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 2wye_1_B DATA FIRST_RESID 1 DATA SEQUENCE SNAIAVGSER SADGKGMLLA NPHFPWNGAM RFYQMHLTIP GRLDVMGASL DATA SEQUENCE PGLPVVNIGF SRHLAWTHTV DTSSHFTLYR LALDPKDPRR YLVDGRSLPL DATA SEQUENCE EEKSVAIEVR GADGKLSRVE HKVYQSIYGP LVVWPGKLDW NRSEAYALRD DATA SEQUENCE ANLENTRVLQ QWYSINQASD VADLRRRVEA LQGIPWVNTL AADEQGNALY DATA SEQUENCE MNQSVVPYLK PELIPAcAIP QLVAEGLPAL QGQDSRcAWS RDPAAAQAGI DATA SEQUENCE TPAAQLPVLL RRDFVQNSND SAWLTNPASP LQGFSPLVSQ EKPIGPRARY DATA SEQUENCE ALSRLQGKQP LEAKTLEEMV TANHVFSADQ VLPDLLRLcR DNQGEKSLAR DATA SEQUENCE AcAALAQWDR GANLDSGSGF VYFQRFMQRF AELDGAWKEP FDAQRPLDTP DATA SEQUENCE QGIALDRPQV ATQVRQALAD AAAEVEKSGI PDGARWGDLQ VSTRGQERIA DATA SEQUENCE IPGGDGHFGV YNAIQSVRKG DHLEVVGGTS YIQLVTFPEE GPKARGLLAF DATA SEQUENCE SQSSDPRSPH YRDQTELFSR QQWQTLPFSD RQIDADPQLQ RLSIRE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.352 174.600 -0.414 0.000 1.055 1 S CA 0.000 57.914 58.200 -0.477 0.000 1.107 1 S CB 0.000 63.217 63.200 0.029 0.000 0.593 2 N N 0.771 119.172 118.700 -0.498 0.000 2.272 2 N HA 0.845 5.584 4.740 -0.000 0.000 0.305 2 N C -1.007 174.449 175.510 -0.089 0.000 1.103 2 N CA -0.622 52.263 53.050 -0.274 0.000 0.791 2 N CB 2.107 40.221 38.487 -0.621 0.000 1.356 2 N HN 0.838 nan 8.380 nan 0.000 0.486 3 A N 1.199 124.048 122.820 0.048 0.000 2.488 3 A HA 0.742 5.062 4.320 -0.000 0.000 0.298 3 A C -1.220 176.453 177.584 0.150 0.000 1.044 3 A CA -0.561 51.529 52.037 0.089 0.000 0.693 3 A CB 0.938 20.002 19.000 0.106 0.000 1.272 3 A HN 0.586 nan 8.150 nan 0.000 0.402 4 I N 1.622 122.273 120.570 0.135 0.000 2.478 4 I HA 0.590 4.760 4.170 -0.000 0.000 0.287 4 I C 0.214 176.404 176.117 0.123 0.000 1.042 4 I CA -0.520 60.864 61.300 0.139 0.000 1.067 4 I CB 2.146 40.208 38.000 0.103 0.000 1.233 4 I HN 0.766 nan 8.210 nan 0.000 0.431 5 A N 6.451 129.366 122.820 0.158 0.000 2.318 5 A HA 0.850 5.170 4.320 -0.000 0.000 0.324 5 A C -0.726 176.959 177.584 0.169 0.000 1.170 5 A CA -0.516 51.609 52.037 0.147 0.000 0.810 5 A CB 1.234 20.325 19.000 0.152 0.000 1.198 5 A HN 0.436 nan 8.150 nan 0.000 0.484 6 V N 2.145 122.142 119.914 0.138 0.000 2.555 6 V HA 0.746 4.865 4.120 -0.000 0.000 0.302 6 V C 0.894 177.059 176.094 0.118 0.000 1.038 6 V CA 0.027 62.411 62.300 0.140 0.000 0.887 6 V CB 1.672 33.550 31.823 0.093 0.000 0.991 6 V HN 1.155 nan 8.190 nan 0.000 0.434 7 G N 1.419 110.283 108.800 0.107 0.000 2.753 7 G HA2 0.456 4.415 3.960 -0.000 0.000 0.285 7 G HA3 0.456 4.415 3.960 -0.000 0.000 0.285 7 G C 1.006 175.942 174.900 0.061 0.000 1.344 7 G CA 0.276 45.421 45.100 0.075 0.000 1.050 7 G HN 0.828 nan 8.290 nan 0.000 0.532 8 S N -1.227 114.498 115.700 0.043 0.000 2.442 8 S HA -0.108 4.361 4.470 -0.000 0.000 0.236 8 S C 1.495 176.113 174.600 0.030 0.000 1.007 8 S CA 1.704 59.924 58.200 0.034 0.000 0.965 8 S CB -0.190 63.022 63.200 0.020 0.000 0.773 8 S HN 0.661 nan 8.310 nan 0.000 0.504 9 E N 0.277 120.496 120.200 0.031 0.000 2.427 9 E HA 0.110 4.460 4.350 -0.000 0.000 0.196 9 E C 1.842 178.464 176.600 0.037 0.000 1.028 9 E CA 0.262 56.679 56.400 0.028 0.000 0.864 9 E CB 0.162 29.875 29.700 0.021 0.000 0.813 9 E HN 0.337 nan 8.360 nan 0.000 0.514 10 R N -0.368 120.163 120.500 0.051 0.000 2.492 10 R HA 0.174 4.514 4.340 -0.000 0.000 0.219 10 R C 0.830 177.148 176.300 0.031 0.000 0.886 10 R CA 0.049 56.180 56.100 0.051 0.000 1.003 10 R CB 0.309 30.665 30.300 0.094 0.000 1.345 10 R HN -0.091 nan 8.270 nan 0.000 0.631 11 S N 0.603 116.326 115.700 0.038 0.000 2.572 11 S HA 0.269 4.739 4.470 -0.000 0.000 0.279 11 S C 1.367 175.977 174.600 0.016 0.000 1.341 11 S CA 0.324 58.541 58.200 0.028 0.000 1.043 11 S CB 1.311 64.538 63.200 0.046 0.000 0.887 11 S HN 0.339 nan 8.310 nan 0.000 0.516 12 A N 3.043 125.866 122.820 0.005 0.000 1.972 12 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 12 A C 1.498 179.086 177.584 0.007 0.000 1.169 12 A CA 1.752 53.788 52.037 -0.001 0.000 0.635 12 A CB -0.512 18.481 19.000 -0.013 0.000 0.810 12 A HN 0.937 nan 8.150 nan 0.000 0.446 13 D N -2.828 117.582 120.400 0.017 0.000 2.369 13 D HA 0.279 4.918 4.640 -0.000 0.000 0.211 13 D C 1.140 177.459 176.300 0.032 0.000 1.077 13 D CA 0.795 54.810 54.000 0.024 0.000 0.842 13 D CB -0.558 40.261 40.800 0.032 0.000 0.947 13 D HN 0.737 nan 8.370 nan 0.000 0.509 14 G N 0.225 109.045 108.800 0.032 0.000 2.148 14 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.254 14 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.254 14 G C 0.170 175.095 174.900 0.043 0.000 0.981 14 G CA 0.547 45.666 45.100 0.032 0.000 0.670 14 G HN 0.509 nan 8.290 nan 0.000 0.528 15 K N -0.411 120.028 120.400 0.065 0.000 2.313 15 K HA 0.643 4.962 4.320 -0.000 0.000 0.235 15 K C 0.830 177.507 176.600 0.128 0.000 1.035 15 K CA -0.512 55.830 56.287 0.092 0.000 0.868 15 K CB 1.310 33.890 32.500 0.134 0.000 1.232 15 K HN 0.266 nan 8.250 nan 0.000 0.459 16 G N 0.600 109.503 108.800 0.172 0.000 2.527 16 G HA2 0.392 4.352 3.960 -0.000 0.000 0.248 16 G HA3 0.392 4.352 3.960 -0.000 0.000 0.248 16 G C -0.741 174.341 174.900 0.304 0.000 1.231 16 G CA -0.210 45.020 45.100 0.217 0.000 0.838 16 G HN 0.511 nan 8.290 nan 0.000 0.570 17 M N 1.204 120.919 119.600 0.191 0.000 2.433 17 M HA 0.654 5.134 4.480 -0.000 0.000 0.290 17 M C -2.156 174.191 176.300 0.079 0.000 1.173 17 M CA -0.949 54.406 55.300 0.092 0.000 0.905 17 M CB 2.304 34.926 32.600 0.036 0.000 1.692 17 M HN 0.467 nan 8.290 nan 0.000 0.462 18 L N 4.815 126.044 121.223 0.011 0.000 2.409 18 L HA 0.663 5.003 4.340 -0.000 0.000 0.272 18 L C -2.117 174.725 176.870 -0.047 0.000 0.980 18 L CA -0.540 54.306 54.840 0.010 0.000 0.826 18 L CB 1.996 44.069 42.059 0.024 0.000 1.268 18 L HN 0.797 nan 8.230 nan 0.000 0.407 19 L N 5.298 126.518 121.223 -0.005 0.000 2.264 19 L HA 0.857 5.197 4.340 -0.000 0.000 0.289 19 L C -0.431 176.410 176.870 -0.048 0.000 1.044 19 L CA -0.012 54.821 54.840 -0.012 0.000 0.807 19 L CB 1.227 43.335 42.059 0.082 0.000 1.192 19 L HN 0.759 nan 8.230 nan 0.000 0.425 20 A N 4.898 127.625 122.820 -0.155 0.000 2.273 20 A HA 0.468 4.787 4.320 -0.000 0.000 0.315 20 A C -0.244 177.194 177.584 -0.243 0.000 1.256 20 A CA -0.541 51.374 52.037 -0.202 0.000 0.851 20 A CB 0.144 18.962 19.000 -0.303 0.000 1.172 20 A HN 0.839 nan 8.150 nan 0.000 0.508 21 N N 4.231 122.833 118.700 -0.163 0.000 2.723 21 N HA 0.216 4.956 4.740 -0.000 0.000 0.290 21 N C -2.946 172.468 175.510 -0.160 0.000 1.882 21 N CA -1.420 51.545 53.050 -0.142 0.000 0.851 21 N CB 1.455 39.908 38.487 -0.057 0.000 1.234 21 N HN 0.371 nan 8.380 nan 0.000 0.491 22 P HA 0.025 nan 4.420 nan 0.000 0.268 22 P C -1.072 176.472 177.300 0.408 0.000 1.205 22 P CA 0.567 63.776 63.100 0.182 0.000 0.771 22 P CB 0.639 32.503 31.700 0.273 0.000 0.858 23 H N 1.949 121.322 119.070 0.505 0.000 2.638 23 H HA 0.480 5.035 4.556 -0.000 0.000 0.303 23 H C -0.486 175.102 175.328 0.433 0.000 1.034 23 H CA -0.399 55.892 56.048 0.404 0.000 1.225 23 H CB 0.386 30.269 29.762 0.202 0.000 1.394 23 H HN 0.326 nan 8.280 nan 0.000 0.477 24 F N 2.178 122.422 119.950 0.489 0.000 2.650 24 F HA 0.352 4.878 4.527 -0.001 0.000 0.320 24 F C -2.316 173.721 175.800 0.395 0.000 1.091 24 F CA -2.587 55.642 58.000 0.382 0.000 0.962 24 F CB 1.727 40.940 39.000 0.355 0.000 1.363 24 F HN 0.338 nan 8.300 nan 0.000 0.482 25 P HA -0.039 nan 4.420 nan 0.000 0.269 25 P C -0.333 177.169 177.300 0.337 0.000 1.215 25 P CA 0.257 63.537 63.100 0.301 0.000 0.780 25 P CB 0.460 32.242 31.700 0.137 0.000 0.898 26 W N 1.063 122.310 121.300 -0.088 0.000 3.290 26 W HA 0.157 4.817 4.660 -0.001 0.000 0.287 26 W C 0.158 176.375 176.519 -0.503 0.000 1.288 26 W CA 0.499 57.620 57.345 -0.373 0.000 1.725 26 W CB -0.320 29.113 29.460 -0.045 0.000 1.103 26 W HN 0.280 nan 8.180 nan 0.000 0.670 27 N N -1.366 117.273 118.700 -0.101 0.000 2.610 27 N HA 0.514 5.253 4.740 -0.000 0.000 0.264 27 N C 0.258 175.720 175.510 -0.080 0.000 1.348 27 N CA 0.363 53.351 53.050 -0.103 0.000 0.819 27 N CB 1.818 40.299 38.487 -0.009 0.000 1.521 27 N HN -0.007 nan 8.380 nan 0.000 0.497 28 G N 0.371 109.130 108.800 -0.069 0.000 2.568 28 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.222 28 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.222 28 G C 0.392 175.259 174.900 -0.055 0.000 1.321 28 G CA 0.170 45.243 45.100 -0.046 0.000 0.893 28 G HN 0.782 nan 8.290 nan 0.000 0.569 29 A N -1.061 121.738 122.820 -0.035 0.000 2.239 29 A HA 0.391 4.710 4.320 -0.000 0.000 0.209 29 A C 1.826 179.384 177.584 -0.043 0.000 1.171 29 A CA 2.193 54.209 52.037 -0.035 0.000 0.768 29 A CB -0.310 18.682 19.000 -0.014 0.000 0.790 29 A HN 0.662 nan 8.150 nan 0.000 0.478 30 M N -0.793 118.783 119.600 -0.041 0.000 2.496 30 M HA 0.217 4.696 4.480 -0.000 0.000 0.330 30 M C 0.483 176.671 176.300 -0.188 0.000 1.133 30 M CA -0.006 55.253 55.300 -0.067 0.000 0.964 30 M CB -0.494 32.192 32.600 0.143 0.000 1.401 30 M HN 0.370 nan 8.290 nan 0.000 0.520 31 R N 0.907 121.306 120.500 -0.168 0.000 2.345 31 R HA 0.191 4.531 4.340 -0.000 0.000 0.331 31 R C -0.809 175.465 176.300 -0.043 0.000 1.067 31 R CA -0.153 55.821 56.100 -0.210 0.000 0.962 31 R CB 0.182 30.313 30.300 -0.282 0.000 0.987 31 R HN -0.139 nan 8.270 nan 0.000 0.451 32 F N 3.812 123.886 119.950 0.207 0.000 2.626 32 F HA -0.024 4.503 4.527 -0.000 0.000 0.354 32 F C 0.187 176.110 175.800 0.204 0.000 1.168 32 F CA 0.920 59.002 58.000 0.137 0.000 1.368 32 F CB 0.213 39.259 39.000 0.076 0.000 1.092 32 F HN 0.440 nan 8.300 nan 0.000 0.612 33 Y N 2.468 122.859 120.300 0.152 0.000 2.386 33 Y HA 0.320 4.870 4.550 -0.000 0.000 0.334 33 Y C -0.770 175.066 175.900 -0.106 0.000 1.002 33 Y CA -1.077 57.039 58.100 0.027 0.000 1.068 33 Y CB 1.058 39.523 38.460 0.009 0.000 1.203 33 Y HN 0.568 nan 8.280 nan 0.000 0.443 34 Q N 6.937 126.335 119.800 -0.669 0.000 2.314 34 Q HA 0.577 4.917 4.340 -0.000 0.000 0.258 34 Q C -0.651 175.016 176.000 -0.555 0.000 0.954 34 Q CA -0.261 55.188 55.803 -0.590 0.000 0.890 34 Q CB 1.378 29.843 28.738 -0.456 0.000 1.210 34 Q HN 0.777 nan 8.270 nan 0.000 0.410 35 M N -0.107 119.332 119.600 -0.268 0.000 2.643 35 M HA 0.417 4.897 4.480 -0.000 0.000 0.276 35 M C -1.931 174.385 176.300 0.026 0.000 1.200 35 M CA -0.950 54.294 55.300 -0.093 0.000 0.863 35 M CB 2.516 35.138 32.600 0.036 0.000 1.711 35 M HN 0.705 nan 8.290 nan 0.000 0.492 36 H N 2.134 121.178 119.070 -0.043 0.000 2.609 36 H HA 0.739 5.295 4.556 -0.000 0.000 0.344 36 H C -2.157 173.175 175.328 0.007 0.000 1.040 36 H CA -0.856 55.184 56.048 -0.013 0.000 1.216 36 H CB 1.599 31.358 29.762 -0.005 0.000 1.529 36 H HN 0.764 nan 8.280 nan 0.000 0.519 37 L N 4.922 126.237 121.223 0.154 0.000 2.341 37 L HA 0.433 4.773 4.340 -0.000 0.000 0.278 37 L C -0.587 176.286 176.870 0.005 0.000 1.005 37 L CA -0.660 54.201 54.840 0.036 0.000 0.818 37 L CB 2.131 44.263 42.059 0.122 0.000 1.259 37 L HN 0.660 nan 8.230 nan 0.000 0.418 38 T N 3.780 118.281 114.554 -0.089 0.000 2.928 38 T HA 0.559 4.909 4.350 -0.000 0.000 0.296 38 T C -0.367 174.319 174.700 -0.023 0.000 1.000 38 T CA -0.278 61.783 62.100 -0.065 0.000 0.989 38 T CB 1.656 70.415 68.868 -0.181 0.000 1.005 38 T HN 0.308 nan 8.240 nan 0.000 0.442 39 I N 4.486 125.068 120.570 0.021 0.000 2.405 39 I HA 0.296 4.466 4.170 -0.000 0.000 0.280 39 I C -2.406 173.719 176.117 0.014 0.000 1.027 39 I CA -2.519 58.795 61.300 0.023 0.000 1.161 39 I CB 1.568 39.602 38.000 0.058 0.000 1.300 39 I HN 0.261 nan 8.210 nan 0.000 0.463 40 P HA 0.054 nan 4.420 nan 0.000 0.261 40 P C 0.956 178.261 177.300 0.007 0.000 1.183 40 P CA 0.853 63.950 63.100 -0.006 0.000 0.761 40 P CB 0.649 32.340 31.700 -0.014 0.000 0.785 41 G N 3.632 112.440 108.800 0.012 0.000 2.232 41 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.226 41 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.226 41 G C 0.775 175.688 174.900 0.020 0.000 0.996 41 G CA 0.354 45.464 45.100 0.017 0.000 0.626 41 G HN 0.656 nan 8.290 nan 0.000 0.509 42 R N -1.328 119.185 120.500 0.022 0.000 2.591 42 R HA 0.641 4.981 4.340 -0.000 0.000 0.288 42 R C 0.079 176.386 176.300 0.011 0.000 0.947 42 R CA 0.259 56.368 56.100 0.015 0.000 1.085 42 R CB 0.433 30.739 30.300 0.011 0.000 1.618 42 R HN 0.862 nan 8.270 nan 0.000 0.524 43 L N 1.393 122.636 121.223 0.033 0.000 2.505 43 L HA 0.580 4.920 4.340 -0.000 0.000 0.266 43 L C -2.323 174.599 176.870 0.085 0.000 0.954 43 L CA -0.259 54.610 54.840 0.048 0.000 0.852 43 L CB 2.600 44.699 42.059 0.066 0.000 1.282 43 L HN 0.150 nan 8.230 nan 0.000 0.403 44 D N 3.757 124.240 120.400 0.138 0.000 2.354 44 D HA 0.509 5.149 4.640 -0.000 0.000 0.230 44 D C -2.025 174.490 176.300 0.359 0.000 1.361 44 D CA 0.068 54.201 54.000 0.222 0.000 0.992 44 D CB 1.828 42.731 40.800 0.172 0.000 1.409 44 D HN 0.412 nan 8.370 nan 0.000 0.573 45 V N 4.607 124.741 119.914 0.368 0.000 2.932 45 V HA 0.755 4.875 4.120 -0.000 0.000 0.307 45 V C -1.515 174.675 176.094 0.160 0.000 1.147 45 V CA -0.610 61.827 62.300 0.229 0.000 0.951 45 V CB 1.982 33.948 31.823 0.238 0.000 1.031 45 V HN 0.631 nan 8.190 nan 0.000 0.426 46 M N 5.495 124.919 119.600 -0.294 0.000 2.446 46 M HA 0.875 5.355 4.480 -0.000 0.000 0.294 46 M C -0.198 175.859 176.300 -0.405 0.000 1.158 46 M CA 0.515 55.591 55.300 -0.373 0.000 0.899 46 M CB 2.108 34.327 32.600 -0.634 0.000 1.687 46 M HN 1.044 nan 8.290 nan 0.000 0.455 47 G N 2.010 110.678 108.800 -0.220 0.000 2.552 47 G HA2 0.657 4.617 3.960 -0.000 0.000 0.137 47 G HA3 0.657 4.617 3.960 -0.000 0.000 0.137 47 G C -2.182 172.362 174.900 -0.592 0.000 1.135 47 G CA -0.011 44.920 45.100 -0.282 0.000 1.047 47 G HN 1.073 nan 8.290 nan 0.000 0.501 48 A N -0.933 121.445 122.820 -0.736 0.000 2.475 48 A HA 0.936 5.256 4.320 -0.000 0.000 0.301 48 A C -0.374 177.109 177.584 -0.169 0.000 1.059 48 A CA 0.229 51.866 52.037 -0.666 0.000 0.710 48 A CB 1.690 19.922 19.000 -1.279 0.000 1.288 48 A HN 1.551 nan 8.150 nan 0.000 0.408 49 S N -0.049 115.680 115.700 0.048 0.000 2.667 49 S HA 0.752 5.222 4.470 -0.000 0.000 0.292 49 S C -0.761 173.881 174.600 0.070 0.000 1.126 49 S CA -0.619 57.626 58.200 0.074 0.000 0.881 49 S CB 1.215 64.441 63.200 0.043 0.000 1.132 49 S HN 0.626 nan 8.310 nan 0.000 0.492 50 L N 1.563 122.727 121.223 -0.099 0.000 2.360 50 L HA 0.488 4.828 4.340 -0.000 0.000 0.271 50 L C -2.536 174.266 176.870 -0.114 0.000 1.057 50 L CA -2.572 52.153 54.840 -0.191 0.000 0.803 50 L CB 0.854 42.741 42.059 -0.285 0.000 1.207 50 L HN 0.313 nan 8.230 nan 0.000 0.445 51 P HA 0.030 nan 4.420 nan 0.000 0.261 51 P C 0.628 177.873 177.300 -0.092 0.000 1.183 51 P CA 0.879 63.915 63.100 -0.107 0.000 0.761 51 P CB 0.577 32.218 31.700 -0.097 0.000 0.785 52 G N 2.366 111.107 108.800 -0.098 0.000 2.175 52 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.244 52 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.244 52 G C -0.164 174.699 174.900 -0.062 0.000 0.982 52 G CA -0.423 44.632 45.100 -0.075 0.000 0.641 52 G HN 0.457 nan 8.290 nan 0.000 0.527 53 L N 1.644 122.828 121.223 -0.064 0.000 2.272 53 L HA 0.428 4.768 4.340 -0.000 0.000 0.289 53 L C -1.547 175.305 176.870 -0.030 0.000 1.032 53 L CA -1.931 52.879 54.840 -0.051 0.000 0.810 53 L CB 1.594 43.605 42.059 -0.079 0.000 1.205 53 L HN -0.057 nan 8.230 nan 0.000 0.422 54 P HA 0.109 nan 4.420 nan 0.000 0.228 54 P C -0.618 176.688 177.300 0.010 0.000 1.764 54 P CA 0.065 63.152 63.100 -0.021 0.000 0.929 54 P CB 0.127 31.791 31.700 -0.059 0.000 1.675 55 V N -3.837 116.111 119.914 0.056 0.000 3.147 55 V HA 0.526 4.646 4.120 -0.000 0.000 0.306 55 V C -0.517 175.661 176.094 0.142 0.000 1.209 55 V CA -1.212 61.179 62.300 0.152 0.000 1.023 55 V CB 2.090 34.052 31.823 0.232 0.000 1.059 55 V HN -0.257 nan 8.190 nan 0.000 0.435 56 V N 2.734 122.790 119.914 0.237 0.000 2.461 56 V HA 0.324 4.444 4.120 -0.000 0.000 0.275 56 V C 0.896 177.180 176.094 0.316 0.000 1.047 56 V CA 0.224 62.657 62.300 0.221 0.000 0.955 56 V CB 0.581 32.559 31.823 0.259 0.000 0.988 56 V HN 1.039 nan 8.190 nan 0.000 0.471 57 N N 3.654 122.407 118.700 0.088 0.000 2.387 57 N HA 0.304 5.044 4.740 -0.000 0.000 0.176 57 N C -0.070 175.681 175.510 0.402 0.000 1.022 57 N CA 0.503 53.525 53.050 -0.047 0.000 0.883 57 N CB 0.415 38.714 38.487 -0.312 0.000 1.019 57 N HN 0.539 nan 8.380 nan 0.000 0.435 58 I N 0.043 120.607 120.570 -0.010 0.000 2.499 58 I HA 0.539 4.709 4.170 -0.000 0.000 0.288 58 I C -0.085 175.602 176.117 -0.718 0.000 1.048 58 I CA -0.697 60.315 61.300 -0.480 0.000 1.062 58 I CB 2.176 40.000 38.000 -0.294 0.000 1.238 58 I HN 0.055 nan 8.210 nan 0.000 0.426 59 G N 4.926 112.862 108.800 -1.439 0.000 2.494 59 G HA2 0.693 4.653 3.960 -0.000 0.000 0.308 59 G HA3 0.693 4.653 3.960 -0.000 0.000 0.308 59 G C -1.812 172.765 174.900 -0.538 0.000 1.263 59 G CA -0.477 44.117 45.100 -0.844 0.000 0.840 59 G HN 0.557 nan 8.290 nan 0.000 0.479 60 F N -0.891 118.887 119.950 -0.287 0.000 2.713 60 F HA 0.885 5.412 4.527 -0.000 0.000 0.311 60 F C -0.145 175.607 175.800 -0.080 0.000 1.141 60 F CA -0.600 57.348 58.000 -0.087 0.000 0.939 60 F CB 1.386 40.244 39.000 -0.236 0.000 1.325 60 F HN 1.069 nan 8.300 nan 0.000 0.453 61 S N 0.378 116.103 115.700 0.041 0.000 2.998 61 S HA 0.476 4.946 4.470 -0.000 0.000 0.321 61 S C 0.630 175.240 174.600 0.017 0.000 1.171 61 S CA -0.558 57.589 58.200 -0.089 0.000 0.882 61 S CB 1.638 64.916 63.200 0.130 0.000 1.301 61 S HN 1.054 nan 8.310 nan 0.000 0.629 62 R N 0.146 120.687 120.500 0.069 0.000 2.103 62 R HA -0.118 4.222 4.340 -0.000 0.000 0.242 62 R C 0.940 177.142 176.300 -0.163 0.000 1.142 62 R CA 2.035 58.105 56.100 -0.050 0.000 0.960 62 R CB -0.329 29.818 30.300 -0.256 0.000 0.858 62 R HN 0.757 nan 8.270 nan 0.000 0.439 63 H N -2.019 117.124 119.070 0.122 0.000 3.058 63 H HA 0.220 4.775 4.556 -0.000 0.000 0.266 63 H C -0.673 174.428 175.328 -0.378 0.000 1.135 63 H CA -0.213 55.728 56.048 -0.179 0.000 1.174 63 H CB 0.855 30.532 29.762 -0.142 0.000 1.581 63 H HN 0.091 nan 8.280 nan 0.000 0.553 64 L N 0.949 122.262 121.223 0.149 0.000 2.422 64 L HA 0.739 5.078 4.340 -0.000 0.000 0.264 64 L C -1.392 175.806 176.870 0.546 0.000 0.984 64 L CA -0.809 54.183 54.840 0.253 0.000 0.819 64 L CB 1.995 44.177 42.059 0.206 0.000 1.330 64 L HN 0.017 nan 8.230 nan 0.000 0.410 65 A N 3.243 126.382 122.820 0.532 0.000 2.393 65 A HA 0.848 5.168 4.320 -0.000 0.000 0.306 65 A C -1.880 175.924 177.584 0.366 0.000 1.050 65 A CA -0.341 51.934 52.037 0.397 0.000 0.724 65 A CB 0.900 20.022 19.000 0.203 0.000 1.248 65 A HN 0.983 nan 8.150 nan 0.000 0.424 66 W N 1.041 122.390 121.300 0.081 0.000 3.031 66 W HA 0.835 5.494 4.660 -0.000 0.000 0.337 66 W C -0.702 175.775 176.519 -0.069 0.000 1.187 66 W CA -0.375 56.965 57.345 -0.008 0.000 1.166 66 W CB 1.192 30.631 29.460 -0.035 0.000 1.437 66 W HN 0.863 nan 8.180 nan 0.000 0.551 67 T N 0.192 114.619 114.554 -0.211 0.000 2.671 67 T HA 0.505 4.855 4.350 -0.000 0.000 0.300 67 T C -1.800 172.714 174.700 -0.310 0.000 1.238 67 T CA -0.499 61.402 62.100 -0.331 0.000 1.020 67 T CB 1.134 69.891 68.868 -0.185 0.000 1.503 67 T HN 0.674 nan 8.240 nan 0.000 0.497 68 H N 0.337 119.528 119.070 0.202 0.000 2.895 68 H HA 0.639 5.195 4.556 -0.000 0.000 0.373 68 H C -0.576 174.908 175.328 0.259 0.000 1.174 68 H CA -0.432 55.777 56.048 0.269 0.000 1.144 68 H CB 1.950 31.918 29.762 0.344 0.000 1.793 68 H HN 0.850 nan 8.280 nan 0.000 0.551 69 T N -1.814 112.984 114.554 0.407 0.000 2.903 69 T HA 0.411 4.760 4.350 -0.000 0.000 0.299 69 T C -0.327 174.599 174.700 0.377 0.000 1.093 69 T CA -0.845 61.465 62.100 0.350 0.000 1.002 69 T CB 1.336 70.355 68.868 0.251 0.000 1.127 69 T HN 0.200 nan 8.240 nan 0.000 0.488 70 V N 3.465 123.594 119.914 0.359 0.000 2.521 70 V HA 0.263 4.383 4.120 -0.000 0.000 0.286 70 V C 0.602 176.882 176.094 0.310 0.000 1.034 70 V CA -0.129 62.397 62.300 0.376 0.000 1.045 70 V CB -0.073 31.923 31.823 0.290 0.000 0.974 70 V HN 1.096 nan 8.190 nan 0.000 0.480 71 D N 2.969 123.578 120.400 0.348 0.000 2.451 71 D HA 0.247 4.887 4.640 -0.000 0.000 0.259 71 D C 0.952 177.408 176.300 0.259 0.000 1.201 71 D CA 0.006 54.188 54.000 0.302 0.000 1.028 71 D CB 0.802 41.787 40.800 0.309 0.000 1.095 71 D HN 0.546 nan 8.370 nan 0.000 0.539 72 T N -3.518 111.149 114.554 0.189 0.000 3.092 72 T HA 0.239 4.589 4.350 -0.000 0.000 0.258 72 T C 0.282 175.010 174.700 0.046 0.000 1.031 72 T CA -0.583 61.590 62.100 0.122 0.000 0.925 72 T CB -0.538 68.390 68.868 0.099 0.000 1.036 72 T HN 0.232 nan 8.240 nan 0.000 0.544 73 S N 2.179 117.892 115.700 0.022 0.000 2.592 73 S HA 0.451 4.920 4.470 -0.000 0.000 0.271 73 S C 0.346 174.698 174.600 -0.415 0.000 1.326 73 S CA -0.680 57.416 58.200 -0.173 0.000 1.024 73 S CB 0.985 64.077 63.200 -0.179 0.000 0.921 73 S HN 0.467 nan 8.310 nan 0.000 0.527 74 S N 1.848 117.285 115.700 -0.438 0.000 2.549 74 S HA 0.142 4.612 4.470 -0.000 0.000 0.279 74 S C 0.430 174.616 174.600 -0.690 0.000 1.321 74 S CA -0.472 57.421 58.200 -0.512 0.000 1.054 74 S CB 0.025 62.934 63.200 -0.485 0.000 0.899 74 S HN 0.687 nan 8.310 nan 0.000 0.497 75 H N 1.702 120.795 119.070 0.038 0.000 2.674 75 H HA 0.295 4.851 4.556 -0.000 0.000 0.274 75 H C -0.391 175.116 175.328 0.299 0.000 1.121 75 H CA -0.003 56.148 56.048 0.171 0.000 1.132 75 H CB 0.096 30.037 29.762 0.299 0.000 1.606 75 H HN 0.651 nan 8.280 nan 0.000 0.558 76 F N -0.638 119.374 119.950 0.104 0.000 2.741 76 F HA 0.555 5.082 4.527 -0.000 0.000 0.313 76 F C -1.036 174.851 175.800 0.146 0.000 1.153 76 F CA -1.247 56.884 58.000 0.218 0.000 0.931 76 F CB 1.298 40.415 39.000 0.196 0.000 1.335 76 F HN -0.160 nan 8.300 nan 0.000 0.460 77 T N 0.157 114.897 114.554 0.309 0.000 2.893 77 T HA 0.703 5.053 4.350 -0.000 0.000 0.293 77 T C -0.925 173.857 174.700 0.137 0.000 1.027 77 T CA -0.797 61.289 62.100 -0.024 0.000 0.988 77 T CB 1.557 70.385 68.868 -0.067 0.000 1.043 77 T HN 0.893 nan 8.240 nan 0.000 0.461 78 L N 2.267 123.501 121.223 0.019 0.000 2.417 78 L HA 0.414 4.754 4.340 -0.000 0.000 0.268 78 L C -0.763 175.979 176.870 -0.214 0.000 1.158 78 L CA -0.782 54.082 54.840 0.040 0.000 0.819 78 L CB 0.353 42.440 42.059 0.046 0.000 1.112 78 L HN 0.673 nan 8.230 nan 0.000 0.458 79 Y N 1.677 121.927 120.300 -0.083 0.000 2.331 79 Y HA 0.346 4.895 4.550 -0.001 0.000 0.334 79 Y C 0.097 175.825 175.900 -0.286 0.000 0.960 79 Y CA -0.642 57.287 58.100 -0.285 0.000 1.130 79 Y CB 1.460 39.500 38.460 -0.700 0.000 1.164 79 Y HN 0.442 nan 8.280 nan 0.000 0.458 80 R N 4.964 125.352 120.500 -0.187 0.000 2.296 80 R HA 0.384 4.724 4.340 -0.000 0.000 0.323 80 R C -1.204 174.894 176.300 -0.337 0.000 1.067 80 R CA -0.190 55.584 56.100 -0.543 0.000 0.946 80 R CB 0.164 30.203 30.300 -0.436 0.000 0.991 80 R HN 0.721 nan 8.270 nan 0.000 0.448 81 L N 3.731 124.715 121.223 -0.398 0.000 2.326 81 L HA 0.402 4.742 4.340 -0.000 0.000 0.278 81 L C 0.310 177.092 176.870 -0.147 0.000 1.092 81 L CA -0.754 53.965 54.840 -0.202 0.000 0.810 81 L CB 1.560 43.456 42.059 -0.271 0.000 1.153 81 L HN 0.683 nan 8.230 nan 0.000 0.439 82 A N 5.133 127.939 122.820 -0.024 0.000 2.260 82 A HA 0.564 4.884 4.320 -0.000 0.000 0.312 82 A C -0.152 177.460 177.584 0.046 0.000 1.321 82 A CA -0.531 51.504 52.037 -0.003 0.000 0.928 82 A CB 0.086 19.094 19.000 0.012 0.000 1.158 82 A HN 0.654 nan 8.150 nan 0.000 0.542 83 L N 1.702 122.948 121.223 0.037 0.000 2.439 83 L HA 0.148 4.488 4.340 -0.000 0.000 0.269 83 L C 0.673 177.583 176.870 0.067 0.000 1.179 83 L CA -0.724 54.164 54.840 0.081 0.000 0.828 83 L CB 0.450 42.571 42.059 0.103 0.000 1.106 83 L HN 0.654 nan 8.230 nan 0.000 0.467 84 D N 4.222 124.664 120.400 0.070 0.000 2.472 84 D HA -0.008 4.632 4.640 -0.000 0.000 0.248 84 D C -1.443 174.883 176.300 0.043 0.000 1.174 84 D CA -1.419 52.605 54.000 0.040 0.000 0.883 84 D CB 1.261 42.079 40.800 0.031 0.000 1.149 84 D HN 0.258 nan 8.370 nan 0.000 0.488 85 P HA -0.134 nan 4.420 nan 0.000 0.223 85 P C 0.538 177.854 177.300 0.027 0.000 1.144 85 P CA 1.089 64.206 63.100 0.029 0.000 0.783 85 P CB 0.295 32.006 31.700 0.020 0.000 0.771 86 K N -1.239 119.175 120.400 0.024 0.000 2.379 86 K HA 0.072 4.391 4.320 -0.000 0.000 0.194 86 K C 0.271 176.887 176.600 0.027 0.000 1.031 86 K CA 0.223 56.523 56.287 0.020 0.000 1.037 86 K CB 0.330 32.838 32.500 0.013 0.000 0.824 86 K HN 0.027 nan 8.250 nan 0.000 0.516 87 D N -0.074 120.351 120.400 0.042 0.000 2.419 87 D HA 0.064 4.704 4.640 -0.000 0.000 0.219 87 D C -2.429 173.928 176.300 0.094 0.000 1.349 87 D CA -1.583 52.450 54.000 0.055 0.000 0.964 87 D CB 1.713 42.543 40.800 0.050 0.000 1.463 87 D HN -0.208 nan 8.370 nan 0.000 0.573 88 P HA 0.018 nan 4.420 nan 0.000 0.234 88 P C 0.680 178.177 177.300 0.329 0.000 1.167 88 P CA 0.268 63.487 63.100 0.199 0.000 0.763 88 P CB 0.336 32.105 31.700 0.115 0.000 0.835 89 R N -0.560 120.075 120.500 0.225 0.000 2.388 89 R HA 0.227 4.566 4.340 -0.000 0.000 0.247 89 R C 0.743 177.192 176.300 0.249 0.000 0.931 89 R CA -0.061 56.206 56.100 0.279 0.000 1.082 89 R CB 0.328 30.752 30.300 0.206 0.000 1.135 89 R HN 0.188 nan 8.270 nan 0.000 0.525 90 R N 0.236 120.858 120.500 0.203 0.000 2.803 90 R HA 0.358 4.697 4.340 -0.000 0.000 0.276 90 R C -1.349 175.072 176.300 0.203 0.000 0.978 90 R CA -0.920 55.277 56.100 0.162 0.000 0.939 90 R CB 1.726 32.056 30.300 0.050 0.000 1.179 90 R HN -0.075 nan 8.270 nan 0.000 0.472 91 Y N -1.147 119.147 120.300 -0.010 0.000 2.553 91 Y HA 0.596 5.146 4.550 -0.000 0.000 0.347 91 Y C -1.440 174.443 175.900 -0.027 0.000 1.019 91 Y CA -1.462 56.621 58.100 -0.030 0.000 1.032 91 Y CB 1.140 39.564 38.460 -0.059 0.000 1.284 91 Y HN 0.318 nan 8.280 nan 0.000 0.466 92 L N 3.442 124.680 121.223 0.024 0.000 2.295 92 L HA 0.741 5.081 4.340 -0.000 0.000 0.285 92 L C -0.908 175.960 176.870 -0.004 0.000 1.035 92 L CA -1.159 53.652 54.840 -0.048 0.000 0.806 92 L CB 1.601 43.657 42.059 -0.006 0.000 1.214 92 L HN 0.568 nan 8.230 nan 0.000 0.426 93 V N 1.953 121.826 119.914 -0.069 0.000 2.483 93 V HA 0.252 4.372 4.120 -0.000 0.000 0.297 93 V C -0.578 175.499 176.094 -0.028 0.000 1.027 93 V CA -0.636 61.657 62.300 -0.013 0.000 0.855 93 V CB 1.526 33.330 31.823 -0.031 0.000 0.995 93 V HN 0.820 nan 8.190 nan 0.000 0.424 94 D N 4.127 124.527 120.400 -0.001 0.000 2.701 94 D HA -0.196 4.444 4.640 -0.000 0.000 0.235 94 D C 1.364 177.654 176.300 -0.018 0.000 1.155 94 D CA 1.854 55.850 54.000 -0.006 0.000 0.649 94 D CB -1.151 39.643 40.800 -0.010 0.000 1.050 94 D HN 1.473 nan 8.370 nan 0.000 0.425 95 G N -0.435 108.355 108.800 -0.018 0.000 2.184 95 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.264 95 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.264 95 G C 0.364 175.241 174.900 -0.039 0.000 0.975 95 G CA 0.510 45.597 45.100 -0.022 0.000 0.642 95 G HN 0.680 nan 8.290 nan 0.000 0.536 96 R N 0.630 121.094 120.500 -0.060 0.000 2.346 96 R HA 0.580 4.920 4.340 -0.000 0.000 0.311 96 R C 0.171 176.394 176.300 -0.129 0.000 0.983 96 R CA 0.131 56.181 56.100 -0.083 0.000 0.880 96 R CB 0.947 31.194 30.300 -0.087 0.000 1.100 96 R HN 0.169 nan 8.270 nan 0.000 0.453 97 S N 4.550 120.178 115.700 -0.121 0.000 2.474 97 S HA 0.325 4.795 4.470 -0.000 0.000 0.276 97 S C -0.753 173.715 174.600 -0.220 0.000 1.227 97 S CA -0.588 57.519 58.200 -0.154 0.000 1.050 97 S CB 0.261 63.410 63.200 -0.085 0.000 0.939 97 S HN 0.372 nan 8.310 nan 0.000 0.490 98 L N 7.610 128.594 121.223 -0.398 0.000 2.346 98 L HA 0.653 4.993 4.340 -0.000 0.000 0.274 98 L C -2.142 174.524 176.870 -0.340 0.000 1.007 98 L CA -2.133 52.428 54.840 -0.465 0.000 0.818 98 L CB 1.827 43.382 42.059 -0.839 0.000 1.284 98 L HN 0.470 nan 8.230 nan 0.000 0.424 99 P HA 0.248 nan 4.420 nan 0.000 0.284 99 P C -0.628 176.783 177.300 0.185 0.000 1.253 99 P CA -0.537 62.587 63.100 0.040 0.000 0.800 99 P CB 0.928 32.650 31.700 0.036 0.000 0.961 100 L N 2.289 123.692 121.223 0.301 0.000 2.456 100 L HA 0.118 4.458 4.340 -0.000 0.000 0.272 100 L C 1.346 178.348 176.870 0.220 0.000 1.189 100 L CA 0.200 55.229 54.840 0.315 0.000 0.846 100 L CB -0.073 42.204 42.059 0.363 0.000 1.111 100 L HN 0.302 nan 8.230 nan 0.000 0.475 101 E N 2.434 122.725 120.200 0.152 0.000 2.277 101 E HA 0.275 4.624 4.350 -0.000 0.000 0.274 101 E C -0.930 175.688 176.600 0.029 0.000 1.022 101 E CA -0.499 55.946 56.400 0.074 0.000 0.853 101 E CB 1.295 31.016 29.700 0.035 0.000 1.086 101 E HN 0.498 nan 8.360 nan 0.000 0.397 102 E N 1.768 121.937 120.200 -0.053 0.000 2.176 102 E HA 0.264 4.614 4.350 -0.000 0.000 0.267 102 E C -0.852 175.672 176.600 -0.127 0.000 0.893 102 E CA -0.796 55.482 56.400 -0.203 0.000 0.761 102 E CB 1.606 31.137 29.700 -0.282 0.000 1.133 102 E HN 0.009 nan 8.360 nan 0.000 0.409 103 K N 1.601 121.929 120.400 -0.121 0.000 2.394 103 K HA 0.341 4.661 4.320 -0.000 0.000 0.260 103 K C -1.187 175.377 176.600 -0.061 0.000 0.967 103 K CA -0.462 55.788 56.287 -0.061 0.000 0.855 103 K CB 1.494 33.980 32.500 -0.022 0.000 1.101 103 K HN 0.309 nan 8.250 nan 0.000 0.433 104 S N 2.485 118.157 115.700 -0.048 0.000 2.508 104 S HA 0.537 5.007 4.470 -0.000 0.000 0.284 104 S C -0.744 173.861 174.600 0.009 0.000 1.192 104 S CA -0.734 57.449 58.200 -0.028 0.000 1.070 104 S CB 0.876 64.053 63.200 -0.038 0.000 1.004 104 S HN 0.479 nan 8.310 nan 0.000 0.493 105 V N 0.306 120.245 119.914 0.042 0.000 2.815 105 V HA 1.019 5.139 4.120 -0.000 0.000 0.314 105 V C -0.289 175.834 176.094 0.048 0.000 1.064 105 V CA -1.177 61.149 62.300 0.043 0.000 0.952 105 V CB 1.339 33.191 31.823 0.048 0.000 1.020 105 V HN 0.903 nan 8.190 nan 0.000 0.439 106 A N 4.770 127.609 122.820 0.031 0.000 2.343 106 A HA 0.911 5.231 4.320 -0.000 0.000 0.316 106 A C -0.813 176.784 177.584 0.021 0.000 1.104 106 A CA -0.664 51.389 52.037 0.028 0.000 0.768 106 A CB 1.046 20.056 19.000 0.018 0.000 1.213 106 A HN 0.771 nan 8.150 nan 0.000 0.456 107 I N 1.581 122.164 120.570 0.022 0.000 2.569 107 I HA 0.390 4.560 4.170 -0.000 0.000 0.296 107 I C -0.335 175.788 176.117 0.010 0.000 1.028 107 I CA -0.587 60.720 61.300 0.012 0.000 1.082 107 I CB 1.892 39.897 38.000 0.007 0.000 1.264 107 I HN 0.618 nan 8.210 nan 0.000 0.429 108 E N 4.309 124.512 120.200 0.005 0.000 2.249 108 E HA 0.487 4.837 4.350 -0.000 0.000 0.280 108 E C -0.938 175.663 176.600 0.002 0.000 1.016 108 E CA -0.539 55.864 56.400 0.004 0.000 0.830 108 E CB 2.643 32.344 29.700 0.002 0.000 1.081 108 E HN 0.218 nan 8.360 nan 0.000 0.395 109 V N 3.363 123.278 119.914 0.003 0.000 2.444 109 V HA 0.303 4.423 4.120 -0.000 0.000 0.294 109 V C 0.279 176.374 176.094 0.001 0.000 1.022 109 V CA -0.836 61.465 62.300 0.001 0.000 0.850 109 V CB 1.853 33.678 31.823 0.004 0.000 0.992 109 V HN 0.499 nan 8.190 nan 0.000 0.426 110 R N 2.828 123.327 120.500 -0.001 0.000 2.267 110 R HA 0.524 4.864 4.340 -0.000 0.000 0.319 110 R C 0.534 176.833 176.300 -0.001 0.000 1.067 110 R CA 0.111 56.210 56.100 -0.001 0.000 0.936 110 R CB 0.791 31.090 30.300 -0.003 0.000 1.006 110 R HN 0.942 nan 8.270 nan 0.000 0.452 111 G N 1.604 110.404 108.800 -0.000 0.000 2.537 111 G HA2 0.349 4.309 3.960 -0.000 0.000 0.297 111 G HA3 0.349 4.309 3.960 -0.000 0.000 0.297 111 G C 0.693 175.593 174.900 -0.001 0.000 1.310 111 G CA -0.020 45.080 45.100 -0.000 0.000 1.027 111 G HN 0.746 nan 8.290 nan 0.000 0.505 112 A N -0.058 122.762 122.820 -0.001 0.000 1.940 112 A HA -0.098 4.221 4.320 -0.000 0.000 0.219 112 A C 1.882 179.465 177.584 -0.001 0.000 1.176 112 A CA 2.340 54.376 52.037 -0.001 0.000 0.631 112 A CB -0.522 18.477 19.000 -0.001 0.000 0.814 112 A HN 0.639 nan 8.150 nan 0.000 0.446 113 D N -1.928 118.472 120.400 -0.001 0.000 2.363 113 D HA 0.235 4.874 4.640 -0.000 0.000 0.226 113 D C 1.214 177.513 176.300 -0.001 0.000 1.020 113 D CA 1.016 55.015 54.000 -0.001 0.000 0.892 113 D CB -0.754 40.046 40.800 -0.001 0.000 0.900 113 D HN 0.864 nan 8.370 nan 0.000 0.531 114 G N -0.169 108.630 108.800 -0.001 0.000 2.179 114 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.260 114 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.260 114 G C 0.190 175.089 174.900 -0.002 0.000 0.977 114 G CA 0.312 45.411 45.100 -0.002 0.000 0.641 114 G HN 0.499 nan 8.290 nan 0.000 0.533 115 K N -0.181 120.219 120.400 -0.001 0.000 2.095 115 K HA 0.717 5.036 4.320 -0.000 0.000 0.252 115 K C 0.491 177.091 176.600 -0.000 0.000 0.977 115 K CA -0.781 55.505 56.287 -0.001 0.000 0.900 115 K CB 1.290 33.790 32.500 -0.000 0.000 1.060 115 K HN 0.150 nan 8.250 nan 0.000 0.449 116 L N 1.672 122.895 121.223 0.000 0.000 2.312 116 L HA 0.286 4.626 4.340 -0.000 0.000 0.281 116 L C 0.117 176.988 176.870 0.002 0.000 1.070 116 L CA -0.373 54.468 54.840 0.001 0.000 0.805 116 L CB 1.318 43.377 42.059 0.000 0.000 1.174 116 L HN 0.712 nan 8.230 nan 0.000 0.434 117 S N 2.887 118.589 115.700 0.003 0.000 2.526 117 S HA 0.523 4.993 4.470 -0.000 0.000 0.293 117 S C -0.693 173.911 174.600 0.007 0.000 1.092 117 S CA -1.044 57.159 58.200 0.005 0.000 0.980 117 S CB 2.192 65.395 63.200 0.005 0.000 1.048 117 S HN 0.664 nan 8.310 nan 0.000 0.483 118 R N 2.188 122.693 120.500 0.008 0.000 2.265 118 R HA 0.570 4.910 4.340 -0.000 0.000 0.314 118 R C -1.432 174.877 176.300 0.016 0.000 1.053 118 R CA -0.418 55.688 56.100 0.011 0.000 0.931 118 R CB 0.626 30.931 30.300 0.009 0.000 1.024 118 R HN 0.626 nan 8.270 nan 0.000 0.457 119 V N 4.856 124.783 119.914 0.022 0.000 2.384 119 V HA 0.254 4.373 4.120 -0.000 0.000 0.287 119 V C -0.385 175.737 176.094 0.047 0.000 1.020 119 V CA -0.640 61.680 62.300 0.034 0.000 0.850 119 V CB 1.683 33.528 31.823 0.037 0.000 0.987 119 V HN 0.829 nan 8.190 nan 0.000 0.436 120 E N 2.747 122.977 120.200 0.050 0.000 2.204 120 E HA 0.555 4.905 4.350 -0.000 0.000 0.276 120 E C -1.211 175.447 176.600 0.098 0.000 0.974 120 E CA -0.632 55.802 56.400 0.057 0.000 0.815 120 E CB 1.933 31.646 29.700 0.022 0.000 1.119 120 E HN 0.743 nan 8.360 nan 0.000 0.393 121 H N 1.280 120.351 119.070 0.001 0.000 2.759 121 H HA 0.281 4.836 4.556 -0.001 0.000 0.354 121 H C -1.301 174.021 175.328 -0.009 0.000 1.074 121 H CA -0.833 55.219 56.048 0.008 0.000 1.226 121 H CB 1.173 30.947 29.762 0.020 0.000 1.648 121 H HN 0.225 nan 8.280 nan 0.000 0.529 122 K N 4.525 124.687 120.400 -0.397 0.000 2.234 122 K HA 0.407 4.727 4.320 -0.000 0.000 0.277 122 K C -1.250 175.230 176.600 -0.201 0.000 1.038 122 K CA -0.679 55.436 56.287 -0.286 0.000 0.888 122 K CB 0.754 33.048 32.500 -0.343 0.000 1.091 122 K HN 0.358 nan 8.250 nan 0.000 0.467 123 V N 6.062 125.934 119.914 -0.069 0.000 2.350 123 V HA 0.204 4.324 4.120 -0.000 0.000 0.276 123 V C -0.749 175.323 176.094 -0.036 0.000 1.028 123 V CA -0.781 61.557 62.300 0.064 0.000 0.860 123 V CB 0.284 32.175 31.823 0.113 0.000 0.990 123 V HN 0.636 nan 8.190 nan 0.000 0.453 124 Y N 3.700 124.082 120.300 0.137 0.000 2.319 124 Y HA 0.443 4.993 4.550 -0.001 0.000 0.328 124 Y C 0.730 176.648 175.900 0.030 0.000 1.133 124 Y CA 0.124 58.296 58.100 0.120 0.000 1.265 124 Y CB 0.826 39.438 38.460 0.253 0.000 1.218 124 Y HN 0.570 nan 8.280 nan 0.000 0.508 125 Q N 1.662 121.542 119.800 0.134 0.000 2.372 125 Q HA 0.523 4.863 4.340 -0.000 0.000 0.273 125 Q C -0.857 175.131 176.000 -0.020 0.000 1.078 125 Q CA -1.030 54.792 55.803 0.032 0.000 0.806 125 Q CB 2.429 31.178 28.738 0.018 0.000 1.332 125 Q HN 0.769 nan 8.270 nan 0.000 0.435 126 S N 0.414 116.038 115.700 -0.127 0.000 2.767 126 S HA 0.446 4.915 4.470 -0.000 0.000 0.300 126 S C 1.186 175.676 174.600 -0.184 0.000 1.123 126 S CA -0.787 57.269 58.200 -0.240 0.000 0.992 126 S CB 0.367 63.213 63.200 -0.591 0.000 1.138 126 S HN 0.799 nan 8.310 nan 0.000 0.550 127 I N -1.942 118.478 120.570 -0.251 0.000 2.530 127 I HA -0.121 4.049 4.170 -0.000 0.000 0.257 127 I C 1.409 177.221 176.117 -0.508 0.000 1.179 127 I CA 1.367 62.435 61.300 -0.386 0.000 1.440 127 I CB -0.664 37.055 38.000 -0.468 0.000 1.087 127 I HN 0.587 nan 8.210 nan 0.000 0.440 128 Y N 2.171 122.326 120.300 -0.243 0.000 2.448 128 Y HA 0.500 5.050 4.550 -0.001 0.000 0.289 128 Y C 1.539 177.347 175.900 -0.153 0.000 1.114 128 Y CA 0.194 58.120 58.100 -0.291 0.000 1.235 128 Y CB -0.332 37.899 38.460 -0.383 0.000 1.045 128 Y HN 0.408 nan 8.280 nan 0.000 0.554 129 G N -0.766 108.038 108.800 0.007 0.000 2.357 129 G HA2 0.085 4.044 3.960 -0.000 0.000 0.289 129 G HA3 0.085 4.044 3.960 -0.000 0.000 0.289 129 G C -3.140 171.767 174.900 0.012 0.000 1.302 129 G CA -1.237 43.878 45.100 0.026 0.000 0.936 129 G HN -0.214 nan 8.290 nan 0.000 0.513 130 P HA 0.505 nan 4.420 nan 0.000 0.274 130 P C -0.407 176.899 177.300 0.010 0.000 1.231 130 P CA -0.278 62.842 63.100 0.034 0.000 0.790 130 P CB 0.995 32.730 31.700 0.059 0.000 0.951 131 L N 2.227 123.445 121.223 -0.007 0.000 2.417 131 L HA 0.290 4.629 4.340 -0.000 0.000 0.268 131 L C 0.553 177.443 176.870 0.033 0.000 1.158 131 L CA 0.034 54.828 54.840 -0.077 0.000 0.819 131 L CB 0.711 42.600 42.059 -0.283 0.000 1.112 131 L HN 0.262 nan 8.230 nan 0.000 0.458 132 V N 0.564 120.491 119.914 0.021 0.000 2.876 132 V HA 0.823 4.943 4.120 -0.000 0.000 0.312 132 V C -0.773 175.364 176.094 0.071 0.000 1.085 132 V CA -0.752 61.579 62.300 0.053 0.000 0.945 132 V CB 2.025 33.832 31.823 -0.026 0.000 1.017 132 V HN 0.335 nan 8.190 nan 0.000 0.428 133 V N 3.259 123.261 119.914 0.146 0.000 2.531 133 V HA 0.519 4.639 4.120 -0.000 0.000 0.301 133 V C -1.382 174.896 176.094 0.307 0.000 1.034 133 V CA -0.213 62.201 62.300 0.190 0.000 0.865 133 V CB 2.127 34.096 31.823 0.243 0.000 0.995 133 V HN 0.935 nan 8.190 nan 0.000 0.424 134 W N 5.856 127.159 121.300 0.005 0.000 2.299 134 W HA 0.482 5.142 4.660 -0.000 0.000 0.319 134 W C -2.493 174.025 176.519 -0.001 0.000 1.008 134 W CA -3.363 53.973 57.345 -0.016 0.000 1.384 134 W CB 0.804 30.228 29.460 -0.060 0.000 1.220 134 W HN 0.328 nan 8.180 nan 0.000 0.402 135 P HA 0.105 nan 4.420 nan 0.000 0.261 135 P C 1.000 178.365 177.300 0.108 0.000 1.183 135 P CA 1.732 64.910 63.100 0.130 0.000 0.761 135 P CB 0.559 32.308 31.700 0.082 0.000 0.785 136 G N 2.448 111.309 108.800 0.101 0.000 2.176 136 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.253 136 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.253 136 G C 0.765 175.720 174.900 0.092 0.000 0.979 136 G CA 0.770 45.918 45.100 0.080 0.000 0.641 136 G HN 0.633 nan 8.290 nan 0.000 0.530 137 K N -1.002 119.473 120.400 0.126 0.000 2.757 137 K HA 0.448 4.768 4.320 -0.000 0.000 0.201 137 K C 0.314 176.915 176.600 0.002 0.000 1.495 137 K CA -0.112 56.241 56.287 0.109 0.000 1.090 137 K CB 0.254 32.886 32.500 0.219 0.000 1.796 137 K HN 0.224 nan 8.250 nan 0.000 0.523 138 L N 3.462 124.666 121.223 -0.032 0.000 2.426 138 L HA 0.412 4.752 4.340 -0.000 0.000 0.255 138 L C -1.046 175.870 176.870 0.076 0.000 1.080 138 L CA -0.857 53.818 54.840 -0.276 0.000 0.960 138 L CB 1.031 42.658 42.059 -0.720 0.000 1.326 138 L HN 0.170 nan 8.230 nan 0.000 0.441 139 D N 0.722 121.240 120.400 0.197 0.000 2.432 139 D HA 0.203 4.843 4.640 -0.000 0.000 0.258 139 D C -0.880 175.619 176.300 0.331 0.000 1.146 139 D CA -0.162 53.979 54.000 0.235 0.000 1.015 139 D CB 2.029 42.940 40.800 0.185 0.000 1.107 139 D HN 0.262 nan 8.370 nan 0.000 0.529 140 W N 3.088 124.435 121.300 0.079 0.000 2.413 140 W HA 0.185 4.845 4.660 -0.000 0.000 0.308 140 W C -0.759 175.770 176.519 0.016 0.000 0.997 140 W CA -0.988 56.379 57.345 0.037 0.000 1.447 140 W CB -0.522 28.939 29.460 0.001 0.000 1.263 140 W HN 0.346 nan 8.180 nan 0.000 0.416 141 N N 2.541 121.459 118.700 0.362 0.000 3.040 141 N HA 0.429 5.169 4.740 -0.000 0.000 0.339 141 N C 0.730 176.358 175.510 0.197 0.000 1.387 141 N CA -0.478 52.685 53.050 0.187 0.000 0.745 141 N CB 0.676 39.239 38.487 0.127 0.000 1.237 141 N HN 0.229 nan 8.380 nan 0.000 0.565 142 R N -1.056 119.510 120.500 0.111 0.000 2.310 142 R HA 0.158 4.498 4.340 -0.000 0.000 0.202 142 R C 0.940 177.296 176.300 0.094 0.000 0.933 142 R CA 0.374 56.532 56.100 0.097 0.000 1.054 142 R CB -0.017 30.314 30.300 0.052 0.000 0.985 142 R HN 0.605 nan 8.270 nan 0.000 0.489 143 S N 0.349 116.104 115.700 0.091 0.000 2.566 143 S HA 0.009 4.478 4.470 -0.000 0.000 0.234 143 S C 0.198 174.820 174.600 0.038 0.000 1.075 143 S CA -0.090 58.145 58.200 0.059 0.000 0.926 143 S CB 0.504 63.733 63.200 0.049 0.000 0.811 143 S HN 0.402 nan 8.310 nan 0.000 0.518 144 E N -0.379 119.846 120.200 0.042 0.000 2.408 144 E HA 0.763 5.113 4.350 -0.000 0.000 0.275 144 E C -1.052 175.501 176.600 -0.078 0.000 0.935 144 E CA -1.214 55.149 56.400 -0.060 0.000 0.775 144 E CB 1.707 31.343 29.700 -0.106 0.000 1.277 144 E HN 0.248 nan 8.360 nan 0.000 0.455 145 A N 0.932 123.567 122.820 -0.308 0.000 2.583 145 A HA 0.701 5.020 4.320 -0.000 0.000 0.289 145 A C -2.050 175.208 177.584 -0.544 0.000 1.151 145 A CA -0.773 51.031 52.037 -0.389 0.000 0.695 145 A CB 1.225 19.681 19.000 -0.906 0.000 1.290 145 A HN 0.539 nan 8.150 nan 0.000 0.419 146 Y N -0.502 119.637 120.300 -0.268 0.000 2.391 146 Y HA 0.649 5.199 4.550 -0.001 0.000 0.341 146 Y C 0.539 176.315 175.900 -0.207 0.000 0.965 146 Y CA 0.001 57.979 58.100 -0.204 0.000 1.067 146 Y CB 2.242 40.590 38.460 -0.186 0.000 1.199 146 Y HN 0.977 nan 8.280 nan 0.000 0.450 147 A N 3.359 126.159 122.820 -0.033 0.000 2.322 147 A HA 0.867 5.187 4.320 -0.000 0.000 0.327 147 A C -1.749 175.902 177.584 0.111 0.000 1.134 147 A CA -0.857 51.182 52.037 0.002 0.000 0.831 147 A CB 1.376 20.367 19.000 -0.015 0.000 1.288 147 A HN 0.806 nan 8.150 nan 0.000 0.472 148 L N 0.890 122.187 121.223 0.124 0.000 2.372 148 L HA 0.577 4.917 4.340 -0.000 0.000 0.274 148 L C -0.222 176.784 176.870 0.228 0.000 0.988 148 L CA -0.486 54.465 54.840 0.186 0.000 0.833 148 L CB 1.308 43.420 42.059 0.089 0.000 1.236 148 L HN 0.833 nan 8.230 nan 0.000 0.410 149 R N 3.722 124.426 120.500 0.339 0.000 2.215 149 R HA 0.225 4.564 4.340 -0.000 0.000 0.336 149 R C -1.016 175.572 176.300 0.480 0.000 0.996 149 R CA -0.545 55.726 56.100 0.285 0.000 0.847 149 R CB 0.825 31.177 30.300 0.087 0.000 1.127 149 R HN 0.554 nan 8.270 nan 0.000 0.465 150 D N 3.543 124.168 120.400 0.375 0.000 2.280 150 D HA 0.147 4.787 4.640 -0.000 0.000 0.243 150 D C 0.514 177.116 176.300 0.503 0.000 1.129 150 D CA -0.074 54.189 54.000 0.438 0.000 0.848 150 D CB 1.922 42.877 40.800 0.259 0.000 1.107 150 D HN 0.659 nan 8.370 nan 0.000 0.471 151 A N 4.587 127.773 122.820 0.610 0.000 2.014 151 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 151 A C 1.669 179.475 177.584 0.370 0.000 1.163 151 A CA 0.655 53.035 52.037 0.571 0.000 0.652 151 A CB -0.108 19.093 19.000 0.335 0.000 0.808 151 A HN 0.628 nan 8.150 nan 0.000 0.449 152 N N -0.074 118.822 118.700 0.327 0.000 2.467 152 N HA 0.063 4.803 4.740 -0.000 0.000 0.184 152 N C 1.394 177.028 175.510 0.208 0.000 1.106 152 N CA 0.313 53.516 53.050 0.255 0.000 0.892 152 N CB -0.086 38.566 38.487 0.276 0.000 0.969 152 N HN 0.479 nan 8.380 nan 0.000 0.454 153 L N 0.984 122.331 121.223 0.207 0.000 2.127 153 L HA -0.142 4.198 4.340 -0.000 0.000 0.211 153 L C 1.364 178.314 176.870 0.133 0.000 1.089 153 L CA 1.325 56.257 54.840 0.153 0.000 0.757 153 L CB -0.137 42.004 42.059 0.136 0.000 0.899 153 L HN 0.121 nan 8.230 nan 0.000 0.434 154 E N -0.852 119.439 120.200 0.152 0.000 2.479 154 E HA -0.036 4.314 4.350 -0.000 0.000 0.193 154 E C 0.259 176.929 176.600 0.117 0.000 1.049 154 E CA -0.241 56.234 56.400 0.126 0.000 0.870 154 E CB 0.003 29.785 29.700 0.136 0.000 0.944 154 E HN 0.213 nan 8.360 nan 0.000 0.492 155 N N 1.659 120.435 118.700 0.126 0.000 2.663 155 N HA -0.029 4.711 4.740 -0.000 0.000 0.250 155 N C 0.437 176.000 175.510 0.087 0.000 1.129 155 N CA 0.133 53.245 53.050 0.105 0.000 0.995 155 N CB 0.439 38.995 38.487 0.115 0.000 1.324 155 N HN -0.027 nan 8.380 nan 0.000 0.512 156 T N -0.232 114.365 114.554 0.071 0.000 3.129 156 T HA 0.132 4.482 4.350 -0.000 0.000 0.251 156 T C 1.115 175.847 174.700 0.054 0.000 1.117 156 T CA 0.295 62.432 62.100 0.061 0.000 1.034 156 T CB -0.061 68.838 68.868 0.052 0.000 0.968 156 T HN 0.378 nan 8.240 nan 0.000 0.526 157 R N 0.136 120.666 120.500 0.049 0.000 2.334 157 R HA 0.350 4.690 4.340 -0.000 0.000 0.216 157 R C 2.151 178.474 176.300 0.038 0.000 0.905 157 R CA -0.003 56.116 56.100 0.033 0.000 1.064 157 R CB -0.084 30.221 30.300 0.008 0.000 1.046 157 R HN 0.268 nan 8.270 nan 0.000 0.508 158 V N 1.185 121.143 119.914 0.073 0.000 2.343 158 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 158 V C 1.748 177.978 176.094 0.226 0.000 1.051 158 V CA 1.799 64.177 62.300 0.131 0.000 1.036 158 V CB -0.079 31.846 31.823 0.172 0.000 0.654 158 V HN 0.319 nan 8.190 nan 0.000 0.451 159 L N -0.410 120.916 121.223 0.173 0.000 2.044 159 L HA -0.168 4.172 4.340 -0.000 0.000 0.205 159 L C 2.709 179.692 176.870 0.188 0.000 1.075 159 L CA 2.091 57.042 54.840 0.185 0.000 0.747 159 L CB -0.775 41.342 42.059 0.097 0.000 0.903 159 L HN 0.427 nan 8.230 nan 0.000 0.435 160 Q N 0.140 120.017 119.800 0.127 0.000 2.112 160 Q HA -0.330 4.010 4.340 -0.000 0.000 0.206 160 Q C 2.206 178.261 176.000 0.092 0.000 0.987 160 Q CA 2.200 58.080 55.803 0.128 0.000 0.858 160 Q CB -0.003 28.779 28.738 0.073 0.000 0.905 160 Q HN 0.357 nan 8.270 nan 0.000 0.420 161 Q N -0.302 119.507 119.800 0.015 0.000 2.050 161 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 161 Q C 1.598 177.471 176.000 -0.212 0.000 0.980 161 Q CA 1.967 57.675 55.803 -0.159 0.000 0.840 161 Q CB -0.472 28.084 28.738 -0.304 0.000 0.898 161 Q HN 0.535 nan 8.270 nan 0.000 0.424 162 W N -0.721 120.583 121.300 0.008 0.000 2.418 162 W HA -0.140 4.519 4.660 -0.000 0.000 0.292 162 W C 1.953 178.518 176.519 0.076 0.000 1.213 162 W CA 0.979 58.342 57.345 0.030 0.000 1.283 162 W CB -0.631 28.880 29.460 0.083 0.000 1.119 162 W HN 0.290 nan 8.180 nan 0.000 0.542 163 Y N 1.032 121.423 120.300 0.151 0.000 2.224 163 Y HA -0.254 4.295 4.550 -0.000 0.000 0.289 163 Y C 2.793 178.693 175.900 0.000 0.000 1.146 163 Y CA 1.884 60.032 58.100 0.080 0.000 1.182 163 Y CB -0.907 37.591 38.460 0.063 0.000 0.983 163 Y HN -0.217 nan 8.280 nan 0.000 0.524 164 S N -0.230 115.419 115.700 -0.084 0.000 2.355 164 S HA -0.164 4.305 4.470 -0.000 0.000 0.222 164 S C 2.147 176.586 174.600 -0.267 0.000 1.031 164 S CA 1.530 59.606 58.200 -0.207 0.000 0.993 164 S CB -0.578 62.527 63.200 -0.158 0.000 0.859 164 S HN 0.482 nan 8.310 nan 0.000 0.453 165 I N 2.113 122.490 120.570 -0.322 0.000 2.194 165 I HA -0.257 3.912 4.170 -0.000 0.000 0.246 165 I C 2.171 177.983 176.117 -0.508 0.000 1.093 165 I CA 1.580 62.565 61.300 -0.525 0.000 1.355 165 I CB -0.619 36.919 38.000 -0.771 0.000 1.046 165 I HN 0.445 nan 8.210 nan 0.000 0.413 166 N N 0.160 118.703 118.700 -0.263 0.000 2.348 166 N HA -0.223 4.517 4.740 -0.000 0.000 0.185 166 N C 1.378 176.821 175.510 -0.112 0.000 1.019 166 N CA 0.838 53.843 53.050 -0.075 0.000 0.880 166 N CB -0.042 38.514 38.487 0.114 0.000 0.965 166 N HN 0.542 nan 8.380 nan 0.000 0.437 167 Q N -0.042 119.628 119.800 -0.217 0.000 2.282 167 Q HA 0.260 4.600 4.340 -0.000 0.000 0.206 167 Q C -0.099 175.825 176.000 -0.126 0.000 0.878 167 Q CA -0.407 55.288 55.803 -0.181 0.000 0.944 167 Q CB 0.854 29.431 28.738 -0.269 0.000 1.100 167 Q HN 0.214 nan 8.270 nan 0.000 0.509 168 A N 0.987 123.715 122.820 -0.153 0.000 2.462 168 A HA 0.198 4.517 4.320 -0.000 0.000 0.243 168 A C 1.134 178.696 177.584 -0.037 0.000 1.076 168 A CA 0.159 52.122 52.037 -0.122 0.000 0.773 168 A CB 0.477 19.364 19.000 -0.189 0.000 1.010 168 A HN 0.329 nan 8.150 nan 0.000 0.493 169 S N 1.111 116.802 115.700 -0.016 0.000 2.371 169 S HA 0.109 4.579 4.470 -0.000 0.000 0.219 169 S C 0.452 175.082 174.600 0.050 0.000 1.040 169 S CA 0.949 59.176 58.200 0.045 0.000 0.958 169 S CB -0.345 62.872 63.200 0.029 0.000 0.860 169 S HN 0.892 nan 8.310 nan 0.000 0.487 170 D N -0.541 119.854 120.400 -0.007 0.000 2.781 170 D HA 0.420 5.060 4.640 -0.000 0.000 0.295 170 D C 0.956 177.239 176.300 -0.029 0.000 1.143 170 D CA -0.773 53.212 54.000 -0.025 0.000 1.076 170 D CB 0.689 41.447 40.800 -0.071 0.000 1.444 170 D HN -0.083 nan 8.370 nan 0.000 0.567 171 V N 0.187 120.084 119.914 -0.028 0.000 2.343 171 V HA -0.157 3.963 4.120 -0.000 0.000 0.247 171 V C 2.508 178.582 176.094 -0.033 0.000 1.051 171 V CA 2.765 65.055 62.300 -0.016 0.000 1.036 171 V CB -1.094 30.728 31.823 -0.002 0.000 0.654 171 V HN 0.753 nan 8.190 nan 0.000 0.451 172 A N -0.211 122.586 122.820 -0.039 0.000 1.908 172 A HA -0.318 4.002 4.320 -0.000 0.000 0.218 172 A C 2.041 179.594 177.584 -0.052 0.000 1.181 172 A CA 2.370 54.383 52.037 -0.042 0.000 0.627 172 A CB -0.713 18.263 19.000 -0.041 0.000 0.818 172 A HN 0.610 nan 8.150 nan 0.000 0.445 173 D N -0.843 119.522 120.400 -0.058 0.000 2.117 173 D HA -0.122 4.518 4.640 -0.000 0.000 0.198 173 D C 1.799 178.042 176.300 -0.094 0.000 0.982 173 D CA 1.183 55.142 54.000 -0.069 0.000 0.828 173 D CB -0.192 40.570 40.800 -0.064 0.000 0.967 173 D HN 0.239 nan 8.370 nan 0.000 0.464 174 L N 0.930 122.092 121.223 -0.101 0.000 2.012 174 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 174 L C 2.312 179.100 176.870 -0.135 0.000 1.073 174 L CA 1.838 56.591 54.840 -0.146 0.000 0.748 174 L CB -0.668 41.310 42.059 -0.134 0.000 0.891 174 L HN -0.037 nan 8.230 nan 0.000 0.431 175 R N -0.681 119.762 120.500 -0.094 0.000 2.083 175 R HA -0.179 4.160 4.340 -0.000 0.000 0.237 175 R C 2.464 178.712 176.300 -0.087 0.000 1.137 175 R CA 1.801 57.850 56.100 -0.084 0.000 0.951 175 R CB -0.213 30.054 30.300 -0.055 0.000 0.851 175 R HN 0.385 nan 8.270 nan 0.000 0.434 176 R N -0.160 120.293 120.500 -0.079 0.000 2.091 176 R HA -0.134 4.206 4.340 -0.000 0.000 0.238 176 R C 2.483 178.728 176.300 -0.092 0.000 1.136 176 R CA 1.859 57.914 56.100 -0.075 0.000 0.959 176 R CB -0.257 30.004 30.300 -0.065 0.000 0.856 176 R HN 0.274 nan 8.270 nan 0.000 0.437 177 R N -0.053 120.378 120.500 -0.116 0.000 2.092 177 R HA -0.055 4.284 4.340 -0.000 0.000 0.231 177 R C 2.283 178.487 176.300 -0.160 0.000 1.119 177 R CA 1.057 57.074 56.100 -0.139 0.000 0.970 177 R CB -0.147 30.050 30.300 -0.171 0.000 0.864 177 R HN 0.057 nan 8.270 nan 0.000 0.440 178 V N 0.965 120.773 119.914 -0.175 0.000 2.346 178 V HA -0.166 3.954 4.120 -0.000 0.000 0.244 178 V C 1.868 177.876 176.094 -0.142 0.000 1.037 178 V CA 1.658 63.842 62.300 -0.193 0.000 1.029 178 V CB -0.301 31.399 31.823 -0.205 0.000 0.663 178 V HN 0.310 nan 8.190 nan 0.000 0.454 179 E N 0.330 120.463 120.200 -0.111 0.000 2.153 179 E HA -0.161 4.188 4.350 -0.000 0.000 0.194 179 E C 2.267 178.821 176.600 -0.076 0.000 0.988 179 E CA 1.185 57.534 56.400 -0.085 0.000 0.811 179 E CB -0.257 29.402 29.700 -0.067 0.000 0.746 179 E HN 0.601 nan 8.360 nan 0.000 0.466 180 A N 0.702 123.475 122.820 -0.078 0.000 1.898 180 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 180 A C 2.046 179.593 177.584 -0.062 0.000 1.181 180 A CA 0.988 52.987 52.037 -0.064 0.000 0.620 180 A CB -0.176 18.786 19.000 -0.063 0.000 0.819 180 A HN 0.194 nan 8.150 nan 0.000 0.442 181 L N -1.400 119.775 121.223 -0.081 0.000 2.408 181 L HA 0.155 4.495 4.340 -0.000 0.000 0.215 181 L C 0.589 177.415 176.870 -0.073 0.000 1.081 181 L CA 0.940 55.736 54.840 -0.073 0.000 0.840 181 L CB -0.270 41.735 42.059 -0.090 0.000 1.002 181 L HN 0.551 nan 8.230 nan 0.000 0.468 182 Q N -0.318 119.425 119.800 -0.095 0.000 2.439 182 Q HA -0.226 4.114 4.340 -0.000 0.000 0.325 182 Q C 0.941 176.890 176.000 -0.084 0.000 1.372 182 Q CA 0.435 56.186 55.803 -0.087 0.000 0.909 182 Q CB -2.193 26.514 28.738 -0.052 0.000 1.167 182 Q HN 0.626 nan 8.270 nan 0.000 0.418 183 G N -0.283 108.434 108.800 -0.139 0.000 3.126 183 G HA2 0.261 4.221 3.960 -0.000 0.000 0.224 183 G HA3 0.261 4.221 3.960 -0.000 0.000 0.224 183 G C 0.519 175.300 174.900 -0.198 0.000 1.142 183 G CA -0.347 44.675 45.100 -0.129 0.000 0.759 183 G HN 0.347 nan 8.290 nan 0.000 0.550 184 I N 1.527 121.925 120.570 -0.286 0.000 2.452 184 I HA 0.153 4.322 4.170 -0.000 0.000 0.287 184 I C -1.498 174.507 176.117 -0.187 0.000 1.079 184 I CA -1.741 59.336 61.300 -0.371 0.000 1.387 184 I CB 2.149 39.904 38.000 -0.408 0.000 1.404 184 I HN -0.059 nan 8.210 nan 0.000 0.522 185 P HA -0.037 nan 4.420 nan 0.000 0.216 185 P C 0.341 177.493 177.300 -0.247 0.000 1.156 185 P CA 1.186 64.191 63.100 -0.157 0.000 0.855 185 P CB 0.235 31.826 31.700 -0.181 0.000 0.786 186 W N -1.765 119.395 121.300 -0.233 0.000 1.093 186 W HA 0.500 5.159 4.660 -0.000 0.000 0.215 186 W C -0.994 175.480 176.519 -0.075 0.000 0.789 186 W CA -0.526 56.498 57.345 -0.536 0.000 1.438 186 W CB -0.298 28.869 29.460 -0.488 0.000 0.864 186 W HN -0.291 nan 8.180 nan 0.000 0.402 187 V N -0.751 119.196 119.914 0.056 0.000 2.914 187 V HA 0.561 4.680 4.120 -0.000 0.000 0.314 187 V C 0.057 176.264 176.094 0.188 0.000 1.084 187 V CA -1.092 61.329 62.300 0.202 0.000 0.963 187 V CB 1.609 33.538 31.823 0.177 0.000 1.025 187 V HN 0.047 nan 8.190 nan 0.000 0.432 188 N N 1.257 120.101 118.700 0.240 0.000 2.371 188 N HA 0.376 5.115 4.740 -0.000 0.000 0.243 188 N C -0.181 175.482 175.510 0.256 0.000 1.287 188 N CA 0.140 53.275 53.050 0.142 0.000 0.911 188 N CB 1.022 39.628 38.487 0.198 0.000 1.142 188 N HN 0.925 nan 8.380 nan 0.000 0.451 189 T N 1.436 116.038 114.554 0.082 0.000 2.848 189 T HA 0.586 4.936 4.350 -0.000 0.000 0.285 189 T C -0.449 174.270 174.700 0.033 0.000 0.995 189 T CA -0.501 61.674 62.100 0.126 0.000 0.970 189 T CB 1.101 70.028 68.868 0.099 0.000 0.976 189 T HN 0.147 nan 8.240 nan 0.000 0.441 190 L N 2.323 123.602 121.223 0.093 0.000 2.381 190 L HA 0.949 5.288 4.340 -0.000 0.000 0.268 190 L C -0.296 176.658 176.870 0.141 0.000 0.997 190 L CA -0.537 54.387 54.840 0.140 0.000 0.818 190 L CB 2.006 44.183 42.059 0.198 0.000 1.310 190 L HN 0.873 nan 8.230 nan 0.000 0.416 191 A N 1.570 124.479 122.820 0.149 0.000 2.606 191 A HA 1.009 5.328 4.320 -0.000 0.000 0.293 191 A C -1.677 175.999 177.584 0.152 0.000 1.082 191 A CA -0.128 52.014 52.037 0.173 0.000 0.685 191 A CB 1.830 20.937 19.000 0.178 0.000 1.284 191 A HN 0.914 nan 8.150 nan 0.000 0.408 192 A N 1.033 123.962 122.820 0.181 0.000 2.475 192 A HA 0.832 5.151 4.320 -0.000 0.000 0.301 192 A C -1.316 176.358 177.584 0.150 0.000 1.059 192 A CA -0.163 51.975 52.037 0.168 0.000 0.710 192 A CB 1.332 20.455 19.000 0.205 0.000 1.288 192 A HN 1.234 nan 8.150 nan 0.000 0.408 193 D N -0.311 120.088 120.400 -0.001 0.000 2.450 193 D HA 0.316 4.956 4.640 -0.000 0.000 0.238 193 D C 0.660 176.669 176.300 -0.486 0.000 1.020 193 D CA -0.496 53.341 54.000 -0.272 0.000 1.010 193 D CB 0.801 41.497 40.800 -0.173 0.000 1.342 193 D HN 0.534 nan 8.370 nan 0.000 0.530 194 E N -0.994 118.691 120.200 -0.858 0.000 2.130 194 E HA -0.250 4.100 4.350 -0.000 0.000 0.196 194 E C 1.333 177.824 176.600 -0.182 0.000 0.998 194 E CA 1.141 57.199 56.400 -0.570 0.000 0.806 194 E CB 0.134 29.620 29.700 -0.355 0.000 0.738 194 E HN 0.335 nan 8.360 nan 0.000 0.459 195 Q N -0.926 118.775 119.800 -0.165 0.000 2.488 195 Q HA -0.022 4.317 4.340 -0.000 0.000 0.211 195 Q C 1.096 177.070 176.000 -0.044 0.000 0.967 195 Q CA 1.071 56.822 55.803 -0.087 0.000 0.926 195 Q CB 0.799 29.481 28.738 -0.093 0.000 0.992 195 Q HN 0.503 nan 8.270 nan 0.000 0.506 196 G N 1.313 110.093 108.800 -0.033 0.000 2.131 196 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.201 196 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.201 196 G C -0.183 174.727 174.900 0.016 0.000 1.000 196 G CA -0.350 44.757 45.100 0.013 0.000 0.680 196 G HN 0.224 nan 8.290 nan 0.000 0.514 197 N N 0.742 119.443 118.700 0.003 0.000 2.499 197 N HA 0.582 5.322 4.740 -0.000 0.000 0.281 197 N C 0.137 175.673 175.510 0.042 0.000 1.098 197 N CA 0.665 53.723 53.050 0.013 0.000 0.979 197 N CB 1.716 40.201 38.487 -0.004 0.000 1.121 197 N HN 0.687 nan 8.380 nan 0.000 0.466 198 A N 2.310 125.160 122.820 0.051 0.000 2.318 198 A HA 0.560 4.880 4.320 -0.000 0.000 0.317 198 A C -0.782 176.849 177.584 0.079 0.000 1.159 198 A CA -0.614 51.471 52.037 0.079 0.000 0.799 198 A CB 0.620 19.674 19.000 0.091 0.000 1.194 198 A HN 0.583 nan 8.150 nan 0.000 0.479 199 L N 2.720 124.003 121.223 0.101 0.000 2.362 199 L HA 0.723 5.063 4.340 -0.000 0.000 0.275 199 L C -1.320 175.647 176.870 0.160 0.000 0.998 199 L CA -0.524 54.377 54.840 0.102 0.000 0.820 199 L CB 1.641 43.735 42.059 0.059 0.000 1.270 199 L HN 0.664 nan 8.230 nan 0.000 0.415 200 Y N 5.540 125.864 120.300 0.041 0.000 2.364 200 Y HA 0.788 5.338 4.550 -0.000 0.000 0.340 200 Y C -1.279 174.644 175.900 0.037 0.000 0.975 200 Y CA -0.985 57.145 58.100 0.051 0.000 1.089 200 Y CB 1.724 40.214 38.460 0.050 0.000 1.192 200 Y HN 0.632 nan 8.280 nan 0.000 0.454 201 M N 5.837 124.997 119.600 -0.733 0.000 2.263 201 M HA 0.237 4.716 4.480 -0.000 0.000 0.295 201 M C -0.734 175.094 176.300 -0.786 0.000 1.028 201 M CA -0.355 54.590 55.300 -0.592 0.000 0.921 201 M CB 2.053 34.500 32.600 -0.256 0.000 1.601 201 M HN 0.787 nan 8.290 nan 0.000 0.440 202 N N 2.277 120.627 118.700 -0.584 0.000 2.994 202 N HA 0.077 4.817 4.740 -0.000 0.000 0.306 202 N C -0.794 174.634 175.510 -0.137 0.000 1.348 202 N CA -0.107 52.784 53.050 -0.265 0.000 1.109 202 N CB 0.588 39.011 38.487 -0.107 0.000 1.415 202 N HN 0.545 nan 8.380 nan 0.000 0.529 203 Q N 1.667 121.385 119.800 -0.137 0.000 2.509 203 Q HA 0.188 4.528 4.340 -0.000 0.000 0.236 203 Q C -0.627 175.334 176.000 -0.064 0.000 1.073 203 Q CA -0.181 55.565 55.803 -0.095 0.000 0.867 203 Q CB 1.286 29.954 28.738 -0.117 0.000 1.181 203 Q HN 0.516 nan 8.270 nan 0.000 0.526 204 S N -1.001 114.698 115.700 -0.001 0.000 2.851 204 S HA 0.591 5.061 4.470 -0.000 0.000 0.313 204 S C -0.201 174.447 174.600 0.079 0.000 1.163 204 S CA -0.802 57.420 58.200 0.036 0.000 0.850 204 S CB 1.144 64.432 63.200 0.146 0.000 1.245 204 S HN 0.128 nan 8.310 nan 0.000 0.558 205 V N 1.743 121.737 119.914 0.134 0.000 2.353 205 V HA 0.508 4.628 4.120 -0.000 0.000 0.264 205 V C -0.875 175.365 176.094 0.244 0.000 1.049 205 V CA -0.234 62.157 62.300 0.152 0.000 0.896 205 V CB 0.320 32.231 31.823 0.146 0.000 1.025 205 V HN 0.643 nan 8.190 nan 0.000 0.475 206 V N 7.718 127.673 119.914 0.067 0.000 2.577 206 V HA 0.390 4.509 4.120 -0.000 0.000 0.303 206 V C -2.459 173.495 176.094 -0.234 0.000 1.042 206 V CA -2.251 60.001 62.300 -0.080 0.000 0.872 206 V CB 2.269 34.034 31.823 -0.097 0.000 0.998 206 V HN 0.619 nan 8.190 nan 0.000 0.423 207 P HA -0.020 nan 4.420 nan 0.000 0.264 207 P C -1.254 175.740 177.300 -0.511 0.000 1.183 207 P CA 0.306 62.765 63.100 -1.068 0.000 0.763 207 P CB 0.084 30.777 31.700 -1.678 0.000 0.807 208 Y N 4.470 124.497 120.300 -0.455 0.000 2.331 208 Y HA 0.514 5.064 4.550 -0.000 0.000 0.338 208 Y C -1.023 174.822 175.900 -0.092 0.000 0.992 208 Y CA -0.874 57.117 58.100 -0.181 0.000 1.121 208 Y CB 0.700 39.132 38.460 -0.046 0.000 1.184 208 Y HN 0.216 nan 8.280 nan 0.000 0.469 209 L N 6.763 127.727 121.223 -0.432 0.000 2.381 209 L HA 0.433 4.772 4.340 -0.000 0.000 0.274 209 L C -0.368 176.104 176.870 -0.663 0.000 0.988 209 L CA -1.147 53.411 54.840 -0.469 0.000 0.824 209 L CB 1.970 43.909 42.059 -0.199 0.000 1.263 209 L HN 0.605 nan 8.230 nan 0.000 0.410 210 K N 3.963 123.970 120.400 -0.655 0.000 2.485 210 K HA -0.010 4.310 4.320 -0.000 0.000 0.277 210 K C -1.551 174.942 176.600 -0.178 0.000 0.990 210 K CA -1.029 55.028 56.287 -0.382 0.000 0.994 210 K CB 0.532 32.909 32.500 -0.204 0.000 0.906 210 K HN 0.287 nan 8.250 nan 0.000 0.488 211 P HA -0.290 nan 4.420 nan 0.000 0.216 211 P C 0.907 178.179 177.300 -0.047 0.000 1.157 211 P CA 1.458 64.531 63.100 -0.046 0.000 0.880 211 P CB 0.087 31.777 31.700 -0.016 0.000 0.791 212 E N 0.023 120.198 120.200 -0.041 0.000 2.338 212 E HA -0.129 4.221 4.350 -0.000 0.000 0.197 212 E C 1.737 178.317 176.600 -0.033 0.000 1.007 212 E CA 1.004 57.386 56.400 -0.030 0.000 0.849 212 E CB -1.065 28.623 29.700 -0.020 0.000 0.774 212 E HN 0.317 nan 8.360 nan 0.000 0.506 213 L N 0.243 121.438 121.223 -0.047 0.000 2.446 213 L HA 0.127 4.467 4.340 -0.000 0.000 0.219 213 L C 2.474 179.321 176.870 -0.039 0.000 1.116 213 L CA 0.098 54.916 54.840 -0.038 0.000 0.844 213 L CB -0.182 41.850 42.059 -0.044 0.000 0.970 213 L HN 0.001 nan 8.230 nan 0.000 0.457 214 I N 0.520 121.060 120.570 -0.051 0.000 2.202 214 I HA -0.173 3.997 4.170 -0.000 0.000 0.242 214 I C -0.252 175.840 176.117 -0.042 0.000 1.091 214 I CA 1.292 62.560 61.300 -0.054 0.000 1.368 214 I CB -1.318 36.645 38.000 -0.062 0.000 1.058 214 I HN 0.186 nan 8.210 nan 0.000 0.410 215 P HA -0.176 nan 4.420 nan 0.000 0.216 215 P C 1.218 178.505 177.300 -0.021 0.000 1.150 215 P CA 1.749 64.834 63.100 -0.027 0.000 0.837 215 P CB 0.033 31.720 31.700 -0.022 0.000 0.786 216 A N -2.192 120.618 122.820 -0.018 0.000 2.095 216 A HA -0.013 4.307 4.320 -0.000 0.000 0.212 216 A C 2.047 179.625 177.584 -0.010 0.000 1.162 216 A CA 0.691 52.722 52.037 -0.011 0.000 0.753 216 A CB -1.182 17.816 19.000 -0.005 0.000 0.840 216 A HN 0.201 nan 8.150 nan 0.000 0.468 217 c N -0.301 118.290 118.600 -0.015 0.000 2.563 217 c HA 0.514 5.084 4.570 -0.000 0.000 0.268 217 c C 1.658 175.724 174.090 -0.040 0.000 1.365 217 c CA -0.273 56.048 56.329 -0.012 0.000 1.754 217 c CB -1.311 41.199 42.510 0.000 0.000 1.932 217 c HN 0.618 nan 8.230 nan 0.000 0.536 218 A N 1.147 123.938 122.820 -0.048 0.000 2.351 218 A HA 0.530 4.849 4.320 -0.000 0.000 0.257 218 A C 0.001 177.558 177.584 -0.046 0.000 1.087 218 A CA 0.113 52.111 52.037 -0.064 0.000 0.798 218 A CB 0.125 19.088 19.000 -0.061 0.000 1.033 218 A HN 0.324 nan 8.150 nan 0.000 0.488 219 I N 3.804 124.345 120.570 -0.047 0.000 2.281 219 I HA 0.170 4.339 4.170 -0.000 0.000 0.293 219 I C -1.461 174.646 176.117 -0.016 0.000 1.085 219 I CA -2.009 59.280 61.300 -0.017 0.000 1.257 219 I CB 0.391 38.397 38.000 0.010 0.000 1.430 219 I HN 0.463 nan 8.210 nan 0.000 0.489 220 P HA -0.226 nan 4.420 nan 0.000 0.215 220 P C 1.411 178.706 177.300 -0.008 0.000 1.157 220 P CA 1.507 64.599 63.100 -0.013 0.000 0.874 220 P CB 0.103 31.798 31.700 -0.007 0.000 0.790 221 Q N 0.002 119.804 119.800 0.003 0.000 2.170 221 Q HA -0.107 4.233 4.340 -0.000 0.000 0.203 221 Q C 2.238 178.241 176.000 0.005 0.000 0.976 221 Q CA 1.394 57.202 55.803 0.008 0.000 0.858 221 Q CB -1.321 27.428 28.738 0.018 0.000 0.907 221 Q HN 0.312 nan 8.270 nan 0.000 0.433 222 L N 0.424 121.646 121.223 -0.002 0.000 2.131 222 L HA -0.051 4.289 4.340 -0.000 0.000 0.206 222 L C 2.570 179.425 176.870 -0.024 0.000 1.087 222 L CA 0.398 55.229 54.840 -0.015 0.000 0.767 222 L CB -0.285 41.754 42.059 -0.034 0.000 0.917 222 L HN -0.008 nan 8.230 nan 0.000 0.441 223 V N 0.420 120.312 119.914 -0.036 0.000 2.407 223 V HA -0.250 3.869 4.120 -0.000 0.000 0.248 223 V C 2.738 178.813 176.094 -0.031 0.000 1.055 223 V CA 1.715 63.986 62.300 -0.049 0.000 1.049 223 V CB -0.804 30.982 31.823 -0.062 0.000 0.662 223 V HN 0.466 nan 8.190 nan 0.000 0.455 224 A N -0.366 122.443 122.820 -0.019 0.000 2.070 224 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 224 A C 1.953 179.537 177.584 -0.000 0.000 1.159 224 A CA 1.549 53.580 52.037 -0.010 0.000 0.656 224 A CB -0.376 18.622 19.000 -0.004 0.000 0.800 224 A HN 0.675 nan 8.150 nan 0.000 0.453 225 E N -1.525 118.679 120.200 0.007 0.000 2.463 225 E HA 0.311 4.661 4.350 -0.000 0.000 0.193 225 E C 0.979 177.598 176.600 0.032 0.000 1.041 225 E CA 0.196 56.611 56.400 0.025 0.000 0.879 225 E CB 0.014 29.739 29.700 0.041 0.000 0.997 225 E HN 0.680 nan 8.360 nan 0.000 0.478 226 G N 1.535 110.341 108.800 0.010 0.000 2.143 226 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.249 226 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.249 226 G C 0.041 174.945 174.900 0.007 0.000 0.981 226 G CA -0.161 44.944 45.100 0.008 0.000 0.665 226 G HN 0.217 nan 8.290 nan 0.000 0.528 227 L N 1.974 123.194 121.223 -0.005 0.000 2.264 227 L HA 0.420 4.760 4.340 -0.000 0.000 0.289 227 L C -1.758 175.034 176.870 -0.129 0.000 1.044 227 L CA -2.235 52.590 54.840 -0.026 0.000 0.807 227 L CB 1.661 43.709 42.059 -0.017 0.000 1.192 227 L HN -0.086 nan 8.230 nan 0.000 0.425 228 P HA 0.181 nan 4.420 nan 0.000 0.273 228 P C -1.087 176.039 177.300 -0.290 0.000 1.428 228 P CA -0.071 62.825 63.100 -0.340 0.000 0.995 228 P CB 0.831 32.185 31.700 -0.577 0.000 1.286 229 A N 4.917 127.613 122.820 -0.206 0.000 2.356 229 A HA 0.755 5.075 4.320 -0.000 0.000 0.310 229 A C -0.753 176.706 177.584 -0.208 0.000 1.075 229 A CA -0.716 51.215 52.037 -0.178 0.000 0.746 229 A CB 1.124 20.077 19.000 -0.077 0.000 1.221 229 A HN 0.426 nan 8.150 nan 0.000 0.443 230 L N 1.115 122.139 121.223 -0.332 0.000 2.301 230 L HA 0.467 4.807 4.340 -0.000 0.000 0.264 230 L C -0.211 176.558 176.870 -0.169 0.000 1.016 230 L CA -1.117 53.539 54.840 -0.307 0.000 0.821 230 L CB 1.757 43.502 42.059 -0.523 0.000 1.346 230 L HN 0.632 nan 8.230 nan 0.000 0.429 231 Q N 1.130 120.906 119.800 -0.039 0.000 2.307 231 Q HA 0.126 4.466 4.340 -0.000 0.000 0.261 231 Q C 0.757 176.829 176.000 0.120 0.000 1.051 231 Q CA 0.019 55.835 55.803 0.022 0.000 0.911 231 Q CB 1.184 29.935 28.738 0.022 0.000 1.227 231 Q HN 0.901 nan 8.270 nan 0.000 0.418 232 G N 2.562 111.413 108.800 0.085 0.000 2.920 232 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.208 232 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.208 232 G C 0.950 175.935 174.900 0.141 0.000 1.159 232 G CA 0.031 45.137 45.100 0.010 0.000 0.784 232 G HN 0.496 nan 8.290 nan 0.000 0.535 233 Q N 0.255 120.115 119.800 0.101 0.000 2.282 233 Q HA 0.083 4.422 4.340 -0.000 0.000 0.206 233 Q C -0.874 175.174 176.000 0.079 0.000 0.878 233 Q CA 0.046 55.908 55.803 0.098 0.000 0.944 233 Q CB 0.463 29.233 28.738 0.054 0.000 1.100 233 Q HN 0.257 nan 8.270 nan 0.000 0.509 234 D N 1.023 121.477 120.400 0.090 0.000 2.492 234 D HA 0.138 4.778 4.640 -0.000 0.000 0.248 234 D C 0.618 176.972 176.300 0.090 0.000 1.101 234 D CA -0.101 53.942 54.000 0.071 0.000 0.840 234 D CB 1.969 42.804 40.800 0.059 0.000 1.209 234 D HN 0.064 nan 8.370 nan 0.000 0.524 235 S N 3.592 119.331 115.700 0.065 0.000 2.442 235 S HA -0.131 4.338 4.470 -0.000 0.000 0.236 235 S C 1.490 176.132 174.600 0.070 0.000 1.007 235 S CA 0.551 58.787 58.200 0.061 0.000 0.965 235 S CB -0.058 63.157 63.200 0.024 0.000 0.773 235 S HN 0.505 nan 8.310 nan 0.000 0.504 236 R N -0.116 120.422 120.500 0.063 0.000 2.280 236 R HA 0.169 4.509 4.340 -0.000 0.000 0.207 236 R C 1.142 177.493 176.300 0.085 0.000 1.043 236 R CA 0.875 57.011 56.100 0.060 0.000 1.006 236 R CB -0.535 29.789 30.300 0.039 0.000 0.885 236 R HN 0.461 nan 8.270 nan 0.000 0.467 237 c N 0.804 119.477 118.600 0.123 0.000 2.673 237 c HA 0.349 4.919 4.570 -0.000 0.000 0.274 237 c C 1.238 175.509 174.090 0.302 0.000 1.276 237 c CA -1.044 55.396 56.329 0.184 0.000 1.701 237 c CB -1.223 41.402 42.510 0.192 0.000 1.836 237 c HN 0.394 nan 8.230 nan 0.000 0.596 238 A N 0.524 123.479 122.820 0.225 0.000 2.483 238 A HA 0.295 4.615 4.320 -0.000 0.000 0.238 238 A C -0.049 177.738 177.584 0.338 0.000 1.070 238 A CA 0.037 52.206 52.037 0.221 0.000 0.770 238 A CB 0.120 19.187 19.000 0.112 0.000 1.008 238 A HN 0.584 nan 8.150 nan 0.000 0.497 239 W N 1.561 122.971 121.300 0.183 0.000 2.231 239 W HA 0.208 4.867 4.660 -0.000 0.000 0.341 239 W C 0.521 177.092 176.519 0.085 0.000 1.298 239 W CA -0.606 56.813 57.345 0.123 0.000 1.266 239 W CB -0.622 28.935 29.460 0.161 0.000 1.172 239 W HN 0.612 nan 8.180 nan 0.000 0.568 240 S N 3.120 118.957 115.700 0.228 0.000 2.564 240 S HA 0.339 4.809 4.470 -0.000 0.000 0.278 240 S C 0.279 175.066 174.600 0.310 0.000 1.333 240 S CA -0.590 57.692 58.200 0.136 0.000 1.048 240 S CB 0.608 63.701 63.200 -0.178 0.000 0.900 240 S HN 0.210 nan 8.310 nan 0.000 0.505 241 R N 2.171 122.814 120.500 0.239 0.000 2.215 241 R HA 0.285 4.624 4.340 -0.000 0.000 0.336 241 R C -0.903 175.523 176.300 0.211 0.000 0.996 241 R CA -0.391 55.842 56.100 0.221 0.000 0.847 241 R CB 0.685 31.074 30.300 0.149 0.000 1.127 241 R HN 0.520 nan 8.270 nan 0.000 0.465 242 D N 4.288 124.809 120.400 0.202 0.000 2.408 242 D HA 0.217 4.857 4.640 -0.000 0.000 0.243 242 D C -1.843 174.492 176.300 0.059 0.000 1.075 242 D CA -2.263 51.812 54.000 0.125 0.000 0.832 242 D CB 2.190 43.029 40.800 0.065 0.000 1.162 242 D HN 0.169 nan 8.370 nan 0.000 0.515 243 P HA 0.002 nan 4.420 nan 0.000 0.225 243 P C 0.861 178.169 177.300 0.013 0.000 1.148 243 P CA 0.534 63.654 63.100 0.034 0.000 0.779 243 P CB 0.283 32.003 31.700 0.032 0.000 0.780 244 A N -0.404 122.414 122.820 -0.003 0.000 2.119 244 A HA 0.270 4.590 4.320 -0.000 0.000 0.217 244 A C 1.366 178.929 177.584 -0.036 0.000 1.153 244 A CA 0.583 52.607 52.037 -0.022 0.000 0.692 244 A CB -1.005 17.975 19.000 -0.034 0.000 0.799 244 A HN 0.262 nan 8.150 nan 0.000 0.458 245 A N -0.803 121.993 122.820 -0.040 0.000 2.407 245 A HA 0.554 4.874 4.320 -0.000 0.000 0.248 245 A C 1.422 179.003 177.584 -0.006 0.000 1.082 245 A CA 0.237 52.249 52.037 -0.041 0.000 0.785 245 A CB 0.226 19.200 19.000 -0.043 0.000 1.020 245 A HN 1.066 nan 8.150 nan 0.000 0.489 246 A N 0.873 123.688 122.820 -0.007 0.000 2.121 246 A HA 0.087 4.407 4.320 -0.000 0.000 0.218 246 A C 0.987 178.589 177.584 0.029 0.000 1.154 246 A CA 1.625 53.665 52.037 0.004 0.000 0.679 246 A CB -0.168 18.828 19.000 -0.008 0.000 0.795 246 A HN 0.858 nan 8.150 nan 0.000 0.458 247 Q N -1.191 118.638 119.800 0.048 0.000 2.315 247 Q HA 0.571 4.911 4.340 -0.000 0.000 0.273 247 Q C -1.061 175.007 176.000 0.114 0.000 1.053 247 Q CA -0.596 55.256 55.803 0.082 0.000 0.817 247 Q CB 1.916 30.713 28.738 0.099 0.000 1.326 247 Q HN 0.318 nan 8.270 nan 0.000 0.423 248 A N 1.645 124.540 122.820 0.125 0.000 2.524 248 A HA 0.475 4.795 4.320 -0.000 0.000 0.250 248 A C 1.126 178.858 177.584 0.246 0.000 1.078 248 A CA 1.143 53.273 52.037 0.154 0.000 0.761 248 A CB -0.621 18.453 19.000 0.123 0.000 1.012 248 A HN 1.427 nan 8.150 nan 0.000 0.500 249 G N 1.349 110.326 108.800 0.294 0.000 2.175 249 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.244 249 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.244 249 G C 0.306 175.443 174.900 0.396 0.000 0.982 249 G CA 0.359 45.741 45.100 0.470 0.000 0.641 249 G HN 1.894 nan 8.290 nan 0.000 0.527 250 I N -0.920 119.787 120.570 0.228 0.000 2.793 250 I HA 0.792 4.961 4.170 -0.000 0.000 0.313 250 I C 0.340 176.448 176.117 -0.015 0.000 0.998 250 I CA -0.804 60.547 61.300 0.086 0.000 1.140 250 I CB 1.503 39.546 38.000 0.071 0.000 1.327 250 I HN -0.045 nan 8.210 nan 0.000 0.491 251 T N 4.919 119.422 114.554 -0.084 0.000 2.814 251 T HA 0.281 4.631 4.350 -0.000 0.000 0.297 251 T C -2.320 172.224 174.700 -0.260 0.000 0.956 251 T CA -0.559 61.378 62.100 -0.271 0.000 1.123 251 T CB 0.311 69.119 68.868 -0.099 0.000 0.902 251 T HN 0.492 nan 8.240 nan 0.000 0.528 252 P HA 0.178 nan 4.420 nan 0.000 0.269 252 P C 0.523 177.746 177.300 -0.129 0.000 1.215 252 P CA -0.274 62.698 63.100 -0.213 0.000 0.780 252 P CB 0.429 31.991 31.700 -0.230 0.000 0.898 253 A N 3.164 125.934 122.820 -0.083 0.000 1.978 253 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 253 A C 2.082 179.649 177.584 -0.027 0.000 1.170 253 A CA 2.139 54.144 52.037 -0.055 0.000 0.636 253 A CB -1.633 17.335 19.000 -0.053 0.000 0.810 253 A HN 0.565 nan 8.150 nan 0.000 0.448 254 A N -1.108 121.696 122.820 -0.026 0.000 2.121 254 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 254 A C 1.883 179.496 177.584 0.048 0.000 1.154 254 A CA 1.365 53.406 52.037 0.006 0.000 0.679 254 A CB -0.325 18.671 19.000 -0.007 0.000 0.795 254 A HN 0.679 nan 8.150 nan 0.000 0.458 255 Q N -0.909 118.914 119.800 0.038 0.000 2.282 255 Q HA 0.350 4.690 4.340 -0.000 0.000 0.206 255 Q C -0.629 175.517 176.000 0.244 0.000 0.878 255 Q CA -0.143 55.730 55.803 0.117 0.000 0.944 255 Q CB 0.373 29.134 28.738 0.038 0.000 1.100 255 Q HN 0.546 nan 8.270 nan 0.000 0.509 256 L N 1.534 122.842 121.223 0.143 0.000 2.325 256 L HA 0.444 4.783 4.340 -0.000 0.000 0.278 256 L C -2.327 174.539 176.870 -0.007 0.000 1.023 256 L CA -2.450 52.412 54.840 0.038 0.000 0.811 256 L CB 1.135 43.175 42.059 -0.033 0.000 1.249 256 L HN -0.207 nan 8.230 nan 0.000 0.431 257 P HA 0.096 nan 4.420 nan 0.000 0.267 257 P C -1.060 176.238 177.300 -0.003 0.000 1.205 257 P CA 0.047 62.975 63.100 -0.286 0.000 0.765 257 P CB 0.767 32.142 31.700 -0.541 0.000 0.828 258 V N 4.853 124.839 119.914 0.121 0.000 2.760 258 V HA 0.495 4.615 4.120 -0.000 0.000 0.309 258 V C -0.623 175.580 176.094 0.181 0.000 1.077 258 V CA -0.619 61.748 62.300 0.111 0.000 0.910 258 V CB 2.273 34.125 31.823 0.049 0.000 1.008 258 V HN 0.285 nan 8.190 nan 0.000 0.424 259 L N 5.089 126.441 121.223 0.214 0.000 2.439 259 L HA 0.722 5.062 4.340 -0.000 0.000 0.270 259 L C -1.413 175.524 176.870 0.111 0.000 0.972 259 L CA -0.337 54.597 54.840 0.157 0.000 0.836 259 L CB 1.652 43.801 42.059 0.150 0.000 1.255 259 L HN 0.643 nan 8.230 nan 0.000 0.404 260 L N 5.635 126.894 121.223 0.060 0.000 2.316 260 L HA 0.705 5.045 4.340 -0.000 0.000 0.280 260 L C -0.656 176.222 176.870 0.012 0.000 1.006 260 L CA 0.134 54.997 54.840 0.038 0.000 0.836 260 L CB 0.917 42.992 42.059 0.027 0.000 1.221 260 L HN 0.704 nan 8.230 nan 0.000 0.418 261 R N 3.251 123.752 120.500 0.003 0.000 2.885 261 R HA 0.587 4.927 4.340 -0.000 0.000 0.260 261 R C -0.004 176.289 176.300 -0.011 0.000 1.107 261 R CA -0.840 55.245 56.100 -0.026 0.000 0.978 261 R CB 1.777 32.028 30.300 -0.081 0.000 1.227 261 R HN 0.478 nan 8.270 nan 0.000 0.473 262 R N 0.195 120.684 120.500 -0.018 0.000 2.476 262 R HA 0.043 4.383 4.340 -0.000 0.000 0.276 262 R C 0.046 176.356 176.300 0.016 0.000 0.941 262 R CA 0.225 56.327 56.100 0.003 0.000 1.088 262 R CB 0.466 30.766 30.300 0.001 0.000 1.216 262 R HN 0.618 nan 8.270 nan 0.000 0.533 263 D N 0.750 121.146 120.400 -0.006 0.000 2.628 263 D HA -0.009 4.630 4.640 -0.000 0.000 0.258 263 D C 0.597 176.996 176.300 0.165 0.000 1.165 263 D CA 0.573 54.602 54.000 0.047 0.000 0.991 263 D CB -0.050 40.751 40.800 0.002 0.000 1.104 263 D HN 0.065 nan 8.370 nan 0.000 0.438 264 F N -0.609 119.341 119.950 0.000 0.000 2.719 264 F HA 0.605 5.132 4.527 -0.000 0.000 0.309 264 F C -1.612 174.194 175.800 0.010 0.000 1.138 264 F CA -1.624 56.379 58.000 0.005 0.000 0.943 264 F CB 1.420 40.412 39.000 -0.013 0.000 1.304 264 F HN 0.090 nan 8.300 nan 0.000 0.445 265 V N 0.576 120.630 119.914 0.233 0.000 2.876 265 V HA 0.945 5.065 4.120 -0.000 0.000 0.312 265 V C -1.445 174.825 176.094 0.293 0.000 1.085 265 V CA -0.704 61.694 62.300 0.165 0.000 0.945 265 V CB 1.392 33.286 31.823 0.119 0.000 1.017 265 V HN 1.314 nan 8.190 nan 0.000 0.428 266 Q N 1.862 121.794 119.800 0.219 0.000 2.456 266 Q HA 0.675 5.015 4.340 -0.000 0.000 0.284 266 Q C -1.361 174.701 176.000 0.103 0.000 1.061 266 Q CA -0.598 55.317 55.803 0.187 0.000 0.799 266 Q CB 2.117 30.966 28.738 0.185 0.000 1.445 266 Q HN 0.912 nan 8.270 nan 0.000 0.411 267 N N 0.245 119.034 118.700 0.147 0.000 2.371 267 N HA 0.369 5.109 4.740 -0.000 0.000 0.280 267 N C -1.432 174.164 175.510 0.142 0.000 1.084 267 N CA -0.353 52.779 53.050 0.136 0.000 0.892 267 N CB 2.078 40.694 38.487 0.216 0.000 1.653 267 N HN 0.609 nan 8.380 nan 0.000 0.480 268 S N 2.146 117.924 115.700 0.131 0.000 2.474 268 S HA 0.261 4.731 4.470 -0.000 0.000 0.224 268 S C 0.049 174.715 174.600 0.110 0.000 1.209 268 S CA -0.442 57.824 58.200 0.108 0.000 1.212 268 S CB -0.576 62.717 63.200 0.155 0.000 1.137 268 S HN 0.817 nan 8.310 nan 0.000 0.446 269 N N 1.088 119.867 118.700 0.131 0.000 2.909 269 N HA -0.146 4.594 4.740 -0.000 0.000 0.242 269 N C -0.640 174.949 175.510 0.132 0.000 0.975 269 N CA 1.055 54.188 53.050 0.139 0.000 0.921 269 N CB -0.769 37.784 38.487 0.111 0.000 1.112 269 N HN 0.472 nan 8.380 nan 0.000 0.581 270 D N 0.265 120.742 120.400 0.128 0.000 2.451 270 D HA 0.254 4.894 4.640 -0.000 0.000 0.259 270 D C 0.927 177.313 176.300 0.144 0.000 1.201 270 D CA 0.007 54.084 54.000 0.128 0.000 1.028 270 D CB 0.590 41.465 40.800 0.126 0.000 1.095 270 D HN 0.209 nan 8.370 nan 0.000 0.539 271 S N -0.793 114.999 115.700 0.153 0.000 2.617 271 S HA 0.209 4.679 4.470 -0.000 0.000 0.255 271 S C 1.225 175.909 174.600 0.140 0.000 1.318 271 S CA -0.025 58.267 58.200 0.155 0.000 0.978 271 S CB 0.802 64.095 63.200 0.155 0.000 0.961 271 S HN 0.514 nan 8.310 nan 0.000 0.582 272 A N -0.100 122.797 122.820 0.128 0.000 2.070 272 A HA -0.031 4.288 4.320 -0.000 0.000 0.220 272 A C 1.713 179.330 177.584 0.055 0.000 1.159 272 A CA 1.375 53.429 52.037 0.029 0.000 0.656 272 A CB -1.413 17.634 19.000 0.078 0.000 0.800 272 A HN 0.988 nan 8.150 nan 0.000 0.453 273 W N 0.481 121.772 121.300 -0.016 0.000 2.283 273 W HA -0.221 4.438 4.660 -0.001 0.000 0.335 273 W C 1.053 177.571 176.519 -0.002 0.000 1.313 273 W CA 2.113 59.476 57.345 0.030 0.000 1.263 273 W CB -0.618 28.878 29.460 0.060 0.000 1.141 273 W HN 0.219 nan 8.180 nan 0.000 0.468 274 L N 0.703 121.843 121.223 -0.139 0.000 2.984 274 L HA 0.111 4.451 4.340 -0.000 0.000 0.246 274 L C 1.742 178.500 176.870 -0.186 0.000 1.268 274 L CA 0.030 54.672 54.840 -0.329 0.000 1.054 274 L CB -0.470 41.294 42.059 -0.491 0.000 1.393 274 L HN -0.161 nan 8.230 nan 0.000 0.532 275 T N 0.001 114.427 114.554 -0.212 0.000 2.649 275 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 275 T C 1.018 175.627 174.700 -0.152 0.000 1.036 275 T CA 1.601 63.536 62.100 -0.275 0.000 1.157 275 T CB -0.158 68.368 68.868 -0.570 0.000 0.861 275 T HN 0.282 nan 8.240 nan 0.000 0.445 276 N N -0.010 118.572 118.700 -0.197 0.000 2.533 276 N HA 0.240 4.980 4.740 -0.000 0.000 0.289 276 N C -2.734 172.658 175.510 -0.198 0.000 1.103 276 N CA -1.973 50.914 53.050 -0.271 0.000 0.877 276 N CB 2.146 40.318 38.487 -0.526 0.000 1.419 276 N HN -0.163 nan 8.380 nan 0.000 0.517 277 P HA -0.056 nan 4.420 nan 0.000 0.220 277 P C 0.849 178.084 177.300 -0.110 0.000 1.144 277 P CA 0.982 63.994 63.100 -0.147 0.000 0.800 277 P CB 0.314 31.949 31.700 -0.109 0.000 0.772 278 A N -1.434 121.317 122.820 -0.115 0.000 2.121 278 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 278 A C 1.506 179.046 177.584 -0.073 0.000 1.154 278 A CA 1.220 53.204 52.037 -0.089 0.000 0.679 278 A CB -0.528 18.409 19.000 -0.105 0.000 0.795 278 A HN 0.202 nan 8.150 nan 0.000 0.458 279 S N 0.330 115.979 115.700 -0.084 0.000 2.293 279 S HA 0.472 4.941 4.470 -0.000 0.000 0.154 279 S C -3.098 171.499 174.600 -0.005 0.000 1.602 279 S CA -1.412 56.766 58.200 -0.037 0.000 1.260 279 S CB 0.256 63.429 63.200 -0.045 0.000 1.270 279 S HN 0.064 nan 8.310 nan 0.000 0.416 280 P HA 0.218 nan 4.420 nan 0.000 0.269 280 P C -0.928 176.502 177.300 0.218 0.000 1.209 280 P CA -0.237 62.923 63.100 0.100 0.000 0.776 280 P CB 0.476 32.287 31.700 0.185 0.000 0.876 281 L N 3.252 124.665 121.223 0.318 0.000 2.265 281 L HA 0.366 4.706 4.340 -0.000 0.000 0.289 281 L C 0.568 177.759 176.870 0.535 0.000 1.033 281 L CA -0.012 55.081 54.840 0.422 0.000 0.814 281 L CB 0.491 42.764 42.059 0.357 0.000 1.203 281 L HN 0.361 nan 8.230 nan 0.000 0.423 282 Q N 1.281 121.320 119.800 0.398 0.000 2.495 282 Q HA 0.592 4.932 4.340 -0.000 0.000 0.287 282 Q C 0.434 176.370 176.000 -0.106 0.000 1.078 282 Q CA -0.420 55.501 55.803 0.197 0.000 0.793 282 Q CB 2.386 31.189 28.738 0.109 0.000 1.459 282 Q HN 0.734 nan 8.270 nan 0.000 0.422 283 G N 0.241 108.969 108.800 -0.120 0.000 2.141 283 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.242 283 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.242 283 G C -0.538 174.150 174.900 -0.354 0.000 0.982 283 G CA -0.240 44.707 45.100 -0.256 0.000 0.662 283 G HN 0.326 nan 8.290 nan 0.000 0.527 284 F N 1.067 121.019 119.950 0.003 0.000 2.380 284 F HA 0.711 5.238 4.527 -0.000 0.000 0.321 284 F C 1.278 177.073 175.800 -0.008 0.000 1.103 284 F CA -0.113 57.894 58.000 0.011 0.000 1.067 284 F CB 1.246 40.263 39.000 0.028 0.000 1.265 284 F HN 0.092 nan 8.300 nan 0.000 0.517 285 S N 2.720 118.540 115.700 0.201 0.000 2.563 285 S HA 0.057 4.527 4.470 -0.000 0.000 0.284 285 S C -1.334 173.299 174.600 0.054 0.000 1.331 285 S CA -1.126 57.127 58.200 0.087 0.000 1.047 285 S CB 0.575 63.820 63.200 0.075 0.000 0.859 285 S HN 0.401 nan 8.310 nan 0.000 0.514 286 P HA -0.091 nan 4.420 nan 0.000 0.221 286 P C 1.183 178.447 177.300 -0.061 0.000 1.145 286 P CA 1.098 64.179 63.100 -0.031 0.000 0.795 286 P CB -0.080 31.590 31.700 -0.050 0.000 0.775 287 L N -1.750 119.425 121.223 -0.080 0.000 2.478 287 L HA -0.037 4.303 4.340 -0.000 0.000 0.223 287 L C 2.237 179.032 176.870 -0.125 0.000 1.140 287 L CA 0.600 55.355 54.840 -0.142 0.000 0.842 287 L CB -0.319 41.631 42.059 -0.181 0.000 0.953 287 L HN -0.127 nan 8.230 nan 0.000 0.452 288 V N -2.845 117.040 119.914 -0.049 0.000 2.870 288 V HA 0.162 4.282 4.120 -0.000 0.000 0.232 288 V C 0.600 176.673 176.094 -0.035 0.000 1.161 288 V CA 0.366 62.642 62.300 -0.040 0.000 1.204 288 V CB 1.006 32.847 31.823 0.029 0.000 1.003 288 V HN 0.244 nan 8.190 nan 0.000 0.499 289 S N -0.471 115.239 115.700 0.016 0.000 2.562 289 S HA 0.541 5.011 4.470 -0.000 0.000 0.274 289 S C -1.477 173.159 174.600 0.060 0.000 1.160 289 S CA -0.579 57.637 58.200 0.027 0.000 0.933 289 S CB 1.543 64.714 63.200 -0.049 0.000 1.100 289 S HN 0.397 nan 8.310 nan 0.000 0.468 290 Q N 1.903 121.716 119.800 0.022 0.000 2.387 290 Q HA 0.403 4.743 4.340 -0.000 0.000 0.273 290 Q C -0.900 175.024 176.000 -0.127 0.000 1.089 290 Q CA -0.904 54.869 55.803 -0.050 0.000 0.824 290 Q CB 2.014 30.719 28.738 -0.055 0.000 1.367 290 Q HN 0.646 nan 8.270 nan 0.000 0.443 291 E N 1.768 121.738 120.200 -0.383 0.000 1.972 291 E HA 0.062 4.411 4.350 -0.000 0.000 0.292 291 E C -0.626 175.675 176.600 -0.499 0.000 1.193 291 E CA -0.011 55.835 56.400 -0.923 0.000 1.228 291 E CB 0.177 28.930 29.700 -1.577 0.000 1.167 291 E HN 0.139 nan 8.360 nan 0.000 0.479 292 K N 2.360 122.714 120.400 -0.078 0.000 2.110 292 K HA 0.308 4.628 4.320 -0.000 0.000 0.263 292 K C -2.498 174.163 176.600 0.101 0.000 0.975 292 K CA -2.302 53.973 56.287 -0.021 0.000 0.895 292 K CB 0.825 33.322 32.500 -0.004 0.000 1.060 292 K HN -0.071 nan 8.250 nan 0.000 0.448 293 P HA -0.056 nan 4.420 nan 0.000 0.262 293 P C -0.514 176.775 177.300 -0.018 0.000 1.182 293 P CA 0.132 63.012 63.100 -0.367 0.000 0.761 293 P CB 0.154 31.319 31.700 -0.891 0.000 0.795 294 I N -0.124 120.506 120.570 0.099 0.000 2.779 294 I HA 0.455 4.624 4.170 -0.000 0.000 0.285 294 I C 0.860 177.046 176.117 0.115 0.000 1.134 294 I CA -0.579 60.789 61.300 0.114 0.000 1.398 294 I CB 0.368 38.428 38.000 0.100 0.000 1.404 294 I HN 0.250 nan 8.210 nan 0.000 0.587 295 G N 3.517 112.390 108.800 0.123 0.000 2.634 295 G HA2 0.337 4.296 3.960 -0.000 0.000 0.255 295 G HA3 0.337 4.296 3.960 -0.000 0.000 0.255 295 G C -1.471 173.553 174.900 0.208 0.000 1.205 295 G CA -1.050 44.137 45.100 0.145 0.000 0.884 295 G HN 0.670 nan 8.290 nan 0.000 0.549 296 P HA -0.067 nan 4.420 nan 0.000 0.221 296 P C 1.563 179.088 177.300 0.375 0.000 1.150 296 P CA 0.741 64.091 63.100 0.417 0.000 0.800 296 P CB 0.286 32.263 31.700 0.462 0.000 0.787 297 R N 0.207 120.888 120.500 0.301 0.000 2.073 297 R HA -0.049 4.291 4.340 -0.000 0.000 0.234 297 R C 2.517 179.025 176.300 0.347 0.000 1.134 297 R CA 1.693 58.014 56.100 0.367 0.000 0.952 297 R CB -1.008 29.481 30.300 0.316 0.000 0.850 297 R HN 0.141 nan 8.270 nan 0.000 0.433 298 A N 0.931 123.889 122.820 0.229 0.000 1.930 298 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 298 A C 2.122 179.729 177.584 0.039 0.000 1.175 298 A CA 1.148 53.275 52.037 0.149 0.000 0.627 298 A CB -0.412 18.656 19.000 0.114 0.000 0.815 298 A HN 0.213 nan 8.150 nan 0.000 0.443 299 R N -1.848 118.689 120.500 0.062 0.000 2.081 299 R HA -0.204 4.136 4.340 -0.000 0.000 0.235 299 R C 2.061 178.140 176.300 -0.369 0.000 1.131 299 R CA 1.972 58.075 56.100 0.006 0.000 0.960 299 R CB -0.502 29.965 30.300 0.277 0.000 0.856 299 R HN 0.639 nan 8.270 nan 0.000 0.436 300 Y N 0.550 120.371 120.300 -0.800 0.000 2.114 300 Y HA -0.198 4.352 4.550 -0.000 0.000 0.284 300 Y C 2.083 177.606 175.900 -0.628 0.000 1.143 300 Y CA 1.630 59.014 58.100 -1.195 0.000 1.135 300 Y CB -0.708 37.262 38.460 -0.817 0.000 0.980 300 Y HN 0.149 nan 8.280 nan 0.000 0.499 301 A N 0.630 123.114 122.820 -0.559 0.000 1.883 301 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 301 A C 2.351 179.616 177.584 -0.530 0.000 1.186 301 A CA 2.100 53.759 52.037 -0.629 0.000 0.624 301 A CB -1.299 17.560 19.000 -0.235 0.000 0.822 301 A HN 0.590 nan 8.150 nan 0.000 0.444 302 L N 0.425 121.442 121.223 -0.342 0.000 2.083 302 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 302 L C 2.993 179.683 176.870 -0.300 0.000 1.083 302 L CA 1.492 56.174 54.840 -0.262 0.000 0.752 302 L CB -0.466 41.526 42.059 -0.112 0.000 0.899 302 L HN 0.641 nan 8.230 nan 0.000 0.433 303 S N -0.410 115.077 115.700 -0.356 0.000 2.419 303 S HA -0.141 4.329 4.470 -0.000 0.000 0.233 303 S C 2.069 176.456 174.600 -0.354 0.000 1.016 303 S CA 0.617 58.642 58.200 -0.293 0.000 0.974 303 S CB -0.188 62.865 63.200 -0.245 0.000 0.786 303 S HN 0.355 nan 8.310 nan 0.000 0.492 304 R N 0.634 120.815 120.500 -0.531 0.000 2.140 304 R HA 0.368 4.708 4.340 -0.000 0.000 0.213 304 R C 2.136 178.178 176.300 -0.431 0.000 1.059 304 R CA 0.546 56.345 56.100 -0.502 0.000 1.000 304 R CB -0.728 29.155 30.300 -0.694 0.000 0.910 304 R HN 0.455 nan 8.270 nan 0.000 0.455 305 L N 0.771 121.686 121.223 -0.514 0.000 2.307 305 L HA 0.050 4.390 4.340 -0.000 0.000 0.211 305 L C 0.867 177.438 176.870 -0.499 0.000 1.099 305 L CA 0.360 54.798 54.840 -0.669 0.000 0.816 305 L CB -0.120 41.220 42.059 -1.199 0.000 0.952 305 L HN -0.016 nan 8.230 nan 0.000 0.455 306 Q N 0.871 120.506 119.800 -0.275 0.000 2.392 306 Q HA 0.345 4.685 4.340 -0.000 0.000 0.262 306 Q C 0.619 176.593 176.000 -0.044 0.000 1.003 306 Q CA 1.100 56.874 55.803 -0.048 0.000 0.888 306 Q CB 1.058 29.779 28.738 -0.029 0.000 1.260 306 Q HN 0.341 nan 8.270 nan 0.000 0.435 307 G N 1.741 110.555 108.800 0.025 0.000 2.378 307 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.198 307 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.198 307 G C -0.225 174.683 174.900 0.014 0.000 1.223 307 G CA -0.390 44.711 45.100 0.001 0.000 1.088 307 G HN 0.444 nan 8.290 nan 0.000 0.530 308 K N 0.322 120.718 120.400 -0.007 0.000 2.438 308 K HA 0.218 4.538 4.320 -0.000 0.000 0.206 308 K C 0.826 177.417 176.600 -0.015 0.000 1.081 308 K CA 0.019 56.304 56.287 -0.002 0.000 1.053 308 K CB 0.588 33.086 32.500 -0.005 0.000 0.908 308 K HN 0.536 nan 8.250 nan 0.000 0.556 309 Q N 2.375 122.154 119.800 -0.034 0.000 2.361 309 Q HA 0.101 4.441 4.340 -0.000 0.000 0.276 309 Q C -2.167 173.807 176.000 -0.042 0.000 1.022 309 Q CA -1.347 54.429 55.803 -0.045 0.000 0.898 309 Q CB -0.037 28.661 28.738 -0.067 0.000 1.246 309 Q HN 0.077 nan 8.270 nan 0.000 0.410 310 P HA 0.050 nan 4.420 nan 0.000 0.268 310 P C -0.581 176.690 177.300 -0.048 0.000 1.205 310 P CA 0.264 63.345 63.100 -0.031 0.000 0.771 310 P CB 0.500 32.184 31.700 -0.028 0.000 0.858 311 L N 2.831 124.029 121.223 -0.041 0.000 2.265 311 L HA 0.355 4.695 4.340 -0.000 0.000 0.289 311 L C 0.986 177.830 176.870 -0.043 0.000 1.033 311 L CA -0.340 54.465 54.840 -0.058 0.000 0.814 311 L CB 0.814 42.837 42.059 -0.061 0.000 1.203 311 L HN 0.304 nan 8.230 nan 0.000 0.423 312 E N 1.147 121.314 120.200 -0.054 0.000 2.232 312 E HA 0.416 4.766 4.350 -0.000 0.000 0.265 312 E C 0.560 177.128 176.600 -0.053 0.000 1.001 312 E CA -0.404 55.966 56.400 -0.049 0.000 0.870 312 E CB 1.868 31.535 29.700 -0.055 0.000 1.175 312 E HN 0.672 nan 8.360 nan 0.000 0.407 313 A N 1.808 124.597 122.820 -0.051 0.000 1.940 313 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 313 A C 1.967 179.510 177.584 -0.067 0.000 1.176 313 A CA 1.839 53.845 52.037 -0.052 0.000 0.631 313 A CB -0.360 18.605 19.000 -0.058 0.000 0.814 313 A HN 0.622 nan 8.150 nan 0.000 0.446 314 K N -0.791 119.558 120.400 -0.085 0.000 2.063 314 K HA -0.166 4.154 4.320 -0.000 0.000 0.208 314 K C 2.021 178.551 176.600 -0.117 0.000 1.048 314 K CA 1.929 58.146 56.287 -0.115 0.000 0.928 314 K CB -0.352 32.086 32.500 -0.104 0.000 0.713 314 K HN 0.532 nan 8.250 nan 0.000 0.442 315 T N 2.001 116.497 114.554 -0.097 0.000 2.684 315 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 315 T C 1.838 176.482 174.700 -0.094 0.000 1.036 315 T CA 1.565 63.603 62.100 -0.104 0.000 1.148 315 T CB -0.210 68.593 68.868 -0.109 0.000 0.863 315 T HN 0.176 nan 8.240 nan 0.000 0.436 316 L N 0.655 121.841 121.223 -0.063 0.000 2.056 316 L HA -0.036 4.304 4.340 -0.000 0.000 0.207 316 L C 2.842 179.741 176.870 0.048 0.000 1.078 316 L CA 1.440 56.277 54.840 -0.004 0.000 0.749 316 L CB -0.665 41.411 42.059 0.028 0.000 0.901 316 L HN 0.359 nan 8.230 nan 0.000 0.433 317 E N 1.013 121.193 120.200 -0.033 0.000 2.058 317 E HA -0.263 4.087 4.350 -0.000 0.000 0.194 317 E C 1.907 178.365 176.600 -0.238 0.000 0.997 317 E CA 1.586 57.848 56.400 -0.231 0.000 0.801 317 E CB 0.037 29.419 29.700 -0.530 0.000 0.746 317 E HN 0.498 nan 8.360 nan 0.000 0.450 318 E N -0.268 119.825 120.200 -0.179 0.000 2.347 318 E HA -0.126 4.223 4.350 -0.000 0.000 0.196 318 E C 2.039 178.629 176.600 -0.017 0.000 1.008 318 E CA 0.648 56.969 56.400 -0.132 0.000 0.852 318 E CB -0.021 29.599 29.700 -0.132 0.000 0.783 318 E HN 0.423 nan 8.360 nan 0.000 0.505 319 M N 0.082 119.700 119.600 0.031 0.000 2.229 319 M HA -0.144 4.336 4.480 -0.000 0.000 0.264 319 M C 2.149 178.619 176.300 0.284 0.000 1.063 319 M CA 1.018 56.393 55.300 0.126 0.000 1.114 319 M CB 0.101 32.685 32.600 -0.027 0.000 1.387 319 M HN 0.024 nan 8.290 nan 0.000 0.420 320 V N -0.416 119.696 119.914 0.330 0.000 2.302 320 V HA -0.179 3.940 4.120 -0.000 0.000 0.243 320 V C 2.479 178.721 176.094 0.247 0.000 1.036 320 V CA 2.213 64.763 62.300 0.416 0.000 1.020 320 V CB -1.252 30.921 31.823 0.583 0.000 0.657 320 V HN 0.573 nan 8.190 nan 0.000 0.453 321 T N -1.197 113.416 114.554 0.099 0.000 3.085 321 T HA 0.085 4.435 4.350 -0.000 0.000 0.263 321 T C 1.745 176.437 174.700 -0.015 0.000 1.127 321 T CA 0.991 63.091 62.100 -0.001 0.000 1.103 321 T CB -0.164 68.592 68.868 -0.186 0.000 0.921 321 T HN 0.406 nan 8.240 nan 0.000 0.510 322 A N 2.374 125.197 122.820 0.005 0.000 2.019 322 A HA -0.023 4.297 4.320 -0.000 0.000 0.219 322 A C 1.355 178.938 177.584 -0.002 0.000 1.164 322 A CA 0.849 52.883 52.037 -0.005 0.000 0.644 322 A CB -0.683 18.324 19.000 0.010 0.000 0.805 322 A HN 0.615 nan 8.150 nan 0.000 0.449 323 N N -0.458 118.254 118.700 0.019 0.000 2.710 323 N HA -0.221 4.519 4.740 -0.000 0.000 0.249 323 N C -0.170 175.283 175.510 -0.096 0.000 1.059 323 N CA 1.244 54.288 53.050 -0.011 0.000 0.720 323 N CB -1.812 36.676 38.487 0.001 0.000 0.983 323 N HN 0.843 nan 8.380 nan 0.000 0.544 324 H N -0.042 118.904 119.070 -0.207 0.000 2.848 324 H HA 0.281 4.837 4.556 -0.000 0.000 0.317 324 H C -0.021 175.166 175.328 -0.236 0.000 1.046 324 H CA 0.081 55.975 56.048 -0.256 0.000 1.470 324 H CB 0.675 30.297 29.762 -0.234 0.000 1.483 324 H HN -0.032 nan 8.280 nan 0.000 0.548 325 V N 8.977 128.418 119.914 -0.787 0.000 2.223 325 V HA -0.067 4.053 4.120 -0.000 0.000 0.249 325 V C 1.116 176.903 176.094 -0.511 0.000 1.233 325 V CA 0.069 62.083 62.300 -0.477 0.000 1.131 325 V CB -1.268 30.330 31.823 -0.374 0.000 1.298 325 V HN 0.803 nan 8.190 nan 0.000 0.498 326 F N 3.154 122.889 119.950 -0.359 0.000 2.269 326 F HA -0.144 4.382 4.527 -0.001 0.000 0.301 326 F C 2.327 178.180 175.800 0.088 0.000 1.082 326 F CA 1.796 59.740 58.000 -0.095 0.000 1.360 326 F CB 0.173 39.260 39.000 0.144 0.000 1.041 326 F HN 0.446 nan 8.300 nan 0.000 0.512 327 S N 0.301 116.110 115.700 0.182 0.000 2.419 327 S HA -0.171 4.299 4.470 -0.000 0.000 0.235 327 S C 2.321 177.096 174.600 0.291 0.000 1.019 327 S CA 0.831 59.213 58.200 0.304 0.000 0.982 327 S CB -0.705 62.866 63.200 0.619 0.000 0.789 327 S HN 0.532 nan 8.310 nan 0.000 0.490 328 A N 1.978 124.790 122.820 -0.014 0.000 1.972 328 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 328 A C 1.680 179.172 177.584 -0.155 0.000 1.169 328 A CA 1.587 53.450 52.037 -0.291 0.000 0.635 328 A CB -0.492 18.026 19.000 -0.803 0.000 0.810 328 A HN 0.344 nan 8.150 nan 0.000 0.446 329 D N -0.672 119.583 120.400 -0.242 0.000 2.310 329 D HA -0.067 4.573 4.640 -0.000 0.000 0.212 329 D C 1.847 178.073 176.300 -0.123 0.000 0.965 329 D CA 1.066 54.942 54.000 -0.206 0.000 0.879 329 D CB -0.167 40.465 40.800 -0.281 0.000 0.921 329 D HN 0.523 nan 8.370 nan 0.000 0.510 330 Q N -0.525 119.242 119.800 -0.054 0.000 2.331 330 Q HA 0.009 4.349 4.340 -0.000 0.000 0.203 330 Q C 2.018 178.166 176.000 0.245 0.000 0.944 330 Q CA 0.430 56.301 55.803 0.114 0.000 0.892 330 Q CB 0.578 29.437 28.738 0.201 0.000 0.983 330 Q HN 0.353 nan 8.270 nan 0.000 0.482 331 V N -4.708 115.319 119.914 0.188 0.000 3.408 331 V HA 0.182 4.302 4.120 -0.000 0.000 0.263 331 V C 1.453 177.575 176.094 0.046 0.000 1.503 331 V CA -0.130 62.240 62.300 0.116 0.000 1.046 331 V CB -0.237 31.584 31.823 -0.004 0.000 0.851 331 V HN 0.156 nan 8.190 nan 0.000 0.435 332 L N 1.616 122.872 121.223 0.055 0.000 2.093 332 L HA 0.206 4.545 4.340 -0.000 0.000 0.208 332 L C -0.175 176.675 176.870 -0.032 0.000 1.085 332 L CA 2.353 57.195 54.840 0.004 0.000 0.755 332 L CB -1.416 40.613 42.059 -0.050 0.000 0.904 332 L HN 0.238 nan 8.230 nan 0.000 0.435 333 P HA -0.132 nan 4.420 nan 0.000 0.215 333 P C 0.927 178.215 177.300 -0.019 0.000 1.153 333 P CA 1.578 64.664 63.100 -0.023 0.000 0.853 333 P CB -0.024 31.669 31.700 -0.010 0.000 0.788 334 D N -1.265 119.130 120.400 -0.008 0.000 2.149 334 D HA -0.075 4.565 4.640 -0.000 0.000 0.201 334 D C 1.878 178.147 176.300 -0.051 0.000 0.972 334 D CA 0.684 54.679 54.000 -0.008 0.000 0.835 334 D CB -0.675 40.143 40.800 0.029 0.000 0.966 334 D HN 0.019 nan 8.370 nan 0.000 0.476 335 L N 0.874 122.035 121.223 -0.102 0.000 2.046 335 L HA -0.100 4.239 4.340 -0.000 0.000 0.208 335 L C 2.237 179.027 176.870 -0.134 0.000 1.077 335 L CA 1.264 55.989 54.840 -0.191 0.000 0.747 335 L CB -0.517 41.347 42.059 -0.325 0.000 0.896 335 L HN 0.009 nan 8.230 nan 0.000 0.432 336 L N -1.058 120.112 121.223 -0.088 0.000 2.093 336 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 336 L C 2.720 179.559 176.870 -0.052 0.000 1.085 336 L CA 1.364 56.165 54.840 -0.066 0.000 0.755 336 L CB -0.555 41.475 42.059 -0.048 0.000 0.904 336 L HN 0.313 nan 8.230 nan 0.000 0.435 337 R N 0.433 120.909 120.500 -0.041 0.000 2.081 337 R HA -0.181 4.158 4.340 -0.000 0.000 0.235 337 R C 2.391 178.673 176.300 -0.029 0.000 1.131 337 R CA 1.211 57.295 56.100 -0.027 0.000 0.960 337 R CB -0.228 30.064 30.300 -0.013 0.000 0.856 337 R HN 0.266 nan 8.270 nan 0.000 0.436 338 L N 0.940 122.140 121.223 -0.038 0.000 2.012 338 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 338 L C 2.153 178.997 176.870 -0.043 0.000 1.073 338 L CA 1.898 56.717 54.840 -0.035 0.000 0.748 338 L CB -1.077 40.954 42.059 -0.046 0.000 0.891 338 L HN 0.480 nan 8.230 nan 0.000 0.431 339 c N 0.327 118.888 118.600 -0.063 0.000 2.393 339 c HA -0.206 4.363 4.570 -0.000 0.000 0.276 339 c C 2.862 176.925 174.090 -0.045 0.000 1.215 339 c CA 1.076 57.367 56.329 -0.064 0.000 1.743 339 c CB -0.950 41.511 42.510 -0.081 0.000 2.044 339 c HN 0.504 nan 8.230 nan 0.000 0.464 340 R N 0.425 120.902 120.500 -0.038 0.000 2.120 340 R HA -0.106 4.234 4.340 -0.000 0.000 0.234 340 R C 1.459 177.747 176.300 -0.021 0.000 1.123 340 R CA 1.344 57.427 56.100 -0.029 0.000 0.975 340 R CB -0.461 29.824 30.300 -0.025 0.000 0.866 340 R HN 0.564 nan 8.270 nan 0.000 0.446 341 D N 0.250 120.638 120.400 -0.019 0.000 2.350 341 D HA -0.058 4.581 4.640 -0.000 0.000 0.216 341 D C 0.367 176.660 176.300 -0.012 0.000 0.968 341 D CA 0.938 54.931 54.000 -0.012 0.000 0.894 341 D CB 0.000 40.796 40.800 -0.007 0.000 0.909 341 D HN 0.175 nan 8.370 nan 0.000 0.520 342 N N 0.353 119.043 118.700 -0.018 0.000 2.571 342 N HA 0.072 4.812 4.740 -0.000 0.000 0.298 342 N C 0.612 176.109 175.510 -0.020 0.000 1.671 342 N CA 0.000 53.041 53.050 -0.016 0.000 0.900 342 N CB 0.922 39.399 38.487 -0.016 0.000 1.365 342 N HN 0.163 nan 8.380 nan 0.000 0.493 343 Q N -0.382 119.406 119.800 -0.020 0.000 2.364 343 Q HA 0.005 4.345 4.340 -0.000 0.000 0.207 343 Q C 1.647 177.637 176.000 -0.017 0.000 0.970 343 Q CA 0.940 56.730 55.803 -0.021 0.000 0.888 343 Q CB 0.142 28.868 28.738 -0.019 0.000 0.951 343 Q HN 0.263 nan 8.270 nan 0.000 0.469 344 G N 0.369 109.161 108.800 -0.013 0.000 3.314 344 G HA2 0.006 3.966 3.960 -0.000 0.000 0.238 344 G HA3 0.006 3.966 3.960 -0.000 0.000 0.238 344 G C -0.317 174.578 174.900 -0.009 0.000 1.184 344 G CA -0.237 44.857 45.100 -0.010 0.000 0.806 344 G HN 0.014 nan 8.290 nan 0.000 0.536 345 E N 0.398 120.590 120.200 -0.012 0.000 2.121 345 E HA 0.395 4.745 4.350 -0.000 0.000 0.255 345 E C 1.230 177.823 176.600 -0.012 0.000 0.906 345 E CA -0.428 55.966 56.400 -0.009 0.000 0.745 345 E CB 0.744 30.439 29.700 -0.009 0.000 1.155 345 E HN 0.081 nan 8.360 nan 0.000 0.424 346 K N 0.864 121.259 120.400 -0.008 0.000 2.152 346 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 346 K C 1.626 178.223 176.600 -0.005 0.000 1.048 346 K CA 1.546 57.829 56.287 -0.007 0.000 0.933 346 K CB 0.008 32.506 32.500 -0.003 0.000 0.721 346 K HN 0.475 nan 8.250 nan 0.000 0.447 347 S N 0.199 115.899 115.700 0.000 0.000 2.547 347 S HA -0.060 4.410 4.470 -0.000 0.000 0.235 347 S C 1.463 176.066 174.600 0.004 0.000 0.980 347 S CA 0.787 58.992 58.200 0.008 0.000 0.941 347 S CB 0.009 63.217 63.200 0.013 0.000 0.763 347 S HN 0.072 nan 8.310 nan 0.000 0.532 348 L N 0.154 121.368 121.223 -0.015 0.000 2.701 348 L HA 0.565 4.905 4.340 -0.000 0.000 0.238 348 L C 2.405 179.230 176.870 -0.075 0.000 1.106 348 L CA 0.468 55.284 54.840 -0.039 0.000 0.898 348 L CB -0.771 41.265 42.059 -0.038 0.000 1.188 348 L HN 0.292 nan 8.230 nan 0.000 0.508 349 A N 0.194 122.981 122.820 -0.057 0.000 1.873 349 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 349 A C 2.456 179.978 177.584 -0.103 0.000 1.193 349 A CA 1.935 53.933 52.037 -0.065 0.000 0.629 349 A CB -0.396 18.581 19.000 -0.038 0.000 0.826 349 A HN 0.333 nan 8.150 nan 0.000 0.447 350 R N -0.827 119.613 120.500 -0.100 0.000 2.081 350 R HA -0.060 4.280 4.340 -0.000 0.000 0.235 350 R C 2.531 178.583 176.300 -0.414 0.000 1.131 350 R CA 1.190 57.204 56.100 -0.143 0.000 0.960 350 R CB -0.468 29.821 30.300 -0.019 0.000 0.856 350 R HN 0.538 nan 8.270 nan 0.000 0.436 351 A N 0.531 123.035 122.820 -0.527 0.000 1.877 351 A HA -0.196 4.123 4.320 -0.000 0.000 0.216 351 A C 2.400 179.660 177.584 -0.540 0.000 1.186 351 A CA 1.543 53.022 52.037 -0.930 0.000 0.620 351 A CB -0.877 17.867 19.000 -0.426 0.000 0.822 351 A HN 0.460 nan 8.150 nan 0.000 0.443 352 c N -1.111 117.313 118.600 -0.293 0.000 2.446 352 c HA 0.091 4.660 4.570 -0.000 0.000 0.277 352 c C 3.337 177.333 174.090 -0.155 0.000 1.275 352 c CA 0.699 56.916 56.329 -0.187 0.000 1.727 352 c CB -1.340 41.095 42.510 -0.125 0.000 2.010 352 c HN 0.703 nan 8.230 nan 0.000 0.486 353 A N 0.568 123.296 122.820 -0.155 0.000 1.902 353 A HA 0.023 4.342 4.320 -0.000 0.000 0.217 353 A C 2.352 179.878 177.584 -0.097 0.000 1.181 353 A CA 2.154 54.129 52.037 -0.103 0.000 0.623 353 A CB -0.869 18.082 19.000 -0.082 0.000 0.818 353 A HN 0.580 nan 8.150 nan 0.000 0.443 354 A N -0.459 122.250 122.820 -0.186 0.000 1.898 354 A HA 0.013 4.332 4.320 -0.000 0.000 0.216 354 A C 2.167 179.733 177.584 -0.030 0.000 1.181 354 A CA 1.426 53.390 52.037 -0.121 0.000 0.620 354 A CB -0.541 18.321 19.000 -0.230 0.000 0.819 354 A HN 0.462 nan 8.150 nan 0.000 0.442 355 L N -0.857 120.317 121.223 -0.082 0.000 2.093 355 L HA -0.152 4.187 4.340 -0.000 0.000 0.208 355 L C 3.068 180.000 176.870 0.103 0.000 1.085 355 L CA 0.961 55.834 54.840 0.056 0.000 0.755 355 L CB -0.447 41.600 42.059 -0.019 0.000 0.904 355 L HN 0.431 nan 8.230 nan 0.000 0.435 356 A N -0.525 122.307 122.820 0.020 0.000 1.930 356 A HA -0.229 4.090 4.320 -0.000 0.000 0.217 356 A C 2.175 179.781 177.584 0.037 0.000 1.175 356 A CA 1.427 53.471 52.037 0.012 0.000 0.627 356 A CB -0.362 18.626 19.000 -0.019 0.000 0.815 356 A HN 0.473 nan 8.150 nan 0.000 0.443 357 Q N -2.309 117.528 119.800 0.061 0.000 2.378 357 Q HA -0.065 4.275 4.340 -0.000 0.000 0.205 357 Q C 0.352 176.436 176.000 0.140 0.000 0.954 357 Q CA 0.025 55.872 55.803 0.074 0.000 0.901 357 Q CB -0.003 28.774 28.738 0.064 0.000 0.981 357 Q HN 0.751 nan 8.270 nan 0.000 0.483 358 W N 3.425 124.698 121.300 -0.045 0.000 2.210 358 W HA -0.026 4.634 4.660 -0.000 0.000 0.330 358 W C 0.342 176.816 176.519 -0.075 0.000 1.334 358 W CA -0.423 56.892 57.345 -0.050 0.000 1.227 358 W CB 0.589 30.014 29.460 -0.057 0.000 1.178 358 W HN 0.151 nan 8.180 nan 0.000 0.560 359 D N 4.153 124.410 120.400 -0.238 0.000 2.352 359 D HA -0.113 4.527 4.640 -0.000 0.000 0.232 359 D C 0.691 176.519 176.300 -0.787 0.000 1.055 359 D CA 0.208 53.972 54.000 -0.394 0.000 0.891 359 D CB -0.274 40.427 40.800 -0.165 0.000 0.897 359 D HN 0.676 nan 8.370 nan 0.000 0.529 360 R N -1.693 117.712 120.500 -1.824 0.000 3.875 360 R HA -0.099 4.241 4.340 -0.000 0.000 0.321 360 R C 0.601 176.190 176.300 -1.186 0.000 1.196 360 R CA 0.729 55.614 56.100 -2.026 0.000 0.868 360 R CB -2.020 27.660 30.300 -1.033 0.000 1.333 360 R HN 0.433 nan 8.270 nan 0.000 0.522 361 G N -1.265 107.073 108.800 -0.771 0.000 2.568 361 G HA2 0.702 4.662 3.960 -0.000 0.000 0.313 361 G HA3 0.702 4.662 3.960 -0.000 0.000 0.313 361 G C -0.244 174.415 174.900 -0.403 0.000 1.227 361 G CA -0.008 44.863 45.100 -0.382 0.000 0.979 361 G HN 0.186 nan 8.290 nan 0.000 0.486 362 A N 0.685 123.227 122.820 -0.463 0.000 2.793 362 A HA 0.387 4.707 4.320 -0.000 0.000 0.301 362 A C 0.549 178.169 177.584 0.061 0.000 1.172 362 A CA -0.632 51.087 52.037 -0.530 0.000 0.973 362 A CB -0.489 18.177 19.000 -0.556 0.000 1.164 362 A HN 0.493 nan 8.150 nan 0.000 0.542 363 N N 0.067 118.820 118.700 0.088 0.000 2.424 363 N HA 0.210 4.950 4.740 -0.000 0.000 0.257 363 N C 1.293 176.986 175.510 0.306 0.000 1.250 363 N CA -0.362 52.788 53.050 0.166 0.000 0.946 363 N CB 0.701 39.237 38.487 0.081 0.000 1.175 363 N HN 0.270 nan 8.380 nan 0.000 0.477 364 L N 0.219 121.571 121.223 0.216 0.000 2.051 364 L HA -0.211 4.129 4.340 -0.000 0.000 0.214 364 L C 0.926 177.913 176.870 0.195 0.000 1.076 364 L CA 1.498 56.451 54.840 0.188 0.000 0.758 364 L CB -0.275 41.842 42.059 0.097 0.000 0.890 364 L HN 0.429 nan 8.230 nan 0.000 0.433 365 D N -0.698 119.797 120.400 0.158 0.000 2.339 365 D HA 0.038 4.678 4.640 -0.000 0.000 0.217 365 D C 0.724 177.129 176.300 0.176 0.000 1.050 365 D CA 0.178 54.262 54.000 0.140 0.000 0.856 365 D CB 0.231 41.085 40.800 0.089 0.000 0.922 365 D HN 0.071 nan 8.370 nan 0.000 0.518 366 S N 0.437 116.275 115.700 0.230 0.000 2.549 366 S HA 0.354 4.824 4.470 -0.000 0.000 0.286 366 S C 0.918 175.698 174.600 0.300 0.000 1.314 366 S CA -0.313 58.054 58.200 0.279 0.000 1.062 366 S CB 1.208 64.582 63.200 0.290 0.000 0.865 366 S HN 0.243 nan 8.310 nan 0.000 0.498 367 G N 1.275 110.252 108.800 0.295 0.000 2.621 367 G HA2 0.272 4.232 3.960 -0.000 0.000 0.271 367 G HA3 0.272 4.232 3.960 -0.000 0.000 0.271 367 G C 1.107 176.074 174.900 0.112 0.000 1.236 367 G CA -0.113 45.106 45.100 0.200 0.000 0.958 367 G HN 0.790 nan 8.290 nan 0.000 0.512 368 S N -1.067 114.695 115.700 0.103 0.000 2.469 368 S HA -0.058 4.411 4.470 -0.000 0.000 0.238 368 S C 2.387 176.999 174.600 0.021 0.000 0.998 368 S CA 1.317 59.568 58.200 0.084 0.000 0.957 368 S CB -0.602 62.694 63.200 0.160 0.000 0.764 368 S HN 0.992 nan 8.310 nan 0.000 0.514 369 G N 1.377 110.118 108.800 -0.099 0.000 2.547 369 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.221 369 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.221 369 G C 1.086 175.419 174.900 -0.944 0.000 1.140 369 G CA 1.110 46.001 45.100 -0.347 0.000 0.760 369 G HN 0.546 nan 8.290 nan 0.000 0.583 370 F N 1.446 120.421 119.950 -1.625 0.000 2.126 370 F HA -0.084 4.443 4.527 -0.000 0.000 0.299 370 F C 2.702 178.056 175.800 -0.744 0.000 1.096 370 F CA 1.080 58.186 58.000 -1.489 0.000 1.255 370 F CB -0.589 37.813 39.000 -0.997 0.000 0.997 370 F HN 0.039 nan 8.300 nan 0.000 0.479 371 V N -0.641 118.945 119.914 -0.546 0.000 2.307 371 V HA -0.328 3.792 4.120 -0.000 0.000 0.245 371 V C 2.205 178.059 176.094 -0.401 0.000 1.045 371 V CA 2.065 64.078 62.300 -0.478 0.000 1.024 371 V CB -1.148 30.507 31.823 -0.281 0.000 0.651 371 V HN 0.308 nan 8.190 nan 0.000 0.449 372 Y N -0.840 119.294 120.300 -0.277 0.000 2.165 372 Y HA -0.266 4.284 4.550 -0.000 0.000 0.286 372 Y C 2.290 178.100 175.900 -0.150 0.000 1.155 372 Y CA 2.289 60.283 58.100 -0.177 0.000 1.164 372 Y CB -0.673 37.706 38.460 -0.136 0.000 0.978 372 Y HN 0.258 nan 8.280 nan 0.000 0.513 373 F N 0.982 120.789 119.950 -0.240 0.000 2.095 373 F HA -0.283 4.244 4.527 -0.000 0.000 0.298 373 F C 2.233 177.892 175.800 -0.235 0.000 1.104 373 F CA 1.807 59.685 58.000 -0.203 0.000 1.232 373 F CB -0.600 38.194 39.000 -0.345 0.000 0.987 373 F HN 0.064 nan 8.300 nan 0.000 0.475 374 Q N -0.206 119.248 119.800 -0.577 0.000 2.061 374 Q HA -0.207 4.133 4.340 -0.000 0.000 0.204 374 Q C 2.275 178.048 176.000 -0.379 0.000 0.984 374 Q CA 1.615 56.916 55.803 -0.835 0.000 0.846 374 Q CB -0.261 27.904 28.738 -0.955 0.000 0.902 374 Q HN 0.283 nan 8.270 nan 0.000 0.421 375 R N -0.010 120.336 120.500 -0.256 0.000 2.115 375 R HA -0.108 4.232 4.340 -0.000 0.000 0.230 375 R C 2.013 178.264 176.300 -0.082 0.000 1.111 375 R CA 0.937 56.955 56.100 -0.135 0.000 0.976 375 R CB -0.814 29.412 30.300 -0.123 0.000 0.870 375 R HN 0.308 nan 8.270 nan 0.000 0.445 376 F N 1.261 121.094 119.950 -0.195 0.000 2.113 376 F HA -0.145 4.382 4.527 -0.000 0.000 0.297 376 F C 2.130 177.834 175.800 -0.160 0.000 1.103 376 F CA 1.329 59.235 58.000 -0.157 0.000 1.248 376 F CB -0.123 38.781 39.000 -0.160 0.000 0.999 376 F HN -0.179 nan 8.300 nan 0.000 0.475 377 M N 0.371 119.749 119.600 -0.369 0.000 2.213 377 M HA -0.220 4.260 4.480 -0.000 0.000 0.263 377 M C 2.126 178.347 176.300 -0.132 0.000 1.062 377 M CA 1.518 56.642 55.300 -0.293 0.000 1.105 377 M CB -1.432 31.044 32.600 -0.208 0.000 1.385 377 M HN 0.338 nan 8.290 nan 0.000 0.417 378 Q N -0.519 119.228 119.800 -0.089 0.000 2.135 378 Q HA -0.174 4.165 4.340 -0.000 0.000 0.204 378 Q C 2.160 178.075 176.000 -0.142 0.000 0.981 378 Q CA 1.546 57.307 55.803 -0.071 0.000 0.856 378 Q CB -0.096 28.614 28.738 -0.047 0.000 0.902 378 Q HN 0.502 nan 8.270 nan 0.000 0.425 379 R N -0.935 119.433 120.500 -0.220 0.000 2.100 379 R HA -0.030 4.310 4.340 -0.000 0.000 0.220 379 R C 1.962 178.086 176.300 -0.293 0.000 1.091 379 R CA 0.744 56.703 56.100 -0.234 0.000 0.986 379 R CB -0.215 29.956 30.300 -0.216 0.000 0.888 379 R HN 0.167 nan 8.270 nan 0.000 0.444 380 F N 1.847 121.409 119.950 -0.646 0.000 2.126 380 F HA -0.157 4.370 4.527 -0.001 0.000 0.299 380 F C 2.121 177.693 175.800 -0.379 0.000 1.096 380 F CA 1.351 58.976 58.000 -0.625 0.000 1.255 380 F CB -0.314 38.171 39.000 -0.858 0.000 0.997 380 F HN -0.005 nan 8.300 nan 0.000 0.479 381 A N -0.416 122.252 122.820 -0.252 0.000 2.131 381 A HA -0.180 4.139 4.320 -0.000 0.000 0.220 381 A C 1.935 179.380 177.584 -0.232 0.000 1.158 381 A CA 1.836 53.747 52.037 -0.211 0.000 0.665 381 A CB -0.730 18.226 19.000 -0.072 0.000 0.795 381 A HN 0.625 nan 8.150 nan 0.000 0.460 382 E N -0.840 119.211 120.200 -0.248 0.000 2.460 382 E HA 0.219 4.569 4.350 -0.000 0.000 0.200 382 E C -0.294 176.177 176.600 -0.216 0.000 1.011 382 E CA -0.377 55.909 56.400 -0.190 0.000 0.912 382 E CB 0.143 29.755 29.700 -0.147 0.000 0.953 382 E HN 0.554 nan 8.360 nan 0.000 0.494 383 L N 2.135 123.163 121.223 -0.324 0.000 2.397 383 L HA 0.161 4.501 4.340 -0.000 0.000 0.271 383 L C 0.149 176.845 176.870 -0.290 0.000 1.148 383 L CA -0.363 54.295 54.840 -0.304 0.000 0.825 383 L CB 0.497 42.330 42.059 -0.377 0.000 1.117 383 L HN -0.094 nan 8.230 nan 0.000 0.456 384 D N 2.026 122.317 120.400 -0.181 0.000 2.249 384 D HA 0.233 4.873 4.640 -0.000 0.000 0.246 384 D C 0.875 177.109 176.300 -0.110 0.000 1.114 384 D CA 0.327 54.253 54.000 -0.123 0.000 0.854 384 D CB 1.706 42.466 40.800 -0.067 0.000 1.132 384 D HN 0.805 nan 8.370 nan 0.000 0.461 385 G N 2.098 110.854 108.800 -0.074 0.000 2.323 385 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.292 385 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.292 385 G C 0.860 175.744 174.900 -0.026 0.000 1.040 385 G CA 0.407 45.506 45.100 -0.002 0.000 0.942 385 G HN 0.630 nan 8.290 nan 0.000 0.506 386 A N -1.147 121.570 122.820 -0.171 0.000 2.267 386 A HA 0.451 4.771 4.320 -0.000 0.000 0.213 386 A C 0.926 178.524 177.584 0.024 0.000 1.192 386 A CA -0.014 51.932 52.037 -0.151 0.000 0.851 386 A CB 0.032 18.797 19.000 -0.392 0.000 0.881 386 A HN 0.591 nan 8.150 nan 0.000 0.494 387 W N 1.035 122.409 121.300 0.123 0.000 2.253 387 W HA 0.229 4.888 4.660 -0.000 0.000 0.322 387 W C 1.496 178.103 176.519 0.146 0.000 1.342 387 W CA -0.391 57.072 57.345 0.195 0.000 1.218 387 W CB 0.846 30.405 29.460 0.165 0.000 1.205 387 W HN 0.200 nan 8.180 nan 0.000 0.551 388 K N 1.891 122.558 120.400 0.446 0.000 2.002 388 K HA -0.155 4.165 4.320 -0.000 0.000 0.209 388 K C -0.246 176.485 176.600 0.219 0.000 1.048 388 K CA 1.317 57.764 56.287 0.267 0.000 0.930 388 K CB 0.097 32.728 32.500 0.219 0.000 0.714 388 K HN 0.487 nan 8.250 nan 0.000 0.438 389 E N 2.301 122.632 120.200 0.218 0.000 2.102 389 E HA 0.258 4.607 4.350 -0.000 0.000 0.263 389 E C -2.432 174.223 176.600 0.092 0.000 0.894 389 E CA -2.495 53.975 56.400 0.118 0.000 0.746 389 E CB 1.823 31.554 29.700 0.051 0.000 1.129 389 E HN 0.264 nan 8.360 nan 0.000 0.416 390 P HA -0.046 nan 4.420 nan 0.000 0.274 390 P C -0.213 177.092 177.300 0.008 0.000 1.260 390 P CA -0.489 62.668 63.100 0.096 0.000 0.793 390 P CB 0.538 32.342 31.700 0.173 0.000 1.048 391 F N 1.173 121.063 119.950 -0.100 0.000 2.602 391 F HA 0.053 4.579 4.527 -0.000 0.000 0.385 391 F C 0.313 176.118 175.800 0.009 0.000 1.063 391 F CA 0.560 58.525 58.000 -0.059 0.000 1.233 391 F CB -0.226 38.764 39.000 -0.016 0.000 1.067 391 F HN 0.099 nan 8.300 nan 0.000 0.564 392 D N 5.081 124.960 120.400 -0.867 0.000 2.425 392 D HA 0.388 5.028 4.640 -0.000 0.000 0.240 392 D C 0.529 176.243 176.300 -0.976 0.000 1.080 392 D CA -0.031 53.580 54.000 -0.648 0.000 0.836 392 D CB 1.839 42.454 40.800 -0.309 0.000 1.125 392 D HN 0.683 nan 8.370 nan 0.000 0.525 393 A N 4.008 126.452 122.820 -0.627 0.000 2.019 393 A HA -0.174 4.145 4.320 -0.000 0.000 0.219 393 A C 1.725 179.291 177.584 -0.029 0.000 1.164 393 A CA 1.184 53.108 52.037 -0.188 0.000 0.644 393 A CB -0.196 18.876 19.000 0.120 0.000 0.805 393 A HN 0.615 nan 8.150 nan 0.000 0.449 394 Q N -0.494 119.252 119.800 -0.090 0.000 2.297 394 Q HA -0.015 4.324 4.340 -0.000 0.000 0.204 394 Q C 0.381 176.340 176.000 -0.067 0.000 0.962 394 Q CA 0.741 56.522 55.803 -0.038 0.000 0.879 394 Q CB 0.033 28.749 28.738 -0.037 0.000 0.947 394 Q HN 0.650 nan 8.270 nan 0.000 0.462 395 R N 1.098 121.510 120.500 -0.145 0.000 2.886 395 R HA 0.182 4.522 4.340 -0.000 0.000 0.306 395 R C -1.905 174.308 176.300 -0.146 0.000 1.300 395 R CA -1.089 54.937 56.100 -0.123 0.000 1.441 395 R CB 0.713 30.948 30.300 -0.107 0.000 1.328 395 R HN 0.008 nan 8.270 nan 0.000 0.629 396 P HA -0.071 nan 4.420 nan 0.000 0.237 396 P C 0.548 177.898 177.300 0.084 0.000 1.178 396 P CA 0.672 63.796 63.100 0.040 0.000 0.766 396 P CB 0.429 32.145 31.700 0.027 0.000 0.876 397 L N -0.483 120.745 121.223 0.008 0.000 2.609 397 L HA 0.209 4.549 4.340 -0.000 0.000 0.230 397 L C 1.416 178.328 176.870 0.070 0.000 1.087 397 L CA 1.338 56.197 54.840 0.031 0.000 0.874 397 L CB -0.357 41.694 42.059 -0.014 0.000 1.114 397 L HN -0.142 nan 8.230 nan 0.000 0.488 398 D N -1.299 119.123 120.400 0.037 0.000 2.500 398 D HA 0.156 4.795 4.640 -0.000 0.000 0.217 398 D C 0.358 176.657 176.300 -0.001 0.000 1.159 398 D CA 0.421 54.441 54.000 0.033 0.000 0.828 398 D CB 1.302 42.107 40.800 0.009 0.000 1.039 398 D HN 0.274 nan 8.370 nan 0.000 0.512 399 T N -1.081 113.466 114.554 -0.012 0.000 2.909 399 T HA 0.510 4.860 4.350 -0.000 0.000 0.299 399 T C -3.049 171.651 174.700 -0.000 0.000 1.073 399 T CA -1.820 60.238 62.100 -0.071 0.000 0.999 399 T CB 3.063 71.851 68.868 -0.133 0.000 1.098 399 T HN -0.302 nan 8.240 nan 0.000 0.477 400 P HA 0.433 nan 4.420 nan 0.000 0.274 400 P C -1.066 175.919 177.300 -0.525 0.000 1.246 400 P CA -0.288 62.446 63.100 -0.609 0.000 0.795 400 P CB 0.732 31.455 31.700 -1.629 0.000 1.006 401 Q N 0.046 119.688 119.800 -0.263 0.000 2.320 401 Q HA 0.548 4.888 4.340 -0.000 0.000 0.272 401 Q C -0.737 175.428 176.000 0.274 0.000 1.023 401 Q CA 0.182 55.994 55.803 0.014 0.000 0.855 401 Q CB 1.407 30.153 28.738 0.014 0.000 1.367 401 Q HN 0.929 nan 8.270 nan 0.000 0.406 402 G N 2.203 111.233 108.800 0.383 0.000 2.787 402 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.685 402 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.685 402 G C -0.921 174.251 174.900 0.455 0.000 1.437 402 G CA -0.351 44.951 45.100 0.337 0.000 0.872 402 G HN 0.708 nan 8.290 nan 0.000 0.566 403 I N 0.848 121.583 120.570 0.275 0.000 2.412 403 I HA 0.555 4.724 4.170 -0.000 0.000 0.296 403 I C 1.074 177.313 176.117 0.203 0.000 0.987 403 I CA -0.514 60.941 61.300 0.259 0.000 1.180 403 I CB 2.008 40.104 38.000 0.161 0.000 1.340 403 I HN 0.926 nan 8.210 nan 0.000 0.455 404 A N 7.114 130.055 122.820 0.202 0.000 3.077 404 A HA 0.305 4.625 4.320 -0.000 0.000 0.255 404 A C 1.164 178.813 177.584 0.109 0.000 1.728 404 A CA -0.148 51.977 52.037 0.147 0.000 1.383 404 A CB -0.770 18.315 19.000 0.142 0.000 1.097 404 A HN 0.840 nan 8.150 nan 0.000 0.634 405 L N -0.042 121.240 121.223 0.097 0.000 2.456 405 L HA -0.110 4.230 4.340 -0.000 0.000 0.224 405 L C 1.679 178.584 176.870 0.057 0.000 1.148 405 L CA 0.913 55.797 54.840 0.074 0.000 0.825 405 L CB -0.250 41.845 42.059 0.060 0.000 0.937 405 L HN 0.684 nan 8.230 nan 0.000 0.450 406 D N -0.298 120.138 120.400 0.059 0.000 2.363 406 D HA -0.108 4.531 4.640 -0.000 0.000 0.220 406 D C 0.807 177.134 176.300 0.045 0.000 0.994 406 D CA 0.244 54.272 54.000 0.048 0.000 0.890 406 D CB 0.005 40.833 40.800 0.047 0.000 0.906 406 D HN 0.216 nan 8.370 nan 0.000 0.530 407 R N 0.924 121.455 120.500 0.051 0.000 2.215 407 R HA 0.248 4.588 4.340 -0.000 0.000 0.336 407 R C -1.794 174.529 176.300 0.039 0.000 0.996 407 R CA -1.662 54.465 56.100 0.044 0.000 0.847 407 R CB 1.498 31.826 30.300 0.048 0.000 1.127 407 R HN -0.089 nan 8.270 nan 0.000 0.465 408 P HA -0.286 nan 4.420 nan 0.000 0.216 408 P C 1.219 178.535 177.300 0.027 0.000 1.154 408 P CA 1.312 64.428 63.100 0.028 0.000 0.865 408 P CB 0.247 31.960 31.700 0.022 0.000 0.789 409 Q N -0.625 119.190 119.800 0.024 0.000 2.224 409 Q HA -0.074 4.266 4.340 -0.000 0.000 0.203 409 Q C 1.887 177.901 176.000 0.024 0.000 0.970 409 Q CA 1.498 57.313 55.803 0.019 0.000 0.865 409 Q CB -1.440 27.306 28.738 0.013 0.000 0.922 409 Q HN 0.145 nan 8.270 nan 0.000 0.445 410 V N 2.053 121.987 119.914 0.033 0.000 2.323 410 V HA -0.168 3.951 4.120 -0.000 0.000 0.244 410 V C 2.707 178.841 176.094 0.068 0.000 1.041 410 V CA 1.642 63.970 62.300 0.046 0.000 1.025 410 V CB -1.104 30.755 31.823 0.059 0.000 0.656 410 V HN 0.483 nan 8.190 nan 0.000 0.451 411 A N 0.147 123.004 122.820 0.062 0.000 1.892 411 A HA -0.288 4.031 4.320 -0.000 0.000 0.218 411 A C 2.392 180.010 177.584 0.056 0.000 1.188 411 A CA 2.858 54.932 52.037 0.060 0.000 0.631 411 A CB -1.147 17.880 19.000 0.045 0.000 0.822 411 A HN 0.527 nan 8.150 nan 0.000 0.447 412 T N 0.005 114.585 114.554 0.043 0.000 2.674 412 T HA -0.203 4.147 4.350 -0.000 0.000 0.265 412 T C 2.074 176.801 174.700 0.044 0.000 1.039 412 T CA 1.784 63.906 62.100 0.036 0.000 1.150 412 T CB -0.336 68.546 68.868 0.025 0.000 0.864 412 T HN 0.642 nan 8.240 nan 0.000 0.427 413 Q N 0.148 119.973 119.800 0.042 0.000 2.119 413 Q HA -0.041 4.299 4.340 -0.000 0.000 0.201 413 Q C 2.582 178.632 176.000 0.083 0.000 0.972 413 Q CA 0.958 56.784 55.803 0.038 0.000 0.847 413 Q CB -0.309 28.433 28.738 0.007 0.000 0.903 413 Q HN 0.339 nan 8.270 nan 0.000 0.433 414 V N 0.744 120.739 119.914 0.134 0.000 2.307 414 V HA -0.253 3.866 4.120 -0.000 0.000 0.245 414 V C 2.311 178.548 176.094 0.238 0.000 1.045 414 V CA 1.868 64.322 62.300 0.257 0.000 1.024 414 V CB -0.525 31.467 31.823 0.281 0.000 0.651 414 V HN 0.299 nan 8.190 nan 0.000 0.449 415 R N -0.173 120.405 120.500 0.130 0.000 2.091 415 R HA -0.260 4.080 4.340 -0.000 0.000 0.238 415 R C 2.419 178.775 176.300 0.093 0.000 1.136 415 R CA 2.107 58.259 56.100 0.087 0.000 0.959 415 R CB -0.253 30.076 30.300 0.048 0.000 0.856 415 R HN 0.474 nan 8.270 nan 0.000 0.437 416 Q N 0.274 120.122 119.800 0.080 0.000 2.084 416 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 416 Q C 1.839 177.887 176.000 0.080 0.000 0.978 416 Q CA 2.256 58.096 55.803 0.062 0.000 0.844 416 Q CB -0.374 28.386 28.738 0.037 0.000 0.898 416 Q HN 0.444 nan 8.270 nan 0.000 0.426 417 A N -0.003 122.882 122.820 0.108 0.000 1.908 417 A HA -0.169 4.150 4.320 -0.000 0.000 0.218 417 A C 2.015 179.737 177.584 0.230 0.000 1.181 417 A CA 1.578 53.680 52.037 0.108 0.000 0.627 417 A CB -0.862 18.158 19.000 0.034 0.000 0.818 417 A HN 0.465 nan 8.150 nan 0.000 0.445 418 L N -0.380 121.041 121.223 0.331 0.000 2.056 418 L HA -0.028 4.312 4.340 -0.000 0.000 0.207 418 L C 2.723 179.682 176.870 0.148 0.000 1.078 418 L CA 2.105 57.108 54.840 0.272 0.000 0.749 418 L CB -0.842 41.267 42.059 0.083 0.000 0.901 418 L HN 0.349 nan 8.230 nan 0.000 0.433 419 A N -0.740 122.140 122.820 0.101 0.000 1.877 419 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 419 A C 1.981 179.606 177.584 0.068 0.000 1.186 419 A CA 1.948 54.026 52.037 0.069 0.000 0.620 419 A CB -0.850 18.177 19.000 0.046 0.000 0.822 419 A HN 0.522 nan 8.150 nan 0.000 0.443 420 D N 0.092 120.529 120.400 0.062 0.000 2.117 420 D HA -0.032 4.608 4.640 -0.000 0.000 0.197 420 D C 2.223 178.546 176.300 0.037 0.000 0.987 420 D CA 1.487 55.508 54.000 0.036 0.000 0.829 420 D CB -0.504 40.306 40.800 0.017 0.000 0.961 420 D HN 0.427 nan 8.370 nan 0.000 0.460 421 A N 1.181 124.043 122.820 0.070 0.000 1.877 421 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 421 A C 2.338 179.963 177.584 0.069 0.000 1.186 421 A CA 2.360 54.435 52.037 0.064 0.000 0.620 421 A CB -0.843 18.240 19.000 0.139 0.000 0.822 421 A HN 0.235 nan 8.150 nan 0.000 0.443 422 A N -0.049 122.865 122.820 0.158 0.000 1.883 422 A HA 0.086 4.406 4.320 -0.000 0.000 0.217 422 A C 2.549 180.197 177.584 0.107 0.000 1.186 422 A CA 2.446 54.628 52.037 0.242 0.000 0.624 422 A CB -1.192 17.941 19.000 0.221 0.000 0.822 422 A HN 1.170 nan 8.150 nan 0.000 0.444 423 A N -0.474 122.382 122.820 0.060 0.000 1.908 423 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 423 A C 2.073 179.649 177.584 -0.013 0.000 1.181 423 A CA 2.007 54.058 52.037 0.022 0.000 0.627 423 A CB -0.607 18.402 19.000 0.016 0.000 0.818 423 A HN 0.711 nan 8.150 nan 0.000 0.445 424 E N -0.259 119.923 120.200 -0.030 0.000 2.077 424 E HA -0.132 4.217 4.350 -0.000 0.000 0.193 424 E C 1.907 178.442 176.600 -0.108 0.000 0.989 424 E CA 1.480 57.842 56.400 -0.063 0.000 0.800 424 E CB -0.133 29.528 29.700 -0.065 0.000 0.746 424 E HN 0.339 nan 8.360 nan 0.000 0.452 425 V N 1.244 121.055 119.914 -0.173 0.000 2.295 425 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 425 V C 1.960 177.936 176.094 -0.197 0.000 1.049 425 V CA 2.261 64.380 62.300 -0.302 0.000 1.024 425 V CB -0.489 30.889 31.823 -0.742 0.000 0.648 425 V HN 0.275 nan 8.190 nan 0.000 0.447 426 E N -0.489 119.649 120.200 -0.103 0.000 2.358 426 E HA -0.141 4.209 4.350 -0.000 0.000 0.195 426 E C 2.154 178.733 176.600 -0.037 0.000 1.010 426 E CA 0.437 56.816 56.400 -0.036 0.000 0.856 426 E CB -0.047 29.672 29.700 0.031 0.000 0.795 426 E HN 0.477 nan 8.360 nan 0.000 0.504 427 K N 1.212 121.584 120.400 -0.046 0.000 2.296 427 K HA -0.027 4.293 4.320 -0.000 0.000 0.200 427 K C 0.917 177.487 176.600 -0.051 0.000 1.048 427 K CA 0.422 56.684 56.287 -0.041 0.000 0.966 427 K CB 0.203 32.680 32.500 -0.038 0.000 0.754 427 K HN 0.086 nan 8.250 nan 0.000 0.466 428 S N -1.141 114.517 115.700 -0.071 0.000 2.626 428 S HA 0.192 4.662 4.470 -0.000 0.000 0.257 428 S C 0.721 175.280 174.600 -0.067 0.000 1.288 428 S CA -0.415 57.740 58.200 -0.075 0.000 0.980 428 S CB 1.351 64.493 63.200 -0.097 0.000 0.975 428 S HN 0.178 nan 8.310 nan 0.000 0.577 429 G N 0.434 109.191 108.800 -0.072 0.000 4.464 429 G HA2 0.516 4.476 3.960 -0.000 0.000 0.297 429 G HA3 0.516 4.476 3.960 -0.000 0.000 0.297 429 G C -0.226 174.630 174.900 -0.075 0.000 1.342 429 G CA -0.685 44.376 45.100 -0.065 0.000 1.335 429 G HN 0.912 nan 8.290 nan 0.000 0.609 430 I N -1.588 118.941 120.570 -0.068 0.000 2.533 430 I HA 0.665 4.835 4.170 -0.000 0.000 0.290 430 I C -2.433 173.665 176.117 -0.031 0.000 1.056 430 I CA -2.812 58.452 61.300 -0.060 0.000 1.057 430 I CB 2.599 40.556 38.000 -0.072 0.000 1.240 430 I HN -0.096 nan 8.210 nan 0.000 0.423 431 P HA 0.261 nan 4.420 nan 0.000 0.277 431 P C -0.290 177.028 177.300 0.029 0.000 1.240 431 P CA -0.116 62.989 63.100 0.009 0.000 0.798 431 P CB 1.129 32.835 31.700 0.011 0.000 0.979 432 D N 1.331 121.761 120.400 0.051 0.000 2.309 432 D HA -0.070 4.569 4.640 -0.000 0.000 0.212 432 D C 2.017 178.361 176.300 0.074 0.000 0.968 432 D CA 1.298 55.348 54.000 0.084 0.000 0.882 432 D CB -0.426 40.434 40.800 0.100 0.000 0.918 432 D HN 0.643 nan 8.370 nan 0.000 0.503 433 G N 0.233 109.066 108.800 0.054 0.000 2.484 433 G HA2 0.035 3.994 3.960 -0.000 0.000 0.218 433 G HA3 0.035 3.994 3.960 -0.000 0.000 0.218 433 G C 0.737 175.673 174.900 0.060 0.000 1.130 433 G CA 0.519 45.651 45.100 0.053 0.000 0.784 433 G HN 0.395 nan 8.290 nan 0.000 0.543 434 A N 0.288 123.142 122.820 0.056 0.000 2.462 434 A HA 0.602 4.922 4.320 -0.000 0.000 0.243 434 A C 0.559 178.201 177.584 0.097 0.000 1.076 434 A CA -0.093 51.980 52.037 0.061 0.000 0.773 434 A CB 0.337 19.358 19.000 0.036 0.000 1.010 434 A HN 0.417 nan 8.150 nan 0.000 0.493 435 R N 0.635 121.204 120.500 0.115 0.000 2.782 435 R HA 0.227 4.566 4.340 -0.000 0.000 0.258 435 R C 1.001 177.444 176.300 0.238 0.000 1.055 435 R CA -0.800 55.407 56.100 0.178 0.000 1.065 435 R CB 0.761 31.157 30.300 0.161 0.000 1.172 435 R HN 0.997 nan 8.270 nan 0.000 0.510 436 W N 1.398 122.762 121.300 0.107 0.000 2.338 436 W HA -0.146 4.513 4.660 -0.000 0.000 0.304 436 W C 1.171 177.762 176.519 0.119 0.000 1.212 436 W CA 1.980 59.406 57.345 0.134 0.000 1.264 436 W CB -0.051 29.546 29.460 0.229 0.000 1.142 436 W HN 0.823 nan 8.180 nan 0.000 0.512 437 G N 0.111 108.951 108.800 0.067 0.000 2.471 437 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.219 437 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.219 437 G C 1.057 175.925 174.900 -0.052 0.000 1.125 437 G CA 0.991 46.059 45.100 -0.054 0.000 0.775 437 G HN 0.217 nan 8.290 nan 0.000 0.548 438 D N 0.222 120.625 120.400 0.004 0.000 2.269 438 D HA 0.009 4.648 4.640 -0.000 0.000 0.208 438 D C 2.422 178.755 176.300 0.055 0.000 0.963 438 D CA 0.442 54.466 54.000 0.040 0.000 0.864 438 D CB 0.274 41.107 40.800 0.056 0.000 0.936 438 D HN 0.355 nan 8.370 nan 0.000 0.505 439 L N -0.373 120.804 121.223 -0.076 0.000 2.262 439 L HA 0.102 4.441 4.340 -0.000 0.000 0.197 439 L C 1.281 178.020 176.870 -0.219 0.000 1.073 439 L CA 0.134 54.897 54.840 -0.130 0.000 0.800 439 L CB -0.008 41.929 42.059 -0.203 0.000 0.987 439 L HN -0.155 nan 8.230 nan 0.000 0.470 440 Q N 1.817 121.291 119.800 -0.543 0.000 2.303 440 Q HA 0.475 4.815 4.340 -0.000 0.000 0.257 440 Q C -1.075 174.757 176.000 -0.279 0.000 0.941 440 Q CA -0.303 55.181 55.803 -0.532 0.000 0.931 440 Q CB 1.425 29.589 28.738 -0.957 0.000 1.215 440 Q HN 0.150 nan 8.270 nan 0.000 0.437 441 V N -0.088 119.723 119.914 -0.171 0.000 3.181 441 V HA 0.758 4.878 4.120 -0.000 0.000 0.308 441 V C -1.089 174.968 176.094 -0.062 0.000 1.214 441 V CA -0.927 61.307 62.300 -0.110 0.000 1.053 441 V CB 2.024 33.743 31.823 -0.174 0.000 1.069 441 V HN 0.609 nan 8.190 nan 0.000 0.441 442 S N 0.613 116.322 115.700 0.015 0.000 2.552 442 S HA 0.627 5.096 4.470 -0.000 0.000 0.314 442 S C -0.154 174.473 174.600 0.046 0.000 1.099 442 S CA -0.259 57.989 58.200 0.081 0.000 1.070 442 S CB 1.076 64.454 63.200 0.296 0.000 0.998 442 S HN 1.049 nan 8.310 nan 0.000 0.474 443 T N 5.907 120.482 114.554 0.034 0.000 2.851 443 T HA 0.391 4.741 4.350 -0.000 0.000 0.298 443 T C -0.269 174.463 174.700 0.052 0.000 0.977 443 T CA -0.357 61.760 62.100 0.027 0.000 1.126 443 T CB 0.197 69.082 68.868 0.029 0.000 0.916 443 T HN 0.415 nan 8.240 nan 0.000 0.529 444 R N 2.798 123.331 120.500 0.056 0.000 2.467 444 R HA 0.505 4.844 4.340 -0.000 0.000 0.299 444 R C 0.872 177.325 176.300 0.254 0.000 1.120 444 R CA -0.242 55.921 56.100 0.104 0.000 0.940 444 R CB 0.929 31.168 30.300 -0.102 0.000 1.161 444 R HN 0.991 nan 8.270 nan 0.000 0.506 445 G N 2.744 111.742 108.800 0.330 0.000 2.561 445 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.289 445 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.289 445 G C 0.418 175.380 174.900 0.102 0.000 1.169 445 G CA -0.056 45.150 45.100 0.176 0.000 0.980 445 G HN 0.462 nan 8.290 nan 0.000 0.550 446 Q N 1.678 121.521 119.800 0.072 0.000 2.360 446 Q HA 0.211 4.551 4.340 -0.000 0.000 0.202 446 Q C 0.877 176.896 176.000 0.033 0.000 0.915 446 Q CA 0.730 56.559 55.803 0.045 0.000 0.943 446 Q CB 0.405 29.163 28.738 0.033 0.000 1.064 446 Q HN 0.709 nan 8.270 nan 0.000 0.511 447 E N 0.621 120.846 120.200 0.042 0.000 2.232 447 E HA 0.465 4.815 4.350 -0.000 0.000 0.265 447 E C -0.311 176.286 176.600 -0.005 0.000 1.001 447 E CA -0.508 55.904 56.400 0.019 0.000 0.870 447 E CB 1.508 31.230 29.700 0.036 0.000 1.175 447 E HN -0.049 nan 8.360 nan 0.000 0.407 448 R N 0.561 121.036 120.500 -0.041 0.000 2.686 448 R HA 0.567 4.907 4.340 -0.000 0.000 0.286 448 R C -0.483 175.791 176.300 -0.044 0.000 0.969 448 R CA -0.565 55.489 56.100 -0.078 0.000 0.898 448 R CB 1.621 31.796 30.300 -0.208 0.000 1.183 448 R HN 0.385 nan 8.270 nan 0.000 0.456 449 I N 2.058 122.620 120.570 -0.013 0.000 2.378 449 I HA 0.359 4.528 4.170 -0.000 0.000 0.291 449 I C 0.211 176.345 176.117 0.028 0.000 0.992 449 I CA -0.836 60.479 61.300 0.025 0.000 1.154 449 I CB 2.004 40.047 38.000 0.072 0.000 1.315 449 I HN 0.662 nan 8.210 nan 0.000 0.448 450 A N 7.884 130.714 122.820 0.018 0.000 2.488 450 A HA 0.464 4.783 4.320 -0.000 0.000 0.249 450 A C -0.308 177.311 177.584 0.058 0.000 1.083 450 A CA 0.160 52.198 52.037 0.003 0.000 0.768 450 A CB -0.014 18.988 19.000 0.002 0.000 1.017 450 A HN 0.528 nan 8.150 nan 0.000 0.496 451 I N 4.969 125.562 120.570 0.040 0.000 2.410 451 I HA 0.343 4.513 4.170 -0.000 0.000 0.286 451 I C -2.332 173.873 176.117 0.146 0.000 1.009 451 I CA -2.317 59.079 61.300 0.160 0.000 1.111 451 I CB 1.587 39.713 38.000 0.210 0.000 1.262 451 I HN 0.452 nan 8.210 nan 0.000 0.443 452 P HA 0.527 nan 4.420 nan 0.000 0.279 452 P C -0.034 177.467 177.300 0.335 0.000 1.252 452 P CA 0.227 63.467 63.100 0.232 0.000 0.811 452 P CB 1.834 33.578 31.700 0.074 0.000 1.035 453 G N -0.711 108.339 108.800 0.417 0.000 2.440 453 G HA2 0.423 4.383 3.960 -0.000 0.000 0.684 453 G HA3 0.423 4.383 3.960 -0.000 0.000 0.684 453 G C -0.865 174.359 174.900 0.540 0.000 1.309 453 G CA -0.349 44.980 45.100 0.383 0.000 0.931 453 G HN 0.800 nan 8.290 nan 0.000 0.612 454 G N -1.045 108.005 108.800 0.417 0.000 2.687 454 G HA2 0.631 4.591 3.960 -0.000 0.000 0.291 454 G HA3 0.631 4.591 3.960 -0.000 0.000 0.291 454 G C -1.262 173.905 174.900 0.446 0.000 1.420 454 G CA 0.141 45.582 45.100 0.569 0.000 0.796 454 G HN 0.814 nan 8.290 nan 0.000 0.485 455 D N -0.174 120.551 120.400 0.542 0.000 2.455 455 D HA 0.153 4.793 4.640 -0.000 0.000 0.241 455 D C 1.719 178.171 176.300 0.255 0.000 1.138 455 D CA 0.795 55.002 54.000 0.345 0.000 0.877 455 D CB 1.398 42.357 40.800 0.266 0.000 1.187 455 D HN 0.422 nan 8.370 nan 0.000 0.451 456 G N 2.990 111.853 108.800 0.105 0.000 2.462 456 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.220 456 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.220 456 G C 1.203 176.100 174.900 -0.004 0.000 1.121 456 G CA 0.822 45.948 45.100 0.044 0.000 0.758 456 G HN 0.657 nan 8.290 nan 0.000 0.559 457 H N -0.896 118.122 119.070 -0.086 0.000 2.521 457 H HA 0.067 4.622 4.556 -0.000 0.000 0.286 457 H C 1.233 176.462 175.328 -0.166 0.000 1.034 457 H CA 0.839 56.770 56.048 -0.195 0.000 1.278 457 H CB -0.067 29.447 29.762 -0.412 0.000 1.386 457 H HN 0.442 nan 8.280 nan 0.000 0.567 458 F N -0.835 119.321 119.950 0.343 0.000 2.693 458 F HA 0.291 4.817 4.527 -0.001 0.000 0.303 458 F C 1.652 177.657 175.800 0.341 0.000 1.097 458 F CA 0.364 58.596 58.000 0.386 0.000 1.330 458 F CB 0.095 39.385 39.000 0.483 0.000 1.067 458 F HN 0.180 nan 8.300 nan 0.000 0.565 459 G N 0.581 109.621 108.800 0.399 0.000 2.147 459 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.244 459 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.244 459 G C -0.088 174.956 174.900 0.239 0.000 1.005 459 G CA 0.093 45.415 45.100 0.371 0.000 0.713 459 G HN 0.162 nan 8.290 nan 0.000 0.515 460 V N 0.735 120.782 119.914 0.221 0.000 2.408 460 V HA 0.284 4.403 4.120 -0.000 0.000 0.267 460 V C 1.463 177.661 176.094 0.173 0.000 1.047 460 V CA -0.309 62.067 62.300 0.126 0.000 0.937 460 V CB 0.802 32.719 31.823 0.156 0.000 0.999 460 V HN 0.300 nan 8.190 nan 0.000 0.472 461 Y N 4.228 124.513 120.300 -0.026 0.000 2.145 461 Y HA -0.156 4.394 4.550 -0.000 0.000 0.286 461 Y C 1.881 177.910 175.900 0.216 0.000 1.145 461 Y CA 1.847 60.019 58.100 0.119 0.000 1.148 461 Y CB -0.011 38.525 38.460 0.127 0.000 0.981 461 Y HN 0.721 nan 8.280 nan 0.000 0.507 462 N N 1.468 120.330 118.700 0.269 0.000 2.744 462 N HA 0.128 4.868 4.740 -0.000 0.000 0.290 462 N C -0.999 174.586 175.510 0.125 0.000 1.206 462 N CA 0.385 53.582 53.050 0.245 0.000 1.119 462 N CB -0.508 38.158 38.487 0.299 0.000 1.449 462 N HN 0.273 nan 8.380 nan 0.000 0.514 463 A N 3.445 126.173 122.820 -0.155 0.000 2.454 463 A HA 0.401 4.721 4.320 -0.000 0.000 0.260 463 A C -0.210 177.305 177.584 -0.115 0.000 1.106 463 A CA -0.126 51.771 52.037 -0.234 0.000 0.780 463 A CB 0.107 18.756 19.000 -0.584 0.000 1.044 463 A HN 0.540 nan 8.150 nan 0.000 0.498 464 I N 2.423 123.037 120.570 0.073 0.000 2.512 464 I HA 0.283 4.453 4.170 -0.000 0.000 0.287 464 I C -0.134 176.038 176.117 0.092 0.000 1.069 464 I CA -0.135 61.213 61.300 0.081 0.000 1.056 464 I CB 1.628 39.735 38.000 0.179 0.000 1.229 464 I HN 0.840 nan 8.210 nan 0.000 0.429 465 Q N 3.981 123.780 119.800 -0.002 0.000 2.271 465 Q HA 0.604 4.944 4.340 -0.000 0.000 0.258 465 Q C -1.108 174.867 176.000 -0.042 0.000 0.936 465 Q CA -0.174 55.642 55.803 0.023 0.000 0.909 465 Q CB 1.684 30.431 28.738 0.014 0.000 1.253 465 Q HN 0.710 nan 8.270 nan 0.000 0.440 466 S N 1.507 117.215 115.700 0.014 0.000 2.632 466 S HA 0.712 5.182 4.470 -0.000 0.000 0.289 466 S C -1.159 173.437 174.600 -0.007 0.000 1.115 466 S CA -0.688 57.495 58.200 -0.027 0.000 0.889 466 S CB 1.899 65.086 63.200 -0.021 0.000 1.116 466 S HN 0.569 nan 8.310 nan 0.000 0.486 467 V N -0.010 119.889 119.914 -0.025 0.000 2.876 467 V HA 0.705 4.824 4.120 -0.000 0.000 0.312 467 V C -0.667 175.416 176.094 -0.019 0.000 1.085 467 V CA -1.209 61.080 62.300 -0.018 0.000 0.945 467 V CB 1.632 33.442 31.823 -0.021 0.000 1.017 467 V HN 0.707 nan 8.190 nan 0.000 0.428 468 R N 2.900 123.389 120.500 -0.019 0.000 2.484 468 R HA 0.402 4.741 4.340 -0.000 0.000 0.293 468 R C -0.442 175.850 176.300 -0.012 0.000 1.023 468 R CA 0.417 56.505 56.100 -0.020 0.000 1.037 468 R CB 0.052 30.335 30.300 -0.029 0.000 0.951 468 R HN 0.813 nan 8.270 nan 0.000 0.418 469 K N 1.547 121.948 120.400 0.000 0.000 2.565 469 K HA 0.313 4.633 4.320 -0.000 0.000 0.249 469 K C 0.385 177.002 176.600 0.028 0.000 0.958 469 K CA -0.049 56.244 56.287 0.011 0.000 0.806 469 K CB 2.359 34.868 32.500 0.015 0.000 1.194 469 K HN 0.734 nan 8.250 nan 0.000 0.434 470 G N 3.247 112.057 108.800 0.017 0.000 2.629 470 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.313 470 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.313 470 G C 0.206 175.100 174.900 -0.011 0.000 1.217 470 G CA 0.647 45.758 45.100 0.020 0.000 0.994 470 G HN 0.731 nan 8.290 nan 0.000 0.549 471 D N 1.166 121.556 120.400 -0.017 0.000 2.363 471 D HA 0.194 4.834 4.640 -0.000 0.000 0.214 471 D C 0.635 176.691 176.300 -0.407 0.000 1.093 471 D CA 0.383 54.268 54.000 -0.192 0.000 0.837 471 D CB 0.164 40.822 40.800 -0.235 0.000 0.948 471 D HN 0.517 nan 8.370 nan 0.000 0.507 472 H N -0.302 118.736 119.070 -0.053 0.000 2.864 472 H HA 0.411 4.967 4.556 -0.001 0.000 0.354 472 H C -0.176 175.099 175.328 -0.089 0.000 1.208 472 H CA -0.691 55.309 56.048 -0.079 0.000 1.191 472 H CB 1.911 31.628 29.762 -0.076 0.000 1.889 472 H HN -0.177 nan 8.280 nan 0.000 0.574 473 L N 1.800 123.027 121.223 0.006 0.000 2.255 473 L HA 0.176 4.516 4.340 -0.000 0.000 0.289 473 L C 0.207 177.040 176.870 -0.062 0.000 1.046 473 L CA -0.434 54.373 54.840 -0.055 0.000 0.816 473 L CB 0.809 42.792 42.059 -0.128 0.000 1.197 473 L HN 0.460 nan 8.230 nan 0.000 0.427 474 E N 2.923 123.097 120.200 -0.043 0.000 2.200 474 E HA 0.255 4.605 4.350 -0.000 0.000 0.283 474 E C -0.775 175.761 176.600 -0.106 0.000 1.015 474 E CA -0.540 55.825 56.400 -0.057 0.000 0.819 474 E CB 1.345 31.032 29.700 -0.023 0.000 1.081 474 E HN 0.253 nan 8.360 nan 0.000 0.397 475 V N 5.918 125.725 119.914 -0.179 0.000 2.540 475 V HA -0.003 4.117 4.120 -0.000 0.000 0.297 475 V C 1.185 177.086 176.094 -0.322 0.000 1.024 475 V CA 0.647 62.730 62.300 -0.361 0.000 1.105 475 V CB 0.778 32.166 31.823 -0.724 0.000 0.938 475 V HN 0.755 nan 8.190 nan 0.000 0.482 476 V N 1.642 121.380 119.914 -0.293 0.000 3.612 476 V HA 0.758 4.877 4.120 -0.000 0.000 0.268 476 V C 0.670 176.683 176.094 -0.134 0.000 1.365 476 V CA 0.811 63.022 62.300 -0.148 0.000 1.044 476 V CB 0.190 31.976 31.823 -0.061 0.000 0.820 476 V HN 1.011 nan 8.190 nan 0.000 0.444 477 G N -2.011 106.612 108.800 -0.296 0.000 2.506 477 G HA2 0.700 4.660 3.960 -0.000 0.000 0.292 477 G HA3 0.700 4.660 3.960 -0.000 0.000 0.292 477 G C -0.329 174.547 174.900 -0.040 0.000 1.425 477 G CA 0.146 45.227 45.100 -0.031 0.000 0.788 477 G HN 1.415 nan 8.290 nan 0.000 0.490 478 G N -1.430 107.549 108.800 0.297 0.000 2.236 478 G HA2 0.406 4.366 3.960 -0.000 0.000 0.231 478 G HA3 0.406 4.366 3.960 -0.000 0.000 0.231 478 G C 0.004 175.211 174.900 0.512 0.000 1.334 478 G CA 0.238 45.488 45.100 0.250 0.000 1.137 478 G HN 1.510 nan 8.290 nan 0.000 0.482 479 T N 1.356 116.139 114.554 0.382 0.000 2.819 479 T HA 0.398 4.748 4.350 -0.000 0.000 0.282 479 T C 1.297 176.173 174.700 0.293 0.000 1.013 479 T CA 1.627 63.967 62.100 0.399 0.000 1.159 479 T CB 0.353 69.435 68.868 0.357 0.000 1.007 479 T HN 1.621 nan 8.240 nan 0.000 0.514 480 S N 2.788 118.545 115.700 0.095 0.000 4.002 480 S HA 0.219 4.688 4.470 -0.000 0.000 0.167 480 S C -0.293 174.043 174.600 -0.440 0.000 0.914 480 S CA -0.664 57.448 58.200 -0.147 0.000 1.110 480 S CB 0.064 63.569 63.200 0.510 0.000 1.714 480 S HN 0.570 nan 8.310 nan 0.000 0.858 481 Y N 3.052 123.089 120.300 -0.439 0.000 2.365 481 Y HA 0.705 5.254 4.550 -0.000 0.000 0.340 481 Y C -0.788 174.814 175.900 -0.496 0.000 1.016 481 Y CA -1.797 55.957 58.100 -0.577 0.000 1.196 481 Y CB 0.206 38.188 38.460 -0.796 0.000 1.167 481 Y HN 0.379 nan 8.280 nan 0.000 0.509 482 I N 6.685 126.668 120.570 -0.978 0.000 2.378 482 I HA 0.348 4.517 4.170 -0.000 0.000 0.291 482 I C -0.719 174.659 176.117 -1.233 0.000 0.992 482 I CA -0.657 60.043 61.300 -1.000 0.000 1.154 482 I CB 1.723 39.096 38.000 -1.044 0.000 1.315 482 I HN 0.544 nan 8.210 nan 0.000 0.448 483 Q N 6.558 125.758 119.800 -0.999 0.000 2.274 483 Q HA 0.512 4.852 4.340 -0.000 0.000 0.268 483 Q C -2.089 173.634 176.000 -0.460 0.000 1.015 483 Q CA -0.821 54.523 55.803 -0.765 0.000 0.775 483 Q CB 2.603 30.876 28.738 -0.775 0.000 1.256 483 Q HN 0.591 nan 8.270 nan 0.000 0.442 484 L N 4.999 126.015 121.223 -0.345 0.000 2.342 484 L HA 0.598 4.938 4.340 -0.000 0.000 0.276 484 L C -1.866 174.816 176.870 -0.312 0.000 0.997 484 L CA -0.486 54.234 54.840 -0.201 0.000 0.838 484 L CB 1.840 43.913 42.059 0.024 0.000 1.224 484 L HN 0.455 nan 8.230 nan 0.000 0.416 485 V N 3.796 123.489 119.914 -0.369 0.000 2.540 485 V HA 0.786 4.905 4.120 -0.000 0.000 0.302 485 V C 0.174 175.938 176.094 -0.549 0.000 1.035 485 V CA -0.159 61.788 62.300 -0.587 0.000 0.873 485 V CB 1.935 33.320 31.823 -0.729 0.000 0.992 485 V HN 0.892 nan 8.190 nan 0.000 0.428 486 T N 0.239 114.419 114.554 -0.623 0.000 2.888 486 T HA 0.766 5.116 4.350 -0.000 0.000 0.288 486 T C -0.881 173.392 174.700 -0.712 0.000 1.063 486 T CA -0.522 61.288 62.100 -0.482 0.000 1.010 486 T CB 1.913 70.656 68.868 -0.208 0.000 1.214 486 T HN 0.181 nan 8.240 nan 0.000 0.533 487 F N 1.816 121.747 119.950 -0.032 0.000 2.523 487 F HA 0.384 4.911 4.527 -0.000 0.000 0.322 487 F C -2.231 173.577 175.800 0.013 0.000 1.361 487 F CA -2.068 55.931 58.000 -0.003 0.000 1.151 487 F CB 0.809 39.827 39.000 0.031 0.000 1.391 487 F HN 0.336 nan 8.300 nan 0.000 0.566 488 P HA 0.015 nan 4.420 nan 0.000 0.273 488 P C 0.904 178.268 177.300 0.106 0.000 1.250 488 P CA -0.041 63.108 63.100 0.081 0.000 0.793 488 P CB 1.199 32.917 31.700 0.031 0.000 1.011 489 E N 0.303 120.554 120.200 0.084 0.000 2.118 489 E HA -0.246 4.104 4.350 -0.000 0.000 0.195 489 E C 1.269 177.923 176.600 0.091 0.000 0.992 489 E CA 1.493 57.946 56.400 0.087 0.000 0.804 489 E CB -0.022 29.716 29.700 0.064 0.000 0.741 489 E HN 0.407 nan 8.360 nan 0.000 0.458 490 E N -0.450 119.797 120.200 0.077 0.000 2.268 490 E HA 0.113 4.463 4.350 -0.000 0.000 0.195 490 E C 0.695 177.355 176.600 0.100 0.000 0.995 490 E CA 0.770 57.215 56.400 0.075 0.000 0.836 490 E CB 0.325 30.059 29.700 0.058 0.000 0.763 490 E HN 0.337 nan 8.360 nan 0.000 0.491 491 G N -0.170 108.701 108.800 0.119 0.000 2.361 491 G HA2 0.108 4.068 3.960 -0.000 0.000 0.305 491 G HA3 0.108 4.068 3.960 -0.000 0.000 0.305 491 G C -3.035 171.943 174.900 0.129 0.000 1.367 491 G CA -1.045 44.151 45.100 0.160 0.000 0.951 491 G HN -0.146 nan 8.290 nan 0.000 0.615 492 P HA 0.232 nan 4.420 nan 0.000 0.268 492 P C -0.792 176.398 177.300 -0.184 0.000 1.204 492 P CA 0.167 63.201 63.100 -0.109 0.000 0.768 492 P CB 1.152 32.776 31.700 -0.125 0.000 0.842 493 K N 2.477 122.684 120.400 -0.322 0.000 2.316 493 K HA 0.584 4.903 4.320 -0.000 0.000 0.267 493 K C -0.995 175.336 176.600 -0.448 0.000 1.025 493 K CA -0.671 55.454 56.287 -0.270 0.000 0.896 493 K CB 0.617 33.011 32.500 -0.176 0.000 1.124 493 K HN 0.498 nan 8.250 nan 0.000 0.451 494 A N 4.675 127.206 122.820 -0.482 0.000 2.330 494 A HA 0.583 4.902 4.320 -0.000 0.000 0.327 494 A C -0.932 176.472 177.584 -0.301 0.000 1.155 494 A CA -0.845 50.827 52.037 -0.609 0.000 0.803 494 A CB 1.023 19.355 19.000 -1.112 0.000 1.208 494 A HN 0.882 nan 8.150 nan 0.000 0.477 495 R N 1.524 121.875 120.500 -0.248 0.000 2.673 495 R HA 0.679 5.019 4.340 -0.000 0.000 0.281 495 R C 0.063 176.276 176.300 -0.145 0.000 0.991 495 R CA 0.399 56.443 56.100 -0.094 0.000 0.896 495 R CB 1.919 32.231 30.300 0.019 0.000 1.201 495 R HN 1.495 nan 8.270 nan 0.000 0.457 496 G N 2.300 111.008 108.800 -0.153 0.000 2.455 496 G HA2 0.287 4.247 3.960 -0.000 0.000 0.223 496 G HA3 0.287 4.247 3.960 -0.000 0.000 0.223 496 G C -1.956 172.704 174.900 -0.400 0.000 1.226 496 G CA -0.595 44.204 45.100 -0.502 0.000 0.948 496 G HN 0.508 nan 8.290 nan 0.000 0.478 497 L N -0.964 119.961 121.223 -0.498 0.000 2.869 497 L HA 0.529 4.868 4.340 -0.000 0.000 0.265 497 L C -1.776 174.892 176.870 -0.336 0.000 1.011 497 L CA -0.771 53.881 54.840 -0.314 0.000 0.913 497 L CB 2.322 44.230 42.059 -0.251 0.000 1.490 497 L HN 0.639 nan 8.230 nan 0.000 0.410 498 L N 1.384 122.428 121.223 -0.299 0.000 2.277 498 L HA 0.585 4.925 4.340 -0.000 0.000 0.284 498 L C 0.848 177.285 176.870 -0.721 0.000 1.028 498 L CA 0.253 54.800 54.840 -0.488 0.000 0.835 498 L CB 1.375 43.211 42.059 -0.371 0.000 1.215 498 L HN 0.744 nan 8.230 nan 0.000 0.425 499 A N 4.901 127.094 122.820 -1.045 0.000 1.940 499 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 499 A C 1.377 178.351 177.584 -1.016 0.000 1.176 499 A CA 2.130 53.506 52.037 -1.102 0.000 0.631 499 A CB -0.806 17.213 19.000 -1.634 0.000 0.814 499 A HN 0.825 nan 8.150 nan 0.000 0.446 500 F N -1.611 117.772 119.950 -0.945 0.000 2.727 500 F HA 0.528 5.054 4.527 -0.000 0.000 0.302 500 F C 0.451 176.034 175.800 -0.362 0.000 1.097 500 F CA -0.621 56.894 58.000 -0.808 0.000 1.330 500 F CB -1.221 37.189 39.000 -0.984 0.000 1.084 500 F HN 0.011 nan 8.300 nan 0.000 0.578 501 S N 0.406 115.995 115.700 -0.185 0.000 3.661 501 S HA -0.195 4.275 4.470 -0.000 0.000 0.772 501 S C 0.693 175.365 174.600 0.119 0.000 1.194 501 S CA -0.089 58.096 58.200 -0.025 0.000 1.148 501 S CB -0.368 62.848 63.200 0.026 0.000 0.564 501 S HN 0.495 nan 8.310 nan 0.000 0.482 502 Q N 0.216 120.076 119.800 0.100 0.000 2.124 502 Q HA -0.022 4.318 4.340 -0.000 0.000 0.202 502 Q C 1.179 177.355 176.000 0.294 0.000 0.977 502 Q CA 1.640 57.527 55.803 0.140 0.000 0.850 502 Q CB -0.057 28.702 28.738 0.034 0.000 0.901 502 Q HN 0.673 nan 8.270 nan 0.000 0.429 503 S N -0.201 115.668 115.700 0.282 0.000 2.451 503 S HA 0.215 4.685 4.470 -0.000 0.000 0.301 503 S C 0.786 175.561 174.600 0.293 0.000 1.116 503 S CA -0.270 58.094 58.200 0.273 0.000 1.093 503 S CB 1.225 64.581 63.200 0.261 0.000 1.017 503 S HN 0.253 nan 8.310 nan 0.000 0.482 504 S N 2.609 118.435 115.700 0.210 0.000 2.603 504 S HA 0.098 4.567 4.470 -0.000 0.000 0.220 504 S C 0.275 174.992 174.600 0.196 0.000 0.967 504 S CA -0.137 58.188 58.200 0.209 0.000 0.920 504 S CB -0.146 63.103 63.200 0.082 0.000 0.773 504 S HN 0.745 nan 8.310 nan 0.000 0.529 505 D N 2.374 122.835 120.400 0.102 0.000 2.280 505 D HA 0.296 4.936 4.640 -0.000 0.000 0.243 505 D C -2.059 173.973 176.300 -0.445 0.000 1.129 505 D CA -2.136 51.804 54.000 -0.100 0.000 0.848 505 D CB 1.920 42.687 40.800 -0.055 0.000 1.107 505 D HN -0.037 nan 8.370 nan 0.000 0.471 506 P HA -0.043 nan 4.420 nan 0.000 0.221 506 P C 1.016 177.955 177.300 -0.601 0.000 1.145 506 P CA 0.847 63.108 63.100 -1.397 0.000 0.795 506 P CB 0.314 31.563 31.700 -0.752 0.000 0.775 507 R N -1.026 119.283 120.500 -0.319 0.000 2.193 507 R HA 0.076 4.416 4.340 -0.000 0.000 0.213 507 R C 1.192 177.432 176.300 -0.100 0.000 1.055 507 R CA 0.239 56.244 56.100 -0.158 0.000 0.995 507 R CB -0.389 29.847 30.300 -0.106 0.000 0.893 507 R HN 0.116 nan 8.270 nan 0.000 0.459 508 S N 0.962 116.614 115.700 -0.081 0.000 2.562 508 S HA 0.084 4.553 4.470 -0.000 0.000 0.281 508 S C -1.686 172.888 174.600 -0.044 0.000 1.333 508 S CA -1.472 56.719 58.200 -0.016 0.000 1.052 508 S CB 0.953 64.202 63.200 0.081 0.000 0.884 508 S HN -0.075 nan 8.310 nan 0.000 0.506 509 P HA -0.043 nan 4.420 nan 0.000 0.223 509 P C 0.023 177.069 177.300 -0.422 0.000 1.144 509 P CA 1.095 63.983 63.100 -0.354 0.000 0.783 509 P CB 0.010 31.362 31.700 -0.581 0.000 0.771 510 H N -3.299 115.842 119.070 0.119 0.000 2.467 510 H HA 0.178 4.733 4.556 -0.000 0.000 0.275 510 H C 0.667 176.098 175.328 0.173 0.000 1.131 510 H CA -0.472 55.646 56.048 0.116 0.000 0.989 510 H CB -0.252 29.563 29.762 0.089 0.000 1.696 510 H HN 0.174 nan 8.280 nan 0.000 0.574 511 Y N 2.583 122.936 120.300 0.089 0.000 2.365 511 Y HA -0.055 4.494 4.550 -0.000 0.000 0.293 511 Y C 1.760 177.712 175.900 0.088 0.000 1.119 511 Y CA 1.143 59.294 58.100 0.084 0.000 1.203 511 Y CB 0.555 39.045 38.460 0.050 0.000 1.026 511 Y HN 0.180 nan 8.280 nan 0.000 0.549 512 R N -1.386 119.127 120.500 0.020 0.000 2.526 512 R HA 0.166 4.506 4.340 -0.000 0.000 0.346 512 R C 0.767 177.079 176.300 0.019 0.000 0.926 512 R CA 0.638 56.691 56.100 -0.079 0.000 1.147 512 R CB -0.560 29.670 30.300 -0.116 0.000 1.629 512 R HN 0.184 nan 8.270 nan 0.000 0.516 513 D N 1.864 122.306 120.400 0.071 0.000 2.117 513 D HA -0.219 4.421 4.640 -0.000 0.000 0.197 513 D C 1.537 177.876 176.300 0.065 0.000 0.987 513 D CA 1.247 55.297 54.000 0.083 0.000 0.829 513 D CB -0.198 40.682 40.800 0.132 0.000 0.961 513 D HN 0.392 nan 8.370 nan 0.000 0.460 514 Q N -0.397 119.427 119.800 0.040 0.000 2.389 514 Q HA 0.033 4.373 4.340 -0.000 0.000 0.204 514 Q C 1.815 177.841 176.000 0.043 0.000 0.944 514 Q CA 1.082 56.896 55.803 0.018 0.000 0.908 514 Q CB 0.076 28.781 28.738 -0.055 0.000 1.002 514 Q HN 0.337 nan 8.270 nan 0.000 0.493 515 T N 1.120 115.691 114.554 0.028 0.000 2.857 515 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 515 T C 1.401 176.197 174.700 0.160 0.000 1.048 515 T CA 1.041 63.196 62.100 0.092 0.000 1.139 515 T CB -0.060 68.828 68.868 0.034 0.000 0.874 515 T HN 0.326 nan 8.240 nan 0.000 0.455 516 E N 0.979 121.240 120.200 0.102 0.000 2.085 516 E HA -0.094 4.255 4.350 -0.000 0.000 0.194 516 E C 2.134 178.800 176.600 0.110 0.000 0.994 516 E CA 0.982 57.440 56.400 0.095 0.000 0.801 516 E CB -0.339 29.402 29.700 0.069 0.000 0.743 516 E HN 0.423 nan 8.360 nan 0.000 0.453 517 L N -0.179 121.116 121.223 0.119 0.000 2.093 517 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 517 L C 2.372 179.351 176.870 0.181 0.000 1.085 517 L CA 0.616 55.534 54.840 0.129 0.000 0.755 517 L CB -0.318 41.814 42.059 0.121 0.000 0.904 517 L HN 0.125 nan 8.230 nan 0.000 0.435 518 F N 0.335 120.334 119.950 0.082 0.000 2.134 518 F HA -0.256 4.271 4.527 -0.000 0.000 0.299 518 F C 2.830 178.724 175.800 0.157 0.000 1.097 518 F CA 1.620 59.695 58.000 0.125 0.000 1.264 518 F CB -0.303 38.747 39.000 0.082 0.000 1.001 518 F HN -0.032 nan 8.300 nan 0.000 0.479 519 S N 0.226 116.002 115.700 0.126 0.000 2.370 519 S HA -0.212 4.257 4.470 -0.000 0.000 0.226 519 S C 2.102 176.686 174.600 -0.027 0.000 1.033 519 S CA 1.470 59.697 58.200 0.046 0.000 1.011 519 S CB -0.322 62.939 63.200 0.101 0.000 0.852 519 S HN 0.483 nan 8.310 nan 0.000 0.457 520 R N 0.281 120.783 120.500 0.003 0.000 2.310 520 R HA 0.193 4.532 4.340 -0.000 0.000 0.202 520 R C 0.087 176.369 176.300 -0.030 0.000 0.933 520 R CA 0.261 56.358 56.100 -0.005 0.000 1.054 520 R CB -0.049 30.264 30.300 0.021 0.000 0.985 520 R HN 0.528 nan 8.270 nan 0.000 0.489 521 Q N 0.635 120.400 119.800 -0.058 0.000 2.451 521 Q HA -0.228 4.111 4.340 -0.000 0.000 0.305 521 Q C -0.964 175.047 176.000 0.019 0.000 1.345 521 Q CA 0.723 56.505 55.803 -0.036 0.000 0.854 521 Q CB -1.450 27.216 28.738 -0.120 0.000 1.162 521 Q HN 0.483 nan 8.270 nan 0.000 0.440 522 Q N 0.297 120.178 119.800 0.135 0.000 2.506 522 Q HA 0.205 4.544 4.340 -0.000 0.000 0.242 522 Q C -0.541 175.632 176.000 0.289 0.000 1.060 522 Q CA -0.533 55.343 55.803 0.122 0.000 0.826 522 Q CB 0.624 29.403 28.738 0.069 0.000 1.169 522 Q HN 0.165 nan 8.270 nan 0.000 0.521 523 W N 1.587 122.878 121.300 -0.015 0.000 2.126 523 W HA 0.208 4.868 4.660 -0.000 0.000 0.346 523 W C 0.576 177.076 176.519 -0.031 0.000 1.279 523 W CA -0.365 56.967 57.345 -0.022 0.000 1.259 523 W CB 0.348 29.783 29.460 -0.041 0.000 1.133 523 W HN 0.382 nan 8.180 nan 0.000 0.592 524 Q N 0.086 119.992 119.800 0.178 0.000 2.484 524 Q HA 0.358 4.697 4.340 -0.000 0.000 0.285 524 Q C -0.504 175.519 176.000 0.039 0.000 1.097 524 Q CA -0.916 54.936 55.803 0.083 0.000 0.802 524 Q CB 1.250 30.018 28.738 0.051 0.000 1.444 524 Q HN 0.248 nan 8.270 nan 0.000 0.429 525 T N 1.611 116.178 114.554 0.022 0.000 2.928 525 T HA 0.240 4.590 4.350 -0.000 0.000 0.305 525 T C 0.258 174.960 174.700 0.004 0.000 1.035 525 T CA 0.051 62.152 62.100 0.002 0.000 1.145 525 T CB -0.008 68.866 68.868 0.010 0.000 0.963 525 T HN 0.203 nan 8.240 nan 0.000 0.545 526 L N 6.292 127.513 121.223 -0.003 0.000 2.297 526 L HA 0.331 4.671 4.340 -0.000 0.000 0.277 526 L C -1.961 174.983 176.870 0.123 0.000 1.040 526 L CA -2.146 52.727 54.840 0.055 0.000 0.867 526 L CB 0.541 42.645 42.059 0.075 0.000 1.244 526 L HN 0.369 nan 8.230 nan 0.000 0.433 527 P HA 0.039 nan 4.420 nan 0.000 0.276 527 P C -0.299 177.110 177.300 0.181 0.000 1.235 527 P CA -0.007 63.167 63.100 0.124 0.000 0.772 527 P CB 1.510 33.255 31.700 0.077 0.000 0.871 528 F N 2.374 122.334 119.950 0.017 0.000 2.581 528 F HA 0.102 4.629 4.527 -0.001 0.000 0.278 528 F C 0.950 176.743 175.800 -0.010 0.000 1.000 528 F CA 0.289 58.230 58.000 -0.098 0.000 1.230 528 F CB -0.099 38.928 39.000 0.044 0.000 1.008 528 F HN 0.275 nan 8.300 nan 0.000 0.695 529 S N 0.846 116.551 115.700 0.008 0.000 2.593 529 S HA 0.081 4.551 4.470 -0.000 0.000 0.269 529 S C 0.760 175.329 174.600 -0.051 0.000 1.334 529 S CA -0.170 57.985 58.200 -0.074 0.000 1.015 529 S CB 0.773 64.002 63.200 0.048 0.000 0.912 529 S HN 0.291 nan 8.310 nan 0.000 0.541 530 D N 0.899 121.265 120.400 -0.056 0.000 2.149 530 D HA -0.137 4.503 4.640 -0.000 0.000 0.198 530 D C 1.985 178.283 176.300 -0.003 0.000 0.990 530 D CA 1.203 55.187 54.000 -0.027 0.000 0.839 530 D CB -0.308 40.473 40.800 -0.031 0.000 0.948 530 D HN 0.705 nan 8.370 nan 0.000 0.460 531 R N 0.812 121.315 120.500 0.006 0.000 2.083 531 R HA -0.169 4.171 4.340 -0.000 0.000 0.237 531 R C 2.126 178.440 176.300 0.023 0.000 1.137 531 R CA 1.433 57.543 56.100 0.016 0.000 0.951 531 R CB -0.050 30.263 30.300 0.022 0.000 0.851 531 R HN 0.236 nan 8.270 nan 0.000 0.434 532 Q N 0.067 119.886 119.800 0.033 0.000 2.084 532 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 532 Q C 2.271 178.293 176.000 0.036 0.000 0.978 532 Q CA 1.764 57.592 55.803 0.041 0.000 0.844 532 Q CB -0.089 28.688 28.738 0.065 0.000 0.898 532 Q HN 0.431 nan 8.270 nan 0.000 0.426 533 I N 0.687 121.278 120.570 0.034 0.000 2.179 533 I HA -0.265 3.904 4.170 -0.000 0.000 0.242 533 I C 1.889 178.019 176.117 0.021 0.000 1.088 533 I CA 1.311 62.631 61.300 0.033 0.000 1.357 533 I CB -0.169 37.852 38.000 0.034 0.000 1.051 533 I HN 0.166 nan 8.210 nan 0.000 0.409 534 D N 0.650 121.059 120.400 0.015 0.000 2.219 534 D HA -0.101 4.538 4.640 -0.000 0.000 0.205 534 D C 2.055 178.364 176.300 0.014 0.000 0.970 534 D CA 1.049 55.056 54.000 0.012 0.000 0.851 534 D CB 0.125 40.930 40.800 0.007 0.000 0.943 534 D HN 0.313 nan 8.370 nan 0.000 0.488 535 A N -0.245 122.586 122.820 0.018 0.000 2.167 535 A HA -0.045 4.274 4.320 -0.000 0.000 0.214 535 A C 1.053 178.649 177.584 0.019 0.000 1.151 535 A CA 0.248 52.295 52.037 0.018 0.000 0.735 535 A CB -0.126 18.885 19.000 0.019 0.000 0.802 535 A HN 0.139 nan 8.150 nan 0.000 0.467 536 D N 0.246 120.658 120.400 0.021 0.000 2.358 536 D HA 0.177 4.817 4.640 -0.000 0.000 0.258 536 D C -1.701 174.612 176.300 0.022 0.000 1.223 536 D CA -1.677 52.337 54.000 0.022 0.000 0.886 536 D CB 1.184 41.998 40.800 0.023 0.000 1.120 536 D HN 0.054 nan 8.370 nan 0.000 0.482 537 P HA -0.070 nan 4.420 nan 0.000 0.225 537 P C 0.798 178.115 177.300 0.027 0.000 1.148 537 P CA 0.669 63.783 63.100 0.023 0.000 0.779 537 P CB 0.370 32.084 31.700 0.023 0.000 0.780 538 Q N -0.904 118.915 119.800 0.031 0.000 2.360 538 Q HA 0.108 4.448 4.340 -0.000 0.000 0.202 538 Q C 0.479 176.501 176.000 0.036 0.000 0.915 538 Q CA -0.337 55.489 55.803 0.039 0.000 0.943 538 Q CB -0.458 28.311 28.738 0.051 0.000 1.064 538 Q HN 0.265 nan 8.270 nan 0.000 0.511 539 L N 2.125 123.364 121.223 0.026 0.000 2.559 539 L HA -0.072 4.268 4.340 -0.000 0.000 0.274 539 L C -0.297 176.587 176.870 0.023 0.000 1.205 539 L CA 1.004 55.856 54.840 0.021 0.000 0.907 539 L CB 0.272 42.341 42.059 0.017 0.000 1.153 539 L HN 0.052 nan 8.230 nan 0.000 0.490 540 Q N 5.268 125.081 119.800 0.023 0.000 2.413 540 Q HA 0.609 4.948 4.340 -0.000 0.000 0.276 540 Q C -1.083 174.926 176.000 0.015 0.000 1.099 540 Q CA -0.974 54.843 55.803 0.023 0.000 0.814 540 Q CB 2.801 31.560 28.738 0.035 0.000 1.379 540 Q HN 0.627 nan 8.270 nan 0.000 0.436 541 R N 1.476 121.983 120.500 0.012 0.000 2.673 541 R HA 0.660 4.999 4.340 -0.000 0.000 0.281 541 R C -2.126 174.178 176.300 0.006 0.000 0.991 541 R CA -0.682 55.421 56.100 0.005 0.000 0.896 541 R CB 1.392 31.692 30.300 0.000 0.000 1.201 541 R HN 0.537 nan 8.270 nan 0.000 0.457 542 L N 1.920 123.146 121.223 0.004 0.000 2.464 542 L HA 0.529 4.868 4.340 -0.000 0.000 0.266 542 L C -1.584 175.286 176.870 -0.001 0.000 0.965 542 L CA -0.034 54.809 54.840 0.004 0.000 0.833 542 L CB 2.651 44.715 42.059 0.009 0.000 1.296 542 L HN 0.590 nan 8.230 nan 0.000 0.405 543 S N 5.511 121.209 115.700 -0.003 0.000 2.475 543 S HA 0.845 5.315 4.470 -0.000 0.000 0.298 543 S C -0.538 174.060 174.600 -0.004 0.000 1.119 543 S CA -0.507 57.690 58.200 -0.006 0.000 1.085 543 S CB 1.077 64.273 63.200 -0.007 0.000 1.028 543 S HN 0.620 nan 8.310 nan 0.000 0.489 544 I N 0.563 121.130 120.570 -0.005 0.000 2.730 544 I HA 0.873 5.043 4.170 -0.000 0.000 0.298 544 I C -0.735 175.378 176.117 -0.006 0.000 1.089 544 I CA -1.282 60.015 61.300 -0.004 0.000 1.041 544 I CB 2.214 40.212 38.000 -0.003 0.000 1.235 544 I HN 0.710 nan 8.210 nan 0.000 0.423 545 R N 2.943 123.440 120.500 -0.005 0.000 2.739 545 R HA 0.827 5.166 4.340 -0.000 0.000 0.271 545 R C -1.528 174.769 176.300 -0.006 0.000 1.010 545 R CA -0.745 55.352 56.100 -0.006 0.000 0.897 545 R CB 2.354 32.651 30.300 -0.005 0.000 1.236 545 R HN 0.904 nan 8.270 nan 0.000 0.466 546 E N 0.000 120.196 120.200 -0.006 0.000 2.725 546 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 546 E CA 0.000 56.396 56.400 -0.006 0.000 0.976 546 E CB 0.000 29.696 29.700 -0.007 0.000 0.812 546 E HN 0.000 nan 8.360 nan 0.000 0.440