.005 0.000 0.877 168 Q CB -1.382 27.353 28.738 -0.004 0.000 0.920 168 Q HN 0.618 nan 8.270 nan 0.000 0.416 169 T N 0.264 114.675 114.554 -0.237 0.000 2.570 169 T HA -0.232 4.118 4.350 0.000 0.000 0.266 169 T C 1.526 175.986 174.700 -0.401 0.000 1.071 169 T CA 1.894 63.678 62.100 -0.527 0.000 1.172 169 T CB -0.621 67.563 68.868 -1.140 0.000 0.864 169 T HN 0.489 nan 8.240 nan 0.000 0.421 170 W N 1.374 122.504 121.300 -0.283 0.000 2.317 170 W HA -0.172 4.488 4.660 0.000 0.000 0.318 170 W C 2.912 179.433 176.519 0.003 0.000 1.227 170 W CA 0.613 57.825 57.345 -0.221 0.000 1.269 170 W CB -0.544 28.525 29.460 -0.652 0.000 1.155 170 W HN 0.197 nan 8.180 nan 0.000 0.484 171 Q N 1.127 121.080 119.800 0.256 0.000 2.197 171 Q HA -0.304 4.036 4.340 0.000 0.000 0.211 171 Q C 2.323 178.482 176.000 0.265 0.000 0.993 171 Q CA 3.082 59.070 55.803 0.310 0.000 0.883 171 Q CB -0.418 28.431 28.738 0.184 0.000 0.916 171 Q HN 0.465 nan 8.270 nan 0.000 0.418 172 K N -0.397 120.089 120.400 0.144 0.000 2.007 172 K HA -0.025 4.295 4.320 0.000 0.000 0.206 172 K C 2.213 178.901 176.600 0.147 0.000 1.047 172 K CA 1.321 57.668 56.287 0.099 0.000 0.937 172 K CB -1.199 31.290 32.500 -0.018 0.000 0.718 172 K HN 0.155 nan 8.250 nan 0.000 0.438 173 V N 0.062 120.062 119.914 0.142 0.000 2.324 173 V HA -0.293 3.827 4.120 0.000 0.000 0.250 173 V C 2.407 178.660 176.094 0.265 0.000 1.060 173 V CA 2.223 64.629 62.300 0.177 0.000 1.042 173 V CB -0.711 31.250 31.823 0.230 0.000 0.650 173 V HN 0.669 nan 8.190 nan 0.000 0.450 174 Y N 1.082 121.527 120.300 0.241 0.000 2.128 174 Y HA -0.338 4.212 4.550 0.000 0.000 0.284 174 Y C 2.707 178.729 175.900 0.204 0.000 1.154 174 Y CA 2.366 60.602 58.100 0.228 0.000 1.149 174 Y CB -0.553 38.050 38.460 0.238 0.000 0.976 174 Y HN 0.297 nan 8.280 nan 0.000 0.505 175 Q N 0.730 120.793 119.800 0.438 0.000 2.012 175 Q HA -0.283 4.057 4.340 0.000 0.000 0.211 175 Q C 2.424 178.513 176.000 0.149 0.000 1.009 175 Q CA 2.791 58.770 55.803 0.292 0.000 0.866 175 Q CB -1.175 27.686 28.738 0.205 0.000 0.945 175 Q HN 0.558 nan 8.270 nan 0.000 0.414 176 A N -0.577 122.315 122.820 0.121 0.000 1.884 176 A HA -0.268 4.052 4.320 0.000 0.000 0.219 176 A C 2.118 179.729 177.584 0.045 0.000 1.197 176 A CA 1.953 54.031 52.037 0.069 0.000 0.637 176 A CB -1.490 17.552 19.000 0.069 0.000 0.827 176 A HN 0.675 nan 8.150 nan 0.000 0.450 177 Y N 0.451 120.707 120.300 -0.073 0.000 2.069 177 Y HA -0.316 4.234 4.550 0.000 0.000 0.278 177 Y C 2.673 178.470 175.900 -0.171 0.000 1.175 177 Y CA 2.566 60.581 58.100 -0.141 0.000 1.134 177 Y CB -0.323 37.998 38.460 -0.232 0.000 0.965 177 Y HN 0.355 nan 8.280 nan 0.000 0.498 178 Q N 0.370 120.066 119.800 -0.173 0.000 2.170 178 Q HA -0.173 4.167 4.340 0.000 0.000 0.203 178 Q C 2.046 177.961 176.000 -0.143 0.000 0.976 178 Q CA 1.803 57.492 55.803 -0.190 0.000 0.858 178 Q CB -0.288 28.414 28.738 -0.061 0.000 0.907 178 Q HN 0.701 nan 8.270 nan 0.000 0.433 179 E N 0.627 120.776 120.200 -0.086 0.000 2.006 179 E HA -0.103 4.247 4.350 0.000 0.000 0.192 179 E C 2.031 178.569 176.600 -0.103 0.000 0.993 179 E CA 0.973 57.335 56.400 -0.064 0.000 0.808 179 E CB -0.233 29.452 29.700 -0.025 0.000 0.764 179 E HN 0.275 nan 8.360 nan 0.000 0.449 180 A N 1.639 124.387 122.820 -0.121 0.000 1.873 180 A HA -0.234 4.086 4.320 0.000 0.000 0.218 180 A C 2.594 180.060 177.584 -0.197 0.000 1.193 180 A CA 1.768 53.721 52.037 -0.139 0.000 0.629 180 A CB -1.181 17.744 19.000 -0.126 0.000 0.826 180 A HN 0.390 nan 8.150 nan 0.000 0.447 181 C N -0.827 118.274 119.300 -0.332 0.000 2.419 181 C HA -0.083 4.377 4.460 0.000 0.000 0.281 181 C C 2.391 177.254 174.990 -0.212 0.000 1.336 181 C CA 0.910 59.717 59.018 -0.353 0.000 1.770 181 C CB -1.256 26.136 27.740 -0.580 0.000 1.929 181 C HN 0.596 nan 8.230 nan 0.000 0.509 182 D N 0.477 120.776 120.400 -0.169 0.000 2.087 182 D HA -0.078 4.562 4.640 0.000 0.000 0.201 182 D C 2.334 178.592 176.300 -0.071 0.000 0.980 182 D CA 1.000 54.939 54.000 -0.103 0.000 0.849 182 D CB -0.306 40.448 40.800 -0.076 0.000 1.001 182 D HN 0.438 nan 8.370 nan 0.000 0.452 183 R N 0.695 121.156 120.500 -0.065 0.000 2.140 183 R HA -0.194 4.146 4.340 0.000 0.000 0.250 183 R C 2.229 178.503 176.300 -0.044 0.000 1.150 183 R CA 1.594 57.667 56.100 -0.045 0.000 0.966 183 R CB -0.394 29.880 30.300 -0.044 0.000 0.869 183 R HN 0.119 nan 8.270 nan 0.000 0.445 184 A N 0.147 122.928 122.820 -0.065 0.000 2.014 184 A HA 0.108 4.428 4.320 0.000 0.000 0.218 184 A C 1.511 179.070 177.584 -0.041 0.000 1.163 184 A CA 1.036 53.038 52.037 -0.057 0.000 0.652 184 A CB -0.317 18.635 19.000 -0.079 0.000 0.808 184 A HN 0.513 nan 8.150 nan 0.000 0.449 185 G N -1.144 107.632 108.800 -0.041 0.000 2.291 185 G HA2 -0.159 3.801 3.960 0.000 0.000 0.271 185 G HA3 -0.159 3.801 3.960 0.000 0.000 0.271 185 G C -0.247 174.666 174.900 0.021 0.000 1.099 185 G CA 0.403 45.505 45.100 0.003 0.000 0.919 185 G HN 0.548 nan 8.290 nan 0.000 0.496 186 L N -1.110 120.083 121.223 -0.050 0.000 2.333 186 L HA 0.918 5.258 4.340 0.000 0.000 0.263 186 L C 0.378 177.165 176.870 -0.138 0.000 1.014 186 L CA -1.585 53.218 54.840 -0.063 0.000 0.820 186 L CB 2.372 44.367 42.059 -0.106 0.000 1.352 186 L HN 0.398 nan 8.230 nan 0.000 0.421 187 V N -2.376 117.453 119.914 -0.141 0.000 2.971 187 V HA 0.565 4.686 4.120 0.000 0.000 0.309 187 V C -1.319 174.659 176.094 -0.193 0.000 1.130 187 V CA -0.857 61.325 62.300 -0.197 0.000 0.964 187 V CB 1.998 33.651 31.823 -0.283 0.000 1.029 187 V HN 0.789 nan 8.190 nan 0.000 0.427 188 D N 1.984 122.285 120.400 -0.164 0.000 2.340 188 D HA 0.335 4.975 4.640 0.000 0.000 0.251 188 D C 0.758 176.961 176.300 -0.161 0.000 1.080 188 D CA -0.561 53.319 54.000 -0.199 0.000 0.971 188 D CB 1.534 42.302 40.800 -0.053 0.000 1.137 188 D HN 0.331 nan 8.370 nan 0.000 0.475 189 F N 1.054 120.920 119.950 -0.140 0.000 2.045 189 F HA -0.237 4.291 4.527 0.000 0.000 0.297 189 F C 2.802 178.514 175.800 -0.146 0.000 1.114 189 F CA 1.852 59.713 58.000 -0.232 0.000 1.207 189 F CB -1.424 37.366 39.000 -0.349 0.000 0.964 189 F HN 0.583 nan 8.300 nan 0.000 0.486 190 A N -0.866 122.009 122.820 0.092 0.000 2.131 190 A HA -0.234 4.086 4.320 0.000 0.000 0.220 190 A C 2.076 179.645 177.584 -0.025 0.000 1.158 190 A CA 1.849 53.898 52.037 0.020 0.000 0.665 190 A CB -0.808 18.177 19.000 -0.026 0.000 0.795 190 A HN 0.442 nan 8.150 nan 0.000 0.460 191 E N 0.220 120.397 120.200 -0.038 0.000 2.051 191 E HA -0.076 4.274 4.350 0.000 0.000 0.189 191 E C 1.772 178.303 176.600 -0.114 0.000 0.979 191 E CA 0.935 57.287 56.400 -0.080 0.000 0.803 191 E CB -0.418 29.215 29.700 -0.111 0.000 0.761 191 E HN 0.568 nan 8.360 nan 0.000 0.451 192 L N 0.490 121.651 121.223 -0.104 0.000 1.997 192 L HA -0.327 4.014 4.340 0.000 0.000 0.227 192 L C 2.622 179.374 176.870 -0.196 0.000 1.087 192 L CA 1.895 56.658 54.840 -0.128 0.000 0.797 192 L CB -1.095 40.947 42.059 -0.029 0.000 0.902 192 L HN 0.245 nan 8.230 nan 0.000 0.441 193 L N -0.889 120.203 121.223 -0.217 0.000 1.963 193 L HA -0.286 4.054 4.340 0.000 0.000 0.220 193 L C 2.650 179.363 176.870 -0.262 0.000 1.076 193 L CA 1.289 55.905 54.840 -0.374 0.000 0.772 193 L CB -0.923 40.918 42.059 -0.362 0.000 0.892 193 L HN 0.275 nan 8.230 nan 0.000 0.435 194 L N 0.254 121.389 121.223 -0.146 0.000 2.012 194 L HA -0.228 4.112 4.340 0.000 0.000 0.210 194 L C 2.741 179.579 176.870 -0.053 0.000 1.073 194 L CA 1.835 56.644 54.840 -0.053 0.000 0.748 194 L CB -0.684 41.348 42.059 -0.044 0.000 0.891 194 L HN 0.123 nan 8.230 nan 0.000 0.431 195 R N 0.005 120.442 120.500 -0.105 0.000 2.091 195 R HA -0.090 4.251 4.340 0.000 0.000 0.238 195 R C 2.132 178.354 176.300 -0.130 0.000 1.136 195 R CA 1.720 57.753 56.100 -0.112 0.000 0.959 195 R CB -0.926 29.280 30.300 -0.157 0.000 0.856 195 R HN 0.567 nan 8.270 nan 0.000 0.437 196 A N -0.010 122.695 122.820 -0.191 0.000 1.835 196 A HA -0.239 4.081 4.320 0.000 0.000 0.215 196 A C 2.223 179.657 177.584 -0.250 0.000 1.199 196 A CA 1.811 53.685 52.037 -0.271 0.000 0.615 196 A CB -1.340 17.417 19.000 -0.404 0.000 0.838 196 A HN 0.685 nan 8.150 nan 0.000 0.444 197 H N -0.221 118.740 119.070 -0.181 0.000 2.357 197 H HA -0.182 4.374 4.556 0.000 0.000 0.296 197 H C 1.936 177.330 175.328 0.109 0.000 1.108 197 H CA 2.034 58.167 56.048 0.142 0.000 1.273 197 H CB -0.088 29.812 29.762 0.230 0.000 1.367 197 H HN 0.653 nan 8.280 nan 0.000 0.498 198 E N -0.030 120.102 120.200 -0.114 0.000 2.209 198 E HA -0.157 4.193 4.350 0.000 0.000 0.196 198 E C 2.264 178.825 176.600 -0.065 0.000 0.993 198 E CA 0.656 56.984 56.400 -0.120 0.000 0.819 198 E CB 0.025 29.701 29.700 -0.039 0.000 0.745 198 E HN 0.310 nan 8.360 nan 0.000 0.477 199 L N 0.015 121.188 121.223 -0.084 0.000 2.093 199 L HA -0.108 4.232 4.340 0.000 0.000 0.208 199 L C 0.498 177.458 176.870 0.150 0.000 1.085 199 L CA 1.101 55.928 54.840 -0.020 0.000 0.755 199 L CB 0.002 41.990 42.059 -0.118 0.000 0.904 199 L HN 0.163 nan 8.230 nan 0.000 0.435 200 W N 0.771 122.093 121.300 0.038 0.000 1.664 200 W HA 0.443 5.103 4.660 0.000 0.000 0.428 200 W C 0.235 176.727 176.519 -0.046 0.000 0.726 200 W CA -0.322 57.043 57.345 0.033 0.000 1.774 200 W CB -0.168 29.347 29.460 0.092 0.000 1.801 200 W HN 0.127 nan 8.180 nan 0.000 0.243 201 L N 0.947 122.275 121.223 0.174 0.000 5.787 201 L HA -0.083 4.257 4.340 0.000 0.000 0.587 201 L C 0.908 177.829 176.870 0.085 0.000 0.591 201 L CA 0.308 55.200 54.840 0.085 0.000 2.491 201 L CB -0.174 41.880 42.059 -0.009 0.000 1.936 201 L HN -0.025 nan 8.230 nan 0.000 0.568 202 N N -0.800 117.965 118.700 0.108 0.000 2.075 202 N HA 0.205 4.945 4.740 0.000 0.000 0.226 202 N C 0.275 175.860 175.510 0.125 0.000 1.343 202 N CA 0.015 53.122 53.050 0.095 0.000 0.881 202 N CB 0.930 39.462 38.487 0.074 0.000 1.100 202 N HN -0.032 nan 8.380 nan 0.000 0.495 203 K N 0.879 121.390 120.400 0.185 0.000 3.271 203 K HA 0.339 4.659 4.320 0.000 0.000 0.192 203 K C -2.019 174.775 176.600 0.323 0.000 1.108 203 K CA -1.649 54.799 56.287 0.268 0.000 0.902 203 K CB 1.818 34.468 32.500 0.250 0.000 0.889 203 K HN -0.117 nan 8.250 nan 0.000 0.520 204 P HA -0.285 nan 4.420 nan 0.000 0.219 204 P C 1.271 178.674 177.300 0.172 0.000 1.161 204 P CA 1.697 64.900 63.100 0.171 0.000 0.909 204 P CB -0.063 31.710 31.700 0.120 0.000 0.793 205 H N -0.824 118.273 119.070 0.045 0.000 2.492 205 H HA -0.119 4.437 4.556 0.000 0.000 0.296 205 H C 1.647 177.011 175.328 0.060 0.000 1.095 205 H CA 1.345 57.416 56.048 0.039 0.000 1.281 205 H CB -1.383 28.401 29.762 0.037 0.000 1.374 205 H HN 0.227 nan 8.280 nan 0.000 0.545 206 I N -0.062 120.311 120.570 -0.329 0.000 2.296 206 I HA -0.164 4.006 4.170 0.000 0.000 0.242 206 I C 2.607 178.725 176.117 -0.000 0.000 1.087 206 I CA 0.504 61.651 61.300 -0.254 0.000 1.393 206 I CB -0.257 37.667 38.000 -0.126 0.000 1.093 206 I HN 0.155 nan 8.210 nan 0.000 0.421 207 L N 1.014 122.213 121.223 -0.039 0.000 2.103 207 L HA -0.290 4.051 4.340 0.000 0.000 0.215 207 L C 2.464 179.160 176.870 -0.289 0.000 1.080 207 L CA 1.966 56.532 54.840 -0.457 0.000 0.764 207 L CB -0.980 40.903 42.059 -0.295 0.000 0.890 207 L HN 0.284 nan 8.230 nan 0.000 0.435 208 Q N -1.034 118.693 119.800 -0.122 0.000 1.967 208 Q HA -0.264 4.076 4.340 0.000 0.000 0.202 208 Q C 2.260 178.215 176.000 -0.075 0.000 0.985 208 Q CA 1.877 57.626 55.803 -0.090 0.000 0.839 208 Q CB -0.690 28.024 28.738 -0.041 0.000 0.906 208 Q HN 0.694 nan 8.270 nan 0.000 0.423 209 H N -0.266 118.691 119.070 -0.188 0.000 2.337 209 H HA -0.239 4.317 4.556 0.000 0.000 0.288 209 H C 1.797 176.950 175.328 -0.292 0.000 1.117 209 H CA 2.361 58.249 56.048 -0.266 0.000 1.205 209 H CB -0.308 29.225 29.762 -0.381 0.000 1.353 209 H HN 0.307 nan 8.280 nan 0.000 0.480 210 Y N 0.307 120.693 120.300 0.143 0.000 2.337 210 Y HA -0.000 4.550 4.550 0.000 0.000 0.293 210 Y C 3.014 178.907 175.900 -0.012 0.000 1.123 210 Y CA 0.930 59.100 58.100 0.117 0.000 1.201 210 Y CB -0.052 38.465 38.460 0.096 0.000 1.011 210 Y HN 0.124 nan 8.280 nan 0.000 0.545 211 R N 0.034 120.523 120.500 -0.018 0.000 2.066 211 R HA -0.168 4.172 4.340 0.000 0.000 0.232 211 R C 1.972 178.243 176.300 -0.049 0.000 1.131 211 R CA 1.480 57.540 56.100 -0.067 0.000 0.955 211 R CB -0.360 29.860 30.300 -0.132 0.000 0.851 211 R HN 0.274 nan 8.270 nan 0.000 0.432 212 E N 0.437 120.586 120.200 -0.085 0.000 2.455 212 E HA -0.203 4.147 4.350 0.000 0.000 0.202 212 E C 1.697 178.205 176.600 -0.155 0.000 1.045 212 E CA 0.935 57.258 56.400 -0.128 0.000 0.872 212 E CB 0.179 29.771 29.700 -0.180 0.000 0.792 212 E HN 0.179 nan 8.360 nan 0.000 0.542 213 R N -1.164 119.263 120.500 -0.122 0.000 2.081 213 R HA 0.128 4.468 4.340 0.000 0.000 0.158 213 R C -0.206 175.968 176.300 -0.210 0.000 1.886 213 R CA -0.204 55.767 56.100 -0.216 0.000 1.479 213 R CB -0.225 29.913 30.300 -0.271 0.000 1.254 213 R HN 0.014 nan 8.270 nan 0.000 0.475 214 F N 3.207 123.131 119.950 -0.044 0.000 2.616 214 F HA -0.006 4.521 4.527 0.000 0.000 0.331 214 F C 1.170 176.946 175.800 -0.039 0.000 1.309 214 F CA 0.619 58.592 58.000 -0.046 0.000 1.068 214 F CB 0.583 39.545 39.000 -0.063 0.000 1.464 214 F HN 0.352 nan 8.300 nan 0.000 0.667 215 T N -2.311 112.285 114.554 0.071 0.000 3.107 215 T HA 0.117 4.467 4.350 0.000 0.000 0.249 215 T C 0.524 175.272 174.700 0.079 0.000 1.096 215 T CA -0.100 62.030 62.100 0.051 0.000 1.012 215 T CB -0.144 68.730 68.868 0.009 0.000 0.977 215 T HN 0.241 nan 8.240 nan 0.000 0.527 216 N N 1.124 119.896 118.700 0.118 0.000 2.346 216 N HA 0.577 5.317 4.740 0.000 0.000 0.289 216 N C -1.408 174.186 175.510 0.140 0.000 1.027 216 N CA -0.478 52.643 53.050 0.118 0.000 0.864 216 N CB 2.388 40.942 38.487 0.111 0.000 1.370 216 N HN 0.294 nan 8.380 nan 0.000 0.481 217 I N 1.882 122.510 120.570 0.096 0.000 2.647 217 I HA 0.445 4.615 4.170 0.000 0.000 0.295 217 I C -0.961 175.177 176.117 0.034 0.000 1.078 217 I CA -0.762 60.576 61.300 0.062 0.000 1.048 217 I CB 2.120 40.139 38.000 0.033 0.000 1.239 217 I HN 0.116 nan 8.210 nan 0.000 0.421 218 L N 5.726 126.964 121.223 0.024 0.000 2.323 218 L HA 0.736 5.077 4.340 0.000 0.000 0.265 218 L C -0.763 176.117 176.870 0.016 0.000 1.012 218 L CA -0.769 54.079 54.840 0.012 0.000 0.820 218 L CB 2.226 44.300 42.059 0.026 0.000 1.334 218 L HN 0.257 nan 8.230 nan 0.000 0.427 219 V N 0.941 120.886 119.914 0.052 0.000 2.757 219 V HA 0.210 4.330 4.120 0.000 0.000 0.262 219 V C -0.703 175.524 176.094 0.222 0.000 0.971 219 V CA -0.834 61.562 62.300 0.159 0.000 0.906 219 V CB 1.187 33.240 31.823 0.383 0.000 1.056 219 V HN 0.709 nan 8.190 nan 0.000 0.489 220 D N 2.992 123.487 120.400 0.158 0.000 2.352 220 D HA 0.056 4.697 4.640 0.000 0.000 0.238 220 D C 0.749 177.151 176.300 0.169 0.000 1.286 220 D CA 0.372 54.455 54.000 0.138 0.000 0.923 220 D CB 0.743 41.605 40.800 0.103 0.000 1.146 220 D HN 0.617 nan 8.370 nan 0.000 0.471 221 E N 0.980 121.222 120.200 0.070 0.000 1.867 221 E HA -0.282 4.068 4.350 0.000 0.000 0.164 221 E C 0.560 177.130 176.600 -0.050 0.000 1.355 221 E CA 0.220 56.597 56.400 -0.038 0.000 0.575 221 E CB -1.398 28.187 29.700 -0.191 0.000 1.037 221 E HN 0.443 nan 8.360 nan 0.000 0.286 222 F N 1.480 121.402 119.950 -0.046 0.000 2.558 222 F HA -0.131 4.396 4.527 0.000 0.000 0.298 222 F C 2.584 178.370 175.800 -0.023 0.000 1.119 222 F CA 1.304 59.308 58.000 0.006 0.000 1.451 222 F CB 0.313 39.299 39.000 -0.023 0.000 1.091 222 F HN 0.242 nan 8.300 nan 0.000 0.563 223 Q N -0.608 119.251 119.800 0.097 0.000 2.437 223 Q HA -0.156 4.184 4.340 0.000 0.000 0.210 223 Q C 0.211 176.169 176.000 -0.070 0.000 0.972 223 Q CA 1.362 57.192 55.803 0.045 0.000 0.903 223 Q CB -0.548 28.213 28.738 0.039 0.000 0.967 223 Q HN 0.380 nan 8.270 nan 0.000 0.486 224 D N 1.792 122.050 120.400 -0.236 0.000 2.395 224 D HA 0.048 4.688 4.640 0.000 0.000 0.213 224 D C 0.361 176.520 176.300 -0.236 0.000 1.110 224 D CA 0.411 54.211 54.000 -0.334 0.000 0.835 224 D CB 0.606 41.019 40.800 -0.644 0.000 0.965 224 D HN 0.417 nan 8.370 nan 0.000 0.505 225 T N -0.175 114.277 114.554 -0.170 0.000 2.816 225 T HA 0.333 4.684 4.350 0.000 0.000 0.282 225 T C 0.349 174.959 174.700 -0.149 0.000 0.993 225 T CA -0.666 61.363 62.100 -0.117 0.000 0.994 225 T CB 1.461 70.075 68.868 -0.423 0.000 1.025 225 T HN 0.016 nan 8.240 nan 0.000 0.529 226 N N 0.457 119.039 118.700 -0.197 0.000 2.619 226 N HA 0.374 5.114 4.740 0.000 0.000 0.294 226 N C 0.661 176.102 175.510 -0.116 0.000 1.279 226 N CA -1.132 51.827 53.050 -0.152 0.000 0.867 226 N CB 0.341 38.723 38.487 -0.175 0.000 1.329 226 N HN 0.524 nan 8.380 nan 0.000 0.557 227 N N -0.314 118.333 118.700 -0.088 0.000 2.289 227 N HA -0.106 4.634 4.740 0.000 0.000 0.184 227 N C 1.053 176.551 175.510 -0.019 0.000 1.016 227 N CA 0.796 53.822 53.050 -0.041 0.000 0.872 227 N CB -0.005 38.455 38.487 -0.045 0.000 0.973 227 N HN 0.590 nan 8.380 nan 0.000 0.433 228 I N 0.898 121.415 120.570 -0.088 0.000 3.030 228 I HA -0.124 4.046 4.170 0.000 0.000 0.270 228 I C 2.029 178.067 176.117 -0.131 0.000 1.211 228 I CA 0.432 61.663 61.300 -0.115 0.000 1.479 228 I CB 0.204 38.127 38.000 -0.128 0.000 1.105 228 I HN 0.041 nan 8.210 nan 0.000 0.447 229 Q N -0.337 119.352 119.800 -0.186 0.000 2.033 229 Q HA -0.220 4.120 4.340 0.000 0.000 0.196 229 Q C 2.000 178.043 176.000 0.072 0.000 0.970 229 Q CA 1.775 57.424 55.803 -0.257 0.000 0.828 229 Q CB -0.376 27.890 28.738 -0.787 0.000 0.895 229 Q HN 0.525 nan 8.270 nan 0.000 0.440 230 Y N 1.572 121.835 120.300 -0.062 0.000 2.030 230 Y HA -0.328 4.222 4.550 0.000 0.000 0.274 230 Y C 2.357 178.367 175.900 0.184 0.000 1.153 230 Y CA 1.870 60.035 58.100 0.109 0.000 1.115 230 Y CB -0.522 38.005 38.460 0.112 0.000 0.969 230 Y HN 0.120 nan 8.280 nan 0.000 0.488 231 A N -0.677 122.336 122.820 0.321 0.000 2.093 231 A HA -0.282 4.038 4.320 0.000 0.000 0.222 231 A C 1.938 179.528 177.584 0.011 0.000 1.162 231 A CA 1.860 53.983 52.037 0.144 0.000 0.655 231 A CB -1.549 17.442 19.000 -0.015 0.000 0.805 231 A HN 0.874 nan 8.150 nan 0.000 0.461 232 W N 0.265 121.485 121.300 -0.133 0.000 2.452 232 W HA -0.019 4.641 4.660 0.000 0.000 0.313 232 W C 1.852 178.549 176.519 0.295 0.000 1.176 232 W CA 1.498 58.895 57.345 0.087 0.000 1.350 232 W CB -0.444 29.065 29.460 0.082 0.000 1.148 232 W HN 0.242 nan 8.180 nan 0.000 0.498 233 I N 1.734 122.436 120.570 0.221 0.000 2.163 233 I HA -0.390 3.780 4.170 0.000 0.000 0.243 233 I C 2.651 178.792 176.117 0.039 0.000 1.085 233 I CA 2.210 63.517 61.300 0.012 0.000 1.347 233 I CB -0.881 37.218 38.000 0.165 0.000 1.044 233 I HN 0.097 nan 8.210 nan 0.000 0.408 234 R N 1.852 122.410 120.500 0.097 0.000 2.140 234 R HA -0.225 4.115 4.340 0.000 0.000 0.250 234 R C 2.084 178.422 176.300 0.063 0.000 1.150 234 R CA 1.795 57.998 56.100 0.171 0.000 0.966 234 R CB -1.059 29.328 30.300 0.144 0.000 0.869 234 R HN 0.350 nan 8.270 nan 0.000 0.445 235 L N 0.129 121.387 121.223 0.057 0.000 2.109 235 L HA -0.087 4.253 4.340 0.000 0.000 0.207 235 L C 2.512 179.267 176.870 -0.192 0.000 1.086 235 L CA 0.456 55.289 54.840 -0.011 0.000 0.760 235 L CB -0.498 41.644 42.059 0.139 0.000 0.910 235 L HN 0.158 nan 8.230 nan 0.000 0.437 236 L N 0.561 121.613 121.223 -0.286 0.000 2.127 236 L HA -0.100 4.240 4.340 0.000 0.000 0.211 236 L C 1.448 178.205 176.870 -0.188 0.000 1.089 236 L CA 1.561 56.161 54.840 -0.399 0.000 0.757 236 L CB -0.533 41.284 42.059 -0.404 0.000 0.899 236 L HN 0.164 nan 8.230 nan 0.000 0.434 237 A N -1.655 121.121 122.820 -0.074 0.000 3.150 237 A HA 0.578 4.898 4.320 0.000 0.000 0.328 237 A C 1.423 178.981 177.584 -0.044 0.000 1.104 237 A CA 0.107 52.144 52.037 -0.001 0.000 0.937 237 A CB -0.423 18.656 19.000 0.131 0.000 1.073 237 A HN 0.367 nan 8.150 nan 0.000 0.497 238 G N 0.315 109.060 108.800 -0.091 0.000 2.480 238 G HA2 -0.129 3.832 3.960 0.000 0.000 0.216 238 G HA3 -0.129 3.832 3.960 0.000 0.000 0.216 238 G C 0.721 175.544 174.900 -0.128 0.000 1.200 238 G CA 1.756 46.787 45.100 -0.114 0.000 0.782 238 G HN 0.537 nan 8.290 nan 0.000 0.554 239 D N -2.225 118.124 120.400 -0.084 0.000 2.548 239 D HA -0.036 4.604 4.640 0.000 0.000 0.223 239 D C 2.541 178.820 176.300 -0.034 0.000 1.346 239 D CA 1.062 55.020 54.000 -0.069 0.000 1.318 239 D CB -0.792 39.969 40.800 -0.065 0.000 1.669 239 D HN 0.319 nan 8.370 nan 0.000 0.416 240 T N 0.571 115.104 114.554 -0.036 0.000 2.685 240 T HA -0.086 4.264 4.350 0.000 0.000 0.268 240 T C 1.219 175.916 174.700 -0.004 0.000 1.034 240 T CA 1.682 63.767 62.100 -0.025 0.000 1.149 240 T CB -0.788 68.057 68.868 -0.039 0.000 0.860 240 T HN 0.127 nan 8.240 nan 0.000 0.449 241 G N 0.953 109.755 108.800 0.003 0.000 2.476 241 G HA2 0.536 4.496 3.960 0.000 0.000 0.269 241 G HA3 0.536 4.496 3.960 0.000 0.000 0.269 241 G C -0.673 174.271 174.900 0.074 0.000 1.195 241 G CA -0.679 44.442 45.100 0.036 0.000 0.843 241 G HN 0.406 nan 8.290 nan 0.000 0.545 242 K N -0.939 119.513 120.400 0.087 0.000 2.211 242 K HA 0.743 5.063 4.320 0.000 0.000 0.237 242 K C -0.822 175.855 176.600 0.128 0.000 1.002 242 K CA -0.743 55.612 56.287 0.113 0.000 0.885 242 K CB 2.071 34.624 32.500 0.087 0.000 1.136 242 K HN 0.571 nan 8.250 nan 0.000 0.448 243 V N 2.291 122.292 119.914 0.145 0.000 2.775 243 V HA 0.408 4.528 4.120 0.000 0.000 0.295 243 V C -1.390 174.734 176.094 0.050 0.000 1.226 243 V CA -0.689 61.670 62.300 0.098 0.000 0.934 243 V CB 1.583 33.471 31.823 0.107 0.000 1.056 243 V HN 0.832 nan 8.190 nan 0.000 0.436 244 M N 7.371 126.963 119.600 -0.013 0.000 2.444 244 M HA 0.817 5.297 4.480 0.000 0.000 0.319 244 M C -1.042 175.149 176.300 -0.182 0.000 1.183 244 M CA -0.622 54.643 55.300 -0.058 0.000 1.032 244 M CB 1.570 34.154 32.600 -0.027 0.000 1.569 244 M HN 0.864 nan 8.290 nan 0.000 0.468 245 I N 1.845 122.262 120.570 -0.255 0.000 2.611 245 I HA 0.469 4.639 4.170 0.000 0.000 0.287 245 I C -1.180 174.810 176.117 -0.212 0.000 1.184 245 I CA -0.840 60.242 61.300 -0.363 0.000 1.054 245 I CB 1.127 38.495 38.000 -1.054 0.000 1.257 245 I HN 0.406 nan 8.210 nan 0.000 0.435 246 V N 4.937 124.809 119.914 -0.069 0.000 3.653 246 V HA 1.013 5.133 4.120 0.000 0.000 0.282 246 V C 1.070 177.173 176.094 0.015 0.000 0.993 246 V CA 0.485 62.773 62.300 -0.020 0.000 0.986 246 V CB 0.840 32.671 31.823 0.013 0.000 1.249 246 V HN 1.293 nan 8.190 nan 0.000 0.423 247 G N 0.068 108.889 108.800 0.035 0.000 2.352 247 G HA2 0.447 4.408 3.960 0.000 0.000 0.283 247 G HA3 0.447 4.408 3.960 0.000 0.000 0.283 247 G C -1.778 173.154 174.900 0.053 0.000 1.308 247 G CA 0.149 45.289 45.100 0.067 0.000 0.892 247 G HN 0.984 nan 8.290 nan 0.000 0.504 248 D N -0.875 119.565 120.400 0.067 0.000 2.795 248 D HA 0.156 4.796 4.640 0.000 0.000 0.123 248 D C 0.932 177.278 176.300 0.078 0.000 0.983 248 D CA 0.590 54.633 54.000 0.072 0.000 1.597 248 D CB -0.011 40.834 40.800 0.075 0.000 1.993 248 D HN 0.481 nan 8.370 nan 0.000 0.797 249 D N 2.035 122.479 120.400 0.074 0.000 2.228 249 D HA -0.234 4.406 4.640 0.000 0.000 0.203 249 D C 0.756 177.095 176.300 0.064 0.000 0.988 249 D CA 0.927 54.966 54.000 0.065 0.000 0.864 249 D CB 0.187 41.020 40.800 0.055 0.000 0.928 249 D HN 0.497 nan 8.370 nan 0.000 0.469 250 D N 0.286 120.737 120.400 0.085 0.000 2.312 250 D HA -0.082 4.559 4.640 0.000 0.000 0.211 250 D C 0.745 177.178 176.300 0.221 0.000 0.964 250 D CA 0.583 54.649 54.000 0.110 0.000 0.877 250 D CB 0.038 40.890 40.800 0.085 0.000 0.924 250 D HN 0.412 nan 8.370 nan 0.000 0.515 251 Q N 0.178 120.068 119.800 0.150 0.000 2.647 251 Q HA 0.173 4.513 4.340 0.000 0.000 0.400 251 Q C -0.570 175.433 176.000 0.005 0.000 0.959 251 Q CA -0.141 55.702 55.803 0.067 0.000 1.079 251 Q CB 0.804 29.554 28.738 0.020 0.000 1.351 251 Q HN -0.181 nan 8.270 nan 0.000 0.411 252 S N 1.319 117.026 115.700 0.011 0.000 2.143 252 S HA 0.146 4.616 4.470 0.000 0.000 0.188 252 S C 0.761 175.349 174.600 -0.020 0.000 1.431 252 S CA -0.457 57.741 58.200 -0.003 0.000 1.253 252 S CB -0.018 63.196 63.200 0.023 0.000 1.137 252 S HN 0.592 nan 8.310 nan 0.000 0.457 253 I N 0.089 120.587 120.570 -0.120 0.000 3.686 253 I HA 0.258 4.428 4.170 0.000 0.000 0.308 253 I C -0.710 175.338 176.117 -0.115 0.000 1.254 253 I CA 0.193 61.418 61.300 -0.126 0.000 1.175 253 I CB -1.744 36.024 38.000 -0.387 0.000 1.009 253 I HN 0.408 nan 8.210 nan 0.000 0.459 254 Y N 1.261 121.507 120.300 -0.089 0.000 2.736 254 Y HA 0.544 5.094 4.550 0.000 0.000 0.293 254 Y C 2.026 177.642 175.900 -0.472 0.000 1.062 254 Y CA -0.491 57.352 58.100 -0.428 0.000 1.247 254 Y CB 0.398 38.642 38.460 -0.360 0.000 1.200 254 Y HN 0.197 nan 8.280 nan 0.000 0.552 255 G N 0.397 109.129 108.800 -0.113 0.000 2.422 255 G HA2 -0.208 3.752 3.960 0.000 0.000 0.218 255 G HA3 -0.208 3.752 3.960 0.000 0.000 0.218 255 G C 1.459 176.374 174.900 0.026 0.000 1.140 255 G CA 0.735 45.830 45.100 -0.008 0.000 0.775 255 G HN 0.659 nan 8.290 nan 0.000 0.545 256 W N 0.786 122.189 121.300 0.172 0.000 2.436 256 W HA 0.117 4.777 4.660 0.000 0.000 0.284 256 W C 1.851 178.499 176.519 0.214 0.000 1.225 256 W CA 0.474 57.934 57.345 0.192 0.000 1.271 256 W CB -0.686 28.868 29.460 0.158 0.000 1.114 256 W HN 0.216 nan 8.180 nan 0.000 0.559 257 R N 1.439 121.605 120.500 -0.556 0.000 2.339 257 R HA 0.130 4.470 4.340 0.000 0.000 0.199 257 R C 1.455 177.642 176.300 -0.188 0.000 1.018 257 R CA 1.059 56.912 56.100 -0.412 0.000 1.036 257 R CB -0.747 29.077 30.300 -0.794 0.000 0.899 257 R HN 0.274 nan 8.270 nan 0.000 0.473 258 G N -1.104 107.634 108.800 -0.103 0.000 2.165 258 G HA2 -0.244 3.716 3.960 0.000 0.000 0.226 258 G HA3 -0.244 3.716 3.960 0.000 0.000 0.226 258 G C -0.150 174.692 174.900 -0.097 0.000 1.035 258 G CA -0.075 44.977 45.100 -0.081 0.000 0.744 258 G HN 0.483 nan 8.290 nan 0.000 0.501 259 A N 0.656 123.418 122.820 -0.098 0.000 2.391 259 A HA 0.623 4.943 4.320 0.000 0.000 0.316 259 A C 0.737 178.296 177.584 -0.040 0.000 1.381 259 A CA -0.310 51.679 52.037 -0.079 0.000 0.998 259 A CB 0.307 19.262 19.000 -0.075 0.000 1.147 259 A HN 0.378 nan 8.150 nan 0.000 0.545 260 Q N 2.900 122.674 119.800 -0.044 0.000 2.465 260 Q HA 0.043 4.383 4.340 0.000 0.000 0.237 260 Q C 1.193 177.194 176.000 0.003 0.000 1.288 260 Q CA 0.019 55.809 55.803 -0.021 0.000 0.888 260 Q CB -0.594 28.117 28.738 -0.044 0.000 1.570 260 Q HN 0.534 nan 8.270 nan 0.000 0.532 261 V N 1.627 121.553 119.914 0.019 0.000 2.764 261 V HA -0.330 3.790 4.120 0.000 0.000 0.261 261 V C 1.514 177.639 176.094 0.053 0.000 1.108 261 V CA 1.931 64.254 62.300 0.039 0.000 1.129 261 V CB -0.548 31.300 31.823 0.043 0.000 0.701 261 V HN 0.544 nan 8.190 nan 0.000 0.495 262 E N 0.435 120.657 120.200 0.036 0.000 2.001 262 E HA -0.178 4.172 4.350 0.000 0.000 0.193 262 E C 1.953 178.588 176.600 0.059 0.000 0.994 262 E CA 1.306 57.727 56.400 0.035 0.000 0.815 262 E CB -0.587 29.116 29.700 0.005 0.000 0.770 262 E HN 0.505 nan 8.360 nan 0.000 0.453 263 N N 0.484 119.200 118.700 0.027 0.000 2.338 263 N HA -0.273 4.467 4.740 0.000 0.000 0.193 263 N C 1.455 177.148 175.510 0.305 0.000 0.880 263 N CA 1.459 54.554 53.050 0.074 0.000 0.941 263 N CB -0.442 38.117 38.487 0.119 0.000 1.060 263 N HN 0.152 nan 8.380 nan 0.000 0.781 264 I N 0.852 121.597 120.570 0.291 0.000 2.113 264 I HA -0.318 3.852 4.170 0.000 0.000 0.242 264 I C 2.235 178.469 176.117 0.196 0.000 1.064 264 I CA 1.820 63.267 61.300 0.245 0.000 1.320 264 I CB -0.974 37.126 38.000 0.167 0.000 1.028 264 I HN 0.325 nan 8.210 nan 0.000 0.406 265 Q N 1.054 120.942 119.800 0.147 0.000 2.020 265 Q HA -0.224 4.116 4.340 0.000 0.000 0.198 265 Q C 2.433 178.519 176.000 0.144 0.000 0.974 265 Q CA 1.975 57.848 55.803 0.118 0.000 0.829 265 Q CB -0.647 28.136 28.738 0.075 0.000 0.894 265 Q HN 0.403 nan 8.270 nan 0.000 0.433 266 R N -0.884 119.690 120.500 0.123 0.000 2.204 266 R HA -0.226 4.114 4.340 0.000 0.000 0.253 266 R C 1.916 178.404 176.300 0.312 0.000 1.172 266 R CA 1.605 57.764 56.100 0.099 0.000 0.994 266 R CB -0.522 29.697 30.300 -0.135 0.000 0.874 266 R HN 0.428 nan 8.270 nan 0.000 0.462 267 F N 1.004 121.092 119.950 0.230 0.000 2.098 267 F HA -0.089 4.438 4.527 0.000 0.000 0.294 267 F C 1.807 177.681 175.800 0.122 0.000 1.107 267 F CA 1.399 59.507 58.000 0.181 0.000 1.234 267 F CB -0.534 38.366 39.000 -0.166 0.000 1.002 267 F HN -0.057 nan 8.300 nan 0.000 0.472 268 L N 0.543 121.724 121.223 -0.069 0.000 2.137 268 L HA -0.311 4.030 4.340 0.000 0.000 0.213 268 L C 2.069 178.896 176.870 -0.070 0.000 1.085 268 L CA 1.542 56.291 54.840 -0.151 0.000 0.760 268 L CB -1.040 41.012 42.059 -0.012 0.000 0.893 268 L HN 0.303 nan 8.230 nan 0.000 0.434 269 N N -0.527 118.195 118.700 0.036 0.000 2.245 269 N HA -0.119 4.621 4.740 0.000 0.000 0.185 269 N C 1.383 176.956 175.510 0.105 0.000 1.036 269 N CA 1.070 54.157 53.050 0.061 0.000 0.857 269 N CB -0.560 37.970 38.487 0.072 0.000 1.015 269 N HN 0.307 nan 8.380 nan 0.000 0.436 270 D N 0.143 120.680 120.400 0.228 0.000 2.315 270 D HA -0.101 4.539 4.640 0.000 0.000 0.211 270 D C -0.395 175.977 176.300 0.119 0.000 0.977 270 D CA 0.886 55.044 54.000 0.263 0.000 0.894 270 D CB -0.016 41.111 40.800 0.545 0.000 0.910 270 D HN 0.159 nan 8.370 nan 0.000 0.490 271 F N -0.244 119.615 119.950 -0.152 0.000 2.359 271 F HA 0.274 4.802 4.527 0.000 0.000 0.369 271 F C -1.651 174.013 175.800 -0.226 0.000 1.084 271 F CA -2.676 55.172 58.000 -0.255 0.000 1.096 271 F CB 1.640 40.278 39.000 -0.604 0.000 1.335 271 F HN -0.254 nan 8.300 nan 0.000 0.457 272 P HA -0.164 nan 4.420 nan 0.000 0.203 272 P C 0.742 178.022 177.300 -0.034 0.000 1.087 272 P CA 1.320 64.402 63.100 -0.031 0.000 0.952 272 P CB 0.038 31.716 31.700 -0.037 0.000 0.758 273 G N -0.533 108.252 108.800 -0.026 0.000 2.367 273 G HA2 0.389 4.349 3.960 0.000 0.000 0.282 273 G HA3 0.389 4.349 3.960 0.000 0.000 0.282 273 G C -0.574 174.308 174.900 -0.030 0.000 1.140 273 G CA 0.531 45.619 45.100 -0.019 0.000 1.088 273 G HN 0.453 nan 8.290 nan 0.000 0.431 274 A N 3.332 126.124 122.820 -0.046 0.000 2.512 274 A HA 0.623 4.943 4.320 0.000 0.000 0.294 274 A C -0.165 177.403 177.584 -0.028 0.000 1.054 274 A CA -0.763 51.235 52.037 -0.065 0.000 0.756 274 A CB 1.230 20.104 19.000 -0.211 0.000 1.293 274 A HN 0.618 nan 8.150 nan 0.000 0.395 275 E N 0.344 120.544 120.200 -0.000 0.000 3.466 275 E HA 0.798 5.148 4.350 0.000 0.000 0.265 275 E C -0.596 176.014 176.600 0.017 0.000 1.291 275 E CA -0.645 55.758 56.400 0.005 0.000 1.226 275 E CB 0.944 30.646 29.700 0.004 0.000 1.404 275 E HN 0.562 nan 8.360 nan 0.000 0.697 276 T N 0.669 115.232 114.554 0.015 0.000 3.159 276 T HA 0.358 4.709 4.350 0.000 0.000 0.343 276 T C -1.196 173.514 174.700 0.017 0.000 1.364 276 T CA -0.698 61.415 62.100 0.021 0.000 1.102 276 T CB 0.778 69.661 68.868 0.025 0.000 1.263 276 T HN 0.212 nan 8.240 nan 0.000 0.477 277 I N 2.088 122.668 120.570 0.018 0.000 2.545 277 I HA 0.487 4.657 4.170 0.000 0.000 0.292 277 I C 0.085 176.222 176.117 0.033 0.000 1.040 277 I CA -0.864 60.448 61.300 0.021 0.000 1.068 277 I CB 2.197 40.201 38.000 0.007 0.000 1.251 277 I HN 0.559 nan 8.210 nan 0.000 0.424 278 R N 5.633 126.163 120.500 0.050 0.000 2.575 278 R HA 0.476 4.817 4.340 0.000 0.000 0.281 278 R C -0.706 175.643 176.300 0.082 0.000 1.272 278 R CA -0.657 55.482 56.100 0.065 0.000 1.417 278 R CB 0.582 30.928 30.300 0.077 0.000 1.121 278 R HN 0.484 nan 8.270 nan 0.000 0.583 279 L N 2.506 123.765 121.223 0.060 0.000 2.597 279 L HA 0.021 4.362 4.340 0.000 0.000 0.271 279 L C 0.704 177.604 176.870 0.049 0.000 1.157 279 L CA 0.767 55.640 54.840 0.056 0.000 0.928 279 L CB 0.061 42.140 42.059 0.032 0.000 1.216 279 L HN 0.464 nan 8.230 nan 0.000 0.481 280 E N 2.039 122.272 120.200 0.055 0.000 2.758 280 E HA 0.091 4.441 4.350 0.000 0.000 0.215 280 E C -0.164 176.235 176.600 -0.334 0.000 0.985 280 E CA -0.133 56.274 56.400 0.013 0.000 1.102 280 E CB 0.880 30.704 29.700 0.208 0.000 1.042 280 E HN 0.584 nan 8.360 nan 0.000 0.480 281 Q N 2.034 121.562 119.800 -0.453 0.000 2.368 281 Q HA 0.158 4.498 4.340 0.000 0.000 0.256 281 Q C -0.779 174.924 176.000 -0.495 0.000 0.980 281 Q CA -0.422 54.822 55.803 -0.933 0.000 0.887 281 Q CB 0.733 28.905 28.738 -0.944 0.000 1.221 281 Q HN 0.058 nan 8.270 nan 0.000 0.458 282 N N 3.137 121.511 118.700 -0.543 0.000 2.518 282 N HA 0.054 4.794 4.740 0.000 0.000 0.283 282 N C -0.967 174.302 175.510 -0.401 0.000 1.119 282 N CA 0.255 53.144 53.050 -0.267 0.000 0.983 282 N CB 0.595 38.970 38.487 -0.187 0.000 1.139 282 N HN 0.607 nan 8.380 nan 0.000 0.465 283 Y N 1.512 121.728 120.300 -0.141 0.000 2.717 283 Y HA 0.313 4.863 4.550 0.000 0.000 0.250 283 Y C 1.739 177.598 175.900 -0.068 0.000 1.149 283 Y CA -0.469 57.572 58.100 -0.099 0.000 1.211 283 Y CB 0.362 38.769 38.460 -0.088 0.000 1.289 283 Y HN 0.535 nan 8.280 nan 0.000 0.552 284 R N 0.439 120.972 120.500 0.056 0.000 2.142 284 R HA 0.182 4.522 4.340 0.000 0.000 0.204 284 R C 0.306 176.609 176.300 0.006 0.000 1.059 284 R CA 1.048 57.160 56.100 0.020 0.000 1.055 284 R CB 0.409 30.704 30.300 -0.009 0.000 0.976 284 R HN 0.261 nan 8.270 nan 0.000 0.483 285 S N -0.379 115.313 115.700 -0.014 0.000 2.677 285 S HA 0.355 4.825 4.470 0.000 0.000 0.304 285 S C -0.035 174.559 174.600 -0.011 0.000 1.108 285 S CA -0.694 57.502 58.200 -0.006 0.000 0.944 285 S CB 1.680 64.874 63.200 -0.010 0.000 1.127 285 S HN 0.274 nan 8.310 nan 0.000 0.511 286 T N -1.213 113.344 114.554 0.006 0.000 2.748 286 T HA 0.286 4.637 4.350 0.000 0.000 0.304 286 T C 1.162 175.867 174.700 0.009 0.000 1.041 286 T CA 0.077 62.182 62.100 0.009 0.000 1.033 286 T CB 0.556 69.437 68.868 0.022 0.000 0.995 286 T HN 0.557 nan 8.240 nan 0.000 0.536 287 S N 0.423 116.134 115.700 0.017 0.000 2.357 287 S HA -0.131 4.339 4.470 0.000 0.000 0.221 287 S C 2.092 176.712 174.600 0.033 0.000 1.031 287 S CA 1.212 59.430 58.200 0.031 0.000 0.982 287 S CB -0.903 62.322 63.200 0.041 0.000 0.853 287 S HN 0.864 nan 8.310 nan 0.000 0.458 288 N N 1.308 120.026 118.700 0.029 0.000 2.069 288 N HA -0.148 4.592 4.740 0.000 0.000 0.196 288 N C 1.390 176.917 175.510 0.028 0.000 1.024 288 N CA 1.873 54.940 53.050 0.028 0.000 0.869 288 N CB -0.516 37.986 38.487 0.025 0.000 1.035 288 N HN 0.319 nan 8.380 nan 0.000 0.434 289 I N 0.598 121.182 120.570 0.024 0.000 2.163 289 I HA -0.137 4.033 4.170 0.000 0.000 0.240 289 I C 2.208 178.343 176.117 0.031 0.000 1.081 289 I CA 0.681 61.994 61.300 0.022 0.000 1.353 289 I CB -0.619 37.388 38.000 0.011 0.000 1.054 289 I HN 0.200 nan 8.210 nan 0.000 0.407 290 L N -0.469 120.772 121.223 0.029 0.000 2.137 290 L HA -0.327 4.013 4.340 0.000 0.000 0.213 290 L C 2.639 179.550 176.870 0.068 0.000 1.085 290 L CA 1.660 56.526 54.840 0.044 0.000 0.760 290 L CB -0.732 41.349 42.059 0.037 0.000 0.893 290 L HN 0.333 nan 8.230 nan 0.000 0.434 291 S N -0.290 115.445 115.700 0.058 0.000 2.349 291 S HA -0.228 4.242 4.470 0.000 0.000 0.216 291 S C 2.222 176.856 174.600 0.057 0.000 1.033 291 S CA 1.367 59.601 58.200 0.057 0.000 1.021 291 S CB -0.292 62.934 63.200 0.044 0.000 0.968 291 S HN 0.436 nan 8.310 nan 0.000 0.426 292 A N 1.973 124.823 122.820 0.049 0.000 1.969 292 A HA -0.177 4.144 4.320 0.000 0.000 0.223 292 A C 2.469 180.094 177.584 0.069 0.000 1.218 292 A CA 2.746 54.813 52.037 0.049 0.000 0.667 292 A CB -1.738 17.287 19.000 0.041 0.000 0.826 292 A HN 0.962 nan 8.150 nan 0.000 0.472 293 A N -0.050 122.829 122.820 0.098 0.000 1.841 293 A HA -0.269 4.051 4.320 0.000 0.000 0.216 293 A C 1.995 179.660 177.584 0.136 0.000 1.199 293 A CA 1.841 53.989 52.037 0.186 0.000 0.621 293 A CB -0.880 18.263 19.000 0.239 0.000 0.835 293 A HN 0.657 nan 8.150 nan 0.000 0.445 294 N N 0.368 119.130 118.700 0.103 0.000 2.036 294 N HA -0.269 4.471 4.740 0.000 0.000 0.199 294 N C 2.033 177.542 175.510 -0.001 0.000 1.036 294 N CA 1.971 55.045 53.050 0.039 0.000 0.870 294 N CB -0.707 37.812 38.487 0.054 0.000 1.055 294 N HN 0.512 nan 8.380 nan 0.000 0.436 295 A N 1.813 124.643 122.820 0.017 0.000 1.849 295 A HA -0.172 4.148 4.320 0.000 0.000 0.217 295 A C 2.362 179.945 177.584 -0.001 0.000 1.202 295 A CA 1.621 53.663 52.037 0.008 0.000 0.629 295 A CB -1.182 17.829 19.000 0.018 0.000 0.834 295 A HN 0.274 nan 8.150 nan 0.000 0.447 296 L N -0.721 120.512 121.223 0.017 0.000 2.010 296 L HA -0.221 4.119 4.340 0.000 0.000 0.219 296 L C 2.211 179.067 176.870 -0.024 0.000 1.077 296 L CA 2.574 57.428 54.840 0.025 0.000 0.773 296 L CB -0.489 41.598 42.059 0.047 0.000 0.892 296 L HN 0.425 nan 8.230 nan 0.000 0.436 297 I N -0.596 119.909 120.570 -0.108 0.000 3.001 297 I HA -0.176 3.994 4.170 0.000 0.000 0.268 297 I C 2.135 178.130 176.117 -0.203 0.000 1.267 297 I CA 1.194 62.314 61.300 -0.301 0.000 1.472 297 I CB -0.511 36.994 38.000 -0.825 0.000 1.089 297 I HN 0.416 nan 8.210 nan 0.000 0.468 298 E N -0.198 119.937 120.200 -0.109 0.000 2.478 298 E HA -0.018 4.332 4.350 0.000 0.000 0.194 298 E C 1.348 177.924 176.600 -0.040 0.000 1.045 298 E CA -0.037 56.321 56.400 -0.070 0.000 0.868 298 E CB -0.035 29.640 29.700 -0.043 0.000 0.885 298 E HN 0.488 nan 8.360 nan 0.000 0.505 299 N N 1.249 119.933 118.700 -0.026 0.000 2.573 299 N HA -0.053 4.687 4.740 0.000 0.000 0.187 299 N C 0.163 175.673 175.510 -0.001 0.000 1.107 299 N CA 0.512 53.560 53.050 -0.004 0.000 0.918 299 N CB 0.074 38.573 38.487 0.020 0.000 0.966 299 N HN 0.162 nan 8.380 nan 0.000 0.448 300 N N 1.328 120.018 118.700 -0.016 0.000 2.491 300 N HA 0.221 4.961 4.740 0.000 0.000 0.279 300 N C -0.007 175.496 175.510 -0.013 0.000 1.236 300 N CA -0.259 52.786 53.050 -0.008 0.000 0.982 300 N CB 0.657 39.131 38.487 -0.021 0.000 1.194 300 N HN 0.218 nan 8.380 nan 0.000 0.582 301 N N -2.721 115.976 118.700 -0.004 0.000 2.853 301 N HA 0.418 5.159 4.740 0.000 0.000 0.258 301 N C 0.407 175.920 175.510 0.004 0.000 1.444 301 N CA -0.266 52.783 53.050 -0.002 0.000 0.837 301 N CB 0.501 38.990 38.487 0.003 0.000 1.489 301 N HN 0.547 nan 8.380 nan 0.000 0.529 302 G N -0.876 107.928 108.800 0.006 0.000 2.155 302 G HA2 -0.315 3.645 3.960 0.000 0.000 0.257 302 G HA3 -0.315 3.645 3.960 0.000 0.000 0.257 302 G C -0.029 174.878 174.900 0.012 0.000 0.983 302 G CA 0.647 45.754 45.100 0.012 0.000 0.676 302 G HN 0.780 nan 8.290 nan 0.000 0.528 303 R N -0.861 119.640 120.500 0.003 0.000 2.668 303 R HA 0.597 4.937 4.340 0.000 0.000 0.268 303 R C 1.405 177.710 176.300 0.008 0.000 1.232 303 R CA 0.003 56.103 56.100 -0.000 0.000 1.166 303 R CB 0.189 30.475 30.300 -0.023 0.000 1.179 303 R HN 0.195 nan 8.270 nan 0.000 0.606 304 L N -0.065 121.165 121.223 0.011 0.000 2.664 304 L HA 0.225 4.565 4.340 0.000 0.000 0.233 304 L C 0.731 177.611 176.870 0.016 0.000 1.113 304 L CA 0.163 55.015 54.840 0.020 0.000 0.896 304 L CB 0.158 42.236 42.059 0.030 0.000 1.163 304 L HN 0.983 nan 8.230 nan 0.000 0.497 305 G N 2.579 111.382 108.800 0.004 0.000 2.915 305 G HA2 -0.237 3.724 3.960 0.000 0.000 0.686 305 G HA3 -0.237 3.724 3.960 0.000 0.000 0.686 305 G C -0.552 174.362 174.900 0.023 0.000 1.414 305 G CA 0.069 45.170 45.100 0.003 0.000 1.053 305 G HN 0.499 nan 8.290 nan 0.000 0.598 306 K N 0.415 120.831 120.400 0.028 0.000 2.583 306 K HA 0.606 4.926 4.320 0.000 0.000 0.260 306 K C -1.160 175.488 176.600 0.080 0.000 0.931 306 K CA -1.316 55.009 56.287 0.063 0.000 0.849 306 K CB 1.643 34.190 32.500 0.079 0.000 1.347 306 K HN 0.340 nan 8.250 nan 0.000 0.425 307 K N 3.638 124.107 120.400 0.115 0.000 2.240 307 K HA 0.363 4.683 4.320 0.000 0.000 0.271 307 K C -0.661 176.070 176.600 0.219 0.000 1.018 307 K CA -0.573 55.801 56.287 0.144 0.000 0.874 307 K CB 1.053 33.631 32.500 0.130 0.000 1.098 307 K HN 0.619 nan 8.250 nan 0.000 0.458 308 L N 5.458 126.786 121.223 0.176 0.000 2.255 308 L HA 0.409 4.749 4.340 0.000 0.000 0.289 308 L C -0.080 176.889 176.870 0.165 0.000 1.046 308 L CA -0.804 54.112 54.840 0.126 0.000 0.816 308 L CB 0.309 42.422 42.059 0.090 0.000 1.197 308 L HN 0.487 nan 8.230 nan 0.000 0.427 309 W N 2.681 123.973 121.300 -0.013 0.000 2.702 309 W HA 0.598 5.258 4.660 0.000 0.000 0.331 309 W C -0.575 175.891 176.519 -0.088 0.000 1.049 309 W CA -0.865 56.457 57.345 -0.038 0.000 1.230 309 W CB 1.061 30.501 29.460 -0.033 0.000 1.408 309 W HN 0.353 nan 8.180 nan 0.000 0.492 310 T N 0.847 115.422 114.554 0.035 0.000 2.880 310 T HA 0.292 4.642 4.350 0.000 0.000 0.279 310 T C 0.437 175.173 174.700 0.060 0.000 0.990 310 T CA 0.072 62.079 62.100 -0.155 0.000 0.938 310 T CB 1.146 69.962 68.868 -0.086 0.000 1.206 310 T HN 0.568 nan 8.240 nan 0.000 0.573 311 D N -1.115 119.254 120.400 -0.052 0.000 2.530 311 D HA 0.215 4.856 4.640 0.000 0.000 0.253 311 D C 0.768 177.078 176.300 0.017 0.000 1.338 311 D CA -0.419 53.623 54.000 0.071 0.000 0.806 311 D CB -0.190 40.662 40.800 0.085 0.000 1.160 311 D HN 0.583 nan 8.370 nan 0.000 0.514 312 G N 0.772 109.561 108.800 -0.018 0.000 2.736 312 G HA2 0.601 4.561 3.960 0.000 0.000 0.229 312 G HA3 0.601 4.561 3.960 0.000 0.000 0.229 312 G C 0.283 175.191 174.900 0.015 0.000 1.380 312 G CA -0.076 45.022 45.100 -0.003 0.000 1.040 312 G HN 0.264 nan 8.290 nan 0.000 0.568 313 A N -1.171 121.658 122.820 0.016 0.000 2.251 313 A HA 0.399 4.719 4.320 0.000 0.000 0.277 313 A C 0.835 178.432 177.584 0.022 0.000 1.313 313 A CA 0.685 52.734 52.037 0.021 0.000 0.813 313 A CB 0.036 19.049 19.000 0.022 0.000 1.210 313 A HN 0.464 nan 8.150 nan 0.000 0.509 314 D N -1.419 118.996 120.400 0.024 0.000 2.454 314 D HA 0.318 4.958 4.640 0.000 0.000 0.219 314 D C 1.073 177.388 176.300 0.026 0.000 1.081 314 D CA 1.284 55.299 54.000 0.025 0.000 0.867 314 D CB -0.013 40.802 40.800 0.025 0.000 1.054 314 D HN 1.126 nan 8.370 nan 0.000 0.500 315 G N 1.879 110.695 108.800 0.027 0.000 2.953 315 G HA2 -0.280 3.680 3.960 0.000 0.000 0.421 315 G HA3 -0.280 3.680 3.960 0.000 0.000 0.421 315 G C -0.091 174.827 174.900 0.030 0.000 1.531 315 G CA -0.419 44.699 45.100 0.031 0.000 0.971 315 G HN 0.186 nan 8.290 nan 0.000 0.558 316 E N 1.756 121.977 120.200 0.035 0.000 2.485 316 E HA 0.072 4.422 4.350 0.000 0.000 0.266 316 E C -1.268 175.350 176.600 0.029 0.000 1.090 316 E CA -0.047 56.373 56.400 0.034 0.000 0.987 316 E CB 0.361 30.086 29.700 0.042 0.000 0.974 316 E HN 0.455 nan 8.360 nan 0.000 0.455 317 P HA 0.041 nan 4.420 nan 0.000 0.282 317 P C -0.156 177.156 177.300 0.020 0.000 1.286 317 P CA 0.202 63.317 63.100 0.025 0.000 0.777 317 P CB 0.461 32.178 31.700 0.028 0.000 1.184 318 I N 0.224 120.805 120.570 0.018 0.000 2.325 318 I HA 0.052 4.222 4.170 0.000 0.000 0.285 318 I C 0.812 176.941 176.117 0.020 0.000 1.128 318 I CA -0.414 60.891 61.300 0.008 0.000 1.261 318 I CB -0.389 37.618 38.000 0.011 0.000 1.529 318 I HN 0.239 nan 8.210 nan 0.000 0.557 319 S N 4.840 120.557 115.700 0.029 0.000 2.558 319 S HA 0.097 4.567 4.470 0.000 0.000 0.297 319 S C -0.212 174.427 174.600 0.065 0.000 1.283 319 S CA -0.176 58.061 58.200 0.062 0.000 1.044 319 S CB 1.032 64.296 63.200 0.107 0.000 0.789 319 S HN 0.403 nan 8.310 nan 0.000 0.500 320 L N 2.413 123.669 121.223 0.055 0.000 2.409 320 L HA 0.498 4.838 4.340 0.000 0.000 0.272 320 L C -0.969 175.859 176.870 -0.071 0.000 0.980 320 L CA -0.559 54.289 54.840 0.013 0.000 0.826 320 L CB 1.785 43.853 42.059 0.015 0.000 1.268 320 L HN 0.920 nan 8.230 nan 0.000 0.407 321 Y N 2.805 122.906 120.300 -0.333 0.000 2.567 321 Y HA 0.494 5.044 4.550 0.000 0.000 0.333 321 Y C -0.292 175.189 175.900 -0.699 0.000 1.106 321 Y CA -0.641 57.119 58.100 -0.567 0.000 1.157 321 Y CB 1.955 39.798 38.460 -1.027 0.000 1.277 321 Y HN 0.550 nan 8.280 nan 0.000 0.490 322 C N 4.770 123.291 119.300 -1.298 0.000 3.384 322 C HA 0.825 5.285 4.460 0.000 0.000 0.294 322 C C -0.421 174.140 174.990 -0.715 0.000 1.062 322 C CA -0.397 58.036 59.018 -0.976 0.000 1.325 322 C CB -1.807 25.545 27.740 -0.646 0.000 1.793 322 C HN 0.988 nan 8.230 nan 0.000 0.563 323 A N 2.904 125.563 122.820 -0.268 0.000 2.313 323 A HA 0.553 4.873 4.320 0.000 0.000 0.261 323 A C 0.607 178.303 177.584 0.186 0.000 1.090 323 A CA -0.252 51.868 52.037 0.137 0.000 0.807 323 A CB 0.114 19.359 19.000 0.408 0.000 1.055 323 A HN 0.935 nan 8.150 nan 0.000 0.492 324 F N 0.912 120.892 119.950 0.050 0.000 2.075 324 F HA -0.046 4.481 4.527 0.000 0.000 0.297 324 F C 1.030 176.868 175.800 0.064 0.000 1.113 324 F CA 1.848 59.880 58.000 0.052 0.000 1.218 324 F CB -0.330 38.701 39.000 0.052 0.000 0.984 324 F HN 0.792 nan 8.300 nan 0.000 0.472 325 N N -1.121 117.637 118.700 0.097 0.000 2.571 325 N HA 0.149 4.890 4.740 0.000 0.000 0.273 325 N C 0.321 175.859 175.510 0.046 0.000 1.340 325 N CA -0.172 52.851 53.050 -0.044 0.000 0.789 325 N CB 1.099 39.494 38.487 -0.152 0.000 1.514 325 N HN -0.033 nan 8.380 nan 0.000 0.499 326 E N 0.849 121.058 120.200 0.016 0.000 2.265 326 E HA -0.163 4.187 4.350 0.000 0.000 0.196 326 E C 1.415 178.039 176.600 0.041 0.000 0.996 326 E CA 0.885 57.311 56.400 0.043 0.000 0.832 326 E CB -0.314 29.397 29.700 0.019 0.000 0.756 326 E HN 0.593 nan 8.360 nan 0.000 0.491 327 L N 1.356 122.594 121.223 0.026 0.000 2.079 327 L HA -0.163 4.178 4.340 0.000 0.000 0.210 327 L C 2.087 178.992 176.870 0.058 0.000 1.081 327 L CA 2.168 57.026 54.840 0.029 0.000 0.752 327 L CB -1.366 40.709 42.059 0.027 0.000 0.896 327 L HN 0.194 nan 8.230 nan 0.000 0.433 328 D N -0.510 119.948 120.400 0.097 0.000 2.106 328 D HA -0.189 4.451 4.640 0.000 0.000 0.203 328 D C 2.120 178.493 176.300 0.123 0.000 0.977 328 D CA 1.041 55.120 54.000 0.131 0.000 0.844 328 D CB 0.106 41.032 40.800 0.209 0.000 1.002 328 D HN 0.287 nan 8.370 nan 0.000 0.461 329 E N -0.076 120.214 120.200 0.151 0.000 2.200 329 E HA -0.358 3.993 4.350 0.000 0.000 0.211 329 E C 1.760 178.451 176.600 0.152 0.000 1.048 329 E CA 1.662 58.156 56.400 0.157 0.000 0.851 329 E CB -0.230 29.563 29.700 0.156 0.000 0.747 329 E HN 0.318 nan 8.360 nan 0.000 0.462 330 A N 1.318 124.190 122.820 0.087 0.000 1.826 330 A HA -0.140 4.180 4.320 0.000 0.000 0.214 330 A C 2.247 179.836 177.584 0.009 0.000 1.212 330 A CA 1.465 53.519 52.037 0.028 0.000 0.605 330 A CB -0.775 18.219 19.000 -0.010 0.000 0.861 330 A HN 0.331 nan 8.150 nan 0.000 0.447 331 R N -1.349 119.161 120.500 0.017 0.000 2.198 331 R HA -0.258 4.082 4.340 0.000 0.000 0.258 331 R C 1.868 178.167 176.300 -0.003 0.000 1.173 331 R CA 2.292 58.395 56.100 0.006 0.000 0.991 331 R CB -0.559 29.762 30.300 0.034 0.000 0.879 331 R HN 0.567 nan 8.270 nan 0.000 0.460 332 F N 0.620 120.474 119.950 -0.159 0.000 2.039 332 F HA -0.171 4.356 4.527 0.000 0.000 0.294 332 F C 2.047 177.763 175.800 -0.141 0.000 1.130 332 F CA 1.714 59.560 58.000 -0.257 0.000 1.189 332 F CB -0.808 37.842 39.000 -0.583 0.000 0.983 332 F HN -0.189 nan 8.300 nan 0.000 0.471 333 V N 0.342 120.094 119.914 -0.270 0.000 2.324 333 V HA -0.342 3.779 4.120 0.000 0.000 0.250 333 V C 2.522 178.410 176.094 -0.343 0.000 1.060 333 V CA 1.758 63.856 62.300 -0.338 0.000 1.042 333 V CB -1.206 30.488 31.823 -0.215 0.000 0.650 333 V HN 0.383 nan 8.190 nan 0.000 0.450 334 V N 0.740 120.511 119.914 -0.238 0.000 2.255 334 V HA -0.284 3.836 4.120 0.000 0.000 0.247 334 V C 2.379 178.381 176.094 -0.154 0.000 1.051 334 V CA 2.425 64.616 62.300 -0.182 0.000 1.018 334 V CB -0.798 30.955 31.823 -0.116 0.000 0.641 334 V HN 0.615 nan 8.190 nan 0.000 0.445 335 N N 0.047 118.649 118.700 -0.162 0.000 2.120 335 N HA -0.131 4.609 4.740 0.000 0.000 0.188 335 N C 1.887 177.311 175.510 -0.143 0.000 1.024 335 N CA 1.053 54.029 53.050 -0.125 0.000 0.852 335 N CB -0.416 38.006 38.487 -0.107 0.000 1.003 335 N HN 0.383 nan 8.380 nan 0.000 0.424 336 R N 0.538 120.867 120.500 -0.285 0.000 2.152 336 R HA 0.037 4.377 4.340 0.000 0.000 0.232 336 R C 1.785 178.089 176.300 0.005 0.000 1.117 336 R CA 0.486 56.460 56.100 -0.210 0.000 0.981 336 R CB -0.251 29.785 30.300 -0.440 0.000 0.870 336 R HN 0.295 nan 8.270 nan 0.000 0.451 337 I N 0.319 120.862 120.570 -0.046 0.000 2.628 337 I HA -0.087 4.083 4.170 0.000 0.000 0.255 337 I C 2.263 178.428 176.117 0.081 0.000 1.119 337 I CA 0.562 61.864 61.300 0.002 0.000 1.448 337 I CB -0.675 37.216 38.000 -0.182 0.000 1.133 337 I HN 0.084 nan 8.210 nan 0.000 0.438 338 K N 0.488 120.898 120.400 0.016 0.000 2.211 338 K HA -0.202 4.118 4.320 0.000 0.000 0.204 338 K C 2.096 178.741 176.600 0.075 0.000 1.047 338 K CA 1.674 57.985 56.287 0.040 0.000 0.935 338 K CB 0.099 32.599 32.500 0.001 0.000 0.728 338 K HN 0.164 nan 8.250 nan 0.000 0.452 339 T N -0.032 114.572 114.554 0.083 0.000 2.809 339 T HA -0.137 4.213 4.350 0.000 0.000 0.260 339 T C 1.320 176.102 174.700 0.137 0.000 1.039 339 T CA 0.890 63.039 62.100 0.083 0.000 1.141 339 T CB -0.302 68.602 68.868 0.060 0.000 0.869 339 T HN 0.522 nan 8.240 nan 0.000 0.437 340 W N 2.157 123.460 121.300 0.005 0.000 2.321 340 W HA -0.207 4.453 4.660 0.000 0.000 0.306 340 W C 2.024 178.558 176.519 0.024 0.000 1.217 340 W CA 1.872 59.232 57.345 0.024 0.000 1.257 340 W CB -0.708 28.779 29.460 0.046 0.000 1.145 340 W HN 0.474 nan 8.180 nan 0.000 0.509 341 Q N 0.374 120.385 119.800 0.351 0.000 1.990 341 Q HA -0.205 4.135 4.340 0.000 0.000 0.200 341 Q C 1.954 178.003 176.000 0.082 0.000 0.980 341 Q CA 2.071 58.012 55.803 0.231 0.000 0.832 341 Q CB -0.652 28.197 28.738 0.185 0.000 0.897 341 Q HN 0.014 nan 8.270 nan 0.000 0.427 342 D N 0.781 121.219 120.400 0.064 0.000 2.220 342 D HA -0.170 4.470 4.640 0.000 0.000 0.198 342 D C 0.079 176.373 176.300 -0.010 0.000 1.001 342 D CA 1.223 55.238 54.000 0.025 0.000 0.875 342 D CB -0.366 40.448 40.800 0.023 0.000 0.921 342 D HN 0.330 nan 8.370 nan 0.000 0.454 343 N N -0.276 118.395 118.700 -0.048 0.000 3.322 343 N HA 0.345 5.085 4.740 0.000 0.000 0.290 343 N C 0.363 175.776 175.510 -0.161 0.000 1.297 343 N CA 0.060 53.045 53.050 -0.109 0.000 1.167 343 N CB 0.903 39.299 38.487 -0.152 0.000 1.434 343 N HN -0.000 nan 8.380 nan 0.000 0.526 344 G N 0.708 109.457 108.800 -0.085 0.000 2.450 344 G HA2 -0.250 3.710 3.960 0.000 0.000 0.302 344 G HA3 -0.250 3.710 3.960 0.000 0.000 0.302 344 G C 0.463 175.299 174.900 -0.106 0.000 0.957 344 G CA 0.358 45.417 45.100 -0.068 0.000 1.005 344 G HN 0.567 nan 8.290 nan 0.000 0.514 345 G N -0.706 108.040 108.800 -0.090 0.000 2.322 345 G HA2 0.737 4.697 3.960 0.000 0.000 0.309 345 G HA3 0.737 4.697 3.960 0.000 0.000 0.309 345 G C 0.195 175.327 174.900 0.388 0.000 1.121 345 G CA 0.285 45.360 45.100 -0.041 0.000 0.886 345 G HN 1.412 nan 8.290 nan 0.000 0.447 346 A N 3.242 126.366 122.820 0.507 0.000 2.415 346 A HA 0.413 4.733 4.320 0.000 0.000 0.309 346 A C 1.342 179.135 177.584 0.349 0.000 1.356 346 A CA -0.597 51.661 52.037 0.369 0.000 0.998 346 A CB -0.030 19.152 19.000 0.303 0.000 1.145 346 A HN 0.779 nan 8.150 nan 0.000 0.545 347 L N 1.860 123.225 121.223 0.237 0.000 2.671 347 L HA -0.237 4.103 4.340 0.000 0.000 0.236 347 L C 2.313 179.218 176.870 0.058 0.000 1.178 347 L CA 1.591 56.492 54.840 0.101 0.000 0.829 347 L CB -0.569 41.537 42.059 0.078 0.000 0.956 347 L HN 0.712 nan 8.230 nan 0.000 0.455 348 A N -0.545 122.360 122.820 0.142 0.000 2.195 348 A HA 0.036 4.356 4.320 0.000 0.000 0.210 348 A C 1.670 179.382 177.584 0.214 0.000 1.165 348 A CA 0.059 52.190 52.037 0.156 0.000 0.806 348 A CB -0.121 19.034 19.000 0.258 0.000 0.847 348 A HN 0.477 nan 8.150 nan 0.000 0.482 349 E N -0.328 119.980 120.200 0.179 0.000 2.296 349 E HA 0.195 4.545 4.350 0.000 0.000 0.196 349 E C -0.442 176.146 176.600 -0.020 0.000 1.143 349 E CA -0.483 56.022 56.400 0.174 0.000 1.145 349 E CB -0.298 29.557 29.700 0.257 0.000 1.215 349 E HN 0.558 nan 8.360 nan 0.000 0.447 350 C N -0.246 119.022 119.300 -0.055 0.000 3.256 350 C HA 0.894 5.354 4.460 0.000 0.000 0.361 350 C C -0.456 174.240 174.990 -0.490 0.000 1.665 350 C CA -0.767 58.099 59.018 -0.254 0.000 1.445 350 C CB 1.638 29.164 27.740 -0.356 0.000 2.144 350 C HN 0.291 nan 8.230 nan 0.000 0.448 351 A N 1.214 123.707 122.820 -0.546 0.000 1.897 351 A HA 0.403 4.723 4.320 0.000 0.000 0.285 351 A C -0.965 176.326 177.584 -0.488 0.000 1.261 351 A CA -0.364 51.219 52.037 -0.757 0.000 0.936 351 A CB -0.382 17.619 19.000 -1.665 0.000 1.240 351 A HN 0.626 nan 8.150 nan 0.000 0.434 352 I N 2.732 123.035 120.570 -0.445 0.000 2.668 352 I HA 0.139 4.309 4.170 0.000 0.000 0.285 352 I C 0.125 175.997 176.117 -0.409 0.000 1.168 352 I CA 0.557 61.646 61.300 -0.352 0.000 1.424 352 I CB -0.125 37.691 38.000 -0.307 0.000 1.377 352 I HN 0.449 nan 8.210 nan 0.000 0.560 353 L N 8.154 129.197 121.223 -0.299 0.000 2.341 353 L HA 0.470 4.810 4.340 0.000 0.000 0.278 353 L C -0.582 176.119 176.870 -0.282 0.000 1.005 353 L CA -0.870 53.719 54.840 -0.418 0.000 0.818 353 L CB 1.580 43.492 42.059 -0.245 0.000 1.259 353 L HN 0.471 nan 8.230 nan 0.000 0.418 354 Y N 0.339 120.603 120.300 -0.060 0.000 2.630 354 Y HA 0.620 5.170 4.550 0.000 0.000 0.337 354 Y C 0.630 176.453 175.900 -0.128 0.000 1.051 354 Y CA -1.659 56.403 58.100 -0.065 0.000 1.121 354 Y CB 0.734 39.162 38.460 -0.053 0.000 1.299 354 Y HN 0.400 nan 8.280 nan 0.000 0.498 355 R N 0.871 121.399 120.500 0.046 0.000 2.254 355 R HA 0.248 4.588 4.340 0.000 0.000 0.195 355 R C -0.770 175.502 176.300 -0.048 0.000 0.957 355 R CA 0.737 56.740 56.100 -0.161 0.000 1.024 355 R CB -0.078 30.011 30.300 -0.353 0.000 0.952 355 R HN 0.765 nan 8.270 nan 0.000 0.484 356 S N -1.005 114.702 115.700 0.012 0.000 2.614 356 S HA 0.323 4.793 4.470 0.000 0.000 0.275 356 S C -0.108 174.372 174.600 -0.200 0.000 1.161 356 S CA -1.014 57.146 58.200 -0.067 0.000 0.969 356 S CB 1.310 64.452 63.200 -0.097 0.000 1.059 356 S HN 0.184 nan 8.310 nan 0.000 0.482 357 N N 2.213 120.806 118.700 -0.177 0.000 2.184 357 N HA -0.202 4.538 4.740 0.000 0.000 0.190 357 N C 1.924 177.185 175.510 -0.416 0.000 1.011 357 N CA 1.581 54.431 53.050 -0.334 0.000 0.867 357 N CB -0.455 37.972 38.487 -0.100 0.000 0.993 357 N HN 0.868 nan 8.380 nan 0.000 0.433 358 A N 1.589 124.260 122.820 -0.247 0.000 2.024 358 A HA -0.190 4.130 4.320 0.000 0.000 0.220 358 A C 2.110 179.553 177.584 -0.235 0.000 1.164 358 A CA 1.159 53.088 52.037 -0.180 0.000 0.643 358 A CB -0.453 18.499 19.000 -0.080 0.000 0.806 358 A HN 0.396 nan 8.150 nan 0.000 0.451 359 Q N 0.168 119.768 119.800 -0.333 0.000 2.291 359 Q HA -0.113 4.227 4.340 0.000 0.000 0.205 359 Q C 2.234 178.040 176.000 -0.323 0.000 0.970 359 Q CA 1.389 57.030 55.803 -0.271 0.000 0.876 359 Q CB -0.286 28.348 28.738 -0.173 0.000 0.935 359 Q HN 0.875 nan 8.270 nan 0.000 0.455 360 S N 0.725 116.077 115.700 -0.581 0.000 2.423 360 S HA -0.192 4.278 4.470 0.000 0.000 0.231 360 S C 1.862 176.352 174.600 -0.183 0.000 1.014 360 S CA 0.794 58.768 58.200 -0.377 0.000 0.965 360 S CB -0.168 62.775 63.200 -0.427 0.000 0.785 360 S HN 0.299 nan 8.310 nan 0.000 0.495 361 R N 1.485 121.888 120.500 -0.162 0.000 2.097 361 R HA -0.119 4.221 4.340 0.000 0.000 0.236 361 R C 2.100 178.342 176.300 -0.096 0.000 1.135 361 R CA 2.365 58.403 56.100 -0.104 0.000 0.934 361 R CB -0.977 29.276 30.300 -0.078 0.000 0.846 361 R HN 0.432 nan 8.270 nan 0.000 0.431 362 V N 0.546 120.409 119.914 -0.086 0.000 2.720 362 V HA -0.191 3.929 4.120 0.000 0.000 0.256 362 V C 2.319 178.363 176.094 -0.084 0.000 1.082 362 V CA 1.547 63.806 62.300 -0.069 0.000 1.101 362 V CB -0.740 31.053 31.823 -0.049 0.000 0.693 362 V HN 0.284 nan 8.190 nan 0.000 0.479 363 L N 0.036 121.195 121.223 -0.106 0.000 2.056 363 L HA -0.107 4.233 4.340 0.000 0.000 0.207 363 L C 2.793 179.522 176.870 -0.235 0.000 1.078 363 L CA 1.690 56.448 54.840 -0.137 0.000 0.749 363 L CB -0.626 41.370 42.059 -0.106 0.000 0.901 363 L HN 0.334 nan 8.230 nan 0.000 0.433 364 E N 0.104 120.135 120.200 -0.282 0.000 2.072 364 E HA -0.246 4.104 4.350 0.000 0.000 0.191 364 E C 2.042 178.517 176.600 -0.208 0.000 0.985 364 E CA 1.174 57.323 56.400 -0.417 0.000 0.801 364 E CB -0.061 29.455 29.700 -0.306 0.000 0.750 364 E HN 0.486 nan 8.360 nan 0.000 0.452 365 E N 0.740 120.872 120.200 -0.113 0.000 2.106 365 E HA -0.149 4.201 4.350 0.000 0.000 0.192 365 E C 1.979 178.547 176.600 -0.053 0.000 0.984 365 E CA 1.030 57.397 56.400 -0.055 0.000 0.806 365 E CB -0.061 29.617 29.700 -0.038 0.000 0.750 365 E HN 0.259 nan 8.360 nan 0.000 0.458 366 A N 0.597 123.372 122.820 -0.075 0.000 1.877 366 A HA -0.173 4.148 4.320 0.000 0.000 0.216 366 A C 2.123 179.667 177.584 -0.067 0.000 1.186 366 A CA 1.076 53.076 52.037 -0.062 0.000 0.620 366 A CB -0.681 18.277 19.000 -0.070 0.000 0.822 366 A HN 0.163 nan 8.150 nan 0.000 0.443 367 L N -0.560 120.595 121.223 -0.113 0.000 1.955 367 L HA -0.222 4.118 4.340 0.000 0.000 0.213 367 L C 2.608 179.479 176.870 0.001 0.000 1.072 367 L CA 1.600 56.386 54.840 -0.089 0.000 0.755 367 L CB -0.683 41.249 42.059 -0.212 0.000 0.888 367 L HN 0.380 nan 8.230 nan 0.000 0.432 368 L N -0.554 120.689 121.223 0.033 0.000 2.129 368 L HA -0.229 4.111 4.340 0.000 0.000 0.212 368 L C 2.227 179.120 176.870 0.037 0.000 1.087 368 L CA 0.758 55.647 54.840 0.082 0.000 0.757 368 L CB -0.511 41.609 42.059 0.101 0.000 0.896 368 L HN 0.344 nan 8.230 nan 0.000 0.434 369 Q N 0.705 120.512 119.800 0.012 0.000 2.387 369 Q HA 0.101 4.441 4.340 0.000 0.000 0.211 369 Q C 0.030 176.034 176.000 0.007 0.000 0.952 369 Q CA 0.528 56.335 55.803 0.007 0.000 0.957 369 Q CB 0.046 28.783 28.738 -0.002 0.000 1.002 369 Q HN 0.364 nan 8.270 nan 0.000 0.502 370 A N -0.582 122.245 122.820 0.012 0.000 3.411 370 A HA 0.334 4.654 4.320 0.000 0.000 0.238 370 A C 0.033 177.630 177.584 0.021 0.000 1.140 370 A CA -0.162 51.882 52.037 0.010 0.000 0.980 370 A CB -0.322 18.676 19.000 -0.004 0.000 1.371 370 A HN 0.124 nan 8.150 nan 0.000 0.700 371 S N 0.534 116.250 115.700 0.027 0.000 3.256 371 S HA -0.187 4.283 4.470 0.000 0.000 0.262 371 S C 0.181 174.803 174.600 0.037 0.000 0.668 371 S CA 1.448 59.667 58.200 0.031 0.000 1.336 371 S CB -1.156 62.058 63.200 0.024 0.000 0.792 371 S HN 0.736 nan 8.310 nan 0.000 0.383 372 M N 2.372 122.005 119.600 0.055 0.000 2.035 372 M HA 0.256 4.736 4.480 0.000 0.000 0.286 372 M C -2.357 174.016 176.300 0.121 0.000 0.907 372 M CA -1.949 53.388 55.300 0.063 0.000 0.935 372 M CB 1.999 34.622 32.600 0.038 0.000 1.557 372 M HN 0.033 nan 8.290 nan 0.000 0.426 373 P HA 0.156 nan 4.420 nan 0.000 0.271 373 P C -1.502 175.862 177.300 0.107 0.000 1.238 373 P CA 0.483 63.589 63.100 0.009 0.000 0.794 373 P CB 0.519 32.185 31.700 -0.057 0.000 0.959 374 Y N -3.058 117.205 120.300 -0.061 0.000 2.981 374 Y HA 0.647 5.198 4.550 0.000 0.000 0.359 374 Y C -1.491 174.369 175.900 -0.067 0.000 1.359 374 Y CA -1.375 56.684 58.100 -0.068 0.000 1.105 374 Y CB 0.737 39.161 38.460 -0.061 0.000 1.840 374 Y HN 0.606 nan 8.280 nan 0.000 0.426 375 R N 1.314 121.914 120.500 0.166 0.000 3.262 375 R HA 0.508 4.848 4.340 0.000 0.000 0.270 375 R C -1.978 174.438 176.300 0.193 0.000 1.147 375 R CA -0.736 55.382 56.100 0.030 0.000 1.189 375 R CB 0.510 30.713 30.300 -0.162 0.000 1.271 375 R HN 0.637 nan 8.270 nan 0.000 0.447 376 I N 2.240 122.947 120.570 0.228 0.000 3.138 376 I HA 0.070 4.241 4.170 0.000 0.000 0.288 376 I C 0.460 176.707 176.117 0.216 0.000 1.148 376 I CA -0.446 61.017 61.300 0.271 0.000 1.315 376 I CB 0.035 38.175 38.000 0.233 0.000 1.426 376 I HN 0.708 nan 8.210 nan 0.000 0.615 377 Y N 1.053 121.396 120.300 0.071 0.000 2.681 377 Y HA 0.325 4.875 4.550 0.000 0.000 0.267 377 Y C 1.375 177.315 175.900 0.068 0.000 1.166 377 Y CA -0.621 57.511 58.100 0.052 0.000 1.209 377 Y CB -0.058 38.428 38.460 0.043 0.000 1.161 377 Y HN 0.646 nan 8.280 nan 0.000 0.534 378 G N 0.390 109.295 108.800 0.175 0.000 2.464 378 G HA2 0.220 4.180 3.960 0.000 0.000 0.231 378 G HA3 0.220 4.180 3.960 0.000 0.000 0.231 378 G C 1.041 175.995 174.900 0.090 0.000 1.267 378 G CA 0.232 45.408 45.100 0.127 0.000 0.863 378 G HN 0.494 nan 8.290 nan 0.000 0.559 379 G N 0.619 109.471 108.800 0.087 0.000 2.190 379 G HA2 0.257 4.217 3.960 0.000 0.000 0.295 379 G HA3 0.257 4.217 3.960 0.000 0.000 0.295 379 G C 0.813 175.741 174.900 0.047 0.000 1.507 379 G CA 0.716 45.858 45.100 0.070 0.000 1.034 379 G HN 1.538 nan 8.290 nan 0.000 0.483 380 M N -0.638 118.989 119.600 0.045 0.000 2.691 380 M HA -0.124 4.356 4.480 0.000 0.000 0.185 380 M C 0.263 176.587 176.300 0.039 0.000 0.998 380 M CA 0.118 55.440 55.300 0.035 0.000 0.632 380 M CB -1.372 31.243 32.600 0.024 0.000 1.219 380 M HN 0.596 nan 8.290 nan 0.000 0.829 381 R N 0.125 120.655 120.500 0.050 0.000 2.531 381 R HA 0.426 4.766 4.340 0.000 0.000 0.273 381 R C 1.173 177.543 176.300 0.117 0.000 1.070 381 R CA -0.202 55.935 56.100 0.061 0.000 1.112 381 R CB 0.289 30.608 30.300 0.032 0.000 1.049 381 R HN 0.423 nan 8.270 nan 0.000 0.508 382 F N 2.067 121.996 119.950 -0.035 0.000 2.132 382 F HA -0.380 4.147 4.527 0.000 0.000 0.294 382 F C 1.403 177.323 175.800 0.200 0.000 1.157 382 F CA 1.836 59.855 58.000 0.032 0.000 1.258 382 F CB -0.336 38.624 39.000 -0.067 0.000 0.927 382 F HN 0.521 nan 8.300 nan 0.000 0.535 383 F N 0.240 120.318 119.950 0.215 0.000 2.608 383 F HA -0.168 4.359 4.527 0.000 0.000 0.293 383 F C 1.701 177.491 175.800 -0.017 0.000 1.163 383 F CA 0.625 58.666 58.000 0.067 0.000 1.488 383 F CB -0.475 38.568 39.000 0.072 0.000 1.116 383 F HN 0.355 nan 8.300 nan 0.000 0.613 384 E N -0.195 120.091 120.200 0.142 0.000 2.434 384 E HA 0.062 4.412 4.350 0.000 0.000 0.207 384 E C 0.458 177.062 176.600 0.006 0.000 0.929 384 E CA -0.286 56.156 56.400 0.070 0.000 1.001 384 E CB 0.300 30.043 29.700 0.072 0.000 1.016 384 E HN 0.325 nan 8.360 nan 0.000 0.502 385 R N 2.529 123.001 120.500 -0.047 0.000 2.585 385 R HA -0.075 4.265 4.340 0.000 0.000 0.275 385 R C 1.573 177.822 176.300 -0.086 0.000 1.018 385 R CA 0.191 56.236 56.100 -0.091 0.000 1.072 385 R CB 0.214 30.401 30.300 -0.188 0.000 0.953 385 R HN 0.269 nan 8.270 nan 0.000 0.419 386 Q N 3.237 123.008 119.800 -0.048 0.000 2.014 386 Q HA -0.300 4.040 4.340 0.000 0.000 0.207 386 Q C 1.409 177.388 176.000 -0.035 0.000 0.993 386 Q CA 1.855 57.650 55.803 -0.014 0.000 0.850 386 Q CB -0.400 28.359 28.738 0.035 0.000 0.916 386 Q HN 0.762 nan 8.270 nan 0.000 0.417 387 E N 0.775 120.909 120.200 -0.109 0.000 2.208 387 E HA -0.241 4.110 4.350 0.000 0.000 0.202 387 E C 1.823 178.307 176.600 -0.192 0.000 1.014 387 E CA 1.581 57.817 56.400 -0.273 0.000 0.819 387 E CB -0.313 28.966 29.700 -0.702 0.000 0.735 387 E HN 0.500 nan 8.360 nan 0.000 0.469 388 I N 1.462 121.920 120.570 -0.187 0.000 2.400 388 I HA -0.110 4.060 4.170 0.000 0.000 0.248 388 I C 2.333 178.402 176.117 -0.079 0.000 1.109 388 I CA 1.018 62.225 61.300 -0.154 0.000 1.425 388 I CB -0.147 37.708 38.000 -0.243 0.000 1.094 388 I HN -0.030 nan 8.210 nan 0.000 0.425 389 K N 0.428 120.792 120.400 -0.061 0.000 2.362 389 K HA -0.126 4.194 4.320 0.000 0.000 0.200 389 K C 1.254 177.854 176.600 0.001 0.000 1.046 389 K CA 0.935 57.200 56.287 -0.036 0.000 0.952 389 K CB -0.162 32.322 32.500 -0.027 0.000 0.753 389 K HN 0.353 nan 8.250 nan 0.000 0.466 390 D N 1.312 121.738 120.400 0.043 0.000 2.085 390 D HA -0.107 4.534 4.640 0.000 0.000 0.199 390 D C 2.010 178.423 176.300 0.189 0.000 0.981 390 D CA 1.275 55.347 54.000 0.120 0.000 0.834 390 D CB -0.308 40.623 40.800 0.219 0.000 0.992 390 D HN 0.107 nan 8.370 nan 0.000 0.457 391 A N 1.415 124.327 122.820 0.153 0.000 1.884 391 A HA -0.188 4.133 4.320 0.000 0.000 0.219 391 A C 2.418 180.077 177.584 0.125 0.000 1.197 391 A CA 1.421 53.545 52.037 0.145 0.000 0.637 391 A CB -1.036 17.992 19.000 0.047 0.000 0.827 391 A HN 0.245 nan 8.150 nan 0.000 0.450 392 L N -0.851 120.398 121.223 0.044 0.000 2.291 392 L HA -0.075 4.265 4.340 0.000 0.000 0.214 392 L C 2.680 179.558 176.870 0.013 0.000 1.120 392 L CA 1.000 55.847 54.840 0.012 0.000 0.799 392 L CB -0.495 41.528 42.059 -0.060 0.000 0.925 392 L HN 0.342 nan 8.230 nan 0.000 0.446 393 S N -0.794 114.912 115.700 0.010 0.000 2.368 393 S HA -0.147 4.324 4.470 0.000 0.000 0.224 393 S C 1.945 176.508 174.600 -0.063 0.000 1.029 393 S CA 1.147 59.315 58.200 -0.054 0.000 0.988 393 S CB -0.205 62.924 63.200 -0.117 0.000 0.838 393 S HN 0.340 nan 8.310 nan 0.000 0.462 394 Y N 2.062 122.369 120.300 0.012 0.000 2.128 394 Y HA -0.093 4.457 4.550 0.000 0.000 0.284 394 Y C 2.196 178.080 175.900 -0.026 0.000 1.154 394 Y CA 1.109 59.212 58.100 0.004 0.000 1.149 394 Y CB -0.487 37.975 38.460 0.003 0.000 0.976 394 Y HN 0.176 nan 8.280 nan 0.000 0.505 395 L N -0.344 120.955 121.223 0.127 0.000 2.081 395 L HA -0.297 4.043 4.340 0.000 0.000 0.212 395 L C 2.454 179.324 176.870 0.000 0.000 1.080 395 L CA 1.599 56.462 54.840 0.039 0.000 0.754 395 L CB -0.732 41.339 42.059 0.019 0.000 0.893 395 L HN 0.292 nan 8.230 nan 0.000 0.433 396 R N 0.222 120.717 120.500 -0.009 0.000 2.066 396 R HA -0.109 4.231 4.340 0.000 0.000 0.232 396 R C 2.338 178.606 176.300 -0.054 0.000 1.131 396 R CA 1.066 57.145 56.100 -0.036 0.000 0.955 396 R CB -0.483 29.794 30.300 -0.038 0.000 0.851 396 R HN 0.341 nan 8.270 nan 0.000 0.432 397 L N 0.829 122.024 121.223 -0.047 0.000 2.129 397 L HA -0.219 4.122 4.340 0.000 0.000 0.212 397 L C 2.345 179.134 176.870 -0.136 0.000 1.087 397 L CA 0.875 55.664 54.840 -0.086 0.000 0.757 397 L CB -0.423 41.608 42.059 -0.047 0.000 0.896 397 L HN 0.185 nan 8.230 nan 0.000 0.434 398 I N -0.065 120.459 120.570 -0.077 0.000 2.193 398 I HA -0.182 3.988 4.170 0.000 0.000 0.240 398 I C 2.805 178.864 176.117 -0.098 0.000 1.084 398 I CA 1.819 63.069 61.300 -0.082 0.000 1.365 398 I CB -1.331 36.643 38.000 -0.043 0.000 1.064 398 I HN 0.150 nan 8.210 nan 0.000 0.410 399 V N 0.538 120.404 119.914 -0.081 0.000 2.913 399 V HA -0.111 4.009 4.120 0.000 0.000 0.260 399 V C 0.722 176.753 176.094 -0.103 0.000 1.098 399 V CA 1.705 63.956 62.300 -0.082 0.000 1.121 399 V CB -0.722 31.059 31.823 -0.069 0.000 0.714 399 V HN 0.556 nan 8.190 nan 0.000 0.487 400 N N -2.064 116.558 118.700 -0.130 0.000 2.864 400 N HA 0.359 5.099 4.740 0.000 0.000 0.247 400 N C -0.234 175.139 175.510 -0.228 0.000 1.071 400 N CA -0.549 52.404 53.050 -0.162 0.000 1.056 400 N CB 0.935 39.356 38.487 -0.110 0.000 1.661 400 N HN 0.066 nan 8.380 nan 0.000 0.570 401 R N 1.387 121.653 120.500 -0.389 0.000 2.325 401 R HA 0.332 4.672 4.340 0.000 0.000 0.214 401 R C 0.101 176.194 176.300 -0.345 0.000 0.961 401 R CA 0.273 55.986 56.100 -0.644 0.000 1.086 401 R CB -0.040 29.351 30.300 -1.515 0.000 1.037 401 R HN 0.476 nan 8.270 nan 0.000 0.493 402 N N -0.057 118.544 118.700 -0.165 0.000 2.235 402 N HA -0.036 4.704 4.740 0.000 0.000 0.231 402 N C -0.606 174.895 175.510 -0.015 0.000 1.177 402 N CA 0.071 53.089 53.050 -0.054 0.000 0.874 402 N CB 0.734 39.185 38.487 -0.060 0.000 1.097 402 N HN 0.097 nan 8.380 nan 0.000 0.518 403 D N 1.554 121.956 120.400 0.003 0.000 2.671 403 D HA 0.012 4.652 4.640 0.000 0.000 0.228 403 D C 0.500 176.838 176.300 0.063 0.000 1.102 403 D CA -0.062 53.946 54.000 0.013 0.000 1.044 403 D CB 0.164 40.965 40.800 0.001 0.000 1.113 403 D HN 0.041 nan 8.370 nan 0.000 0.480 404 D N 1.043 121.460 120.400 0.029 0.000 2.286 404 D HA -0.259 4.381 4.640 0.000 0.000 0.195 404 D C 1.809 178.147 176.300 0.063 0.000 1.012 404 D CA 1.727 55.739 54.000 0.020 0.000 0.901 404 D CB 0.268 41.041 40.800 -0.046 0.000 0.903 404 D HN 0.485 nan 8.370 nan 0.000 0.451 405 A N 0.091 122.930 122.820 0.032 0.000 1.872 405 A HA 0.126 4.446 4.320 0.000 0.000 0.214 405 A C 2.274 179.885 177.584 0.044 0.000 1.187 405 A CA 1.894 53.946 52.037 0.026 0.000 0.614 405 A CB -0.837 18.155 19.000 -0.014 0.000 0.826 405 A HN 0.244 nan 8.150 nan 0.000 0.442 406 A N -0.936 121.908 122.820 0.040 0.000 1.877 406 A HA -0.039 4.282 4.320 0.000 0.000 0.216 406 A C 2.067 179.680 177.584 0.048 0.000 1.186 406 A CA 1.508 53.551 52.037 0.011 0.000 0.620 406 A CB -0.787 18.210 19.000 -0.006 0.000 0.822 406 A HN 0.629 nan 8.150 nan 0.000 0.443 407 F N 0.450 120.399 119.950 -0.002 0.000 1.997 407 F HA -0.213 4.314 4.527 0.000 0.000 0.296 407 F C 2.246 178.027 175.800 -0.032 0.000 1.160 407 F CA 2.203 60.232 58.000 0.048 0.000 1.176 407 F CB -0.265 38.806 39.000 0.117 0.000 0.964 407 F HN 0.300 nan 8.300 nan 0.000 0.484 408 E N 0.272 120.789 120.200 0.529 0.000 2.492 408 E HA -0.264 4.086 4.350 0.000 0.000 0.204 408 E C 2.096 178.748 176.600 0.087 0.000 1.073 408 E CA 0.549 57.128 56.400 0.298 0.000 0.887 408 E CB -0.116 29.676 29.700 0.153 0.000 0.813 408 E HN 0.423 nan 8.360 nan 0.000 0.562 409 R N -0.148 120.366 120.500 0.024 0.000 2.056 409 R HA -0.040 4.300 4.340 0.000 0.000 0.215 409 R C 2.107 178.342 176.300 -0.108 0.000 1.205 409 R CA 1.207 57.285 56.100 -0.036 0.000 1.020 409 R CB 0.153 30.432 30.300 -0.035 0.000 0.911 409 R HN 0.151 nan 8.270 nan 0.000 0.451 410 V N -0.234 119.555 119.914 -0.208 0.000 3.633 410 V HA 0.094 4.214 4.120 0.000 0.000 0.283 410 V C 1.822 177.696 176.094 -0.368 0.000 1.305 410 V CA 0.378 62.496 62.300 -0.303 0.000 1.153 410 V CB 0.114 31.516 31.823 -0.702 0.000 0.950 410 V HN 0.168 nan 8.190 nan 0.000 0.432 411 V N 2.038 121.614 119.914 -0.564 0.000 2.295 411 V HA -0.117 4.003 4.120 0.000 0.000 0.246 411 V C 1.529 177.130 176.094 -0.821 0.000 1.049 411 V CA 2.653 64.228 62.300 -1.210 0.000 1.024 411 V CB -0.362 30.786 31.823 -1.124 0.000 0.648 411 V HN 0.809 nan 8.190 nan 0.000 0.447 412 N N 0.695 119.162 118.700 -0.388 0.000 2.660 412 N HA 0.224 4.964 4.740 0.000 0.000 0.316 412 N C -0.980 174.467 175.510 -0.104 0.000 1.774 412 N CA 0.384 53.305 53.050 -0.215 0.000 0.946 412 N CB 0.288 38.676 38.487 -0.165 0.000 1.322 412 N HN 0.612 nan 8.380 nan 0.000 0.492 413 T N -1.170 113.351 114.554 -0.055 0.000 3.798 413 T HA 0.363 4.713 4.350 0.000 0.000 0.339 413 T C -3.200 171.588 174.700 0.146 0.000 0.967 413 T CA -1.249 60.858 62.100 0.012 0.000 1.046 413 T CB 1.500 70.366 68.868 -0.004 0.000 1.092 413 T HN -0.090 nan 8.240 nan 0.000 0.465 414 P HA 0.156 nan 4.420 nan 0.000 0.264 414 P C 0.774 178.077 177.300 0.006 0.000 1.193 414 P CA 0.126 63.237 63.100 0.019 0.000 0.763 414 P CB 0.130 31.828 31.700 -0.002 0.000 0.810 415 T N 1.091 115.628 114.554 -0.028 0.000 2.656 415 T HA -0.115 4.235 4.350 0.000 0.000 0.258 415 T C 0.481 175.169 174.700 -0.020 0.000 1.020 415 T CA -0.057 62.023 62.100 -0.034 0.000 1.191 415 T CB -0.450 68.395 68.868 -0.039 0.000 1.004 415 T HN 0.563 nan 8.240 nan 0.000 0.498 416 R N 2.343 122.830 120.500 -0.023 0.000 2.834 416 R HA 0.519 4.859 4.340 0.000 0.000 0.362 416 R C 0.830 177.120 176.300 -0.017 0.000 1.147 416 R CA -0.652 55.446 56.100 -0.003 0.000 1.125 416 R CB -0.400 29.922 30.300 0.037 0.000 1.361 416 R HN 0.940 nan 8.270 nan 0.000 0.598 417 G N 1.982 110.767 108.800 -0.025 0.000 2.352 417 G HA2 -0.235 3.725 3.960 0.000 0.000 0.283 417 G HA3 -0.235 3.725 3.960 0.000 0.000 0.283 417 G C -0.148 174.731 174.900 -0.034 0.000 0.946 417 G CA 0.281 45.366 45.100 -0.025 0.000 1.317 417 G HN 0.582 nan 8.290 nan 0.000 0.478 418 I N 1.095 121.635 120.570 -0.051 0.000 2.603 418 I HA 0.361 4.531 4.170 0.000 0.000 0.276 418 I C 0.954 177.038 176.117 -0.055 0.000 1.133 418 I CA -0.457 60.805 61.300 -0.062 0.000 1.070 418 I CB 1.156 39.087 38.000 -0.116 0.000 1.215 418 I HN 0.377 nan 8.210 nan 0.000 0.487 419 G N 2.657 111.435 108.800 -0.036 0.000 2.588 419 G HA2 0.248 4.208 3.960 0.000 0.000 0.281 419 G HA3 0.248 4.208 3.960 0.000 0.000 0.281 419 G C 0.376 175.263 174.900 -0.022 0.000 1.236 419 G CA -0.163 44.920 45.100 -0.028 0.000 0.969 419 G HN 0.602 nan 8.290 nan 0.000 0.504 420 D N -0.568 119.822 120.400 -0.017 0.000 2.123 420 D HA -0.091 4.549 4.640 0.000 0.000 0.200 420 D C 2.304 178.599 176.300 -0.009 0.000 0.976 420 D CA 0.631 54.625 54.000 -0.010 0.000 0.831 420 D CB -0.154 40.641 40.800 -0.008 0.000 0.974 420 D HN 0.403 nan 8.370 nan 0.000 0.469 421 R N 0.299 120.793 120.500 -0.010 0.000 2.119 421 R HA -0.142 4.198 4.340 0.000 0.000 0.246 421 R C 2.147 178.441 176.300 -0.010 0.000 1.146 421 R CA 1.970 58.064 56.100 -0.010 0.000 0.962 421 R CB -0.967 29.327 30.300 -0.010 0.000 0.863 421 R HN 0.294 nan 8.270 nan 0.000 0.442 422 T N 1.515 116.063 114.554 -0.011 0.000 2.732 422 T HA -0.029 4.321 4.350 0.000 0.000 0.261 422 T C 2.011 176.707 174.700 -0.006 0.000 1.040 422 T CA 0.915 63.009 62.100 -0.010 0.000 1.145 422 T CB -0.204 68.656 68.868 -0.012 0.000 0.866 422 T HN 0.114 nan 8.240 nan 0.000 0.427 423 L N 1.373 122.595 121.223 -0.003 0.000 2.046 423 L HA -0.132 4.208 4.340 0.000 0.000 0.208 423 L C 2.451 179.317 176.870 -0.007 0.000 1.077 423 L CA 1.312 56.156 54.840 0.006 0.000 0.747 423 L CB -0.816 41.252 42.059 0.015 0.000 0.896 423 L HN 0.229 nan 8.230 nan 0.000 0.432 424 D N -0.140 120.255 120.400 -0.008 0.000 2.265 424 D HA -0.142 4.498 4.640 0.000 0.000 0.208 424 D C 2.218 178.509 176.300 -0.016 0.000 0.977 424 D CA 1.092 55.086 54.000 -0.011 0.000 0.871 424 D CB -0.011 40.784 40.800 -0.009 0.000 0.925 424 D HN 0.218 nan 8.370 nan 0.000 0.485 425 V N 0.889 120.793 119.914 -0.016 0.000 2.273 425 V HA -0.194 3.926 4.120 0.000 0.000 0.242 425 V C 2.783 178.860 176.094 -0.027 0.000 1.035 425 V CA 0.961 63.249 62.300 -0.019 0.000 1.013 425 V CB -0.608 31.205 31.823 -0.016 0.000 0.652 425 V HN 0.038 nan 8.190 nan 0.000 0.452 426 V N 0.511 120.407 119.914 -0.031 0.000 2.370 426 V HA -0.331 3.789 4.120 0.000 0.000 0.252 426 V C 2.523 178.576 176.094 -0.068 0.000 1.068 426 V CA 2.236 64.504 62.300 -0.053 0.000 1.061 426 V CB -1.144 30.643 31.823 -0.061 0.000 0.656 426 V HN 0.484 nan 8.190 nan 0.000 0.455 427 R N 0.671 121.138 120.500 -0.055 0.000 2.064 427 R HA -0.204 4.137 4.340 0.000 0.000 0.228 427 R C 2.553 178.828 176.300 -0.042 0.000 1.144 427 R CA 1.773 57.842 56.100 -0.053 0.000 0.932 427 R CB -0.703 29.576 30.300 -0.035 0.000 0.833 427 R HN 0.754 nan 8.270 nan 0.000 0.429 428 Q N 0.624 120.406 119.800 -0.031 0.000 2.308 428 Q HA -0.158 4.182 4.340 0.000 0.000 0.209 428 Q C 1.148 177.131 176.000 -0.028 0.000 0.985 428 Q CA 1.977 57.764 55.803 -0.026 0.000 0.881 428 Q CB -0.173 28.552 28.738 -0.020 0.000 0.917 428 Q HN 0.222 nan 8.270 nan 0.000 0.443 429 T N 0.258 114.792 114.554 -0.033 0.000 2.706 429 T HA -0.119 4.232 4.350 0.000 0.000 0.255 429 T C 1.910 176.587 174.700 -0.037 0.000 1.048 429 T CA 1.189 63.269 62.100 -0.032 0.000 1.153 429 T CB -0.461 68.386 68.868 -0.036 0.000 0.865 429 T HN 0.423 nan 8.240 nan 0.000 0.414 430 S N 0.969 116.638 115.700 -0.052 0.000 2.381 430 S HA -0.271 4.200 4.470 0.000 0.000 0.230 430 S C 2.174 176.747 174.600 -0.044 0.000 1.052 430 S CA 2.259 60.423 58.200 -0.059 0.000 1.068 430 S CB -0.301 62.845 63.200 -0.090 0.000 0.918 430 S HN 0.472 nan 8.310 nan 0.000 0.448 431 R N 0.759 121.236 120.500 -0.040 0.000 2.075 431 R HA -0.109 4.231 4.340 0.000 0.000 0.230 431 R C 1.800 178.085 176.300 -0.024 0.000 1.140 431 R CA 2.284 58.365 56.100 -0.030 0.000 0.928 431 R CB -0.676 29.608 30.300 -0.026 0.000 0.834 431 R HN 0.366 nan 8.270 nan 0.000 0.429 432 D N 0.009 120.395 120.400 -0.023 0.000 2.218 432 D HA -0.138 4.502 4.640 0.000 0.000 0.204 432 D C 1.338 177.628 176.300 -0.017 0.000 0.976 432 D CA 1.188 55.177 54.000 -0.019 0.000 0.853 432 D CB -0.074 40.716 40.800 -0.018 0.000 0.939 432 D HN 0.383 nan 8.370 nan 0.000 0.481 433 R N 0.225 120.714 120.500 -0.019 0.000 2.427 433 R HA 0.151 4.491 4.340 0.000 0.000 0.262 433 R C -0.128 176.162 176.300 -0.016 0.000 0.943 433 R CA -0.151 55.940 56.100 -0.015 0.000 1.081 433 R CB 0.307 30.598 30.300 -0.014 0.000 1.166 433 R HN 0.112 nan 8.270 nan 0.000 0.534 434 Q N 1.087 120.876 119.800 -0.019 0.000 2.448 434 Q HA -0.195 4.145 4.340 0.000 0.000 0.356 434 Q C -0.914 175.073 176.000 -0.021 0.000 1.430 434 Q CA 0.622 56.412 55.803 -0.021 0.000 1.011 434 Q CB -1.265 27.464 28.738 -0.016 0.000 1.203 434 Q HN 0.385 nan 8.270 nan 0.000 0.351 435 L N -0.828 120.378 121.223 -0.028 0.000 2.277 435 L HA 0.604 4.944 4.340 0.000 0.000 0.254 435 L C 1.012 177.858 176.870 -0.040 0.000 1.044 435 L CA -0.861 53.965 54.840 -0.023 0.000 0.842 435 L CB 1.806 43.857 42.059 -0.014 0.000 1.422 435 L HN 0.329 nan 8.230 nan 0.000 0.422 436 T N -2.326 112.211 114.554 -0.029 0.000 2.770 436 T HA 0.350 4.700 4.350 0.000 0.000 0.281 436 T C 1.185 175.826 174.700 -0.099 0.000 0.981 436 T CA -0.587 61.482 62.100 -0.053 0.000 0.955 436 T CB 0.621 69.482 68.868 -0.012 0.000 1.060 436 T HN 0.456 nan 8.240 nan 0.000 0.531 437 L N -0.810 120.277 121.223 -0.227 0.000 2.023 437 L HA 0.030 4.370 4.340 0.000 0.000 0.205 437 L C 2.688 179.390 176.870 -0.280 0.000 1.073 437 L CA 1.179 55.753 54.840 -0.442 0.000 0.745 437 L CB -0.677 40.755 42.059 -1.046 0.000 0.900 437 L HN 0.747 nan 8.230 nan 0.000 0.435 438 W N 1.923 123.026 121.300 -0.330 0.000 2.341 438 W HA -0.227 4.433 4.660 0.000 0.000 0.283 438 W C 2.155 178.681 176.519 0.012 0.000 1.215 438 W CA 1.750 59.117 57.345 0.037 0.000 1.211 438 W CB -0.146 29.424 29.460 0.182 0.000 1.131 438 W HN 0.381 nan 8.180 nan 0.000 0.552 439 Q N -0.185 119.748 119.800 0.223 0.000 2.096 439 Q HA -0.079 4.261 4.340 0.000 0.000 0.197 439 Q C 2.590 178.611 176.000 0.034 0.000 0.964 439 Q CA 1.649 57.539 55.803 0.146 0.000 0.838 439 Q CB -0.625 28.168 28.738 0.092 0.000 0.906 439 Q HN 0.180 nan 8.270 nan 0.000 0.444 440 A N 0.301 123.110 122.820 -0.018 0.000 2.019 440 A HA -0.167 4.154 4.320 0.000 0.000 0.219 440 A C 2.238 179.790 177.584 -0.053 0.000 1.164 440 A CA 1.078 53.090 52.037 -0.042 0.000 0.644 440 A CB -0.771 18.188 19.000 -0.068 0.000 0.805 440 A HN 0.464 nan 8.150 nan 0.000 0.449 441 C N -1.135 118.119 119.300 -0.077 0.000 2.453 441 C HA -0.014 4.446 4.460 0.000 0.000 0.277 441 C C 2.775 177.690 174.990 -0.125 0.000 1.262 441 C CA 0.725 59.681 59.018 -0.104 0.000 1.718 441 C CB -1.089 26.566 27.740 -0.142 0.000 2.031 441 C HN 0.531 nan 8.230 nan 0.000 0.480 442 R N 1.320 121.738 120.500 -0.137 0.000 2.117 442 R HA -0.093 4.248 4.340 0.000 0.000 0.243 442 R C 2.006 178.283 176.300 -0.039 0.000 1.143 442 R CA 1.318 57.367 56.100 -0.085 0.000 0.968 442 R CB -0.686 29.618 30.300 0.006 0.000 0.863 442 R HN 0.680 nan 8.270 nan 0.000 0.444 443 E N 0.307 120.491 120.200 -0.027 0.000 2.021 443 E HA -0.042 4.308 4.350 0.000 0.000 0.189 443 E C 2.076 178.662 176.600 -0.024 0.000 0.980 443 E CA 0.482 56.872 56.400 -0.017 0.000 0.803 443 E CB -0.183 29.511 29.700 -0.011 0.000 0.766 443 E HN 0.241 nan 8.360 nan 0.000 0.449 444 L N 0.960 122.164 121.223 -0.031 0.000 2.447 444 L HA -0.130 4.210 4.340 0.000 0.000 0.225 444 L C 2.289 179.142 176.870 -0.029 0.000 1.148 444 L CA 0.725 55.548 54.840 -0.028 0.000 0.808 444 L CB -0.385 41.656 42.059 -0.030 0.000 0.928 444 L HN 0.133 nan 8.230 nan 0.000 0.448 445 L N -1.228 119.973 121.223 -0.036 0.000 2.221 445 L HA -0.095 4.246 4.340 0.000 0.000 0.202 445 L C 2.602 179.457 176.870 -0.025 0.000 1.074 445 L CA 0.548 55.367 54.840 -0.035 0.000 0.795 445 L CB -0.252 41.776 42.059 -0.052 0.000 0.960 445 L HN 0.235 nan 8.230 nan 0.000 0.458 446 Q N 0.899 120.686 119.800 -0.022 0.000 2.020 446 Q HA -0.237 4.103 4.340 0.000 0.000 0.202 446 Q C 1.655 177.649 176.000 -0.011 0.000 0.982 446 Q CA 1.807 57.602 55.803 -0.013 0.000 0.838 446 Q CB -0.002 28.732 28.738 -0.007 0.000 0.899 446 Q HN 0.488 nan 8.270 nan 0.000 0.423 447 E N 0.610 120.803 120.200 -0.011 0.000 2.463 447 E HA -0.129 4.221 4.350 0.000 0.000 0.201 447 E C -0.172 176.422 176.600 -0.010 0.000 1.045 447 E CA 0.353 56.747 56.400 -0.010 0.000 0.872 447 E CB -0.068 29.626 29.700 -0.011 0.000 0.797 447 E HN 0.267 nan 8.360 nan 0.000 0.538 448 K N -0.724 119.668 120.400 -0.012 0.000 3.071 448 K HA -0.240 4.081 4.320 0.000 0.000 0.262 448 K C 0.084 176.677 176.600 -0.011 0.000 0.977 448 K CA 0.260 56.539 56.287 -0.012 0.000 0.721 448 K CB -1.139 31.355 32.500 -0.009 0.000 1.293 448 K HN 0.260 nan 8.250 nan 0.000 0.475 449 A N 0.653 123.466 122.820 -0.013 0.000 2.577 449 A HA 0.345 4.665 4.320 0.000 0.000 0.280 449 A C 0.116 177.693 177.584 -0.012 0.000 1.331 449 A CA -0.229 51.801 52.037 -0.012 0.000 0.935 449 A CB 0.378 19.371 19.000 -0.012 0.000 1.082 449 A HN 0.247 nan 8.150 nan 0.000 0.525 450 L N -0.738 120.477 121.223 -0.013 0.000 2.333 450 L HA 0.686 5.026 4.340 0.000 0.000 0.263 450 L C 0.755 177.618 176.870 -0.011 0.000 1.014 450 L CA -1.098 53.734 54.840 -0.012 0.000 0.820 450 L CB 1.879 43.929 42.059 -0.014 0.000 1.352 450 L HN 0.268 nan 8.230 nan 0.000 0.421 451 A N 0.862 123.676 122.820 -0.010 0.000 2.504 451 A HA 0.260 4.580 4.320 0.000 0.000 0.242 451 A C 1.224 178.803 177.584 -0.009 0.000 1.100 451 A CA 0.732 52.764 52.037 -0.009 0.000 0.786 451 A CB -0.145 18.850 19.000 -0.009 0.000 1.050 451 A HN 0.982 nan 8.150 nan 0.000 0.512 452 G N -0.570 108.225 108.800 -0.008 0.000 2.404 452 G HA2 -0.175 3.785 3.960 0.000 0.000 0.214 452 G HA3 -0.175 3.785 3.960 0.000 0.000 0.214 452 G C 1.600 176.495 174.900 -0.007 0.000 1.189 452 G CA 1.068 46.164 45.100 -0.007 0.000 0.789 452 G HN 0.858 nan 8.290 nan 0.000 0.533 453 R N 0.598 121.094 120.500 -0.007 0.000 2.122 453 R HA -0.139 4.201 4.340 0.000 0.000 0.236 453 R C 2.833 179.128 176.300 -0.007 0.000 1.129 453 R CA 1.929 58.026 56.100 -0.007 0.000 0.925 453 R CB -0.652 29.643 30.300 -0.008 0.000 0.850 453 R HN 0.297 nan 8.270 nan 0.000 0.431 454 A N 0.582 123.397 122.820 -0.008 0.000 1.908 454 A HA -0.241 4.079 4.320 0.000 0.000 0.211 454 A C 2.378 179.958 177.584 -0.007 0.000 1.225 454 A CA 2.482 54.513 52.037 -0.009 0.000 0.689 454 A CB -1.638 17.356 19.000 -0.010 0.000 0.843 454 A HN 0.649 nan 8.150 nan 0.000 0.472 455 A N -1.261 121.554 122.820 -0.009 0.000 1.969 455 A HA -0.221 4.099 4.320 0.000 0.000 0.223 455 A C 2.599 180.179 177.584 -0.008 0.000 1.218 455 A CA 3.818 55.849 52.037 -0.011 0.000 0.667 455 A CB -1.590 17.402 19.000 -0.014 0.000 0.826 455 A HN 1.480 nan 8.150 nan 0.000 0.472 456 S N -0.710 114.987 115.700 -0.005 0.000 2.383 456 S HA 0.191 4.661 4.470 0.000 0.000 0.227 456 S C 2.214 176.818 174.600 0.006 0.000 1.026 456 S CA 2.086 60.284 58.200 -0.002 0.000 0.981 456 S CB -0.577 62.621 63.200 -0.002 0.000 0.818 456 S HN 1.177 nan 8.310 nan 0.000 0.472 457 A N 0.786 123.611 122.820 0.008 0.000 1.843 457 A HA 0.229 4.550 4.320 0.000 0.000 0.213 457 A C 2.185 179.793 177.584 0.041 0.000 1.202 457 A CA 1.535 53.584 52.037 0.019 0.000 0.607 457 A CB -0.842 18.161 19.000 0.005 0.000 0.847 457 A HN 0.621 nan 8.150 nan 0.000 0.445 458 L N 0.237 121.475 121.223 0.024 0.000 2.034 458 L HA -0.307 4.034 4.340 0.000 0.000 0.217 458 L C 2.574 179.490 176.870 0.077 0.000 1.077 458 L CA 2.934 57.799 54.840 0.041 0.000 0.769 458 L CB -0.833 41.235 42.059 0.016 0.000 0.890 458 L HN 0.663 nan 8.230 nan 0.000 0.435 459 Q N -0.913 118.900 119.800 0.020 0.000 2.119 459 Q HA -0.257 4.083 4.340 0.000 0.000 0.201 459 Q C 2.465 178.468 176.000 0.005 0.000 0.972 459 Q CA 1.575 57.368 55.803 -0.016 0.000 0.847 459 Q CB -0.236 28.486 28.738 -0.027 0.000 0.903 459 Q HN 0.531 nan 8.270 nan 0.000 0.433 460 R N -0.533 119.988 120.500 0.036 0.000 2.127 460 R HA -0.183 4.157 4.340 0.000 0.000 0.238 460 R C 2.032 178.371 176.300 0.065 0.000 1.134 460 R CA 1.478 57.601 56.100 0.039 0.000 0.975 460 R CB -0.312 30.015 30.300 0.045 0.000 0.865 460 R HN 0.354 nan 8.270 nan 0.000 0.447 461 F N 0.875 120.799 119.950 -0.044 0.000 2.039 461 F HA -0.162 4.365 4.527 0.000 0.000 0.294 461 F C 2.029 177.819 175.800 -0.017 0.000 1.130 461 F CA 1.777 59.755 58.000 -0.036 0.000 1.189 461 F CB -0.480 38.469 39.000 -0.084 0.000 0.983 461 F HN -0.094 nan 8.300 nan 0.000 0.471 462 M N 0.255 119.692 119.600 -0.273 0.000 2.146 462 M HA -0.296 4.184 4.480 0.000 0.000 0.256 462 M C 1.987 178.195 176.300 -0.153 0.000 1.075 462 M CA 2.238 57.289 55.300 -0.415 0.000 1.082 462 M CB -0.808 31.435 32.600 -0.595 0.000 1.355 462 M HN 0.296 nan 8.290 nan 0.000 0.402 463 E N 0.243 120.376 120.200 -0.112 0.000 2.150 463 E HA -0.182 4.168 4.350 0.000 0.000 0.193 463 E C 1.912 178.479 176.600 -0.055 0.000 0.985 463 E CA 0.857 57.233 56.400 -0.041 0.000 0.814 463 E CB -0.186 29.496 29.700 -0.029 0.000 0.752 463 E HN 0.325 nan 8.360 nan 0.000 0.466 464 L N 1.098 122.253 121.223 -0.113 0.000 2.131 464 L HA -0.152 4.188 4.340 0.000 0.000 0.210 464 L C 1.787 178.594 176.870 -0.104 0.000 1.092 464 L CA 1.525 56.303 54.840 -0.103 0.000 0.759 464 L CB -0.194 41.807 42.059 -0.097 0.000 0.903 464 L HN 0.111 nan 8.230 nan 0.000 0.435 465 I N -0.747 119.733 120.570 -0.149 0.000 2.141 465 I HA -0.219 3.951 4.170 0.000 0.000 0.236 465 I C 2.103 178.213 176.117 -0.010 0.000 1.071 465 I CA 1.245 62.504 61.300 -0.067 0.000 1.345 465 I CB -0.615 37.350 38.000 -0.058 0.000 1.066 465 I HN 0.200 nan 8.210 nan 0.000 0.406 466 D N 1.398 121.833 120.400 0.058 0.000 2.172 466 D HA -0.233 4.407 4.640 0.000 0.000 0.196 466 D C 2.165 178.468 176.300 0.005 0.000 0.999 466 D CA 1.739 55.766 54.000 0.046 0.000 0.856 466 D CB -0.188 40.674 40.800 0.103 0.000 0.934 466 D HN 0.397 nan 8.370 nan 0.000 0.453 467 A N 1.137 123.953 122.820 -0.006 0.000 1.865 467 A HA -0.171 4.149 4.320 0.000 0.000 0.217 467 A C 2.471 180.037 177.584 -0.029 0.000 1.191 467 A CA 1.129 53.154 52.037 -0.019 0.000 0.623 467 A CB -0.870 18.113 19.000 -0.028 0.000 0.826 467 A HN 0.212 nan 8.150 nan 0.000 0.444 468 L N -1.008 120.192 121.223 -0.037 0.000 2.093 468 L HA -0.183 4.158 4.340 0.000 0.000 0.208 468 L C 3.141 179.987 176.870 -0.040 0.000 1.085 468 L CA 0.978 55.792 54.840 -0.044 0.000 0.755 468 L CB -0.764 41.266 42.059 -0.049 0.000 0.904 468 L HN 0.485 nan 8.230 nan 0.000 0.435 469 A N -0.342 122.456 122.820 -0.036 0.000 1.892 469 A HA -0.258 4.062 4.320 0.000 0.000 0.218 469 A C 2.238 179.800 177.584 -0.036 0.000 1.188 469 A CA 1.639 53.651 52.037 -0.042 0.000 0.631 469 A CB -0.466 18.504 19.000 -0.050 0.000 0.822 469 A HN 0.443 nan 8.150 nan 0.000 0.447 470 Q N -0.864 118.919 119.800 -0.029 0.000 1.890 470 Q HA -0.199 4.142 4.340 0.000 0.000 0.208 470 Q C 1.975 177.958 176.000 -0.029 0.000 0.982 470 Q CA 1.549 57.338 55.803 -0.024 0.000 0.856 470 Q CB -0.462 28.265 28.738 -0.017 0.000 0.915 470 Q HN 0.762 nan 8.270 nan 0.000 0.427 471 E N -0.458 119.725 120.200 -0.030 0.000 2.312 471 E HA -0.238 4.112 4.350 0.000 0.000 0.209 471 E C 1.544 178.120 176.600 -0.040 0.000 1.047 471 E CA 1.612 57.991 56.400 -0.034 0.000 0.840 471 E CB -0.076 29.601 29.700 -0.038 0.000 0.738 471 E HN 0.221 nan 8.360 nan 0.000 0.478 472 T N -1.783 112.745 114.554 -0.044 0.000 2.975 472 T HA 0.340 4.690 4.350 0.000 0.000 0.257 472 T C 1.423 176.096 174.700 -0.045 0.000 1.003 472 T CA 0.496 62.566 62.100 -0.050 0.000 0.932 472 T CB 0.115 68.948 68.868 -0.060 0.000 1.087 472 T HN 0.234 nan 8.240 nan 0.000 0.512 473 A N 2.630 125.427 122.820 -0.038 0.000 1.891 473 A HA -0.219 4.101 4.320 0.000 0.000 0.221 473 A C 1.507 179.074 177.584 -0.030 0.000 1.394 473 A CA 2.399 54.416 52.037 -0.033 0.000 0.730 473 A CB -1.106 17.877 19.000 -0.028 0.000 0.845 473 A HN 0.693 nan 8.150 nan 0.000 0.471 474 D N -0.207 120.177 120.400 -0.025 0.000 2.403 474 D HA 0.093 4.733 4.640 0.000 0.000 0.260 474 D C 0.418 176.704 176.300 -0.024 0.000 1.243 474 D CA 0.442 54.429 54.000 -0.020 0.000 0.918 474 D CB -0.450 40.340 40.800 -0.017 0.000 0.939 474 D HN 0.473 nan 8.370 nan 0.000 0.507 475 M N 1.135 120.715 119.600 -0.033 0.000 2.573 475 M HA 0.324 4.804 4.480 0.000 0.000 0.309 475 M C -2.281 173.998 176.300 -0.034 0.000 1.202 475 M CA -1.872 53.402 55.300 -0.043 0.000 0.975 475 M CB 1.836 34.396 32.600 -0.067 0.000 1.600 475 M HN -0.246 nan 8.290 nan 0.000 0.479 476 P HA 0.134 nan 4.420 nan 0.000 0.290 476 P C 0.245 177.536 177.300 -0.014 0.000 1.276 476 P CA -0.451 62.657 63.100 0.013 0.000 0.808 476 P CB 1.258 32.996 31.700 0.065 0.000 0.966 477 L N 3.849 125.083 121.223 0.018 0.000 2.012 477 L HA -0.290 4.050 4.340 0.000 0.000 0.236 477 L C 2.624 179.455 176.870 -0.066 0.000 1.099 477 L CA 2.480 57.293 54.840 -0.046 0.000 0.821 477 L CB -1.464 40.559 42.059 -0.060 0.000 0.918 477 L HN 0.648 nan 8.230 nan 0.000 0.445 478 H N -1.836 117.168 119.070 -0.111 0.000 2.554 478 H HA -0.081 4.476 4.556 0.000 0.000 0.290 478 H C 1.737 177.023 175.328 -0.069 0.000 1.058 478 H CA 1.707 57.698 56.048 -0.095 0.000 1.224 478 H CB -0.734 28.994 29.762 -0.057 0.000 1.359 478 H HN 0.383 nan 8.280 nan 0.000 0.589 479 V N 0.733 120.321 119.914 -0.544 0.000 2.521 479 V HA -0.131 3.989 4.120 0.000 0.000 0.239 479 V C 2.883 178.845 176.094 -0.220 0.000 1.053 479 V CA 1.165 63.201 62.300 -0.441 0.000 1.073 479 V CB -0.396 31.184 31.823 -0.406 0.000 0.746 479 V HN 0.354 nan 8.190 nan 0.000 0.476 480 Q N 0.060 119.757 119.800 -0.172 0.000 2.152 480 Q HA -0.255 4.085 4.340 0.000 0.000 0.206 480 Q C 2.115 178.046 176.000 -0.115 0.000 0.985 480 Q CA 2.529 58.259 55.803 -0.120 0.000 0.863 480 Q CB -0.197 28.482 28.738 -0.100 0.000 0.904 480 Q HN 0.621 nan 8.270 nan 0.000 0.422 481 T N 0.487 114.963 114.554 -0.130 0.000 2.668 481 T HA -0.172 4.178 4.350 0.000 0.000 0.262 481 T C 1.255 175.902 174.700 -0.088 0.000 1.045 481 T CA 1.498 63.531 62.100 -0.112 0.000 1.152 481 T CB -0.561 68.228 68.868 -0.131 0.000 0.864 481 T HN 0.472 nan 8.240 nan 0.000 0.419 482 D N 0.400 120.745 120.400 -0.092 0.000 2.190 482 D HA -0.124 4.516 4.640 0.000 0.000 0.200 482 D C 2.324 178.579 176.300 -0.075 0.000 0.992 482 D CA 0.929 54.887 54.000 -0.070 0.000 0.854 482 D CB 0.106 40.862 40.800 -0.072 0.000 0.936 482 D HN -0.010 nan 8.370 nan 0.000 0.462 483 R N 0.016 120.462 120.500 -0.091 0.000 2.089 483 R HA -0.052 4.288 4.340 0.000 0.000 0.222 483 R C 2.523 178.765 176.300 -0.097 0.000 1.151 483 R CA 0.985 57.032 56.100 -0.088 0.000 0.908 483 R CB -1.228 29.019 30.300 -0.089 0.000 0.813 483 R HN 0.149 nan 8.270 nan 0.000 0.440 484 V N 2.267 122.119 119.914 -0.104 0.000 2.311 484 V HA -0.329 3.791 4.120 0.000 0.000 0.259 484 V C 2.455 178.447 176.094 -0.169 0.000 1.086 484 V CA 2.152 64.369 62.300 -0.137 0.000 1.078 484 V CB -0.617 31.151 31.823 -0.091 0.000 0.668 484 V HN 0.324 nan 8.190 nan 0.000 0.452 485 I N -0.638 119.869 120.570 -0.104 0.000 2.208 485 I HA -0.282 3.889 4.170 0.000 0.000 0.245 485 I C 2.571 178.639 176.117 -0.082 0.000 1.097 485 I CA 2.176 63.431 61.300 -0.076 0.000 1.363 485 I CB -0.417 37.563 38.000 -0.032 0.000 1.051 485 I HN 0.377 nan 8.210 nan 0.000 0.413 486 K N 1.137 121.490 120.400 -0.079 0.000 1.995 486 K HA -0.162 4.158 4.320 0.000 0.000 0.207 486 K C 1.491 178.033 176.600 -0.096 0.000 1.041 486 K CA 1.660 57.907 56.287 -0.067 0.000 0.942 486 K CB -0.110 32.358 32.500 -0.052 0.000 0.731 486 K HN 0.032 nan 8.250 nan 0.000 0.439 487 D N 0.516 120.851 120.400 -0.109 0.000 2.397 487 D HA -0.119 4.521 4.640 0.000 0.000 0.219 487 D C 1.326 177.523 176.300 -0.172 0.000 0.975 487 D CA 1.268 55.197 54.000 -0.119 0.000 0.940 487 D CB 0.059 40.795 40.800 -0.107 0.000 0.884 487 D HN 0.329 nan 8.370 nan 0.000 0.505 488 S N -2.441 113.102 115.700 -0.262 0.000 2.539 488 S HA 0.333 4.803 4.470 0.000 0.000 0.221 488 S C 1.725 176.196 174.600 -0.215 0.000 0.987 488 S CA 0.243 58.197 58.200 -0.409 0.000 0.929 488 S CB 0.693 63.247 63.200 -1.077 0.000 0.832 488 S HN 0.229 nan 8.310 nan 0.000 0.492 489 G N 1.612 110.333 108.800 -0.131 0.000 2.153 489 G HA2 -0.268 3.692 3.960 0.000 0.000 0.252 489 G HA3 -0.268 3.692 3.960 0.000 0.000 0.252 489 G C 0.563 175.444 174.900 -0.031 0.000 0.994 489 G CA 0.616 45.679 45.100 -0.062 0.000 0.698 489 G HN 0.507 nan 8.290 nan 0.000 0.521 490 L N -0.813 120.402 121.223 -0.014 0.000 2.027 490 L HA -0.002 4.338 4.340 0.000 0.000 0.206 490 L C 2.932 179.927 176.870 0.209 0.000 1.074 490 L CA 1.923 56.833 54.840 0.118 0.000 0.745 490 L CB -0.434 41.740 42.059 0.192 0.000 0.898 490 L HN 0.399 nan 8.230 nan 0.000 0.433 491 R N -0.324 120.255 120.500 0.133 0.000 2.094 491 R HA -0.214 4.126 4.340 0.000 0.000 0.239 491 R C 2.310 178.673 176.300 0.104 0.000 1.137 491 R CA 2.369 58.547 56.100 0.130 0.000 0.943 491 R CB -0.476 29.855 30.300 0.051 0.000 0.850 491 R HN 0.193 nan 8.270 nan 0.000 0.433 492 T N 0.949 115.525 114.554 0.037 0.000 2.635 492 T HA -0.255 4.095 4.350 0.000 0.000 0.267 492 T C 1.691 176.374 174.700 -0.028 0.000 1.040 492 T CA 1.949 64.051 62.100 0.003 0.000 1.156 492 T CB -0.242 68.616 68.868 -0.017 0.000 0.863 492 T HN 0.391 nan 8.240 nan 0.000 0.430 493 M N -0.472 119.078 119.600 -0.084 0.000 2.260 493 M HA -0.168 4.313 4.480 0.000 0.000 0.261 493 M C 1.391 177.479 176.300 -0.354 0.000 1.066 493 M CA 1.795 56.952 55.300 -0.239 0.000 1.082 493 M CB -0.180 32.206 32.600 -0.356 0.000 1.388 493 M HN 0.403 nan 8.290 nan 0.000 0.419 494 Y N -0.162 120.138 120.300 0.000 0.000 2.510 494 Y HA 0.085 4.636 4.550 0.000 0.000 0.273 494 Y C 1.832 177.732 175.900 0.000 0.000 1.119 494 Y CA 0.509 58.610 58.100 0.001 0.000 1.286 494 Y CB 0.157 38.617 38.460 0.001 0.000 1.061 494 Y HN 0.315 nan 8.280 nan 0.000 0.542 495 E N -0.057 120.206 120.200 0.105 0.000 2.482 495 E HA -0.132 4.218 4.350 0.000 0.000 0.196 495 E C 0.559 177.180 176.600 0.034 0.000 1.047 495 E CA 0.466 56.906 56.400 0.066 0.000 0.869 495 E CB 0.034 29.760 29.700 0.043 0.000 0.836 495 E HN 0.290 nan 8.360 nan 0.000 0.520 496 Q N 1.018 120.825 119.800 0.011 0.000 2.404 496 Q HA 0.204 4.544 4.340 0.000 0.000 0.368 496 Q C -1.142 174.851 176.000 -0.011 0.000 0.939 496 Q CA 0.086 55.884 55.803 -0.008 0.000 1.099 496 Q CB 0.643 29.362 28.738 -0.032 0.000 1.284 496 Q HN 0.057 nan 8.270 nan 0.000 0.421 497 E N 0.718 120.931 120.200 0.022 0.000 2.246 497 E HA 0.263 4.613 4.350 0.000 0.000 0.266 497 E C -0.447 176.176 176.600 0.037 0.000 0.880 497 E CA -0.460 55.958 56.400 0.030 0.000 0.762 497 E CB 0.903 30.649 29.700 0.077 0.000 1.180 497 E HN 0.112 nan 8.360 nan 0.000 0.416 498 K N 0.661 121.075 120.400 0.024 0.000 2.670 498 K HA -0.296 4.024 4.320 0.000 0.000 0.145 498 K C 0.734 177.347 176.600 0.022 0.000 1.352 498 K CA 1.370 57.669 56.287 0.021 0.000 0.854 498 K CB -0.556 31.959 32.500 0.024 0.000 0.547 498 K HN 0.770 nan 8.250 nan 0.000 1.032 499 G N -0.522 108.289 108.800 0.018 0.000 2.548 499 G HA2 0.056 4.016 3.960 0.000 0.000 0.221 499 G HA3 0.056 4.016 3.960 0.000 0.000 0.221 499 G C 1.562 176.473 174.900 0.018 0.000 1.796 499 G CA 1.093 46.203 45.100 0.016 0.000 0.889 499 G HN 0.735 nan 8.290 nan 0.000 0.599 500 E N 0.998 121.207 120.200 0.015 0.000 2.118 500 E HA -0.102 4.248 4.350 0.000 0.000 0.195 500 E C 2.241 178.852 176.600 0.018 0.000 0.992 500 E CA 1.726 58.134 56.400 0.014 0.000 0.804 500 E CB -0.495 29.211 29.700 0.010 0.000 0.741 500 E HN 0.260 nan 8.360 nan 0.000 0.458 501 K N -0.297 120.116 120.400 0.022 0.000 1.981 501 K HA -0.072 4.248 4.320 0.000 0.000 0.227 501 K C 2.489 179.114 176.600 0.041 0.000 1.030 501 K CA 1.240 57.546 56.287 0.030 0.000 1.042 501 K CB -1.360 31.162 32.500 0.037 0.000 0.749 501 K HN 0.406 nan 8.250 nan 0.000 0.445 502 G N 0.996 109.835 108.800 0.065 0.000 2.606 502 G HA2 -0.400 3.560 3.960 0.000 0.000 0.223 502 G HA3 -0.400 3.560 3.960 0.000 0.000 0.223 502 G C 1.866 176.803 174.900 0.063 0.000 1.106 502 G CA 2.625 47.782 45.100 0.096 0.000 0.745 502 G HN 0.590 nan 8.290 nan 0.000 0.597 503 Q N -0.605 119.220 119.800 0.042 0.000 2.173 503 Q HA -0.192 4.148 4.340 0.000 0.000 0.208 503 Q C 2.576 178.589 176.000 0.022 0.000 0.989 503 Q CA 2.543 58.365 55.803 0.031 0.000 0.872 503 Q CB -1.315 27.436 28.738 0.023 0.000 0.909 503 Q HN 0.543 nan 8.270 nan 0.000 0.420 504 T N -0.045 114.518 114.554 0.014 0.000 2.852 504 T HA -0.036 4.314 4.350 0.000 0.000 0.256 504 T C 2.007 176.692 174.700 -0.026 0.000 1.038 504 T CA 0.494 62.596 62.100 0.002 0.000 1.141 504 T CB -0.094 68.774 68.868 -0.000 0.000 0.869 504 T HN 0.495 nan 8.240 nan 0.000 0.439 505 R N 1.168 121.639 120.500 -0.048 0.000 2.159 505 R HA -0.123 4.217 4.340 0.000 0.000 0.249 505 R C 2.322 178.513 176.300 -0.180 0.000 1.136 505 R CA 1.500 57.504 56.100 -0.161 0.000 0.951 505 R CB -1.287 28.936 30.300 -0.129 0.000 0.876 505 R HN 0.444 nan 8.270 nan 0.000 0.440 506 I N 0.769 121.301 120.570 -0.064 0.000 2.142 506 I HA -0.268 3.902 4.170 0.000 0.000 0.240 506 I C 2.338 178.447 176.117 -0.012 0.000 1.078 506 I CA 1.421 62.705 61.300 -0.026 0.000 1.343 506 I CB -0.393 37.626 38.000 0.032 0.000 1.046 506 I HN 0.282 nan 8.210 nan 0.000 0.405 507 E N 0.834 121.039 120.200 0.008 0.000 2.070 507 E HA -0.248 4.102 4.350 0.000 0.000 0.197 507 E C 1.914 178.557 176.600 0.071 0.000 1.004 507 E CA 1.422 57.845 56.400 0.039 0.000 0.805 507 E CB -0.224 29.500 29.700 0.041 0.000 0.744 507 E HN 0.487 nan 8.360 nan 0.000 0.451 508 N N 0.747 119.473 118.700 0.043 0.000 2.149 508 N HA -0.155 4.585 4.740 0.000 0.000 0.188 508 N C 1.987 177.553 175.510 0.093 0.000 1.019 508 N CA 0.834 53.935 53.050 0.085 0.000 0.857 508 N CB -0.242 38.167 38.487 -0.130 0.000 0.997 508 N HN 0.178 nan 8.380 nan 0.000 0.426 509 L N 1.713 122.926 121.223 -0.017 0.000 1.994 509 L HA -0.182 4.159 4.340 0.000 0.000 0.208 509 L C 2.435 179.354 176.870 0.082 0.000 1.071 509 L CA 1.329 56.165 54.840 -0.005 0.000 0.745 509 L CB -0.448 41.569 42.059 -0.070 0.000 0.892 509 L HN 0.304 nan 8.230 nan 0.000 0.431 510 E N -0.251 119.992 120.200 0.073 0.000 2.204 510 E HA -0.300 4.050 4.350 0.000 0.000 0.195 510 E C 1.825 178.497 176.600 0.120 0.000 0.990 510 E CA 1.214 57.661 56.400 0.080 0.000 0.821 510 E CB -0.380 29.355 29.700 0.058 0.000 0.750 510 E HN 0.564 nan 8.360 nan 0.000 0.477 511 E N 0.788 121.094 120.200 0.178 0.000 2.204 511 E HA -0.159 4.191 4.350 0.000 0.000 0.194 511 E C 2.029 178.781 176.600 0.253 0.000 0.989 511 E CA 0.325 56.839 56.400 0.190 0.000 0.824 511 E CB 0.043 29.885 29.700 0.236 0.000 0.756 511 E HN 0.200 nan 8.360 nan 0.000 0.477 512 L N 0.494 121.946 121.223 0.383 0.000 2.131 512 L HA -0.143 4.197 4.340 0.000 0.000 0.210 512 L C 2.020 179.010 176.870 0.200 0.000 1.092 512 L CA 1.320 56.402 54.840 0.403 0.000 0.759 512 L CB -0.474 41.770 42.059 0.309 0.000 0.903 512 L HN 0.005 nan 8.230 nan 0.000 0.435 513 V N -1.027 118.964 119.914 0.128 0.000 2.255 513 V HA -0.237 3.883 4.120 0.000 0.000 0.243 513 V C 2.427 178.574 176.094 0.088 0.000 1.038 513 V CA 1.957 64.305 62.300 0.079 0.000 1.008 513 V CB -1.017 30.849 31.823 0.070 0.000 0.645 513 V HN 0.471 nan 8.190 nan 0.000 0.449 514 T N 0.872 115.476 114.554 0.084 0.000 2.565 514 T HA -0.333 4.017 4.350 0.000 0.000 0.265 514 T C 2.066 176.802 174.700 0.059 0.000 1.082 514 T CA 2.325 64.457 62.100 0.054 0.000 1.173 514 T CB -0.741 68.150 68.868 0.039 0.000 0.864 514 T HN 0.586 nan 8.240 nan 0.000 0.425 515 A N 1.758 124.631 122.820 0.088 0.000 1.881 515 A HA -0.276 4.044 4.320 0.000 0.000 0.219 515 A C 2.622 180.319 177.584 0.189 0.000 1.215 515 A CA 3.445 55.572 52.037 0.151 0.000 0.648 515 A CB -1.717 17.425 19.000 0.236 0.000 0.832 515 A HN 0.724 nan 8.150 nan 0.000 0.455 516 T N -2.254 112.356 114.554 0.094 0.000 2.803 516 T HA -0.200 4.150 4.350 0.000 0.000 0.269 516 T C 1.796 176.508 174.700 0.019 0.000 1.052 516 T CA 1.521 63.562 62.100 -0.097 0.000 1.136 516 T CB -0.343 68.342 68.868 -0.306 0.000 0.864 516 T HN 0.530 nan 8.240 nan 0.000 0.467 517 R N 1.018 121.528 120.500 0.017 0.000 2.323 517 R HA 0.102 4.442 4.340 0.000 0.000 0.198 517 R C 1.466 177.719 176.300 -0.077 0.000 0.988 517 R CA 0.557 56.583 56.100 -0.124 0.000 1.041 517 R CB 0.058 30.196 30.300 -0.269 0.000 0.926 517 R HN 0.557 nan 8.270 nan 0.000 0.476 518 Q N -0.611 119.206 119.800 0.028 0.000 2.118 518 Q HA 0.084 4.424 4.340 0.000 0.000 0.219 518 Q C -0.881 175.170 176.000 0.085 0.000 0.794 518 Q CA -0.441 55.379 55.803 0.028 0.000 1.035 518 Q CB 0.678 29.426 28.738 0.018 0.000 1.177 518 Q HN 0.091 nan 8.270 nan 0.000 0.478 519 F N 1.692 121.646 119.950 0.007 0.000 2.443 519 F HA 0.363 4.890 4.527 0.000 0.000 0.353 519 F C -0.118 175.672 175.800 -0.015 0.000 1.101 519 F CA -0.001 58.012 58.000 0.022 0.000 1.226 519 F CB 1.179 40.276 39.000 0.162 0.000 1.140 519 F HN -0.222 nan 8.300 nan 0.000 0.557 520 S N 4.704 119.898 115.700 -0.843 0.000 2.548 520 S HA 0.908 5.378 4.470 0.000 0.000 0.286 520 S C -1.007 173.113 174.600 -0.800 0.000 1.098 520 S CA 0.408 58.221 58.200 -0.645 0.000 0.930 520 S CB 0.581 63.594 63.200 -0.313 0.000 1.070 520 S HN 1.332 nan 8.310 nan 0.000 0.480 526 E N -1.316 118.894 120.200 0.017 0.000 2.194 526 E HA 0.626 4.976 4.350 0.000 0.000 0.284 526 E C 0.392 176.998 176.600 0.010 0.000 1.035 526 E CA 0.453 56.860 56.400 0.012 0.000 0.836 526 E CB 0.690 30.398 29.700 0.013 0.000 1.070 526 E HN 1.654 nan 8.360 nan 0.000 0.401 527 D N 1.842 122.239 120.400 -0.005 0.000 2.672 527 D HA 0.436 5.077 4.640 0.000 0.000 0.321 527 D C 0.085 176.351 176.300 -0.058 0.000 1.496 527 D CA 0.173 54.159 54.000 -0.024 0.000 0.901 527 D CB -0.525 40.262 40.800 -0.021 0.000 1.441 527 D HN 0.433 nan 8.370 nan 0.000 0.423 528 L N 0.224 121.424 121.223 -0.039 0.000 2.700 528 L HA 0.446 4.787 4.340 0.000 0.000 0.255 528 L C -0.658 176.209 176.870 -0.005 0.000 0.933 528 L CA -0.791 54.020 54.840 -0.049 0.000 0.920 528 L CB 2.253 44.279 42.059 -0.056 0.000 1.472 528 L HN 0.157 nan 8.230 nan 0.000 0.426 529 M N 3.675 123.269 119.600 -0.011 0.000 2.243 529 M HA 0.142 4.622 4.480 0.000 0.000 0.341 529 M C -1.184 175.152 176.300 0.060 0.000 1.130 529 M CA -1.274 54.035 55.300 0.015 0.000 1.162 529 M CB 0.762 33.359 32.600 -0.005 0.000 1.497 529 M HN 0.339 nan 8.290 nan 0.000 0.456 530 P HA -0.198 nan 4.420 nan 0.000 0.223 530 P C 1.017 178.407 177.300 0.149 0.000 1.140 530 P CA 1.325 64.530 63.100 0.174 0.000 0.783 530 P CB 0.084 31.865 31.700 0.135 0.000 0.759 531 L N -0.253 121.008 121.223 0.062 0.000 2.194 531 L HA 0.035 4.375 4.340 0.000 0.000 0.197 531 L C 2.533 179.431 176.870 0.046 0.000 1.106 531 L CA 1.401 56.256 54.840 0.025 0.000 0.785 531 L CB -1.161 40.889 42.059 -0.015 0.000 0.960 531 L HN -0.307 nan 8.230 nan 0.000 0.465 532 Q N 0.480 120.286 119.800 0.010 0.000 2.268 532 Q HA -0.221 4.119 4.340 0.000 0.000 0.210 532 Q C 2.077 178.089 176.000 0.020 0.000 0.988 532 Q CA 2.042 57.831 55.803 -0.022 0.000 0.883 532 Q CB -0.656 28.038 28.738 -0.073 0.000 0.911 532 Q HN 0.706 nan 8.270 nan 0.000 0.430 533 A N -0.342 122.534 122.820 0.094 0.000 1.854 533 A HA -0.132 4.188 4.320 0.000 0.000 0.214 533 A C 1.865 179.533 177.584 0.140 0.000 1.192 533 A CA 1.026 53.184 52.037 0.201 0.000 0.611 533 A CB -0.798 18.421 19.000 0.366 0.000 0.832 533 A HN 0.415 nan 8.150 nan 0.000 0.442 534 F N 0.911 120.701 119.950 -0.267 0.000 2.046 534 F HA -0.164 4.363 4.527 0.000 0.000 0.297 534 F C 1.972 177.622 175.800 -0.250 0.000 1.123 534 F CA 1.821 59.429 58.000 -0.654 0.000 1.199 534 F CB -0.337 38.233 39.000 -0.716 0.000 0.972 534 F HN 0.119 nan 8.300 nan 0.000 0.474 535 L N -0.885 120.323 121.223 -0.025 0.000 2.263 535 L HA -0.269 4.071 4.340 0.000 0.000 0.216 535 L C 2.419 179.207 176.870 -0.136 0.000 1.111 535 L CA 1.341 56.124 54.840 -0.095 0.000 0.773 535 L CB -0.883 41.154 42.059 -0.038 0.000 0.906 535 L HN 0.187 nan 8.230 nan 0.000 0.439 536 S N -1.988 113.665 115.700 -0.078 0.000 2.421 536 S HA -0.115 4.355 4.470 0.000 0.000 0.224 536 S C 1.931 176.509 174.600 -0.037 0.000 1.035 536 S CA 0.126 58.293 58.200 -0.055 0.000 0.953 536 S CB -0.177 63.067 63.200 0.074 0.000 0.810 536 S HN 0.513 nan 8.310 nan 0.000 0.497 537 H N 1.168 120.167 119.070 -0.117 0.000 2.489 537 H HA 0.041 4.597 4.556 0.000 0.000 0.293 537 H C 1.913 177.198 175.328 -0.072 0.000 1.066 537 H CA 1.327 57.338 56.048 -0.062 0.000 1.305 537 H CB -0.056 29.694 29.762 -0.019 0.000 1.386 537 H HN 0.407 nan 8.280 nan 0.000 0.551 538 A N 0.765 123.429 122.820 -0.260 0.000 1.898 538 A HA 0.097 4.417 4.320 0.000 0.000 0.214 538 A C 2.652 180.251 177.584 0.025 0.000 1.183 538 A CA 1.154 53.063 52.037 -0.213 0.000 0.622 538 A CB -0.757 17.804 19.000 -0.731 0.000 0.824 538 A HN 0.514 nan 8.150 nan 0.000 0.444 539 A N -0.301 122.488 122.820 -0.052 0.000 1.872 539 A HA 0.133 4.453 4.320 0.000 0.000 0.214 539 A C 1.829 179.517 177.584 0.174 0.000 1.187 539 A CA 1.092 53.150 52.037 0.035 0.000 0.614 539 A CB -0.527 18.437 19.000 -0.060 0.000 0.826 539 A HN 0.410 nan 8.150 nan 0.000 0.442 540 L N 0.146 121.403 121.223 0.057 0.000 2.675 540 L HA 0.077 4.417 4.340 0.000 0.000 0.239 540 L C -0.112 176.698 176.870 -0.101 0.000 1.151 540 L CA 0.379 55.221 54.840 0.002 0.000 0.905 540 L CB -0.564 41.466 42.059 -0.048 0.000 1.057 540 L HN 0.673 nan 8.230 nan 0.000 0.435 541 E N -2.726 117.417 120.200 -0.095 0.000 3.538 541 E HA 0.299 4.649 4.350 0.000 0.000 0.363 541 E C -0.653 175.843 176.600 -0.174 0.000 1.052 541 E CA 0.038 56.343 56.400 -0.158 0.000 0.848 541 E CB 0.321 29.892 29.700 -0.215 0.000 1.255 541 E HN -0.099 nan 8.360 nan 0.000 0.483 542 A N 3.365 126.106 122.820 -0.131 0.000 2.051 542 A HA 0.742 5.063 4.320 0.000 0.000 0.218 542 A C 1.294 178.706 177.584 -0.287 0.000 1.575 542 A CA 0.811 52.744 52.037 -0.173 0.000 0.700 542 A CB -0.912 18.108 19.000 0.033 0.000 1.245 542 A HN 1.714 nan 8.150 nan 0.000 0.536 543 G N -1.472 107.248 108.800 -0.134 0.000 3.490 543 G HA2 0.489 4.449 3.960 0.000 0.000 0.646 543 G HA3 0.489 4.449 3.960 0.000 0.000 0.646 543 G C 0.027 174.861 174.900 -0.110 0.000 1.058 543 G CA 0.949 45.982 45.100 -0.111 0.000 1.199 543 G HN 2.536 nan 8.290 nan 0.000 0.569 544 E N -0.683 119.485 120.200 -0.052 0.000 5.920 544 E HA 0.564 4.914 4.350 0.000 0.000 0.547 544 E C 0.900 177.505 176.600 0.009 0.000 1.264 544 E CA 0.975 57.355 56.400 -0.032 0.000 2.989 544 E CB -0.859 28.821 29.700 -0.034 0.000 0.795 544 E HN 2.663 nan 8.360 nan 0.000 0.269 545 G N -1.226 107.567 108.800 -0.012 0.000 4.406 545 G HA2 0.691 4.652 3.960 0.000 0.000 0.212 545 G HA3 0.691 4.652 3.960 0.000 0.000 0.212 545 G C 0.656 175.532 174.900 -0.040 0.000 0.941 545 G CA 2.221 47.310 45.100 -0.018 0.000 0.821 545 G HN 2.339 nan 8.290 nan 0.000 0.429 546 Q N -1.171 118.608 119.800 -0.035 0.000 2.199 546 Q HA 0.383 4.723 4.340 0.000 0.000 0.282 546 Q C 0.454 176.404 176.000 -0.084 0.000 1.163 546 Q CA 1.001 56.777 55.803 -0.044 0.000 0.581 546 Q CB -2.471 26.243 28.738 -0.040 0.000 0.911 546 Q HN 2.359 nan 8.270 nan 0.000 0.335 547 A N 0.901 123.674 122.820 -0.078 0.000 2.899 547 A HA 0.490 4.811 4.320 0.000 0.000 0.290 547 A C 0.855 178.383 177.584 -0.092 0.000 1.768 547 A CA 1.270 53.251 52.037 -0.094 0.000 1.304 547 A CB -1.679 17.300 19.000 -0.036 0.000 0.990 547 A HN 2.389 nan 8.150 nan 0.000 0.596 548 D N 2.642 122.954 120.400 -0.146 0.000 2.923 548 D HA 0.295 4.935 4.640 0.000 0.000 0.220 548 D C 0.900 177.139 176.300 -0.101 0.000 1.099 548 D CA 0.699 54.614 54.000 -0.141 0.000 0.807 548 D CB -0.485 40.191 40.800 -0.207 0.000 1.155 548 D HN 1.334 nan 8.370 nan 0.000 0.524 549 T N 0.510 115.042 114.554 -0.036 0.000 2.709 549 T HA -0.180 4.170 4.350 0.000 0.000 0.269 549 T C 1.172 175.907 174.700 0.057 0.000 1.008 549 T CA -0.128 61.994 62.100 0.037 0.000 1.194 549 T CB 0.118 69.004 68.868 0.031 0.000 0.986 549 T HN 0.697 nan 8.240 nan 0.000 0.508 550 W N 3.510 124.804 121.300 -0.009 0.000 2.252 550 W HA -0.260 4.400 4.660 0.000 0.000 0.289 550 W C 1.367 177.891 176.519 0.009 0.000 1.218 550 W CA 1.787 59.134 57.345 0.003 0.000 1.211 550 W CB -0.290 29.176 29.460 0.010 0.000 1.131 550 W HN 0.938 nan 8.180 nan 0.000 0.554 551 Q N 2.389 122.278 119.800 0.148 0.000 3.892 551 Q HA -0.239 4.101 4.340 0.000 0.000 0.387 551 Q C -0.247 175.781 176.000 0.046 0.000 1.062 551 Q CA 0.678 56.539 55.803 0.096 0.000 1.333 551 Q CB -0.479 28.278 28.738 0.033 0.000 0.993 551 Q HN 0.057 nan 8.270 nan 0.000 0.454 552 D N 2.668 123.154 120.400 0.144 0.000 3.046 552 D HA 0.090 4.730 4.640 0.000 0.000 0.213 552 D C -1.028 175.285 176.300 0.021 0.000 1.074 552 D CA 1.566 55.634 54.000 0.113 0.000 0.785 552 D CB 0.228 41.139 40.800 0.185 0.000 1.160 552 D HN 0.685 nan 8.370 nan 0.000 0.524 553 A N 2.662 125.461 122.820 -0.034 0.000 2.605 553 A HA 0.516 4.837 4.320 0.000 0.000 0.294 553 A C -0.452 177.118 177.584 -0.024 0.000 1.062 553 A CA -0.752 51.267 52.037 -0.030 0.000 0.682 553 A CB 0.740 19.694 19.000 -0.077 0.000 1.278 553 A HN 0.364 nan 8.150 nan 0.000 0.410 554 V N 0.186 120.103 119.914 0.006 0.000 3.549 554 V HA 0.120 4.240 4.120 0.000 0.000 0.300 554 V C 0.422 176.513 176.094 -0.005 0.000 1.154 554 V CA 0.639 62.922 62.300 -0.028 0.000 1.268 554 V CB 0.370 32.168 31.823 -0.041 0.000 1.054 554 V HN 0.876 nan 8.190 nan 0.000 0.501 555 Q N 1.130 120.877 119.800 -0.088 0.000 2.490 555 Q HA 0.560 4.900 4.340 0.000 0.000 0.255 555 Q C -1.481 174.408 176.000 -0.185 0.000 0.997 555 Q CA -0.174 55.593 55.803 -0.061 0.000 0.709 555 Q CB 1.220 29.867 28.738 -0.153 0.000 1.255 555 Q HN 0.553 nan 8.270 nan 0.000 0.486 556 L N 3.363 124.567 121.223 -0.032 0.000 2.343 556 L HA 0.785 5.125 4.340 0.000 0.000 0.275 556 L C -0.059 176.722 176.870 -0.147 0.000 1.056 556 L CA -0.189 54.575 54.840 -0.128 0.000 0.804 556 L CB 1.115 43.204 42.059 0.051 0.000 1.203 556 L HN 0.727 nan 8.230 nan 0.000 0.440 557 M N -0.427 118.843 119.600 -0.552 0.000 2.860 557 M HA 0.342 4.822 4.480 0.000 0.000 0.270 557 M C -0.483 175.345 176.300 -0.786 0.000 0.988 557 M CA -0.773 54.263 55.300 -0.442 0.000 0.807 557 M CB 1.337 33.737 32.600 -0.333 0.000 1.708 557 M HN 0.531 nan 8.290 nan 0.000 0.558 558 T N -0.139 114.268 114.554 -0.246 0.000 2.667 558 T HA 0.367 4.717 4.350 0.000 0.000 0.305 558 T C 1.087 175.700 174.700 -0.145 0.000 1.022 558 T CA -0.404 61.650 62.100 -0.077 0.000 0.995 558 T CB 0.466 69.444 68.868 0.182 0.000 1.026 558 T HN 0.703 nan 8.240 nan 0.000 0.527 559 L N -0.365 120.810 121.223 -0.080 0.000 2.068 559 L HA 0.033 4.373 4.340 0.000 0.000 0.204 559 L C 2.888 179.700 176.870 -0.097 0.000 1.076 559 L CA 1.284 56.051 54.840 -0.122 0.000 0.753 559 L CB -1.103 40.854 42.059 -0.170 0.000 0.910 559 L HN 0.745 nan 8.230 nan 0.000 0.439 560 H N 0.537 119.563 119.070 -0.075 0.000 2.390 560 H HA -0.147 4.409 4.556 0.000 0.000 0.298 560 H C 2.249 177.581 175.328 0.008 0.000 1.106 560 H CA 1.759 57.769 56.048 -0.064 0.000 1.297 560 H CB -0.106 29.669 29.762 0.022 0.000 1.375 560 H HN 0.363 nan 8.280 nan 0.000 0.509 561 S N -0.963 114.821 115.700 0.139 0.000 2.743 561 S HA 0.405 4.875 4.470 0.000 0.000 0.230 561 S C 1.462 176.057 174.600 -0.008 0.000 0.950 561 S CA 0.131 58.392 58.200 0.101 0.000 0.976 561 S CB 0.388 63.656 63.200 0.112 0.000 0.779 561 S HN 0.444 nan 8.310 nan 0.000 0.487 562 A N 0.831 123.633 122.820 -0.031 0.000 2.456 562 A HA 0.393 4.714 4.320 0.000 0.000 0.237 562 A C 0.668 178.242 177.584 -0.016 0.000 1.217 562 A CA -0.433 51.581 52.037 -0.039 0.000 0.962 562 A CB 0.011 18.967 19.000 -0.073 0.000 1.079 562 A HN 0.454 nan 8.150 nan 0.000 0.536 563 K N 0.644 121.026 120.400 -0.031 0.000 2.419 563 K HA 0.334 4.655 4.320 0.000 0.000 0.282 563 K C 1.043 177.632 176.600 -0.018 0.000 1.056 563 K CA 1.114 57.375 56.287 -0.044 0.000 1.035 563 K CB -0.249 32.217 32.500 -0.055 0.000 0.921 563 K HN 0.764 nan 8.250 nan 0.000 0.472 564 G N 3.275 112.051 108.800 -0.039 0.000 2.201 564 G HA2 -0.183 3.777 3.960 0.000 0.000 0.212 564 G HA3 -0.183 3.777 3.960 0.000 0.000 0.212 564 G C -0.110 174.749 174.900 -0.068 0.000 0.994 564 G CA -0.196 44.880 45.100 -0.040 0.000 0.644 564 G HN 0.462 nan 8.290 nan 0.000 0.508 565 L N 0.519 121.700 121.223 -0.070 0.000 2.365 565 L HA 0.845 5.186 4.340 0.000 0.000 0.267 565 L C 0.354 177.080 176.870 -0.240 0.000 1.033 565 L CA -0.718 54.015 54.840 -0.179 0.000 0.802 565 L CB 1.545 43.566 42.059 -0.063 0.000 1.267 565 L HN 0.572 nan 8.230 nan 0.000 0.457 566 E N 0.301 120.120 120.200 -0.635 0.000 2.363 566 E HA 0.618 4.968 4.350 0.000 0.000 0.281 566 E C -1.958 174.162 176.600 -0.800 0.000 0.953 566 E CA -0.696 55.451 56.400 -0.421 0.000 0.778 566 E CB 1.853 31.417 29.700 -0.227 0.000 1.220 566 E HN 0.266 nan 8.360 nan 0.000 0.431 567 F N 1.013 120.945 119.950 -0.029 0.000 2.596 567 F HA 0.384 4.911 4.527 0.000 0.000 0.311 567 F C -2.110 173.673 175.800 -0.028 0.000 1.116 567 F CA -2.336 55.647 58.000 -0.028 0.000 0.957 567 F CB 1.820 40.782 39.000 -0.065 0.000 1.250 567 F HN 0.288 nan 8.300 nan 0.000 0.444 568 P HA -0.222 nan 4.420 nan 0.000 0.214 568 P C -0.058 177.267 177.300 0.041 0.000 1.172 568 P CA 1.635 64.834 63.100 0.164 0.000 0.925 568 P CB 0.206 32.099 31.700 0.321 0.000 0.793 569 Q N -0.655 119.018 119.800 -0.212 0.000 2.256 569 Q HA 0.501 4.841 4.340 0.000 0.000 0.257 569 Q C -1.236 174.745 176.000 -0.031 0.000 0.936 569 Q CA -0.826 54.831 55.803 -0.243 0.000 0.903 569 Q CB 1.279 29.641 28.738 -0.626 0.000 1.263 569 Q HN -0.028 nan 8.270 nan 0.000 0.440 570 V N 1.908 121.815 119.914 -0.011 0.000 3.012 570 V HA 0.784 4.904 4.120 0.000 0.000 0.307 570 V C -1.731 174.431 176.094 0.113 0.000 1.166 570 V CA -0.671 61.691 62.300 0.102 0.000 0.974 570 V CB 1.660 33.506 31.823 0.038 0.000 1.040 570 V HN 0.767 nan 8.190 nan 0.000 0.428 571 F N 3.214 123.078 119.950 -0.144 0.000 2.620 571 F HA 0.847 5.374 4.527 0.000 0.000 0.320 571 F C -0.722 175.045 175.800 -0.054 0.000 1.069 571 F CA -1.142 56.817 58.000 -0.068 0.000 0.953 571 F CB 2.450 41.413 39.000 -0.063 0.000 1.322 571 F HN 0.378 nan 8.300 nan 0.000 0.479 572 I N 1.929 122.631 120.570 0.219 0.000 2.497 572 I HA 0.325 4.495 4.170 0.000 0.000 0.284 572 I C -0.718 175.534 176.117 0.225 0.000 1.060 572 I CA -0.309 61.096 61.300 0.175 0.000 1.071 572 I CB 1.665 39.774 38.000 0.183 0.000 1.216 572 I HN 0.183 nan 8.210 nan 0.000 0.442 573 V N 4.975 125.011 119.914 0.204 0.000 2.743 573 V HA 0.687 4.807 4.120 0.000 0.000 0.301 573 V C 1.019 177.253 176.094 0.233 0.000 1.057 573 V CA 0.111 62.542 62.300 0.220 0.000 1.006 573 V CB 1.398 33.333 31.823 0.185 0.000 1.024 573 V HN 0.996 nan 8.190 nan 0.000 0.473 574 G N 4.287 113.229 108.800 0.237 0.000 2.248 574 G HA2 -0.185 3.775 3.960 0.000 0.000 0.263 574 G HA3 -0.185 3.775 3.960 0.000 0.000 0.263 574 G C 0.010 175.082 174.900 0.286 0.000 1.082 574 G CA -0.336 44.902 45.100 0.229 0.000 0.863 574 G HN 0.401 nan 8.290 nan 0.000 0.495 575 M N 1.633 121.436 119.600 0.340 0.000 3.237 575 M HA 0.286 4.767 4.480 0.000 0.000 0.266 575 M C 0.675 177.070 176.300 0.158 0.000 1.456 575 M CA 0.247 55.734 55.300 0.312 0.000 1.593 575 M CB -1.124 31.683 32.600 0.345 0.000 1.129 575 M HN 0.700 nan 8.290 nan 0.000 0.547 576 E N -0.275 119.986 120.200 0.101 0.000 2.392 576 E HA 0.419 4.770 4.350 0.000 0.000 0.279 576 E C -1.212 175.348 176.600 -0.067 0.000 0.964 576 E CA -0.940 55.429 56.400 -0.052 0.000 0.777 576 E CB 1.323 31.025 29.700 0.003 0.000 1.249 576 E HN 0.047 nan 8.360 nan 0.000 0.449 577 E N 0.233 120.365 120.200 -0.114 0.000 2.493 577 E HA 0.312 4.662 4.350 0.000 0.000 0.255 577 E C 0.489 176.949 176.600 -0.233 0.000 0.999 577 E CA 2.183 58.508 56.400 -0.126 0.000 0.934 577 E CB 0.503 30.141 29.700 -0.104 0.000 0.940 577 E HN 0.809 nan 8.360 nan 0.000 0.473 578 G N 3.526 112.189 108.800 -0.227 0.000 3.532 578 G HA2 -0.233 3.728 3.960 0.000 0.000 0.196 578 G HA3 -0.233 3.728 3.960 0.000 0.000 0.196 578 G C 0.829 175.597 174.900 -0.220 0.000 2.074 578 G CA 0.279 45.154 45.100 -0.375 0.000 1.323 578 G HN 0.412 nan 8.290 nan 0.000 0.439 579 M N -0.086 119.403 119.600 -0.184 0.000 2.384 579 M HA 0.481 4.961 4.480 0.000 0.000 0.258 579 M C 0.991 177.368 176.300 0.127 0.000 1.130 579 M CA 0.921 56.193 55.300 -0.047 0.000 1.187 579 M CB -0.554 32.028 32.600 -0.031 0.000 1.307 579 M HN 0.226 nan 8.290 nan 0.000 0.468 580 F N 4.459 124.425 119.950 0.026 0.000 2.513 580 F HA 0.482 5.009 4.527 0.000 0.000 0.358 580 F C -2.424 173.510 175.800 0.223 0.000 1.118 580 F CA -2.580 55.524 58.000 0.174 0.000 1.037 580 F CB 1.994 41.098 39.000 0.174 0.000 1.276 580 F HN -0.061 nan 8.300 nan 0.000 0.446 581 P HA 0.044 nan 4.420 nan 0.000 0.274 581 P C -0.581 176.867 177.300 0.247 0.000 1.237 581 P CA -0.129 63.282 63.100 0.519 0.000 0.793 581 P CB 1.353 33.185 31.700 0.220 0.000 0.977 582 S N 0.697 116.521 115.700 0.206 0.000 2.576 582 S HA -0.013 4.458 4.470 0.000 0.000 0.272 582 S C 1.371 175.979 174.600 0.014 0.000 1.352 582 S CA -0.086 58.149 58.200 0.059 0.000 1.021 582 S CB 0.506 63.716 63.200 0.016 0.000 0.887 582 S HN 0.465 nan 8.310 nan 0.000 0.542 583 Q N 1.279 121.062 119.800 -0.029 0.000 1.990 583 Q HA 0.041 4.381 4.340 0.000 0.000 0.200 583 Q C 1.482 177.471 176.000 -0.019 0.000 0.980 583 Q CA 1.758 57.541 55.803 -0.033 0.000 0.832 583 Q CB -0.484 28.228 28.738 -0.043 0.000 0.897 583 Q HN 0.874 nan 8.270 nan 0.000 0.427 584 M N -0.151 119.432 119.600 -0.028 0.000 2.843 584 M HA 0.056 4.536 4.480 0.000 0.000 0.201 584 M C 0.705 176.991 176.300 -0.023 0.000 1.148 584 M CA 0.724 56.003 55.300 -0.034 0.000 1.054 584 M CB -0.010 32.554 32.600 -0.059 0.000 1.810 584 M HN 0.149 nan 8.290 nan 0.000 0.464 585 S N -1.258 114.444 115.700 0.003 0.000 2.391 585 S HA 0.196 4.667 4.470 0.000 0.000 0.275 585 S C 1.252 175.876 174.600 0.041 0.000 1.032 585 S CA 0.237 58.457 58.200 0.033 0.000 1.421 585 S CB -0.053 63.184 63.200 0.062 0.000 1.176 585 S HN 0.413 nan 8.310 nan 0.000 0.615 586 L N 1.082 122.319 121.223 0.022 0.000 2.418 586 L HA 0.397 4.737 4.340 0.000 0.000 0.218 586 L C 1.590 178.461 176.870 0.001 0.000 1.125 586 L CA 2.159 57.003 54.840 0.007 0.000 0.835 586 L CB -1.154 40.896 42.059 -0.015 0.000 0.953 586 L HN 0.728 nan 8.230 nan 0.000 0.454 587 D N -1.886 118.515 120.400 0.002 0.000 2.559 587 D HA 0.195 4.836 4.640 0.000 0.000 0.296 587 D C 1.141 177.442 176.300 0.003 0.000 1.118 587 D CA 0.783 54.783 54.000 0.000 0.000 0.967 587 D CB -0.027 40.770 40.800 -0.005 0.000 1.607 587 D HN 0.310 nan 8.370 nan 0.000 0.493 588 E N 0.002 120.200 120.200 -0.002 0.000 2.053 588 E HA 0.504 4.854 4.350 0.000 0.000 0.297 588 E C 1.123 177.725 176.600 0.004 0.000 1.173 588 E CA 0.361 56.756 56.400 -0.008 0.000 1.219 588 E CB -1.272 28.412 29.700 -0.027 0.000 1.103 588 E HN 0.817 nan 8.360 nan 0.000 0.476 589 G N -0.450 108.360 108.800 0.017 0.000 2.705 589 G HA2 0.160 4.120 3.960 0.000 0.000 0.193 589 G HA3 0.160 4.120 3.960 0.000 0.000 0.193 589 G C 1.540 176.469 174.900 0.049 0.000 1.015 589 G CA 0.687 45.809 45.100 0.037 0.000 0.743 589 G HN 1.984 nan 8.290 nan 0.000 0.476 590 G N -0.204 108.622 108.800 0.044 0.000 2.168 590 G HA2 -0.005 3.955 3.960 0.000 0.000 0.257 590 G HA3 -0.005 3.955 3.960 0.000 0.000 0.257 590 G C 0.811 175.749 174.900 0.064 0.000 0.997 590 G CA 1.762 46.890 45.100 0.046 0.000 0.708 590 G HN 2.116 nan 8.290 nan 0.000 0.520 591 R N -0.717 119.832 120.500 0.082 0.000 3.192 591 R HA 0.590 4.930 4.340 0.000 0.000 0.264 591 R C 1.812 178.186 176.300 0.123 0.000 1.464 591 R CA 0.555 56.721 56.100 0.109 0.000 1.309 591 R CB -0.439 29.944 30.300 0.137 0.000 1.283 591 R HN 0.660 nan 8.270 nan 0.000 0.584 592 L N 0.804 122.089 121.223 0.103 0.000 2.127 592 L HA -0.032 4.309 4.340 0.000 0.000 0.211 592 L C 2.202 179.166 176.870 0.157 0.000 1.089 592 L CA 1.906 56.818 54.840 0.120 0.000 0.757 592 L CB -0.209 41.892 42.059 0.071 0.000 0.899 592 L HN 0.453 nan 8.230 nan 0.000 0.434 593 E N -0.793 119.481 120.200 0.124 0.000 2.150 593 E HA -0.282 4.068 4.350 0.000 0.000 0.193 593 E C 1.897 178.580 176.600 0.138 0.000 0.985 593 E CA 1.141 57.613 56.400 0.120 0.000 0.814 593 E CB 0.023 29.771 29.700 0.080 0.000 0.752 593 E HN 0.639 nan 8.360 nan 0.000 0.466 594 E N 1.528 121.819 120.200 0.152 0.000 2.023 594 E HA -0.223 4.127 4.350 0.000 0.000 0.196 594 E C 1.887 178.600 176.600 0.188 0.000 1.003 594 E CA 1.378 57.876 56.400 0.164 0.000 0.809 594 E CB 0.077 29.902 29.700 0.208 0.000 0.755 594 E HN 0.048 nan 8.360 nan 0.000 0.449 595 E N 0.273 120.627 120.200 0.258 0.000 2.233 595 E HA -0.263 4.087 4.350 0.000 0.000 0.199 595 E C 2.100 178.849 176.600 0.249 0.000 1.004 595 E CA 1.138 57.763 56.400 0.376 0.000 0.819 595 E CB -0.289 29.723 29.700 0.520 0.000 0.738 595 E HN 0.326 nan 8.360 nan 0.000 0.478 596 R N 0.541 121.162 120.500 0.202 0.000 2.055 596 R HA 0.016 4.357 4.340 0.000 0.000 0.226 596 R C 2.406 178.695 176.300 -0.017 0.000 1.135 596 R CA 0.585 56.704 56.100 0.030 0.000 0.959 596 R CB 0.100 30.524 30.300 0.206 0.000 0.854 596 R HN 0.018 nan 8.270 nan 0.000 0.431 597 R N 0.575 121.114 120.500 0.065 0.000 2.117 597 R HA -0.197 4.143 4.340 0.000 0.000 0.243 597 R C 2.290 178.651 176.300 0.101 0.000 1.143 597 R CA 1.284 57.449 56.100 0.108 0.000 0.968 597 R CB -0.675 29.677 30.300 0.088 0.000 0.863 597 R HN 0.221 nan 8.270 nan 0.000 0.444 598 L N 0.940 122.185 121.223 0.037 0.000 1.976 598 L HA -0.109 4.231 4.340 0.000 0.000 0.209 598 L C 2.460 179.356 176.870 0.044 0.000 1.071 598 L CA 2.092 56.922 54.840 -0.017 0.000 0.746 598 L CB -0.825 41.235 42.059 0.002 0.000 0.890 598 L HN 0.155 nan 8.230 nan 0.000 0.432 599 A N -1.419 121.428 122.820 0.044 0.000 1.958 599 A HA -0.340 3.981 4.320 0.000 0.000 0.221 599 A C 2.312 179.860 177.584 -0.061 0.000 1.178 599 A CA 2.183 54.128 52.037 -0.154 0.000 0.642 599 A CB -1.323 17.134 19.000 -0.906 0.000 0.816 599 A HN 0.692 nan 8.150 nan 0.000 0.453 600 Y N 0.859 121.069 120.300 -0.150 0.000 2.181 600 Y HA -0.160 4.390 4.550 0.000 0.000 0.288 600 Y C 2.296 178.157 175.900 -0.067 0.000 1.146 600 Y CA 1.686 59.731 58.100 -0.092 0.000 1.164 600 Y CB -0.521 37.898 38.460 -0.069 0.000 0.982 600 Y HN 0.082 nan 8.280 nan 0.000 0.515 601 V N 0.065 119.876 119.914 -0.172 0.000 2.307 601 V HA -0.213 3.907 4.120 0.000 0.000 0.245 601 V C 2.714 178.701 176.094 -0.178 0.000 1.045 601 V CA 1.868 64.015 62.300 -0.256 0.000 1.024 601 V CB -1.726 29.986 31.823 -0.185 0.000 0.651 601 V HN 0.549 nan 8.190 nan 0.000 0.449 602 G N -0.664 108.079 108.800 -0.096 0.000 2.450 602 G HA2 -0.223 3.737 3.960 0.000 0.000 0.220 602 G HA3 -0.223 3.737 3.960 0.000 0.000 0.220 602 G C 1.713 176.586 174.900 -0.046 0.000 1.130 602 G CA 1.309 46.381 45.100 -0.047 0.000 0.760 602 G HN 0.385 nan 8.290 nan 0.000 0.557 603 V N 1.380 121.253 119.914 -0.069 0.000 2.500 603 V HA -0.039 4.081 4.120 0.000 0.000 0.243 603 V C 2.956 179.000 176.094 -0.082 0.000 1.039 603 V CA 2.307 64.576 62.300 -0.052 0.000 1.053 603 V CB -0.450 31.360 31.823 -0.021 0.000 0.695 603 V HN 0.544 nan 8.190 nan 0.000 0.463 604 T N -1.817 112.631 114.554 -0.177 0.000 3.320 604 T HA -0.058 4.292 4.350 0.000 0.000 0.262 604 T C 1.559 176.190 174.700 -0.116 0.000 1.187 604 T CA 0.476 62.459 62.100 -0.196 0.000 1.038 604 T CB -0.417 68.224 68.868 -0.378 0.000 0.939 604 T HN 0.350 nan 8.240 nan 0.000 0.550 605 R N 0.744 121.207 120.500 -0.062 0.000 2.195 605 R HA 0.467 4.807 4.340 0.000 0.000 0.197 605 R C 1.409 177.742 176.300 0.055 0.000 0.990 605 R CA 0.556 56.662 56.100 0.009 0.000 1.048 605 R CB -0.653 29.680 30.300 0.054 0.000 0.997 605 R HN 0.536 nan 8.270 nan 0.000 0.502 606 A N 0.928 123.767 122.820 0.031 0.000 2.425 606 A HA 0.241 4.561 4.320 0.000 0.000 0.242 606 A C 1.064 178.667 177.584 0.032 0.000 1.077 606 A CA 0.258 52.319 52.037 0.040 0.000 0.781 606 A CB 0.399 19.402 19.000 0.006 0.000 1.020 606 A HN 0.176 nan 8.150 nan 0.000 0.494 607 M N -0.655 118.976 119.600 0.051 0.000 2.777 607 M HA 0.057 4.537 4.480 0.000 0.000 0.244 607 M C 1.734 178.071 176.300 0.061 0.000 1.457 607 M CA 0.653 55.983 55.300 0.050 0.000 1.174 607 M CB 0.227 32.867 32.600 0.066 0.000 1.321 607 M HN 0.880 nan 8.290 nan 0.000 0.546 608 Q N -0.267 119.584 119.800 0.085 0.000 2.243 608 Q HA 0.244 4.584 4.340 0.000 0.000 0.167 608 Q C 0.290 176.332 176.000 0.070 0.000 0.619 608 Q CA -0.204 55.656 55.803 0.095 0.000 0.745 608 Q CB 0.382 29.218 28.738 0.164 0.000 1.071 608 Q HN -0.026 nan 8.270 nan 0.000 0.502 609 K N 0.626 121.075 120.400 0.083 0.000 2.098 609 K HA 0.456 4.776 4.320 0.000 0.000 0.244 609 K C -1.394 175.175 176.600 -0.052 0.000 1.014 609 K CA -0.409 55.892 56.287 0.024 0.000 0.917 609 K CB 0.827 33.356 32.500 0.049 0.000 1.072 609 K HN 0.130 nan 8.250 nan 0.000 0.477 610 L N 1.046 122.204 121.223 -0.108 0.000 2.588 610 L HA 0.445 4.785 4.340 0.000 0.000 0.263 610 L C -1.678 175.068 176.870 -0.207 0.000 0.935 610 L CA 0.063 54.808 54.840 -0.159 0.000 0.891 610 L CB 1.575 43.594 42.059 -0.067 0.000 1.318 610 L HN 0.691 nan 8.230 nan 0.000 0.409 611 T N 6.089 120.416 114.554 -0.377 0.000 2.807 611 T HA 0.735 5.085 4.350 0.000 0.000 0.279 611 T C -0.397 174.256 174.700 -0.078 0.000 0.993 611 T CA -0.397 61.538 62.100 -0.275 0.000 0.970 611 T CB 1.308 69.869 68.868 -0.512 0.000 0.950 611 T HN 0.508 nan 8.240 nan 0.000 0.441 612 L N 3.286 124.533 121.223 0.040 0.000 2.334 612 L HA 0.799 5.140 4.340 0.000 0.000 0.276 612 L C 0.638 177.597 176.870 0.148 0.000 1.014 612 L CA -0.869 54.040 54.840 0.116 0.000 0.815 612 L CB 1.976 44.102 42.059 0.112 0.000 1.268 612 L HN 0.798 nan 8.230 nan 0.000 0.428 613 T N -1.163 113.508 114.554 0.196 0.000 2.696 613 T HA 0.830 5.180 4.350 0.000 0.000 0.291 613 T C -1.227 173.599 174.700 0.209 0.000 1.095 613 T CA -0.699 61.471 62.100 0.117 0.000 1.026 613 T CB 2.252 71.239 68.868 0.198 0.000 1.390 613 T HN 0.686 nan 8.240 nan 0.000 0.513 614 Y N -2.294 118.094 120.300 0.148 0.000 2.755 614 Y HA 0.679 5.229 4.550 0.000 0.000 0.368 614 Y C -1.458 174.506 175.900 0.107 0.000 1.177 614 Y CA -1.390 56.785 58.100 0.125 0.000 1.290 614 Y CB 0.201 38.724 38.460 0.104 0.000 1.415 614 Y HN 1.132 nan 8.280 nan 0.000 0.501 615 A N 1.723 124.759 122.820 0.360 0.000 2.330 615 A HA 0.697 5.017 4.320 0.000 0.000 0.329 615 A C 0.348 178.109 177.584 0.294 0.000 1.135 615 A CA -0.410 51.777 52.037 0.250 0.000 0.817 615 A CB 1.178 20.263 19.000 0.142 0.000 1.269 615 A HN 0.905 nan 8.150 nan 0.000 0.469 616 E N 0.040 120.381 120.200 0.235 0.000 2.046 616 E HA -0.017 4.333 4.350 0.000 0.000 0.190 616 E C -0.070 176.601 176.600 0.120 0.000 0.982 616 E CA 1.398 57.932 56.400 0.224 0.000 0.800 616 E CB -0.036 29.836 29.700 0.286 0.000 0.756 616 E HN 0.646 nan 8.360 nan 0.000 0.449 617 T N 0.536 115.069 114.554 -0.034 0.000 2.912 617 T HA 0.587 4.937 4.350 0.000 0.000 0.288 617 T C -0.571 173.972 174.700 -0.260 0.000 1.030 617 T CA -0.909 61.011 62.100 -0.300 0.000 1.020 617 T CB 1.845 70.401 68.868 -0.521 0.000 1.056 617 T HN 0.194 nan 8.240 nan 0.000 0.480 618 R N 0.396 120.696 120.500 -0.332 0.000 2.736 618 R HA 0.377 4.718 4.340 0.000 0.000 0.250 618 R C -1.414 174.738 176.300 -0.247 0.000 1.098 618 R CA -0.982 54.993 56.100 -0.209 0.000 0.978 618 R CB 1.090 31.347 30.300 -0.072 0.000 1.263 618 R HN 0.508 nan 8.270 nan 0.000 0.460 619 R N 3.279 123.664 120.500 -0.190 0.000 2.608 619 R HA 0.342 4.682 4.340 0.000 0.000 0.277 619 R C -0.542 175.670 176.300 -0.147 0.000 1.341 619 R CA 0.030 56.027 56.100 -0.171 0.000 1.199 619 R CB 0.254 30.478 30.300 -0.126 0.000 1.156 619 R HN 0.624 nan 8.270 nan 0.000 0.558 620 L N 6.197 127.298 121.223 -0.203 0.000 2.536 620 L HA 0.082 4.422 4.340 0.000 0.000 0.282 620 L C -0.025 176.576 176.870 -0.448 0.000 1.174 620 L CA -0.521 54.099 54.840 -0.367 0.000 0.989 620 L CB -1.912 39.896 42.059 -0.419 0.000 1.311 620 L HN 0.806 nan 8.230 nan 0.000 0.455 621 Y N 1.328 121.602 120.300 -0.044 0.000 2.664 621 Y HA 0.096 4.646 4.550 0.000 0.000 0.111 621 Y C 0.964 176.838 175.900 -0.044 0.000 1.763 621 Y CA 0.078 58.151 58.100 -0.045 0.000 1.283 621 Y CB -1.399 37.035 38.460 -0.043 0.000 1.919 621 Y HN 2.564 nan 8.280 nan 0.000 0.282 622 G N 1.229 110.114 108.800 0.141 0.000 3.692 622 G HA2 -0.269 3.691 3.960 0.000 0.000 0.265 622 G HA3 -0.269 3.691 3.960 0.000 0.000 0.265 622 G C 0.083 174.999 174.900 0.027 0.000 1.733 622 G CA 0.147 45.296 45.100 0.081 0.000 1.144 622 G HN 0.822 nan 8.290 nan 0.000 0.602 623 K N 1.580 121.994 120.400 0.025 0.000 2.120 623 K HA 0.634 4.954 4.320 0.000 0.000 0.245 623 K C 0.407 176.958 176.600 -0.082 0.000 1.024 623 K CA -0.022 56.253 56.287 -0.020 0.000 0.906 623 K CB 0.811 33.307 32.500 -0.006 0.000 1.051 623 K HN 0.592 nan 8.250 nan 0.000 0.491 624 E N -0.236 119.897 120.200 -0.112 0.000 2.345 624 E HA 0.465 4.815 4.350 0.000 0.000 0.259 624 E C -1.224 175.189 176.600 -0.313 0.000 1.117 624 E CA -0.361 55.901 56.400 -0.231 0.000 0.913 624 E CB 0.848 30.425 29.700 -0.204 0.000 1.057 624 E HN 0.173 nan 8.360 nan 0.000 0.432 625 V N 2.358 121.919 119.914 -0.589 0.000 3.167 625 V HA 0.373 4.493 4.120 0.000 0.000 0.293 625 V C -1.875 173.662 176.094 -0.928 0.000 1.379 625 V CA -0.680 61.264 62.300 -0.593 0.000 1.019 625 V CB 1.534 33.112 31.823 -0.408 0.000 1.115 625 V HN 0.637 nan 8.190 nan 0.000 0.442 626 Y N 3.356 123.418 120.300 -0.397 0.000 2.354 626 Y HA 0.718 5.268 4.550 0.000 0.000 0.330 626 Y C 0.200 175.870 175.900 -0.384 0.000 1.011 626 Y CA -0.828 57.067 58.100 -0.341 0.000 1.099 626 Y CB 1.493 39.858 38.460 -0.158 0.000 1.179 626 Y HN 0.626 nan 8.280 nan 0.000 0.442 627 H N 1.072 120.192 119.070 0.085 0.000 2.994 627 H HA 0.642 5.198 4.556 0.000 0.000 0.276 627 H C -0.658 174.671 175.328 0.001 0.000 1.575 627 H CA -1.130 54.931 56.048 0.023 0.000 1.583 627 H CB 1.451 31.204 29.762 -0.014 0.000 1.735 627 H HN 0.522 nan 8.280 nan 0.000 0.901 628 R N 0.387 120.947 120.500 0.100 0.000 2.628 628 R HA 0.314 4.654 4.340 0.000 0.000 0.288 628 R C -2.729 173.477 176.300 -0.157 0.000 0.980 628 R CA -1.911 54.169 56.100 -0.034 0.000 0.891 628 R CB 1.854 32.132 30.300 -0.036 0.000 1.188 628 R HN 0.304 nan 8.270 nan 0.000 0.450 629 P HA -0.135 nan 4.420 nan 0.000 0.268 629 P C -0.720 176.382 177.300 -0.330 0.000 1.171 629 P CA 0.672 63.395 63.100 -0.627 0.000 0.761 629 P CB 0.447 31.700 31.700 -0.745 0.000 0.786 630 S N 2.174 117.714 115.700 -0.267 0.000 2.558 630 S HA -0.059 4.411 4.470 0.000 0.000 0.288 630 S C 1.589 176.057 174.600 -0.221 0.000 1.318 630 S CA -0.216 57.880 58.200 -0.173 0.000 1.056 630 S CB 0.163 63.359 63.200 -0.007 0.000 0.853 630 S HN 0.513 nan 8.310 nan 0.000 0.505 631 R N 1.228 121.506 120.500 -0.370 0.000 2.328 631 R HA -0.055 4.285 4.340 0.000 0.000 0.207 631 R C 0.644 176.756 176.300 -0.315 0.000 1.056 631 R CA 1.342 57.231 56.100 -0.352 0.000 1.016 631 R CB -0.362 29.680 30.300 -0.430 0.000 0.872 631 R HN 0.532 nan 8.270 nan 0.000 0.471 632 F N 1.586 121.445 119.950 -0.151 0.000 2.187 632 F HA 0.098 4.625 4.527 0.000 0.000 0.295 632 F C 2.108 177.843 175.800 -0.109 0.000 1.091 632 F CA 0.478 58.377 58.000 -0.168 0.000 1.308 632 F CB -0.339 38.473 39.000 -0.314 0.000 1.030 632 F HN -0.090 nan 8.300 nan 0.000 0.487 633 I N -0.484 120.140 120.570 0.091 0.000 2.335 633 I HA -0.175 3.995 4.170 0.000 0.000 0.251 633 I C 2.643 178.786 176.117 0.044 0.000 1.129 633 I CA 1.419 62.762 61.300 0.071 0.000 1.402 633 I CB -1.398 36.655 38.000 0.088 0.000 1.069 633 I HN 0.172 nan 8.210 nan 0.000 0.424 634 G N 1.237 110.043 108.800 0.010 0.000 2.394 634 G HA2 -0.169 3.791 3.960 0.000 0.000 0.215 634 G HA3 -0.169 3.791 3.960 0.000 0.000 0.215 634 G C 1.340 176.245 174.900 0.008 0.000 1.165 634 G CA 0.221 45.320 45.100 -0.001 0.000 0.784 634 G HN 0.505 nan 8.290 nan 0.000 0.535 635 E N 0.190 120.399 120.200 0.014 0.000 2.527 635 E HA 0.075 4.426 4.350 0.000 0.000 0.204 635 E C 0.117 176.736 176.600 0.032 0.000 1.132 635 E CA -0.195 56.218 56.400 0.023 0.000 0.905 635 E CB -0.122 29.602 29.700 0.041 0.000 0.875 635 E HN 0.343 nan 8.360 nan 0.000 0.548 636 L N 1.890 123.133 121.223 0.033 0.000 2.276 636 L HA 0.272 4.613 4.340 0.000 0.000 0.286 636 L C -2.172 174.714 176.870 0.027 0.000 1.061 636 L CA -2.471 52.389 54.840 0.034 0.000 0.807 636 L CB 0.776 42.858 42.059 0.039 0.000 1.177 636 L HN -0.295 nan 8.230 nan 0.000 0.429 637 P HA -0.084 nan 4.420 nan 0.000 0.256 637 P C 0.597 177.910 177.300 0.022 0.000 1.189 637 P CA 0.313 63.426 63.100 0.022 0.000 0.808 637 P CB 0.317 32.031 31.700 0.024 0.000 0.793 638 E N 3.071 123.282 120.200 0.019 0.000 2.333 638 E HA -0.260 4.090 4.350 0.000 0.000 0.200 638 E C 0.520 177.131 176.600 0.019 0.000 1.010 638 E CA 1.265 57.677 56.400 0.019 0.000 0.841 638 E CB 0.292 30.001 29.700 0.015 0.000 0.757 638 E HN 0.472 nan 8.360 nan 0.000 0.508 639 E N -0.635 119.576 120.200 0.018 0.000 2.285 639 E HA -0.087 4.263 4.350 0.000 0.000 0.194 639 E C 1.988 178.600 176.600 0.021 0.000 0.997 639 E CA 0.876 57.287 56.400 0.018 0.000 0.845 639 E CB -0.329 29.381 29.700 0.016 0.000 0.782 639 E HN 0.287 nan 8.360 nan 0.000 0.491 640 C N 0.569 119.883 119.300 0.023 0.000 2.500 640 C HA 0.089 4.549 4.460 0.000 0.000 0.279 640 C C 1.408 176.413 174.990 0.025 0.000 1.288 640 C CA -0.477 58.556 59.018 0.025 0.000 1.710 640 C CB -0.436 27.320 27.740 0.027 0.000 2.052 640 C HN 0.159 nan 8.230 nan 0.000 0.488 641 V N 1.556 121.486 119.914 0.027 0.000 3.237 641 V HA 0.161 4.282 4.120 0.000 0.000 0.305 641 V C -0.011 176.100 176.094 0.028 0.000 1.096 641 V CA 0.354 62.672 62.300 0.030 0.000 1.130 641 V CB 0.511 32.355 31.823 0.034 0.000 1.048 641 V HN 0.612 nan 8.190 nan 0.000 0.484 642 E N 1.018 121.236 120.200 0.031 0.000 2.367 642 E HA 0.286 4.637 4.350 0.000 0.000 0.292 642 E C -0.703 175.915 176.600 0.031 0.000 0.900 642 E CA -0.532 55.887 56.400 0.030 0.000 0.807 642 E CB 1.496 31.216 29.700 0.034 0.000 1.337 642 E HN 0.758 nan 8.360 nan 0.000 0.394 643 E N 1.644 121.855 120.200 0.019 0.000 2.470 643 E HA 0.147 4.497 4.350 0.000 0.000 0.258 643 E C -0.972 175.638 176.600 0.015 0.000 1.295 643 E CA 0.168 56.569 56.400 0.001 0.000 1.032 643 E CB 0.911 30.605 29.700 -0.011 0.000 0.980 643 E HN 0.224 nan 8.360 nan 0.000 0.500 644 V N 3.151 123.062 119.914 -0.004 0.000 2.763 644 V HA 0.159 4.279 4.120 0.000 0.000 0.257 644 V C -0.538 175.559 176.094 0.006 0.000 0.906 644 V CA -0.516 61.811 62.300 0.045 0.000 0.894 644 V CB 0.793 32.698 31.823 0.137 0.000 1.052 644 V HN 0.636 nan 8.190 nan 0.000 0.491 645 R N 2.474 122.971 120.500 -0.005 0.000 4.828 645 R HA 0.232 4.572 4.340 0.000 0.000 0.167 645 R C 0.491 176.800 176.300 0.014 0.000 2.071 645 R CA 0.091 56.176 56.100 -0.026 0.000 1.630 645 R CB -0.701 29.589 30.300 -0.017 0.000 1.359 645 R HN 0.601 nan 8.270 nan 0.000 0.834 646 L N 0.000 121.258 121.223 0.059 0.000 2.949 646 L HA 0.000 4.340 4.340 0.000 0.000 0.249 646 L CA 0.000 54.921 54.840 0.136 0.000 0.813 646 L CB 0.000 42.233 42.059 0.289 0.000 0.961 646 L HN 0.000 nan 8.230 nan 0.000 0.502