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 2cd8_1_A DATA FIRST_RESID 14 DATA SEQUENCE VLDLGALGQD FAADPYPTYA RLRAEGPAHR VRTPEGDEVW LVVGYDRARA DATA SEQUENCE VLADPRFSKD WRNSTTPLTE AEAALNHNML ESDPPRHTRL RKLVAREFTM DATA SEQUENCE RRVELLRPRV QEIVDGLVDA MLAAPDGRAD LMESLAWPLP ITVISELLGV DATA SEQUENCE PEPDRAAFRV WTDAFVFPDD PAQAQTAMAE MSGYLSRLID SKRGQDGEDL DATA SEQUENCE LSALVRTSDE DGSRLTSEEL LGMAHILLVA GHETTVNLIA NGMYALLSHP DATA SEQUENCE DQLAALRADM TLLDGAVEEM LRYEGPVESA TYRFPVEPVD LDGTVIPAGD DATA SEQUENCE TVLVVLADAH RTPERFPDPH RFDIRRDTAG HLAFGHGIHF CIGAPLARLE DATA SEQUENCE ARIAVRALLE RCPDLALDVS PGELVWYPNP MIRGLKALPI RW 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 14 V HA 0.000 nan 4.120 nan 0.000 0.244 14 V C 0.000 176.032 176.094 -0.103 0.000 1.182 14 V CA 0.000 62.236 62.300 -0.107 0.000 1.235 14 V CB 0.000 31.764 31.823 -0.099 0.000 1.184 15 L N 2.170 123.320 121.223 -0.123 0.000 2.549 15 L HA 0.737 5.075 4.340 -0.003 0.000 0.259 15 L C -1.568 175.210 176.870 -0.154 0.000 0.934 15 L CA 0.051 54.807 54.840 -0.140 0.000 0.865 15 L CB 2.249 44.211 42.059 -0.162 0.000 1.352 15 L HN 0.789 nan 8.230 nan 0.000 0.410 16 D N 4.710 125.017 120.400 -0.155 0.000 2.493 16 D HA 0.261 4.899 4.640 -0.003 0.000 0.235 16 D C 1.219 177.393 176.300 -0.210 0.000 1.117 16 D CA -0.180 53.732 54.000 -0.146 0.000 0.930 16 D CB 0.703 41.442 40.800 -0.102 0.000 1.010 16 D HN 0.737 nan 8.370 nan 0.000 0.514 17 L N 2.232 123.282 121.223 -0.287 0.000 2.197 17 L HA -0.158 4.180 4.340 -0.003 0.000 0.215 17 L C 2.415 179.130 176.870 -0.258 0.000 1.095 17 L CA 1.428 55.972 54.840 -0.494 0.000 0.764 17 L CB -0.311 41.454 42.059 -0.491 0.000 0.897 17 L HN 0.393 nan 8.230 nan 0.000 0.436 18 G N -0.226 108.501 108.800 -0.122 0.000 2.433 18 G HA2 -0.237 3.721 3.960 -0.003 0.000 0.216 18 G HA3 -0.237 3.721 3.960 -0.003 0.000 0.216 18 G C 1.792 176.663 174.900 -0.048 0.000 1.186 18 G CA 0.763 45.837 45.100 -0.043 0.000 0.779 18 G HN 0.467 nan 8.290 nan 0.000 0.543 19 A N 0.568 123.344 122.820 -0.073 0.000 1.978 19 A HA 0.037 4.355 4.320 -0.003 0.000 0.220 19 A C 2.394 179.941 177.584 -0.062 0.000 1.170 19 A CA 1.292 53.292 52.037 -0.061 0.000 0.636 19 A CB -0.399 18.559 19.000 -0.070 0.000 0.810 19 A HN 0.378 nan 8.150 nan 0.000 0.448 20 L N -1.276 119.886 121.223 -0.101 0.000 2.191 20 L HA 0.024 4.362 4.340 -0.003 0.000 0.212 20 L C 1.690 178.567 176.870 0.012 0.000 1.103 20 L CA 0.532 55.327 54.840 -0.075 0.000 0.769 20 L CB -1.211 40.736 42.059 -0.187 0.000 0.908 20 L HN 0.697 nan 8.230 nan 0.000 0.438 21 G N -0.238 108.578 108.800 0.027 0.000 2.698 21 G HA2 -0.429 3.529 3.960 -0.003 0.000 0.233 21 G HA3 -0.429 3.529 3.960 -0.003 0.000 0.233 21 G C 0.296 175.242 174.900 0.077 0.000 1.352 21 G CA 0.386 45.513 45.100 0.045 0.000 0.879 21 G HN 0.223 nan 8.290 nan 0.000 0.567 22 Q N -0.220 119.606 119.800 0.043 0.000 2.368 22 Q HA -0.044 4.294 4.340 -0.003 0.000 0.210 22 Q C 1.978 177.986 176.000 0.013 0.000 0.982 22 Q CA 2.686 58.510 55.803 0.034 0.000 0.884 22 Q CB -0.256 28.496 28.738 0.023 0.000 0.933 22 Q HN 0.624 nan 8.270 nan 0.000 0.460 23 D N -0.850 119.561 120.400 0.019 0.000 2.117 23 D HA -0.139 4.500 4.640 -0.003 0.000 0.198 23 D C 1.449 177.725 176.300 -0.040 0.000 0.982 23 D CA 0.995 54.990 54.000 -0.009 0.000 0.828 23 D CB -0.276 40.528 40.800 0.005 0.000 0.967 23 D HN 0.371 nan 8.370 nan 0.000 0.464 24 F N 2.026 121.893 119.950 -0.139 0.000 2.163 24 F HA -0.002 4.523 4.527 -0.003 0.000 0.297 24 F C 2.229 177.879 175.800 -0.250 0.000 1.094 24 F CA 1.225 59.102 58.000 -0.204 0.000 1.290 24 F CB -0.230 38.661 39.000 -0.182 0.000 1.017 24 F HN -0.104 nan 8.300 nan 0.000 0.483 25 A N 0.801 123.447 122.820 -0.290 0.000 1.883 25 A HA -0.092 4.226 4.320 -0.003 0.000 0.217 25 A C 2.427 179.687 177.584 -0.540 0.000 1.186 25 A CA 1.991 53.808 52.037 -0.366 0.000 0.624 25 A CB -1.628 17.349 19.000 -0.038 0.000 0.822 25 A HN 0.527 nan 8.150 nan 0.000 0.444 26 A N -1.470 121.062 122.820 -0.481 0.000 1.969 26 A HA 0.050 4.369 4.320 -0.003 0.000 0.218 26 A C 0.953 177.983 177.584 -0.923 0.000 1.169 26 A CA 1.766 53.267 52.037 -0.893 0.000 0.635 26 A CB -0.144 18.674 19.000 -0.303 0.000 0.810 26 A HN 0.439 nan 8.150 nan 0.000 0.445 27 D N -2.318 117.703 120.400 -0.632 0.000 2.586 27 D HA 0.227 4.865 4.640 -0.003 0.000 0.254 27 D C -2.162 173.785 176.300 -0.588 0.000 1.248 27 D CA -1.108 52.580 54.000 -0.520 0.000 0.843 27 D CB 1.201 41.850 40.800 -0.252 0.000 1.332 27 D HN 0.059 nan 8.370 nan 0.000 0.523 28 P HA -0.080 nan 4.420 nan 0.000 0.231 28 P C 1.072 177.893 177.300 -0.798 0.000 1.168 28 P CA 0.350 62.705 63.100 -1.243 0.000 0.779 28 P CB 0.190 30.785 31.700 -1.843 0.000 0.844 29 Y N 1.383 121.495 120.300 -0.313 0.000 2.114 29 Y HA -0.168 4.380 4.550 -0.003 0.000 0.282 29 Y C -0.064 175.827 175.900 -0.016 0.000 1.165 29 Y CA 1.539 59.604 58.100 -0.058 0.000 1.148 29 Y CB -2.649 35.811 38.460 -0.000 0.000 0.972 29 Y HN 0.157 nan 8.280 nan 0.000 0.504 30 P HA -0.163 nan 4.420 nan 0.000 0.215 30 P C 1.547 178.876 177.300 0.048 0.000 1.157 30 P CA 2.459 65.596 63.100 0.060 0.000 0.868 30 P CB -0.167 31.539 31.700 0.009 0.000 0.788 31 T N -1.371 113.178 114.554 -0.009 0.000 2.635 31 T HA -0.235 4.113 4.350 -0.003 0.000 0.267 31 T C 1.643 176.378 174.700 0.058 0.000 1.040 31 T CA 1.616 63.708 62.100 -0.014 0.000 1.156 31 T CB -1.361 67.505 68.868 -0.003 0.000 0.863 31 T HN 0.207 nan 8.240 nan 0.000 0.430 32 Y N 1.166 121.549 120.300 0.137 0.000 2.207 32 Y HA -0.108 4.441 4.550 -0.003 0.000 0.287 32 Y C 2.892 178.854 175.900 0.103 0.000 1.156 32 Y CA 0.360 58.531 58.100 0.119 0.000 1.182 32 Y CB -0.366 38.178 38.460 0.140 0.000 0.979 32 Y HN 0.224 nan 8.280 nan 0.000 0.521 33 A N 0.439 123.420 122.820 0.269 0.000 1.898 33 A HA -0.207 4.111 4.320 -0.003 0.000 0.216 33 A C 2.184 179.842 177.584 0.124 0.000 1.181 33 A CA 1.572 53.727 52.037 0.197 0.000 0.620 33 A CB -0.692 18.425 19.000 0.195 0.000 0.819 33 A HN 0.410 nan 8.150 nan 0.000 0.442 34 R N -0.335 120.214 120.500 0.081 0.000 2.091 34 R HA -0.092 4.246 4.340 -0.003 0.000 0.238 34 R C 1.963 178.256 176.300 -0.011 0.000 1.136 34 R CA 1.597 57.714 56.100 0.029 0.000 0.959 34 R CB -0.391 29.908 30.300 -0.000 0.000 0.856 34 R HN 0.539 nan 8.270 nan 0.000 0.437 35 L N 0.043 121.236 121.223 -0.051 0.000 2.056 35 L HA -0.136 4.202 4.340 -0.003 0.000 0.207 35 L C 2.844 179.711 176.870 -0.005 0.000 1.078 35 L CA 1.292 55.974 54.840 -0.263 0.000 0.749 35 L CB -0.502 41.306 42.059 -0.418 0.000 0.901 35 L HN 0.248 nan 8.230 nan 0.000 0.433 36 R N 0.463 121.050 120.500 0.145 0.000 2.200 36 R HA -0.166 4.172 4.340 -0.003 0.000 0.234 36 R C 2.023 178.414 176.300 0.151 0.000 1.127 36 R CA 1.237 57.457 56.100 0.200 0.000 0.989 36 R CB -0.087 30.318 30.300 0.174 0.000 0.869 36 R HN 0.366 nan 8.270 nan 0.000 0.459 37 A N -0.111 122.772 122.820 0.106 0.000 2.123 37 A HA -0.046 4.272 4.320 -0.003 0.000 0.214 37 A C 1.639 179.274 177.584 0.085 0.000 1.152 37 A CA 0.683 52.772 52.037 0.086 0.000 0.728 37 A CB 0.026 19.066 19.000 0.065 0.000 0.814 37 A HN 0.404 nan 8.150 nan 0.000 0.464 38 E N -0.959 119.300 120.200 0.099 0.000 2.057 38 E HA 0.315 4.663 4.350 -0.003 0.000 0.191 38 E C 1.055 177.771 176.600 0.193 0.000 0.959 38 E CA 0.557 57.028 56.400 0.119 0.000 0.828 38 E CB 0.230 29.980 29.700 0.083 0.000 0.800 38 E HN 0.498 nan 8.360 nan 0.000 0.460 39 G N -0.588 108.427 108.800 0.358 0.000 2.687 39 G HA2 0.238 4.196 3.960 -0.003 0.000 0.291 39 G HA3 0.238 4.196 3.960 -0.003 0.000 0.291 39 G C -2.539 172.464 174.900 0.172 0.000 1.420 39 G CA -0.808 44.445 45.100 0.254 0.000 0.796 39 G HN -0.126 nan 8.290 nan 0.000 0.485 40 P HA 0.292 nan 4.420 nan 0.000 0.245 40 P C 0.226 177.396 177.300 -0.217 0.000 1.203 40 P CA 0.649 63.716 63.100 -0.054 0.000 0.792 40 P CB 1.013 32.694 31.700 -0.031 0.000 0.997 41 A N 0.246 122.770 122.820 -0.493 0.000 2.486 41 A HA 0.730 5.048 4.320 -0.003 0.000 0.300 41 A C -1.222 175.959 177.584 -0.672 0.000 1.048 41 A CA -0.499 51.313 52.037 -0.375 0.000 0.696 41 A CB 1.145 20.111 19.000 -0.055 0.000 1.278 41 A HN 0.081 nan 8.150 nan 0.000 0.405 42 H N 1.078 120.337 119.070 0.314 0.000 3.026 42 H HA 0.297 4.851 4.556 -0.003 0.000 0.352 42 H C -0.734 174.482 175.328 -0.186 0.000 1.090 42 H CA -0.668 55.442 56.048 0.103 0.000 1.268 42 H CB 1.438 31.228 29.762 0.048 0.000 1.816 42 H HN 0.875 nan 8.280 nan 0.000 0.518 43 R N 1.298 121.493 120.500 -0.509 0.000 2.288 43 R HA 0.446 4.784 4.340 -0.003 0.000 0.330 43 R C 0.120 176.198 176.300 -0.370 0.000 1.069 43 R CA -0.476 55.128 56.100 -0.826 0.000 0.941 43 R CB 0.144 29.830 30.300 -1.023 0.000 0.998 43 R HN 0.272 nan 8.270 nan 0.000 0.452 44 V N 0.392 120.141 119.914 -0.274 0.000 3.158 44 V HA 0.678 4.796 4.120 -0.003 0.000 0.315 44 V C -0.567 175.437 176.094 -0.150 0.000 1.148 44 V CA -1.524 60.675 62.300 -0.168 0.000 1.042 44 V CB 1.983 33.747 31.823 -0.098 0.000 1.101 44 V HN 0.850 nan 8.190 nan 0.000 0.448 45 R N 1.359 121.788 120.500 -0.118 0.000 2.409 45 R HA 0.593 4.931 4.340 -0.003 0.000 0.313 45 R C 0.102 176.366 176.300 -0.060 0.000 0.953 45 R CA 0.314 56.364 56.100 -0.083 0.000 0.849 45 R CB 1.317 31.570 30.300 -0.078 0.000 1.171 45 R HN 1.191 nan 8.270 nan 0.000 0.458 46 T N 1.780 116.325 114.554 -0.015 0.000 2.802 46 T HA 0.203 4.551 4.350 -0.003 0.000 0.305 46 T C -1.652 173.067 174.700 0.032 0.000 1.053 46 T CA -1.299 60.818 62.100 0.028 0.000 1.058 46 T CB 0.890 69.807 68.868 0.082 0.000 0.988 46 T HN 0.402 nan 8.240 nan 0.000 0.539 47 P HA -0.085 nan 4.420 nan 0.000 0.217 47 P C 1.238 178.575 177.300 0.061 0.000 1.148 47 P CA 1.002 64.139 63.100 0.062 0.000 0.828 47 P CB 0.084 31.847 31.700 0.107 0.000 0.783 48 E N -1.827 118.421 120.200 0.079 0.000 2.122 48 E HA 0.158 4.506 4.350 -0.003 0.000 0.190 48 E C 1.506 178.142 176.600 0.060 0.000 0.977 48 E CA 1.249 57.696 56.400 0.078 0.000 0.820 48 E CB -0.596 29.166 29.700 0.102 0.000 0.770 48 E HN 0.210 nan 8.360 nan 0.000 0.462 49 G N 0.454 109.287 108.800 0.055 0.000 2.215 49 G HA2 -0.109 3.849 3.960 -0.003 0.000 0.187 49 G HA3 -0.109 3.849 3.960 -0.003 0.000 0.187 49 G C -0.859 174.067 174.900 0.043 0.000 1.039 49 G CA -0.442 44.680 45.100 0.037 0.000 0.771 49 G HN 0.042 nan 8.290 nan 0.000 0.507 50 D N 1.145 121.580 120.400 0.059 0.000 2.198 50 D HA 0.349 4.987 4.640 -0.003 0.000 0.245 50 D C 0.033 176.333 176.300 -0.001 0.000 1.079 50 D CA 0.053 54.090 54.000 0.062 0.000 0.854 50 D CB 1.457 42.334 40.800 0.129 0.000 1.148 50 D HN 0.368 nan 8.370 nan 0.000 0.456 51 E N 1.314 121.500 120.200 -0.023 0.000 2.089 51 E HA 0.337 4.685 4.350 -0.003 0.000 0.284 51 E C -0.041 176.485 176.600 -0.124 0.000 1.023 51 E CA -0.536 55.812 56.400 -0.087 0.000 0.819 51 E CB 1.518 31.169 29.700 -0.082 0.000 1.076 51 E HN 0.276 nan 8.360 nan 0.000 0.396 52 V N 0.417 120.222 119.914 -0.182 0.000 3.105 52 V HA 0.628 4.746 4.120 -0.003 0.000 0.311 52 V C -1.576 174.338 176.094 -0.300 0.000 1.287 52 V CA -1.073 61.115 62.300 -0.185 0.000 1.066 52 V CB 1.305 33.025 31.823 -0.172 0.000 1.105 52 V HN 0.562 nan 8.190 nan 0.000 0.462 53 W N 0.624 121.873 121.300 -0.085 0.000 2.520 53 W HA 0.826 5.484 4.660 -0.003 0.000 0.323 53 W C -0.575 175.896 176.519 -0.080 0.000 1.062 53 W CA -0.514 56.794 57.345 -0.062 0.000 1.215 53 W CB 1.599 31.022 29.460 -0.062 0.000 1.340 53 W HN 0.544 nan 8.180 nan 0.000 0.516 54 L N 3.375 124.694 121.223 0.161 0.000 2.317 54 L HA 0.634 4.972 4.340 -0.003 0.000 0.281 54 L C -0.460 176.441 176.870 0.051 0.000 1.024 54 L CA -1.326 53.561 54.840 0.078 0.000 0.810 54 L CB 1.255 43.382 42.059 0.114 0.000 1.240 54 L HN 0.013 nan 8.230 nan 0.000 0.427 55 V N 3.915 123.804 119.914 -0.042 0.000 2.357 55 V HA 0.410 4.529 4.120 -0.003 0.000 0.284 55 V C 0.100 176.149 176.094 -0.075 0.000 1.018 55 V CA -0.560 61.690 62.300 -0.084 0.000 0.841 55 V CB 1.767 33.484 31.823 -0.176 0.000 0.991 55 V HN 0.549 nan 8.190 nan 0.000 0.437 56 V N 1.683 121.593 119.914 -0.007 0.000 3.019 56 V HA 1.096 5.214 4.120 -0.003 0.000 0.317 56 V C 0.246 176.366 176.094 0.043 0.000 1.094 56 V CA -0.455 61.861 62.300 0.026 0.000 1.000 56 V CB 1.336 33.239 31.823 0.133 0.000 1.060 56 V HN 1.631 nan 8.190 nan 0.000 0.443 57 G N 0.380 109.224 108.800 0.073 0.000 3.436 57 G HA2 -0.200 3.758 3.960 -0.003 0.000 0.685 57 G HA3 -0.200 3.758 3.960 -0.003 0.000 0.685 57 G C -0.504 174.452 174.900 0.095 0.000 1.039 57 G CA 0.259 45.422 45.100 0.105 0.000 0.879 57 G HN 1.899 nan 8.290 nan 0.000 0.478 58 Y N 1.903 122.238 120.300 0.059 0.000 1.929 58 Y HA -0.352 4.196 4.550 -0.003 0.000 0.247 58 Y C 2.503 178.415 175.900 0.020 0.000 1.176 58 Y CA 2.983 61.122 58.100 0.066 0.000 1.075 58 Y CB -0.140 38.389 38.460 0.115 0.000 0.907 58 Y HN 0.668 nan 8.280 nan 0.000 0.499 59 D N -0.504 119.887 120.400 -0.015 0.000 2.133 59 D HA -0.222 4.416 4.640 -0.003 0.000 0.192 59 D C 2.295 178.502 176.300 -0.155 0.000 1.001 59 D CA 1.882 55.819 54.000 -0.106 0.000 0.844 59 D CB -0.341 40.490 40.800 0.052 0.000 0.944 59 D HN 0.224 nan 8.370 nan 0.000 0.447 60 R N 0.716 121.159 120.500 -0.095 0.000 2.073 60 R HA 0.081 4.419 4.340 -0.003 0.000 0.229 60 R C 2.131 178.331 176.300 -0.168 0.000 1.120 60 R CA 1.297 57.337 56.100 -0.100 0.000 0.967 60 R CB -0.987 29.276 30.300 -0.062 0.000 0.862 60 R HN 0.134 nan 8.270 nan 0.000 0.436 61 A N 0.683 123.391 122.820 -0.186 0.000 1.865 61 A HA -0.227 4.091 4.320 -0.003 0.000 0.217 61 A C 2.219 179.659 177.584 -0.240 0.000 1.191 61 A CA 1.848 53.756 52.037 -0.214 0.000 0.623 61 A CB -0.643 18.244 19.000 -0.188 0.000 0.826 61 A HN 0.339 nan 8.150 nan 0.000 0.444 62 R N -0.400 119.882 120.500 -0.364 0.000 2.091 62 R HA -0.155 4.183 4.340 -0.003 0.000 0.238 62 R C 2.302 178.539 176.300 -0.105 0.000 1.136 62 R CA 1.671 57.562 56.100 -0.348 0.000 0.959 62 R CB -0.456 29.420 30.300 -0.706 0.000 0.856 62 R HN 0.464 nan 8.270 nan 0.000 0.437 63 A N 0.346 123.094 122.820 -0.121 0.000 1.855 63 A HA -0.096 4.223 4.320 -0.003 0.000 0.215 63 A C 2.319 179.884 177.584 -0.033 0.000 1.191 63 A CA 1.556 53.577 52.037 -0.027 0.000 0.613 63 A CB -0.756 18.227 19.000 -0.029 0.000 0.829 63 A HN 0.220 nan 8.150 nan 0.000 0.442 64 V N 0.392 120.211 119.914 -0.160 0.000 2.324 64 V HA -0.325 3.794 4.120 -0.003 0.000 0.250 64 V C 2.590 178.531 176.094 -0.254 0.000 1.060 64 V CA 2.126 64.195 62.300 -0.383 0.000 1.042 64 V CB -0.870 30.504 31.823 -0.748 0.000 0.650 64 V HN 0.577 nan 8.190 nan 0.000 0.450 65 L N -0.284 120.853 121.223 -0.143 0.000 2.051 65 L HA -0.267 4.071 4.340 -0.003 0.000 0.214 65 L C 2.496 179.371 176.870 0.009 0.000 1.076 65 L CA 2.013 56.828 54.840 -0.043 0.000 0.758 65 L CB -0.590 41.506 42.059 0.061 0.000 0.890 65 L HN 0.431 nan 8.230 nan 0.000 0.433 66 A N -1.779 121.054 122.820 0.022 0.000 2.044 66 A HA -0.049 4.269 4.320 -0.003 0.000 0.213 66 A C 0.684 178.286 177.584 0.030 0.000 1.169 66 A CA -0.144 51.872 52.037 -0.035 0.000 0.724 66 A CB -0.234 18.670 19.000 -0.161 0.000 0.840 66 A HN 0.289 nan 8.150 nan 0.000 0.463 67 D N 0.667 121.120 120.400 0.089 0.000 2.658 67 D HA 0.039 4.678 4.640 -0.003 0.000 0.230 67 D C -1.585 174.808 176.300 0.155 0.000 1.118 67 D CA -0.544 53.553 54.000 0.161 0.000 0.848 67 D CB 0.890 41.894 40.800 0.340 0.000 1.160 67 D HN 0.106 nan 8.370 nan 0.000 0.497 68 P HA -0.067 nan 4.420 nan 0.000 0.221 68 P C 0.971 178.272 177.300 0.003 0.000 1.150 68 P CA 0.860 63.979 63.100 0.033 0.000 0.800 68 P CB 0.230 31.933 31.700 0.005 0.000 0.787 69 R N -1.151 119.320 120.500 -0.048 0.000 2.120 69 R HA -0.051 4.287 4.340 -0.003 0.000 0.234 69 R C 0.288 176.388 176.300 -0.333 0.000 1.123 69 R CA 0.789 56.751 56.100 -0.230 0.000 0.975 69 R CB -0.696 29.382 30.300 -0.370 0.000 0.866 69 R HN 0.237 nan 8.270 nan 0.000 0.446 70 F N 0.990 120.915 119.950 -0.042 0.000 2.375 70 F HA 0.172 4.697 4.527 -0.003 0.000 0.362 70 F C 0.708 176.484 175.800 -0.040 0.000 1.129 70 F CA -0.469 57.497 58.000 -0.057 0.000 1.154 70 F CB 1.184 40.130 39.000 -0.090 0.000 1.205 70 F HN -0.156 nan 8.300 nan 0.000 0.513 71 S N 2.746 118.510 115.700 0.106 0.000 2.610 71 S HA 0.351 4.819 4.470 -0.003 0.000 0.273 71 S C 0.713 175.363 174.600 0.083 0.000 1.274 71 S CA -0.642 57.626 58.200 0.114 0.000 1.023 71 S CB 0.885 64.166 63.200 0.135 0.000 0.962 71 S HN 0.731 nan 8.310 nan 0.000 0.523 72 K N 1.328 121.781 120.400 0.088 0.000 2.387 72 K HA 0.172 4.490 4.320 -0.003 0.000 0.203 72 K C -0.525 176.213 176.600 0.229 0.000 1.030 72 K CA -0.261 56.029 56.287 0.005 0.000 1.099 72 K CB 0.325 32.743 32.500 -0.138 0.000 0.863 72 K HN 0.551 nan 8.250 nan 0.000 0.529 73 D N -0.252 120.322 120.400 0.290 0.000 2.295 73 D HA 0.007 4.645 4.640 -0.003 0.000 0.248 73 D C 0.333 176.809 176.300 0.292 0.000 1.154 73 D CA -0.383 53.798 54.000 0.302 0.000 0.857 73 D CB 0.562 41.487 40.800 0.208 0.000 1.117 73 D HN 0.035 nan 8.370 nan 0.000 0.468 74 W N 3.351 124.718 121.300 0.112 0.000 2.387 74 W HA -0.069 4.589 4.660 -0.003 0.000 0.272 74 W C 2.203 178.595 176.519 -0.212 0.000 1.224 74 W CA 0.207 57.461 57.345 -0.152 0.000 1.210 74 W CB -0.139 29.263 29.460 -0.097 0.000 1.125 74 W HN 0.440 nan 8.180 nan 0.000 0.572 75 R N -0.012 120.560 120.500 0.120 0.000 2.200 75 R HA -0.130 4.209 4.340 -0.003 0.000 0.234 75 R C 1.240 177.527 176.300 -0.022 0.000 1.127 75 R CA 1.120 57.250 56.100 0.051 0.000 0.989 75 R CB -0.454 29.889 30.300 0.072 0.000 0.869 75 R HN 0.212 nan 8.270 nan 0.000 0.459 76 N N 0.082 118.744 118.700 -0.064 0.000 2.280 76 N HA -0.023 4.715 4.740 -0.003 0.000 0.192 76 N C -0.138 175.217 175.510 -0.258 0.000 1.109 76 N CA 0.220 53.219 53.050 -0.086 0.000 0.855 76 N CB 0.798 39.306 38.487 0.035 0.000 0.974 76 N HN -0.026 nan 8.380 nan 0.000 0.482 77 S N 0.352 115.702 115.700 -0.583 0.000 2.457 77 S HA 0.180 4.648 4.470 -0.003 0.000 0.289 77 S C 1.354 175.767 174.600 -0.312 0.000 1.163 77 S CA -0.601 57.108 58.200 -0.817 0.000 1.078 77 S CB 0.884 63.051 63.200 -1.722 0.000 0.987 77 S HN 0.305 nan 8.310 nan 0.000 0.482 78 T N 1.394 115.847 114.554 -0.168 0.000 3.118 78 T HA 0.077 4.425 4.350 -0.003 0.000 0.260 78 T C 0.615 175.300 174.700 -0.026 0.000 1.139 78 T CA 0.359 62.421 62.100 -0.063 0.000 1.085 78 T CB -0.386 68.470 68.868 -0.019 0.000 0.934 78 T HN 0.518 nan 8.240 nan 0.000 0.518 79 T N 5.368 119.898 114.554 -0.041 0.000 2.832 79 T HA 0.383 4.732 4.350 -0.003 0.000 0.313 79 T C -2.465 172.327 174.700 0.153 0.000 1.035 79 T CA -1.358 60.780 62.100 0.063 0.000 0.950 79 T CB 1.307 70.240 68.868 0.110 0.000 0.984 79 T HN 0.268 nan 8.240 nan 0.000 0.486 80 P HA 0.185 nan 4.420 nan 0.000 0.270 80 P C -0.236 177.174 177.300 0.183 0.000 1.223 80 P CA -0.523 62.675 63.100 0.163 0.000 0.785 80 P CB 0.966 32.704 31.700 0.064 0.000 0.923 81 L N 1.078 122.302 121.223 0.002 0.000 2.452 81 L HA 0.202 4.540 4.340 -0.003 0.000 0.267 81 L C 1.685 178.447 176.870 -0.181 0.000 1.188 81 L CA -0.054 54.586 54.840 -0.334 0.000 0.821 81 L CB 0.084 41.790 42.059 -0.588 0.000 1.102 81 L HN 0.500 nan 8.230 nan 0.000 0.470 82 T N -2.489 111.945 114.554 -0.200 0.000 2.788 82 T HA 0.158 4.506 4.350 -0.003 0.000 0.280 82 T C 0.919 175.528 174.700 -0.151 0.000 0.984 82 T CA -0.794 61.232 62.100 -0.123 0.000 0.972 82 T CB 1.095 69.903 68.868 -0.099 0.000 1.039 82 T HN 0.496 nan 8.240 nan 0.000 0.530 83 E N 0.590 120.725 120.200 -0.107 0.000 2.051 83 E HA -0.086 4.262 4.350 -0.003 0.000 0.192 83 E C 2.514 179.034 176.600 -0.133 0.000 0.991 83 E CA 1.578 57.915 56.400 -0.105 0.000 0.799 83 E CB -1.039 28.618 29.700 -0.071 0.000 0.748 83 E HN 0.813 nan 8.360 nan 0.000 0.449 84 A N 1.520 124.262 122.820 -0.131 0.000 1.908 84 A HA -0.245 4.073 4.320 -0.003 0.000 0.218 84 A C 2.028 179.478 177.584 -0.224 0.000 1.181 84 A CA 1.924 53.869 52.037 -0.155 0.000 0.627 84 A CB -0.566 18.356 19.000 -0.130 0.000 0.818 84 A HN 0.266 nan 8.150 nan 0.000 0.445 85 E N -0.303 119.737 120.200 -0.267 0.000 2.150 85 E HA 0.005 4.353 4.350 -0.003 0.000 0.193 85 E C 1.992 178.348 176.600 -0.406 0.000 0.985 85 E CA 0.728 56.900 56.400 -0.379 0.000 0.814 85 E CB -0.256 29.167 29.700 -0.461 0.000 0.752 85 E HN 0.611 nan 8.360 nan 0.000 0.466 86 A N 1.029 123.649 122.820 -0.333 0.000 2.239 86 A HA 0.127 4.445 4.320 -0.003 0.000 0.209 86 A C 2.113 179.589 177.584 -0.181 0.000 1.171 86 A CA 1.010 52.872 52.037 -0.291 0.000 0.768 86 A CB -0.237 18.640 19.000 -0.205 0.000 0.790 86 A HN 0.251 nan 8.150 nan 0.000 0.478 87 A N -0.840 121.874 122.820 -0.175 0.000 2.195 87 A HA 0.412 4.730 4.320 -0.003 0.000 0.210 87 A C 1.436 178.954 177.584 -0.111 0.000 1.165 87 A CA 0.640 52.614 52.037 -0.106 0.000 0.806 87 A CB -0.147 18.781 19.000 -0.120 0.000 0.847 87 A HN 0.473 nan 8.150 nan 0.000 0.482 88 L N -0.444 120.651 121.223 -0.214 0.000 2.966 88 L HA 0.158 4.496 4.340 -0.003 0.000 0.262 88 L C 1.344 178.149 176.870 -0.109 0.000 1.165 88 L CA 0.208 54.911 54.840 -0.228 0.000 0.978 88 L CB -0.130 41.543 42.059 -0.644 0.000 1.337 88 L HN 0.426 nan 8.230 nan 0.000 0.563 89 N N -0.702 117.857 118.700 -0.234 0.000 2.398 89 N HA -0.108 4.631 4.740 -0.003 0.000 0.188 89 N C 0.342 175.749 175.510 -0.170 0.000 1.122 89 N CA 0.233 53.142 53.050 -0.234 0.000 0.866 89 N CB -0.088 38.106 38.487 -0.490 0.000 0.970 89 N HN 0.370 nan 8.380 nan 0.000 0.462 90 H N 1.162 120.263 119.070 0.051 0.000 2.680 90 H HA 0.206 4.763 4.556 0.002 0.000 0.224 90 H C -0.339 175.046 175.328 0.095 0.000 1.866 90 H CA -0.275 55.817 56.048 0.074 0.000 1.302 90 H CB -0.422 29.367 29.762 0.044 0.000 1.709 90 H HN 0.548 nan 8.280 nan 0.000 0.537 91 N N -0.651 118.158 118.700 0.181 0.000 2.455 91 N HA 0.104 4.842 4.740 -0.003 0.000 0.278 91 N C 1.265 176.870 175.510 0.158 0.000 1.291 91 N CA -0.909 52.226 53.050 0.142 0.000 0.780 91 N CB 1.050 39.594 38.487 0.094 0.000 1.520 91 N HN 0.084 nan 8.380 nan 0.000 0.486 92 M N -0.796 118.883 119.600 0.131 0.000 2.144 92 M HA -0.102 4.376 4.480 -0.003 0.000 0.260 92 M C 0.892 177.441 176.300 0.415 0.000 1.067 92 M CA 1.630 57.053 55.300 0.204 0.000 1.095 92 M CB -0.432 32.192 32.600 0.040 0.000 1.365 92 M HN 0.503 nan 8.290 nan 0.000 0.406 93 L N 1.229 122.605 121.223 0.255 0.000 2.201 93 L HA 0.045 4.383 4.340 -0.003 0.000 0.212 93 L C 0.785 177.706 176.870 0.084 0.000 1.105 93 L CA 1.669 56.608 54.840 0.165 0.000 0.775 93 L CB -0.495 41.597 42.059 0.056 0.000 0.913 93 L HN 0.419 nan 8.230 nan 0.000 0.440 94 E N -0.318 119.992 120.200 0.182 0.000 2.947 94 E HA 0.298 4.646 4.350 -0.003 0.000 0.229 94 E C -0.415 176.347 176.600 0.270 0.000 1.158 94 E CA -0.084 56.459 56.400 0.239 0.000 1.441 94 E CB 0.142 30.034 29.700 0.321 0.000 1.414 94 E HN 0.399 nan 8.360 nan 0.000 0.432 95 S N -0.497 115.372 115.700 0.282 0.000 2.587 95 S HA 0.453 4.921 4.470 -0.003 0.000 0.269 95 S C -1.355 173.427 174.600 0.304 0.000 1.154 95 S CA -1.199 57.169 58.200 0.281 0.000 0.824 95 S CB 2.062 65.427 63.200 0.275 0.000 1.118 95 S HN -0.053 nan 8.310 nan 0.000 0.462 96 D N 1.127 121.662 120.400 0.226 0.000 2.374 96 D HA 0.656 5.294 4.640 -0.003 0.000 0.239 96 D C -2.723 173.664 176.300 0.145 0.000 0.991 96 D CA -1.446 52.649 54.000 0.159 0.000 0.960 96 D CB 1.042 41.913 40.800 0.119 0.000 1.284 96 D HN 0.367 nan 8.370 nan 0.000 0.512 97 P HA 0.108 nan 4.420 nan 0.000 0.269 97 P C -1.707 175.641 177.300 0.080 0.000 1.215 97 P CA -0.800 62.359 63.100 0.099 0.000 0.780 97 P CB 0.347 32.081 31.700 0.057 0.000 0.898 98 P HA 0.003 nan 4.420 nan 0.000 0.231 98 P C 1.562 178.916 177.300 0.090 0.000 1.168 98 P CA 0.619 63.764 63.100 0.074 0.000 0.779 98 P CB 0.247 31.978 31.700 0.052 0.000 0.844 99 R N 0.291 120.856 120.500 0.110 0.000 2.083 99 R HA -0.205 4.133 4.340 -0.003 0.000 0.237 99 R C 2.500 178.877 176.300 0.128 0.000 1.137 99 R CA 1.416 57.585 56.100 0.115 0.000 0.951 99 R CB -1.002 29.382 30.300 0.140 0.000 0.851 99 R HN 0.261 nan 8.270 nan 0.000 0.434 100 H N 0.181 119.291 119.070 0.067 0.000 2.352 100 H HA -0.094 4.460 4.556 -0.003 0.000 0.299 100 H C 1.298 176.635 175.328 0.016 0.000 1.097 100 H CA 2.215 58.293 56.048 0.051 0.000 1.311 100 H CB -0.054 29.715 29.762 0.011 0.000 1.377 100 H HN 0.263 nan 8.280 nan 0.000 0.504 101 T N 1.051 115.644 114.554 0.066 0.000 2.674 101 T HA -0.173 4.175 4.350 -0.003 0.000 0.265 101 T C 2.173 176.846 174.700 -0.045 0.000 1.039 101 T CA 1.609 63.710 62.100 0.003 0.000 1.150 101 T CB -0.291 68.613 68.868 0.059 0.000 0.864 101 T HN 0.365 nan 8.240 nan 0.000 0.427 102 R N 0.853 121.350 120.500 -0.006 0.000 2.081 102 R HA -0.014 4.324 4.340 -0.003 0.000 0.235 102 R C 2.420 178.708 176.300 -0.020 0.000 1.131 102 R CA 1.191 57.288 56.100 -0.004 0.000 0.960 102 R CB -0.473 29.837 30.300 0.017 0.000 0.856 102 R HN 0.378 nan 8.270 nan 0.000 0.436 103 L N -0.080 121.125 121.223 -0.030 0.000 2.056 103 L HA -0.094 4.244 4.340 -0.003 0.000 0.207 103 L C 2.872 179.704 176.870 -0.063 0.000 1.078 103 L CA 1.374 56.197 54.840 -0.028 0.000 0.749 103 L CB -0.422 41.637 42.059 0.000 0.000 0.901 103 L HN 0.238 nan 8.230 nan 0.000 0.433 104 R N 0.648 121.052 120.500 -0.159 0.000 2.115 104 R HA -0.130 4.209 4.340 -0.003 0.000 0.230 104 R C 2.216 178.485 176.300 -0.052 0.000 1.111 104 R CA 1.046 57.059 56.100 -0.146 0.000 0.976 104 R CB 0.065 30.180 30.300 -0.308 0.000 0.870 104 R HN 0.214 nan 8.270 nan 0.000 0.445 105 K N 0.083 120.455 120.400 -0.048 0.000 2.280 105 K HA -0.104 4.214 4.320 -0.003 0.000 0.202 105 K C 1.712 178.316 176.600 0.006 0.000 1.047 105 K CA 0.636 56.915 56.287 -0.012 0.000 0.942 105 K CB 0.033 32.527 32.500 -0.011 0.000 0.739 105 K HN 0.154 nan 8.250 nan 0.000 0.457 106 L N 0.234 121.463 121.223 0.009 0.000 2.141 106 L HA -0.103 4.236 4.340 -0.003 0.000 0.209 106 L C 1.996 178.889 176.870 0.039 0.000 1.094 106 L CA 1.678 56.530 54.840 0.021 0.000 0.763 106 L CB -0.376 41.697 42.059 0.023 0.000 0.908 106 L HN 0.089 nan 8.230 nan 0.000 0.437 107 V N -5.628 114.329 119.914 0.070 0.000 3.477 107 V HA 0.386 4.504 4.120 -0.003 0.000 0.297 107 V C 2.302 178.505 176.094 0.181 0.000 1.433 107 V CA 0.472 62.853 62.300 0.136 0.000 1.052 107 V CB -0.272 31.704 31.823 0.254 0.000 0.895 107 V HN 0.108 nan 8.190 nan 0.000 0.438 108 A N 1.722 124.612 122.820 0.117 0.000 1.915 108 A HA -0.276 4.042 4.320 -0.003 0.000 0.220 108 A C 2.526 180.169 177.584 0.098 0.000 1.198 108 A CA 3.678 55.784 52.037 0.115 0.000 0.647 108 A CB -0.912 18.121 19.000 0.055 0.000 0.825 108 A HN 0.856 nan 8.150 nan 0.000 0.456 109 R N -0.443 120.080 120.500 0.037 0.000 2.189 109 R HA -0.031 4.307 4.340 -0.003 0.000 0.223 109 R C 1.607 177.871 176.300 -0.060 0.000 1.092 109 R CA 1.671 57.770 56.100 -0.002 0.000 0.989 109 R CB -0.897 29.394 30.300 -0.015 0.000 0.876 109 R HN 0.654 nan 8.270 nan 0.000 0.457 110 E N -0.895 119.226 120.200 -0.132 0.000 2.481 110 E HA 0.077 4.425 4.350 -0.003 0.000 0.195 110 E C 0.100 176.335 176.600 -0.609 0.000 1.047 110 E CA 0.425 56.599 56.400 -0.375 0.000 0.867 110 E CB 0.067 29.458 29.700 -0.514 0.000 0.858 110 E HN 0.724 nan 8.360 nan 0.000 0.513 111 F N 0.525 120.471 119.950 -0.007 0.000 2.724 111 F HA 0.070 4.595 4.527 -0.004 0.000 0.310 111 F C 0.912 176.708 175.800 -0.007 0.000 1.107 111 F CA -0.463 57.532 58.000 -0.009 0.000 1.218 111 F CB 0.494 39.486 39.000 -0.013 0.000 1.042 111 F HN -0.233 nan 8.300 nan 0.000 0.540 112 T N -2.128 112.489 114.554 0.105 0.000 2.860 112 T HA 0.051 4.399 4.350 -0.003 0.000 0.299 112 T C 1.473 176.207 174.700 0.056 0.000 1.045 112 T CA -0.624 61.522 62.100 0.077 0.000 1.071 112 T CB 1.310 70.203 68.868 0.042 0.000 0.985 112 T HN 0.348 nan 8.240 nan 0.000 0.537 113 M N 1.528 121.159 119.600 0.051 0.000 2.108 113 M HA -0.231 4.247 4.480 -0.003 0.000 0.257 113 M C 2.527 178.842 176.300 0.026 0.000 1.071 113 M CA 1.990 57.314 55.300 0.041 0.000 1.093 113 M CB -0.257 32.365 32.600 0.037 0.000 1.345 113 M HN 0.819 nan 8.290 nan 0.000 0.403 114 R N -0.272 120.239 120.500 0.018 0.000 2.075 114 R HA -0.162 4.176 4.340 -0.003 0.000 0.232 114 R C 2.193 178.491 176.300 -0.004 0.000 1.126 114 R CA 1.681 57.785 56.100 0.007 0.000 0.963 114 R CB -0.851 29.452 30.300 0.004 0.000 0.858 114 R HN 0.347 nan 8.270 nan 0.000 0.435 115 R N 1.730 122.222 120.500 -0.012 0.000 2.066 115 R HA -0.021 4.317 4.340 -0.003 0.000 0.232 115 R C 2.115 178.393 176.300 -0.037 0.000 1.131 115 R CA 1.514 57.592 56.100 -0.037 0.000 0.955 115 R CB -0.690 29.569 30.300 -0.068 0.000 0.851 115 R HN 0.112 nan 8.270 nan 0.000 0.432 116 V N 1.359 121.263 119.914 -0.017 0.000 2.332 116 V HA -0.228 3.890 4.120 -0.003 0.000 0.248 116 V C 2.295 178.392 176.094 0.005 0.000 1.055 116 V CA 2.209 64.510 62.300 0.002 0.000 1.038 116 V CB -0.703 31.149 31.823 0.047 0.000 0.651 116 V HN 0.452 nan 8.190 nan 0.000 0.450 117 E N 0.628 120.833 120.200 0.008 0.000 2.171 117 E HA -0.222 4.126 4.350 -0.003 0.000 0.197 117 E C 1.877 178.477 176.600 -0.000 0.000 0.997 117 E CA 1.444 57.849 56.400 0.009 0.000 0.810 117 E CB -0.549 29.157 29.700 0.010 0.000 0.738 117 E HN 0.636 nan 8.360 nan 0.000 0.467 118 L N -0.112 121.105 121.223 -0.009 0.000 2.265 118 L HA -0.117 4.221 4.340 -0.003 0.000 0.215 118 L C 2.126 178.987 176.870 -0.015 0.000 1.117 118 L CA 0.593 55.425 54.840 -0.014 0.000 0.782 118 L CB -0.362 41.683 42.059 -0.023 0.000 0.914 118 L HN 0.189 nan 8.230 nan 0.000 0.441 119 L N -0.652 120.563 121.223 -0.013 0.000 2.554 119 L HA -0.055 4.284 4.340 -0.003 0.000 0.226 119 L C 2.622 179.489 176.870 -0.004 0.000 1.137 119 L CA 0.220 55.053 54.840 -0.012 0.000 0.863 119 L CB -0.428 41.626 42.059 -0.010 0.000 0.985 119 L HN 0.271 nan 8.230 nan 0.000 0.451 120 R N 1.324 121.824 120.500 0.000 0.000 2.115 120 R HA -0.215 4.124 4.340 -0.003 0.000 0.239 120 R C -0.436 175.865 176.300 0.000 0.000 1.133 120 R CA 2.214 58.317 56.100 0.004 0.000 0.935 120 R CB -1.220 29.085 30.300 0.007 0.000 0.853 120 R HN 0.164 nan 8.270 nan 0.000 0.433 121 P HA -0.206 nan 4.420 nan 0.000 0.216 121 P C 0.768 178.064 177.300 -0.007 0.000 1.154 121 P CA 1.582 64.680 63.100 -0.004 0.000 0.865 121 P CB -0.094 31.602 31.700 -0.006 0.000 0.789 122 R N -0.266 120.228 120.500 -0.010 0.000 2.090 122 R HA -0.039 4.299 4.340 -0.003 0.000 0.228 122 R C 1.890 178.181 176.300 -0.016 0.000 1.110 122 R CA 1.418 57.509 56.100 -0.014 0.000 0.973 122 R CB -1.439 28.851 30.300 -0.018 0.000 0.869 122 R HN -0.003 nan 8.270 nan 0.000 0.440 123 V N 0.800 120.707 119.914 -0.011 0.000 2.307 123 V HA -0.210 3.908 4.120 -0.003 0.000 0.245 123 V C 2.320 178.409 176.094 -0.008 0.000 1.045 123 V CA 2.075 64.369 62.300 -0.011 0.000 1.024 123 V CB -0.671 31.152 31.823 -0.000 0.000 0.651 123 V HN 0.344 nan 8.190 nan 0.000 0.449 124 Q N 0.366 120.164 119.800 -0.003 0.000 2.135 124 Q HA -0.223 4.115 4.340 -0.003 0.000 0.204 124 Q C 2.129 178.127 176.000 -0.005 0.000 0.981 124 Q CA 1.946 57.748 55.803 -0.000 0.000 0.856 124 Q CB -0.328 28.412 28.738 0.003 0.000 0.902 124 Q HN 0.675 nan 8.270 nan 0.000 0.425 125 E N -0.529 119.666 120.200 -0.009 0.000 2.077 125 E HA -0.156 4.192 4.350 -0.003 0.000 0.193 125 E C 1.967 178.557 176.600 -0.017 0.000 0.989 125 E CA 1.344 57.737 56.400 -0.011 0.000 0.800 125 E CB -0.129 29.564 29.700 -0.013 0.000 0.746 125 E HN 0.468 nan 8.360 nan 0.000 0.452 126 I N 0.425 120.981 120.570 -0.024 0.000 2.252 126 I HA -0.241 3.927 4.170 -0.003 0.000 0.245 126 I C 2.398 178.497 176.117 -0.030 0.000 1.102 126 I CA 0.600 61.879 61.300 -0.035 0.000 1.385 126 I CB -0.204 37.764 38.000 -0.052 0.000 1.064 126 I HN -0.027 nan 8.210 nan 0.000 0.414 127 V N 0.950 120.851 119.914 -0.021 0.000 2.255 127 V HA -0.319 3.799 4.120 -0.003 0.000 0.247 127 V C 2.158 178.248 176.094 -0.006 0.000 1.051 127 V CA 2.133 64.425 62.300 -0.013 0.000 1.018 127 V CB -0.698 31.123 31.823 -0.003 0.000 0.641 127 V HN 0.403 nan 8.190 nan 0.000 0.445 128 D N 0.671 121.069 120.400 -0.004 0.000 2.126 128 D HA -0.179 4.460 4.640 -0.003 0.000 0.190 128 D C 2.185 178.484 176.300 -0.003 0.000 1.001 128 D CA 1.909 55.908 54.000 -0.001 0.000 0.841 128 D CB -0.854 39.946 40.800 -0.001 0.000 0.949 128 D HN 0.478 nan 8.370 nan 0.000 0.446 129 G N 0.805 109.600 108.800 -0.008 0.000 2.446 129 G HA2 -0.227 3.731 3.960 -0.003 0.000 0.217 129 G HA3 -0.227 3.731 3.960 -0.003 0.000 0.217 129 G C 1.858 176.754 174.900 -0.006 0.000 1.168 129 G CA 0.541 45.636 45.100 -0.008 0.000 0.771 129 G HN 0.259 nan 8.290 nan 0.000 0.551 130 L N 0.085 121.301 121.223 -0.011 0.000 2.046 130 L HA -0.098 4.240 4.340 -0.003 0.000 0.208 130 L C 3.012 179.885 176.870 0.006 0.000 1.077 130 L CA 0.622 55.458 54.840 -0.006 0.000 0.747 130 L CB -0.491 41.558 42.059 -0.016 0.000 0.896 130 L HN 0.112 nan 8.230 nan 0.000 0.432 131 V N -0.642 119.276 119.914 0.006 0.000 2.427 131 V HA -0.257 3.861 4.120 -0.003 0.000 0.248 131 V C 2.111 178.212 176.094 0.011 0.000 1.051 131 V CA 1.628 63.934 62.300 0.011 0.000 1.048 131 V CB -0.476 31.354 31.823 0.012 0.000 0.666 131 V HN 0.426 nan 8.190 nan 0.000 0.456 132 D N 0.370 120.774 120.400 0.008 0.000 2.144 132 D HA -0.128 4.510 4.640 -0.003 0.000 0.199 132 D C 2.215 178.521 176.300 0.009 0.000 0.984 132 D CA 1.642 55.646 54.000 0.007 0.000 0.834 132 D CB 0.015 40.818 40.800 0.005 0.000 0.955 132 D HN 0.451 nan 8.370 nan 0.000 0.465 133 A N 0.849 123.675 122.820 0.010 0.000 1.897 133 A HA -0.117 4.201 4.320 -0.003 0.000 0.215 133 A C 2.202 179.796 177.584 0.016 0.000 1.181 133 A CA 1.187 53.231 52.037 0.013 0.000 0.620 133 A CB -0.530 18.479 19.000 0.015 0.000 0.821 133 A HN 0.195 nan 8.150 nan 0.000 0.443 134 M N -0.201 119.410 119.600 0.019 0.000 2.086 134 M HA -0.108 4.370 4.480 -0.003 0.000 0.261 134 M C 1.709 178.019 176.300 0.017 0.000 1.067 134 M CA 1.627 56.939 55.300 0.021 0.000 1.116 134 M CB -0.269 32.345 32.600 0.024 0.000 1.348 134 M HN 0.381 nan 8.290 nan 0.000 0.407 135 L N -0.002 121.230 121.223 0.015 0.000 2.191 135 L HA -0.125 4.213 4.340 -0.003 0.000 0.212 135 L C 2.625 179.501 176.870 0.011 0.000 1.103 135 L CA 1.111 55.959 54.840 0.013 0.000 0.769 135 L CB -1.357 40.709 42.059 0.012 0.000 0.908 135 L HN 0.416 nan 8.230 nan 0.000 0.438 136 A N 0.599 123.425 122.820 0.011 0.000 2.125 136 A HA 0.045 4.363 4.320 -0.003 0.000 0.219 136 A C 1.518 179.107 177.584 0.009 0.000 1.156 136 A CA 0.767 52.809 52.037 0.009 0.000 0.671 136 A CB -0.530 18.476 19.000 0.009 0.000 0.794 136 A HN 0.336 nan 8.150 nan 0.000 0.459 137 A N 0.831 123.657 122.820 0.010 0.000 2.524 137 A HA 0.355 4.673 4.320 -0.003 0.000 0.271 137 A C -1.481 176.107 177.584 0.007 0.000 1.097 137 A CA -0.522 51.520 52.037 0.009 0.000 0.791 137 A CB -0.382 18.624 19.000 0.010 0.000 1.028 137 A HN 0.232 nan 8.150 nan 0.000 0.518 138 P HA 0.018 nan 4.420 nan 0.000 0.279 138 P C -0.177 177.126 177.300 0.004 0.000 1.451 138 P CA 0.808 63.910 63.100 0.005 0.000 0.783 138 P CB 0.268 31.971 31.700 0.004 0.000 1.490 139 D N -2.473 117.929 120.400 0.004 0.000 2.473 139 D HA 0.106 4.744 4.640 -0.003 0.000 0.242 139 D C 1.600 177.902 176.300 0.005 0.000 1.106 139 D CA 0.560 54.562 54.000 0.003 0.000 0.854 139 D CB -0.053 40.748 40.800 0.002 0.000 1.192 139 D HN 0.126 nan 8.370 nan 0.000 0.503 140 G N 1.990 110.793 108.800 0.006 0.000 2.155 140 G HA2 -0.329 3.629 3.960 -0.003 0.000 0.257 140 G HA3 -0.329 3.629 3.960 -0.003 0.000 0.257 140 G C 0.175 175.080 174.900 0.008 0.000 0.983 140 G CA 0.240 45.345 45.100 0.008 0.000 0.676 140 G HN 0.333 nan 8.290 nan 0.000 0.528 141 R N -0.466 120.038 120.500 0.007 0.000 2.628 141 R HA 0.827 5.165 4.340 -0.003 0.000 0.288 141 R C -0.203 176.101 176.300 0.007 0.000 0.980 141 R CA -0.039 56.065 56.100 0.006 0.000 0.891 141 R CB 2.254 32.556 30.300 0.003 0.000 1.188 141 R HN 1.026 nan 8.270 nan 0.000 0.450 142 A N 1.313 124.138 122.820 0.008 0.000 2.586 142 A HA 0.334 4.652 4.320 -0.003 0.000 0.291 142 A C -1.944 175.645 177.584 0.009 0.000 1.062 142 A CA -0.848 51.195 52.037 0.009 0.000 0.666 142 A CB 1.774 20.784 19.000 0.016 0.000 1.281 142 A HN 0.664 nan 8.150 nan 0.000 0.421 143 D N 0.670 121.075 120.400 0.008 0.000 2.316 143 D HA 0.346 4.984 4.640 -0.003 0.000 0.245 143 D C 0.838 177.152 176.300 0.024 0.000 1.171 143 D CA -0.382 53.620 54.000 0.004 0.000 0.856 143 D CB 1.107 41.902 40.800 -0.009 0.000 1.090 143 D HN 0.414 nan 8.370 nan 0.000 0.476 144 L N 4.711 125.948 121.223 0.024 0.000 2.275 144 L HA 0.002 4.341 4.340 -0.003 0.000 0.215 144 L C 1.703 178.605 176.870 0.054 0.000 1.119 144 L CA 1.414 56.278 54.840 0.039 0.000 0.790 144 L CB -0.568 41.514 42.059 0.038 0.000 0.919 144 L HN 0.628 nan 8.230 nan 0.000 0.443 145 M N -0.958 118.667 119.600 0.042 0.000 2.098 145 M HA -0.094 4.384 4.480 -0.003 0.000 0.262 145 M C 2.065 178.446 176.300 0.135 0.000 1.072 145 M CA 1.689 57.029 55.300 0.067 0.000 1.133 145 M CB -0.559 32.050 32.600 0.016 0.000 1.344 145 M HN 0.160 nan 8.290 nan 0.000 0.414 146 E N -0.340 119.918 120.200 0.097 0.000 2.072 146 E HA -0.053 4.295 4.350 -0.003 0.000 0.190 146 E C 2.004 178.739 176.600 0.225 0.000 0.982 146 E CA 1.457 57.947 56.400 0.149 0.000 0.803 146 E CB -0.186 29.541 29.700 0.044 0.000 0.755 146 E HN 0.571 nan 8.360 nan 0.000 0.453 147 S N 0.081 115.859 115.700 0.131 0.000 2.436 147 S HA -0.060 4.409 4.470 -0.003 0.000 0.228 147 S C 1.710 176.360 174.600 0.083 0.000 1.014 147 S CA 0.848 59.109 58.200 0.103 0.000 0.950 147 S CB 0.268 63.505 63.200 0.061 0.000 0.784 147 S HN 0.178 nan 8.310 nan 0.000 0.504 148 L N -0.296 120.978 121.223 0.085 0.000 2.598 148 L HA 0.554 4.892 4.340 -0.003 0.000 0.205 148 L C 1.925 178.819 176.870 0.041 0.000 1.054 148 L CA 0.923 55.789 54.840 0.044 0.000 0.934 148 L CB -1.068 41.011 42.059 0.034 0.000 1.704 148 L HN 0.040 nan 8.230 nan 0.000 0.491 149 A N -0.182 122.683 122.820 0.076 0.000 1.917 149 A HA -0.279 4.039 4.320 -0.003 0.000 0.219 149 A C 2.019 179.665 177.584 0.103 0.000 1.182 149 A CA 2.402 54.487 52.037 0.079 0.000 0.633 149 A CB -1.326 17.728 19.000 0.090 0.000 0.819 149 A HN 0.772 nan 8.150 nan 0.000 0.448 150 W N 0.786 122.072 121.300 -0.024 0.000 2.488 150 W HA 0.077 4.735 4.660 -0.003 0.000 0.304 150 W C -1.193 175.292 176.519 -0.056 0.000 1.175 150 W CA 1.336 58.657 57.345 -0.039 0.000 1.365 150 W CB -1.197 28.260 29.460 -0.005 0.000 1.131 150 W HN 0.211 nan 8.180 nan 0.000 0.520 151 P HA -0.280 nan 4.420 nan 0.000 0.216 151 P C 1.896 178.876 177.300 -0.533 0.000 1.157 151 P CA 2.383 64.968 63.100 -0.858 0.000 0.880 151 P CB -0.437 31.031 31.700 -0.387 0.000 0.791 152 L N -0.427 120.619 121.223 -0.296 0.000 1.989 152 L HA -0.079 4.259 4.340 -0.003 0.000 0.211 152 L C -0.808 175.944 176.870 -0.198 0.000 1.071 152 L CA 2.773 57.496 54.840 -0.196 0.000 0.749 152 L CB -2.160 39.837 42.059 -0.103 0.000 0.890 152 L HN 0.008 nan 8.230 nan 0.000 0.431 153 P HA -0.190 nan 4.420 nan 0.000 0.214 153 P C 1.955 179.119 177.300 -0.226 0.000 1.163 153 P CA 1.529 64.514 63.100 -0.191 0.000 0.883 153 P CB -0.146 31.427 31.700 -0.211 0.000 0.788 154 I N -1.083 119.281 120.570 -0.344 0.000 2.361 154 I HA -0.186 3.982 4.170 -0.003 0.000 0.251 154 I C 1.635 177.627 176.117 -0.208 0.000 1.133 154 I CA 1.986 63.122 61.300 -0.273 0.000 1.413 154 I CB -1.111 36.715 38.000 -0.289 0.000 1.073 154 I HN -0.095 nan 8.210 nan 0.000 0.424 155 T N -0.364 114.048 114.554 -0.237 0.000 2.812 155 T HA -0.090 4.258 4.350 -0.003 0.000 0.264 155 T C 2.016 176.650 174.700 -0.109 0.000 1.042 155 T CA 1.675 63.673 62.100 -0.170 0.000 1.140 155 T CB -0.400 68.358 68.868 -0.182 0.000 0.870 155 T HN 0.190 nan 8.240 nan 0.000 0.445 156 V N 1.289 121.144 119.914 -0.098 0.000 2.270 156 V HA -0.098 4.020 4.120 -0.003 0.000 0.245 156 V C 2.366 178.442 176.094 -0.029 0.000 1.043 156 V CA 1.271 63.540 62.300 -0.053 0.000 1.014 156 V CB -0.579 31.223 31.823 -0.035 0.000 0.645 156 V HN 0.340 nan 8.190 nan 0.000 0.447 157 I N 0.024 120.576 120.570 -0.031 0.000 2.226 157 I HA -0.191 3.977 4.170 -0.003 0.000 0.245 157 I C 2.538 178.643 176.117 -0.019 0.000 1.100 157 I CA 1.585 62.887 61.300 0.003 0.000 1.374 157 I CB -0.342 37.659 38.000 0.003 0.000 1.057 157 I HN 0.199 nan 8.210 nan 0.000 0.413 158 S N 0.365 116.030 115.700 -0.059 0.000 2.359 158 S HA -0.237 4.231 4.470 -0.003 0.000 0.224 158 S C 1.847 176.432 174.600 -0.025 0.000 1.035 158 S CA 1.807 59.971 58.200 -0.058 0.000 1.018 158 S CB -0.418 62.736 63.200 -0.077 0.000 0.876 158 S HN 0.578 nan 8.310 nan 0.000 0.448 159 E N 0.891 121.074 120.200 -0.028 0.000 2.077 159 E HA -0.093 4.255 4.350 -0.003 0.000 0.193 159 E C 2.121 178.713 176.600 -0.014 0.000 0.989 159 E CA 0.912 57.300 56.400 -0.020 0.000 0.800 159 E CB -0.338 29.346 29.700 -0.026 0.000 0.746 159 E HN 0.426 nan 8.360 nan 0.000 0.452 160 L N 0.610 121.826 121.223 -0.012 0.000 2.017 160 L HA -0.201 4.138 4.340 -0.003 0.000 0.208 160 L C 2.469 179.337 176.870 -0.004 0.000 1.073 160 L CA 0.799 55.630 54.840 -0.015 0.000 0.745 160 L CB -0.395 41.664 42.059 -0.001 0.000 0.894 160 L HN 0.208 nan 8.230 nan 0.000 0.432 161 L N -0.758 120.478 121.223 0.021 0.000 2.127 161 L HA 0.069 4.408 4.340 -0.003 0.000 0.203 161 L C 1.377 178.265 176.870 0.029 0.000 1.080 161 L CA 1.711 56.572 54.840 0.035 0.000 0.768 161 L CB -1.177 40.916 42.059 0.057 0.000 0.924 161 L HN 0.557 nan 8.230 nan 0.000 0.444 162 G N -0.394 108.421 108.800 0.025 0.000 2.189 162 G HA2 -0.135 3.823 3.960 -0.003 0.000 0.113 162 G HA3 -0.135 3.823 3.960 -0.003 0.000 0.113 162 G C -0.295 174.640 174.900 0.058 0.000 1.038 162 G CA -0.274 44.845 45.100 0.032 0.000 0.704 162 G HN 0.029 nan 8.290 nan 0.000 0.490 163 V N 1.502 121.450 119.914 0.056 0.000 2.383 163 V HA 0.405 4.523 4.120 -0.003 0.000 0.275 163 V C -1.494 174.656 176.094 0.094 0.000 1.036 163 V CA -1.570 60.795 62.300 0.109 0.000 0.889 163 V CB 1.517 33.354 31.823 0.024 0.000 0.985 163 V HN 0.159 nan 8.190 nan 0.000 0.459 164 P HA -0.021 nan 4.420 nan 0.000 0.265 164 P C 0.996 178.345 177.300 0.082 0.000 1.187 164 P CA 0.221 63.388 63.100 0.111 0.000 0.766 164 P CB 0.626 32.417 31.700 0.152 0.000 0.820 165 E N 5.318 125.545 120.200 0.046 0.000 2.065 165 E HA -0.213 4.135 4.350 -0.003 0.000 0.201 165 E C -0.920 175.702 176.600 0.038 0.000 1.016 165 E CA 2.429 58.843 56.400 0.024 0.000 0.818 165 E CB -1.714 27.993 29.700 0.011 0.000 0.749 165 E HN 0.358 nan 8.360 nan 0.000 0.453 166 P HA -0.077 nan 4.420 nan 0.000 0.220 166 P C 0.426 177.754 177.300 0.047 0.000 1.148 166 P CA 1.347 64.478 63.100 0.050 0.000 0.803 166 P CB -0.081 31.651 31.700 0.054 0.000 0.782 167 D N -1.346 119.099 120.400 0.075 0.000 2.349 167 D HA 0.016 4.654 4.640 -0.003 0.000 0.224 167 D C 1.716 178.047 176.300 0.052 0.000 1.029 167 D CA 0.350 54.372 54.000 0.038 0.000 0.879 167 D CB -0.294 40.588 40.800 0.137 0.000 0.906 167 D HN 0.206 nan 8.370 nan 0.000 0.528 168 R N 0.568 121.114 120.500 0.076 0.000 2.148 168 R HA 0.084 4.422 4.340 -0.003 0.000 0.223 168 R C 2.114 178.515 176.300 0.168 0.000 1.088 168 R CA 0.907 57.079 56.100 0.120 0.000 0.985 168 R CB -0.045 30.281 30.300 0.043 0.000 0.880 168 R HN 0.065 nan 8.270 nan 0.000 0.451 169 A N 1.640 124.512 122.820 0.085 0.000 1.877 169 A HA -0.103 4.215 4.320 -0.003 0.000 0.216 169 A C 2.428 179.902 177.584 -0.182 0.000 1.186 169 A CA 1.551 53.618 52.037 0.049 0.000 0.620 169 A CB -0.715 18.283 19.000 -0.004 0.000 0.822 169 A HN 0.352 nan 8.150 nan 0.000 0.443 170 A N -0.832 121.753 122.820 -0.391 0.000 1.903 170 A HA -0.181 4.137 4.320 -0.003 0.000 0.219 170 A C 1.930 178.690 177.584 -1.375 0.000 1.191 170 A CA 1.909 53.337 52.037 -1.014 0.000 0.638 170 A CB -0.947 17.305 19.000 -1.246 0.000 0.823 170 A HN 0.504 nan 8.150 nan 0.000 0.451 171 F N -0.652 118.837 119.950 -0.767 0.000 2.333 171 F HA -0.065 4.459 4.527 -0.004 0.000 0.300 171 F C 2.391 178.026 175.800 -0.276 0.000 1.083 171 F CA 1.510 59.319 58.000 -0.319 0.000 1.395 171 F CB -0.231 38.784 39.000 0.024 0.000 1.056 171 F HN 0.206 nan 8.300 nan 0.000 0.529 172 R N 0.042 120.531 120.500 -0.018 0.000 2.075 172 R HA -0.099 4.239 4.340 -0.003 0.000 0.232 172 R C 2.106 178.281 176.300 -0.209 0.000 1.126 172 R CA 1.193 57.297 56.100 0.007 0.000 0.963 172 R CB -0.394 29.946 30.300 0.067 0.000 0.858 172 R HN 0.149 nan 8.270 nan 0.000 0.435 173 V N 0.017 119.720 119.914 -0.351 0.000 2.270 173 V HA -0.241 3.877 4.120 -0.003 0.000 0.245 173 V C 2.119 178.012 176.094 -0.335 0.000 1.043 173 V CA 1.581 63.662 62.300 -0.364 0.000 1.014 173 V CB -0.554 30.994 31.823 -0.458 0.000 0.645 173 V HN 0.452 nan 8.190 nan 0.000 0.447 174 W N 0.452 121.501 121.300 -0.418 0.000 2.354 174 W HA -0.133 4.526 4.660 -0.001 0.000 0.315 174 W C 2.659 178.550 176.519 -1.045 0.000 1.206 174 W CA 1.749 58.658 57.345 -0.726 0.000 1.290 174 W CB -1.977 27.064 29.460 -0.699 0.000 1.152 174 W HN 0.251 nan 8.180 nan 0.000 0.489 175 T N 0.102 114.409 114.554 -0.412 0.000 2.803 175 T HA -0.206 4.142 4.350 -0.003 0.000 0.269 175 T C 1.413 175.969 174.700 -0.240 0.000 1.052 175 T CA 1.806 63.727 62.100 -0.298 0.000 1.136 175 T CB -0.420 68.225 68.868 -0.372 0.000 0.864 175 T HN 0.092 nan 8.240 nan 0.000 0.467 176 D N 0.902 121.162 120.400 -0.233 0.000 2.117 176 D HA -0.049 4.589 4.640 -0.003 0.000 0.197 176 D C 2.360 178.595 176.300 -0.108 0.000 0.987 176 D CA 1.231 55.147 54.000 -0.140 0.000 0.829 176 D CB -0.096 40.640 40.800 -0.106 0.000 0.961 176 D HN 0.398 nan 8.370 nan 0.000 0.460 177 A N -0.020 122.682 122.820 -0.197 0.000 1.969 177 A HA -0.119 4.200 4.320 -0.003 0.000 0.218 177 A C 2.146 179.737 177.584 0.012 0.000 1.169 177 A CA 0.773 52.739 52.037 -0.117 0.000 0.635 177 A CB -1.042 17.863 19.000 -0.159 0.000 0.810 177 A HN 0.291 nan 8.150 nan 0.000 0.445 178 F N -0.892 119.079 119.950 0.036 0.000 2.293 178 F HA -0.109 4.416 4.527 -0.002 0.000 0.300 178 F C 2.189 178.006 175.800 0.028 0.000 1.086 178 F CA 0.592 58.607 58.000 0.026 0.000 1.375 178 F CB 0.028 39.043 39.000 0.026 0.000 1.045 178 F HN 0.061 nan 8.300 nan 0.000 0.516 179 V N -0.606 119.405 119.914 0.162 0.000 2.426 179 V HA 0.009 4.127 4.120 -0.003 0.000 0.242 179 V C 0.427 176.602 176.094 0.134 0.000 1.036 179 V CA 1.461 63.811 62.300 0.084 0.000 1.044 179 V CB -0.240 31.516 31.823 -0.112 0.000 0.688 179 V HN 0.154 nan 8.190 nan 0.000 0.462 180 F N 2.005 122.043 119.950 0.148 0.000 3.090 180 F HA 0.705 5.231 4.527 -0.003 0.000 0.381 180 F C -3.082 172.799 175.800 0.135 0.000 1.231 180 F CA -2.213 55.908 58.000 0.202 0.000 1.177 180 F CB 0.285 39.517 39.000 0.386 0.000 1.598 180 F HN -0.020 nan 8.300 nan 0.000 0.589 181 P HA 0.268 nan 4.420 nan 0.000 0.274 181 P C -0.429 176.904 177.300 0.055 0.000 1.231 181 P CA 0.049 63.192 63.100 0.071 0.000 0.790 181 P CB 1.679 33.427 31.700 0.080 0.000 0.951 182 D N 0.112 120.533 120.400 0.034 0.000 2.352 182 D HA 0.054 4.692 4.640 -0.003 0.000 0.232 182 D C 0.034 176.349 176.300 0.024 0.000 1.055 182 D CA 1.270 55.283 54.000 0.022 0.000 0.891 182 D CB -0.174 40.631 40.800 0.008 0.000 0.897 182 D HN 0.482 nan 8.370 nan 0.000 0.529 183 D N -2.860 117.560 120.400 0.034 0.000 2.951 183 D HA 0.033 4.671 4.640 -0.003 0.000 0.262 183 D C -2.467 173.859 176.300 0.044 0.000 1.110 183 D CA -0.813 53.207 54.000 0.033 0.000 0.724 183 D CB 0.829 41.643 40.800 0.024 0.000 1.516 183 D HN -0.348 nan 8.370 nan 0.000 0.447 184 P HA 0.080 nan 4.420 nan 0.000 0.234 184 P C 0.114 177.441 177.300 0.046 0.000 1.162 184 P CA 1.077 64.207 63.100 0.051 0.000 0.759 184 P CB 0.205 31.932 31.700 0.044 0.000 0.813 185 A N -1.629 121.214 122.820 0.038 0.000 2.055 185 A HA -0.001 4.317 4.320 -0.003 0.000 0.205 185 A C 2.129 179.735 177.584 0.036 0.000 1.235 185 A CA 0.265 52.321 52.037 0.031 0.000 0.822 185 A CB -0.501 18.512 19.000 0.021 0.000 0.903 185 A HN -0.070 nan 8.150 nan 0.000 0.473 186 Q N 0.322 120.146 119.800 0.039 0.000 2.152 186 Q HA -0.190 4.148 4.340 -0.003 0.000 0.206 186 Q C 2.292 178.329 176.000 0.062 0.000 0.985 186 Q CA 1.688 57.515 55.803 0.040 0.000 0.863 186 Q CB -0.562 28.195 28.738 0.032 0.000 0.904 186 Q HN 0.646 nan 8.270 nan 0.000 0.422 187 A N 0.808 123.684 122.820 0.093 0.000 1.858 187 A HA -0.206 4.112 4.320 -0.003 0.000 0.216 187 A C 2.014 179.694 177.584 0.161 0.000 1.190 187 A CA 1.376 53.520 52.037 0.177 0.000 0.617 187 A CB -0.405 18.705 19.000 0.183 0.000 0.827 187 A HN 0.294 nan 8.150 nan 0.000 0.443 188 Q N -0.616 119.228 119.800 0.074 0.000 2.170 188 Q HA -0.117 4.221 4.340 -0.003 0.000 0.203 188 Q C 2.064 178.066 176.000 0.003 0.000 0.976 188 Q CA 1.929 57.744 55.803 0.020 0.000 0.858 188 Q CB -0.973 27.765 28.738 0.000 0.000 0.907 188 Q HN 0.634 nan 8.270 nan 0.000 0.433 189 T N 1.044 115.606 114.554 0.013 0.000 2.942 189 T HA 0.043 4.391 4.350 -0.003 0.000 0.265 189 T C 1.823 176.503 174.700 -0.034 0.000 1.062 189 T CA 0.983 63.078 62.100 -0.008 0.000 1.139 189 T CB -0.046 68.827 68.868 0.008 0.000 0.883 189 T HN 0.387 nan 8.240 nan 0.000 0.468 190 A N 1.302 124.123 122.820 0.000 0.000 1.930 190 A HA 0.002 4.321 4.320 -0.003 0.000 0.217 190 A C 2.290 179.744 177.584 -0.217 0.000 1.175 190 A CA 1.211 53.193 52.037 -0.091 0.000 0.627 190 A CB -0.568 18.393 19.000 -0.066 0.000 0.815 190 A HN 0.424 nan 8.150 nan 0.000 0.443 191 M N -0.540 119.110 119.600 0.085 0.000 2.067 191 M HA -0.172 4.306 4.480 -0.003 0.000 0.260 191 M C 2.628 178.789 176.300 -0.232 0.000 1.069 191 M CA 1.547 56.827 55.300 -0.033 0.000 1.117 191 M CB -0.559 31.965 32.600 -0.127 0.000 1.334 191 M HN 0.481 nan 8.290 nan 0.000 0.407 192 A N 0.485 123.198 122.820 -0.179 0.000 1.873 192 A HA -0.236 4.082 4.320 -0.003 0.000 0.218 192 A C 1.903 179.349 177.584 -0.230 0.000 1.193 192 A CA 2.175 54.110 52.037 -0.171 0.000 0.629 192 A CB -0.923 18.014 19.000 -0.105 0.000 0.826 192 A HN 0.577 nan 8.150 nan 0.000 0.447 193 E N -1.192 118.832 120.200 -0.294 0.000 2.077 193 E HA -0.218 4.131 4.350 -0.003 0.000 0.193 193 E C 2.081 178.283 176.600 -0.664 0.000 0.989 193 E CA 1.455 57.658 56.400 -0.327 0.000 0.800 193 E CB -0.253 29.338 29.700 -0.183 0.000 0.746 193 E HN 0.768 nan 8.360 nan 0.000 0.452 194 M N 0.339 119.220 119.600 -1.199 0.000 2.132 194 M HA -0.141 4.337 4.480 -0.003 0.000 0.263 194 M C 2.391 178.430 176.300 -0.435 0.000 1.065 194 M CA 1.330 55.833 55.300 -1.329 0.000 1.122 194 M CB 0.036 31.902 32.600 -1.222 0.000 1.365 194 M HN -0.004 nan 8.290 nan 0.000 0.411 195 S N -0.096 115.415 115.700 -0.315 0.000 2.419 195 S HA -0.070 4.398 4.470 -0.003 0.000 0.233 195 S C 1.786 176.331 174.600 -0.091 0.000 1.016 195 S CA 1.529 59.633 58.200 -0.160 0.000 0.974 195 S CB -0.615 62.483 63.200 -0.170 0.000 0.786 195 S HN 0.727 nan 8.310 nan 0.000 0.492 196 G N -0.819 107.920 108.800 -0.101 0.000 2.426 196 G HA2 -0.088 3.870 3.960 -0.003 0.000 0.214 196 G HA3 -0.088 3.870 3.960 -0.003 0.000 0.214 196 G C 1.214 176.130 174.900 0.027 0.000 1.156 196 G CA 0.670 45.750 45.100 -0.034 0.000 0.802 196 G HN 0.620 nan 8.290 nan 0.000 0.534 197 Y N 1.330 121.594 120.300 -0.060 0.000 2.133 197 Y HA -0.013 4.536 4.550 -0.002 0.000 0.287 197 Y C 2.541 178.507 175.900 0.110 0.000 1.134 197 Y CA 1.309 59.452 58.100 0.072 0.000 1.133 197 Y CB -0.398 38.169 38.460 0.178 0.000 0.987 197 Y HN 0.085 nan 8.280 nan 0.000 0.502 198 L N -0.456 120.825 121.223 0.095 0.000 1.978 198 L HA -0.339 3.999 4.340 -0.003 0.000 0.218 198 L C 2.593 179.423 176.870 -0.067 0.000 1.075 198 L CA 1.926 56.794 54.840 0.047 0.000 0.767 198 L CB -1.059 41.103 42.059 0.171 0.000 0.890 198 L HN 0.180 nan 8.230 nan 0.000 0.434 199 S N -0.635 115.042 115.700 -0.039 0.000 2.365 199 S HA -0.212 4.256 4.470 -0.003 0.000 0.225 199 S C 2.029 176.588 174.600 -0.068 0.000 1.039 199 S CA 1.405 59.581 58.200 -0.040 0.000 1.033 199 S CB -0.313 62.871 63.200 -0.028 0.000 0.887 199 S HN 0.337 nan 8.310 nan 0.000 0.447 200 R N 0.283 120.725 120.500 -0.096 0.000 2.081 200 R HA -0.046 4.292 4.340 -0.003 0.000 0.235 200 R C 2.323 178.539 176.300 -0.139 0.000 1.131 200 R CA 1.172 57.214 56.100 -0.097 0.000 0.960 200 R CB -0.550 29.704 30.300 -0.076 0.000 0.856 200 R HN 0.266 nan 8.270 nan 0.000 0.436 201 L N 1.070 122.132 121.223 -0.268 0.000 2.083 201 L HA -0.115 4.223 4.340 -0.003 0.000 0.209 201 L C 1.957 178.765 176.870 -0.103 0.000 1.083 201 L CA 1.564 56.261 54.840 -0.239 0.000 0.752 201 L CB -0.227 41.596 42.059 -0.394 0.000 0.899 201 L HN 0.137 nan 8.230 nan 0.000 0.433 202 I N -0.581 119.942 120.570 -0.079 0.000 2.226 202 I HA -0.293 3.875 4.170 -0.003 0.000 0.245 202 I C 2.339 178.440 176.117 -0.026 0.000 1.100 202 I CA 1.699 62.981 61.300 -0.031 0.000 1.374 202 I CB -0.463 37.529 38.000 -0.014 0.000 1.057 202 I HN 0.417 nan 8.210 nan 0.000 0.413 203 D N 0.602 120.982 120.400 -0.034 0.000 2.097 203 D HA -0.197 4.442 4.640 -0.003 0.000 0.195 203 D C 2.260 178.549 176.300 -0.019 0.000 0.989 203 D CA 1.979 55.966 54.000 -0.023 0.000 0.827 203 D CB 0.115 40.901 40.800 -0.024 0.000 0.966 203 D HN 0.367 nan 8.370 nan 0.000 0.456 204 S N -0.095 115.589 115.700 -0.025 0.000 2.419 204 S HA -0.125 4.343 4.470 -0.003 0.000 0.235 204 S C 1.785 176.380 174.600 -0.007 0.000 1.019 204 S CA 0.703 58.895 58.200 -0.014 0.000 0.982 204 S CB -0.123 63.067 63.200 -0.016 0.000 0.789 204 S HN 0.154 nan 8.310 nan 0.000 0.490 205 K N 1.227 121.621 120.400 -0.010 0.000 2.098 205 K HA 0.108 4.426 4.320 -0.003 0.000 0.203 205 K C 1.168 177.767 176.600 -0.001 0.000 1.051 205 K CA 0.143 56.429 56.287 -0.002 0.000 0.957 205 K CB -0.405 32.094 32.500 -0.000 0.000 0.738 205 K HN 0.465 nan 8.250 nan 0.000 0.447 206 R N 0.792 121.290 120.500 -0.003 0.000 2.486 206 R HA -0.037 4.301 4.340 -0.003 0.000 0.303 206 R C 0.533 176.832 176.300 -0.001 0.000 0.958 206 R CA 1.189 57.288 56.100 -0.002 0.000 1.077 206 R CB -0.227 30.071 30.300 -0.003 0.000 0.921 206 R HN 0.508 nan 8.270 nan 0.000 0.406 207 G N 3.172 111.972 108.800 -0.000 0.000 2.162 207 G HA2 -0.252 3.706 3.960 -0.003 0.000 0.260 207 G HA3 -0.252 3.706 3.960 -0.003 0.000 0.260 207 G C 0.497 175.398 174.900 0.001 0.000 0.976 207 G CA 0.340 45.440 45.100 -0.000 0.000 0.655 207 G HN 0.640 nan 8.290 nan 0.000 0.533 208 Q N 0.214 120.015 119.800 0.001 0.000 2.319 208 Q HA 0.168 4.506 4.340 -0.003 0.000 0.202 208 Q C 0.742 176.743 176.000 0.002 0.000 0.896 208 Q CA 0.586 56.390 55.803 0.002 0.000 0.942 208 Q CB 0.284 29.024 28.738 0.003 0.000 1.083 208 Q HN 0.600 nan 8.270 nan 0.000 0.510 209 D N 0.500 120.901 120.400 0.001 0.000 2.751 209 D HA -0.154 4.484 4.640 -0.003 0.000 0.233 209 D C 0.450 176.750 176.300 -0.001 0.000 1.149 209 D CA 1.349 55.349 54.000 -0.000 0.000 0.682 209 D CB -1.466 39.333 40.800 -0.001 0.000 1.068 209 D HN 0.373 nan 8.370 nan 0.000 0.429 210 G N -0.080 108.720 108.800 0.001 0.000 2.594 210 G HA2 0.274 4.232 3.960 -0.003 0.000 0.243 210 G HA3 0.274 4.232 3.960 -0.003 0.000 0.243 210 G C 0.920 175.819 174.900 -0.003 0.000 1.229 210 G CA -0.379 44.721 45.100 0.001 0.000 0.843 210 G HN 0.184 nan 8.290 nan 0.000 0.578 211 E N -0.276 119.921 120.200 -0.005 0.000 2.489 211 E HA 0.024 4.373 4.350 -0.003 0.000 0.204 211 E C -0.138 176.454 176.600 -0.014 0.000 1.006 211 E CA -0.079 56.315 56.400 -0.010 0.000 0.936 211 E CB 0.387 30.079 29.700 -0.012 0.000 1.002 211 E HN 0.775 nan 8.360 nan 0.000 0.488 212 D N 0.526 120.921 120.400 -0.009 0.000 2.357 212 D HA -0.035 4.603 4.640 -0.003 0.000 0.242 212 D C 1.103 177.398 176.300 -0.009 0.000 1.153 212 D CA -0.485 53.509 54.000 -0.010 0.000 0.918 212 D CB 1.128 41.928 40.800 0.000 0.000 1.181 212 D HN -0.167 nan 8.370 nan 0.000 0.435 213 L N 1.282 122.496 121.223 -0.015 0.000 2.129 213 L HA -0.120 4.218 4.340 -0.003 0.000 0.212 213 L C 1.782 178.662 176.870 0.015 0.000 1.087 213 L CA 1.509 56.343 54.840 -0.010 0.000 0.757 213 L CB -0.830 41.219 42.059 -0.018 0.000 0.896 213 L HN 0.679 nan 8.230 nan 0.000 0.434 214 L N -1.369 119.869 121.223 0.026 0.000 2.056 214 L HA -0.146 4.193 4.340 -0.003 0.000 0.207 214 L C 2.488 179.371 176.870 0.022 0.000 1.078 214 L CA 1.929 56.791 54.840 0.035 0.000 0.749 214 L CB -0.746 41.339 42.059 0.043 0.000 0.901 214 L HN 0.255 nan 8.230 nan 0.000 0.433 215 S N -0.307 115.401 115.700 0.014 0.000 2.382 215 S HA -0.158 4.310 4.470 -0.003 0.000 0.228 215 S C 2.077 176.680 174.600 0.005 0.000 1.027 215 S CA 1.079 59.284 58.200 0.008 0.000 0.991 215 S CB -0.532 62.671 63.200 0.004 0.000 0.823 215 S HN 0.668 nan 8.310 nan 0.000 0.469 216 A N 1.378 124.200 122.820 0.003 0.000 1.873 216 A HA 0.020 4.338 4.320 -0.003 0.000 0.215 216 A C 2.105 179.693 177.584 0.006 0.000 1.186 216 A CA 1.085 53.122 52.037 0.000 0.000 0.616 216 A CB -0.716 18.279 19.000 -0.007 0.000 0.823 216 A HN 0.446 nan 8.150 nan 0.000 0.442 217 L N -0.440 120.792 121.223 0.014 0.000 2.046 217 L HA -0.175 4.163 4.340 -0.003 0.000 0.208 217 L C 2.542 179.422 176.870 0.017 0.000 1.077 217 L CA 1.068 55.921 54.840 0.021 0.000 0.747 217 L CB -0.555 41.525 42.059 0.035 0.000 0.896 217 L HN 0.254 nan 8.230 nan 0.000 0.432 218 V N -0.305 119.618 119.914 0.015 0.000 2.287 218 V HA -0.320 3.798 4.120 -0.003 0.000 0.248 218 V C 2.635 178.732 176.094 0.006 0.000 1.053 218 V CA 1.859 64.165 62.300 0.010 0.000 1.027 218 V CB -0.576 31.251 31.823 0.007 0.000 0.646 218 V HN 0.369 nan 8.190 nan 0.000 0.447 219 R N -0.277 120.226 120.500 0.005 0.000 2.091 219 R HA -0.154 4.184 4.340 -0.003 0.000 0.238 219 R C 2.453 178.754 176.300 0.002 0.000 1.136 219 R CA 2.118 58.219 56.100 0.002 0.000 0.959 219 R CB -0.697 29.603 30.300 0.001 0.000 0.856 219 R HN 0.532 nan 8.270 nan 0.000 0.437 220 T N -0.829 113.728 114.554 0.004 0.000 2.777 220 T HA -0.154 4.194 4.350 -0.003 0.000 0.266 220 T C 1.802 176.504 174.700 0.004 0.000 1.040 220 T CA 1.629 63.732 62.100 0.005 0.000 1.141 220 T CB -0.302 68.570 68.868 0.007 0.000 0.868 220 T HN 0.286 nan 8.240 nan 0.000 0.444 221 S N 0.950 116.654 115.700 0.006 0.000 2.368 221 S HA -0.159 4.309 4.470 -0.003 0.000 0.225 221 S C 1.704 176.304 174.600 0.000 0.000 1.030 221 S CA 1.396 59.599 58.200 0.004 0.000 0.999 221 S CB -0.507 62.696 63.200 0.005 0.000 0.844 221 S HN 0.349 nan 8.310 nan 0.000 0.459 222 D N 0.948 121.348 120.400 0.000 0.000 2.264 222 D HA -0.010 4.629 4.640 -0.003 0.000 0.208 222 D C 1.991 178.290 176.300 -0.001 0.000 0.966 222 D CA 0.785 54.784 54.000 -0.001 0.000 0.864 222 D CB -0.204 40.596 40.800 -0.001 0.000 0.933 222 D HN 0.648 nan 8.370 nan 0.000 0.499 223 E N -0.233 119.967 120.200 -0.001 0.000 2.076 223 E HA -0.055 4.293 4.350 -0.003 0.000 0.190 223 E C 0.146 176.746 176.600 -0.001 0.000 0.979 223 E CA 0.662 57.061 56.400 -0.001 0.000 0.807 223 E CB 0.366 30.066 29.700 -0.000 0.000 0.761 223 E HN 0.030 nan 8.360 nan 0.000 0.454 224 D N -1.157 119.243 120.400 -0.001 0.000 2.375 224 D HA 0.128 4.766 4.640 -0.003 0.000 0.241 224 D C 0.386 176.684 176.300 -0.002 0.000 1.361 224 D CA -0.295 53.704 54.000 -0.001 0.000 0.995 224 D CB 1.104 41.904 40.800 0.000 0.000 1.312 224 D HN 0.027 nan 8.370 nan 0.000 0.576 225 G N 1.593 110.390 108.800 -0.005 0.000 2.559 225 G HA2 -0.149 3.810 3.960 -0.003 0.000 0.216 225 G HA3 -0.149 3.810 3.960 -0.003 0.000 0.216 225 G C 1.160 176.054 174.900 -0.010 0.000 1.126 225 G CA 0.701 45.795 45.100 -0.009 0.000 0.778 225 G HN 0.446 nan 8.290 nan 0.000 0.543 226 S N -0.595 115.101 115.700 -0.006 0.000 2.501 226 S HA 0.075 4.543 4.470 -0.003 0.000 0.220 226 S C 2.246 176.846 174.600 0.000 0.000 0.997 226 S CA 0.501 58.698 58.200 -0.004 0.000 0.919 226 S CB 0.034 63.233 63.200 -0.001 0.000 0.778 226 S HN 0.355 nan 8.310 nan 0.000 0.523 227 R N 0.345 120.846 120.500 0.001 0.000 2.100 227 R HA 0.343 4.681 4.340 -0.003 0.000 0.220 227 R C -0.315 175.989 176.300 0.007 0.000 1.091 227 R CA 0.864 56.967 56.100 0.005 0.000 0.986 227 R CB 0.035 30.337 30.300 0.004 0.000 0.888 227 R HN 0.364 nan 8.270 nan 0.000 0.444 228 L N 1.274 122.500 121.223 0.004 0.000 2.666 228 L HA 0.294 4.632 4.340 -0.003 0.000 0.258 228 L C -0.886 175.982 176.870 -0.003 0.000 0.991 228 L CA -0.221 54.623 54.840 0.006 0.000 0.916 228 L CB 1.157 43.223 42.059 0.013 0.000 1.199 228 L HN 0.276 nan 8.230 nan 0.000 0.439 229 T N -0.428 114.116 114.554 -0.017 0.000 2.802 229 T HA 0.146 4.494 4.350 -0.003 0.000 0.305 229 T C 1.223 175.906 174.700 -0.028 0.000 1.053 229 T CA 0.485 62.563 62.100 -0.035 0.000 1.058 229 T CB 1.197 70.020 68.868 -0.076 0.000 0.988 229 T HN 0.579 nan 8.240 nan 0.000 0.539 230 S N 0.153 115.834 115.700 -0.031 0.000 2.399 230 S HA -0.138 4.330 4.470 -0.003 0.000 0.231 230 S C 1.810 176.401 174.600 -0.015 0.000 1.022 230 S CA 1.587 59.776 58.200 -0.018 0.000 0.983 230 S CB -0.667 62.521 63.200 -0.020 0.000 0.803 230 S HN 0.817 nan 8.310 nan 0.000 0.480 231 E N 0.007 120.178 120.200 -0.048 0.000 2.347 231 E HA -0.037 4.311 4.350 -0.003 0.000 0.196 231 E C 1.909 178.525 176.600 0.028 0.000 1.008 231 E CA 0.763 57.144 56.400 -0.031 0.000 0.852 231 E CB 0.073 29.697 29.700 -0.127 0.000 0.783 231 E HN 0.669 nan 8.360 nan 0.000 0.505 232 E N -0.009 120.196 120.200 0.008 0.000 2.276 232 E HA -0.075 4.273 4.350 -0.003 0.000 0.193 232 E C 1.813 178.454 176.600 0.068 0.000 0.983 232 E CA 0.040 56.479 56.400 0.065 0.000 0.861 232 E CB 0.170 29.892 29.700 0.038 0.000 0.817 232 E HN 0.084 nan 8.360 nan 0.000 0.485 233 L N 1.175 122.424 121.223 0.043 0.000 2.056 233 L HA -0.116 4.222 4.340 -0.003 0.000 0.207 233 L C 2.063 178.974 176.870 0.069 0.000 1.078 233 L CA 1.285 56.153 54.840 0.047 0.000 0.749 233 L CB -0.316 41.760 42.059 0.028 0.000 0.901 233 L HN 0.137 nan 8.230 nan 0.000 0.433 234 L N -0.251 121.013 121.223 0.069 0.000 2.056 234 L HA 0.076 4.414 4.340 -0.003 0.000 0.207 234 L C 2.326 179.284 176.870 0.146 0.000 1.078 234 L CA 2.024 56.916 54.840 0.087 0.000 0.749 234 L CB -1.482 40.610 42.059 0.055 0.000 0.901 234 L HN 0.281 nan 8.230 nan 0.000 0.433 235 G N -0.660 108.235 108.800 0.159 0.000 2.418 235 G HA2 -0.340 3.619 3.960 -0.003 0.000 0.217 235 G HA3 -0.340 3.619 3.960 -0.003 0.000 0.217 235 G C 1.549 176.553 174.900 0.173 0.000 1.158 235 G CA 1.092 46.335 45.100 0.238 0.000 0.771 235 G HN 0.412 nan 8.290 nan 0.000 0.545 236 M N 1.661 121.330 119.600 0.114 0.000 2.067 236 M HA 0.187 4.665 4.480 -0.003 0.000 0.260 236 M C 2.724 179.070 176.300 0.076 0.000 1.069 236 M CA 1.735 57.078 55.300 0.073 0.000 1.117 236 M CB -0.679 31.963 32.600 0.072 0.000 1.334 236 M HN 0.216 nan 8.290 nan 0.000 0.407 237 A N -0.417 122.472 122.820 0.116 0.000 1.892 237 A HA -0.280 4.038 4.320 -0.003 0.000 0.218 237 A C 2.324 180.023 177.584 0.190 0.000 1.188 237 A CA 2.266 54.389 52.037 0.144 0.000 0.631 237 A CB -1.676 17.418 19.000 0.156 0.000 0.822 237 A HN 0.846 nan 8.150 nan 0.000 0.447 238 H N -1.143 118.009 119.070 0.137 0.000 2.319 238 H HA -0.135 4.419 4.556 -0.004 0.000 0.299 238 H C 2.018 177.426 175.328 0.134 0.000 1.092 238 H CA 1.881 58.023 56.048 0.156 0.000 1.302 238 H CB -0.236 29.577 29.762 0.085 0.000 1.373 238 H HN 0.360 nan 8.280 nan 0.000 0.497 239 I N 1.217 121.475 120.570 -0.519 0.000 2.394 239 I HA -0.181 3.987 4.170 -0.003 0.000 0.251 239 I C 2.361 178.378 176.117 -0.167 0.000 1.136 239 I CA 0.782 61.782 61.300 -0.500 0.000 1.425 239 I CB -0.269 37.522 38.000 -0.349 0.000 1.079 239 I HN 0.278 nan 8.210 nan 0.000 0.425 240 L N -0.894 120.292 121.223 -0.062 0.000 2.313 240 L HA -0.085 4.253 4.340 -0.003 0.000 0.214 240 L C 2.023 178.915 176.870 0.036 0.000 1.119 240 L CA 0.800 55.628 54.840 -0.020 0.000 0.809 240 L CB -0.396 41.699 42.059 0.059 0.000 0.933 240 L HN 0.212 nan 8.230 nan 0.000 0.449 241 L N -1.948 119.329 121.223 0.090 0.000 2.513 241 L HA 0.038 4.376 4.340 -0.003 0.000 0.222 241 L C 2.001 179.022 176.870 0.251 0.000 1.096 241 L CA -0.055 54.868 54.840 0.140 0.000 0.857 241 L CB 0.246 42.386 42.059 0.134 0.000 1.026 241 L HN -0.008 nan 8.230 nan 0.000 0.469 242 V N -0.328 119.725 119.914 0.232 0.000 2.627 242 V HA 0.077 4.196 4.120 -0.003 0.000 0.239 242 V C 2.577 178.786 176.094 0.193 0.000 1.077 242 V CA 1.273 63.746 62.300 0.289 0.000 1.103 242 V CB 0.051 32.072 31.823 0.330 0.000 0.802 242 V HN 0.321 nan 8.190 nan 0.000 0.482 243 A N 0.471 123.334 122.820 0.072 0.000 2.032 243 A HA -0.127 4.191 4.320 -0.003 0.000 0.221 243 A C 2.016 179.643 177.584 0.071 0.000 1.165 243 A CA 2.095 54.157 52.037 0.042 0.000 0.645 243 A CB -0.742 18.238 19.000 -0.033 0.000 0.807 243 A HN 0.609 nan 8.150 nan 0.000 0.453 244 G N -3.227 105.624 108.800 0.084 0.000 3.324 244 G HA2 0.210 4.168 3.960 -0.003 0.000 0.251 244 G HA3 0.210 4.168 3.960 -0.003 0.000 0.251 244 G C 1.028 176.001 174.900 0.121 0.000 1.072 244 G CA 0.476 45.625 45.100 0.083 0.000 0.787 244 G HN 0.553 nan 8.290 nan 0.000 0.537 245 H N 1.337 120.465 119.070 0.096 0.000 2.320 245 H HA 0.049 4.603 4.556 -0.003 0.000 0.312 245 H C 1.996 177.391 175.328 0.112 0.000 1.051 245 H CA 1.183 57.302 56.048 0.118 0.000 1.339 245 H CB 0.239 30.109 29.762 0.180 0.000 1.437 245 H HN 0.131 nan 8.280 nan 0.000 0.538 246 E N 0.235 120.685 120.200 0.416 0.000 2.265 246 E HA -0.109 4.239 4.350 -0.003 0.000 0.196 246 E C 2.179 178.860 176.600 0.134 0.000 0.996 246 E CA 1.308 57.858 56.400 0.249 0.000 0.832 246 E CB -0.459 29.327 29.700 0.144 0.000 0.756 246 E HN 0.705 nan 8.360 nan 0.000 0.491 247 T N -1.680 112.949 114.554 0.126 0.000 2.701 247 T HA -0.106 4.242 4.350 -0.003 0.000 0.263 247 T C 2.101 176.845 174.700 0.075 0.000 1.040 247 T CA 1.772 63.924 62.100 0.087 0.000 1.147 247 T CB -0.722 68.200 68.868 0.089 0.000 0.865 247 T HN -0.029 nan 8.240 nan 0.000 0.426 248 T N 1.630 116.229 114.554 0.075 0.000 2.821 248 T HA 0.013 4.362 4.350 -0.003 0.000 0.267 248 T C 2.145 176.872 174.700 0.046 0.000 1.046 248 T CA 1.048 63.185 62.100 0.062 0.000 1.139 248 T CB -0.575 68.316 68.868 0.039 0.000 0.871 248 T HN 0.209 nan 8.240 nan 0.000 0.454 249 V N 2.555 122.493 119.914 0.040 0.000 2.407 249 V HA -0.134 3.984 4.120 -0.003 0.000 0.248 249 V C 2.232 178.369 176.094 0.071 0.000 1.055 249 V CA 1.414 63.748 62.300 0.056 0.000 1.049 249 V CB -0.453 31.428 31.823 0.096 0.000 0.662 249 V HN 0.480 nan 8.190 nan 0.000 0.455 250 N N -0.285 118.458 118.700 0.072 0.000 2.416 250 N HA -0.019 4.720 4.740 -0.003 0.000 0.177 250 N C 1.595 177.148 175.510 0.071 0.000 1.036 250 N CA 0.580 53.673 53.050 0.071 0.000 0.901 250 N CB -0.038 38.494 38.487 0.076 0.000 0.976 250 N HN 0.379 nan 8.380 nan 0.000 0.444 251 L N 1.410 122.669 121.223 0.059 0.000 2.027 251 L HA 0.036 4.374 4.340 -0.003 0.000 0.206 251 L C 1.858 178.769 176.870 0.068 0.000 1.074 251 L CA 1.373 56.244 54.840 0.051 0.000 0.745 251 L CB -0.689 41.396 42.059 0.042 0.000 0.898 251 L HN 0.008 nan 8.230 nan 0.000 0.433 252 I N -0.172 120.438 120.570 0.067 0.000 2.179 252 I HA -0.278 3.890 4.170 -0.003 0.000 0.242 252 I C 2.600 178.762 176.117 0.074 0.000 1.088 252 I CA 1.257 62.598 61.300 0.069 0.000 1.357 252 I CB -0.724 37.311 38.000 0.057 0.000 1.051 252 I HN 0.376 nan 8.210 nan 0.000 0.409 253 A N 0.941 123.801 122.820 0.067 0.000 1.898 253 A HA -0.189 4.129 4.320 -0.003 0.000 0.216 253 A C 2.002 179.638 177.584 0.086 0.000 1.181 253 A CA 1.882 53.952 52.037 0.055 0.000 0.620 253 A CB -0.651 18.359 19.000 0.016 0.000 0.819 253 A HN 0.390 nan 8.150 nan 0.000 0.442 254 N N 0.169 118.930 118.700 0.102 0.000 2.309 254 N HA -0.048 4.691 4.740 -0.003 0.000 0.182 254 N C 1.678 177.288 175.510 0.166 0.000 1.018 254 N CA 1.278 54.430 53.050 0.170 0.000 0.876 254 N CB -0.513 38.072 38.487 0.164 0.000 0.972 254 N HN 0.477 nan 8.380 nan 0.000 0.434 255 G N 0.122 108.994 108.800 0.120 0.000 2.411 255 G HA2 -0.110 3.848 3.960 -0.003 0.000 0.213 255 G HA3 -0.110 3.848 3.960 -0.003 0.000 0.213 255 G C 1.408 176.367 174.900 0.100 0.000 1.166 255 G CA 0.276 45.440 45.100 0.106 0.000 0.802 255 G HN 0.088 nan 8.290 nan 0.000 0.533 256 M N -0.249 119.417 119.600 0.109 0.000 2.229 256 M HA 0.078 4.556 4.480 -0.003 0.000 0.264 256 M C 2.206 178.571 176.300 0.109 0.000 1.063 256 M CA 0.359 55.720 55.300 0.101 0.000 1.114 256 M CB -1.128 31.527 32.600 0.092 0.000 1.387 256 M HN 0.400 nan 8.290 nan 0.000 0.420 257 Y N 1.203 121.514 120.300 0.019 0.000 2.114 257 Y HA -0.126 4.422 4.550 -0.003 0.000 0.284 257 Y C 2.357 178.280 175.900 0.038 0.000 1.143 257 Y CA 1.985 60.098 58.100 0.023 0.000 1.135 257 Y CB -0.668 37.804 38.460 0.021 0.000 0.980 257 Y HN 0.177 nan 8.280 nan 0.000 0.499 258 A N 0.285 123.003 122.820 -0.171 0.000 1.892 258 A HA -0.224 4.095 4.320 -0.003 0.000 0.218 258 A C 2.212 179.634 177.584 -0.271 0.000 1.188 258 A CA 2.037 53.844 52.037 -0.382 0.000 0.631 258 A CB -1.321 17.219 19.000 -0.767 0.000 0.822 258 A HN 0.511 nan 8.150 nan 0.000 0.447 259 L N -0.421 120.734 121.223 -0.114 0.000 2.017 259 L HA -0.108 4.230 4.340 -0.003 0.000 0.208 259 L C 2.459 179.366 176.870 0.061 0.000 1.073 259 L CA 1.562 56.479 54.840 0.129 0.000 0.745 259 L CB -0.568 41.582 42.059 0.151 0.000 0.894 259 L HN 0.417 nan 8.230 nan 0.000 0.432 260 L N -1.120 120.090 121.223 -0.021 0.000 2.141 260 L HA -0.155 4.183 4.340 -0.003 0.000 0.209 260 L C 2.197 178.997 176.870 -0.117 0.000 1.094 260 L CA 1.338 56.155 54.840 -0.039 0.000 0.763 260 L CB -0.555 41.498 42.059 -0.010 0.000 0.908 260 L HN 0.433 nan 8.230 nan 0.000 0.437 261 S N -2.633 112.904 115.700 -0.273 0.000 2.593 261 S HA -0.022 4.447 4.470 -0.003 0.000 0.217 261 S C 0.335 174.668 174.600 -0.445 0.000 0.966 261 S CA -0.101 57.864 58.200 -0.391 0.000 0.914 261 S CB -0.292 62.479 63.200 -0.715 0.000 0.776 261 S HN 0.460 nan 8.310 nan 0.000 0.523 262 H N 0.495 119.514 119.070 -0.086 0.000 2.439 262 H HA 0.370 4.924 4.556 -0.003 0.000 0.228 262 H C -2.427 172.918 175.328 0.027 0.000 1.423 262 H CA -1.425 54.627 56.048 0.007 0.000 1.386 262 H CB 0.827 30.661 29.762 0.120 0.000 1.641 262 H HN 0.133 nan 8.280 nan 0.000 0.508 263 P HA -0.244 nan 4.420 nan 0.000 0.218 263 P C 1.195 178.531 177.300 0.059 0.000 1.150 263 P CA 1.400 64.529 63.100 0.049 0.000 0.841 263 P CB 0.435 32.145 31.700 0.016 0.000 0.784 264 D N -1.138 119.302 120.400 0.067 0.000 2.149 264 D HA -0.177 4.461 4.640 -0.003 0.000 0.198 264 D C 1.948 178.272 176.300 0.040 0.000 0.990 264 D CA 1.128 55.155 54.000 0.046 0.000 0.839 264 D CB -0.208 40.618 40.800 0.043 0.000 0.948 264 D HN 0.263 nan 8.370 nan 0.000 0.460 265 Q N 0.122 119.967 119.800 0.075 0.000 2.212 265 Q HA -0.014 4.324 4.340 -0.003 0.000 0.199 265 Q C 2.279 178.316 176.000 0.062 0.000 0.950 265 Q CA 0.018 55.843 55.803 0.038 0.000 0.863 265 Q CB -0.367 28.394 28.738 0.038 0.000 0.944 265 Q HN 0.292 nan 8.270 nan 0.000 0.465 266 L N 0.699 121.980 121.223 0.096 0.000 2.131 266 L HA -0.062 4.276 4.340 -0.003 0.000 0.210 266 L C 1.882 178.779 176.870 0.044 0.000 1.092 266 L CA 1.944 56.830 54.840 0.076 0.000 0.759 266 L CB -0.927 41.174 42.059 0.071 0.000 0.903 266 L HN 0.099 nan 8.230 nan 0.000 0.435 267 A N -0.296 122.544 122.820 0.035 0.000 1.929 267 A HA 0.004 4.323 4.320 -0.003 0.000 0.216 267 A C 2.485 180.076 177.584 0.012 0.000 1.176 267 A CA 1.364 53.413 52.037 0.021 0.000 0.628 267 A CB -0.640 18.370 19.000 0.017 0.000 0.816 267 A HN 0.529 nan 8.150 nan 0.000 0.444 268 A N -0.453 122.370 122.820 0.006 0.000 1.902 268 A HA -0.047 4.271 4.320 -0.003 0.000 0.217 268 A C 2.108 179.689 177.584 -0.005 0.000 1.181 268 A CA 1.790 53.822 52.037 -0.009 0.000 0.623 268 A CB -0.557 18.425 19.000 -0.030 0.000 0.818 268 A HN 0.537 nan 8.150 nan 0.000 0.443 269 L N -0.446 120.780 121.223 0.004 0.000 2.072 269 L HA -0.032 4.306 4.340 -0.003 0.000 0.205 269 L C 2.476 179.355 176.870 0.015 0.000 1.079 269 L CA 1.583 56.429 54.840 0.010 0.000 0.752 269 L CB -0.630 41.445 42.059 0.026 0.000 0.906 269 L HN 0.291 nan 8.230 nan 0.000 0.436 270 R N -0.622 119.890 120.500 0.020 0.000 2.083 270 R HA -0.152 4.186 4.340 -0.003 0.000 0.237 270 R C 2.072 178.379 176.300 0.012 0.000 1.137 270 R CA 1.545 57.656 56.100 0.018 0.000 0.951 270 R CB -0.682 29.630 30.300 0.019 0.000 0.851 270 R HN 0.491 nan 8.270 nan 0.000 0.434 271 A N 0.420 123.245 122.820 0.009 0.000 2.014 271 A HA -0.115 4.204 4.320 -0.003 0.000 0.218 271 A C 0.466 178.051 177.584 0.003 0.000 1.163 271 A CA 1.074 53.114 52.037 0.005 0.000 0.652 271 A CB 0.098 19.099 19.000 0.002 0.000 0.808 271 A HN 0.239 nan 8.150 nan 0.000 0.449 272 D N -1.336 119.065 120.400 0.002 0.000 2.363 272 D HA 0.297 4.935 4.640 -0.003 0.000 0.258 272 D C 0.594 176.896 176.300 0.003 0.000 1.259 272 D CA -0.438 53.562 54.000 0.000 0.000 0.921 272 D CB 0.266 41.062 40.800 -0.006 0.000 1.201 272 D HN -0.067 nan 8.370 nan 0.000 0.524 273 M N 1.219 120.823 119.600 0.007 0.000 2.539 273 M HA -0.067 4.411 4.480 -0.003 0.000 0.261 273 M C 1.675 177.982 176.300 0.012 0.000 1.069 273 M CA 0.962 56.269 55.300 0.012 0.000 1.081 273 M CB -1.030 31.578 32.600 0.014 0.000 1.412 273 M HN 0.514 nan 8.290 nan 0.000 0.482 274 T N -3.229 111.329 114.554 0.007 0.000 3.163 274 T HA 0.033 4.382 4.350 -0.003 0.000 0.260 274 T C 1.460 176.163 174.700 0.005 0.000 1.156 274 T CA 0.409 62.514 62.100 0.007 0.000 1.072 274 T CB -0.387 68.483 68.868 0.004 0.000 0.937 274 T HN 0.395 nan 8.240 nan 0.000 0.528 275 L N 0.111 121.334 121.223 0.001 0.000 2.585 275 L HA 0.331 4.670 4.340 -0.003 0.000 0.226 275 L C 2.353 179.225 176.870 0.003 0.000 1.113 275 L CA -0.163 54.673 54.840 -0.007 0.000 0.876 275 L CB -0.350 41.696 42.059 -0.022 0.000 1.072 275 L HN 0.190 nan 8.230 nan 0.000 0.468 276 L N 0.840 122.074 121.223 0.017 0.000 1.963 276 L HA -0.299 4.039 4.340 -0.003 0.000 0.220 276 L C 1.863 178.759 176.870 0.043 0.000 1.076 276 L CA 2.371 57.230 54.840 0.032 0.000 0.772 276 L CB -0.517 41.563 42.059 0.035 0.000 0.892 276 L HN 0.351 nan 8.230 nan 0.000 0.435 277 D N -0.337 120.091 120.400 0.046 0.000 2.182 277 D HA -0.127 4.512 4.640 -0.003 0.000 0.201 277 D C 2.054 178.392 176.300 0.064 0.000 0.986 277 D CA 1.364 55.403 54.000 0.065 0.000 0.847 277 D CB -0.417 40.422 40.800 0.064 0.000 0.942 277 D HN 0.565 nan 8.370 nan 0.000 0.467 278 G N 0.462 109.283 108.800 0.036 0.000 2.403 278 G HA2 -0.072 3.886 3.960 -0.003 0.000 0.216 278 G HA3 -0.072 3.886 3.960 -0.003 0.000 0.216 278 G C 1.673 176.569 174.900 -0.008 0.000 1.154 278 G CA 0.819 45.930 45.100 0.018 0.000 0.784 278 G HN 0.383 nan 8.290 nan 0.000 0.538 279 A N 0.172 122.986 122.820 -0.011 0.000 1.969 279 A HA 0.155 4.473 4.320 -0.003 0.000 0.218 279 A C 2.509 180.125 177.584 0.053 0.000 1.169 279 A CA 1.550 53.574 52.037 -0.022 0.000 0.635 279 A CB -0.366 18.636 19.000 0.003 0.000 0.810 279 A HN 0.227 nan 8.150 nan 0.000 0.445 280 V N 0.090 120.046 119.914 0.070 0.000 2.453 280 V HA -0.141 3.977 4.120 -0.003 0.000 0.247 280 V C 2.436 178.569 176.094 0.064 0.000 1.048 280 V CA 1.815 64.170 62.300 0.092 0.000 1.049 280 V CB -0.568 31.319 31.823 0.107 0.000 0.672 280 V HN 0.474 nan 8.190 nan 0.000 0.457 281 E N 0.119 120.357 120.200 0.063 0.000 2.150 281 E HA -0.218 4.130 4.350 -0.003 0.000 0.193 281 E C 2.191 178.744 176.600 -0.079 0.000 0.985 281 E CA 1.188 57.610 56.400 0.037 0.000 0.814 281 E CB -0.105 29.679 29.700 0.141 0.000 0.752 281 E HN 0.656 nan 8.360 nan 0.000 0.466 282 E N 0.495 120.675 120.200 -0.034 0.000 2.152 282 E HA -0.069 4.279 4.350 -0.003 0.000 0.192 282 E C 1.992 178.682 176.600 0.149 0.000 0.983 282 E CA 0.827 57.198 56.400 -0.048 0.000 0.818 282 E CB -0.110 29.445 29.700 -0.242 0.000 0.758 282 E HN 0.174 nan 8.360 nan 0.000 0.467 283 M N -0.316 119.409 119.600 0.209 0.000 2.067 283 M HA -0.117 4.361 4.480 -0.003 0.000 0.260 283 M C 2.206 178.530 176.300 0.040 0.000 1.069 283 M CA 1.405 56.852 55.300 0.245 0.000 1.117 283 M CB -0.370 32.336 32.600 0.177 0.000 1.334 283 M HN 0.136 nan 8.290 nan 0.000 0.407 284 L N -0.654 120.495 121.223 -0.123 0.000 2.021 284 L HA -0.302 4.036 4.340 -0.003 0.000 0.215 284 L C 2.738 179.382 176.870 -0.377 0.000 1.074 284 L CA 1.544 56.198 54.840 -0.311 0.000 0.760 284 L CB -0.731 40.984 42.059 -0.573 0.000 0.889 284 L HN 0.322 nan 8.230 nan 0.000 0.433 285 R N -1.003 119.210 120.500 -0.478 0.000 2.070 285 R HA -0.226 4.112 4.340 -0.003 0.000 0.232 285 R C 2.482 178.608 176.300 -0.289 0.000 1.138 285 R CA 2.066 57.799 56.100 -0.612 0.000 0.936 285 R CB -0.510 29.503 30.300 -0.478 0.000 0.839 285 R HN 0.239 nan 8.270 nan 0.000 0.429 286 Y N 0.712 120.902 120.300 -0.184 0.000 2.200 286 Y HA -0.103 4.445 4.550 -0.003 0.000 0.290 286 Y C 0.448 176.331 175.900 -0.028 0.000 1.137 286 Y CA 1.383 59.438 58.100 -0.076 0.000 1.163 286 Y CB 0.473 39.020 38.460 0.145 0.000 0.988 286 Y HN 0.048 nan 8.280 nan 0.000 0.518 287 E N 0.151 120.312 120.200 -0.065 0.000 4.230 287 E HA 0.216 4.564 4.350 -0.003 0.000 0.218 287 E C -0.128 176.490 176.600 0.031 0.000 1.140 287 E CA 0.128 56.490 56.400 -0.063 0.000 1.405 287 E CB 0.152 29.805 29.700 -0.079 0.000 1.193 287 E HN 0.351 nan 8.360 nan 0.000 0.423 288 G N 2.175 110.988 108.800 0.022 0.000 2.554 288 G HA2 0.136 4.094 3.960 -0.003 0.000 0.238 288 G HA3 0.136 4.094 3.960 -0.003 0.000 0.238 288 G C -1.155 173.765 174.900 0.034 0.000 1.259 288 G CA -0.695 44.402 45.100 -0.006 0.000 0.843 288 G HN -0.016 nan 8.290 nan 0.000 0.582 289 P HA -0.048 nan 4.420 nan 0.000 0.221 289 P C 0.575 177.899 177.300 0.040 0.000 1.150 289 P CA 0.375 63.502 63.100 0.045 0.000 0.800 289 P CB 0.232 31.957 31.700 0.042 0.000 0.787 290 V N 2.115 122.043 119.914 0.022 0.000 2.356 290 V HA 0.081 4.199 4.120 -0.003 0.000 0.258 290 V C 1.927 178.034 176.094 0.022 0.000 1.065 290 V CA 0.227 62.542 62.300 0.026 0.000 0.935 290 V CB 0.215 32.048 31.823 0.018 0.000 1.061 290 V HN 0.062 nan 8.190 nan 0.000 0.484 291 E N 3.136 123.349 120.200 0.022 0.000 2.072 291 E HA -0.032 4.316 4.350 -0.003 0.000 0.190 291 E C 0.418 176.984 176.600 -0.058 0.000 0.982 291 E CA 0.721 57.122 56.400 0.002 0.000 0.803 291 E CB 0.363 30.077 29.700 0.024 0.000 0.755 291 E HN 0.674 nan 8.360 nan 0.000 0.453 292 S N -0.480 115.200 115.700 -0.033 0.000 2.548 292 S HA 0.594 5.062 4.470 -0.003 0.000 0.276 292 S C -0.799 173.786 174.600 -0.024 0.000 1.129 292 S CA -0.607 57.554 58.200 -0.065 0.000 0.931 292 S CB 1.832 64.999 63.200 -0.055 0.000 1.068 292 S HN 0.401 nan 8.310 nan 0.000 0.480 293 A N 2.251 125.042 122.820 -0.048 0.000 2.429 293 A HA 0.544 4.862 4.320 -0.003 0.000 0.242 293 A C 0.938 178.519 177.584 -0.005 0.000 1.088 293 A CA -0.088 51.930 52.037 -0.031 0.000 0.784 293 A CB -0.401 18.563 19.000 -0.059 0.000 1.038 293 A HN 0.919 nan 8.150 nan 0.000 0.501 294 T N -1.150 113.399 114.554 -0.007 0.000 2.856 294 T HA 0.323 4.671 4.350 -0.003 0.000 0.306 294 T C -0.080 174.629 174.700 0.014 0.000 1.062 294 T CA -0.231 61.886 62.100 0.028 0.000 1.083 294 T CB -0.106 68.744 68.868 -0.030 0.000 0.984 294 T HN 0.324 nan 8.240 nan 0.000 0.542 295 Y N 1.604 121.754 120.300 -0.249 0.000 2.969 295 Y HA 0.117 4.665 4.550 -0.003 0.000 0.339 295 Y C 1.394 176.791 175.900 -0.838 0.000 1.272 295 Y CA 0.084 57.875 58.100 -0.515 0.000 1.577 295 Y CB -0.270 37.848 38.460 -0.570 0.000 1.234 295 Y HN 0.555 nan 8.280 nan 0.000 0.590 296 R N 2.961 123.017 120.500 -0.740 0.000 2.807 296 R HA 0.663 5.001 4.340 -0.003 0.000 0.276 296 R C -1.706 174.134 176.300 -0.766 0.000 0.979 296 R CA -0.942 54.754 56.100 -0.674 0.000 0.928 296 R CB 1.762 31.909 30.300 -0.255 0.000 1.191 296 R HN 0.465 nan 8.270 nan 0.000 0.471 297 F N 2.143 122.092 119.950 -0.003 0.000 2.579 297 F HA 0.355 4.880 4.527 -0.003 0.000 0.325 297 F C -2.141 173.636 175.800 -0.038 0.000 1.162 297 F CA -2.381 55.595 58.000 -0.040 0.000 0.946 297 F CB 1.901 40.831 39.000 -0.118 0.000 1.211 297 F HN 0.205 nan 8.300 nan 0.000 0.447 298 P HA 0.067 nan 4.420 nan 0.000 0.271 298 P C 0.594 177.809 177.300 -0.141 0.000 1.216 298 P CA -0.094 62.860 63.100 -0.244 0.000 0.771 298 P CB 2.027 33.450 31.700 -0.461 0.000 0.864 299 V N 0.388 120.205 119.914 -0.162 0.000 3.217 299 V HA 0.021 4.140 4.120 -0.003 0.000 0.264 299 V C 1.305 177.333 176.094 -0.110 0.000 1.135 299 V CA 2.147 64.390 62.300 -0.095 0.000 1.142 299 V CB -1.427 30.352 31.823 -0.073 0.000 0.754 299 V HN 0.797 nan 8.190 nan 0.000 0.484 300 E N -0.780 119.321 120.200 -0.165 0.000 2.430 300 E HA 0.606 4.955 4.350 -0.003 0.000 0.279 300 E C -3.108 173.379 176.600 -0.188 0.000 1.003 300 E CA -1.983 54.330 56.400 -0.145 0.000 0.801 300 E CB 0.750 30.375 29.700 -0.126 0.000 1.313 300 E HN 0.060 nan 8.360 nan 0.000 0.459 301 P HA 0.245 nan 4.420 nan 0.000 0.262 301 P C -0.703 176.483 177.300 -0.190 0.000 1.182 301 P CA -0.033 62.969 63.100 -0.163 0.000 0.761 301 P CB 0.657 32.287 31.700 -0.116 0.000 0.795 302 V N 3.905 123.689 119.914 -0.217 0.000 2.325 302 V HA 0.154 4.272 4.120 -0.003 0.000 0.280 302 V C 0.098 176.113 176.094 -0.133 0.000 1.016 302 V CA -0.572 61.614 62.300 -0.190 0.000 0.818 302 V CB 1.316 32.996 31.823 -0.239 0.000 1.019 302 V HN 0.503 nan 8.190 nan 0.000 0.434 303 D N 5.397 125.740 120.400 -0.096 0.000 2.339 303 D HA 0.262 4.900 4.640 -0.003 0.000 0.256 303 D C -0.605 175.667 176.300 -0.046 0.000 1.214 303 D CA 0.077 54.033 54.000 -0.073 0.000 0.877 303 D CB 0.991 41.759 40.800 -0.054 0.000 1.111 303 D HN 0.435 nan 8.370 nan 0.000 0.478 304 L N 4.549 125.742 121.223 -0.050 0.000 2.366 304 L HA 0.201 4.539 4.340 -0.003 0.000 0.266 304 L C 0.806 177.662 176.870 -0.024 0.000 1.010 304 L CA -0.486 54.337 54.840 -0.028 0.000 0.879 304 L CB 1.151 43.190 42.059 -0.033 0.000 1.228 304 L HN 0.454 nan 8.230 nan 0.000 0.439 305 D N 2.655 123.050 120.400 -0.009 0.000 3.077 305 D HA -0.198 4.440 4.640 -0.003 0.000 0.212 305 D C 0.931 177.233 176.300 0.004 0.000 1.125 305 D CA 1.469 55.470 54.000 0.003 0.000 0.970 305 D CB -0.303 40.503 40.800 0.011 0.000 1.110 305 D HN 1.024 nan 8.370 nan 0.000 0.419 306 G N -1.794 107.001 108.800 -0.008 0.000 2.192 306 G HA2 -0.199 3.760 3.960 -0.003 0.000 0.193 306 G HA3 -0.199 3.760 3.960 -0.003 0.000 0.193 306 G C 0.232 175.126 174.900 -0.010 0.000 0.999 306 G CA 0.420 45.517 45.100 -0.005 0.000 0.659 306 G HN 0.545 nan 8.290 nan 0.000 0.503 307 T N 1.540 116.078 114.554 -0.027 0.000 2.733 307 T HA 0.551 4.899 4.350 -0.003 0.000 0.294 307 T C 0.061 174.686 174.700 -0.124 0.000 0.956 307 T CA -0.303 61.770 62.100 -0.046 0.000 0.987 307 T CB 2.395 71.237 68.868 -0.044 0.000 0.920 307 T HN 0.452 nan 8.240 nan 0.000 0.470 308 V N 5.666 125.492 119.914 -0.147 0.000 2.318 308 V HA 0.357 4.475 4.120 -0.003 0.000 0.271 308 V C 0.310 176.166 176.094 -0.397 0.000 1.030 308 V CA -0.801 61.373 62.300 -0.210 0.000 0.844 308 V CB 0.453 32.201 31.823 -0.125 0.000 1.015 308 V HN 0.823 nan 8.190 nan 0.000 0.460 309 I N 8.417 128.661 120.570 -0.544 0.000 2.441 309 I HA 0.296 4.464 4.170 -0.003 0.000 0.287 309 I C -1.797 174.055 176.117 -0.442 0.000 1.049 309 I CA -1.683 59.103 61.300 -0.856 0.000 1.381 309 I CB 1.670 39.141 38.000 -0.882 0.000 1.409 309 I HN 0.408 nan 8.210 nan 0.000 0.523 310 P HA 0.144 nan 4.420 nan 0.000 0.274 310 P C -0.656 176.576 177.300 -0.113 0.000 1.231 310 P CA -0.419 62.600 63.100 -0.135 0.000 0.790 310 P CB 0.932 32.619 31.700 -0.022 0.000 0.951 311 A N 1.772 124.538 122.820 -0.090 0.000 2.531 311 A HA 0.409 4.727 4.320 -0.003 0.000 0.236 311 A C 1.514 179.081 177.584 -0.028 0.000 1.062 311 A CA 0.839 52.832 52.037 -0.075 0.000 0.760 311 A CB -1.440 17.517 19.000 -0.071 0.000 0.995 311 A HN 0.896 nan 8.150 nan 0.000 0.501 312 G N 1.699 110.498 108.800 -0.002 0.000 2.199 312 G HA2 -0.207 3.751 3.960 -0.003 0.000 0.254 312 G HA3 -0.207 3.751 3.960 -0.003 0.000 0.254 312 G C 0.010 174.951 174.900 0.067 0.000 0.982 312 G CA 0.491 45.592 45.100 0.002 0.000 0.632 312 G HN 0.871 nan 8.290 nan 0.000 0.529 313 D N 1.010 121.476 120.400 0.111 0.000 2.339 313 D HA 0.540 5.178 4.640 -0.003 0.000 0.245 313 D C 0.751 177.206 176.300 0.258 0.000 1.115 313 D CA 0.459 54.577 54.000 0.196 0.000 0.917 313 D CB 0.817 41.764 40.800 0.244 0.000 1.192 313 D HN 0.054 nan 8.370 nan 0.000 0.428 314 T N 0.975 115.659 114.554 0.217 0.000 2.869 314 T HA 0.428 4.777 4.350 -0.003 0.000 0.295 314 T C -0.280 174.412 174.700 -0.013 0.000 0.987 314 T CA -0.390 61.721 62.100 0.019 0.000 1.109 314 T CB 0.644 69.363 68.868 -0.248 0.000 0.932 314 T HN -0.011 nan 8.240 nan 0.000 0.518 315 V N 4.884 124.695 119.914 -0.172 0.000 2.638 315 V HA 0.485 4.603 4.120 -0.003 0.000 0.306 315 V C -0.602 175.369 176.094 -0.206 0.000 1.052 315 V CA -0.882 61.357 62.300 -0.101 0.000 0.885 315 V CB 1.834 33.622 31.823 -0.059 0.000 0.999 315 V HN 0.698 nan 8.190 nan 0.000 0.424 316 L N 4.589 125.726 121.223 -0.144 0.000 2.325 316 L HA 0.593 4.931 4.340 -0.003 0.000 0.281 316 L C -0.539 176.249 176.870 -0.138 0.000 1.004 316 L CA -0.859 53.904 54.840 -0.128 0.000 0.823 316 L CB 2.016 44.027 42.059 -0.081 0.000 1.236 316 L HN 0.352 nan 8.230 nan 0.000 0.415 317 V N 4.287 124.103 119.914 -0.162 0.000 2.408 317 V HA 0.090 4.209 4.120 -0.003 0.000 0.267 317 V C 0.467 176.454 176.094 -0.179 0.000 1.047 317 V CA -0.498 61.693 62.300 -0.183 0.000 0.937 317 V CB 1.540 33.244 31.823 -0.198 0.000 0.999 317 V HN 0.448 nan 8.190 nan 0.000 0.472 318 V N 7.594 127.374 119.914 -0.223 0.000 2.302 318 V HA 0.072 4.190 4.120 -0.003 0.000 0.244 318 V C 1.458 177.390 176.094 -0.269 0.000 1.160 318 V CA 0.081 62.185 62.300 -0.326 0.000 1.127 318 V CB -0.290 31.181 31.823 -0.587 0.000 1.253 318 V HN 0.769 nan 8.190 nan 0.000 0.496 319 L N 3.073 124.157 121.223 -0.232 0.000 2.127 319 L HA -0.195 4.143 4.340 -0.003 0.000 0.211 319 L C 2.670 179.300 176.870 -0.399 0.000 1.089 319 L CA 1.724 56.367 54.840 -0.327 0.000 0.757 319 L CB -0.665 41.259 42.059 -0.224 0.000 0.899 319 L HN 0.677 nan 8.230 nan 0.000 0.434 320 A N 0.380 123.115 122.820 -0.142 0.000 1.908 320 A HA -0.307 4.011 4.320 -0.003 0.000 0.218 320 A C 2.007 179.692 177.584 0.167 0.000 1.181 320 A CA 2.286 54.401 52.037 0.131 0.000 0.627 320 A CB -0.706 18.455 19.000 0.268 0.000 0.818 320 A HN 0.474 nan 8.150 nan 0.000 0.445 321 D N -0.754 119.677 120.400 0.052 0.000 2.183 321 D HA 0.063 4.702 4.640 -0.003 0.000 0.203 321 D C 1.953 178.320 176.300 0.111 0.000 0.969 321 D CA 1.183 55.264 54.000 0.135 0.000 0.842 321 D CB -0.129 40.719 40.800 0.080 0.000 0.957 321 D HN 0.353 nan 8.370 nan 0.000 0.484 322 A N -0.624 122.217 122.820 0.034 0.000 1.969 322 A HA -0.151 4.167 4.320 -0.003 0.000 0.218 322 A C 1.638 179.425 177.584 0.338 0.000 1.169 322 A CA 1.216 53.371 52.037 0.197 0.000 0.635 322 A CB -0.891 18.177 19.000 0.114 0.000 0.810 322 A HN 0.485 nan 8.150 nan 0.000 0.445 323 H N -1.689 117.437 119.070 0.093 0.000 2.556 323 H HA 0.132 4.686 4.556 -0.003 0.000 0.268 323 H C 0.887 176.029 175.328 -0.310 0.000 0.996 323 H CA -0.067 55.822 56.048 -0.265 0.000 1.157 323 H CB 0.397 30.000 29.762 -0.264 0.000 1.355 323 H HN 0.170 nan 8.280 nan 0.000 0.597 324 R N 0.154 120.672 120.500 0.030 0.000 2.572 324 R HA 0.117 4.455 4.340 -0.003 0.000 0.370 324 R C -0.184 176.134 176.300 0.029 0.000 1.005 324 R CA -0.014 56.051 56.100 -0.059 0.000 1.146 324 R CB 0.239 30.510 30.300 -0.049 0.000 1.390 324 R HN 0.004 nan 8.270 nan 0.000 0.553 325 T N 3.226 117.878 114.554 0.163 0.000 2.848 325 T HA 0.129 4.478 4.350 -0.003 0.000 0.283 325 T C -1.749 173.030 174.700 0.132 0.000 0.919 325 T CA -1.196 61.006 62.100 0.170 0.000 1.071 325 T CB 1.299 70.315 68.868 0.246 0.000 0.912 325 T HN -0.079 nan 8.240 nan 0.000 0.570 326 P HA -0.230 nan 4.420 nan 0.000 0.219 326 P C 1.405 178.715 177.300 0.015 0.000 1.158 326 P CA 1.246 64.361 63.100 0.025 0.000 0.895 326 P CB 0.228 31.940 31.700 0.021 0.000 0.792 327 E N -0.999 119.210 120.200 0.016 0.000 2.048 327 E HA -0.253 4.095 4.350 -0.003 0.000 0.202 327 E C 2.118 178.657 176.600 -0.101 0.000 1.021 327 E CA 1.638 58.026 56.400 -0.019 0.000 0.825 327 E CB -0.805 28.901 29.700 0.011 0.000 0.756 327 E HN 0.108 nan 8.360 nan 0.000 0.454 328 R N 0.098 120.500 120.500 -0.163 0.000 2.062 328 R HA 0.018 4.356 4.340 -0.003 0.000 0.229 328 R C -0.047 175.889 176.300 -0.606 0.000 1.128 328 R CA 1.072 56.873 56.100 -0.498 0.000 0.960 328 R CB -0.290 29.481 30.300 -0.881 0.000 0.855 328 R HN 0.159 nan 8.270 nan 0.000 0.432 329 F N 1.768 121.612 119.950 -0.177 0.000 2.359 329 F HA 0.452 4.977 4.527 -0.003 0.000 0.370 329 F C -2.079 173.654 175.800 -0.112 0.000 1.077 329 F CA -2.973 54.945 58.000 -0.137 0.000 1.136 329 F CB 1.454 40.385 39.000 -0.114 0.000 1.387 329 F HN -0.086 nan 8.300 nan 0.000 0.468 330 P HA -0.059 nan 4.420 nan 0.000 0.261 330 P C -0.012 177.290 177.300 0.003 0.000 1.183 330 P CA 0.728 63.828 63.100 0.000 0.000 0.761 330 P CB 0.370 32.057 31.700 -0.022 0.000 0.785 331 D N 3.725 124.115 120.400 -0.015 0.000 2.746 331 D HA -0.128 4.510 4.640 -0.003 0.000 0.241 331 D C -1.504 174.755 176.300 -0.069 0.000 1.140 331 D CA 0.161 54.145 54.000 -0.026 0.000 0.707 331 D CB -0.778 40.019 40.800 -0.005 0.000 1.034 331 D HN 0.248 nan 8.370 nan 0.000 0.423 332 P HA -0.133 nan 4.420 nan 0.000 0.221 332 P C 1.011 178.187 177.300 -0.207 0.000 1.145 332 P CA 1.006 63.975 63.100 -0.219 0.000 0.795 332 P CB 0.050 31.566 31.700 -0.306 0.000 0.775 333 H N -1.645 117.450 119.070 0.042 0.000 2.547 333 H HA 0.136 4.690 4.556 -0.003 0.000 0.266 333 H C 0.909 176.288 175.328 0.085 0.000 0.988 333 H CA 0.260 56.364 56.048 0.092 0.000 1.147 333 H CB -0.153 29.650 29.762 0.067 0.000 1.365 333 H HN 0.066 nan 8.280 nan 0.000 0.589 334 R N 1.132 121.664 120.500 0.054 0.000 2.210 334 R HA 0.080 4.418 4.340 -0.003 0.000 0.338 334 R C -1.118 175.024 176.300 -0.263 0.000 1.062 334 R CA -0.493 55.574 56.100 -0.056 0.000 0.902 334 R CB -0.455 29.816 30.300 -0.049 0.000 1.050 334 R HN -0.126 nan 8.270 nan 0.000 0.461 335 F N 5.048 124.559 119.950 -0.732 0.000 2.434 335 F HA 0.265 4.790 4.527 -0.003 0.000 0.358 335 F C -0.695 174.767 175.800 -0.563 0.000 1.136 335 F CA -0.549 56.810 58.000 -1.068 0.000 1.157 335 F CB 0.544 38.421 39.000 -1.872 0.000 1.167 335 F HN 0.544 nan 8.300 nan 0.000 0.539 336 D N 7.438 127.367 120.400 -0.784 0.000 2.469 336 D HA 0.118 4.756 4.640 -0.003 0.000 0.251 336 D C 1.032 176.962 176.300 -0.617 0.000 1.173 336 D CA -0.355 53.302 54.000 -0.570 0.000 0.882 336 D CB 0.911 41.532 40.800 -0.298 0.000 1.129 336 D HN 0.688 nan 8.370 nan 0.000 0.549 337 I N 0.942 121.132 120.570 -0.635 0.000 3.241 337 I HA 0.000 4.168 4.170 -0.003 0.000 0.280 337 I C 1.027 177.004 176.117 -0.233 0.000 1.320 337 I CA 0.383 61.416 61.300 -0.445 0.000 1.413 337 I CB 0.093 37.891 38.000 -0.337 0.000 1.060 337 I HN 0.056 nan 8.210 nan 0.000 0.500 338 R N 1.153 121.533 120.500 -0.199 0.000 2.397 338 R HA 0.240 4.579 4.340 -0.003 0.000 0.241 338 R C 0.915 177.158 176.300 -0.095 0.000 0.914 338 R CA -0.436 55.593 56.100 -0.118 0.000 1.071 338 R CB 0.095 30.337 30.300 -0.097 0.000 1.116 338 R HN 0.343 nan 8.270 nan 0.000 0.524 339 R N 2.343 122.772 120.500 -0.118 0.000 2.679 339 R HA -0.059 4.279 4.340 -0.003 0.000 0.268 339 R C -0.602 175.684 176.300 -0.024 0.000 1.044 339 R CA 0.076 56.133 56.100 -0.071 0.000 1.105 339 R CB 0.457 30.710 30.300 -0.078 0.000 0.989 339 R HN -0.177 nan 8.270 nan 0.000 0.447 340 D N 2.490 122.885 120.400 -0.008 0.000 2.342 340 D HA -0.026 4.612 4.640 -0.003 0.000 0.260 340 D C 0.824 177.162 176.300 0.064 0.000 1.278 340 D CA 0.149 54.154 54.000 0.008 0.000 0.910 340 D CB 1.125 41.911 40.800 -0.024 0.000 1.079 340 D HN 0.605 nan 8.370 nan 0.000 0.496 341 T N 1.106 115.728 114.554 0.113 0.000 3.067 341 T HA 0.218 4.566 4.350 -0.003 0.000 0.257 341 T C 1.115 175.969 174.700 0.257 0.000 1.105 341 T CA 0.122 62.370 62.100 0.248 0.000 1.104 341 T CB -0.182 68.833 68.868 0.244 0.000 0.925 341 T HN 0.478 nan 8.240 nan 0.000 0.498 342 A N 1.066 123.956 122.820 0.118 0.000 2.602 342 A HA 0.372 4.690 4.320 -0.003 0.000 0.257 342 A C 1.758 179.361 177.584 0.032 0.000 0.973 342 A CA 0.744 52.812 52.037 0.051 0.000 0.862 342 A CB -1.313 17.686 19.000 -0.003 0.000 0.855 342 A HN 1.669 nan 8.150 nan 0.000 0.492 343 G N 1.676 110.498 108.800 0.037 0.000 2.232 343 G HA2 -0.238 3.720 3.960 -0.003 0.000 0.226 343 G HA3 -0.238 3.720 3.960 -0.003 0.000 0.226 343 G C 0.330 175.411 174.900 0.302 0.000 0.996 343 G CA 0.601 45.760 45.100 0.099 0.000 0.626 343 G HN 2.189 nan 8.290 nan 0.000 0.509 344 H N 0.639 119.949 119.070 0.400 0.000 2.998 344 H HA 0.294 4.849 4.556 -0.003 0.000 0.353 344 H C 0.733 176.357 175.328 0.493 0.000 1.099 344 H CA 0.626 56.953 56.048 0.466 0.000 1.393 344 H CB 0.564 30.361 29.762 0.060 0.000 1.343 344 H HN 0.264 nan 8.280 nan 0.000 0.609 345 L N 2.505 124.261 121.223 0.887 0.000 2.965 345 L HA 0.238 4.576 4.340 -0.003 0.000 0.254 345 L C 2.208 179.398 176.870 0.533 0.000 1.220 345 L CA 0.182 55.351 54.840 0.549 0.000 1.023 345 L CB 0.206 42.452 42.059 0.311 0.000 1.355 345 L HN 0.773 nan 8.230 nan 0.000 0.545 346 A N 0.157 123.415 122.820 0.730 0.000 2.024 346 A HA -0.115 4.203 4.320 -0.003 0.000 0.220 346 A C 1.700 179.295 177.584 0.017 0.000 1.164 346 A CA 1.648 53.861 52.037 0.293 0.000 0.643 346 A CB -0.467 18.487 19.000 -0.077 0.000 0.806 346 A HN 0.487 nan 8.150 nan 0.000 0.451 347 F N -1.245 118.877 119.950 0.286 0.000 2.654 347 F HA 0.421 4.946 4.527 -0.003 0.000 0.303 347 F C 1.380 177.115 175.800 -0.108 0.000 1.099 347 F CA 0.400 58.370 58.000 -0.050 0.000 1.270 347 F CB 0.588 39.402 39.000 -0.309 0.000 1.024 347 F HN 0.496 nan 8.300 nan 0.000 0.548 348 G N 0.597 109.590 108.800 0.322 0.000 2.660 348 G HA2 -0.108 3.850 3.960 -0.003 0.000 0.247 348 G HA3 -0.108 3.850 3.960 -0.003 0.000 0.247 348 G C -1.624 173.602 174.900 0.544 0.000 1.328 348 G CA -0.732 44.563 45.100 0.325 0.000 0.884 348 G HN 0.469 nan 8.290 nan 0.000 0.531 349 H N -0.602 118.648 119.070 0.300 0.000 3.087 349 H HA 0.698 5.253 4.556 -0.002 0.000 0.348 349 H C 0.400 175.826 175.328 0.163 0.000 1.092 349 H CA 1.813 58.001 56.048 0.232 0.000 1.285 349 H CB 1.187 31.018 29.762 0.116 0.000 1.875 349 H HN 2.698 nan 8.280 nan 0.000 0.512 350 G N 2.731 111.300 108.800 -0.384 0.000 2.526 350 G HA2 -0.192 3.766 3.960 -0.003 0.000 0.250 350 G HA3 -0.192 3.766 3.960 -0.003 0.000 0.250 350 G C 1.228 176.083 174.900 -0.075 0.000 1.289 350 G CA -0.149 44.756 45.100 -0.324 0.000 0.947 350 G HN 1.237 nan 8.290 nan 0.000 0.517 351 I N -2.555 117.945 120.570 -0.117 0.000 2.657 351 I HA -0.073 4.095 4.170 -0.003 0.000 0.261 351 I C 1.551 177.598 176.117 -0.117 0.000 1.212 351 I CA 1.943 63.166 61.300 -0.128 0.000 1.453 351 I CB -0.322 37.503 38.000 -0.292 0.000 1.092 351 I HN 0.458 nan 8.210 nan 0.000 0.452 352 H N 0.705 119.787 119.070 0.020 0.000 2.524 352 H HA 0.201 4.755 4.556 -0.004 0.000 0.280 352 H C 0.040 175.462 175.328 0.157 0.000 1.018 352 H CA -0.517 55.588 56.048 0.095 0.000 1.165 352 H CB -0.197 29.566 29.762 0.001 0.000 1.411 352 H HN 0.331 nan 8.280 nan 0.000 0.569 353 F N 2.037 122.066 119.950 0.131 0.000 2.612 353 F HA -0.082 4.443 4.527 -0.003 0.000 0.389 353 F C 0.897 176.760 175.800 0.104 0.000 1.055 353 F CA -0.551 57.524 58.000 0.125 0.000 1.232 353 F CB 0.279 39.328 39.000 0.082 0.000 1.044 353 F HN 0.145 nan 8.300 nan 0.000 0.560 354 C N 9.125 128.048 119.300 -0.629 0.000 2.067 354 C HA -0.111 4.347 4.460 -0.003 0.000 0.408 354 C C 2.001 176.751 174.990 -0.400 0.000 1.539 354 C CA 0.011 58.745 59.018 -0.473 0.000 1.434 354 C CB -1.992 25.483 27.740 -0.441 0.000 2.621 354 C HN 0.984 nan 8.230 nan 0.000 0.610 355 I N 4.727 125.165 120.570 -0.220 0.000 2.546 355 I HA 0.044 4.212 4.170 -0.003 0.000 0.255 355 I C 2.067 177.999 176.117 -0.308 0.000 1.163 355 I CA 1.725 62.908 61.300 -0.194 0.000 1.457 355 I CB -0.129 37.739 38.000 -0.220 0.000 1.092 355 I HN 0.922 nan 8.210 nan 0.000 0.434 356 G N -0.432 108.136 108.800 -0.387 0.000 3.088 356 G HA2 0.092 4.050 3.960 -0.003 0.000 0.212 356 G HA3 0.092 4.050 3.960 -0.003 0.000 0.212 356 G C 1.588 176.337 174.900 -0.253 0.000 1.173 356 G CA 0.487 45.390 45.100 -0.328 0.000 0.779 356 G HN 0.473 nan 8.290 nan 0.000 0.540 357 A N 2.046 124.574 122.820 -0.487 0.000 1.903 357 A HA -0.054 4.264 4.320 -0.003 0.000 0.219 357 A C 0.655 178.020 177.584 -0.366 0.000 1.191 357 A CA 1.900 53.392 52.037 -0.910 0.000 0.638 357 A CB -1.112 17.137 19.000 -1.251 0.000 0.823 357 A HN 0.360 nan 8.150 nan 0.000 0.451 358 P HA -0.139 nan 4.420 nan 0.000 0.215 358 P C 1.726 179.046 177.300 0.033 0.000 1.157 358 P CA 1.077 64.172 63.100 -0.008 0.000 0.868 358 P CB -0.088 31.639 31.700 0.044 0.000 0.788 359 L N -0.466 120.792 121.223 0.058 0.000 2.056 359 L HA -0.062 4.277 4.340 -0.003 0.000 0.207 359 L C 2.182 179.098 176.870 0.076 0.000 1.078 359 L CA 2.044 56.936 54.840 0.087 0.000 0.749 359 L CB -1.555 40.594 42.059 0.150 0.000 0.901 359 L HN -0.133 nan 8.230 nan 0.000 0.433 360 A N -0.217 122.648 122.820 0.076 0.000 1.877 360 A HA -0.231 4.087 4.320 -0.003 0.000 0.216 360 A C 2.440 180.128 177.584 0.174 0.000 1.186 360 A CA 1.907 54.031 52.037 0.146 0.000 0.620 360 A CB -0.607 18.556 19.000 0.271 0.000 0.822 360 A HN 0.508 nan 8.150 nan 0.000 0.443 361 R N -1.198 119.413 120.500 0.185 0.000 2.091 361 R HA -0.148 4.190 4.340 -0.003 0.000 0.238 361 R C 2.151 178.523 176.300 0.120 0.000 1.136 361 R CA 1.494 57.705 56.100 0.186 0.000 0.959 361 R CB -0.627 29.777 30.300 0.173 0.000 0.856 361 R HN 0.511 nan 8.270 nan 0.000 0.437 362 L N 1.651 122.928 121.223 0.090 0.000 2.012 362 L HA -0.196 4.142 4.340 -0.003 0.000 0.210 362 L C 1.769 178.674 176.870 0.059 0.000 1.073 362 L CA 1.882 56.761 54.840 0.066 0.000 0.748 362 L CB -0.405 41.687 42.059 0.054 0.000 0.891 362 L HN 0.139 nan 8.230 nan 0.000 0.431 363 E N -0.439 119.797 120.200 0.060 0.000 2.047 363 E HA -0.198 4.150 4.350 -0.003 0.000 0.191 363 E C 2.173 178.804 176.600 0.052 0.000 0.987 363 E CA 1.164 57.591 56.400 0.045 0.000 0.799 363 E CB -0.375 29.347 29.700 0.036 0.000 0.752 363 E HN 0.661 nan 8.360 nan 0.000 0.449 364 A N 1.578 124.443 122.820 0.075 0.000 1.877 364 A HA -0.215 4.103 4.320 -0.003 0.000 0.216 364 A C 2.093 179.721 177.584 0.074 0.000 1.186 364 A CA 1.493 53.578 52.037 0.079 0.000 0.620 364 A CB -0.472 18.590 19.000 0.104 0.000 0.822 364 A HN 0.072 nan 8.150 nan 0.000 0.443 365 R N -0.522 120.026 120.500 0.079 0.000 2.083 365 R HA -0.104 4.234 4.340 -0.003 0.000 0.237 365 R C 2.044 178.376 176.300 0.053 0.000 1.137 365 R CA 1.816 57.957 56.100 0.069 0.000 0.951 365 R CB -0.537 29.805 30.300 0.070 0.000 0.851 365 R HN 0.590 nan 8.270 nan 0.000 0.434 366 I N 0.275 120.872 120.570 0.046 0.000 2.252 366 I HA -0.237 3.931 4.170 -0.003 0.000 0.245 366 I C 2.581 178.717 176.117 0.031 0.000 1.102 366 I CA 1.191 62.511 61.300 0.034 0.000 1.385 366 I CB -0.411 37.605 38.000 0.026 0.000 1.064 366 I HN 0.225 nan 8.210 nan 0.000 0.414 367 A N 0.463 123.303 122.820 0.033 0.000 1.898 367 A HA -0.119 4.199 4.320 -0.003 0.000 0.216 367 A C 2.438 180.045 177.584 0.039 0.000 1.181 367 A CA 1.403 53.458 52.037 0.031 0.000 0.620 367 A CB -0.875 18.143 19.000 0.029 0.000 0.819 367 A HN 0.216 nan 8.150 nan 0.000 0.442 368 V N 0.251 120.194 119.914 0.048 0.000 2.255 368 V HA -0.303 3.815 4.120 -0.003 0.000 0.247 368 V C 2.683 178.805 176.094 0.046 0.000 1.051 368 V CA 2.468 64.800 62.300 0.055 0.000 1.018 368 V CB -0.812 31.051 31.823 0.066 0.000 0.641 368 V HN 0.695 nan 8.190 nan 0.000 0.445 369 R N 0.115 120.640 120.500 0.041 0.000 2.080 369 R HA -0.199 4.139 4.340 -0.003 0.000 0.236 369 R C 2.365 178.682 176.300 0.029 0.000 1.137 369 R CA 1.829 57.950 56.100 0.034 0.000 0.943 369 R CB -0.611 29.707 30.300 0.030 0.000 0.846 369 R HN 0.472 nan 8.270 nan 0.000 0.431 370 A N 1.294 124.130 122.820 0.027 0.000 1.896 370 A HA -0.229 4.090 4.320 -0.003 0.000 0.220 370 A C 2.259 179.857 177.584 0.024 0.000 1.206 370 A CA 1.923 53.974 52.037 0.022 0.000 0.647 370 A CB -0.809 18.203 19.000 0.019 0.000 0.828 370 A HN 0.394 nan 8.150 nan 0.000 0.455 371 L N -1.537 119.703 121.223 0.028 0.000 2.046 371 L HA -0.170 4.168 4.340 -0.003 0.000 0.208 371 L C 2.497 179.385 176.870 0.029 0.000 1.077 371 L CA 0.807 55.665 54.840 0.030 0.000 0.747 371 L CB -0.536 41.545 42.059 0.036 0.000 0.896 371 L HN 0.290 nan 8.230 nan 0.000 0.432 372 L N -0.326 120.916 121.223 0.032 0.000 2.046 372 L HA -0.198 4.140 4.340 -0.003 0.000 0.208 372 L C 2.537 179.422 176.870 0.024 0.000 1.077 372 L CA 1.679 56.537 54.840 0.031 0.000 0.747 372 L CB -0.707 41.372 42.059 0.034 0.000 0.896 372 L HN 0.253 nan 8.230 nan 0.000 0.432 373 E N -1.012 119.202 120.200 0.022 0.000 2.001 373 E HA -0.172 4.176 4.350 -0.003 0.000 0.193 373 E C 2.273 178.883 176.600 0.016 0.000 0.994 373 E CA 0.936 57.347 56.400 0.018 0.000 0.815 373 E CB -0.097 29.613 29.700 0.016 0.000 0.770 373 E HN 0.390 nan 8.360 nan 0.000 0.453 374 R N 0.579 121.089 120.500 0.016 0.000 2.151 374 R HA -0.072 4.266 4.340 -0.003 0.000 0.220 374 R C 1.471 177.780 176.300 0.016 0.000 1.120 374 R CA 0.875 56.983 56.100 0.015 0.000 0.882 374 R CB -1.149 29.160 30.300 0.015 0.000 0.806 374 R HN 0.239 nan 8.270 nan 0.000 0.440 375 C N 3.642 122.953 119.300 0.018 0.000 2.075 375 C HA -0.038 4.420 4.460 -0.003 0.000 0.436 375 C C -0.531 174.470 174.990 0.017 0.000 1.437 375 C CA -1.022 58.007 59.018 0.018 0.000 1.484 375 C CB -0.882 26.871 27.740 0.022 0.000 2.727 375 C HN 0.505 nan 8.230 nan 0.000 0.622 376 P HA -0.137 nan 4.420 nan 0.000 0.211 376 P C 0.409 177.717 177.300 0.014 0.000 1.179 376 P CA 1.663 64.771 63.100 0.013 0.000 0.910 376 P CB 0.115 31.822 31.700 0.011 0.000 0.785 377 D N 0.270 120.678 120.400 0.013 0.000 3.168 377 D HA 0.174 4.812 4.640 -0.003 0.000 0.255 377 D C 0.213 176.522 176.300 0.015 0.000 1.314 377 D CA -0.520 53.488 54.000 0.013 0.000 0.900 377 D CB -0.285 40.522 40.800 0.011 0.000 1.072 377 D HN 0.038 nan 8.370 nan 0.000 0.487 378 L N 1.776 123.010 121.223 0.018 0.000 2.534 378 L HA 0.285 4.623 4.340 -0.003 0.000 0.271 378 L C -0.186 176.697 176.870 0.022 0.000 1.178 378 L CA 0.126 54.979 54.840 0.022 0.000 0.907 378 L CB -0.107 41.967 42.059 0.026 0.000 1.164 378 L HN 0.210 nan 8.230 nan 0.000 0.482 379 A N 4.948 127.782 122.820 0.022 0.000 2.601 379 A HA 0.553 4.871 4.320 -0.003 0.000 0.291 379 A C -1.263 176.337 177.584 0.027 0.000 1.075 379 A CA -0.863 51.187 52.037 0.021 0.000 0.671 379 A CB 0.626 19.635 19.000 0.014 0.000 1.277 379 A HN 0.566 nan 8.150 nan 0.000 0.417 380 L N 1.060 122.302 121.223 0.031 0.000 2.455 380 L HA 0.197 4.535 4.340 -0.003 0.000 0.272 380 L C 0.186 177.075 176.870 0.032 0.000 1.174 380 L CA 0.135 55.003 54.840 0.048 0.000 0.869 380 L CB 0.463 42.566 42.059 0.073 0.000 1.130 380 L HN 0.848 nan 8.230 nan 0.000 0.474 381 D N 3.022 123.437 120.400 0.026 0.000 2.895 381 D HA 0.368 5.006 4.640 -0.003 0.000 0.258 381 D C -0.743 175.562 176.300 0.008 0.000 1.311 381 D CA 0.064 54.072 54.000 0.014 0.000 0.843 381 D CB 0.466 41.271 40.800 0.008 0.000 1.055 381 D HN 0.176 nan 8.370 nan 0.000 0.486 382 V N -0.131 119.792 119.914 0.016 0.000 3.234 382 V HA 0.342 4.460 4.120 -0.003 0.000 0.280 382 V C -1.204 174.905 176.094 0.026 0.000 1.580 382 V CA -0.548 61.757 62.300 0.009 0.000 1.032 382 V CB 1.845 33.662 31.823 -0.010 0.000 1.203 382 V HN 0.234 nan 8.190 nan 0.000 0.459 383 S N 4.483 120.196 115.700 0.021 0.000 2.528 383 S HA 0.448 4.916 4.470 -0.003 0.000 0.277 383 S C -1.954 172.678 174.600 0.054 0.000 1.297 383 S CA -0.574 57.648 58.200 0.036 0.000 1.052 383 S CB 1.204 64.419 63.200 0.025 0.000 0.917 383 S HN 0.675 nan 8.310 nan 0.000 0.492 384 P HA -0.083 nan 4.420 nan 0.000 0.217 384 P C 1.711 179.075 177.300 0.107 0.000 1.148 384 P CA 1.621 64.814 63.100 0.156 0.000 0.834 384 P CB -0.334 31.509 31.700 0.239 0.000 0.783 385 G N -0.230 108.618 108.800 0.079 0.000 2.448 385 G HA2 -0.273 3.685 3.960 -0.003 0.000 0.219 385 G HA3 -0.273 3.685 3.960 -0.003 0.000 0.219 385 G C 1.447 176.366 174.900 0.032 0.000 1.127 385 G CA 0.548 45.685 45.100 0.061 0.000 0.766 385 G HN 0.351 nan 8.290 nan 0.000 0.552 386 E N -0.577 119.627 120.200 0.008 0.000 2.502 386 E HA 0.154 4.503 4.350 -0.003 0.000 0.194 386 E C 0.711 177.270 176.600 -0.069 0.000 1.062 386 E CA -0.439 55.947 56.400 -0.025 0.000 0.867 386 E CB -0.104 29.581 29.700 -0.026 0.000 0.888 386 E HN 0.290 nan 8.360 nan 0.000 0.510 387 L N 1.182 122.355 121.223 -0.084 0.000 2.436 387 L HA 0.240 4.578 4.340 -0.003 0.000 0.265 387 L C -0.430 176.304 176.870 -0.227 0.000 1.168 387 L CA -0.593 54.105 54.840 -0.237 0.000 0.815 387 L CB 1.483 43.328 42.059 -0.357 0.000 1.109 387 L HN -0.094 nan 8.230 nan 0.000 0.462 388 V N 0.848 120.532 119.914 -0.383 0.000 2.577 388 V HA 0.380 4.499 4.120 -0.003 0.000 0.303 388 V C -0.909 174.967 176.094 -0.362 0.000 1.042 388 V CA -0.659 61.493 62.300 -0.247 0.000 0.872 388 V CB 1.568 33.266 31.823 -0.210 0.000 0.998 388 V HN 0.616 nan 8.190 nan 0.000 0.423 389 W N 2.148 123.351 121.300 -0.163 0.000 2.671 389 W HA 0.701 5.359 4.660 -0.003 0.000 0.360 389 W C -0.674 175.767 176.519 -0.130 0.000 1.128 389 W CA -0.921 56.358 57.345 -0.109 0.000 1.184 389 W CB 0.639 30.040 29.460 -0.098 0.000 1.415 389 W HN 0.417 nan 8.180 nan 0.000 0.604 390 Y N 1.712 122.132 120.300 0.199 0.000 2.316 390 Y HA 0.194 4.743 4.550 -0.003 0.000 0.331 390 Y C -1.197 174.762 175.900 0.098 0.000 1.083 390 Y CA -1.813 56.355 58.100 0.114 0.000 1.206 390 Y CB 0.572 39.088 38.460 0.093 0.000 1.195 390 Y HN 0.173 nan 8.280 nan 0.000 0.497 391 P HA -0.182 nan 4.420 nan 0.000 0.218 391 P C 0.037 177.467 177.300 0.217 0.000 1.149 391 P CA 0.989 64.201 63.100 0.187 0.000 0.817 391 P CB 0.154 31.952 31.700 0.164 0.000 0.785 392 N N 0.974 119.806 118.700 0.221 0.000 2.223 392 N HA -0.084 4.654 4.740 -0.003 0.000 0.271 392 N C -1.320 174.303 175.510 0.190 0.000 1.315 392 N CA -0.223 52.946 53.050 0.198 0.000 0.835 392 N CB 0.503 39.095 38.487 0.175 0.000 1.066 392 N HN 0.120 nan 8.380 nan 0.000 0.486 393 P HA -0.066 nan 4.420 nan 0.000 0.242 393 P C 0.960 178.359 177.300 0.163 0.000 1.197 393 P CA 0.860 64.116 63.100 0.260 0.000 0.765 393 P CB 0.297 32.205 31.700 0.347 0.000 0.936 394 M N -1.224 118.459 119.600 0.137 0.000 2.486 394 M HA 0.136 4.614 4.480 -0.003 0.000 0.264 394 M C 0.749 177.095 176.300 0.076 0.000 1.125 394 M CA 0.449 55.810 55.300 0.101 0.000 1.144 394 M CB 0.372 33.045 32.600 0.121 0.000 1.353 394 M HN -0.107 nan 8.290 nan 0.000 0.466 395 I N 0.069 120.688 120.570 0.081 0.000 2.533 395 I HA 0.360 4.528 4.170 -0.003 0.000 0.290 395 I C -0.634 175.531 176.117 0.081 0.000 1.056 395 I CA -0.684 60.655 61.300 0.065 0.000 1.057 395 I CB 1.566 39.591 38.000 0.041 0.000 1.240 395 I HN -0.077 nan 8.210 nan 0.000 0.423 396 R N 5.471 126.021 120.500 0.084 0.000 2.198 396 R HA 0.824 5.162 4.340 -0.003 0.000 0.339 396 R C -0.733 175.702 176.300 0.226 0.000 1.020 396 R CA -0.138 56.041 56.100 0.131 0.000 0.864 396 R CB 0.737 31.079 30.300 0.070 0.000 1.105 396 R HN 0.881 nan 8.270 nan 0.000 0.463 397 G N 3.333 112.340 108.800 0.345 0.000 2.703 397 G HA2 0.390 4.349 3.960 -0.003 0.000 0.294 397 G HA3 0.390 4.349 3.960 -0.003 0.000 0.294 397 G C -1.562 173.489 174.900 0.252 0.000 1.451 397 G CA -0.852 44.406 45.100 0.263 0.000 0.869 397 G HN 0.434 nan 8.290 nan 0.000 0.516 398 L N 0.684 121.846 121.223 -0.102 0.000 2.379 398 L HA 0.459 4.798 4.340 -0.003 0.000 0.269 398 L C 1.728 178.546 176.870 -0.088 0.000 1.084 398 L CA -0.775 53.823 54.840 -0.404 0.000 0.802 398 L CB 1.910 43.548 42.059 -0.702 0.000 1.175 398 L HN 0.746 nan 8.230 nan 0.000 0.448 399 K N 1.098 121.384 120.400 -0.190 0.000 2.186 399 K HA 0.219 4.537 4.320 -0.003 0.000 0.202 399 K C 0.224 176.757 176.600 -0.112 0.000 1.052 399 K CA 0.735 56.960 56.287 -0.102 0.000 0.965 399 K CB 0.391 32.732 32.500 -0.265 0.000 0.746 399 K HN 0.743 nan 8.250 nan 0.000 0.457 400 A N 0.354 123.062 122.820 -0.187 0.000 2.609 400 A HA 0.587 4.905 4.320 -0.003 0.000 0.291 400 A C -1.889 175.580 177.584 -0.192 0.000 1.096 400 A CA -0.708 51.238 52.037 -0.151 0.000 0.684 400 A CB 1.614 20.535 19.000 -0.132 0.000 1.282 400 A HN 0.110 nan 8.150 nan 0.000 0.412 401 L N 1.122 122.271 121.223 -0.124 0.000 2.472 401 L HA 0.443 4.781 4.340 -0.003 0.000 0.256 401 L C -2.880 173.964 176.870 -0.042 0.000 1.560 401 L CA -1.331 53.444 54.840 -0.107 0.000 0.805 401 L CB 1.064 43.073 42.059 -0.084 0.000 1.017 401 L HN 0.314 nan 8.230 nan 0.000 0.519 402 P HA 0.253 nan 4.420 nan 0.000 0.263 402 P C -0.480 176.823 177.300 0.005 0.000 1.195 402 P CA 0.468 63.557 63.100 -0.018 0.000 0.762 402 P CB 0.460 32.144 31.700 -0.026 0.000 0.799 403 I N 0.953 121.531 120.570 0.012 0.000 3.002 403 I HA 0.820 4.988 4.170 -0.003 0.000 0.310 403 I C -0.179 175.948 176.117 0.016 0.000 1.087 403 I CA -1.549 59.764 61.300 0.022 0.000 1.017 403 I CB 2.712 40.730 38.000 0.030 0.000 1.226 403 I HN 0.287 nan 8.210 nan 0.000 0.443 404 R N 1.916 122.426 120.500 0.017 0.000 2.885 404 R HA 0.957 5.296 4.340 -0.003 0.000 0.260 404 R C -1.345 174.963 176.300 0.014 0.000 1.107 404 R CA -0.324 55.784 56.100 0.013 0.000 0.978 404 R CB 0.879 31.185 30.300 0.010 0.000 1.227 404 R HN 1.093 nan 8.270 nan 0.000 0.473 405 W N 0.000 121.307 121.300 0.012 0.000 2.388 405 W HA 0.000 4.658 4.660 -0.003 0.000 0.303 405 W CA 0.000 nan 57.345 nan 0.000 1.226 405 W CB 0.000 nan 29.460 nan 0.000 1.126 405 W HN 0.000 nan 8.180 nan 0.000 0.535