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 1eqb_1_C DATA FIRST_RESID 1 DATA SEQUENCE MLKREMNIAD YDAELWQAME QEKVRQEEHI ELIASENYTS PRVMQAQGSQ DATA SEQUENCE LTNKYAEGYP GKRYFGGCEY VDIVEQLAID RAKELFGADY ANVQPHSGSQ DATA SEQUENCE ANFAVYTALL EPGDTVLGMN LAHGGHLTHG SPVNFSGKLY NIVPYGIDAT DATA SEQUENCE GHIDYADLEK QAKEHKPKMI IGGFSAYSGV VDWAKMREIA DSIGAYLFVD DATA SEQUENCE MAHVAGLVAA GVYPNPVPHA HVVTTTTHKT LAGPRGGLIL AKGGSEELYK DATA SEQUENCE KLNSAVFPGG QGGPLMHVIA GKAVALKEAM EPEFKTYQQQ VAKNAKAMVE DATA SEQUENCE VFLERGYKVV SGGTDNHLFL VDLVDKNLTG KEADAALGRA NITVNKNSVP DATA SEQUENCE NDPKSPFVTS GIRVGTPAIT RRGFKEAEAK ELAGWMCDVL DSINDEAVIE DATA SEQUENCE RIKGKVLDIC ARYPVYA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.275 176.300 -0.041 0.000 1.140 1 M CA 0.000 55.281 55.300 -0.032 0.000 0.988 1 M CB 0.000 32.583 32.600 -0.028 0.000 1.302 2 L N 5.365 126.560 121.223 -0.047 0.000 2.360 2 L HA 0.358 4.698 4.340 -0.001 0.000 0.276 2 L C 0.419 177.254 176.870 -0.057 0.000 1.121 2 L CA -0.362 54.442 54.840 -0.060 0.000 0.845 2 L CB 0.470 42.490 42.059 -0.065 0.000 1.143 2 L HN 0.524 nan 8.230 nan 0.000 0.452 3 K N 4.063 124.426 120.400 -0.062 0.000 2.298 3 K HA 0.150 4.469 4.320 -0.001 0.000 0.280 3 K C 0.867 177.430 176.600 -0.061 0.000 1.032 3 K CA -0.198 56.055 56.287 -0.057 0.000 0.958 3 K CB 1.069 33.535 32.500 -0.057 0.000 0.978 3 K HN 0.518 nan 8.250 nan 0.000 0.472 4 R N 1.409 121.877 120.500 -0.053 0.000 2.280 4 R HA -0.105 4.235 4.340 -0.001 0.000 0.207 4 R C 1.191 177.457 176.300 -0.057 0.000 1.043 4 R CA 0.898 56.967 56.100 -0.053 0.000 1.006 4 R CB 0.110 30.383 30.300 -0.044 0.000 0.885 4 R HN 0.682 nan 8.270 nan 0.000 0.467 5 E N 0.484 120.649 120.200 -0.058 0.000 2.489 5 E HA 0.020 4.370 4.350 -0.001 0.000 0.193 5 E C 0.200 176.754 176.600 -0.077 0.000 1.057 5 E CA -0.012 56.351 56.400 -0.062 0.000 0.866 5 E CB 0.062 29.730 29.700 -0.055 0.000 0.916 5 E HN 0.180 nan 8.360 nan 0.000 0.500 6 M N 2.746 122.295 119.600 -0.085 0.000 2.238 6 M HA 0.103 4.583 4.480 -0.001 0.000 0.350 6 M C -0.315 175.921 176.300 -0.107 0.000 1.321 6 M CA 0.321 55.557 55.300 -0.106 0.000 1.097 6 M CB 0.194 32.715 32.600 -0.131 0.000 1.713 6 M HN 0.204 nan 8.290 nan 0.000 0.455 7 N N 1.682 120.315 118.700 -0.111 0.000 2.732 7 N HA 0.474 5.214 4.740 -0.001 0.000 0.259 7 N C -0.119 175.334 175.510 -0.094 0.000 1.402 7 N CA -0.929 52.046 53.050 -0.125 0.000 0.829 7 N CB 1.066 39.436 38.487 -0.195 0.000 1.495 7 N HN 0.518 nan 8.380 nan 0.000 0.511 8 I N -0.218 120.289 120.570 -0.107 0.000 2.233 8 I HA -0.135 4.034 4.170 -0.001 0.000 0.243 8 I C 2.518 178.539 176.117 -0.160 0.000 1.093 8 I CA 1.355 62.659 61.300 0.007 0.000 1.380 8 I CB -0.740 37.388 38.000 0.214 0.000 1.067 8 I HN 0.793 nan 8.210 nan 0.000 0.413 9 A N 1.943 124.333 122.820 -0.716 0.000 1.915 9 A HA -0.330 3.990 4.320 -0.001 0.000 0.220 9 A C 1.790 179.146 177.584 -0.379 0.000 1.198 9 A CA 2.864 54.306 52.037 -0.992 0.000 0.647 9 A CB -0.953 17.195 19.000 -1.420 0.000 0.825 9 A HN 0.673 nan 8.150 nan 0.000 0.456 10 D N -3.925 116.333 120.400 -0.237 0.000 2.367 10 D HA 0.011 4.651 4.640 -0.001 0.000 0.207 10 D C 1.395 177.686 176.300 -0.014 0.000 1.034 10 D CA 0.667 54.604 54.000 -0.105 0.000 0.861 10 D CB -0.318 40.432 40.800 -0.083 0.000 0.943 10 D HN 0.539 nan 8.370 nan 0.000 0.515 11 Y N 0.739 120.976 120.300 -0.105 0.000 2.441 11 Y HA 0.184 4.733 4.550 -0.001 0.000 0.288 11 Y C -0.302 175.583 175.900 -0.026 0.000 1.118 11 Y CA 0.420 58.485 58.100 -0.059 0.000 1.215 11 Y CB 0.712 39.137 38.460 -0.058 0.000 1.118 11 Y HN -0.097 nan 8.280 nan 0.000 0.547 12 D N 0.089 120.410 120.400 -0.131 0.000 2.517 12 D HA 0.299 4.939 4.640 -0.001 0.000 0.263 12 D C 0.735 177.052 176.300 0.028 0.000 1.233 12 D CA 0.412 54.330 54.000 -0.136 0.000 0.849 12 D CB 0.537 41.302 40.800 -0.058 0.000 1.261 12 D HN 0.247 nan 8.370 nan 0.000 0.516 13 A N 1.950 124.779 122.820 0.015 0.000 2.032 13 A HA -0.201 4.119 4.320 -0.001 0.000 0.221 13 A C 1.903 179.560 177.584 0.122 0.000 1.165 13 A CA 1.484 53.583 52.037 0.103 0.000 0.645 13 A CB -0.271 18.761 19.000 0.052 0.000 0.807 13 A HN 0.578 nan 8.150 nan 0.000 0.453 14 E N -0.988 119.248 120.200 0.060 0.000 2.047 14 E HA -0.147 4.203 4.350 -0.001 0.000 0.191 14 E C 1.898 178.536 176.600 0.063 0.000 0.987 14 E CA 1.145 57.572 56.400 0.045 0.000 0.799 14 E CB -0.147 29.561 29.700 0.014 0.000 0.752 14 E HN 0.519 nan 8.360 nan 0.000 0.449 15 L N 0.565 121.840 121.223 0.086 0.000 2.093 15 L HA -0.120 4.220 4.340 -0.001 0.000 0.208 15 L C 1.902 178.853 176.870 0.135 0.000 1.085 15 L CA 1.543 56.441 54.840 0.096 0.000 0.755 15 L CB -0.487 41.641 42.059 0.115 0.000 0.904 15 L HN 0.366 nan 8.230 nan 0.000 0.435 16 W N 0.207 121.506 121.300 -0.002 0.000 2.402 16 W HA -0.232 4.428 4.660 -0.000 0.000 0.286 16 W C 2.282 178.799 176.519 -0.004 0.000 1.221 16 W CA 1.545 58.890 57.345 -0.000 0.000 1.257 16 W CB 0.000 29.462 29.460 0.003 0.000 1.120 16 W HN 0.437 nan 8.180 nan 0.000 0.551 17 Q N 0.566 120.379 119.800 0.022 0.000 2.079 17 Q HA -0.147 4.192 4.340 -0.001 0.000 0.200 17 Q C 2.370 178.289 176.000 -0.136 0.000 0.974 17 Q CA 2.170 57.929 55.803 -0.073 0.000 0.840 17 Q CB -0.404 28.340 28.738 0.011 0.000 0.898 17 Q HN 0.133 nan 8.270 nan 0.000 0.430 18 A N 0.541 123.306 122.820 -0.091 0.000 1.898 18 A HA -0.160 4.159 4.320 -0.001 0.000 0.216 18 A C 2.065 179.562 177.584 -0.146 0.000 1.181 18 A CA 1.450 53.433 52.037 -0.090 0.000 0.620 18 A CB -0.499 18.474 19.000 -0.045 0.000 0.819 18 A HN 0.468 nan 8.150 nan 0.000 0.442 19 M N -0.868 118.612 119.600 -0.200 0.000 2.067 19 M HA -0.152 4.328 4.480 -0.001 0.000 0.260 19 M C 2.124 178.208 176.300 -0.359 0.000 1.069 19 M CA 1.495 56.637 55.300 -0.262 0.000 1.117 19 M CB -0.473 31.945 32.600 -0.304 0.000 1.334 19 M HN 0.307 nan 8.290 nan 0.000 0.407 20 E N 0.549 120.413 120.200 -0.559 0.000 2.130 20 E HA -0.227 4.123 4.350 -0.001 0.000 0.196 20 E C 1.932 178.376 176.600 -0.260 0.000 0.998 20 E CA 1.419 57.525 56.400 -0.491 0.000 0.806 20 E CB -0.408 28.950 29.700 -0.571 0.000 0.738 20 E HN 0.628 nan 8.360 nan 0.000 0.459 21 Q N 0.072 119.749 119.800 -0.205 0.000 2.119 21 Q HA -0.183 4.156 4.340 -0.001 0.000 0.201 21 Q C 2.109 178.033 176.000 -0.127 0.000 0.972 21 Q CA 1.320 57.043 55.803 -0.134 0.000 0.847 21 Q CB -0.095 28.581 28.738 -0.103 0.000 0.903 21 Q HN 0.097 nan 8.270 nan 0.000 0.433 22 E N 1.564 121.686 120.200 -0.130 0.000 2.110 22 E HA -0.193 4.157 4.350 -0.001 0.000 0.193 22 E C 1.685 178.231 176.600 -0.089 0.000 0.988 22 E CA 1.340 57.678 56.400 -0.104 0.000 0.804 22 E CB -0.016 29.631 29.700 -0.087 0.000 0.745 22 E HN 0.159 nan 8.360 nan 0.000 0.458 23 K N -0.457 119.875 120.400 -0.113 0.000 2.057 23 K HA -0.088 4.232 4.320 -0.001 0.000 0.207 23 K C 1.886 178.453 176.600 -0.055 0.000 1.049 23 K CA 1.436 57.672 56.287 -0.086 0.000 0.931 23 K CB 0.027 32.443 32.500 -0.141 0.000 0.714 23 K HN 0.088 nan 8.250 nan 0.000 0.440 24 V N 0.988 120.857 119.914 -0.076 0.000 2.488 24 V HA -0.117 4.002 4.120 -0.001 0.000 0.246 24 V C 2.447 178.501 176.094 -0.067 0.000 1.046 24 V CA 1.293 63.561 62.300 -0.054 0.000 1.053 24 V CB -0.468 31.323 31.823 -0.054 0.000 0.679 24 V HN 0.348 nan 8.190 nan 0.000 0.458 25 R N 0.140 120.564 120.500 -0.126 0.000 2.091 25 R HA -0.210 4.129 4.340 -0.001 0.000 0.238 25 R C 2.297 178.494 176.300 -0.172 0.000 1.136 25 R CA 1.875 57.815 56.100 -0.267 0.000 0.959 25 R CB -0.216 29.884 30.300 -0.333 0.000 0.856 25 R HN 0.575 nan 8.270 nan 0.000 0.437 26 Q N -0.547 119.221 119.800 -0.054 0.000 2.291 26 Q HA -0.136 4.203 4.340 -0.001 0.000 0.206 26 Q C 1.613 177.626 176.000 0.022 0.000 0.976 26 Q CA 1.028 56.860 55.803 0.049 0.000 0.875 26 Q CB 0.206 29.008 28.738 0.107 0.000 0.927 26 Q HN 0.323 nan 8.270 nan 0.000 0.450 27 E N 0.455 120.656 120.200 0.003 0.000 2.127 27 E HA -0.063 4.287 4.350 -0.001 0.000 0.191 27 E C 1.162 177.803 176.600 0.068 0.000 0.964 27 E CA 0.692 57.097 56.400 0.009 0.000 0.832 27 E CB 0.254 29.960 29.700 0.011 0.000 0.790 27 E HN 0.431 nan 8.360 nan 0.000 0.465 28 E N -0.053 120.200 120.200 0.088 0.000 2.489 28 E HA 0.042 4.392 4.350 -0.001 0.000 0.193 28 E C 0.184 176.974 176.600 0.318 0.000 1.057 28 E CA 0.163 56.663 56.400 0.166 0.000 0.866 28 E CB 0.200 29.989 29.700 0.148 0.000 0.916 28 E HN 0.299 nan 8.360 nan 0.000 0.500 29 H N 0.342 119.449 119.070 0.061 0.000 2.569 29 H HA 0.294 4.849 4.556 -0.001 0.000 0.357 29 H C -0.319 175.054 175.328 0.075 0.000 1.153 29 H CA -1.042 55.046 56.048 0.067 0.000 1.193 29 H CB 1.797 31.594 29.762 0.059 0.000 1.602 29 H HN -0.057 nan 8.280 nan 0.000 0.523 30 I N 3.275 123.928 120.570 0.138 0.000 2.281 30 I HA 0.022 4.191 4.170 -0.001 0.000 0.293 30 I C 0.268 176.417 176.117 0.052 0.000 1.085 30 I CA -0.195 61.147 61.300 0.070 0.000 1.257 30 I CB 0.454 38.504 38.000 0.084 0.000 1.430 30 I HN 0.462 nan 8.210 nan 0.000 0.489 31 E N 7.112 127.345 120.200 0.054 0.000 2.223 31 E HA 0.210 4.560 4.350 -0.001 0.000 0.282 31 E C 0.270 176.835 176.600 -0.059 0.000 1.046 31 E CA -0.121 56.287 56.400 0.013 0.000 0.857 31 E CB 1.903 31.597 29.700 -0.009 0.000 1.055 31 E HN 0.513 nan 8.360 nan 0.000 0.409 32 L N 4.059 125.249 121.223 -0.055 0.000 3.168 32 L HA 0.327 4.667 4.340 -0.001 0.000 0.277 32 L C 0.291 177.097 176.870 -0.106 0.000 1.245 32 L CA -0.103 54.682 54.840 -0.091 0.000 1.035 32 L CB 0.360 42.369 42.059 -0.083 0.000 1.399 32 L HN 0.361 nan 8.230 nan 0.000 0.580 33 I N 0.780 121.303 120.570 -0.078 0.000 2.363 33 I HA 0.077 4.247 4.170 -0.001 0.000 0.292 33 I C 1.642 177.734 176.117 -0.041 0.000 1.075 33 I CA -0.118 61.148 61.300 -0.058 0.000 1.333 33 I CB 1.540 39.520 38.000 -0.033 0.000 1.415 33 I HN 0.197 nan 8.210 nan 0.000 0.502 34 A N 4.733 127.543 122.820 -0.017 0.000 1.997 34 A HA -0.219 4.101 4.320 -0.001 0.000 0.221 34 A C 2.209 179.874 177.584 0.136 0.000 1.172 34 A CA 2.347 54.438 52.037 0.091 0.000 0.645 34 A CB -0.506 18.551 19.000 0.094 0.000 0.813 34 A HN 0.795 nan 8.150 nan 0.000 0.454 35 S N -1.198 114.539 115.700 0.062 0.000 2.593 35 S HA 0.199 4.669 4.470 -0.001 0.000 0.217 35 S C 0.442 174.980 174.600 -0.104 0.000 0.966 35 S CA -0.050 58.075 58.200 -0.125 0.000 0.914 35 S CB 0.051 63.209 63.200 -0.070 0.000 0.776 35 S HN 0.640 nan 8.310 nan 0.000 0.523 36 E N 0.745 120.901 120.200 -0.073 0.000 2.239 36 E HA 0.584 4.934 4.350 -0.001 0.000 0.261 36 E C -0.431 176.067 176.600 -0.170 0.000 1.016 36 E CA -0.823 55.520 56.400 -0.096 0.000 0.882 36 E CB 0.834 30.473 29.700 -0.101 0.000 1.190 36 E HN 0.174 nan 8.360 nan 0.000 0.415 37 N N -0.663 117.895 118.700 -0.237 0.000 3.441 37 N HA 0.202 4.941 4.740 -0.001 0.000 0.313 37 N C -2.036 173.227 175.510 -0.412 0.000 1.526 37 N CA -0.460 52.392 53.050 -0.331 0.000 0.871 37 N CB 0.667 39.103 38.487 -0.086 0.000 1.779 37 N HN 0.281 nan 8.380 nan 0.000 0.529 38 Y N 0.341 120.659 120.300 0.030 0.000 2.426 38 Y HA 0.309 4.859 4.550 -0.001 0.000 0.325 38 Y C 0.611 176.560 175.900 0.082 0.000 0.989 38 Y CA -0.565 57.557 58.100 0.038 0.000 1.284 38 Y CB 1.252 39.628 38.460 -0.139 0.000 1.104 38 Y HN 0.286 nan 8.280 nan 0.000 0.481 39 T N 2.126 116.847 114.554 0.279 0.000 2.898 39 T HA 0.284 4.634 4.350 -0.001 0.000 0.301 39 T C 0.577 175.428 174.700 0.252 0.000 1.049 39 T CA -0.353 61.868 62.100 0.201 0.000 1.095 39 T CB 0.312 69.265 68.868 0.142 0.000 0.976 39 T HN 0.752 nan 8.240 nan 0.000 0.539 40 S N 4.075 119.873 115.700 0.164 0.000 2.584 40 S HA 0.246 4.716 4.470 -0.001 0.000 0.270 40 S C -1.823 172.853 174.600 0.127 0.000 1.346 40 S CA -1.014 57.285 58.200 0.165 0.000 1.018 40 S CB 0.605 63.857 63.200 0.086 0.000 0.899 40 S HN 0.552 nan 8.310 nan 0.000 0.542 41 P HA -0.012 nan 4.420 nan 0.000 0.222 41 P C 1.295 178.600 177.300 0.008 0.000 1.147 41 P CA 0.863 63.968 63.100 0.008 0.000 0.790 41 P CB 0.063 31.764 31.700 0.001 0.000 0.780 42 R N -0.791 119.723 120.500 0.025 0.000 2.092 42 R HA -0.033 4.307 4.340 -0.001 0.000 0.231 42 R C 1.916 178.222 176.300 0.010 0.000 1.119 42 R CA 1.104 57.212 56.100 0.013 0.000 0.970 42 R CB -1.071 29.236 30.300 0.011 0.000 0.864 42 R HN 0.151 nan 8.270 nan 0.000 0.440 43 V N 1.236 121.161 119.914 0.019 0.000 2.453 43 V HA -0.181 3.939 4.120 -0.001 0.000 0.247 43 V C 2.275 178.376 176.094 0.011 0.000 1.048 43 V CA 1.515 63.824 62.300 0.016 0.000 1.049 43 V CB -0.309 31.531 31.823 0.029 0.000 0.672 43 V HN 0.290 nan 8.190 nan 0.000 0.457 44 M N -0.695 118.910 119.600 0.008 0.000 2.132 44 M HA -0.208 4.272 4.480 -0.001 0.000 0.263 44 M C 2.352 178.651 176.300 -0.001 0.000 1.065 44 M CA 1.710 57.007 55.300 -0.005 0.000 1.122 44 M CB -0.477 32.100 32.600 -0.039 0.000 1.365 44 M HN 0.335 nan 8.290 nan 0.000 0.411 45 Q N 0.576 120.373 119.800 -0.004 0.000 2.061 45 Q HA -0.202 4.138 4.340 -0.001 0.000 0.204 45 Q C 2.074 178.079 176.000 0.008 0.000 0.984 45 Q CA 2.055 57.856 55.803 -0.002 0.000 0.846 45 Q CB -0.078 28.657 28.738 -0.005 0.000 0.902 45 Q HN 0.538 nan 8.270 nan 0.000 0.421 46 A N 0.606 123.433 122.820 0.012 0.000 1.858 46 A HA -0.251 4.069 4.320 -0.001 0.000 0.216 46 A C 1.917 179.532 177.584 0.052 0.000 1.190 46 A CA 1.714 53.764 52.037 0.022 0.000 0.617 46 A CB -0.714 18.293 19.000 0.011 0.000 0.827 46 A HN 0.527 nan 8.150 nan 0.000 0.443 47 Q N -1.047 118.783 119.800 0.050 0.000 2.297 47 Q HA -0.111 4.229 4.340 -0.001 0.000 0.208 47 Q C 1.599 177.687 176.000 0.146 0.000 0.981 47 Q CA 0.922 56.791 55.803 0.111 0.000 0.876 47 Q CB -0.282 28.485 28.738 0.048 0.000 0.921 47 Q HN 0.676 nan 8.270 nan 0.000 0.446 48 G N 0.371 109.207 108.800 0.060 0.000 3.284 48 G HA2 0.063 4.023 3.960 -0.001 0.000 0.236 48 G HA3 0.063 4.023 3.960 -0.001 0.000 0.236 48 G C 0.275 175.172 174.900 -0.005 0.000 1.158 48 G CA 0.040 45.154 45.100 0.022 0.000 0.774 48 G HN 0.263 nan 8.290 nan 0.000 0.545 49 S N -0.954 114.751 115.700 0.008 0.000 2.661 49 S HA 0.203 4.673 4.470 -0.001 0.000 0.265 49 S C 1.023 175.591 174.600 -0.054 0.000 1.225 49 S CA -0.424 57.768 58.200 -0.014 0.000 0.986 49 S CB 1.165 64.370 63.200 0.007 0.000 1.008 49 S HN 0.223 nan 8.310 nan 0.000 0.565 50 Q N -0.168 119.601 119.800 -0.052 0.000 2.482 50 Q HA 0.169 4.509 4.340 -0.001 0.000 0.209 50 Q C 1.411 177.366 176.000 -0.075 0.000 0.961 50 Q CA 0.266 56.027 55.803 -0.071 0.000 0.945 50 Q CB -0.566 28.140 28.738 -0.052 0.000 1.012 50 Q HN 0.632 nan 8.270 nan 0.000 0.515 51 L N -0.138 121.057 121.223 -0.046 0.000 2.456 51 L HA -0.116 4.223 4.340 -0.001 0.000 0.224 51 L C 2.315 179.138 176.870 -0.079 0.000 1.148 51 L CA 0.867 55.695 54.840 -0.019 0.000 0.825 51 L CB -0.534 41.554 42.059 0.048 0.000 0.937 51 L HN 0.201 nan 8.230 nan 0.000 0.450 52 T N -0.455 113.944 114.554 -0.258 0.000 3.072 52 T HA -0.066 4.284 4.350 -0.001 0.000 0.266 52 T C 1.593 176.122 174.700 -0.285 0.000 1.127 52 T CA 0.987 62.765 62.100 -0.537 0.000 1.107 52 T CB -0.133 68.223 68.868 -0.854 0.000 0.910 52 T HN 0.337 nan 8.240 nan 0.000 0.513 53 N N 0.770 119.362 118.700 -0.180 0.000 2.416 53 N HA 0.056 4.796 4.740 -0.001 0.000 0.177 53 N C 0.570 176.015 175.510 -0.108 0.000 1.036 53 N CA 0.429 53.404 53.050 -0.125 0.000 0.901 53 N CB 0.055 38.493 38.487 -0.083 0.000 0.976 53 N HN 0.227 nan 8.380 nan 0.000 0.444 54 K N 0.924 121.258 120.400 -0.110 0.000 2.276 54 K HA 0.115 4.435 4.320 -0.001 0.000 0.283 54 K C -1.018 175.455 176.600 -0.211 0.000 1.044 54 K CA -0.346 55.877 56.287 -0.107 0.000 0.944 54 K CB 0.183 32.648 32.500 -0.059 0.000 1.012 54 K HN -0.016 nan 8.250 nan 0.000 0.472 55 Y N 0.871 120.974 120.300 -0.328 0.000 2.341 55 Y HA 0.348 4.898 4.550 -0.001 0.000 0.340 55 Y C 0.141 175.671 175.900 -0.616 0.000 0.997 55 Y CA -0.349 57.396 58.100 -0.591 0.000 1.149 55 Y CB 1.467 39.310 38.460 -1.029 0.000 1.171 55 Y HN 0.605 nan 8.280 nan 0.000 0.494 56 A N 4.985 127.650 122.820 -0.258 0.000 3.355 56 A HA 0.311 4.630 4.320 -0.001 0.000 0.290 56 A C -0.438 177.107 177.584 -0.064 0.000 0.973 56 A CA -0.658 51.329 52.037 -0.083 0.000 0.933 56 A CB -0.221 18.728 19.000 -0.085 0.000 1.138 56 A HN 0.774 nan 8.150 nan 0.000 0.490 57 E N 0.388 120.642 120.200 0.090 0.000 2.392 57 E HA 0.435 4.785 4.350 -0.001 0.000 0.264 57 E C 0.930 177.430 176.600 -0.167 0.000 1.024 57 E CA 1.063 57.291 56.400 -0.287 0.000 0.903 57 E CB 0.800 30.384 29.700 -0.192 0.000 0.963 57 E HN 1.105 nan 8.360 nan 0.000 0.432 58 G N 1.258 109.729 108.800 -0.550 0.000 2.472 58 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.205 58 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.205 58 G C -1.518 173.139 174.900 -0.404 0.000 1.270 58 G CA -0.778 44.314 45.100 -0.013 0.000 0.974 58 G HN 0.420 nan 8.290 nan 0.000 0.542 59 Y N 0.692 121.069 120.300 0.128 0.000 2.602 59 Y HA 0.619 5.169 4.550 -0.001 0.000 0.342 59 Y C -1.788 174.139 175.900 0.044 0.000 1.029 59 Y CA -1.630 56.512 58.100 0.070 0.000 1.080 59 Y CB 2.066 40.577 38.460 0.085 0.000 1.284 59 Y HN 0.461 nan 8.280 nan 0.000 0.485 60 P HA 0.000 nan 4.420 nan 0.000 0.256 60 P C 0.684 178.033 177.300 0.081 0.000 1.173 60 P CA 2.052 65.202 63.100 0.083 0.000 0.768 60 P CB 0.304 32.041 31.700 0.062 0.000 0.758 61 G N 3.711 112.540 108.800 0.048 0.000 2.308 61 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.221 61 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.221 61 G C 0.074 174.994 174.900 0.032 0.000 1.032 61 G CA -0.158 44.962 45.100 0.033 0.000 0.623 61 G HN 0.511 nan 8.290 nan 0.000 0.506 62 K N 1.723 122.165 120.400 0.070 0.000 2.800 62 K HA 0.532 4.852 4.320 -0.001 0.000 0.185 62 K C 0.431 177.066 176.600 0.058 0.000 1.082 62 K CA -0.377 55.939 56.287 0.048 0.000 0.978 62 K CB 0.689 33.251 32.500 0.103 0.000 1.364 62 K HN 0.261 nan 8.250 nan 0.000 0.592 63 R N -0.011 120.503 120.500 0.024 0.000 2.553 63 R HA 0.304 4.644 4.340 -0.001 0.000 0.263 63 R C 0.074 176.374 176.300 -0.000 0.000 1.066 63 R CA -0.485 55.673 56.100 0.097 0.000 1.135 63 R CB 0.311 30.683 30.300 0.121 0.000 1.148 63 R HN 0.334 nan 8.270 nan 0.000 0.558 64 Y N -0.564 119.791 120.300 0.090 0.000 2.507 64 Y HA 0.299 4.848 4.550 -0.001 0.000 0.254 64 Y C -0.404 175.225 175.900 -0.452 0.000 1.171 64 Y CA 0.032 58.050 58.100 -0.136 0.000 1.238 64 Y CB 0.417 38.770 38.460 -0.179 0.000 1.148 64 Y HN 0.292 nan 8.280 nan 0.000 0.525 65 F N -1.344 118.668 119.950 0.104 0.000 2.613 65 F HA 0.678 5.205 4.527 -0.001 0.000 0.314 65 F C 0.674 176.488 175.800 0.024 0.000 1.075 65 F CA -1.712 56.324 58.000 0.059 0.000 0.945 65 F CB 0.966 40.009 39.000 0.071 0.000 1.310 65 F HN -0.205 nan 8.300 nan 0.000 0.467 66 G N -0.657 108.267 108.800 0.206 0.000 2.477 66 G HA2 0.468 4.427 3.960 -0.001 0.000 0.304 66 G HA3 0.468 4.427 3.960 -0.001 0.000 0.304 66 G C 0.543 175.500 174.900 0.097 0.000 1.175 66 G CA -0.307 44.856 45.100 0.105 0.000 0.907 66 G HN 1.507 nan 8.290 nan 0.000 0.509 67 G N -1.828 106.997 108.800 0.040 0.000 2.137 67 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.237 67 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.237 67 G C 0.593 175.491 174.900 -0.002 0.000 1.002 67 G CA 0.335 45.448 45.100 0.023 0.000 0.702 67 G HN 0.997 nan 8.290 nan 0.000 0.515 68 C N 0.552 119.839 119.300 -0.022 0.000 2.404 68 C HA 0.416 4.876 4.460 -0.001 0.000 0.325 68 C C 1.968 176.881 174.990 -0.128 0.000 1.363 68 C CA 0.028 59.023 59.018 -0.038 0.000 1.775 68 C CB -0.754 26.992 27.740 0.010 0.000 2.254 68 C HN 0.623 nan 8.230 nan 0.000 0.568 69 E N 0.487 120.512 120.200 -0.292 0.000 2.072 69 E HA -0.122 4.227 4.350 -0.001 0.000 0.191 69 E C 1.124 177.406 176.600 -0.531 0.000 0.985 69 E CA 1.550 57.646 56.400 -0.507 0.000 0.801 69 E CB -0.178 29.013 29.700 -0.849 0.000 0.750 69 E HN 0.705 nan 8.360 nan 0.000 0.452 70 Y N -0.284 120.019 120.300 0.005 0.000 2.397 70 Y HA 0.002 4.552 4.550 -0.001 0.000 0.292 70 Y C 2.234 178.132 175.900 -0.003 0.000 1.115 70 Y CA 0.533 58.634 58.100 0.001 0.000 1.208 70 Y CB -0.646 37.812 38.460 -0.002 0.000 1.046 70 Y HN 0.002 nan 8.280 nan 0.000 0.552 71 V N -2.439 117.521 119.914 0.078 0.000 2.809 71 V HA -0.131 3.988 4.120 -0.001 0.000 0.256 71 V C 1.401 177.502 176.094 0.011 0.000 1.080 71 V CA 1.917 64.240 62.300 0.040 0.000 1.102 71 V CB -0.409 31.421 31.823 0.011 0.000 0.705 71 V HN 0.095 nan 8.190 nan 0.000 0.475 72 D N 0.770 121.164 120.400 -0.009 0.000 2.149 72 D HA 0.020 4.660 4.640 -0.001 0.000 0.201 72 D C 2.000 178.303 176.300 0.006 0.000 0.972 72 D CA 1.435 55.429 54.000 -0.010 0.000 0.835 72 D CB -0.183 40.597 40.800 -0.032 0.000 0.966 72 D HN 0.499 nan 8.370 nan 0.000 0.476 73 I N -0.150 120.431 120.570 0.019 0.000 2.252 73 I HA -0.210 3.959 4.170 -0.001 0.000 0.245 73 I C 2.202 178.337 176.117 0.032 0.000 1.102 73 I CA 0.486 61.807 61.300 0.036 0.000 1.385 73 I CB -0.069 37.977 38.000 0.076 0.000 1.064 73 I HN -0.084 nan 8.210 nan 0.000 0.414 74 V N 0.769 120.705 119.914 0.037 0.000 2.255 74 V HA -0.335 3.785 4.120 -0.001 0.000 0.247 74 V C 2.474 178.572 176.094 0.008 0.000 1.051 74 V CA 2.321 64.635 62.300 0.024 0.000 1.018 74 V CB -0.693 31.145 31.823 0.026 0.000 0.641 74 V HN 0.495 nan 8.190 nan 0.000 0.445 75 E N -0.411 119.791 120.200 0.004 0.000 2.153 75 E HA -0.307 4.042 4.350 -0.001 0.000 0.194 75 E C 2.221 178.822 176.600 0.001 0.000 0.988 75 E CA 1.339 57.736 56.400 -0.003 0.000 0.811 75 E CB -0.029 29.667 29.700 -0.006 0.000 0.746 75 E HN 0.561 nan 8.360 nan 0.000 0.466 76 Q N 0.558 120.362 119.800 0.006 0.000 2.079 76 Q HA -0.081 4.258 4.340 -0.001 0.000 0.200 76 Q C 2.092 178.089 176.000 -0.005 0.000 0.974 76 Q CA 1.226 57.030 55.803 0.003 0.000 0.840 76 Q CB -0.205 28.538 28.738 0.008 0.000 0.898 76 Q HN 0.376 nan 8.270 nan 0.000 0.430 77 L N -0.433 120.789 121.223 -0.002 0.000 2.012 77 L HA -0.204 4.135 4.340 -0.001 0.000 0.210 77 L C 2.312 179.174 176.870 -0.014 0.000 1.073 77 L CA 1.260 56.097 54.840 -0.006 0.000 0.748 77 L CB -0.735 41.323 42.059 -0.002 0.000 0.891 77 L HN 0.318 nan 8.230 nan 0.000 0.431 78 A N 0.078 122.890 122.820 -0.014 0.000 1.902 78 A HA -0.189 4.130 4.320 -0.001 0.000 0.217 78 A C 2.175 179.745 177.584 -0.024 0.000 1.181 78 A CA 1.540 53.566 52.037 -0.018 0.000 0.623 78 A CB -0.633 18.356 19.000 -0.018 0.000 0.818 78 A HN 0.373 nan 8.150 nan 0.000 0.443 79 I N -0.224 120.326 120.570 -0.033 0.000 2.202 79 I HA -0.225 3.945 4.170 -0.001 0.000 0.242 79 I C 1.932 178.018 176.117 -0.051 0.000 1.091 79 I CA 1.501 62.766 61.300 -0.059 0.000 1.368 79 I CB -0.502 37.455 38.000 -0.072 0.000 1.058 79 I HN 0.255 nan 8.210 nan 0.000 0.410 80 D N 0.853 121.233 120.400 -0.034 0.000 2.097 80 D HA -0.144 4.496 4.640 -0.001 0.000 0.195 80 D C 2.331 178.618 176.300 -0.021 0.000 0.989 80 D CA 1.113 55.098 54.000 -0.026 0.000 0.827 80 D CB -0.283 40.507 40.800 -0.017 0.000 0.966 80 D HN 0.316 nan 8.370 nan 0.000 0.456 81 R N 0.972 121.458 120.500 -0.022 0.000 2.096 81 R HA 0.002 4.342 4.340 -0.001 0.000 0.235 81 R C 2.282 178.573 176.300 -0.015 0.000 1.127 81 R CA 1.075 57.157 56.100 -0.030 0.000 0.968 81 R CB -0.617 29.660 30.300 -0.039 0.000 0.861 81 R HN 0.109 nan 8.270 nan 0.000 0.440 82 A N 2.253 125.081 122.820 0.014 0.000 1.908 82 A HA -0.183 4.137 4.320 -0.001 0.000 0.218 82 A C 2.099 179.759 177.584 0.127 0.000 1.181 82 A CA 1.470 53.562 52.037 0.093 0.000 0.627 82 A CB -0.293 18.740 19.000 0.054 0.000 0.818 82 A HN 0.243 nan 8.150 nan 0.000 0.445 83 K N -0.764 119.661 120.400 0.041 0.000 2.057 83 K HA -0.157 4.162 4.320 -0.001 0.000 0.206 83 K C 2.121 178.747 176.600 0.044 0.000 1.050 83 K CA 1.463 57.774 56.287 0.040 0.000 0.935 83 K CB -0.139 32.355 32.500 -0.009 0.000 0.715 83 K HN 0.710 nan 8.250 nan 0.000 0.439 84 E N 1.063 121.267 120.200 0.007 0.000 2.106 84 E HA -0.171 4.179 4.350 -0.001 0.000 0.192 84 E C 1.982 178.550 176.600 -0.053 0.000 0.984 84 E CA 0.511 56.903 56.400 -0.015 0.000 0.806 84 E CB 0.076 29.760 29.700 -0.026 0.000 0.750 84 E HN 0.074 nan 8.360 nan 0.000 0.458 85 L N -0.332 120.823 121.223 -0.113 0.000 2.201 85 L HA -0.038 4.301 4.340 -0.001 0.000 0.212 85 L C 1.199 177.804 176.870 -0.442 0.000 1.105 85 L CA 1.585 56.240 54.840 -0.308 0.000 0.775 85 L CB -0.090 41.692 42.059 -0.461 0.000 0.913 85 L HN 0.152 nan 8.230 nan 0.000 0.440 86 F N -0.687 119.266 119.950 0.005 0.000 2.706 86 F HA 0.440 4.966 4.527 -0.001 0.000 0.308 86 F C 1.722 177.531 175.800 0.014 0.000 1.095 86 F CA 0.243 58.252 58.000 0.016 0.000 1.244 86 F CB -0.019 38.983 39.000 0.004 0.000 1.063 86 F HN 0.054 nan 8.300 nan 0.000 0.582 87 G N 1.160 110.042 108.800 0.136 0.000 2.182 87 G HA2 -0.031 3.929 3.960 -0.001 0.000 0.248 87 G HA3 -0.031 3.929 3.960 -0.001 0.000 0.248 87 G C 0.110 175.062 174.900 0.086 0.000 1.042 87 G CA -0.002 45.152 45.100 0.089 0.000 0.775 87 G HN 0.633 nan 8.290 nan 0.000 0.501 88 A N -0.447 122.429 122.820 0.094 0.000 2.281 88 A HA 0.759 5.079 4.320 -0.001 0.000 0.329 88 A C 0.867 178.480 177.584 0.049 0.000 1.122 88 A CA 0.374 52.452 52.037 0.069 0.000 0.850 88 A CB 0.824 19.858 19.000 0.057 0.000 1.207 88 A HN 0.635 nan 8.150 nan 0.000 0.495 89 D N -1.798 118.639 120.400 0.061 0.000 2.398 89 D HA 0.176 4.816 4.640 -0.001 0.000 0.210 89 D C -0.412 175.895 176.300 0.012 0.000 1.094 89 D CA 0.256 54.293 54.000 0.063 0.000 0.839 89 D CB 0.013 40.889 40.800 0.127 0.000 0.963 89 D HN 0.375 nan 8.370 nan 0.000 0.506 90 Y N 0.731 120.890 120.300 -0.235 0.000 2.470 90 Y HA 0.621 5.170 4.550 -0.001 0.000 0.341 90 Y C -1.898 173.836 175.900 -0.277 0.000 1.021 90 Y CA -1.182 56.650 58.100 -0.447 0.000 1.025 90 Y CB 1.830 39.575 38.460 -1.192 0.000 1.266 90 Y HN 0.064 nan 8.280 nan 0.000 0.448 91 A N 5.170 127.341 122.820 -1.082 0.000 2.517 91 A HA 0.514 4.834 4.320 -0.001 0.000 0.297 91 A C -2.068 175.061 177.584 -0.758 0.000 1.050 91 A CA -0.838 50.780 52.037 -0.698 0.000 0.694 91 A CB 1.517 20.341 19.000 -0.293 0.000 1.277 91 A HN 0.685 nan 8.150 nan 0.000 0.400 92 N N 1.884 120.322 118.700 -0.436 0.000 2.442 92 N HA 0.367 5.107 4.740 -0.001 0.000 0.274 92 N C 0.076 175.549 175.510 -0.060 0.000 1.002 92 N CA -0.068 52.873 53.050 -0.182 0.000 0.910 92 N CB 2.012 40.497 38.487 -0.003 0.000 1.244 92 N HN 0.871 nan 8.380 nan 0.000 0.492 93 V N 1.239 121.135 119.914 -0.030 0.000 3.444 93 V HA 0.235 4.355 4.120 -0.001 0.000 0.308 93 V C 1.243 177.321 176.094 -0.027 0.000 1.371 93 V CA 0.283 62.568 62.300 -0.025 0.000 1.141 93 V CB -0.024 31.781 31.823 -0.029 0.000 1.037 93 V HN 0.539 nan 8.190 nan 0.000 0.433 94 Q N 0.495 120.282 119.800 -0.021 0.000 2.354 94 Q HA 0.185 4.525 4.340 -0.001 0.000 0.203 94 Q C -1.575 174.328 176.000 -0.161 0.000 0.933 94 Q CA -0.477 55.272 55.803 -0.090 0.000 0.901 94 Q CB -0.794 27.875 28.738 -0.114 0.000 1.007 94 Q HN 0.538 nan 8.270 nan 0.000 0.495 95 P HA -0.132 nan 4.420 nan 0.000 0.260 95 P C -0.125 177.123 177.300 -0.087 0.000 1.172 95 P CA 0.691 63.732 63.100 -0.098 0.000 0.760 95 P CB 0.377 32.088 31.700 0.018 0.000 0.773 96 H N 0.623 119.701 119.070 0.014 0.000 2.521 96 H HA 0.019 4.574 4.556 -0.001 0.000 0.286 96 H C 1.069 176.395 175.328 -0.003 0.000 1.034 96 H CA 1.143 57.181 56.048 -0.016 0.000 1.278 96 H CB 0.117 29.863 29.762 -0.027 0.000 1.386 96 H HN 0.509 nan 8.280 nan 0.000 0.567 97 S N -2.850 112.932 115.700 0.138 0.000 2.683 97 S HA 0.376 4.846 4.470 -0.001 0.000 0.269 97 S C 1.320 176.014 174.600 0.156 0.000 1.165 97 S CA -0.379 57.901 58.200 0.135 0.000 0.840 97 S CB 0.941 64.216 63.200 0.125 0.000 1.169 97 S HN 0.086 nan 8.310 nan 0.000 0.490 98 G N 1.073 109.979 108.800 0.177 0.000 2.402 98 G HA2 -0.022 3.938 3.960 -0.001 0.000 0.216 98 G HA3 -0.022 3.938 3.960 -0.001 0.000 0.216 98 G C 1.307 176.338 174.900 0.219 0.000 1.162 98 G CA 1.160 46.348 45.100 0.147 0.000 0.777 98 G HN 0.760 nan 8.290 nan 0.000 0.539 99 S N 0.494 116.349 115.700 0.258 0.000 2.359 99 S HA -0.155 4.315 4.470 -0.001 0.000 0.224 99 S C 2.424 177.262 174.600 0.397 0.000 1.035 99 S CA 1.612 60.044 58.200 0.387 0.000 1.018 99 S CB -0.258 63.159 63.200 0.363 0.000 0.876 99 S HN 0.318 nan 8.310 nan 0.000 0.448 100 Q N 1.184 121.134 119.800 0.251 0.000 2.084 100 Q HA 0.111 4.450 4.340 -0.001 0.000 0.202 100 Q C 2.368 178.513 176.000 0.241 0.000 0.978 100 Q CA 1.528 57.448 55.803 0.195 0.000 0.844 100 Q CB -0.781 28.022 28.738 0.109 0.000 0.898 100 Q HN 0.550 nan 8.270 nan 0.000 0.426 101 A N 0.793 123.738 122.820 0.208 0.000 1.883 101 A HA -0.242 4.077 4.320 -0.001 0.000 0.217 101 A C 1.836 179.559 177.584 0.232 0.000 1.186 101 A CA 1.828 53.973 52.037 0.180 0.000 0.624 101 A CB -0.679 18.409 19.000 0.146 0.000 0.822 101 A HN 0.354 nan 8.150 nan 0.000 0.444 102 N N -0.899 118.022 118.700 0.369 0.000 2.120 102 N HA -0.145 4.595 4.740 -0.001 0.000 0.188 102 N C 1.419 177.283 175.510 0.590 0.000 1.024 102 N CA 1.526 54.879 53.050 0.505 0.000 0.852 102 N CB -0.711 38.222 38.487 0.743 0.000 1.003 102 N HN 0.547 nan 8.380 nan 0.000 0.424 103 F N 1.642 121.871 119.950 0.465 0.000 2.161 103 F HA -0.175 4.352 4.527 -0.001 0.000 0.300 103 F C 2.128 178.010 175.800 0.136 0.000 1.089 103 F CA 1.403 59.528 58.000 0.209 0.000 1.282 103 F CB -0.246 38.574 39.000 -0.299 0.000 1.010 103 F HN 0.051 nan 8.300 nan 0.000 0.485 104 A N -0.149 122.792 122.820 0.202 0.000 1.877 104 A HA -0.132 4.188 4.320 -0.001 0.000 0.216 104 A C 2.295 179.811 177.584 -0.113 0.000 1.186 104 A CA 1.945 54.013 52.037 0.052 0.000 0.620 104 A CB -1.394 17.669 19.000 0.105 0.000 0.822 104 A HN 0.254 nan 8.150 nan 0.000 0.443 105 V N -1.269 118.529 119.914 -0.194 0.000 2.332 105 V HA -0.325 3.795 4.120 -0.001 0.000 0.248 105 V C 2.353 178.168 176.094 -0.466 0.000 1.055 105 V CA 2.143 64.162 62.300 -0.469 0.000 1.038 105 V CB -1.122 30.100 31.823 -1.001 0.000 0.651 105 V HN 0.658 nan 8.190 nan 0.000 0.450 106 Y N 1.446 121.521 120.300 -0.375 0.000 2.089 106 Y HA -0.264 4.285 4.550 -0.001 0.000 0.282 106 Y C 3.000 178.707 175.900 -0.322 0.000 1.139 106 Y CA 2.169 60.051 58.100 -0.364 0.000 1.123 106 Y CB -1.044 37.290 38.460 -0.211 0.000 0.980 106 Y HN 0.418 nan 8.280 nan 0.000 0.493 107 T N -2.323 112.128 114.554 -0.173 0.000 2.977 107 T HA -0.077 4.273 4.350 -0.001 0.000 0.271 107 T C 1.780 176.404 174.700 -0.127 0.000 1.105 107 T CA 0.881 62.876 62.100 -0.176 0.000 1.116 107 T CB -0.447 68.206 68.868 -0.357 0.000 0.878 107 T HN 0.319 nan 8.240 nan 0.000 0.509 108 A N 0.666 123.386 122.820 -0.166 0.000 2.095 108 A HA 0.517 4.837 4.320 -0.001 0.000 0.212 108 A C 2.098 179.564 177.584 -0.196 0.000 1.162 108 A CA 0.269 52.211 52.037 -0.158 0.000 0.753 108 A CB -0.189 18.709 19.000 -0.169 0.000 0.840 108 A HN 0.532 nan 8.150 nan 0.000 0.468 109 L N -1.242 119.824 121.223 -0.261 0.000 2.672 109 L HA 0.375 4.715 4.340 -0.001 0.000 0.236 109 L C -0.035 176.756 176.870 -0.131 0.000 1.092 109 L CA 0.055 54.709 54.840 -0.310 0.000 0.887 109 L CB 0.204 41.874 42.059 -0.649 0.000 1.168 109 L HN 0.158 nan 8.230 nan 0.000 0.502 110 L N -1.022 120.140 121.223 -0.101 0.000 2.279 110 L HA 0.531 4.871 4.340 -0.001 0.000 0.262 110 L C -0.455 176.482 176.870 0.111 0.000 1.019 110 L CA -0.847 53.991 54.840 -0.003 0.000 0.823 110 L CB 1.852 43.839 42.059 -0.119 0.000 1.358 110 L HN -0.177 nan 8.230 nan 0.000 0.432 111 E N 0.773 121.078 120.200 0.175 0.000 2.195 111 E HA 0.389 4.739 4.350 -0.001 0.000 0.271 111 E C -2.460 174.313 176.600 0.289 0.000 0.923 111 E CA -2.129 54.379 56.400 0.180 0.000 0.790 111 E CB 1.714 31.477 29.700 0.106 0.000 1.155 111 E HN 0.180 nan 8.360 nan 0.000 0.402 112 P HA -0.001 nan 4.420 nan 0.000 0.261 112 P C 0.656 177.990 177.300 0.056 0.000 1.173 112 P CA 1.206 64.295 63.100 -0.018 0.000 0.760 112 P CB 0.362 32.011 31.700 -0.086 0.000 0.783 113 G N 1.871 110.713 108.800 0.069 0.000 2.194 113 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.236 113 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.236 113 G C 0.074 175.083 174.900 0.182 0.000 0.987 113 G CA -0.340 44.822 45.100 0.104 0.000 0.635 113 G HN 0.483 nan 8.290 nan 0.000 0.520 114 D N 1.252 121.821 120.400 0.282 0.000 2.368 114 D HA 0.460 5.099 4.640 -0.001 0.000 0.240 114 D C 0.765 177.181 176.300 0.193 0.000 1.169 114 D CA 0.719 54.841 54.000 0.203 0.000 0.906 114 D CB 0.668 41.571 40.800 0.171 0.000 1.187 114 D HN 0.109 nan 8.370 nan 0.000 0.435 115 T N 0.682 115.312 114.554 0.127 0.000 2.856 115 T HA 0.440 4.790 4.350 -0.001 0.000 0.292 115 T C -0.032 174.726 174.700 0.096 0.000 0.980 115 T CA -0.525 61.640 62.100 0.109 0.000 1.091 115 T CB 0.899 69.821 68.868 0.091 0.000 0.936 115 T HN -0.012 nan 8.240 nan 0.000 0.503 116 V N 3.866 123.839 119.914 0.098 0.000 2.709 116 V HA 0.480 4.600 4.120 -0.001 0.000 0.308 116 V C -0.800 175.346 176.094 0.087 0.000 1.062 116 V CA -0.980 61.378 62.300 0.096 0.000 0.901 116 V CB 2.080 33.982 31.823 0.130 0.000 1.003 116 V HN 0.670 nan 8.190 nan 0.000 0.425 117 L N 4.147 125.434 121.223 0.106 0.000 2.277 117 L HA 0.901 5.240 4.340 -0.001 0.000 0.284 117 L C 0.273 177.248 176.870 0.176 0.000 1.028 117 L CA 0.480 55.407 54.840 0.144 0.000 0.835 117 L CB 0.682 42.845 42.059 0.173 0.000 1.215 117 L HN 0.787 nan 8.230 nan 0.000 0.425 118 G N 4.191 113.018 108.800 0.044 0.000 2.574 118 G HA2 0.435 4.395 3.960 -0.001 0.000 0.299 118 G HA3 0.435 4.395 3.960 -0.001 0.000 0.299 118 G C -1.183 173.324 174.900 -0.656 0.000 1.298 118 G CA -0.886 44.124 45.100 -0.150 0.000 0.952 118 G HN 0.588 nan 8.290 nan 0.000 0.477 119 M N 2.368 121.405 119.600 -0.937 0.000 2.217 119 M HA 0.134 4.614 4.480 -0.001 0.000 0.352 119 M C 0.667 176.734 176.300 -0.387 0.000 1.376 119 M CA -0.618 54.048 55.300 -1.057 0.000 1.107 119 M CB 0.326 32.569 32.600 -0.596 0.000 1.723 119 M HN 0.638 nan 8.290 nan 0.000 0.461 120 N N 4.149 122.638 118.700 -0.353 0.000 2.353 120 N HA -0.086 4.653 4.740 -0.001 0.000 0.248 120 N C 0.636 176.116 175.510 -0.051 0.000 1.240 120 N CA 0.228 53.172 53.050 -0.178 0.000 0.862 120 N CB 0.715 39.054 38.487 -0.247 0.000 1.086 120 N HN 0.962 nan 8.380 nan 0.000 0.453 121 L N 4.376 125.584 121.223 -0.026 0.000 2.012 121 L HA -0.188 4.151 4.340 -0.001 0.000 0.210 121 L C 2.277 179.173 176.870 0.044 0.000 1.073 121 L CA 1.989 56.828 54.840 -0.001 0.000 0.748 121 L CB -0.456 41.582 42.059 -0.036 0.000 0.891 121 L HN 0.783 nan 8.230 nan 0.000 0.431 122 A N -1.689 121.177 122.820 0.076 0.000 2.019 122 A HA -0.236 4.084 4.320 -0.001 0.000 0.219 122 A C 1.899 179.552 177.584 0.114 0.000 1.164 122 A CA 1.458 53.554 52.037 0.097 0.000 0.644 122 A CB -0.922 18.152 19.000 0.124 0.000 0.805 122 A HN 0.687 nan 8.150 nan 0.000 0.449 123 H N -1.800 117.254 119.070 -0.027 0.000 2.539 123 H HA 0.227 4.782 4.556 -0.001 0.000 0.267 123 H C 1.543 176.863 175.328 -0.014 0.000 0.982 123 H CA 0.407 56.439 56.048 -0.027 0.000 1.146 123 H CB 0.310 30.042 29.762 -0.049 0.000 1.382 123 H HN 0.655 nan 8.280 nan 0.000 0.577 124 G N 0.307 109.170 108.800 0.106 0.000 2.229 124 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.189 124 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.189 124 G C 0.710 175.716 174.900 0.177 0.000 1.000 124 G CA -0.238 44.933 45.100 0.119 0.000 0.663 124 G HN 0.589 nan 8.290 nan 0.000 0.493 125 G N -0.500 108.379 108.800 0.132 0.000 2.572 125 G HA2 0.501 4.461 3.960 -0.001 0.000 0.261 125 G HA3 0.501 4.461 3.960 -0.001 0.000 0.261 125 G C -0.161 174.803 174.900 0.107 0.000 1.197 125 G CA 0.106 45.326 45.100 0.200 0.000 0.870 125 G HN 0.476 nan 8.290 nan 0.000 0.548 126 H N 0.566 119.527 119.070 -0.182 0.000 2.508 126 H HA 0.188 4.744 4.556 -0.001 0.000 0.358 126 H C 1.349 176.497 175.328 -0.301 0.000 1.212 126 H CA -0.723 55.089 56.048 -0.394 0.000 1.356 126 H CB 1.279 30.601 29.762 -0.734 0.000 1.525 126 H HN 0.287 nan 8.280 nan 0.000 0.578 127 L N 1.399 121.991 121.223 -1.051 0.000 2.013 127 L HA -0.225 4.114 4.340 -0.001 0.000 0.212 127 L C 2.448 179.071 176.870 -0.412 0.000 1.073 127 L CA 2.159 56.620 54.840 -0.632 0.000 0.753 127 L CB -0.519 41.170 42.059 -0.617 0.000 0.890 127 L HN 0.741 nan 8.230 nan 0.000 0.432 128 T N -4.918 109.437 114.554 -0.332 0.000 3.284 128 T HA -0.098 4.252 4.350 -0.001 0.000 0.252 128 T C 0.882 175.720 174.700 0.229 0.000 1.144 128 T CA 0.422 62.485 62.100 -0.062 0.000 1.021 128 T CB -0.701 68.335 68.868 0.280 0.000 0.984 128 T HN 0.487 nan 8.240 nan 0.000 0.545 129 H N 0.149 119.265 119.070 0.076 0.000 2.487 129 H HA 0.465 5.021 4.556 -0.001 0.000 0.290 129 H C 1.541 176.891 175.328 0.036 0.000 1.081 129 H CA -0.384 55.729 56.048 0.108 0.000 1.116 129 H CB 0.284 30.075 29.762 0.048 0.000 1.560 129 H HN 0.544 nan 8.280 nan 0.000 0.548 130 G N 0.677 109.530 108.800 0.089 0.000 2.198 130 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.156 130 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.156 130 G C 0.207 175.083 174.900 -0.040 0.000 1.012 130 G CA -0.045 45.071 45.100 0.027 0.000 0.692 130 G HN 0.318 nan 8.290 nan 0.000 0.492 131 S N 1.771 117.420 115.700 -0.085 0.000 2.537 131 S HA 0.403 4.872 4.470 -0.001 0.000 0.286 131 S C 0.149 174.701 174.600 -0.081 0.000 1.299 131 S CA -0.110 58.036 58.200 -0.091 0.000 1.067 131 S CB 1.161 64.285 63.200 -0.126 0.000 0.864 131 S HN 0.220 nan 8.310 nan 0.000 0.494 132 P HA -0.061 nan 4.420 nan 0.000 0.225 132 P C 1.012 178.290 177.300 -0.037 0.000 1.148 132 P CA 0.952 64.029 63.100 -0.039 0.000 0.779 132 P CB -0.241 31.443 31.700 -0.026 0.000 0.780 133 V N -3.905 115.983 119.914 -0.044 0.000 3.514 133 V HA 0.304 4.424 4.120 -0.001 0.000 0.301 133 V C 0.573 176.646 176.094 -0.036 0.000 1.346 133 V CA -0.415 61.866 62.300 -0.031 0.000 1.156 133 V CB -1.033 30.775 31.823 -0.025 0.000 1.029 133 V HN 0.028 nan 8.190 nan 0.000 0.428 134 N N 0.375 119.032 118.700 -0.073 0.000 2.328 134 N HA 0.267 5.006 4.740 -0.001 0.000 0.299 134 N C 0.816 176.261 175.510 -0.109 0.000 1.179 134 N CA -0.142 52.842 53.050 -0.110 0.000 0.793 134 N CB 2.221 40.563 38.487 -0.241 0.000 1.366 134 N HN 0.144 nan 8.380 nan 0.000 0.493 135 F N 1.622 121.583 119.950 0.018 0.000 2.202 135 F HA -0.131 4.396 4.527 -0.001 0.000 0.301 135 F C 2.222 178.003 175.800 -0.032 0.000 1.082 135 F CA 1.426 59.437 58.000 0.019 0.000 1.313 135 F CB -1.062 38.008 39.000 0.118 0.000 1.024 135 F HN 0.434 nan 8.300 nan 0.000 0.495 136 S N 0.483 115.720 115.700 -0.772 0.000 2.368 136 S HA -0.071 4.399 4.470 -0.001 0.000 0.225 136 S C 2.278 176.833 174.600 -0.075 0.000 1.030 136 S CA 0.995 58.910 58.200 -0.476 0.000 0.999 136 S CB -1.654 61.197 63.200 -0.581 0.000 0.844 136 S HN 0.562 nan 8.310 nan 0.000 0.459 137 G N 1.228 109.965 108.800 -0.106 0.000 2.511 137 G HA2 0.049 4.009 3.960 -0.001 0.000 0.217 137 G HA3 0.049 4.009 3.960 -0.001 0.000 0.217 137 G C 1.518 176.403 174.900 -0.025 0.000 1.133 137 G CA 0.198 45.279 45.100 -0.032 0.000 0.792 137 G HN 0.534 nan 8.290 nan 0.000 0.539 138 K N -0.291 120.087 120.400 -0.038 0.000 2.186 138 K HA 0.241 4.560 4.320 -0.001 0.000 0.202 138 K C 2.098 178.638 176.600 -0.101 0.000 1.052 138 K CA 0.302 56.565 56.287 -0.040 0.000 0.965 138 K CB -0.013 32.483 32.500 -0.007 0.000 0.746 138 K HN 0.263 nan 8.250 nan 0.000 0.457 139 L N -0.259 120.841 121.223 -0.206 0.000 2.477 139 L HA 0.109 4.449 4.340 -0.001 0.000 0.220 139 L C 0.117 176.520 176.870 -0.778 0.000 1.106 139 L CA 0.161 54.692 54.840 -0.516 0.000 0.851 139 L CB 0.081 41.705 42.059 -0.725 0.000 0.994 139 L HN 0.020 nan 8.230 nan 0.000 0.462 140 Y N -1.505 118.810 120.300 0.026 0.000 2.602 140 Y HA 0.329 4.879 4.550 -0.001 0.000 0.342 140 Y C -0.033 175.887 175.900 0.035 0.000 1.029 140 Y CA -1.744 56.384 58.100 0.046 0.000 1.080 140 Y CB 0.789 39.304 38.460 0.091 0.000 1.284 140 Y HN -0.237 nan 8.280 nan 0.000 0.485 141 N N 1.597 120.427 118.700 0.218 0.000 2.437 141 N HA 0.275 5.015 4.740 -0.001 0.000 0.243 141 N C -1.489 174.083 175.510 0.103 0.000 1.041 141 N CA -0.049 53.071 53.050 0.116 0.000 0.940 141 N CB 0.100 38.643 38.487 0.094 0.000 1.133 141 N HN 0.423 nan 8.380 nan 0.000 0.506 142 I N 3.580 124.190 120.570 0.067 0.000 2.353 142 I HA 0.291 4.460 4.170 -0.001 0.000 0.293 142 I C -0.158 175.940 176.117 -0.032 0.000 0.992 142 I CA -0.871 60.453 61.300 0.040 0.000 1.268 142 I CB 1.295 39.320 38.000 0.042 0.000 1.387 142 I HN 0.158 nan 8.210 nan 0.000 0.478 143 V N 8.461 128.340 119.914 -0.059 0.000 2.409 143 V HA 0.392 4.512 4.120 -0.001 0.000 0.291 143 V C -2.076 173.979 176.094 -0.066 0.000 1.020 143 V CA -1.373 60.843 62.300 -0.140 0.000 0.848 143 V CB 1.902 33.550 31.823 -0.290 0.000 0.990 143 V HN 0.626 nan 8.190 nan 0.000 0.430 144 P HA 0.501 nan 4.420 nan 0.000 0.281 144 P C -1.834 175.449 177.300 -0.029 0.000 1.264 144 P CA -0.441 62.595 63.100 -0.107 0.000 0.824 144 P CB 1.510 33.129 31.700 -0.136 0.000 1.092 145 Y N -2.220 118.010 120.300 -0.117 0.000 2.513 145 Y HA 0.762 5.312 4.550 -0.001 0.000 0.340 145 Y C -0.345 175.437 175.900 -0.196 0.000 1.055 145 Y CA -0.980 57.038 58.100 -0.136 0.000 1.020 145 Y CB 0.811 39.211 38.460 -0.099 0.000 1.301 145 Y HN 0.613 nan 8.280 nan 0.000 0.453 146 G N 2.635 111.427 108.800 -0.013 0.000 3.234 146 G HA2 0.668 4.628 3.960 -0.001 0.000 0.159 146 G HA3 0.668 4.628 3.960 -0.001 0.000 0.159 146 G C -0.853 174.155 174.900 0.181 0.000 1.175 146 G CA -0.686 44.368 45.100 -0.076 0.000 0.900 146 G HN 1.096 nan 8.290 nan 0.000 0.621 147 I N -2.034 118.764 120.570 0.379 0.000 2.957 147 I HA 0.524 4.694 4.170 -0.001 0.000 0.310 147 I C -0.883 175.309 176.117 0.125 0.000 1.063 147 I CA -0.976 60.407 61.300 0.138 0.000 1.033 147 I CB 2.104 40.139 38.000 0.058 0.000 1.230 147 I HN 0.215 nan 8.210 nan 0.000 0.447 148 D N 2.034 122.484 120.400 0.083 0.000 2.278 148 D HA 0.077 4.716 4.640 -0.001 0.000 0.240 148 D C 0.985 177.329 176.300 0.073 0.000 1.347 148 D CA 0.452 54.500 54.000 0.080 0.000 0.945 148 D CB 0.726 41.583 40.800 0.095 0.000 1.175 148 D HN 0.754 nan 8.370 nan 0.000 0.519 149 A N -0.529 122.328 122.820 0.062 0.000 2.218 149 A HA -0.039 4.280 4.320 -0.001 0.000 0.209 149 A C 1.737 179.354 177.584 0.056 0.000 1.168 149 A CA 1.167 53.231 52.037 0.045 0.000 0.804 149 A CB -0.381 18.640 19.000 0.036 0.000 0.834 149 A HN 0.583 nan 8.150 nan 0.000 0.482 150 T N -4.891 109.720 114.554 0.094 0.000 3.067 150 T HA 0.371 4.721 4.350 -0.001 0.000 0.257 150 T C 1.429 176.276 174.700 0.245 0.000 1.105 150 T CA 1.211 63.401 62.100 0.151 0.000 1.104 150 T CB 0.069 69.028 68.868 0.152 0.000 0.925 150 T HN 1.534 nan 8.240 nan 0.000 0.498 151 G N 0.803 109.689 108.800 0.144 0.000 2.159 151 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.227 151 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.227 151 G C -0.234 174.577 174.900 -0.148 0.000 0.986 151 G CA 0.034 45.122 45.100 -0.020 0.000 0.651 151 G HN 0.790 nan 8.290 nan 0.000 0.523 152 H N -0.789 118.350 119.070 0.115 0.000 2.771 152 H HA 0.695 5.251 4.556 -0.001 0.000 0.367 152 H C 0.713 176.029 175.328 -0.019 0.000 1.172 152 H CA -0.930 55.214 56.048 0.159 0.000 1.186 152 H CB 0.942 30.786 29.762 0.137 0.000 1.790 152 H HN 0.202 nan 8.280 nan 0.000 0.556 153 I N 1.017 121.549 120.570 -0.064 0.000 2.648 153 I HA -0.015 4.154 4.170 -0.001 0.000 0.284 153 I C 0.115 176.005 176.117 -0.378 0.000 1.153 153 I CA 0.276 61.367 61.300 -0.348 0.000 1.426 153 I CB 0.247 37.837 38.000 -0.684 0.000 1.381 153 I HN 0.559 nan 8.210 nan 0.000 0.571 154 D N 5.564 125.786 120.400 -0.296 0.000 2.456 154 D HA 0.154 4.794 4.640 -0.001 0.000 0.219 154 D C 0.505 176.662 176.300 -0.238 0.000 1.126 154 D CA -0.279 53.619 54.000 -0.171 0.000 0.890 154 D CB 0.363 41.126 40.800 -0.061 0.000 1.025 154 D HN 0.320 nan 8.370 nan 0.000 0.511 155 Y N 2.317 122.573 120.300 -0.073 0.000 2.483 155 Y HA -0.086 4.464 4.550 -0.001 0.000 0.291 155 Y C 2.276 178.136 175.900 -0.067 0.000 1.143 155 Y CA 0.869 58.914 58.100 -0.091 0.000 1.289 155 Y CB -0.206 38.207 38.460 -0.079 0.000 0.983 155 Y HN 0.536 nan 8.280 nan 0.000 0.556 156 A N -0.105 122.754 122.820 0.065 0.000 1.898 156 A HA -0.175 4.144 4.320 -0.001 0.000 0.214 156 A C 1.836 179.423 177.584 0.004 0.000 1.183 156 A CA 1.764 53.822 52.037 0.035 0.000 0.622 156 A CB -0.661 18.356 19.000 0.029 0.000 0.824 156 A HN 0.407 nan 8.150 nan 0.000 0.444 157 D N -0.735 119.653 120.400 -0.020 0.000 2.149 157 D HA -0.112 4.528 4.640 -0.001 0.000 0.201 157 D C 1.772 178.049 176.300 -0.038 0.000 0.972 157 D CA 0.985 54.971 54.000 -0.022 0.000 0.835 157 D CB -0.135 40.651 40.800 -0.024 0.000 0.966 157 D HN 0.215 nan 8.370 nan 0.000 0.476 158 L N 1.002 122.164 121.223 -0.101 0.000 2.012 158 L HA -0.128 4.212 4.340 -0.001 0.000 0.210 158 L C 2.095 178.934 176.870 -0.052 0.000 1.073 158 L CA 1.931 56.681 54.840 -0.151 0.000 0.748 158 L CB -0.681 41.193 42.059 -0.309 0.000 0.891 158 L HN 0.110 nan 8.230 nan 0.000 0.431 159 E N -0.562 119.628 120.200 -0.018 0.000 2.077 159 E HA -0.277 4.073 4.350 -0.001 0.000 0.193 159 E C 2.254 178.862 176.600 0.013 0.000 0.989 159 E CA 1.776 58.182 56.400 0.010 0.000 0.800 159 E CB -0.035 29.678 29.700 0.022 0.000 0.746 159 E HN 0.559 nan 8.360 nan 0.000 0.452 160 K N 0.857 121.263 120.400 0.010 0.000 2.002 160 K HA -0.229 4.091 4.320 -0.001 0.000 0.209 160 K C 1.922 178.537 176.600 0.025 0.000 1.048 160 K CA 1.845 58.138 56.287 0.010 0.000 0.930 160 K CB -1.087 31.418 32.500 0.008 0.000 0.714 160 K HN 0.276 nan 8.250 nan 0.000 0.438 161 Q N -0.664 119.170 119.800 0.058 0.000 2.096 161 Q HA -0.100 4.240 4.340 -0.001 0.000 0.204 161 Q C 2.588 178.687 176.000 0.165 0.000 0.982 161 Q CA 1.493 57.389 55.803 0.154 0.000 0.850 161 Q CB -0.360 28.473 28.738 0.158 0.000 0.901 161 Q HN 0.671 nan 8.270 nan 0.000 0.422 162 A N 1.320 124.196 122.820 0.092 0.000 1.877 162 A HA -0.216 4.103 4.320 -0.001 0.000 0.216 162 A C 2.287 179.905 177.584 0.058 0.000 1.186 162 A CA 2.210 54.296 52.037 0.082 0.000 0.620 162 A CB -0.909 18.122 19.000 0.051 0.000 0.822 162 A HN 0.365 nan 8.150 nan 0.000 0.443 163 K N 0.001 120.418 120.400 0.028 0.000 2.217 163 K HA -0.038 4.281 4.320 -0.001 0.000 0.202 163 K C 1.790 178.376 176.600 -0.024 0.000 1.051 163 K CA 1.737 58.027 56.287 0.004 0.000 0.952 163 K CB -0.568 31.931 32.500 -0.002 0.000 0.736 163 K HN 0.779 nan 8.250 nan 0.000 0.453 164 E N -1.036 119.129 120.200 -0.058 0.000 2.140 164 E HA -0.083 4.267 4.350 -0.001 0.000 0.191 164 E C 1.565 178.012 176.600 -0.254 0.000 0.973 164 E CA 0.346 56.638 56.400 -0.179 0.000 0.829 164 E CB 0.161 29.695 29.700 -0.277 0.000 0.781 164 E HN 0.762 nan 8.360 nan 0.000 0.466 165 H N -0.344 118.739 119.070 0.021 0.000 2.592 165 H HA 0.111 4.667 4.556 -0.001 0.000 0.265 165 H C 0.478 175.822 175.328 0.026 0.000 0.955 165 H CA 0.993 57.057 56.048 0.027 0.000 1.175 165 H CB 0.660 30.444 29.762 0.036 0.000 1.433 165 H HN 0.090 nan 8.280 nan 0.000 0.537 166 K N 1.703 122.168 120.400 0.108 0.000 4.040 166 K HA -0.131 4.189 4.320 -0.001 0.000 0.279 166 K C -2.596 174.051 176.600 0.078 0.000 0.890 166 K CA 0.794 57.121 56.287 0.067 0.000 0.782 166 K CB -2.681 29.841 32.500 0.037 0.000 1.613 166 K HN 0.412 nan 8.250 nan 0.000 0.440 167 P HA 0.333 nan 4.420 nan 0.000 0.275 167 P C 0.883 178.213 177.300 0.050 0.000 1.228 167 P CA 0.476 63.625 63.100 0.081 0.000 0.786 167 P CB 1.322 33.077 31.700 0.092 0.000 0.927 168 K N 2.143 122.573 120.400 0.050 0.000 2.366 168 K HA 0.092 4.412 4.320 -0.001 0.000 0.198 168 K C 1.201 177.837 176.600 0.059 0.000 1.044 168 K CA 1.021 57.327 56.287 0.031 0.000 0.973 168 K CB -0.118 32.415 32.500 0.055 0.000 0.767 168 K HN 0.711 nan 8.250 nan 0.000 0.475 169 M N -0.296 119.350 119.600 0.077 0.000 2.413 169 M HA 0.555 5.035 4.480 -0.001 0.000 0.287 169 M C -2.108 174.255 176.300 0.104 0.000 1.186 169 M CA -0.774 54.590 55.300 0.108 0.000 0.927 169 M CB 1.999 34.640 32.600 0.068 0.000 1.715 169 M HN 0.043 nan 8.290 nan 0.000 0.478 170 I N 4.983 125.632 120.570 0.131 0.000 2.433 170 I HA 0.449 4.619 4.170 -0.001 0.000 0.292 170 I C -0.863 175.333 176.117 0.132 0.000 1.001 170 I CA -0.778 60.606 61.300 0.140 0.000 1.119 170 I CB 2.036 40.117 38.000 0.135 0.000 1.289 170 I HN 0.643 nan 8.210 nan 0.000 0.438 171 I N 5.105 125.736 120.570 0.101 0.000 2.336 171 I HA 0.453 4.623 4.170 -0.001 0.000 0.292 171 I C 0.547 176.657 176.117 -0.011 0.000 0.991 171 I CA -0.336 60.915 61.300 -0.082 0.000 1.227 171 I CB 1.583 39.434 38.000 -0.248 0.000 1.366 171 I HN 0.605 nan 8.210 nan 0.000 0.466 172 G N 3.602 112.358 108.800 -0.073 0.000 2.416 172 G HA2 0.771 4.730 3.960 -0.001 0.000 0.324 172 G HA3 0.771 4.730 3.960 -0.001 0.000 0.324 172 G C -0.403 174.519 174.900 0.036 0.000 1.194 172 G CA -0.623 44.593 45.100 0.194 0.000 0.922 172 G HN 0.983 nan 8.290 nan 0.000 0.467 173 G N 0.004 108.948 108.800 0.240 0.000 2.361 173 G HA2 0.601 4.560 3.960 -0.001 0.000 0.305 173 G HA3 0.601 4.560 3.960 -0.001 0.000 0.305 173 G C -1.095 173.969 174.900 0.273 0.000 1.367 173 G CA -0.152 44.995 45.100 0.080 0.000 0.951 173 G HN 1.838 nan 8.290 nan 0.000 0.615 174 F N -2.764 117.366 119.950 0.300 0.000 2.807 174 F HA 0.825 5.352 4.527 -0.001 0.000 0.316 174 F C 0.369 176.230 175.800 0.102 0.000 1.162 174 F CA -0.419 57.722 58.000 0.235 0.000 0.910 174 F CB 1.009 40.136 39.000 0.212 0.000 1.314 174 F HN 0.453 nan 8.300 nan 0.000 0.454 175 S N -0.378 115.467 115.700 0.241 0.000 2.554 175 S HA 0.561 5.031 4.470 -0.001 0.000 0.227 175 S C 0.611 175.092 174.600 -0.198 0.000 1.050 175 S CA 0.475 58.626 58.200 -0.083 0.000 0.927 175 S CB 0.916 64.191 63.200 0.125 0.000 0.859 175 S HN 1.003 nan 8.310 nan 0.000 0.494 176 A N 0.790 123.650 122.820 0.068 0.000 2.843 176 A HA 0.518 4.838 4.320 -0.001 0.000 0.248 176 A C -0.818 176.770 177.584 0.007 0.000 0.904 176 A CA -0.260 51.766 52.037 -0.019 0.000 1.091 176 A CB 0.078 19.061 19.000 -0.028 0.000 1.208 176 A HN 0.330 nan 8.150 nan 0.000 0.476 177 Y N 1.039 121.202 120.300 -0.228 0.000 2.352 177 Y HA 0.476 5.026 4.550 -0.001 0.000 0.339 177 Y C 1.047 176.595 175.900 -0.586 0.000 0.992 177 Y CA -0.660 57.135 58.100 -0.508 0.000 1.100 177 Y CB 2.069 40.054 38.460 -0.793 0.000 1.192 177 Y HN 0.225 nan 8.280 nan 0.000 0.458 178 S N 2.184 117.365 115.700 -0.866 0.000 2.556 178 S HA 0.337 4.806 4.470 -0.001 0.000 0.216 178 S C 0.807 174.963 174.600 -0.740 0.000 0.970 178 S CA 0.122 57.942 58.200 -0.633 0.000 0.912 178 S CB -0.268 62.722 63.200 -0.350 0.000 0.790 178 S HN 0.834 nan 8.310 nan 0.000 0.504 179 G N 0.886 108.787 108.800 -1.498 0.000 2.510 179 G HA2 0.545 4.504 3.960 -0.001 0.000 0.280 179 G HA3 0.545 4.504 3.960 -0.001 0.000 0.280 179 G C -0.926 173.807 174.900 -0.279 0.000 1.386 179 G CA -0.575 44.026 45.100 -0.832 0.000 1.047 179 G HN 0.285 nan 8.290 nan 0.000 0.527 180 V N -0.125 119.749 119.914 -0.067 0.000 2.435 180 V HA 0.378 4.498 4.120 -0.001 0.000 0.290 180 V C -0.036 176.027 176.094 -0.051 0.000 1.030 180 V CA -0.565 61.647 62.300 -0.146 0.000 0.881 180 V CB 1.477 33.116 31.823 -0.307 0.000 0.983 180 V HN 0.429 nan 8.190 nan 0.000 0.445 181 V N 3.356 123.152 119.914 -0.197 0.000 2.481 181 V HA 0.299 4.418 4.120 -0.001 0.000 0.286 181 V C 0.224 175.888 176.094 -0.716 0.000 1.042 181 V CA -0.559 61.528 62.300 -0.355 0.000 0.928 181 V CB 1.755 33.222 31.823 -0.594 0.000 0.986 181 V HN 0.857 nan 8.190 nan 0.000 0.462 182 D N 3.455 123.636 120.400 -0.364 0.000 2.435 182 D HA 0.103 4.743 4.640 -0.001 0.000 0.230 182 D C 0.699 176.857 176.300 -0.238 0.000 1.215 182 D CA -0.106 53.629 54.000 -0.441 0.000 0.947 182 D CB 0.381 40.790 40.800 -0.652 0.000 1.048 182 D HN 0.600 nan 8.370 nan 0.000 0.512 183 W N 2.820 124.071 121.300 -0.081 0.000 2.358 183 W HA -0.189 4.471 4.660 -0.001 0.000 0.303 183 W C 2.421 178.827 176.519 -0.189 0.000 1.208 183 W CA 0.460 57.764 57.345 -0.068 0.000 1.274 183 W CB -0.168 29.276 29.460 -0.028 0.000 1.138 183 W HN 0.476 nan 8.180 nan 0.000 0.515 184 A N 0.739 123.409 122.820 -0.250 0.000 1.933 184 A HA -0.249 4.071 4.320 -0.001 0.000 0.218 184 A C 1.877 179.424 177.584 -0.062 0.000 1.175 184 A CA 2.141 54.035 52.037 -0.239 0.000 0.628 184 A CB -0.709 18.095 19.000 -0.327 0.000 0.814 184 A HN 0.165 nan 8.150 nan 0.000 0.444 185 K N -0.322 120.001 120.400 -0.129 0.000 2.097 185 K HA 0.042 4.361 4.320 -0.001 0.000 0.205 185 K C 1.870 178.473 176.600 0.006 0.000 1.050 185 K CA 1.683 57.892 56.287 -0.132 0.000 0.938 185 K CB -0.399 31.869 32.500 -0.387 0.000 0.718 185 K HN 0.513 nan 8.250 nan 0.000 0.442 186 M N -0.332 119.324 119.600 0.093 0.000 2.254 186 M HA -0.065 4.414 4.480 -0.001 0.000 0.265 186 M C 2.053 178.444 176.300 0.152 0.000 1.066 186 M CA 1.210 56.612 55.300 0.170 0.000 1.123 186 M CB -0.077 32.682 32.600 0.265 0.000 1.388 186 M HN -0.009 nan 8.290 nan 0.000 0.425 187 R N 1.036 121.628 120.500 0.153 0.000 2.092 187 R HA -0.071 4.269 4.340 -0.001 0.000 0.231 187 R C 1.600 177.964 176.300 0.108 0.000 1.119 187 R CA 1.621 57.809 56.100 0.147 0.000 0.970 187 R CB -0.444 29.950 30.300 0.156 0.000 0.864 187 R HN 0.393 nan 8.270 nan 0.000 0.440 188 E N -0.027 120.218 120.200 0.076 0.000 2.038 188 E HA -0.190 4.159 4.350 -0.001 0.000 0.195 188 E C 2.001 178.634 176.600 0.055 0.000 1.000 188 E CA 1.829 58.260 56.400 0.052 0.000 0.803 188 E CB -0.235 29.479 29.700 0.023 0.000 0.750 188 E HN 0.342 nan 8.360 nan 0.000 0.448 189 I N 1.070 121.676 120.570 0.060 0.000 2.208 189 I HA -0.314 3.855 4.170 -0.001 0.000 0.245 189 I C 2.586 178.740 176.117 0.063 0.000 1.097 189 I CA 1.049 62.383 61.300 0.056 0.000 1.363 189 I CB -0.422 37.615 38.000 0.061 0.000 1.051 189 I HN 0.106 nan 8.210 nan 0.000 0.413 190 A N 0.659 123.533 122.820 0.091 0.000 1.858 190 A HA -0.247 4.072 4.320 -0.001 0.000 0.216 190 A C 1.968 179.596 177.584 0.072 0.000 1.190 190 A CA 2.131 54.227 52.037 0.099 0.000 0.617 190 A CB -0.668 18.439 19.000 0.178 0.000 0.827 190 A HN 0.335 nan 8.150 nan 0.000 0.443 191 D N 0.214 120.665 120.400 0.086 0.000 2.149 191 D HA -0.146 4.494 4.640 -0.001 0.000 0.198 191 D C 2.417 178.733 176.300 0.027 0.000 0.990 191 D CA 1.790 55.826 54.000 0.060 0.000 0.839 191 D CB -0.383 40.453 40.800 0.060 0.000 0.948 191 D HN 0.596 nan 8.370 nan 0.000 0.460 192 S N 0.382 116.098 115.700 0.027 0.000 2.419 192 S HA -0.137 4.332 4.470 -0.001 0.000 0.233 192 S C 1.889 176.492 174.600 0.005 0.000 1.016 192 S CA 0.818 59.026 58.200 0.015 0.000 0.974 192 S CB -0.567 62.643 63.200 0.017 0.000 0.786 192 S HN 0.567 nan 8.310 nan 0.000 0.492 193 I N -3.387 117.185 120.570 0.003 0.000 4.009 193 I HA 0.605 4.774 4.170 -0.001 0.000 0.331 193 I C 1.023 177.119 176.117 -0.035 0.000 1.462 193 I CA -0.165 61.130 61.300 -0.008 0.000 1.117 193 I CB -0.173 37.830 38.000 0.004 0.000 1.091 193 I HN 0.249 nan 8.210 nan 0.000 0.410 194 G N 2.074 110.847 108.800 -0.045 0.000 2.273 194 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.280 194 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.280 194 G C 0.264 175.048 174.900 -0.193 0.000 1.047 194 G CA 0.293 45.332 45.100 -0.102 0.000 0.869 194 G HN 0.944 nan 8.290 nan 0.000 0.502 195 A N -0.912 121.823 122.820 -0.142 0.000 2.256 195 A HA 0.848 5.168 4.320 -0.001 0.000 0.318 195 A C -0.258 177.161 177.584 -0.275 0.000 1.103 195 A CA -0.738 51.189 52.037 -0.184 0.000 0.860 195 A CB 0.820 19.801 19.000 -0.031 0.000 1.182 195 A HN 0.557 nan 8.150 nan 0.000 0.501 196 Y N -0.517 119.670 120.300 -0.187 0.000 2.308 196 Y HA 0.447 4.997 4.550 -0.001 0.000 0.329 196 Y C 0.050 175.949 175.900 -0.002 0.000 1.111 196 Y CA -0.362 57.516 58.100 -0.370 0.000 1.179 196 Y CB 1.455 39.726 38.460 -0.314 0.000 1.201 196 Y HN 0.472 nan 8.280 nan 0.000 0.483 197 L N 5.997 127.522 121.223 0.504 0.000 2.264 197 L HA 0.414 4.754 4.340 -0.001 0.000 0.287 197 L C -1.464 175.625 176.870 0.365 0.000 1.039 197 L CA -0.536 54.542 54.840 0.397 0.000 0.829 197 L CB -0.241 42.028 42.059 0.351 0.000 1.211 197 L HN 0.423 nan 8.230 nan 0.000 0.427 198 F N 6.492 126.477 119.950 0.059 0.000 2.404 198 F HA 0.631 5.158 4.527 -0.001 0.000 0.354 198 F C -1.010 174.743 175.800 -0.078 0.000 1.122 198 F CA -1.063 56.906 58.000 -0.052 0.000 1.080 198 F CB 1.168 40.070 39.000 -0.163 0.000 1.131 198 F HN 0.152 nan 8.300 nan 0.000 0.471 199 V N 6.038 125.800 119.914 -0.254 0.000 2.448 199 V HA 0.248 4.368 4.120 -0.001 0.000 0.295 199 V C -0.841 174.911 176.094 -0.570 0.000 1.025 199 V CA -0.748 61.239 62.300 -0.523 0.000 0.859 199 V CB 1.582 33.062 31.823 -0.573 0.000 0.988 199 V HN 0.653 nan 8.190 nan 0.000 0.431 200 D N 5.673 125.699 120.400 -0.624 0.000 2.454 200 D HA 0.323 4.962 4.640 -0.001 0.000 0.225 200 D C 0.510 176.648 176.300 -0.271 0.000 1.081 200 D CA -0.509 53.280 54.000 -0.351 0.000 0.864 200 D CB 1.340 42.007 40.800 -0.221 0.000 1.040 200 D HN 0.595 nan 8.370 nan 0.000 0.517 201 M N 1.896 121.341 119.600 -0.259 0.000 2.637 201 M HA 0.449 4.929 4.480 -0.001 0.000 0.286 201 M C 1.257 177.428 176.300 -0.214 0.000 1.246 201 M CA -0.567 54.584 55.300 -0.248 0.000 0.978 201 M CB 0.960 33.422 32.600 -0.230 0.000 1.417 201 M HN 0.128 nan 8.290 nan 0.000 0.487 202 A N 0.898 123.603 122.820 -0.191 0.000 1.896 202 A HA -0.254 4.066 4.320 -0.001 0.000 0.220 202 A C 1.812 179.257 177.584 -0.232 0.000 1.206 202 A CA 2.497 54.414 52.037 -0.201 0.000 0.647 202 A CB -1.255 17.624 19.000 -0.201 0.000 0.828 202 A HN 0.748 nan 8.150 nan 0.000 0.455 203 H N -1.145 117.778 119.070 -0.245 0.000 2.389 203 H HA -0.011 4.545 4.556 -0.001 0.000 0.299 203 H C 1.793 176.936 175.328 -0.309 0.000 1.081 203 H CA 1.968 57.902 56.048 -0.190 0.000 1.345 203 H CB 0.080 29.857 29.762 0.025 0.000 1.393 203 H HN 0.436 nan 8.280 nan 0.000 0.520 204 V N -2.678 117.134 119.914 -0.171 0.000 3.376 204 V HA 0.449 4.568 4.120 -0.001 0.000 0.313 204 V C 1.948 177.990 176.094 -0.086 0.000 1.393 204 V CA 0.493 62.659 62.300 -0.225 0.000 1.125 204 V CB -0.050 31.484 31.823 -0.482 0.000 1.037 204 V HN 0.362 nan 8.190 nan 0.000 0.440 205 A N 1.945 124.733 122.820 -0.053 0.000 1.908 205 A HA -0.006 4.314 4.320 -0.001 0.000 0.218 205 A C 2.288 180.037 177.584 0.274 0.000 1.181 205 A CA 2.249 54.353 52.037 0.112 0.000 0.627 205 A CB -1.232 17.791 19.000 0.038 0.000 0.818 205 A HN 0.735 nan 8.150 nan 0.000 0.445 206 G N -0.182 108.710 108.800 0.153 0.000 2.421 206 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.216 206 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.216 206 G C 1.536 176.530 174.900 0.157 0.000 1.171 206 G CA 0.989 46.236 45.100 0.244 0.000 0.775 206 G HN 0.435 nan 8.290 nan 0.000 0.543 207 L N 0.364 121.614 121.223 0.045 0.000 2.042 207 L HA -0.106 4.234 4.340 -0.001 0.000 0.210 207 L C 2.995 179.981 176.870 0.195 0.000 1.076 207 L CA 0.611 55.494 54.840 0.073 0.000 0.749 207 L CB -0.709 41.404 42.059 0.089 0.000 0.893 207 L HN 0.095 nan 8.230 nan 0.000 0.432 208 V N 0.316 120.389 119.914 0.265 0.000 2.295 208 V HA -0.274 3.846 4.120 -0.001 0.000 0.246 208 V C 2.853 179.108 176.094 0.268 0.000 1.049 208 V CA 1.743 64.251 62.300 0.346 0.000 1.024 208 V CB -0.940 31.143 31.823 0.433 0.000 0.648 208 V HN 0.474 nan 8.190 nan 0.000 0.447 209 A N 0.197 123.164 122.820 0.245 0.000 1.917 209 A HA -0.196 4.124 4.320 -0.001 0.000 0.219 209 A C 2.302 179.963 177.584 0.128 0.000 1.182 209 A CA 2.345 54.402 52.037 0.033 0.000 0.633 209 A CB -0.750 18.298 19.000 0.079 0.000 0.819 209 A HN 0.630 nan 8.150 nan 0.000 0.448 210 A N -2.246 120.691 122.820 0.195 0.000 2.167 210 A HA 0.397 4.717 4.320 -0.001 0.000 0.214 210 A C 1.857 179.502 177.584 0.102 0.000 1.151 210 A CA 1.282 53.403 52.037 0.139 0.000 0.735 210 A CB -0.860 18.153 19.000 0.021 0.000 0.802 210 A HN 2.013 nan 8.150 nan 0.000 0.467 211 G N -1.948 106.928 108.800 0.127 0.000 2.132 211 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.234 211 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.234 211 G C 0.620 175.594 174.900 0.124 0.000 0.989 211 G CA 0.342 45.517 45.100 0.126 0.000 0.676 211 G HN 0.714 nan 8.290 nan 0.000 0.522 212 V N -0.984 119.013 119.914 0.138 0.000 3.608 212 V HA 0.382 4.502 4.120 -0.001 0.000 0.269 212 V C 0.499 176.724 176.094 0.218 0.000 1.245 212 V CA 1.230 63.609 62.300 0.130 0.000 1.138 212 V CB -0.250 31.623 31.823 0.083 0.000 0.841 212 V HN 0.518 nan 8.190 nan 0.000 0.451 213 Y N -0.081 120.296 120.300 0.127 0.000 2.504 213 Y HA 0.539 5.089 4.550 -0.001 0.000 0.344 213 Y C -2.797 173.240 175.900 0.229 0.000 1.023 213 Y CA -2.921 55.282 58.100 0.171 0.000 1.020 213 Y CB 2.155 40.744 38.460 0.215 0.000 1.282 213 Y HN -0.032 nan 8.280 nan 0.000 0.454 214 P HA -0.044 nan 4.420 nan 0.000 0.260 214 P C -0.953 176.752 177.300 0.674 0.000 1.172 214 P CA 0.469 63.747 63.100 0.296 0.000 0.760 214 P CB 0.345 32.063 31.700 0.029 0.000 0.773 215 N N 5.298 124.294 118.700 0.493 0.000 2.458 215 N HA 0.085 4.825 4.740 -0.001 0.000 0.270 215 N C -1.535 174.179 175.510 0.339 0.000 1.102 215 N CA -2.160 51.133 53.050 0.405 0.000 0.967 215 N CB 0.607 39.274 38.487 0.299 0.000 1.078 215 N HN 0.239 nan 8.380 nan 0.000 0.471 216 P HA -0.005 nan 4.420 nan 0.000 0.239 216 P C 1.249 178.441 177.300 -0.181 0.000 1.188 216 P CA 0.203 62.972 63.100 -0.552 0.000 0.794 216 P CB 0.576 31.337 31.700 -1.566 0.000 0.937 217 V N 3.051 122.912 119.914 -0.089 0.000 2.317 217 V HA -0.145 3.974 4.120 -0.001 0.000 0.251 217 V C -0.088 175.967 176.094 -0.065 0.000 1.065 217 V CA 2.632 64.899 62.300 -0.056 0.000 1.049 217 V CB -2.626 29.206 31.823 0.016 0.000 0.651 217 V HN 0.271 nan 8.190 nan 0.000 0.450 218 P HA -0.042 nan 4.420 nan 0.000 0.249 218 P C 0.627 177.610 177.300 -0.528 0.000 1.241 218 P CA 1.265 64.191 63.100 -0.290 0.000 0.781 218 P CB -0.011 31.499 31.700 -0.318 0.000 1.088 219 H N -1.476 117.590 119.070 -0.006 0.000 3.205 219 H HA 0.380 4.935 4.556 -0.001 0.000 0.252 219 H C 0.778 176.072 175.328 -0.055 0.000 1.015 219 H CA -0.086 55.963 56.048 0.003 0.000 1.192 219 H CB 0.773 30.599 29.762 0.107 0.000 1.474 219 H HN 0.076 nan 8.280 nan 0.000 0.484 220 A N 0.640 123.467 122.820 0.013 0.000 2.295 220 A HA 0.344 4.663 4.320 -0.001 0.000 0.318 220 A C 0.212 177.778 177.584 -0.031 0.000 1.134 220 A CA -0.435 51.606 52.037 0.007 0.000 0.827 220 A CB 0.712 19.707 19.000 -0.008 0.000 1.136 220 A HN 0.256 nan 8.150 nan 0.000 0.493 221 H N 0.093 119.224 119.070 0.102 0.000 2.428 221 H HA 0.187 4.742 4.556 -0.001 0.000 0.296 221 H C -0.032 175.326 175.328 0.051 0.000 1.062 221 H CA 1.805 57.911 56.048 0.097 0.000 1.350 221 H CB 0.034 29.899 29.762 0.173 0.000 1.403 221 H HN 0.272 nan 8.280 nan 0.000 0.533 222 V N 0.362 120.381 119.914 0.175 0.000 2.932 222 V HA 0.372 4.492 4.120 -0.001 0.000 0.307 222 V C -0.883 175.308 176.094 0.163 0.000 1.147 222 V CA -0.986 61.372 62.300 0.096 0.000 0.951 222 V CB 2.859 34.654 31.823 -0.047 0.000 1.031 222 V HN -0.134 nan 8.190 nan 0.000 0.426 223 V N 2.397 122.367 119.914 0.093 0.000 2.735 223 V HA 0.860 4.980 4.120 -0.001 0.000 0.310 223 V C 0.014 176.151 176.094 0.072 0.000 1.061 223 V CA -0.365 61.964 62.300 0.047 0.000 0.913 223 V CB 2.418 34.168 31.823 -0.121 0.000 1.005 223 V HN 1.099 nan 8.190 nan 0.000 0.428 224 T N -0.482 114.136 114.554 0.107 0.000 2.916 224 T HA 0.865 5.215 4.350 -0.001 0.000 0.292 224 T C -0.552 174.119 174.700 -0.047 0.000 1.064 224 T CA -0.768 61.384 62.100 0.087 0.000 1.011 224 T CB 2.181 71.210 68.868 0.267 0.000 1.152 224 T HN 0.869 nan 8.240 nan 0.000 0.510 225 T N 0.490 115.007 114.554 -0.062 0.000 2.827 225 T HA 0.617 4.967 4.350 -0.001 0.000 0.328 225 T C -0.628 174.029 174.700 -0.071 0.000 1.598 225 T CA -0.215 61.815 62.100 -0.117 0.000 1.043 225 T CB 1.407 70.145 68.868 -0.217 0.000 1.447 225 T HN 1.256 nan 8.240 nan 0.000 0.491 226 T N -0.316 114.171 114.554 -0.112 0.000 2.897 226 T HA 0.544 4.894 4.350 -0.001 0.000 0.278 226 T C 1.244 175.904 174.700 -0.066 0.000 0.981 226 T CA 0.208 62.263 62.100 -0.076 0.000 0.973 226 T CB 1.081 69.775 68.868 -0.290 0.000 1.092 226 T HN 0.789 nan 8.240 nan 0.000 0.543 227 T N -2.487 112.103 114.554 0.060 0.000 3.044 227 T HA 0.096 4.445 4.350 -0.001 0.000 0.260 227 T C 1.153 175.904 174.700 0.084 0.000 1.019 227 T CA -0.019 62.121 62.100 0.067 0.000 0.921 227 T CB -0.395 68.525 68.868 0.086 0.000 1.053 227 T HN 0.910 nan 8.240 nan 0.000 0.533 228 H N -0.017 119.040 119.070 -0.022 0.000 2.549 228 H HA 0.498 5.053 4.556 -0.001 0.000 0.279 228 H C 0.734 176.030 175.328 -0.052 0.000 1.018 228 H CA -0.531 55.503 56.048 -0.024 0.000 1.175 228 H CB 0.292 30.039 29.762 -0.025 0.000 1.485 228 H HN 0.267 nan 8.280 nan 0.000 0.543 229 K N 0.957 121.167 120.400 -0.317 0.000 4.047 229 K HA 0.069 4.389 4.320 -0.001 0.000 0.172 229 K C 1.880 178.386 176.600 -0.157 0.000 1.146 229 K CA 0.714 56.819 56.287 -0.304 0.000 1.760 229 K CB -0.158 32.047 32.500 -0.491 0.000 2.442 229 K HN 0.152 nan 8.250 nan 0.000 0.539 230 T N 0.428 114.859 114.554 -0.205 0.000 3.007 230 T HA -0.084 4.266 4.350 -0.001 0.000 0.270 230 T C 1.752 176.523 174.700 0.119 0.000 1.107 230 T CA 0.691 62.728 62.100 -0.105 0.000 1.118 230 T CB -0.073 68.638 68.868 -0.262 0.000 0.889 230 T HN 0.065 nan 8.240 nan 0.000 0.506 231 L N 1.253 122.545 121.223 0.114 0.000 2.376 231 L HA 0.438 4.778 4.340 -0.001 0.000 0.219 231 L C 1.931 178.943 176.870 0.237 0.000 1.133 231 L CA 0.622 55.607 54.840 0.241 0.000 0.816 231 L CB -1.368 40.776 42.059 0.142 0.000 0.933 231 L HN 0.595 nan 8.230 nan 0.000 0.449 232 A N -1.634 121.287 122.820 0.169 0.000 2.826 232 A HA -0.124 4.196 4.320 -0.001 0.000 0.274 232 A C 1.119 178.769 177.584 0.110 0.000 1.443 232 A CA 0.835 52.960 52.037 0.148 0.000 0.833 232 A CB -2.419 16.707 19.000 0.209 0.000 1.023 232 A HN 0.573 nan 8.150 nan 0.000 0.600 233 G N -0.889 107.967 108.800 0.093 0.000 2.736 233 G HA2 0.732 4.692 3.960 -0.001 0.000 0.229 233 G HA3 0.732 4.692 3.960 -0.001 0.000 0.229 233 G C -2.281 172.675 174.900 0.093 0.000 1.380 233 G CA -0.680 44.464 45.100 0.074 0.000 1.040 233 G HN 0.408 nan 8.290 nan 0.000 0.568 234 P HA 0.215 nan 4.420 nan 0.000 0.274 234 P C -0.752 176.575 177.300 0.045 0.000 1.256 234 P CA -0.384 62.736 63.100 0.033 0.000 0.795 234 P CB 0.960 32.654 31.700 -0.011 0.000 1.038 235 R N 0.564 121.007 120.500 -0.095 0.000 2.296 235 R HA 0.585 4.925 4.340 -0.001 0.000 0.323 235 R C 0.737 176.950 176.300 -0.144 0.000 1.067 235 R CA 0.059 55.934 56.100 -0.376 0.000 0.946 235 R CB -0.078 29.900 30.300 -0.538 0.000 0.991 235 R HN 0.744 nan 8.270 nan 0.000 0.448 236 G N 0.770 109.601 108.800 0.052 0.000 2.451 236 G HA2 0.476 4.436 3.960 -0.001 0.000 0.292 236 G HA3 0.476 4.436 3.960 -0.001 0.000 0.292 236 G C -1.278 173.705 174.900 0.137 0.000 1.427 236 G CA -0.546 44.598 45.100 0.073 0.000 0.792 236 G HN 0.624 nan 8.290 nan 0.000 0.498 237 G N -1.595 107.257 108.800 0.086 0.000 2.537 237 G HA2 0.811 4.771 3.960 -0.001 0.000 0.323 237 G HA3 0.811 4.771 3.960 -0.001 0.000 0.323 237 G C -1.694 173.228 174.900 0.037 0.000 1.207 237 G CA -0.686 44.459 45.100 0.076 0.000 0.976 237 G HN 1.340 nan 8.290 nan 0.000 0.487 238 L N -0.379 120.858 121.223 0.023 0.000 2.549 238 L HA 0.609 4.949 4.340 -0.001 0.000 0.259 238 L C -1.269 175.596 176.870 -0.009 0.000 0.934 238 L CA -0.543 54.292 54.840 -0.008 0.000 0.865 238 L CB 1.980 44.019 42.059 -0.033 0.000 1.352 238 L HN 0.494 nan 8.230 nan 0.000 0.410 239 I N 5.220 125.789 120.570 -0.003 0.000 2.433 239 I HA 0.572 4.741 4.170 -0.001 0.000 0.292 239 I C -0.863 175.261 176.117 0.011 0.000 1.001 239 I CA -0.575 60.748 61.300 0.037 0.000 1.119 239 I CB 1.706 39.777 38.000 0.119 0.000 1.289 239 I HN 0.418 nan 8.210 nan 0.000 0.438 240 L N 5.413 126.649 121.223 0.020 0.000 2.371 240 L HA 0.973 5.312 4.340 -0.001 0.000 0.262 240 L C -0.509 176.414 176.870 0.089 0.000 1.006 240 L CA -0.651 54.197 54.840 0.013 0.000 0.818 240 L CB 2.155 44.150 42.059 -0.107 0.000 1.354 240 L HN 0.734 nan 8.230 nan 0.000 0.415 241 A N 2.044 124.934 122.820 0.117 0.000 2.608 241 A HA 0.761 5.081 4.320 -0.001 0.000 0.292 241 A C -1.696 175.962 177.584 0.123 0.000 1.066 241 A CA -0.631 51.473 52.037 0.112 0.000 0.676 241 A CB 2.299 21.363 19.000 0.107 0.000 1.277 241 A HN 0.619 nan 8.150 nan 0.000 0.413 242 K N 0.123 120.610 120.400 0.145 0.000 2.525 242 K HA 0.536 4.856 4.320 -0.001 0.000 0.254 242 K C 0.566 177.246 176.600 0.134 0.000 0.934 242 K CA 0.236 56.607 56.287 0.139 0.000 0.802 242 K CB 1.626 34.162 32.500 0.060 0.000 1.295 242 K HN 2.367 nan 8.250 nan 0.000 0.433 243 G N 1.799 110.686 108.800 0.145 0.000 2.155 243 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.257 243 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.257 243 G C 0.336 175.250 174.900 0.023 0.000 0.983 243 G CA 0.219 45.359 45.100 0.068 0.000 0.676 243 G HN 0.892 nan 8.290 nan 0.000 0.528 244 G N -0.253 108.572 108.800 0.041 0.000 2.588 244 G HA2 0.688 4.647 3.960 -0.001 0.000 0.281 244 G HA3 0.688 4.647 3.960 -0.001 0.000 0.281 244 G C 0.593 175.167 174.900 -0.544 0.000 1.236 244 G CA 0.795 45.740 45.100 -0.257 0.000 0.969 244 G HN 1.538 nan 8.290 nan 0.000 0.504 245 S N -1.249 114.118 115.700 -0.555 0.000 2.713 245 S HA 0.330 4.800 4.470 -0.001 0.000 0.283 245 S C 0.952 175.196 174.600 -0.594 0.000 1.161 245 S CA -0.451 57.488 58.200 -0.434 0.000 0.999 245 S CB 1.846 64.909 63.200 -0.229 0.000 1.039 245 S HN 0.602 nan 8.310 nan 0.000 0.548 246 E N 1.102 121.118 120.200 -0.307 0.000 2.058 246 E HA -0.194 4.155 4.350 -0.001 0.000 0.194 246 E C 2.599 179.098 176.600 -0.168 0.000 0.997 246 E CA 1.868 58.160 56.400 -0.181 0.000 0.801 246 E CB -0.968 28.688 29.700 -0.074 0.000 0.746 246 E HN 0.914 nan 8.360 nan 0.000 0.450 247 E N 1.531 121.638 120.200 -0.156 0.000 2.049 247 E HA -0.208 4.142 4.350 -0.001 0.000 0.198 247 E C 2.004 178.522 176.600 -0.136 0.000 1.007 247 E CA 1.588 57.920 56.400 -0.113 0.000 0.809 247 E CB -1.044 28.603 29.700 -0.088 0.000 0.749 247 E HN 0.155 nan 8.360 nan 0.000 0.450 248 L N -0.390 120.704 121.223 -0.215 0.000 2.079 248 L HA -0.117 4.223 4.340 -0.001 0.000 0.210 248 L C 2.399 179.179 176.870 -0.151 0.000 1.081 248 L CA 1.924 56.641 54.840 -0.205 0.000 0.752 248 L CB -0.640 41.270 42.059 -0.249 0.000 0.896 248 L HN 0.461 nan 8.230 nan 0.000 0.433 249 Y N 0.309 120.426 120.300 -0.306 0.000 2.373 249 Y HA -0.012 4.538 4.550 -0.001 0.000 0.293 249 Y C 2.707 178.462 175.900 -0.242 0.000 1.129 249 Y CA 1.132 58.942 58.100 -0.482 0.000 1.226 249 Y CB -1.533 36.687 38.460 -0.400 0.000 1.000 249 Y HN 0.308 nan 8.280 nan 0.000 0.549 250 K N 1.107 121.509 120.400 0.003 0.000 2.062 250 K HA -0.132 4.188 4.320 -0.001 0.000 0.205 250 K C 1.996 178.585 176.600 -0.018 0.000 1.051 250 K CA 1.582 57.868 56.287 -0.003 0.000 0.941 250 K CB -0.740 31.755 32.500 -0.008 0.000 0.719 250 K HN 0.363 nan 8.250 nan 0.000 0.440 251 K N 0.118 120.490 120.400 -0.046 0.000 2.032 251 K HA 0.016 4.336 4.320 -0.001 0.000 0.209 251 K C 2.285 178.856 176.600 -0.047 0.000 1.048 251 K CA 1.494 57.749 56.287 -0.053 0.000 0.927 251 K CB -0.402 32.047 32.500 -0.085 0.000 0.712 251 K HN 0.281 nan 8.250 nan 0.000 0.441 252 L N 1.274 122.451 121.223 -0.076 0.000 2.042 252 L HA -0.231 4.109 4.340 -0.001 0.000 0.210 252 L C 2.039 178.950 176.870 0.069 0.000 1.076 252 L CA 1.026 55.838 54.840 -0.047 0.000 0.749 252 L CB -0.512 41.461 42.059 -0.144 0.000 0.893 252 L HN 0.249 nan 8.230 nan 0.000 0.432 253 N N -0.563 118.177 118.700 0.067 0.000 2.188 253 N HA -0.127 4.613 4.740 -0.001 0.000 0.184 253 N C 2.019 177.657 175.510 0.213 0.000 1.018 253 N CA 1.385 54.484 53.050 0.082 0.000 0.858 253 N CB -0.140 38.208 38.487 -0.232 0.000 0.989 253 N HN 0.185 nan 8.380 nan 0.000 0.426 254 S N 0.711 116.480 115.700 0.116 0.000 2.387 254 S HA 0.026 4.496 4.470 -0.001 0.000 0.226 254 S C 2.089 176.733 174.600 0.074 0.000 1.026 254 S CA 0.846 59.102 58.200 0.094 0.000 0.972 254 S CB -0.170 63.050 63.200 0.032 0.000 0.814 254 S HN 0.469 nan 8.310 nan 0.000 0.477 255 A N 1.228 124.086 122.820 0.063 0.000 1.908 255 A HA -0.069 4.250 4.320 -0.001 0.000 0.218 255 A C 2.321 179.981 177.584 0.127 0.000 1.181 255 A CA 1.598 53.669 52.037 0.056 0.000 0.627 255 A CB -0.892 18.110 19.000 0.004 0.000 0.818 255 A HN 0.346 nan 8.150 nan 0.000 0.445 256 V N -2.497 117.523 119.914 0.177 0.000 2.307 256 V HA 0.032 4.152 4.120 -0.001 0.000 0.245 256 V C 0.858 177.111 176.094 0.264 0.000 1.045 256 V CA 1.798 64.225 62.300 0.212 0.000 1.024 256 V CB -0.536 31.432 31.823 0.243 0.000 0.651 256 V HN 0.550 nan 8.190 nan 0.000 0.449 257 F N 0.928 120.968 119.950 0.149 0.000 2.604 257 F HA 0.533 5.060 4.527 -0.001 0.000 0.316 257 F C -2.495 173.388 175.800 0.138 0.000 1.136 257 F CA -1.999 56.061 58.000 0.100 0.000 0.989 257 F CB 2.050 41.064 39.000 0.024 0.000 1.258 257 F HN -0.143 nan 8.300 nan 0.000 0.451 258 P HA 0.138 nan 4.420 nan 0.000 0.253 258 P C 1.146 178.271 177.300 -0.291 0.000 1.260 258 P CA 0.797 63.276 63.100 -1.035 0.000 0.800 258 P CB 0.227 31.311 31.700 -1.026 0.000 1.162 259 G N 1.535 110.263 108.800 -0.121 0.000 2.628 259 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.217 259 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.217 259 G C 1.453 176.410 174.900 0.094 0.000 1.240 259 G CA 1.168 46.273 45.100 0.008 0.000 0.792 259 G HN 0.421 nan 8.290 nan 0.000 0.593 260 G N -1.478 107.414 108.800 0.153 0.000 3.274 260 G HA2 0.487 4.447 3.960 -0.001 0.000 0.250 260 G HA3 0.487 4.447 3.960 -0.001 0.000 0.250 260 G C 0.461 175.397 174.900 0.061 0.000 1.024 260 G CA -0.047 45.138 45.100 0.142 0.000 0.840 260 G HN 0.479 nan 8.290 nan 0.000 0.522 261 Q N -1.322 118.556 119.800 0.130 0.000 2.544 261 Q HA 0.589 4.929 4.340 -0.001 0.000 0.291 261 Q C 0.224 176.401 176.000 0.295 0.000 1.068 261 Q CA -0.693 55.202 55.803 0.153 0.000 0.785 261 Q CB 2.147 30.904 28.738 0.032 0.000 1.481 261 Q HN 0.132 nan 8.270 nan 0.000 0.430 262 G N -0.358 108.602 108.800 0.267 0.000 3.441 262 G HA2 0.512 4.472 3.960 -0.001 0.000 0.195 262 G HA3 0.512 4.472 3.960 -0.001 0.000 0.195 262 G C -0.191 174.787 174.900 0.130 0.000 1.633 262 G CA -0.059 45.224 45.100 0.304 0.000 0.895 262 G HN 0.561 nan 8.290 nan 0.000 0.654 263 G N 1.235 110.109 108.800 0.123 0.000 2.432 263 G HA2 0.528 4.488 3.960 -0.001 0.000 0.257 263 G HA3 0.528 4.488 3.960 -0.001 0.000 0.257 263 G C -2.083 172.764 174.900 -0.088 0.000 1.238 263 G CA -0.495 44.545 45.100 -0.100 0.000 0.838 263 G HN 0.421 nan 8.290 nan 0.000 0.547 264 P HA 0.265 nan 4.420 nan 0.000 0.279 264 P C -0.399 176.890 177.300 -0.019 0.000 1.276 264 P CA -0.602 62.475 63.100 -0.039 0.000 0.801 264 P CB 1.404 33.008 31.700 -0.161 0.000 1.127 265 L N 1.547 122.787 121.223 0.029 0.000 2.353 265 L HA 0.187 4.526 4.340 -0.001 0.000 0.269 265 L C 1.814 178.639 176.870 -0.074 0.000 1.085 265 L CA -0.584 54.231 54.840 -0.042 0.000 0.938 265 L CB 0.178 42.125 42.059 -0.186 0.000 1.312 265 L HN 0.192 nan 8.230 nan 0.000 0.429 266 M N 0.437 120.045 119.600 0.013 0.000 2.195 266 M HA -0.199 4.281 4.480 -0.001 0.000 0.260 266 M C 2.147 178.473 176.300 0.042 0.000 1.066 266 M CA 1.852 57.156 55.300 0.007 0.000 1.089 266 M CB -1.179 31.421 32.600 0.001 0.000 1.377 266 M HN 0.685 nan 8.290 nan 0.000 0.411 267 H N -2.030 117.005 119.070 -0.059 0.000 2.462 267 H HA 0.082 4.638 4.556 -0.001 0.000 0.292 267 H C 1.842 177.150 175.328 -0.034 0.000 1.049 267 H CA 0.836 56.858 56.048 -0.045 0.000 1.334 267 H CB -0.584 29.147 29.762 -0.052 0.000 1.404 267 H HN 0.149 nan 8.280 nan 0.000 0.544 268 V N 1.116 120.745 119.914 -0.475 0.000 2.591 268 V HA -0.120 4.000 4.120 -0.001 0.000 0.249 268 V C 2.393 178.402 176.094 -0.141 0.000 1.053 268 V CA 1.206 63.314 62.300 -0.320 0.000 1.068 268 V CB -0.312 31.295 31.823 -0.359 0.000 0.689 268 V HN 0.428 nan 8.190 nan 0.000 0.462 269 I N 0.783 121.285 120.570 -0.112 0.000 2.394 269 I HA -0.187 3.983 4.170 -0.001 0.000 0.251 269 I C 2.641 178.736 176.117 -0.036 0.000 1.136 269 I CA 1.252 62.517 61.300 -0.059 0.000 1.425 269 I CB -0.478 37.491 38.000 -0.051 0.000 1.079 269 I HN 0.292 nan 8.210 nan 0.000 0.425 270 A N 1.025 123.829 122.820 -0.028 0.000 1.902 270 A HA -0.112 4.208 4.320 -0.001 0.000 0.217 270 A C 2.455 180.031 177.584 -0.014 0.000 1.181 270 A CA 1.836 53.867 52.037 -0.009 0.000 0.623 270 A CB -1.360 17.646 19.000 0.010 0.000 0.818 270 A HN 0.434 nan 8.150 nan 0.000 0.443 271 G N -0.312 108.474 108.800 -0.023 0.000 2.422 271 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.218 271 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.218 271 G C 1.666 176.556 174.900 -0.017 0.000 1.146 271 G CA 1.111 46.200 45.100 -0.018 0.000 0.769 271 G HN 0.579 nan 8.290 nan 0.000 0.547 272 K N 0.552 120.939 120.400 -0.021 0.000 2.057 272 K HA 0.015 4.335 4.320 -0.001 0.000 0.207 272 K C 2.942 179.532 176.600 -0.016 0.000 1.049 272 K CA 1.023 57.303 56.287 -0.012 0.000 0.931 272 K CB -0.229 32.264 32.500 -0.011 0.000 0.714 272 K HN 0.270 nan 8.250 nan 0.000 0.440 273 A N 0.879 123.688 122.820 -0.019 0.000 1.933 273 A HA -0.131 4.189 4.320 -0.001 0.000 0.218 273 A C 2.274 179.841 177.584 -0.029 0.000 1.175 273 A CA 1.502 53.526 52.037 -0.021 0.000 0.628 273 A CB -0.610 18.380 19.000 -0.016 0.000 0.814 273 A HN 0.182 nan 8.150 nan 0.000 0.444 274 V N -0.662 119.237 119.914 -0.025 0.000 2.719 274 V HA 0.024 4.143 4.120 -0.001 0.000 0.252 274 V C 2.627 178.693 176.094 -0.047 0.000 1.065 274 V CA 1.813 64.095 62.300 -0.030 0.000 1.086 274 V CB -0.360 31.453 31.823 -0.017 0.000 0.700 274 V HN 0.568 nan 8.190 nan 0.000 0.467 275 A N -0.417 122.376 122.820 -0.044 0.000 1.929 275 A HA 0.002 4.322 4.320 -0.001 0.000 0.216 275 A C 2.064 179.571 177.584 -0.128 0.000 1.176 275 A CA 1.452 53.450 52.037 -0.066 0.000 0.628 275 A CB -0.439 18.545 19.000 -0.027 0.000 0.816 275 A HN 0.536 nan 8.150 nan 0.000 0.444 276 L N -0.848 120.317 121.223 -0.098 0.000 2.362 276 L HA -0.103 4.237 4.340 -0.001 0.000 0.219 276 L C 2.495 179.266 176.870 -0.164 0.000 1.134 276 L CA 1.406 56.170 54.840 -0.127 0.000 0.807 276 L CB -0.254 41.769 42.059 -0.059 0.000 0.927 276 L HN 0.465 nan 8.230 nan 0.000 0.447 277 K N 0.411 120.735 120.400 -0.127 0.000 2.137 277 K HA -0.105 4.215 4.320 -0.001 0.000 0.202 277 K C 1.798 178.310 176.600 -0.148 0.000 1.052 277 K CA 0.781 57.000 56.287 -0.114 0.000 0.961 277 K CB 0.211 32.669 32.500 -0.069 0.000 0.741 277 K HN 0.295 nan 8.250 nan 0.000 0.452 278 E N 0.165 120.265 120.200 -0.167 0.000 2.150 278 E HA -0.135 4.215 4.350 -0.001 0.000 0.193 278 E C 1.695 178.060 176.600 -0.391 0.000 0.985 278 E CA 0.842 57.133 56.400 -0.182 0.000 0.814 278 E CB -0.014 29.610 29.700 -0.127 0.000 0.752 278 E HN 0.352 nan 8.360 nan 0.000 0.466 279 A N 0.654 123.080 122.820 -0.658 0.000 2.216 279 A HA -0.055 4.264 4.320 -0.001 0.000 0.214 279 A C 1.915 179.115 177.584 -0.640 0.000 1.160 279 A CA 0.758 51.970 52.037 -1.375 0.000 0.725 279 A CB -0.316 18.042 19.000 -1.069 0.000 0.784 279 A HN 0.148 nan 8.150 nan 0.000 0.472 280 M N -0.137 119.278 119.600 -0.308 0.000 2.502 280 M HA 0.074 4.553 4.480 -0.001 0.000 0.243 280 M C -0.169 176.115 176.300 -0.027 0.000 1.130 280 M CA 0.191 55.414 55.300 -0.129 0.000 1.055 280 M CB 0.193 32.727 32.600 -0.110 0.000 1.457 280 M HN 0.176 nan 8.290 nan 0.000 0.488 281 E N 0.752 120.950 120.200 -0.003 0.000 2.383 281 E HA 0.051 4.401 4.350 -0.001 0.000 0.264 281 E C -1.806 174.877 176.600 0.138 0.000 1.050 281 E CA -1.491 54.949 56.400 0.066 0.000 0.896 281 E CB 0.199 29.944 29.700 0.074 0.000 0.982 281 E HN -0.004 nan 8.360 nan 0.000 0.424 282 P HA -0.102 nan 4.420 nan 0.000 0.219 282 P C 0.559 177.937 177.300 0.130 0.000 1.150 282 P CA 1.063 64.226 63.100 0.105 0.000 0.814 282 P CB 0.368 32.109 31.700 0.069 0.000 0.787 283 E N -1.582 118.698 120.200 0.133 0.000 2.265 283 E HA -0.153 4.197 4.350 -0.001 0.000 0.196 283 E C 1.542 178.263 176.600 0.202 0.000 0.996 283 E CA 0.743 57.226 56.400 0.137 0.000 0.832 283 E CB -1.070 28.696 29.700 0.110 0.000 0.756 283 E HN 0.286 nan 8.360 nan 0.000 0.491 284 F N 1.205 121.210 119.950 0.092 0.000 2.259 284 F HA 0.005 4.532 4.527 -0.001 0.000 0.298 284 F C 2.001 177.906 175.800 0.175 0.000 1.088 284 F CA 1.121 59.210 58.000 0.149 0.000 1.358 284 F CB 0.178 39.230 39.000 0.085 0.000 1.040 284 F HN -0.156 nan 8.300 nan 0.000 0.505 285 K N -0.276 120.221 120.400 0.162 0.000 2.062 285 K HA -0.129 4.191 4.320 -0.001 0.000 0.205 285 K C 1.992 178.588 176.600 -0.007 0.000 1.051 285 K CA 1.772 58.092 56.287 0.055 0.000 0.941 285 K CB -0.320 32.240 32.500 0.100 0.000 0.719 285 K HN 0.386 nan 8.250 nan 0.000 0.440 286 T N -1.636 112.942 114.554 0.040 0.000 3.023 286 T HA -0.143 4.207 4.350 -0.001 0.000 0.266 286 T C 1.776 176.487 174.700 0.019 0.000 1.093 286 T CA 0.634 62.752 62.100 0.030 0.000 1.129 286 T CB -0.416 68.487 68.868 0.057 0.000 0.899 286 T HN 0.337 nan 8.240 nan 0.000 0.491 287 Y N 2.357 122.593 120.300 -0.106 0.000 2.163 287 Y HA -0.034 4.516 4.550 -0.001 0.000 0.288 287 Y C 2.507 178.300 175.900 -0.179 0.000 1.136 287 Y CA 1.277 59.295 58.100 -0.136 0.000 1.147 287 Y CB -0.536 37.813 38.460 -0.185 0.000 0.987 287 Y HN 0.049 nan 8.280 nan 0.000 0.509 288 Q N 0.680 120.121 119.800 -0.598 0.000 2.170 288 Q HA -0.211 4.128 4.340 -0.001 0.000 0.203 288 Q C 2.152 177.965 176.000 -0.311 0.000 0.976 288 Q CA 1.883 57.333 55.803 -0.588 0.000 0.858 288 Q CB -0.490 28.003 28.738 -0.410 0.000 0.907 288 Q HN 0.706 nan 8.270 nan 0.000 0.433 289 Q N -0.095 119.593 119.800 -0.186 0.000 2.084 289 Q HA -0.162 4.178 4.340 -0.001 0.000 0.202 289 Q C 2.141 178.087 176.000 -0.090 0.000 0.978 289 Q CA 0.922 56.669 55.803 -0.092 0.000 0.844 289 Q CB 0.024 28.736 28.738 -0.044 0.000 0.898 289 Q HN 0.287 nan 8.270 nan 0.000 0.426 290 Q N 0.017 119.750 119.800 -0.111 0.000 2.079 290 Q HA -0.108 4.232 4.340 -0.001 0.000 0.200 290 Q C 2.265 178.206 176.000 -0.099 0.000 0.974 290 Q CA 0.983 56.745 55.803 -0.069 0.000 0.840 290 Q CB -0.183 28.542 28.738 -0.021 0.000 0.898 290 Q HN 0.259 nan 8.270 nan 0.000 0.430 291 V N 1.086 120.867 119.914 -0.221 0.000 2.233 291 V HA -0.313 3.807 4.120 -0.001 0.000 0.247 291 V C 2.420 178.474 176.094 -0.068 0.000 1.050 291 V CA 2.093 64.278 62.300 -0.193 0.000 1.010 291 V CB -1.235 30.379 31.823 -0.348 0.000 0.637 291 V HN 0.361 nan 8.190 nan 0.000 0.444 292 A N -0.534 122.252 122.820 -0.057 0.000 1.902 292 A HA -0.291 4.028 4.320 -0.001 0.000 0.217 292 A C 2.328 179.914 177.584 0.003 0.000 1.181 292 A CA 2.341 54.383 52.037 0.007 0.000 0.623 292 A CB -0.546 18.467 19.000 0.022 0.000 0.818 292 A HN 0.538 nan 8.150 nan 0.000 0.443 293 K N -0.442 119.949 120.400 -0.014 0.000 2.032 293 K HA -0.185 4.135 4.320 -0.001 0.000 0.209 293 K C 1.773 178.374 176.600 0.001 0.000 1.048 293 K CA 1.667 57.949 56.287 -0.009 0.000 0.927 293 K CB -0.173 32.320 32.500 -0.012 0.000 0.712 293 K HN 0.441 nan 8.250 nan 0.000 0.441 294 N N 0.515 119.219 118.700 0.007 0.000 2.166 294 N HA -0.135 4.604 4.740 -0.001 0.000 0.186 294 N C 1.585 177.126 175.510 0.052 0.000 1.019 294 N CA 1.251 54.319 53.050 0.029 0.000 0.856 294 N CB -0.349 38.163 38.487 0.041 0.000 0.993 294 N HN 0.279 nan 8.380 nan 0.000 0.426 295 A N 1.514 124.369 122.820 0.059 0.000 1.908 295 A HA -0.153 4.166 4.320 -0.001 0.000 0.218 295 A C 2.156 179.765 177.584 0.043 0.000 1.181 295 A CA 1.408 53.515 52.037 0.117 0.000 0.627 295 A CB -0.371 18.695 19.000 0.110 0.000 0.818 295 A HN 0.245 nan 8.150 nan 0.000 0.445 296 K N -0.430 119.967 120.400 -0.005 0.000 2.097 296 K HA -0.042 4.277 4.320 -0.001 0.000 0.206 296 K C 2.288 178.848 176.600 -0.067 0.000 1.049 296 K CA 1.048 57.301 56.287 -0.056 0.000 0.933 296 K CB -0.312 32.166 32.500 -0.038 0.000 0.717 296 K HN 0.447 nan 8.250 nan 0.000 0.442 297 A N 1.237 124.040 122.820 -0.029 0.000 1.933 297 A HA -0.152 4.168 4.320 -0.001 0.000 0.218 297 A C 2.092 179.666 177.584 -0.017 0.000 1.175 297 A CA 1.437 53.459 52.037 -0.025 0.000 0.628 297 A CB -0.408 18.585 19.000 -0.012 0.000 0.814 297 A HN 0.187 nan 8.150 nan 0.000 0.444 298 M N -1.009 118.599 119.600 0.013 0.000 2.200 298 M HA -0.085 4.395 4.480 -0.001 0.000 0.265 298 M C 2.083 178.354 176.300 -0.049 0.000 1.066 298 M CA 1.011 56.364 55.300 0.089 0.000 1.127 298 M CB -0.365 32.392 32.600 0.261 0.000 1.379 298 M HN 0.242 nan 8.290 nan 0.000 0.420 299 V N 0.802 120.488 119.914 -0.380 0.000 2.343 299 V HA -0.264 3.856 4.120 -0.001 0.000 0.247 299 V C 2.058 178.042 176.094 -0.183 0.000 1.051 299 V CA 1.903 63.869 62.300 -0.556 0.000 1.036 299 V CB -0.674 30.809 31.823 -0.567 0.000 0.654 299 V HN 0.479 nan 8.190 nan 0.000 0.451 300 E N -0.162 119.973 120.200 -0.109 0.000 2.033 300 E HA -0.232 4.118 4.350 -0.001 0.000 0.199 300 E C 2.231 178.826 176.600 -0.010 0.000 1.011 300 E CA 1.962 58.331 56.400 -0.052 0.000 0.815 300 E CB -0.364 29.309 29.700 -0.045 0.000 0.755 300 E HN 0.447 nan 8.360 nan 0.000 0.451 301 V N 0.777 120.693 119.914 0.003 0.000 2.282 301 V HA -0.277 3.843 4.120 -0.001 0.000 0.249 301 V C 2.067 178.162 176.094 0.002 0.000 1.057 301 V CA 1.872 64.165 62.300 -0.011 0.000 1.032 301 V CB -0.630 31.168 31.823 -0.042 0.000 0.645 301 V HN 0.202 nan 8.190 nan 0.000 0.447 302 F N -0.338 119.566 119.950 -0.077 0.000 2.161 302 F HA -0.149 4.378 4.527 -0.001 0.000 0.300 302 F C 2.132 177.975 175.800 0.070 0.000 1.089 302 F CA 1.535 59.526 58.000 -0.015 0.000 1.282 302 F CB -0.436 38.505 39.000 -0.099 0.000 1.010 302 F HN 0.058 nan 8.300 nan 0.000 0.485 303 L N -0.674 120.646 121.223 0.160 0.000 2.072 303 L HA -0.167 4.173 4.340 -0.001 0.000 0.205 303 L C 2.202 179.106 176.870 0.057 0.000 1.079 303 L CA 1.300 56.194 54.840 0.090 0.000 0.752 303 L CB -0.678 41.394 42.059 0.022 0.000 0.906 303 L HN 0.114 nan 8.230 nan 0.000 0.436 304 E N -0.129 120.091 120.200 0.033 0.000 2.265 304 E HA -0.146 4.204 4.350 -0.001 0.000 0.196 304 E C 1.717 178.327 176.600 0.017 0.000 0.996 304 E CA 0.479 56.886 56.400 0.011 0.000 0.832 304 E CB 0.149 29.845 29.700 -0.006 0.000 0.756 304 E HN 0.279 nan 8.360 nan 0.000 0.491 305 R N -0.435 120.096 120.500 0.051 0.000 2.359 305 R HA 0.084 4.423 4.340 -0.001 0.000 0.231 305 R C 0.848 177.178 176.300 0.051 0.000 0.913 305 R CA 0.593 56.739 56.100 0.077 0.000 1.075 305 R CB 0.700 31.063 30.300 0.105 0.000 1.087 305 R HN 0.244 nan 8.270 nan 0.000 0.515 306 G N 0.930 109.737 108.800 0.012 0.000 2.149 306 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.235 306 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.235 306 G C -0.544 174.205 174.900 -0.252 0.000 1.018 306 G CA -0.157 44.871 45.100 -0.120 0.000 0.728 306 G HN 0.290 nan 8.290 nan 0.000 0.508 307 Y N -0.319 120.013 120.300 0.054 0.000 2.360 307 Y HA 0.543 5.093 4.550 -0.001 0.000 0.337 307 Y C 0.744 176.701 175.900 0.094 0.000 1.039 307 Y CA -0.898 57.269 58.100 0.112 0.000 1.109 307 Y CB 1.456 40.069 38.460 0.254 0.000 1.201 307 Y HN 0.074 nan 8.280 nan 0.000 0.458 308 K N 3.031 123.547 120.400 0.193 0.000 2.338 308 K HA 0.374 4.694 4.320 -0.001 0.000 0.290 308 K C -1.372 175.293 176.600 0.107 0.000 1.069 308 K CA -0.155 56.197 56.287 0.108 0.000 0.941 308 K CB 0.248 32.785 32.500 0.061 0.000 1.023 308 K HN 0.499 nan 8.250 nan 0.000 0.477 309 V N 5.908 125.853 119.914 0.052 0.000 2.350 309 V HA 0.100 4.220 4.120 -0.001 0.000 0.276 309 V C 0.095 176.175 176.094 -0.024 0.000 1.028 309 V CA -0.926 61.374 62.300 -0.001 0.000 0.860 309 V CB 1.395 33.154 31.823 -0.107 0.000 0.990 309 V HN 0.543 nan 8.190 nan 0.000 0.453 310 V N 4.944 124.844 119.914 -0.023 0.000 2.814 310 V HA 0.031 4.151 4.120 -0.001 0.000 0.307 310 V C 1.331 177.365 176.094 -0.099 0.000 1.089 310 V CA 1.207 63.474 62.300 -0.055 0.000 1.212 310 V CB 0.702 32.486 31.823 -0.065 0.000 0.912 310 V HN 1.215 nan 8.190 nan 0.000 0.497 311 S N 2.383 118.015 115.700 -0.114 0.000 2.929 311 S HA -0.256 4.214 4.470 -0.001 0.000 0.271 311 S C 1.526 176.091 174.600 -0.057 0.000 1.295 311 S CA 1.459 59.542 58.200 -0.194 0.000 1.277 311 S CB -1.645 61.311 63.200 -0.407 0.000 1.557 311 S HN 2.344 nan 8.310 nan 0.000 0.666 312 G N 0.026 108.802 108.800 -0.039 0.000 2.228 312 G HA2 0.026 3.986 3.960 -0.001 0.000 0.270 312 G HA3 0.026 3.986 3.960 -0.001 0.000 0.270 312 G C 0.792 175.657 174.900 -0.058 0.000 0.976 312 G CA 1.128 46.215 45.100 -0.023 0.000 0.636 312 G HN 1.969 nan 8.290 nan 0.000 0.542 313 G N -2.849 105.896 108.800 -0.092 0.000 2.428 313 G HA2 0.694 4.654 3.960 -0.001 0.000 0.305 313 G HA3 0.694 4.654 3.960 -0.001 0.000 0.305 313 G C -0.945 173.873 174.900 -0.137 0.000 1.260 313 G CA 0.725 45.752 45.100 -0.122 0.000 0.853 313 G HN 1.342 nan 8.290 nan 0.000 0.480 314 T N -0.682 113.803 114.554 -0.115 0.000 2.956 314 T HA 0.570 4.919 4.350 -0.001 0.000 0.312 314 T C -1.376 173.289 174.700 -0.058 0.000 1.151 314 T CA -0.427 61.615 62.100 -0.097 0.000 1.024 314 T CB 1.871 70.717 68.868 -0.038 0.000 1.140 314 T HN 0.303 nan 8.240 nan 0.000 0.473 315 D N 2.694 123.065 120.400 -0.048 0.000 2.513 315 D HA 0.198 4.837 4.640 -0.001 0.000 0.222 315 D C 0.245 176.625 176.300 0.133 0.000 1.210 315 D CA -0.055 53.953 54.000 0.012 0.000 0.825 315 D CB 0.655 41.439 40.800 -0.026 0.000 1.037 315 D HN 0.676 nan 8.370 nan 0.000 0.506 316 N N -0.791 117.983 118.700 0.123 0.000 3.649 316 N HA -0.028 4.711 4.740 -0.001 0.000 0.342 316 N C 0.851 176.457 175.510 0.160 0.000 1.609 316 N CA -0.401 52.787 53.050 0.230 0.000 0.692 316 N CB -0.071 38.613 38.487 0.328 0.000 2.712 316 N HN -0.173 nan 8.380 nan 0.000 0.598 317 H N -0.875 118.225 119.070 0.050 0.000 2.551 317 H HA 0.341 4.897 4.556 -0.001 0.000 0.266 317 H C 0.156 175.490 175.328 0.010 0.000 0.964 317 H CA 0.112 56.169 56.048 0.015 0.000 1.180 317 H CB -0.324 29.432 29.762 -0.009 0.000 1.408 317 H HN 0.518 nan 8.280 nan 0.000 0.563 318 L N -1.422 119.495 121.223 -0.510 0.000 2.250 318 L HA 0.765 5.105 4.340 -0.001 0.000 0.252 318 L C -1.058 175.707 176.870 -0.176 0.000 1.054 318 L CA -1.729 52.849 54.840 -0.436 0.000 0.856 318 L CB 1.669 43.369 42.059 -0.598 0.000 1.443 318 L HN -0.020 nan 8.230 nan 0.000 0.427 319 F N -1.868 117.916 119.950 -0.276 0.000 2.725 319 F HA 0.781 5.308 4.527 -0.001 0.000 0.309 319 F C -2.091 173.561 175.800 -0.246 0.000 1.132 319 F CA -1.273 56.569 58.000 -0.263 0.000 0.957 319 F CB 0.871 39.714 39.000 -0.261 0.000 1.286 319 F HN 0.545 nan 8.300 nan 0.000 0.440 320 L N 2.659 123.897 121.223 0.025 0.000 2.325 320 L HA 0.791 5.131 4.340 -0.001 0.000 0.278 320 L C -0.890 176.012 176.870 0.053 0.000 1.023 320 L CA -1.458 53.357 54.840 -0.041 0.000 0.811 320 L CB 2.000 44.025 42.059 -0.058 0.000 1.249 320 L HN 0.617 nan 8.230 nan 0.000 0.431 321 V N 1.695 121.615 119.914 0.010 0.000 2.326 321 V HA 0.168 4.288 4.120 -0.001 0.000 0.281 321 V C -0.307 175.834 176.094 0.078 0.000 1.015 321 V CA -0.630 61.712 62.300 0.069 0.000 0.823 321 V CB 1.460 33.320 31.823 0.062 0.000 1.009 321 V HN 0.623 nan 8.190 nan 0.000 0.436 322 D N 4.678 125.128 120.400 0.083 0.000 2.339 322 D HA 0.210 4.850 4.640 -0.001 0.000 0.256 322 D C 0.491 176.855 176.300 0.108 0.000 1.214 322 D CA 0.043 54.082 54.000 0.064 0.000 0.877 322 D CB 1.450 42.271 40.800 0.035 0.000 1.111 322 D HN 0.477 nan 8.370 nan 0.000 0.478 323 L N 3.776 125.056 121.223 0.096 0.000 2.769 323 L HA 0.074 4.413 4.340 -0.001 0.000 0.240 323 L C 2.043 178.954 176.870 0.069 0.000 1.163 323 L CA -0.319 54.591 54.840 0.116 0.000 0.962 323 L CB 0.580 42.713 42.059 0.124 0.000 1.258 323 L HN 0.252 nan 8.230 nan 0.000 0.513 324 V N 1.020 120.961 119.914 0.045 0.000 2.287 324 V HA -0.299 3.820 4.120 -0.001 0.000 0.248 324 V C 2.334 178.441 176.094 0.021 0.000 1.053 324 V CA 2.370 64.687 62.300 0.028 0.000 1.027 324 V CB -0.459 31.375 31.823 0.018 0.000 0.646 324 V HN 0.715 nan 8.190 nan 0.000 0.447 325 D N -0.435 119.973 120.400 0.014 0.000 2.378 325 D HA -0.183 4.457 4.640 -0.001 0.000 0.222 325 D C 1.470 177.763 176.300 -0.012 0.000 0.980 325 D CA 0.768 54.765 54.000 -0.004 0.000 0.907 325 D CB -0.166 40.624 40.800 -0.017 0.000 0.899 325 D HN 0.345 nan 8.370 nan 0.000 0.527 326 K N 0.331 120.736 120.400 0.007 0.000 2.358 326 K HA 0.050 4.370 4.320 -0.001 0.000 0.197 326 K C 0.124 176.740 176.600 0.026 0.000 1.025 326 K CA -0.310 55.983 56.287 0.009 0.000 1.104 326 K CB 0.064 32.592 32.500 0.046 0.000 0.855 326 K HN 0.056 nan 8.250 nan 0.000 0.531 327 N N 1.198 119.913 118.700 0.025 0.000 2.725 327 N HA -0.210 4.529 4.740 -0.001 0.000 0.251 327 N C -0.863 174.668 175.510 0.035 0.000 1.031 327 N CA 0.773 53.838 53.050 0.025 0.000 0.720 327 N CB -1.402 37.096 38.487 0.018 0.000 0.930 327 N HN 0.249 nan 8.380 nan 0.000 0.543 328 L N -0.115 121.136 121.223 0.045 0.000 2.388 328 L HA 0.493 4.832 4.340 -0.001 0.000 0.264 328 L C 0.724 177.620 176.870 0.043 0.000 0.998 328 L CA -0.759 54.110 54.840 0.050 0.000 0.817 328 L CB 2.219 44.322 42.059 0.073 0.000 1.338 328 L HN 0.135 nan 8.230 nan 0.000 0.414 329 T N -2.002 112.572 114.554 0.033 0.000 2.928 329 T HA 0.325 4.675 4.350 -0.001 0.000 0.284 329 T C 1.179 175.888 174.700 0.014 0.000 1.008 329 T CA -0.094 62.020 62.100 0.023 0.000 1.057 329 T CB 1.796 70.676 68.868 0.020 0.000 1.018 329 T HN 0.704 nan 8.240 nan 0.000 0.493 330 G N 0.683 109.483 108.800 0.000 0.000 2.450 330 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.220 330 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.220 330 G C 1.328 176.207 174.900 -0.035 0.000 1.130 330 G CA 0.828 45.918 45.100 -0.017 0.000 0.760 330 G HN 0.826 nan 8.290 nan 0.000 0.557 331 K N 0.346 120.719 120.400 -0.046 0.000 2.097 331 K HA -0.089 4.230 4.320 -0.001 0.000 0.206 331 K C 2.368 178.952 176.600 -0.027 0.000 1.049 331 K CA 1.415 57.665 56.287 -0.063 0.000 0.933 331 K CB -0.114 32.351 32.500 -0.058 0.000 0.717 331 K HN 0.437 nan 8.250 nan 0.000 0.442 332 E N -0.106 120.092 120.200 -0.003 0.000 2.028 332 E HA -0.150 4.200 4.350 -0.001 0.000 0.190 332 E C 2.032 178.638 176.600 0.011 0.000 0.984 332 E CA 0.902 57.308 56.400 0.010 0.000 0.800 332 E CB -0.115 29.598 29.700 0.022 0.000 0.758 332 E HN 0.379 nan 8.360 nan 0.000 0.448 333 A N 2.121 124.950 122.820 0.017 0.000 1.865 333 A HA -0.292 4.028 4.320 -0.001 0.000 0.217 333 A C 2.074 179.661 177.584 0.006 0.000 1.191 333 A CA 1.983 54.033 52.037 0.022 0.000 0.623 333 A CB -0.786 18.234 19.000 0.033 0.000 0.826 333 A HN 0.319 nan 8.150 nan 0.000 0.444 334 D N 0.155 120.548 120.400 -0.012 0.000 2.126 334 D HA -0.197 4.443 4.640 -0.001 0.000 0.190 334 D C 2.094 178.384 176.300 -0.016 0.000 1.001 334 D CA 2.037 56.023 54.000 -0.023 0.000 0.841 334 D CB -0.248 40.523 40.800 -0.048 0.000 0.949 334 D HN 0.340 nan 8.370 nan 0.000 0.446 335 A N 0.856 123.667 122.820 -0.014 0.000 1.933 335 A HA 0.025 4.345 4.320 -0.001 0.000 0.218 335 A C 2.455 180.038 177.584 -0.002 0.000 1.175 335 A CA 2.415 54.449 52.037 -0.005 0.000 0.628 335 A CB -0.754 18.245 19.000 -0.000 0.000 0.814 335 A HN 0.395 nan 8.150 nan 0.000 0.444 336 A N -0.202 122.620 122.820 0.002 0.000 1.855 336 A HA 0.005 4.324 4.320 -0.001 0.000 0.215 336 A C 2.130 179.712 177.584 -0.003 0.000 1.191 336 A CA 1.411 53.450 52.037 0.004 0.000 0.613 336 A CB -0.661 18.347 19.000 0.014 0.000 0.829 336 A HN 0.446 nan 8.150 nan 0.000 0.442 337 L N -0.405 120.818 121.223 -0.001 0.000 2.131 337 L HA -0.137 4.203 4.340 -0.001 0.000 0.210 337 L C 2.752 179.602 176.870 -0.034 0.000 1.092 337 L CA 0.944 55.781 54.840 -0.004 0.000 0.759 337 L CB -0.656 41.409 42.059 0.009 0.000 0.903 337 L HN 0.511 nan 8.230 nan 0.000 0.435 338 G N -0.291 108.488 108.800 -0.035 0.000 2.418 338 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.217 338 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.217 338 G C 1.698 176.551 174.900 -0.078 0.000 1.158 338 G CA 0.277 45.342 45.100 -0.058 0.000 0.771 338 G HN 0.291 nan 8.290 nan 0.000 0.545 339 R N 0.419 120.895 120.500 -0.040 0.000 2.285 339 R HA 0.097 4.436 4.340 -0.001 0.000 0.213 339 R C 2.134 178.400 176.300 -0.055 0.000 1.068 339 R CA 0.704 56.784 56.100 -0.033 0.000 1.004 339 R CB -0.061 30.231 30.300 -0.014 0.000 0.873 339 R HN 0.342 nan 8.270 nan 0.000 0.467 340 A N 0.590 123.368 122.820 -0.071 0.000 2.460 340 A HA 0.130 4.450 4.320 -0.001 0.000 0.258 340 A C -0.070 177.443 177.584 -0.119 0.000 1.300 340 A CA -0.361 51.630 52.037 -0.078 0.000 0.913 340 A CB 0.083 19.054 19.000 -0.049 0.000 1.031 340 A HN 0.319 nan 8.150 nan 0.000 0.512 341 N N -1.147 117.420 118.700 -0.222 0.000 2.741 341 N HA -0.145 4.595 4.740 -0.001 0.000 0.250 341 N C -0.627 174.681 175.510 -0.337 0.000 1.115 341 N CA 1.135 53.902 53.050 -0.471 0.000 0.724 341 N CB -1.532 36.795 38.487 -0.266 0.000 1.090 341 N HN 0.607 nan 8.380 nan 0.000 0.558 342 I N 0.450 120.913 120.570 -0.179 0.000 2.405 342 I HA 0.162 4.332 4.170 -0.001 0.000 0.280 342 I C 0.030 176.116 176.117 -0.053 0.000 1.027 342 I CA -0.363 60.905 61.300 -0.052 0.000 1.161 342 I CB 1.349 39.368 38.000 0.032 0.000 1.300 342 I HN -0.109 nan 8.210 nan 0.000 0.463 343 T N 6.408 120.948 114.554 -0.024 0.000 2.728 343 T HA 0.461 4.811 4.350 -0.001 0.000 0.296 343 T C 0.387 175.083 174.700 -0.006 0.000 0.940 343 T CA -0.415 61.692 62.100 0.012 0.000 1.013 343 T CB 1.132 70.057 68.868 0.095 0.000 0.912 343 T HN 0.444 nan 8.240 nan 0.000 0.484 344 V N 1.316 121.218 119.914 -0.021 0.000 3.998 344 V HA 0.788 4.907 4.120 -0.001 0.000 0.297 344 V C -0.831 175.235 176.094 -0.046 0.000 1.378 344 V CA -1.193 61.078 62.300 -0.049 0.000 0.949 344 V CB 1.877 33.663 31.823 -0.060 0.000 1.258 344 V HN 0.910 nan 8.190 nan 0.000 0.471 345 N N -0.221 118.441 118.700 -0.064 0.000 2.452 345 N HA 0.246 4.986 4.740 -0.001 0.000 0.277 345 N C -1.176 174.289 175.510 -0.075 0.000 1.078 345 N CA -0.732 52.280 53.050 -0.062 0.000 0.947 345 N CB 2.436 40.895 38.487 -0.046 0.000 1.655 345 N HN 0.973 nan 8.380 nan 0.000 0.490 346 K N 1.776 122.124 120.400 -0.087 0.000 2.489 346 K HA 0.097 4.416 4.320 -0.001 0.000 0.278 346 K C -0.984 175.571 176.600 -0.076 0.000 1.000 346 K CA 0.111 56.346 56.287 -0.087 0.000 1.012 346 K CB 0.297 32.721 32.500 -0.126 0.000 0.903 346 K HN 0.592 nan 8.250 nan 0.000 0.485 347 N N 0.875 119.539 118.700 -0.059 0.000 2.287 347 N HA 0.150 4.890 4.740 -0.001 0.000 0.289 347 N C -1.604 173.886 175.510 -0.033 0.000 1.066 347 N CA -0.508 52.513 53.050 -0.047 0.000 0.841 347 N CB 2.153 40.605 38.487 -0.057 0.000 1.599 347 N HN 0.616 nan 8.380 nan 0.000 0.476 348 S N 0.471 116.159 115.700 -0.021 0.000 2.579 348 S HA 0.352 4.822 4.470 -0.001 0.000 0.275 348 S C 0.065 174.653 174.600 -0.020 0.000 1.345 348 S CA -0.620 57.574 58.200 -0.010 0.000 1.031 348 S CB 0.535 63.737 63.200 0.004 0.000 0.892 348 S HN 0.402 nan 8.310 nan 0.000 0.529 349 V N -0.651 119.247 119.914 -0.025 0.000 3.113 349 V HA 0.695 4.815 4.120 -0.001 0.000 0.316 349 V C -3.083 172.960 176.094 -0.086 0.000 1.125 349 V CA -3.252 59.016 62.300 -0.053 0.000 1.026 349 V CB 0.854 32.651 31.823 -0.043 0.000 1.080 349 V HN 0.503 nan 8.190 nan 0.000 0.444 350 P HA 0.248 nan 4.420 nan 0.000 0.267 350 P C -0.242 176.968 177.300 -0.151 0.000 1.205 350 P CA 0.569 63.453 63.100 -0.361 0.000 0.765 350 P CB -0.044 31.310 31.700 -0.578 0.000 0.828 351 N N -0.042 118.636 118.700 -0.037 0.000 2.741 351 N HA -0.187 4.553 4.740 -0.001 0.000 0.250 351 N C -0.180 175.338 175.510 0.013 0.000 1.115 351 N CA 0.848 53.914 53.050 0.027 0.000 0.724 351 N CB -1.514 36.983 38.487 0.016 0.000 1.090 351 N HN 0.563 nan 8.380 nan 0.000 0.558 352 D N 1.622 122.027 120.400 0.009 0.000 2.434 352 D HA 0.033 4.673 4.640 -0.001 0.000 0.252 352 D C -0.588 175.724 176.300 0.020 0.000 1.185 352 D CA -0.846 53.160 54.000 0.010 0.000 0.886 352 D CB 0.914 41.719 40.800 0.009 0.000 1.148 352 D HN 0.204 nan 8.370 nan 0.000 0.483 353 P HA -0.030 nan 4.420 nan 0.000 0.229 353 P C 0.103 177.418 177.300 0.025 0.000 1.160 353 P CA 0.477 63.590 63.100 0.021 0.000 0.777 353 P CB 0.543 32.254 31.700 0.019 0.000 0.814 354 K N 0.615 121.031 120.400 0.026 0.000 2.139 354 K HA 0.347 4.667 4.320 -0.001 0.000 0.243 354 K C 0.739 177.362 176.600 0.039 0.000 0.983 354 K CA -0.503 55.804 56.287 0.033 0.000 0.890 354 K CB 1.168 33.688 32.500 0.033 0.000 1.090 354 K HN 0.041 nan 8.250 nan 0.000 0.445 355 S N 0.004 115.736 115.700 0.052 0.000 2.617 355 S HA 0.220 4.689 4.470 -0.001 0.000 0.269 355 S C -1.834 172.813 174.600 0.077 0.000 1.292 355 S CA -0.972 57.265 58.200 0.062 0.000 1.010 355 S CB 0.896 64.139 63.200 0.072 0.000 0.944 355 S HN 0.232 nan 8.310 nan 0.000 0.536 356 P HA -0.134 nan 4.420 nan 0.000 0.217 356 P C 0.806 178.167 177.300 0.102 0.000 1.148 356 P CA 1.150 64.294 63.100 0.074 0.000 0.834 356 P CB -0.055 31.688 31.700 0.071 0.000 0.783 357 F N -1.341 118.610 119.950 0.002 0.000 2.512 357 F HA -0.038 4.489 4.527 -0.001 0.000 0.296 357 F C 1.782 177.586 175.800 0.007 0.000 1.110 357 F CA 0.826 58.829 58.000 0.005 0.000 1.446 357 F CB 0.071 39.073 39.000 0.005 0.000 1.092 357 F HN -0.278 nan 8.300 nan 0.000 0.554 358 V N -1.030 118.940 119.914 0.094 0.000 2.599 358 V HA 0.064 4.184 4.120 -0.001 0.000 0.237 358 V C 0.732 176.821 176.094 -0.008 0.000 1.081 358 V CA 1.002 63.323 62.300 0.036 0.000 1.107 358 V CB -0.532 31.339 31.823 0.080 0.000 0.808 358 V HN 0.438 nan 8.190 nan 0.000 0.486 359 T N -0.752 113.809 114.554 0.011 0.000 0.541 359 T HA -0.248 4.102 4.350 -0.001 0.000 0.774 359 T C 0.120 174.823 174.700 0.005 0.000 0.992 359 T CA 0.401 62.501 62.100 0.001 0.000 4.077 359 T CB -1.381 67.475 68.868 -0.021 0.000 2.303 359 T HN 0.386 nan 8.240 nan 0.000 0.398 360 S N 1.464 117.168 115.700 0.006 0.000 2.711 360 S HA 0.653 5.122 4.470 -0.001 0.000 0.247 360 S C 0.636 175.247 174.600 0.019 0.000 1.079 360 S CA -0.096 58.113 58.200 0.016 0.000 1.050 360 S CB 0.559 63.769 63.200 0.017 0.000 0.885 360 S HN 1.337 nan 8.310 nan 0.000 0.498 361 G N 1.498 110.302 108.800 0.007 0.000 2.550 361 G HA2 0.632 4.592 3.960 -0.001 0.000 0.293 361 G HA3 0.632 4.592 3.960 -0.001 0.000 0.293 361 G C -1.764 173.125 174.900 -0.018 0.000 1.402 361 G CA -0.791 44.313 45.100 0.007 0.000 0.784 361 G HN 0.348 nan 8.290 nan 0.000 0.482 362 I N -2.350 118.201 120.570 -0.031 0.000 2.730 362 I HA 0.844 5.014 4.170 -0.001 0.000 0.298 362 I C -0.671 175.364 176.117 -0.137 0.000 1.089 362 I CA -1.269 59.988 61.300 -0.072 0.000 1.041 362 I CB 2.621 40.587 38.000 -0.057 0.000 1.235 362 I HN 0.566 nan 8.210 nan 0.000 0.423 363 R N 3.831 124.230 120.500 -0.169 0.000 2.460 363 R HA 0.809 5.149 4.340 -0.001 0.000 0.303 363 R C -1.695 174.385 176.300 -0.367 0.000 0.968 363 R CA -0.554 55.392 56.100 -0.256 0.000 0.889 363 R CB 1.981 32.178 30.300 -0.172 0.000 1.123 363 R HN 0.687 nan 8.270 nan 0.000 0.455 364 V N 2.601 122.119 119.914 -0.659 0.000 2.656 364 V HA 0.699 4.819 4.120 -0.001 0.000 0.307 364 V C 0.111 175.797 176.094 -0.679 0.000 1.051 364 V CA -0.729 61.120 62.300 -0.752 0.000 0.893 364 V CB 1.954 33.066 31.823 -1.185 0.000 0.999 364 V HN 0.963 nan 8.190 nan 0.000 0.426 365 G N 0.804 109.385 108.800 -0.364 0.000 2.571 365 G HA2 0.552 4.512 3.960 -0.001 0.000 0.304 365 G HA3 0.552 4.512 3.960 -0.001 0.000 0.304 365 G C 0.319 175.153 174.900 -0.110 0.000 1.314 365 G CA 0.246 45.223 45.100 -0.205 0.000 0.975 365 G HN 0.779 nan 8.290 nan 0.000 0.485 366 T N -1.253 113.279 114.554 -0.036 0.000 3.040 366 T HA 0.222 4.572 4.350 -0.001 0.000 0.250 366 T C -0.806 173.882 174.700 -0.020 0.000 1.058 366 T CA -0.038 62.051 62.100 -0.019 0.000 0.988 366 T CB 0.205 69.082 68.868 0.014 0.000 0.993 366 T HN 0.232 nan 8.240 nan 0.000 0.519 367 P HA -0.090 nan 4.420 nan 0.000 0.216 367 P C 1.873 179.197 177.300 0.039 0.000 1.157 367 P CA 1.812 64.916 63.100 0.006 0.000 0.880 367 P CB -0.282 31.420 31.700 0.003 0.000 0.791 368 A N 0.026 122.794 122.820 -0.087 0.000 1.845 368 A HA -0.198 4.122 4.320 -0.001 0.000 0.215 368 A C 2.206 179.775 177.584 -0.025 0.000 1.195 368 A CA 2.119 54.037 52.037 -0.198 0.000 0.616 368 A CB -1.833 16.944 19.000 -0.371 0.000 0.832 368 A HN 0.309 nan 8.150 nan 0.000 0.443 369 I N -2.574 117.916 120.570 -0.134 0.000 2.361 369 I HA -0.161 4.009 4.170 -0.001 0.000 0.251 369 I C 2.051 178.093 176.117 -0.126 0.000 1.133 369 I CA 2.098 63.189 61.300 -0.349 0.000 1.413 369 I CB -1.119 36.500 38.000 -0.635 0.000 1.073 369 I HN 0.162 nan 8.210 nan 0.000 0.424 370 T N 1.220 115.796 114.554 0.036 0.000 2.737 370 T HA -0.162 4.188 4.350 -0.001 0.000 0.265 370 T C 1.966 176.850 174.700 0.306 0.000 1.038 370 T CA 1.857 64.052 62.100 0.159 0.000 1.144 370 T CB -0.355 68.560 68.868 0.079 0.000 0.866 370 T HN 0.436 nan 8.240 nan 0.000 0.434 371 R N 1.121 121.855 120.500 0.391 0.000 2.237 371 R HA 0.066 4.405 4.340 -0.001 0.000 0.219 371 R C 2.295 178.669 176.300 0.123 0.000 1.080 371 R CA 1.010 57.233 56.100 0.206 0.000 0.995 371 R CB -0.087 30.265 30.300 0.087 0.000 0.875 371 R HN 0.221 nan 8.270 nan 0.000 0.462 372 R N -1.174 119.414 120.500 0.147 0.000 2.276 372 R HA 0.054 4.394 4.340 -0.001 0.000 0.196 372 R C 0.585 177.027 176.300 0.237 0.000 0.961 372 R CA 0.947 57.110 56.100 0.106 0.000 1.024 372 R CB 0.405 30.719 30.300 0.024 0.000 0.940 372 R HN 0.446 nan 8.270 nan 0.000 0.480 373 G N -0.634 108.325 108.800 0.264 0.000 2.284 373 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.201 373 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.201 373 G C -0.090 174.992 174.900 0.304 0.000 0.998 373 G CA -0.397 44.921 45.100 0.364 0.000 0.651 373 G HN 0.119 nan 8.290 nan 0.000 0.489 374 F N 2.048 121.906 119.950 -0.152 0.000 2.595 374 F HA 0.557 5.083 4.527 -0.001 0.000 0.359 374 F C 1.181 176.927 175.800 -0.089 0.000 1.147 374 F CA 0.293 58.143 58.000 -0.251 0.000 1.341 374 F CB 0.603 39.474 39.000 -0.214 0.000 1.104 374 F HN 0.100 nan 8.300 nan 0.000 0.603 375 K N 1.123 121.545 120.400 0.035 0.000 2.283 375 K HA 0.276 4.595 4.320 -0.001 0.000 0.257 375 K C 0.821 177.416 176.600 -0.008 0.000 1.066 375 K CA -0.851 55.455 56.287 0.031 0.000 0.891 375 K CB 1.484 34.000 32.500 0.027 0.000 1.438 375 K HN 0.294 nan 8.250 nan 0.000 0.464 376 E N 0.765 120.961 120.200 -0.007 0.000 2.136 376 E HA -0.310 4.040 4.350 -0.001 0.000 0.202 376 E C 1.702 178.267 176.600 -0.059 0.000 1.019 376 E CA 2.275 58.661 56.400 -0.023 0.000 0.819 376 E CB -0.274 29.415 29.700 -0.019 0.000 0.739 376 E HN 0.615 nan 8.360 nan 0.000 0.458 377 A N 0.922 123.696 122.820 -0.075 0.000 1.858 377 A HA -0.253 4.067 4.320 -0.001 0.000 0.216 377 A C 2.038 179.509 177.584 -0.189 0.000 1.190 377 A CA 1.856 53.828 52.037 -0.109 0.000 0.617 377 A CB -0.543 18.405 19.000 -0.086 0.000 0.827 377 A HN 0.142 nan 8.150 nan 0.000 0.443 378 E N 0.112 120.150 120.200 -0.270 0.000 2.110 378 E HA -0.011 4.338 4.350 -0.001 0.000 0.193 378 E C 2.176 178.591 176.600 -0.308 0.000 0.988 378 E CA 1.331 57.441 56.400 -0.484 0.000 0.804 378 E CB -0.517 28.563 29.700 -1.033 0.000 0.745 378 E HN 0.580 nan 8.360 nan 0.000 0.458 379 A N 1.005 123.765 122.820 -0.100 0.000 1.930 379 A HA -0.204 4.115 4.320 -0.001 0.000 0.217 379 A C 1.909 179.454 177.584 -0.065 0.000 1.175 379 A CA 1.520 53.566 52.037 0.015 0.000 0.627 379 A CB -0.281 18.757 19.000 0.063 0.000 0.815 379 A HN 0.089 nan 8.150 nan 0.000 0.443 380 K N -0.658 119.676 120.400 -0.110 0.000 2.057 380 K HA -0.156 4.164 4.320 -0.001 0.000 0.206 380 K C 2.098 178.558 176.600 -0.233 0.000 1.050 380 K CA 1.483 57.697 56.287 -0.121 0.000 0.935 380 K CB -0.102 32.335 32.500 -0.105 0.000 0.715 380 K HN 0.683 nan 8.250 nan 0.000 0.439 381 E N 0.902 120.886 120.200 -0.359 0.000 2.106 381 E HA -0.190 4.159 4.350 -0.001 0.000 0.192 381 E C 1.971 177.928 176.600 -1.071 0.000 0.984 381 E CA 0.618 56.630 56.400 -0.647 0.000 0.806 381 E CB 0.073 29.378 29.700 -0.658 0.000 0.750 381 E HN 0.088 nan 8.360 nan 0.000 0.458 382 L N 0.815 121.585 121.223 -0.755 0.000 2.027 382 L HA -0.040 4.300 4.340 -0.001 0.000 0.206 382 L C 2.250 179.016 176.870 -0.174 0.000 1.074 382 L CA 2.232 56.782 54.840 -0.483 0.000 0.745 382 L CB -0.953 41.076 42.059 -0.049 0.000 0.898 382 L HN 0.153 nan 8.230 nan 0.000 0.433 383 A N -0.322 122.450 122.820 -0.079 0.000 1.917 383 A HA -0.149 4.171 4.320 -0.001 0.000 0.219 383 A C 2.349 179.810 177.584 -0.205 0.000 1.182 383 A CA 1.836 53.897 52.037 0.041 0.000 0.633 383 A CB -1.685 17.403 19.000 0.147 0.000 0.819 383 A HN 0.566 nan 8.150 nan 0.000 0.448 384 G N -1.326 107.331 108.800 -0.238 0.000 2.421 384 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.216 384 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.216 384 G C 1.345 176.226 174.900 -0.030 0.000 1.171 384 G CA 0.990 45.976 45.100 -0.191 0.000 0.775 384 G HN 0.593 nan 8.290 nan 0.000 0.543 385 W N 0.771 122.036 121.300 -0.059 0.000 2.342 385 W HA 0.037 4.696 4.660 -0.001 0.000 0.297 385 W C 2.745 179.223 176.519 -0.068 0.000 1.213 385 W CA 0.668 57.986 57.345 -0.044 0.000 1.251 385 W CB -1.099 28.356 29.460 -0.008 0.000 1.136 385 W HN 0.223 nan 8.180 nan 0.000 0.526 386 M N -0.464 119.218 119.600 0.137 0.000 2.065 386 M HA -0.240 4.240 4.480 -0.001 0.000 0.259 386 M C 2.152 178.375 176.300 -0.128 0.000 1.069 386 M CA 1.914 57.232 55.300 0.031 0.000 1.110 386 M CB -1.091 31.559 32.600 0.083 0.000 1.328 386 M HN -0.139 nan 8.290 nan 0.000 0.405 387 C N 0.580 119.685 119.300 -0.325 0.000 2.422 387 C HA -0.138 4.322 4.460 -0.001 0.000 0.279 387 C C 2.193 177.141 174.990 -0.069 0.000 1.305 387 C CA 0.647 59.448 59.018 -0.362 0.000 1.757 387 C CB -1.194 26.302 27.740 -0.406 0.000 1.962 387 C HN 0.540 nan 8.230 nan 0.000 0.499 388 D N 0.709 121.103 120.400 -0.009 0.000 2.117 388 D HA -0.097 4.542 4.640 -0.001 0.000 0.197 388 D C 2.203 178.525 176.300 0.037 0.000 0.987 388 D CA 1.117 55.142 54.000 0.042 0.000 0.829 388 D CB -0.419 40.429 40.800 0.081 0.000 0.961 388 D HN 0.297 nan 8.370 nan 0.000 0.460 389 V N 1.229 121.161 119.914 0.030 0.000 2.307 389 V HA -0.202 3.917 4.120 -0.001 0.000 0.245 389 V C 2.697 178.813 176.094 0.036 0.000 1.045 389 V CA 1.101 63.417 62.300 0.026 0.000 1.024 389 V CB -0.513 31.325 31.823 0.024 0.000 0.651 389 V HN 0.181 nan 8.190 nan 0.000 0.449 390 L N -0.215 121.026 121.223 0.030 0.000 2.042 390 L HA -0.213 4.127 4.340 -0.001 0.000 0.210 390 L C 2.433 179.390 176.870 0.145 0.000 1.076 390 L CA 1.658 56.548 54.840 0.084 0.000 0.749 390 L CB -0.872 41.215 42.059 0.046 0.000 0.893 390 L HN 0.347 nan 8.230 nan 0.000 0.432 391 D N 0.002 120.493 120.400 0.151 0.000 2.123 391 D HA -0.117 4.523 4.640 -0.001 0.000 0.196 391 D C 1.116 177.458 176.300 0.071 0.000 0.992 391 D CA 1.396 55.471 54.000 0.126 0.000 0.833 391 D CB 0.005 40.865 40.800 0.101 0.000 0.954 391 D HN 0.227 nan 8.370 nan 0.000 0.455 392 S N 0.182 115.915 115.700 0.054 0.000 2.312 392 S HA 0.262 4.732 4.470 -0.001 0.000 0.211 392 S C 1.231 175.850 174.600 0.031 0.000 1.315 392 S CA -0.365 57.856 58.200 0.035 0.000 1.267 392 S CB 0.470 63.685 63.200 0.024 0.000 1.072 392 S HN 0.169 nan 8.310 nan 0.000 0.490 393 I N 1.652 122.246 120.570 0.040 0.000 2.657 393 I HA -0.195 3.975 4.170 -0.001 0.000 0.261 393 I C 1.309 177.439 176.117 0.023 0.000 1.212 393 I CA 1.289 62.609 61.300 0.034 0.000 1.453 393 I CB 0.022 38.048 38.000 0.044 0.000 1.092 393 I HN 0.484 nan 8.210 nan 0.000 0.452 394 N N -0.450 118.262 118.700 0.021 0.000 2.236 394 N HA -0.029 4.710 4.740 -0.001 0.000 0.196 394 N C -0.024 175.492 175.510 0.010 0.000 1.114 394 N CA -0.166 52.893 53.050 0.015 0.000 0.859 394 N CB 0.375 38.871 38.487 0.015 0.000 0.982 394 N HN 0.176 nan 8.380 nan 0.000 0.493 395 D N 1.324 121.729 120.400 0.010 0.000 2.393 395 D HA 0.055 4.694 4.640 -0.001 0.000 0.232 395 D C 0.976 177.276 176.300 -0.001 0.000 1.192 395 D CA 0.183 54.186 54.000 0.005 0.000 0.882 395 D CB 0.932 41.735 40.800 0.005 0.000 1.038 395 D HN 0.353 nan 8.370 nan 0.000 0.499 396 E N 2.796 122.995 120.200 -0.002 0.000 2.265 396 E HA -0.126 4.223 4.350 -0.001 0.000 0.196 396 E C 1.789 178.381 176.600 -0.013 0.000 0.996 396 E CA 1.306 57.702 56.400 -0.006 0.000 0.832 396 E CB -0.248 29.449 29.700 -0.004 0.000 0.756 396 E HN 0.603 nan 8.360 nan 0.000 0.491 397 A N 0.114 122.927 122.820 -0.012 0.000 1.970 397 A HA 0.157 4.477 4.320 -0.001 0.000 0.216 397 A C 2.647 180.216 177.584 -0.025 0.000 1.170 397 A CA 1.355 53.382 52.037 -0.017 0.000 0.645 397 A CB -0.134 18.858 19.000 -0.013 0.000 0.816 397 A HN 0.410 nan 8.150 nan 0.000 0.447 398 V N 0.306 120.209 119.914 -0.019 0.000 2.323 398 V HA -0.224 3.896 4.120 -0.001 0.000 0.244 398 V C 2.399 178.470 176.094 -0.038 0.000 1.041 398 V CA 1.860 64.146 62.300 -0.024 0.000 1.025 398 V CB -0.638 31.181 31.823 -0.007 0.000 0.656 398 V HN 0.561 nan 8.190 nan 0.000 0.451 399 I N -0.364 120.188 120.570 -0.029 0.000 2.226 399 I HA -0.197 3.973 4.170 -0.001 0.000 0.245 399 I C 2.702 178.785 176.117 -0.057 0.000 1.100 399 I CA 1.336 62.614 61.300 -0.037 0.000 1.374 399 I CB -0.410 37.576 38.000 -0.023 0.000 1.057 399 I HN 0.312 nan 8.210 nan 0.000 0.413 400 E N 0.687 120.858 120.200 -0.049 0.000 2.077 400 E HA -0.233 4.116 4.350 -0.001 0.000 0.193 400 E C 2.224 178.775 176.600 -0.081 0.000 0.989 400 E CA 1.076 57.443 56.400 -0.055 0.000 0.800 400 E CB -0.238 29.439 29.700 -0.039 0.000 0.746 400 E HN 0.393 nan 8.360 nan 0.000 0.452 401 R N 0.276 120.723 120.500 -0.089 0.000 2.096 401 R HA -0.081 4.258 4.340 -0.001 0.000 0.235 401 R C 2.255 178.431 176.300 -0.205 0.000 1.127 401 R CA 0.852 56.880 56.100 -0.120 0.000 0.968 401 R CB -0.009 30.233 30.300 -0.096 0.000 0.861 401 R HN 0.100 nan 8.270 nan 0.000 0.440 402 I N 1.097 121.536 120.570 -0.218 0.000 2.353 402 I HA -0.216 3.954 4.170 -0.001 0.000 0.248 402 I C 2.323 178.249 176.117 -0.319 0.000 1.119 402 I CA 1.120 62.209 61.300 -0.352 0.000 1.417 402 I CB -0.938 36.932 38.000 -0.217 0.000 1.078 402 I HN 0.258 nan 8.210 nan 0.000 0.421 403 K N 1.289 121.579 120.400 -0.184 0.000 2.032 403 K HA -0.184 4.135 4.320 -0.001 0.000 0.209 403 K C 2.131 178.644 176.600 -0.145 0.000 1.048 403 K CA 1.809 58.016 56.287 -0.133 0.000 0.927 403 K CB -0.352 32.098 32.500 -0.083 0.000 0.712 403 K HN 0.347 nan 8.250 nan 0.000 0.441 404 G N 1.513 110.222 108.800 -0.153 0.000 2.446 404 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.217 404 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.217 404 G C 1.351 176.139 174.900 -0.187 0.000 1.168 404 G CA 0.934 45.954 45.100 -0.133 0.000 0.771 404 G HN 0.328 nan 8.290 nan 0.000 0.551 405 K N -0.016 120.171 120.400 -0.355 0.000 2.147 405 K HA -0.012 4.308 4.320 -0.001 0.000 0.205 405 K C 2.539 178.876 176.600 -0.439 0.000 1.049 405 K CA 0.959 56.923 56.287 -0.537 0.000 0.936 405 K CB -0.184 31.604 32.500 -1.185 0.000 0.722 405 K HN 0.282 nan 8.250 nan 0.000 0.446 406 V N 1.787 121.503 119.914 -0.331 0.000 2.255 406 V HA -0.185 3.934 4.120 -0.001 0.000 0.243 406 V C 2.209 178.338 176.094 0.058 0.000 1.038 406 V CA 1.358 63.635 62.300 -0.038 0.000 1.008 406 V CB -0.394 31.422 31.823 -0.012 0.000 0.645 406 V HN 0.256 nan 8.190 nan 0.000 0.449 407 L N 0.427 121.658 121.223 0.013 0.000 2.261 407 L HA -0.202 4.138 4.340 -0.001 0.000 0.216 407 L C 2.295 179.203 176.870 0.064 0.000 1.114 407 L CA 1.557 56.427 54.840 0.050 0.000 0.777 407 L CB -0.548 41.525 42.059 0.024 0.000 0.910 407 L HN 0.472 nan 8.230 nan 0.000 0.440 408 D N 0.634 121.061 120.400 0.045 0.000 2.107 408 D HA -0.169 4.470 4.640 -0.001 0.000 0.204 408 D C 2.138 178.523 176.300 0.142 0.000 0.978 408 D CA 1.055 55.094 54.000 0.066 0.000 0.852 408 D CB 0.013 40.831 40.800 0.029 0.000 1.008 408 D HN 0.241 nan 8.370 nan 0.000 0.458 409 I N 0.148 120.846 120.570 0.213 0.000 2.454 409 I HA -0.270 3.899 4.170 -0.001 0.000 0.254 409 I C 2.042 178.404 176.117 0.408 0.000 1.156 409 I CA 0.590 62.090 61.300 0.332 0.000 1.433 409 I CB 0.071 38.312 38.000 0.402 0.000 1.082 409 I HN 0.162 nan 8.210 nan 0.000 0.432 410 C N 0.528 120.019 119.300 0.317 0.000 2.446 410 C HA -0.105 4.355 4.460 -0.001 0.000 0.277 410 C C 3.068 178.192 174.990 0.223 0.000 1.275 410 C CA 1.007 60.197 59.018 0.287 0.000 1.727 410 C CB -1.224 26.637 27.740 0.201 0.000 2.010 410 C HN 0.675 nan 8.230 nan 0.000 0.486 411 A N 0.501 123.417 122.820 0.159 0.000 1.933 411 A HA -0.187 4.133 4.320 -0.001 0.000 0.218 411 A C 2.140 179.771 177.584 0.079 0.000 1.175 411 A CA 1.473 53.569 52.037 0.099 0.000 0.628 411 A CB -0.464 18.577 19.000 0.067 0.000 0.814 411 A HN 0.661 nan 8.150 nan 0.000 0.444 412 R N -2.225 118.334 120.500 0.098 0.000 2.148 412 R HA -0.048 4.292 4.340 -0.001 0.000 0.227 412 R C -0.390 175.787 176.300 -0.206 0.000 1.103 412 R CA 0.903 56.968 56.100 -0.059 0.000 0.983 412 R CB -0.132 30.131 30.300 -0.061 0.000 0.874 412 R HN 0.597 nan 8.270 nan 0.000 0.451 413 Y N 0.858 121.234 120.300 0.127 0.000 2.748 413 Y HA 0.298 4.847 4.550 -0.001 0.000 0.359 413 Y C -2.218 173.736 175.900 0.090 0.000 1.030 413 Y CA -3.379 54.810 58.100 0.149 0.000 1.169 413 Y CB 0.703 39.355 38.460 0.322 0.000 1.127 413 Y HN -0.070 nan 8.280 nan 0.000 0.644 414 P HA 0.035 nan 4.420 nan 0.000 0.271 414 P C 0.804 178.069 177.300 -0.057 0.000 1.216 414 P CA 0.146 63.266 63.100 0.033 0.000 0.776 414 P CB 2.589 34.299 31.700 0.017 0.000 0.881 415 V N 2.732 122.527 119.914 -0.199 0.000 2.239 415 V HA -0.160 3.960 4.120 -0.001 0.000 0.242 415 V C 0.677 176.440 176.094 -0.551 0.000 1.038 415 V CA 1.712 63.698 62.300 -0.523 0.000 1.002 415 V CB -1.179 30.098 31.823 -0.911 0.000 0.641 415 V HN 0.448 nan 8.190 nan 0.000 0.449 416 Y N 0.495 120.708 120.300 -0.145 0.000 2.717 416 Y HA 0.689 5.238 4.550 -0.000 0.000 0.329 416 Y C 0.491 176.363 175.900 -0.047 0.000 1.017 416 Y CA -0.666 57.383 58.100 -0.085 0.000 1.275 416 Y CB 0.131 38.542 38.460 -0.080 0.000 1.109 416 Y HN 0.196 nan 8.280 nan 0.000 0.511 417 A N 0.000 122.862 122.820 0.069 0.000 2.254 417 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 417 A CA 0.000 52.066 52.037 0.049 0.000 0.836 417 A CB 0.000 19.014 19.000 0.023 0.000 0.831 417 A HN 0.000 nan 8.150 nan 0.000 0.486