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 2wyd_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 0.000 174.347 174.600 -0.422 0.000 1.055 1 S CA 0.000 57.858 58.200 -0.571 0.000 1.107 1 S CB 0.000 63.107 63.200 -0.156 0.000 0.593 2 N N 0.273 118.657 118.700 -0.526 0.000 2.272 2 N HA 0.851 5.590 4.740 -0.001 0.000 0.305 2 N C -1.146 174.278 175.510 -0.142 0.000 1.103 2 N CA -0.509 52.355 53.050 -0.310 0.000 0.791 2 N CB 2.183 40.260 38.487 -0.682 0.000 1.356 2 N HN 1.143 nan 8.380 nan 0.000 0.486 3 A N 1.295 124.120 122.820 0.007 0.000 2.488 3 A HA 0.745 5.064 4.320 -0.001 0.000 0.298 3 A C -1.170 176.486 177.584 0.120 0.000 1.044 3 A CA -0.559 51.507 52.037 0.048 0.000 0.693 3 A CB 0.924 19.964 19.000 0.066 0.000 1.272 3 A HN 0.589 nan 8.150 nan 0.000 0.402 4 I N 1.615 122.251 120.570 0.109 0.000 2.499 4 I HA 0.605 4.775 4.170 -0.001 0.000 0.288 4 I C 0.205 176.386 176.117 0.108 0.000 1.048 4 I CA -0.561 60.812 61.300 0.121 0.000 1.062 4 I CB 2.192 40.248 38.000 0.093 0.000 1.238 4 I HN 0.761 nan 8.210 nan 0.000 0.426 5 A N 6.446 129.353 122.820 0.145 0.000 2.303 5 A HA 0.835 5.155 4.320 -0.001 0.000 0.320 5 A C -0.758 176.922 177.584 0.160 0.000 1.192 5 A CA -0.517 51.603 52.037 0.138 0.000 0.821 5 A CB 1.241 20.327 19.000 0.143 0.000 1.188 5 A HN 0.433 nan 8.150 nan 0.000 0.492 6 V N 2.158 122.151 119.914 0.130 0.000 2.513 6 V HA 0.759 4.878 4.120 -0.001 0.000 0.299 6 V C 0.913 177.075 176.094 0.114 0.000 1.035 6 V CA 0.061 62.441 62.300 0.134 0.000 0.889 6 V CB 1.658 33.533 31.823 0.088 0.000 0.988 6 V HN 1.143 nan 8.190 nan 0.000 0.440 7 G N 1.380 110.242 108.800 0.103 0.000 2.887 7 G HA2 0.459 4.419 3.960 -0.001 0.000 0.277 7 G HA3 0.459 4.419 3.960 -0.001 0.000 0.277 7 G C 1.010 175.945 174.900 0.059 0.000 1.346 7 G CA 0.277 45.421 45.100 0.073 0.000 1.058 7 G HN 0.813 nan 8.290 nan 0.000 0.535 8 S N -1.105 114.620 115.700 0.041 0.000 2.419 8 S HA -0.133 4.337 4.470 -0.001 0.000 0.235 8 S C 1.565 176.182 174.600 0.028 0.000 1.019 8 S CA 1.818 60.037 58.200 0.032 0.000 0.982 8 S CB -0.227 62.984 63.200 0.019 0.000 0.789 8 S HN 0.651 nan 8.310 nan 0.000 0.490 9 E N 0.225 120.441 120.200 0.028 0.000 2.427 9 E HA 0.102 4.452 4.350 -0.001 0.000 0.196 9 E C 1.802 178.422 176.600 0.034 0.000 1.028 9 E CA 0.317 56.732 56.400 0.024 0.000 0.864 9 E CB 0.174 29.884 29.700 0.017 0.000 0.813 9 E HN 0.303 nan 8.360 nan 0.000 0.514 10 R N -0.625 119.904 120.500 0.049 0.000 2.513 10 R HA 0.193 4.533 4.340 -0.001 0.000 0.245 10 R C 0.588 176.908 176.300 0.034 0.000 0.908 10 R CA 0.032 56.163 56.100 0.052 0.000 1.023 10 R CB 0.494 30.854 30.300 0.100 0.000 1.338 10 R HN -0.104 nan 8.270 nan 0.000 0.575 11 S N 0.480 116.203 115.700 0.038 0.000 2.576 11 S HA 0.321 4.790 4.470 -0.001 0.000 0.276 11 S C 1.340 175.950 174.600 0.016 0.000 1.339 11 S CA 0.292 58.510 58.200 0.028 0.000 1.039 11 S CB 1.354 64.581 63.200 0.046 0.000 0.902 11 S HN 0.342 nan 8.310 nan 0.000 0.516 12 A N 2.927 125.749 122.820 0.004 0.000 2.015 12 A HA -0.070 4.249 4.320 -0.001 0.000 0.219 12 A C 1.425 179.012 177.584 0.005 0.000 1.163 12 A CA 1.735 53.770 52.037 -0.002 0.000 0.646 12 A CB -0.474 18.517 19.000 -0.014 0.000 0.806 12 A HN 0.919 nan 8.150 nan 0.000 0.448 13 D N -2.991 117.418 120.400 0.015 0.000 2.369 13 D HA 0.289 4.929 4.640 -0.001 0.000 0.211 13 D C 1.138 177.457 176.300 0.031 0.000 1.077 13 D CA 0.769 54.783 54.000 0.023 0.000 0.842 13 D CB -0.536 40.282 40.800 0.030 0.000 0.947 13 D HN 0.707 nan 8.370 nan 0.000 0.509 14 G N 0.176 108.995 108.800 0.031 0.000 2.148 14 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.254 14 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.254 14 G C 0.240 175.166 174.900 0.042 0.000 0.981 14 G CA 0.631 45.750 45.100 0.031 0.000 0.670 14 G HN 0.515 nan 8.290 nan 0.000 0.528 15 K N -0.512 119.926 120.400 0.064 0.000 2.307 15 K HA 0.662 4.982 4.320 -0.001 0.000 0.239 15 K C 0.936 177.610 176.600 0.123 0.000 1.083 15 K CA -0.477 55.865 56.287 0.091 0.000 0.913 15 K CB 0.895 33.475 32.500 0.133 0.000 1.322 15 K HN 0.266 nan 8.250 nan 0.000 0.514 16 G N 0.444 109.352 108.800 0.179 0.000 2.507 16 G HA2 0.489 4.449 3.960 -0.001 0.000 0.271 16 G HA3 0.489 4.449 3.960 -0.001 0.000 0.271 16 G C -0.888 174.192 174.900 0.300 0.000 1.189 16 G CA -0.290 44.943 45.100 0.223 0.000 0.859 16 G HN 0.489 nan 8.290 nan 0.000 0.542 17 M N 0.916 120.633 119.600 0.194 0.000 2.413 17 M HA 0.624 5.104 4.480 -0.001 0.000 0.287 17 M C -2.328 174.015 176.300 0.072 0.000 1.186 17 M CA -0.892 54.461 55.300 0.089 0.000 0.927 17 M CB 2.275 34.895 32.600 0.033 0.000 1.715 17 M HN 0.498 nan 8.290 nan 0.000 0.478 18 L N 4.729 125.953 121.223 0.001 0.000 2.438 18 L HA 0.687 5.027 4.340 -0.001 0.000 0.270 18 L C -2.182 174.653 176.870 -0.058 0.000 0.972 18 L CA -0.514 54.325 54.840 -0.000 0.000 0.831 18 L CB 2.039 44.108 42.059 0.016 0.000 1.273 18 L HN 0.800 nan 8.230 nan 0.000 0.405 19 L N 5.243 126.455 121.223 -0.019 0.000 2.272 19 L HA 0.874 5.213 4.340 -0.001 0.000 0.289 19 L C -0.467 176.358 176.870 -0.075 0.000 1.032 19 L CA -0.017 54.804 54.840 -0.030 0.000 0.810 19 L CB 1.307 43.405 42.059 0.064 0.000 1.205 19 L HN 0.757 nan 8.230 nan 0.000 0.422 20 A N 4.809 127.519 122.820 -0.184 0.000 2.273 20 A HA 0.487 4.806 4.320 -0.001 0.000 0.315 20 A C -0.286 177.120 177.584 -0.297 0.000 1.256 20 A CA -0.534 51.356 52.037 -0.245 0.000 0.851 20 A CB 0.194 18.992 19.000 -0.336 0.000 1.172 20 A HN 0.837 nan 8.150 nan 0.000 0.508 21 N N 4.146 122.701 118.700 -0.242 0.000 2.703 21 N HA 0.221 4.961 4.740 -0.001 0.000 0.283 21 N C -2.982 172.333 175.510 -0.324 0.000 1.851 21 N CA -1.403 51.504 53.050 -0.239 0.000 0.826 21 N CB 1.522 39.924 38.487 -0.142 0.000 1.239 21 N HN 0.368 nan 8.380 nan 0.000 0.495 22 P HA 0.024 nan 4.420 nan 0.000 0.268 22 P C -1.098 176.247 177.300 0.075 0.000 1.205 22 P CA 0.568 63.576 63.100 -0.152 0.000 0.771 22 P CB 0.626 32.249 31.700 -0.129 0.000 0.858 23 H N 1.945 121.176 119.070 0.269 0.000 2.718 23 H HA 0.483 5.039 4.556 -0.001 0.000 0.295 23 H C -0.571 175.126 175.328 0.615 0.000 1.051 23 H CA -0.416 55.849 56.048 0.362 0.000 1.260 23 H CB 0.420 30.325 29.762 0.239 0.000 1.403 23 H HN 0.313 nan 8.280 nan 0.000 0.488 24 F N 2.224 122.455 119.950 0.469 0.000 2.664 24 F HA 0.374 4.900 4.527 -0.000 0.000 0.317 24 F C -2.411 173.630 175.800 0.402 0.000 1.108 24 F CA -2.768 55.467 58.000 0.391 0.000 0.957 24 F CB 1.947 41.211 39.000 0.440 0.000 1.365 24 F HN 0.286 nan 8.300 nan 0.000 0.475 25 P HA -0.030 nan 4.420 nan 0.000 0.269 25 P C -0.261 177.178 177.300 0.232 0.000 1.215 25 P CA 0.405 63.592 63.100 0.146 0.000 0.780 25 P CB 0.464 32.117 31.700 -0.079 0.000 0.898 26 W N 1.114 122.318 121.300 -0.159 0.000 3.290 26 W HA 0.155 4.814 4.660 -0.001 0.000 0.287 26 W C 0.191 176.397 176.519 -0.522 0.000 1.288 26 W CA 0.512 57.604 57.345 -0.423 0.000 1.725 26 W CB -0.220 29.191 29.460 -0.082 0.000 1.103 26 W HN 0.281 nan 8.180 nan 0.000 0.670 27 N N -1.314 117.303 118.700 -0.139 0.000 2.610 27 N HA 0.525 5.265 4.740 -0.001 0.000 0.264 27 N C 0.226 175.663 175.510 -0.121 0.000 1.348 27 N CA 0.357 53.328 53.050 -0.131 0.000 0.819 27 N CB 1.863 40.327 38.487 -0.039 0.000 1.521 27 N HN -0.013 nan 8.380 nan 0.000 0.497 28 G N 0.286 109.026 108.800 -0.101 0.000 2.545 28 G HA2 -0.117 3.843 3.960 -0.001 0.000 0.216 28 G HA3 -0.117 3.843 3.960 -0.001 0.000 0.216 28 G C 0.407 175.251 174.900 -0.093 0.000 1.314 28 G CA 0.153 45.201 45.100 -0.086 0.000 0.906 28 G HN 0.763 nan 8.290 nan 0.000 0.563 29 A N -0.664 122.104 122.820 -0.087 0.000 2.209 29 A HA 0.401 4.721 4.320 -0.001 0.000 0.212 29 A C 1.927 179.460 177.584 -0.085 0.000 1.158 29 A CA 2.042 54.033 52.037 -0.077 0.000 0.742 29 A CB -0.341 18.623 19.000 -0.060 0.000 0.790 29 A HN 0.712 nan 8.150 nan 0.000 0.472 30 M N -0.678 118.853 119.600 -0.114 0.000 2.685 30 M HA 0.190 4.669 4.480 -0.001 0.000 0.355 30 M C 0.428 176.669 176.300 -0.099 0.000 1.197 30 M CA -0.136 55.099 55.300 -0.109 0.000 0.947 30 M CB 0.357 32.820 32.600 -0.228 0.000 1.346 30 M HN 0.212 nan 8.290 nan 0.000 0.516 31 R N 1.106 121.537 120.500 -0.116 0.000 2.242 31 R HA 0.246 4.586 4.340 -0.001 0.000 0.334 31 R C -0.866 175.475 176.300 0.067 0.000 1.071 31 R CA -0.259 55.768 56.100 -0.121 0.000 0.922 31 R CB 0.377 30.541 30.300 -0.226 0.000 1.023 31 R HN -0.006 nan 8.270 nan 0.000 0.458 32 F N 3.754 123.909 119.950 0.341 0.000 2.595 32 F HA -0.001 4.526 4.527 -0.000 0.000 0.359 32 F C 0.141 176.119 175.800 0.298 0.000 1.147 32 F CA 0.965 59.136 58.000 0.285 0.000 1.341 32 F CB 0.275 39.418 39.000 0.238 0.000 1.104 32 F HN 0.439 nan 8.300 nan 0.000 0.603 33 Y N 2.445 122.887 120.300 0.237 0.000 2.433 33 Y HA 0.324 4.874 4.550 -0.000 0.000 0.337 33 Y C -0.903 174.963 175.900 -0.058 0.000 1.026 33 Y CA -1.083 57.065 58.100 0.080 0.000 1.037 33 Y CB 1.148 39.640 38.460 0.053 0.000 1.245 33 Y HN 0.572 nan 8.280 nan 0.000 0.443 34 Q N 6.834 126.263 119.800 -0.617 0.000 2.293 34 Q HA 0.612 4.952 4.340 -0.001 0.000 0.251 34 Q C -0.700 175.004 176.000 -0.493 0.000 0.930 34 Q CA -0.451 55.027 55.803 -0.542 0.000 0.893 34 Q CB 1.613 30.090 28.738 -0.435 0.000 1.215 34 Q HN 0.759 nan 8.270 nan 0.000 0.425 35 M N -0.197 119.272 119.600 -0.218 0.000 2.603 35 M HA 0.417 4.897 4.480 -0.001 0.000 0.275 35 M C -1.924 174.405 176.300 0.049 0.000 1.226 35 M CA -0.924 54.344 55.300 -0.053 0.000 0.870 35 M CB 2.547 35.195 32.600 0.080 0.000 1.716 35 M HN 0.710 nan 8.290 nan 0.000 0.482 36 H N 2.516 121.572 119.070 -0.024 0.000 2.547 36 H HA 0.715 5.270 4.556 -0.001 0.000 0.342 36 H C -2.074 173.270 175.328 0.027 0.000 1.048 36 H CA -0.840 55.212 56.048 0.006 0.000 1.204 36 H CB 1.503 31.276 29.762 0.020 0.000 1.493 36 H HN 0.754 nan 8.280 nan 0.000 0.511 37 L N 5.174 126.493 121.223 0.160 0.000 2.313 37 L HA 0.392 4.732 4.340 -0.001 0.000 0.283 37 L C -0.575 176.304 176.870 0.014 0.000 1.013 37 L CA -0.621 54.248 54.840 0.049 0.000 0.816 37 L CB 2.027 44.169 42.059 0.138 0.000 1.236 37 L HN 0.671 nan 8.230 nan 0.000 0.419 38 T N 4.019 118.522 114.554 -0.084 0.000 2.937 38 T HA 0.543 4.893 4.350 -0.001 0.000 0.297 38 T C -0.300 174.388 174.700 -0.020 0.000 0.991 38 T CA -0.259 61.802 62.100 -0.064 0.000 0.990 38 T CB 1.560 70.317 68.868 -0.184 0.000 0.991 38 T HN 0.300 nan 8.240 nan 0.000 0.440 39 I N 4.662 125.246 120.570 0.023 0.000 2.371 39 I HA 0.291 4.461 4.170 -0.001 0.000 0.282 39 I C -2.367 173.759 176.117 0.015 0.000 1.031 39 I CA -2.522 58.793 61.300 0.025 0.000 1.180 39 I CB 1.496 39.531 38.000 0.058 0.000 1.336 39 I HN 0.260 nan 8.210 nan 0.000 0.467 40 P HA 0.037 nan 4.420 nan 0.000 0.261 40 P C 0.946 178.251 177.300 0.008 0.000 1.183 40 P CA 0.890 63.988 63.100 -0.004 0.000 0.761 40 P CB 0.614 32.307 31.700 -0.012 0.000 0.785 41 G N 3.646 112.454 108.800 0.013 0.000 2.259 41 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.217 41 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.217 41 G C 0.770 175.683 174.900 0.021 0.000 1.001 41 G CA 0.326 45.436 45.100 0.017 0.000 0.627 41 G HN 0.654 nan 8.290 nan 0.000 0.501 42 R N -1.295 119.218 120.500 0.022 0.000 2.580 42 R HA 0.636 4.976 4.340 -0.001 0.000 0.285 42 R C -0.020 176.286 176.300 0.009 0.000 0.947 42 R CA 0.202 56.311 56.100 0.014 0.000 1.102 42 R CB 0.398 30.705 30.300 0.010 0.000 1.696 42 R HN 0.833 nan 8.270 nan 0.000 0.506 43 L N 1.459 122.700 121.223 0.030 0.000 2.505 43 L HA 0.577 4.917 4.340 -0.001 0.000 0.266 43 L C -2.296 174.625 176.870 0.084 0.000 0.954 43 L CA -0.241 54.625 54.840 0.042 0.000 0.852 43 L CB 2.573 44.663 42.059 0.051 0.000 1.282 43 L HN 0.157 nan 8.230 nan 0.000 0.403 44 D N 3.738 124.222 120.400 0.140 0.000 2.354 44 D HA 0.506 5.146 4.640 -0.001 0.000 0.230 44 D C -2.005 174.525 176.300 0.383 0.000 1.361 44 D CA 0.088 54.229 54.000 0.235 0.000 0.992 44 D CB 1.755 42.666 40.800 0.184 0.000 1.409 44 D HN 0.397 nan 8.370 nan 0.000 0.573 45 V N 4.392 124.539 119.914 0.389 0.000 2.932 45 V HA 0.762 4.882 4.120 -0.001 0.000 0.307 45 V C -1.547 174.649 176.094 0.170 0.000 1.147 45 V CA -0.612 61.830 62.300 0.237 0.000 0.951 45 V CB 2.057 34.022 31.823 0.235 0.000 1.031 45 V HN 0.612 nan 8.190 nan 0.000 0.426 46 M N 5.156 124.575 119.600 -0.303 0.000 2.446 46 M HA 0.850 5.330 4.480 -0.001 0.000 0.294 46 M C -0.219 175.817 176.300 -0.440 0.000 1.158 46 M CA 0.487 55.554 55.300 -0.388 0.000 0.899 46 M CB 2.086 34.281 32.600 -0.675 0.000 1.687 46 M HN 1.045 nan 8.290 nan 0.000 0.455 47 G N 2.067 110.727 108.800 -0.234 0.000 2.586 47 G HA2 0.697 4.657 3.960 -0.001 0.000 0.105 47 G HA3 0.697 4.657 3.960 -0.001 0.000 0.105 47 G C -2.143 172.411 174.900 -0.576 0.000 1.129 47 G CA 0.041 44.966 45.100 -0.292 0.000 1.127 47 G HN 1.103 nan 8.290 nan 0.000 0.532 48 A N -1.190 121.217 122.820 -0.688 0.000 2.556 48 A HA 0.945 5.265 4.320 -0.001 0.000 0.294 48 A C -0.585 176.970 177.584 -0.048 0.000 1.091 48 A CA 0.203 51.899 52.037 -0.568 0.000 0.704 48 A CB 1.583 19.860 19.000 -1.206 0.000 1.300 48 A HN 1.557 nan 8.150 nan 0.000 0.406 49 S N -0.431 115.389 115.700 0.201 0.000 2.607 49 S HA 0.666 5.136 4.470 -0.001 0.000 0.273 49 S C -0.820 173.844 174.600 0.107 0.000 1.148 49 S CA -0.613 57.692 58.200 0.176 0.000 0.833 49 S CB 1.194 64.439 63.200 0.075 0.000 1.130 49 S HN 0.649 nan 8.310 nan 0.000 0.470 50 L N 1.813 122.973 121.223 -0.105 0.000 2.439 50 L HA 0.417 4.757 4.340 -0.001 0.000 0.261 50 L C -2.375 174.445 176.870 -0.084 0.000 1.153 50 L CA -2.173 52.563 54.840 -0.173 0.000 0.808 50 L CB 0.137 42.073 42.059 -0.205 0.000 1.126 50 L HN 0.323 nan 8.230 nan 0.000 0.460 51 P HA 0.048 nan 4.420 nan 0.000 0.264 51 P C 0.639 177.891 177.300 -0.079 0.000 1.193 51 P CA 0.813 63.860 63.100 -0.089 0.000 0.763 51 P CB 0.688 32.337 31.700 -0.086 0.000 0.810 52 G N 2.224 110.972 108.800 -0.086 0.000 2.195 52 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.246 52 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.246 52 G C -0.168 174.701 174.900 -0.053 0.000 0.984 52 G CA -0.406 44.654 45.100 -0.067 0.000 0.633 52 G HN 0.459 nan 8.290 nan 0.000 0.525 53 L N 1.810 123.001 121.223 -0.053 0.000 2.264 53 L HA 0.426 4.765 4.340 -0.001 0.000 0.289 53 L C -1.501 175.357 176.870 -0.019 0.000 1.044 53 L CA -1.904 52.911 54.840 -0.042 0.000 0.807 53 L CB 1.467 43.482 42.059 -0.073 0.000 1.192 53 L HN -0.049 nan 8.230 nan 0.000 0.425 54 P HA 0.103 nan 4.420 nan 0.000 0.235 54 P C -0.571 176.745 177.300 0.026 0.000 1.725 54 P CA 0.089 63.183 63.100 -0.010 0.000 0.894 54 P CB 0.071 31.741 31.700 -0.050 0.000 1.704 55 V N -3.961 115.998 119.914 0.075 0.000 3.159 55 V HA 0.530 4.649 4.120 -0.001 0.000 0.308 55 V C -0.443 175.750 176.094 0.166 0.000 1.190 55 V CA -1.244 61.162 62.300 0.177 0.000 1.037 55 V CB 2.031 34.002 31.823 0.247 0.000 1.060 55 V HN -0.260 nan 8.190 nan 0.000 0.437 56 V N 2.419 122.490 119.914 0.261 0.000 2.432 56 V HA 0.326 4.445 4.120 -0.001 0.000 0.275 56 V C 0.874 177.186 176.094 0.362 0.000 1.043 56 V CA 0.195 62.648 62.300 0.255 0.000 0.925 56 V CB 0.387 32.384 31.823 0.290 0.000 0.985 56 V HN 1.018 nan 8.190 nan 0.000 0.466 57 N N 3.625 122.412 118.700 0.144 0.000 2.305 57 N HA 0.278 5.017 4.740 -0.001 0.000 0.179 57 N C 0.020 175.823 175.510 0.489 0.000 1.019 57 N CA 0.544 53.613 53.050 0.031 0.000 0.869 57 N CB 0.365 38.706 38.487 -0.242 0.000 1.000 57 N HN 0.538 nan 8.380 nan 0.000 0.431 58 I N 0.201 120.816 120.570 0.075 0.000 2.466 58 I HA 0.531 4.700 4.170 -0.001 0.000 0.289 58 I C 0.069 175.781 176.117 -0.675 0.000 1.026 58 I CA -0.652 60.410 61.300 -0.396 0.000 1.078 58 I CB 2.046 39.902 38.000 -0.240 0.000 1.249 58 I HN 0.093 nan 8.210 nan 0.000 0.429 59 G N 5.199 113.135 108.800 -1.440 0.000 2.435 59 G HA2 0.645 4.604 3.960 -0.001 0.000 0.296 59 G HA3 0.645 4.604 3.960 -0.001 0.000 0.296 59 G C -1.772 172.771 174.900 -0.594 0.000 1.240 59 G CA -0.462 44.136 45.100 -0.836 0.000 0.872 59 G HN 0.547 nan 8.290 nan 0.000 0.480 60 F N -0.702 119.054 119.950 -0.323 0.000 2.713 60 F HA 0.882 5.409 4.527 -0.001 0.000 0.311 60 F C -0.147 175.600 175.800 -0.087 0.000 1.141 60 F CA -0.552 57.387 58.000 -0.102 0.000 0.939 60 F CB 1.423 40.279 39.000 -0.241 0.000 1.325 60 F HN 1.053 nan 8.300 nan 0.000 0.453 61 S N 0.548 116.294 115.700 0.076 0.000 2.911 61 S HA 0.489 4.958 4.470 -0.001 0.000 0.319 61 S C 0.629 175.273 174.600 0.074 0.000 1.154 61 S CA -0.557 57.619 58.200 -0.040 0.000 0.857 61 S CB 1.681 64.971 63.200 0.150 0.000 1.279 61 S HN 1.043 nan 8.310 nan 0.000 0.593 62 R N 0.052 120.623 120.500 0.118 0.000 2.091 62 R HA -0.099 4.240 4.340 -0.001 0.000 0.238 62 R C 1.076 177.284 176.300 -0.154 0.000 1.136 62 R CA 1.987 58.087 56.100 -0.000 0.000 0.959 62 R CB -0.327 29.851 30.300 -0.202 0.000 0.856 62 R HN 0.751 nan 8.270 nan 0.000 0.437 63 H N -1.972 117.159 119.070 0.102 0.000 2.893 63 H HA 0.211 4.766 4.556 -0.000 0.000 0.270 63 H C -0.649 174.432 175.328 -0.411 0.000 1.095 63 H CA -0.178 55.749 56.048 -0.202 0.000 1.186 63 H CB 0.867 30.538 29.762 -0.151 0.000 1.562 63 H HN 0.087 nan 8.280 nan 0.000 0.536 64 L N 0.934 122.227 121.223 0.116 0.000 2.422 64 L HA 0.727 5.066 4.340 -0.001 0.000 0.264 64 L C -1.356 175.834 176.870 0.534 0.000 0.984 64 L CA -0.817 54.160 54.840 0.228 0.000 0.819 64 L CB 1.940 44.117 42.059 0.197 0.000 1.330 64 L HN 0.011 nan 8.230 nan 0.000 0.410 65 A N 3.309 126.449 122.820 0.533 0.000 2.414 65 A HA 0.887 5.207 4.320 -0.001 0.000 0.306 65 A C -1.902 175.903 177.584 0.368 0.000 1.054 65 A CA -0.322 51.959 52.037 0.405 0.000 0.724 65 A CB 1.009 20.140 19.000 0.218 0.000 1.267 65 A HN 1.025 nan 8.150 nan 0.000 0.418 66 W N 0.741 122.084 121.300 0.072 0.000 3.118 66 W HA 0.805 5.465 4.660 -0.001 0.000 0.328 66 W C -0.787 175.679 176.519 -0.088 0.000 1.239 66 W CA -0.293 57.038 57.345 -0.023 0.000 1.176 66 W CB 1.059 30.487 29.460 -0.053 0.000 1.433 66 W HN 0.880 nan 8.180 nan 0.000 0.562 67 T N 0.207 114.631 114.554 -0.217 0.000 2.681 67 T HA 0.538 4.887 4.350 -0.001 0.000 0.296 67 T C -1.804 172.686 174.700 -0.350 0.000 1.157 67 T CA -0.489 61.400 62.100 -0.352 0.000 1.025 67 T CB 1.159 69.896 68.868 -0.218 0.000 1.441 67 T HN 0.671 nan 8.240 nan 0.000 0.504 68 H N 0.376 119.526 119.070 0.134 0.000 2.895 68 H HA 0.604 5.160 4.556 -0.000 0.000 0.373 68 H C -0.723 174.672 175.328 0.111 0.000 1.174 68 H CA -0.461 55.691 56.048 0.173 0.000 1.144 68 H CB 1.931 31.840 29.762 0.246 0.000 1.793 68 H HN 0.823 nan 8.280 nan 0.000 0.551 69 T N -1.639 113.087 114.554 0.287 0.000 2.912 69 T HA 0.361 4.711 4.350 -0.001 0.000 0.299 69 T C -0.172 174.709 174.700 0.302 0.000 1.052 69 T CA -0.832 61.408 62.100 0.232 0.000 0.996 69 T CB 1.379 70.359 68.868 0.187 0.000 1.070 69 T HN 0.220 nan 8.240 nan 0.000 0.465 70 V N 3.894 124.014 119.914 0.343 0.000 2.557 70 V HA 0.175 4.295 4.120 -0.001 0.000 0.301 70 V C 0.695 176.989 176.094 0.333 0.000 1.026 70 V CA 0.217 62.763 62.300 0.409 0.000 1.137 70 V CB -0.514 31.559 31.823 0.415 0.000 0.917 70 V HN 1.099 nan 8.190 nan 0.000 0.484 71 D N 3.015 123.632 120.400 0.362 0.000 2.466 71 D HA 0.290 4.930 4.640 -0.001 0.000 0.262 71 D C 0.937 177.405 176.300 0.279 0.000 1.177 71 D CA -0.018 54.169 54.000 0.312 0.000 1.035 71 D CB 0.884 41.870 40.800 0.309 0.000 1.105 71 D HN 0.531 nan 8.370 nan 0.000 0.551 72 T N -3.479 111.196 114.554 0.203 0.000 3.105 72 T HA 0.220 4.570 4.350 -0.001 0.000 0.253 72 T C 0.370 175.104 174.700 0.056 0.000 1.047 72 T CA -0.540 61.642 62.100 0.138 0.000 0.944 72 T CB -0.518 68.419 68.868 0.115 0.000 1.016 72 T HN 0.234 nan 8.240 nan 0.000 0.544 73 S N 2.246 117.963 115.700 0.028 0.000 2.585 73 S HA 0.438 4.908 4.470 -0.001 0.000 0.273 73 S C 0.330 174.677 174.600 -0.422 0.000 1.339 73 S CA -0.668 57.426 58.200 -0.176 0.000 1.028 73 S CB 0.912 64.001 63.200 -0.184 0.000 0.906 73 S HN 0.470 nan 8.310 nan 0.000 0.528 74 S N 1.678 117.110 115.700 -0.446 0.000 2.565 74 S HA 0.227 4.697 4.470 -0.001 0.000 0.274 74 S C 0.337 174.550 174.600 -0.645 0.000 1.309 74 S CA -0.625 57.276 58.200 -0.499 0.000 1.043 74 S CB 0.149 63.057 63.200 -0.487 0.000 0.939 74 S HN 0.700 nan 8.310 nan 0.000 0.504 75 H N 1.582 120.676 119.070 0.039 0.000 2.674 75 H HA 0.296 4.851 4.556 -0.001 0.000 0.274 75 H C -0.469 175.052 175.328 0.320 0.000 1.121 75 H CA -0.007 56.151 56.048 0.184 0.000 1.132 75 H CB 0.101 30.052 29.762 0.315 0.000 1.606 75 H HN 0.645 nan 8.280 nan 0.000 0.558 76 F N -0.579 119.447 119.950 0.126 0.000 2.741 76 F HA 0.557 5.084 4.527 -0.000 0.000 0.313 76 F C -0.975 174.923 175.800 0.163 0.000 1.153 76 F CA -1.252 56.888 58.000 0.233 0.000 0.931 76 F CB 1.339 40.467 39.000 0.214 0.000 1.335 76 F HN -0.157 nan 8.300 nan 0.000 0.460 77 T N 0.153 114.939 114.554 0.386 0.000 2.893 77 T HA 0.702 5.052 4.350 -0.001 0.000 0.293 77 T C -0.967 173.860 174.700 0.211 0.000 1.027 77 T CA -0.800 61.340 62.100 0.066 0.000 0.988 77 T CB 1.555 70.433 68.868 0.016 0.000 1.043 77 T HN 0.896 nan 8.240 nan 0.000 0.461 78 L N 2.334 123.602 121.223 0.076 0.000 2.417 78 L HA 0.428 4.768 4.340 -0.001 0.000 0.268 78 L C -0.802 175.973 176.870 -0.159 0.000 1.158 78 L CA -0.831 54.053 54.840 0.073 0.000 0.819 78 L CB 0.421 42.519 42.059 0.064 0.000 1.112 78 L HN 0.685 nan 8.230 nan 0.000 0.458 79 Y N 1.761 122.019 120.300 -0.071 0.000 2.331 79 Y HA 0.347 4.897 4.550 -0.001 0.000 0.334 79 Y C 0.105 175.839 175.900 -0.277 0.000 0.960 79 Y CA -0.639 57.296 58.100 -0.274 0.000 1.130 79 Y CB 1.510 39.545 38.460 -0.709 0.000 1.164 79 Y HN 0.451 nan 8.280 nan 0.000 0.458 80 R N 4.812 125.206 120.500 -0.177 0.000 2.316 80 R HA 0.392 4.732 4.340 -0.001 0.000 0.314 80 R C -1.270 174.827 176.300 -0.337 0.000 1.069 80 R CA -0.196 55.576 56.100 -0.546 0.000 0.959 80 R CB 0.215 30.266 30.300 -0.416 0.000 0.987 80 R HN 0.724 nan 8.270 nan 0.000 0.446 81 L N 3.874 124.856 121.223 -0.401 0.000 2.312 81 L HA 0.410 4.750 4.340 -0.001 0.000 0.281 81 L C 0.291 177.076 176.870 -0.142 0.000 1.070 81 L CA -0.796 53.923 54.840 -0.201 0.000 0.805 81 L CB 1.617 43.516 42.059 -0.267 0.000 1.174 81 L HN 0.696 nan 8.230 nan 0.000 0.434 82 A N 5.294 128.102 122.820 -0.021 0.000 2.279 82 A HA 0.533 4.853 4.320 -0.001 0.000 0.306 82 A C -0.100 177.513 177.584 0.049 0.000 1.300 82 A CA -0.495 51.543 52.037 0.001 0.000 0.925 82 A CB 0.020 19.030 19.000 0.017 0.000 1.152 82 A HN 0.658 nan 8.150 nan 0.000 0.544 83 L N 1.727 122.974 121.223 0.040 0.000 2.439 83 L HA 0.139 4.478 4.340 -0.001 0.000 0.269 83 L C 0.659 177.570 176.870 0.069 0.000 1.179 83 L CA -0.685 54.205 54.840 0.083 0.000 0.828 83 L CB 0.491 42.614 42.059 0.106 0.000 1.106 83 L HN 0.665 nan 8.230 nan 0.000 0.467 84 D N 4.148 124.592 120.400 0.073 0.000 2.434 84 D HA 0.003 4.643 4.640 -0.001 0.000 0.252 84 D C -1.477 174.849 176.300 0.044 0.000 1.185 84 D CA -1.506 52.518 54.000 0.041 0.000 0.886 84 D CB 1.299 42.118 40.800 0.031 0.000 1.148 84 D HN 0.241 nan 8.370 nan 0.000 0.483 85 P HA -0.127 nan 4.420 nan 0.000 0.223 85 P C 0.517 177.833 177.300 0.026 0.000 1.144 85 P CA 1.103 64.220 63.100 0.029 0.000 0.783 85 P CB 0.295 32.007 31.700 0.020 0.000 0.771 86 K N -1.287 119.127 120.400 0.023 0.000 2.379 86 K HA 0.076 4.395 4.320 -0.001 0.000 0.194 86 K C 0.307 176.922 176.600 0.025 0.000 1.031 86 K CA 0.246 56.545 56.287 0.019 0.000 1.037 86 K CB 0.314 32.822 32.500 0.012 0.000 0.824 86 K HN 0.021 nan 8.250 nan 0.000 0.516 87 D N -0.107 120.317 120.400 0.040 0.000 2.452 87 D HA 0.070 4.709 4.640 -0.001 0.000 0.226 87 D C -2.457 173.897 176.300 0.091 0.000 1.366 87 D CA -1.641 52.390 54.000 0.052 0.000 0.986 87 D CB 1.764 42.592 40.800 0.048 0.000 1.420 87 D HN -0.208 nan 8.370 nan 0.000 0.583 88 P HA 0.054 nan 4.420 nan 0.000 0.242 88 P C 0.643 178.135 177.300 0.320 0.000 1.197 88 P CA 0.221 63.437 63.100 0.192 0.000 0.765 88 P CB 0.317 32.081 31.700 0.107 0.000 0.936 89 R N -0.613 120.019 120.500 0.220 0.000 2.427 89 R HA 0.243 4.583 4.340 -0.001 0.000 0.262 89 R C 0.691 177.140 176.300 0.249 0.000 0.943 89 R CA -0.094 56.172 56.100 0.276 0.000 1.081 89 R CB 0.442 30.859 30.300 0.195 0.000 1.166 89 R HN 0.158 nan 8.270 nan 0.000 0.534 90 R N 0.284 120.906 120.500 0.203 0.000 2.807 90 R HA 0.346 4.686 4.340 -0.001 0.000 0.276 90 R C -1.381 175.037 176.300 0.196 0.000 0.979 90 R CA -0.910 55.285 56.100 0.158 0.000 0.928 90 R CB 1.758 32.089 30.300 0.051 0.000 1.191 90 R HN -0.074 nan 8.270 nan 0.000 0.471 91 Y N -0.997 119.300 120.300 -0.006 0.000 2.553 91 Y HA 0.600 5.149 4.550 -0.001 0.000 0.347 91 Y C -1.340 174.546 175.900 -0.022 0.000 1.019 91 Y CA -1.470 56.615 58.100 -0.025 0.000 1.032 91 Y CB 1.137 39.565 38.460 -0.054 0.000 1.284 91 Y HN 0.314 nan 8.280 nan 0.000 0.466 92 L N 3.471 124.713 121.223 0.032 0.000 2.275 92 L HA 0.706 5.045 4.340 -0.001 0.000 0.288 92 L C -0.920 175.953 176.870 0.005 0.000 1.046 92 L CA -1.125 53.691 54.840 -0.040 0.000 0.805 92 L CB 1.530 43.589 42.059 -0.000 0.000 1.193 92 L HN 0.563 nan 8.230 nan 0.000 0.426 93 V N 2.156 122.032 119.914 -0.064 0.000 2.443 93 V HA 0.251 4.370 4.120 -0.001 0.000 0.293 93 V C -0.528 175.551 176.094 -0.024 0.000 1.021 93 V CA -0.600 61.695 62.300 -0.008 0.000 0.848 93 V CB 1.479 33.283 31.823 -0.032 0.000 0.998 93 V HN 0.816 nan 8.190 nan 0.000 0.424 94 D N 4.138 124.540 120.400 0.003 0.000 2.751 94 D HA -0.193 4.447 4.640 -0.001 0.000 0.233 94 D C 1.362 177.653 176.300 -0.016 0.000 1.149 94 D CA 1.878 55.876 54.000 -0.004 0.000 0.682 94 D CB -1.163 39.632 40.800 -0.008 0.000 1.068 94 D HN 1.464 nan 8.370 nan 0.000 0.429 95 G N -0.392 108.398 108.800 -0.016 0.000 2.184 95 G HA2 -0.399 3.560 3.960 -0.001 0.000 0.264 95 G HA3 -0.399 3.560 3.960 -0.001 0.000 0.264 95 G C 0.343 175.221 174.900 -0.037 0.000 0.975 95 G CA 0.538 45.626 45.100 -0.020 0.000 0.642 95 G HN 0.696 nan 8.290 nan 0.000 0.536 96 R N 0.487 120.952 120.500 -0.058 0.000 2.393 96 R HA 0.597 4.936 4.340 -0.001 0.000 0.310 96 R C 0.109 176.334 176.300 -0.125 0.000 0.968 96 R CA 0.084 56.136 56.100 -0.080 0.000 0.867 96 R CB 1.041 31.291 30.300 -0.084 0.000 1.124 96 R HN 0.168 nan 8.270 nan 0.000 0.450 97 S N 5.160 120.791 115.700 -0.115 0.000 2.448 97 S HA 0.304 4.773 4.470 -0.001 0.000 0.279 97 S C -0.284 174.188 174.600 -0.213 0.000 1.195 97 S CA -0.575 57.537 58.200 -0.147 0.000 1.051 97 S CB 0.122 63.273 63.200 -0.081 0.000 0.948 97 S HN 0.472 nan 8.310 nan 0.000 0.493 98 L N 7.405 128.392 121.223 -0.393 0.000 2.325 98 L HA 0.580 4.920 4.340 -0.001 0.000 0.278 98 L C -2.081 174.596 176.870 -0.321 0.000 1.023 98 L CA -2.461 52.106 54.840 -0.456 0.000 0.811 98 L CB 2.028 43.608 42.059 -0.797 0.000 1.249 98 L HN 0.483 nan 8.230 nan 0.000 0.431 99 P HA 0.222 nan 4.420 nan 0.000 0.284 99 P C -0.755 176.651 177.300 0.177 0.000 1.253 99 P CA -0.458 62.667 63.100 0.041 0.000 0.800 99 P CB 1.153 32.874 31.700 0.035 0.000 0.961 100 L N 2.144 123.539 121.223 0.286 0.000 2.426 100 L HA 0.156 4.495 4.340 -0.001 0.000 0.271 100 L C 1.339 178.340 176.870 0.218 0.000 1.169 100 L CA 0.045 55.071 54.840 0.309 0.000 0.836 100 L CB -0.012 42.265 42.059 0.363 0.000 1.112 100 L HN 0.306 nan 8.230 nan 0.000 0.465 101 E N 2.364 122.654 120.200 0.149 0.000 2.313 101 E HA 0.235 4.584 4.350 -0.001 0.000 0.272 101 E C -0.916 175.701 176.600 0.028 0.000 1.038 101 E CA -0.422 56.022 56.400 0.072 0.000 0.863 101 E CB 1.196 30.916 29.700 0.033 0.000 1.060 101 E HN 0.493 nan 8.360 nan 0.000 0.402 102 E N 2.128 122.297 120.200 -0.052 0.000 2.155 102 E HA 0.230 4.579 4.350 -0.001 0.000 0.264 102 E C -0.834 175.687 176.600 -0.131 0.000 0.886 102 E CA -0.741 55.536 56.400 -0.205 0.000 0.752 102 E CB 1.500 31.037 29.700 -0.272 0.000 1.133 102 E HN 0.011 nan 8.360 nan 0.000 0.414 103 K N 2.061 122.388 120.400 -0.121 0.000 2.339 103 K HA 0.240 4.560 4.320 -0.001 0.000 0.264 103 K C -0.989 175.577 176.600 -0.057 0.000 0.986 103 K CA -0.622 55.628 56.287 -0.061 0.000 0.866 103 K CB 1.083 33.569 32.500 -0.024 0.000 1.103 103 K HN 0.441 nan 8.250 nan 0.000 0.441 104 S N 2.640 118.312 115.700 -0.045 0.000 2.508 104 S HA 0.658 5.127 4.470 -0.001 0.000 0.284 104 S C 0.030 174.637 174.600 0.011 0.000 1.192 104 S CA -0.693 57.494 58.200 -0.022 0.000 1.070 104 S CB 1.022 64.201 63.200 -0.035 0.000 1.004 104 S HN 0.527 nan 8.310 nan 0.000 0.493 105 V N -0.651 119.289 119.914 0.044 0.000 2.715 105 V HA 0.988 5.108 4.120 -0.001 0.000 0.310 105 V C -0.111 176.010 176.094 0.045 0.000 1.054 105 V CA -1.109 61.214 62.300 0.039 0.000 0.928 105 V CB 0.991 32.837 31.823 0.038 0.000 1.007 105 V HN 1.291 nan 8.190 nan 0.000 0.437 106 A N 5.004 127.840 122.820 0.027 0.000 2.331 106 A HA 0.907 5.227 4.320 -0.001 0.000 0.320 106 A C -0.792 176.803 177.584 0.018 0.000 1.138 106 A CA -0.666 51.386 52.037 0.025 0.000 0.790 106 A CB 0.984 19.993 19.000 0.015 0.000 1.206 106 A HN 0.764 nan 8.150 nan 0.000 0.470 107 I N 1.660 122.241 120.570 0.019 0.000 2.569 107 I HA 0.363 4.533 4.170 -0.001 0.000 0.296 107 I C -0.164 175.957 176.117 0.008 0.000 1.028 107 I CA -0.580 60.726 61.300 0.009 0.000 1.082 107 I CB 1.814 39.817 38.000 0.005 0.000 1.264 107 I HN 0.647 nan 8.210 nan 0.000 0.429 108 E N 4.501 124.703 120.200 0.003 0.000 2.249 108 E HA 0.488 4.837 4.350 -0.001 0.000 0.280 108 E C -0.978 175.622 176.600 0.001 0.000 1.016 108 E CA -0.545 55.856 56.400 0.002 0.000 0.830 108 E CB 2.692 32.392 29.700 -0.000 0.000 1.081 108 E HN 0.214 nan 8.360 nan 0.000 0.395 109 V N 3.376 123.291 119.914 0.002 0.000 2.487 109 V HA 0.270 4.390 4.120 -0.001 0.000 0.298 109 V C 0.299 176.393 176.094 -0.000 0.000 1.028 109 V CA -0.832 61.469 62.300 0.000 0.000 0.860 109 V CB 1.834 33.659 31.823 0.003 0.000 0.991 109 V HN 0.521 nan 8.190 nan 0.000 0.427 110 R N 3.019 123.518 120.500 -0.002 0.000 2.296 110 R HA 0.490 4.830 4.340 -0.001 0.000 0.323 110 R C 0.440 176.739 176.300 -0.002 0.000 1.067 110 R CA 0.084 56.182 56.100 -0.003 0.000 0.946 110 R CB 0.763 31.061 30.300 -0.004 0.000 0.991 110 R HN 0.927 nan 8.270 nan 0.000 0.448 111 G N 1.682 110.481 108.800 -0.001 0.000 2.537 111 G HA2 0.350 4.309 3.960 -0.001 0.000 0.297 111 G HA3 0.350 4.309 3.960 -0.001 0.000 0.297 111 G C 0.707 175.606 174.900 -0.002 0.000 1.310 111 G CA -0.009 45.090 45.100 -0.001 0.000 1.027 111 G HN 0.737 nan 8.290 nan 0.000 0.505 112 A N -0.140 122.680 122.820 -0.001 0.000 1.978 112 A HA -0.086 4.234 4.320 -0.001 0.000 0.220 112 A C 1.881 179.463 177.584 -0.002 0.000 1.170 112 A CA 2.297 54.333 52.037 -0.002 0.000 0.636 112 A CB -0.474 18.525 19.000 -0.002 0.000 0.810 112 A HN 0.638 nan 8.150 nan 0.000 0.448 113 D N -1.969 118.430 120.400 -0.002 0.000 2.363 113 D HA 0.225 4.865 4.640 -0.001 0.000 0.226 113 D C 1.233 177.532 176.300 -0.002 0.000 1.020 113 D CA 1.014 55.013 54.000 -0.002 0.000 0.892 113 D CB -0.737 40.062 40.800 -0.001 0.000 0.900 113 D HN 0.846 nan 8.370 nan 0.000 0.531 114 G N -0.117 108.682 108.800 -0.002 0.000 2.179 114 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.260 114 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.260 114 G C 0.174 175.072 174.900 -0.003 0.000 0.977 114 G CA 0.286 45.384 45.100 -0.003 0.000 0.641 114 G HN 0.493 nan 8.290 nan 0.000 0.533 115 K N -0.204 120.195 120.400 -0.002 0.000 2.087 115 K HA 0.712 5.032 4.320 -0.001 0.000 0.255 115 K C 0.464 177.063 176.600 -0.001 0.000 0.988 115 K CA -0.744 55.542 56.287 -0.002 0.000 0.915 115 K CB 1.278 33.778 32.500 -0.001 0.000 1.043 115 K HN 0.147 nan 8.250 nan 0.000 0.457 116 L N 1.652 122.875 121.223 -0.001 0.000 2.312 116 L HA 0.296 4.636 4.340 -0.001 0.000 0.281 116 L C 0.146 177.017 176.870 0.001 0.000 1.070 116 L CA -0.387 54.453 54.840 -0.000 0.000 0.805 116 L CB 1.411 43.470 42.059 -0.001 0.000 1.174 116 L HN 0.746 nan 8.230 nan 0.000 0.434 117 S N 2.575 118.277 115.700 0.002 0.000 2.568 117 S HA 0.584 5.054 4.470 -0.001 0.000 0.293 117 S C -0.721 173.882 174.600 0.006 0.000 1.089 117 S CA -1.052 57.150 58.200 0.004 0.000 0.945 117 S CB 2.334 65.537 63.200 0.004 0.000 1.077 117 S HN 0.647 nan 8.310 nan 0.000 0.485 118 R N 1.454 121.958 120.500 0.007 0.000 2.254 118 R HA 0.621 4.961 4.340 -0.001 0.000 0.318 118 R C -1.499 174.810 176.300 0.015 0.000 1.031 118 R CA -0.482 55.624 56.100 0.010 0.000 0.905 118 R CB 0.740 31.045 30.300 0.008 0.000 1.050 118 R HN 0.618 nan 8.270 nan 0.000 0.456 119 V N 4.392 124.319 119.914 0.021 0.000 2.417 119 V HA 0.286 4.405 4.120 -0.001 0.000 0.291 119 V C -0.420 175.702 176.094 0.046 0.000 1.024 119 V CA -0.670 61.650 62.300 0.034 0.000 0.861 119 V CB 1.698 33.545 31.823 0.040 0.000 0.985 119 V HN 0.828 nan 8.190 nan 0.000 0.436 120 E N 2.421 122.649 120.200 0.048 0.000 2.179 120 E HA 0.565 4.914 4.350 -0.001 0.000 0.275 120 E C -1.242 175.410 176.600 0.086 0.000 0.945 120 E CA -0.619 55.813 56.400 0.053 0.000 0.792 120 E CB 1.912 31.624 29.700 0.019 0.000 1.125 120 E HN 0.775 nan 8.360 nan 0.000 0.397 121 H N 1.418 120.487 119.070 -0.002 0.000 2.679 121 H HA 0.311 4.866 4.556 -0.001 0.000 0.360 121 H C -1.278 174.042 175.328 -0.013 0.000 1.105 121 H CA -0.864 55.187 56.048 0.005 0.000 1.196 121 H CB 1.147 30.919 29.762 0.017 0.000 1.636 121 H HN 0.209 nan 8.280 nan 0.000 0.531 122 K N 4.503 124.695 120.400 -0.346 0.000 2.234 122 K HA 0.384 4.704 4.320 -0.001 0.000 0.277 122 K C -1.231 175.297 176.600 -0.121 0.000 1.038 122 K CA -0.686 55.456 56.287 -0.241 0.000 0.888 122 K CB 0.777 33.079 32.500 -0.330 0.000 1.091 122 K HN 0.358 nan 8.250 nan 0.000 0.467 123 V N 5.980 125.883 119.914 -0.018 0.000 2.350 123 V HA 0.205 4.324 4.120 -0.001 0.000 0.276 123 V C -0.738 175.340 176.094 -0.025 0.000 1.028 123 V CA -0.761 61.592 62.300 0.088 0.000 0.860 123 V CB 0.302 32.196 31.823 0.118 0.000 0.990 123 V HN 0.627 nan 8.190 nan 0.000 0.453 124 Y N 3.725 124.110 120.300 0.142 0.000 2.316 124 Y HA 0.477 5.027 4.550 -0.001 0.000 0.331 124 Y C 0.689 176.605 175.900 0.027 0.000 1.083 124 Y CA 0.011 58.184 58.100 0.121 0.000 1.206 124 Y CB 0.996 39.607 38.460 0.251 0.000 1.195 124 Y HN 0.577 nan 8.280 nan 0.000 0.497 125 Q N 1.723 121.600 119.800 0.129 0.000 2.375 125 Q HA 0.531 4.870 4.340 -0.001 0.000 0.271 125 Q C -0.848 175.138 176.000 -0.023 0.000 1.074 125 Q CA -1.055 54.765 55.803 0.027 0.000 0.808 125 Q CB 2.389 31.135 28.738 0.013 0.000 1.327 125 Q HN 0.758 nan 8.270 nan 0.000 0.441 126 S N 0.496 116.115 115.700 -0.134 0.000 2.767 126 S HA 0.437 4.907 4.470 -0.001 0.000 0.300 126 S C 1.217 175.702 174.600 -0.192 0.000 1.123 126 S CA -0.806 57.246 58.200 -0.248 0.000 0.992 126 S CB 0.381 63.208 63.200 -0.621 0.000 1.138 126 S HN 0.801 nan 8.310 nan 0.000 0.550 127 I N -2.003 118.416 120.570 -0.253 0.000 2.530 127 I HA -0.143 4.027 4.170 -0.001 0.000 0.257 127 I C 1.387 177.193 176.117 -0.519 0.000 1.179 127 I CA 1.422 62.487 61.300 -0.392 0.000 1.440 127 I CB -0.702 37.014 38.000 -0.474 0.000 1.087 127 I HN 0.586 nan 8.210 nan 0.000 0.440 128 Y N 2.193 122.339 120.300 -0.256 0.000 2.490 128 Y HA 0.492 5.041 4.550 -0.001 0.000 0.285 128 Y C 1.542 177.340 175.900 -0.170 0.000 1.117 128 Y CA 0.213 58.125 58.100 -0.313 0.000 1.262 128 Y CB -0.317 37.889 38.460 -0.424 0.000 1.043 128 Y HN 0.418 nan 8.280 nan 0.000 0.553 129 G N -0.696 108.098 108.800 -0.011 0.000 2.346 129 G HA2 0.061 4.021 3.960 -0.001 0.000 0.294 129 G HA3 0.061 4.021 3.960 -0.001 0.000 0.294 129 G C -3.142 171.759 174.900 0.001 0.000 1.294 129 G CA -1.248 43.859 45.100 0.013 0.000 0.962 129 G HN -0.206 nan 8.290 nan 0.000 0.508 130 P HA 0.520 nan 4.420 nan 0.000 0.274 130 P C -0.402 176.897 177.300 -0.002 0.000 1.231 130 P CA -0.315 62.799 63.100 0.022 0.000 0.790 130 P CB 0.963 32.691 31.700 0.046 0.000 0.951 131 L N 2.169 123.380 121.223 -0.020 0.000 2.417 131 L HA 0.287 4.627 4.340 -0.001 0.000 0.268 131 L C 0.499 177.378 176.870 0.016 0.000 1.158 131 L CA -0.006 54.782 54.840 -0.087 0.000 0.819 131 L CB 0.721 42.606 42.059 -0.291 0.000 1.112 131 L HN 0.252 nan 8.230 nan 0.000 0.458 132 V N 0.739 120.655 119.914 0.002 0.000 2.789 132 V HA 0.798 4.918 4.120 -0.001 0.000 0.311 132 V C -0.733 175.387 176.094 0.045 0.000 1.073 132 V CA -0.745 61.569 62.300 0.024 0.000 0.921 132 V CB 1.982 33.766 31.823 -0.064 0.000 1.009 132 V HN 0.329 nan 8.190 nan 0.000 0.426 133 V N 3.807 123.793 119.914 0.120 0.000 2.487 133 V HA 0.497 4.617 4.120 -0.001 0.000 0.298 133 V C -1.269 174.993 176.094 0.280 0.000 1.028 133 V CA -0.221 62.183 62.300 0.173 0.000 0.860 133 V CB 1.991 33.954 31.823 0.233 0.000 0.991 133 V HN 0.932 nan 8.190 nan 0.000 0.427 134 W N 6.062 127.370 121.300 0.014 0.000 2.299 134 W HA 0.461 5.120 4.660 -0.001 0.000 0.319 134 W C -2.482 174.040 176.519 0.006 0.000 1.008 134 W CA -3.480 53.861 57.345 -0.008 0.000 1.384 134 W CB 0.685 30.115 29.460 -0.049 0.000 1.220 134 W HN 0.341 nan 8.180 nan 0.000 0.402 135 P HA 0.085 nan 4.420 nan 0.000 0.261 135 P C 1.022 178.390 177.300 0.113 0.000 1.183 135 P CA 1.811 64.992 63.100 0.136 0.000 0.761 135 P CB 0.491 32.244 31.700 0.088 0.000 0.785 136 G N 2.184 111.048 108.800 0.106 0.000 2.175 136 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.244 136 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.244 136 G C 0.874 175.832 174.900 0.096 0.000 0.982 136 G CA 0.845 45.994 45.100 0.083 0.000 0.641 136 G HN 0.625 nan 8.290 nan 0.000 0.527 137 K N -0.574 119.907 120.400 0.134 0.000 2.625 137 K HA 0.475 4.795 4.320 -0.001 0.000 0.202 137 K C 0.504 177.123 176.600 0.031 0.000 1.412 137 K CA 0.440 56.802 56.287 0.125 0.000 0.989 137 K CB 0.037 32.688 32.500 0.250 0.000 1.682 137 K HN 0.319 nan 8.250 nan 0.000 0.496 138 L N 3.141 124.368 121.223 0.006 0.000 2.371 138 L HA 0.450 4.790 4.340 -0.001 0.000 0.262 138 L C -0.942 175.986 176.870 0.097 0.000 1.054 138 L CA -0.785 53.928 54.840 -0.210 0.000 0.924 138 L CB 1.176 42.844 42.059 -0.652 0.000 1.295 138 L HN 0.159 nan 8.230 nan 0.000 0.441 139 D N 0.777 121.299 120.400 0.203 0.000 2.388 139 D HA 0.196 4.836 4.640 -0.001 0.000 0.254 139 D C -0.880 175.614 176.300 0.324 0.000 1.111 139 D CA -0.186 53.955 54.000 0.235 0.000 0.993 139 D CB 2.059 42.971 40.800 0.186 0.000 1.118 139 D HN 0.272 nan 8.370 nan 0.000 0.502 140 W N 3.132 124.478 121.300 0.077 0.000 2.394 140 W HA 0.179 4.839 4.660 -0.000 0.000 0.312 140 W C -0.715 175.812 176.519 0.013 0.000 0.981 140 W CA -1.009 56.356 57.345 0.034 0.000 1.519 140 W CB -0.569 28.890 29.460 -0.002 0.000 1.304 140 W HN 0.343 nan 8.180 nan 0.000 0.412 141 N N 2.426 121.345 118.700 0.365 0.000 2.867 141 N HA 0.423 5.163 4.740 -0.001 0.000 0.326 141 N C 0.808 176.435 175.510 0.194 0.000 1.355 141 N CA -0.461 52.700 53.050 0.186 0.000 0.830 141 N CB 0.666 39.228 38.487 0.125 0.000 1.152 141 N HN 0.221 nan 8.380 nan 0.000 0.569 142 R N -0.870 119.694 120.500 0.107 0.000 2.297 142 R HA 0.259 4.599 4.340 -0.001 0.000 0.197 142 R C 0.689 177.046 176.300 0.094 0.000 0.943 142 R CA 0.403 56.558 56.100 0.093 0.000 1.038 142 R CB -0.071 30.257 30.300 0.047 0.000 0.957 142 R HN 0.481 nan 8.270 nan 0.000 0.484 143 S N 0.357 116.112 115.700 0.090 0.000 2.510 143 S HA 0.004 4.474 4.470 -0.001 0.000 0.230 143 S C 0.455 175.079 174.600 0.041 0.000 1.066 143 S CA 0.210 58.446 58.200 0.060 0.000 0.941 143 S CB 0.439 63.668 63.200 0.049 0.000 0.829 143 S HN 0.416 nan 8.310 nan 0.000 0.530 144 E N -0.205 120.022 120.200 0.045 0.000 2.408 144 E HA 0.804 5.154 4.350 -0.001 0.000 0.275 144 E C -1.210 175.345 176.600 -0.074 0.000 0.935 144 E CA -1.254 55.111 56.400 -0.057 0.000 0.775 144 E CB 1.947 31.583 29.700 -0.106 0.000 1.277 144 E HN 0.156 nan 8.360 nan 0.000 0.455 145 A N 0.865 123.500 122.820 -0.307 0.000 2.583 145 A HA 0.688 5.007 4.320 -0.001 0.000 0.289 145 A C -2.083 175.161 177.584 -0.567 0.000 1.151 145 A CA -0.776 51.022 52.037 -0.398 0.000 0.695 145 A CB 1.253 19.720 19.000 -0.888 0.000 1.290 145 A HN 0.544 nan 8.150 nan 0.000 0.419 146 Y N -0.454 119.687 120.300 -0.265 0.000 2.361 146 Y HA 0.643 5.192 4.550 -0.001 0.000 0.337 146 Y C 0.512 176.289 175.900 -0.205 0.000 0.965 146 Y CA -0.015 57.964 58.100 -0.200 0.000 1.091 146 Y CB 2.244 40.593 38.460 -0.185 0.000 1.182 146 Y HN 0.984 nan 8.280 nan 0.000 0.450 147 A N 3.473 126.273 122.820 -0.034 0.000 2.330 147 A HA 0.860 5.180 4.320 -0.001 0.000 0.329 147 A C -1.725 175.922 177.584 0.105 0.000 1.135 147 A CA -0.844 51.189 52.037 -0.006 0.000 0.817 147 A CB 1.347 20.333 19.000 -0.023 0.000 1.269 147 A HN 0.809 nan 8.150 nan 0.000 0.469 148 L N 1.014 122.303 121.223 0.111 0.000 2.376 148 L HA 0.586 4.926 4.340 -0.001 0.000 0.275 148 L C -0.161 176.839 176.870 0.217 0.000 0.987 148 L CA -0.493 54.450 54.840 0.171 0.000 0.828 148 L CB 1.254 43.352 42.059 0.064 0.000 1.249 148 L HN 0.821 nan 8.230 nan 0.000 0.409 149 R N 3.756 124.458 120.500 0.336 0.000 2.215 149 R HA 0.223 4.563 4.340 -0.001 0.000 0.336 149 R C -1.045 175.544 176.300 0.482 0.000 0.996 149 R CA -0.558 55.711 56.100 0.281 0.000 0.847 149 R CB 0.800 31.145 30.300 0.075 0.000 1.127 149 R HN 0.562 nan 8.270 nan 0.000 0.465 150 D N 3.549 124.172 120.400 0.372 0.000 2.280 150 D HA 0.146 4.786 4.640 -0.001 0.000 0.243 150 D C 0.548 177.150 176.300 0.504 0.000 1.129 150 D CA -0.065 54.197 54.000 0.436 0.000 0.848 150 D CB 1.904 42.858 40.800 0.258 0.000 1.107 150 D HN 0.656 nan 8.370 nan 0.000 0.471 151 A N 4.610 127.802 122.820 0.620 0.000 2.014 151 A HA -0.127 4.193 4.320 -0.001 0.000 0.218 151 A C 1.690 179.497 177.584 0.371 0.000 1.163 151 A CA 0.678 53.065 52.037 0.585 0.000 0.652 151 A CB -0.105 19.104 19.000 0.347 0.000 0.808 151 A HN 0.622 nan 8.150 nan 0.000 0.449 152 N N -0.056 118.839 118.700 0.324 0.000 2.463 152 N HA 0.060 4.800 4.740 -0.001 0.000 0.181 152 N C 1.426 177.056 175.510 0.201 0.000 1.078 152 N CA 0.304 53.502 53.050 0.247 0.000 0.902 152 N CB -0.114 38.532 38.487 0.266 0.000 0.970 152 N HN 0.476 nan 8.380 nan 0.000 0.451 153 L N 0.994 122.338 121.223 0.200 0.000 2.127 153 L HA -0.159 4.181 4.340 -0.001 0.000 0.211 153 L C 1.355 178.300 176.870 0.126 0.000 1.089 153 L CA 1.392 56.320 54.840 0.148 0.000 0.757 153 L CB -0.134 42.004 42.059 0.132 0.000 0.899 153 L HN 0.146 nan 8.230 nan 0.000 0.434 154 E N -1.026 119.260 120.200 0.145 0.000 2.474 154 E HA -0.035 4.315 4.350 -0.001 0.000 0.195 154 E C 0.326 176.991 176.600 0.109 0.000 1.039 154 E CA -0.253 56.218 56.400 0.119 0.000 0.881 154 E CB 0.059 29.838 29.700 0.131 0.000 0.970 154 E HN 0.208 nan 8.360 nan 0.000 0.486 155 N N 1.739 120.510 118.700 0.118 0.000 2.739 155 N HA -0.035 4.705 4.740 -0.001 0.000 0.266 155 N C 0.462 176.018 175.510 0.077 0.000 1.168 155 N CA 0.186 53.292 53.050 0.093 0.000 1.055 155 N CB 0.364 38.910 38.487 0.098 0.000 1.393 155 N HN -0.014 nan 8.380 nan 0.000 0.514 156 T N -0.344 114.248 114.554 0.064 0.000 3.148 156 T HA 0.116 4.465 4.350 -0.001 0.000 0.253 156 T C 1.166 175.894 174.700 0.048 0.000 1.134 156 T CA 0.334 62.467 62.100 0.055 0.000 1.051 156 T CB -0.062 68.834 68.868 0.047 0.000 0.959 156 T HN 0.373 nan 8.240 nan 0.000 0.525 157 R N 0.072 120.596 120.500 0.040 0.000 2.334 157 R HA 0.342 4.681 4.340 -0.001 0.000 0.216 157 R C 2.208 178.525 176.300 0.028 0.000 0.905 157 R CA 0.013 56.127 56.100 0.024 0.000 1.064 157 R CB -0.183 30.117 30.300 0.000 0.000 1.046 157 R HN 0.258 nan 8.270 nan 0.000 0.508 158 V N 1.384 121.333 119.914 0.058 0.000 2.287 158 V HA -0.249 3.871 4.120 -0.001 0.000 0.248 158 V C 1.783 178.008 176.094 0.217 0.000 1.053 158 V CA 1.860 64.227 62.300 0.112 0.000 1.027 158 V CB -0.100 31.815 31.823 0.154 0.000 0.646 158 V HN 0.314 nan 8.190 nan 0.000 0.447 159 L N -0.527 120.799 121.223 0.171 0.000 2.072 159 L HA -0.164 4.176 4.340 -0.001 0.000 0.205 159 L C 2.685 179.667 176.870 0.187 0.000 1.079 159 L CA 2.043 56.994 54.840 0.186 0.000 0.752 159 L CB -0.798 41.318 42.059 0.095 0.000 0.906 159 L HN 0.421 nan 8.230 nan 0.000 0.436 160 Q N 0.212 120.086 119.800 0.124 0.000 2.135 160 Q HA -0.310 4.030 4.340 -0.001 0.000 0.204 160 Q C 2.211 178.268 176.000 0.096 0.000 0.981 160 Q CA 2.010 57.888 55.803 0.126 0.000 0.856 160 Q CB 0.046 28.827 28.738 0.071 0.000 0.902 160 Q HN 0.365 nan 8.270 nan 0.000 0.425 161 Q N -0.255 119.558 119.800 0.022 0.000 2.050 161 Q HA -0.165 4.175 4.340 -0.001 0.000 0.202 161 Q C 1.603 177.495 176.000 -0.179 0.000 0.980 161 Q CA 1.910 57.630 55.803 -0.139 0.000 0.840 161 Q CB -0.489 28.079 28.738 -0.283 0.000 0.898 161 Q HN 0.516 nan 8.270 nan 0.000 0.424 162 W N -0.608 120.692 121.300 -0.001 0.000 2.388 162 W HA -0.163 4.497 4.660 -0.000 0.000 0.294 162 W C 2.000 178.563 176.519 0.074 0.000 1.212 162 W CA 1.112 58.473 57.345 0.026 0.000 1.271 162 W CB -0.676 28.832 29.460 0.079 0.000 1.126 162 W HN 0.297 nan 8.180 nan 0.000 0.535 163 Y N 0.949 121.346 120.300 0.161 0.000 2.224 163 Y HA -0.243 4.306 4.550 -0.000 0.000 0.289 163 Y C 2.820 178.725 175.900 0.008 0.000 1.146 163 Y CA 1.906 60.059 58.100 0.088 0.000 1.182 163 Y CB -0.914 37.588 38.460 0.069 0.000 0.983 163 Y HN -0.218 nan 8.280 nan 0.000 0.524 164 S N -0.181 115.489 115.700 -0.051 0.000 2.356 164 S HA -0.173 4.297 4.470 -0.001 0.000 0.223 164 S C 2.152 176.605 174.600 -0.246 0.000 1.032 164 S CA 1.568 59.662 58.200 -0.176 0.000 1.005 164 S CB -0.591 62.530 63.200 -0.131 0.000 0.867 164 S HN 0.491 nan 8.310 nan 0.000 0.449 165 I N 2.017 122.408 120.570 -0.297 0.000 2.194 165 I HA -0.252 3.918 4.170 -0.001 0.000 0.246 165 I C 2.204 178.023 176.117 -0.496 0.000 1.093 165 I CA 1.535 62.536 61.300 -0.498 0.000 1.355 165 I CB -0.592 36.976 38.000 -0.719 0.000 1.046 165 I HN 0.453 nan 8.210 nan 0.000 0.413 166 N N 0.135 118.679 118.700 -0.261 0.000 2.272 166 N HA -0.217 4.523 4.740 -0.001 0.000 0.185 166 N C 1.457 176.893 175.510 -0.124 0.000 1.014 166 N CA 0.831 53.830 53.050 -0.086 0.000 0.870 166 N CB -0.026 38.509 38.487 0.080 0.000 0.975 166 N HN 0.524 nan 8.380 nan 0.000 0.433 167 Q N 0.070 119.735 119.800 -0.225 0.000 2.319 167 Q HA 0.239 4.578 4.340 -0.001 0.000 0.202 167 Q C -0.010 175.914 176.000 -0.127 0.000 0.896 167 Q CA -0.389 55.301 55.803 -0.188 0.000 0.942 167 Q CB 0.718 29.294 28.738 -0.271 0.000 1.083 167 Q HN 0.227 nan 8.270 nan 0.000 0.510 168 A N 0.898 123.626 122.820 -0.153 0.000 2.462 168 A HA 0.148 4.468 4.320 -0.001 0.000 0.243 168 A C 1.150 178.712 177.584 -0.037 0.000 1.076 168 A CA 0.268 52.233 52.037 -0.121 0.000 0.773 168 A CB 0.430 19.318 19.000 -0.187 0.000 1.010 168 A HN 0.351 nan 8.150 nan 0.000 0.493 169 S N 1.125 116.814 115.700 -0.018 0.000 2.355 169 S HA 0.104 4.574 4.470 -0.001 0.000 0.216 169 S C 0.467 175.093 174.600 0.043 0.000 1.037 169 S CA 0.935 59.160 58.200 0.041 0.000 0.955 169 S CB -0.356 62.858 63.200 0.024 0.000 0.877 169 S HN 0.898 nan 8.310 nan 0.000 0.488 170 D N -0.490 119.901 120.400 -0.015 0.000 2.781 170 D HA 0.420 5.060 4.640 -0.001 0.000 0.295 170 D C 0.979 177.258 176.300 -0.035 0.000 1.143 170 D CA -0.795 53.185 54.000 -0.033 0.000 1.076 170 D CB 0.687 41.439 40.800 -0.079 0.000 1.444 170 D HN -0.074 nan 8.370 nan 0.000 0.567 171 V N 0.146 120.040 119.914 -0.033 0.000 2.343 171 V HA -0.152 3.968 4.120 -0.001 0.000 0.247 171 V C 2.475 178.546 176.094 -0.038 0.000 1.051 171 V CA 2.732 65.019 62.300 -0.021 0.000 1.036 171 V CB -1.057 30.763 31.823 -0.005 0.000 0.654 171 V HN 0.748 nan 8.190 nan 0.000 0.451 172 A N -0.260 122.534 122.820 -0.043 0.000 1.902 172 A HA -0.292 4.028 4.320 -0.001 0.000 0.217 172 A C 2.040 179.591 177.584 -0.056 0.000 1.181 172 A CA 2.213 54.223 52.037 -0.046 0.000 0.623 172 A CB -0.675 18.299 19.000 -0.044 0.000 0.818 172 A HN 0.598 nan 8.150 nan 0.000 0.443 173 D N -0.664 119.699 120.400 -0.061 0.000 2.097 173 D HA -0.137 4.503 4.640 -0.001 0.000 0.197 173 D C 1.800 178.042 176.300 -0.096 0.000 0.984 173 D CA 1.260 55.217 54.000 -0.072 0.000 0.826 173 D CB -0.216 40.545 40.800 -0.066 0.000 0.973 173 D HN 0.234 nan 8.370 nan 0.000 0.460 174 L N 0.948 122.108 121.223 -0.104 0.000 2.013 174 L HA -0.136 4.203 4.340 -0.001 0.000 0.212 174 L C 2.344 179.130 176.870 -0.139 0.000 1.073 174 L CA 1.890 56.641 54.840 -0.148 0.000 0.753 174 L CB -0.704 41.273 42.059 -0.136 0.000 0.890 174 L HN -0.025 nan 8.230 nan 0.000 0.432 175 R N -0.678 119.763 120.500 -0.099 0.000 2.083 175 R HA -0.178 4.162 4.340 -0.001 0.000 0.237 175 R C 2.465 178.710 176.300 -0.092 0.000 1.137 175 R CA 1.754 57.800 56.100 -0.090 0.000 0.951 175 R CB -0.240 30.023 30.300 -0.061 0.000 0.851 175 R HN 0.374 nan 8.270 nan 0.000 0.434 176 R N -0.056 120.395 120.500 -0.081 0.000 2.096 176 R HA -0.167 4.173 4.340 -0.001 0.000 0.240 176 R C 2.503 178.747 176.300 -0.093 0.000 1.139 176 R CA 2.103 58.157 56.100 -0.076 0.000 0.952 176 R CB -0.300 29.960 30.300 -0.066 0.000 0.854 176 R HN 0.298 nan 8.270 nan 0.000 0.436 177 R N -0.103 120.328 120.500 -0.116 0.000 2.092 177 R HA -0.055 4.284 4.340 -0.001 0.000 0.231 177 R C 2.296 178.501 176.300 -0.158 0.000 1.119 177 R CA 1.100 57.119 56.100 -0.136 0.000 0.970 177 R CB -0.135 30.067 30.300 -0.164 0.000 0.864 177 R HN 0.070 nan 8.270 nan 0.000 0.440 178 V N 0.986 120.793 119.914 -0.177 0.000 2.407 178 V HA -0.165 3.954 4.120 -0.001 0.000 0.245 178 V C 1.870 177.874 176.094 -0.150 0.000 1.041 178 V CA 1.661 63.842 62.300 -0.198 0.000 1.040 178 V CB -0.317 31.377 31.823 -0.215 0.000 0.671 178 V HN 0.310 nan 8.190 nan 0.000 0.455 179 E N 0.399 120.528 120.200 -0.118 0.000 2.150 179 E HA -0.138 4.212 4.350 -0.001 0.000 0.193 179 E C 2.290 178.841 176.600 -0.081 0.000 0.985 179 E CA 1.164 57.509 56.400 -0.092 0.000 0.814 179 E CB -0.263 29.393 29.700 -0.073 0.000 0.752 179 E HN 0.595 nan 8.360 nan 0.000 0.466 180 A N 0.762 123.533 122.820 -0.082 0.000 1.898 180 A HA -0.126 4.194 4.320 -0.001 0.000 0.216 180 A C 2.041 179.587 177.584 -0.065 0.000 1.181 180 A CA 1.000 52.997 52.037 -0.066 0.000 0.620 180 A CB -0.174 18.788 19.000 -0.063 0.000 0.819 180 A HN 0.182 nan 8.150 nan 0.000 0.442 181 L N -1.439 119.733 121.223 -0.084 0.000 2.357 181 L HA 0.157 4.496 4.340 -0.001 0.000 0.211 181 L C 0.642 177.465 176.870 -0.079 0.000 1.075 181 L CA 1.128 55.922 54.840 -0.076 0.000 0.830 181 L CB -0.403 41.601 42.059 -0.092 0.000 0.996 181 L HN 0.568 nan 8.230 nan 0.000 0.467 182 Q N -0.435 119.303 119.800 -0.103 0.000 2.451 182 Q HA -0.218 4.122 4.340 -0.001 0.000 0.305 182 Q C 0.943 176.882 176.000 -0.102 0.000 1.345 182 Q CA 0.434 56.178 55.803 -0.100 0.000 0.854 182 Q CB -2.208 26.492 28.738 -0.063 0.000 1.162 182 Q HN 0.617 nan 8.270 nan 0.000 0.440 183 G N -0.401 108.304 108.800 -0.159 0.000 3.126 183 G HA2 0.187 4.146 3.960 -0.001 0.000 0.224 183 G HA3 0.187 4.146 3.960 -0.001 0.000 0.224 183 G C 0.538 175.291 174.900 -0.244 0.000 1.142 183 G CA -0.310 44.698 45.100 -0.153 0.000 0.759 183 G HN 0.285 nan 8.290 nan 0.000 0.550 184 I N 2.317 122.680 120.570 -0.346 0.000 2.452 184 I HA 0.147 4.317 4.170 -0.001 0.000 0.287 184 I C -1.240 174.710 176.117 -0.278 0.000 1.079 184 I CA -2.161 58.859 61.300 -0.465 0.000 1.387 184 I CB 1.411 39.127 38.000 -0.474 0.000 1.404 184 I HN -0.031 nan 8.210 nan 0.000 0.522 185 P HA -0.035 nan 4.420 nan 0.000 0.216 185 P C 0.534 177.609 177.300 -0.374 0.000 1.156 185 P CA 1.453 64.384 63.100 -0.282 0.000 0.855 185 P CB 0.309 31.815 31.700 -0.323 0.000 0.786 186 W N -0.842 120.299 121.300 -0.266 0.000 1.093 186 W HA 0.485 5.144 4.660 -0.000 0.000 0.215 186 W C -0.881 175.595 176.519 -0.070 0.000 0.789 186 W CA -0.580 56.442 57.345 -0.538 0.000 1.438 186 W CB -0.281 28.916 29.460 -0.439 0.000 0.864 186 W HN -0.294 nan 8.180 nan 0.000 0.402 187 V N -0.984 118.963 119.914 0.056 0.000 2.962 187 V HA 0.553 4.673 4.120 -0.001 0.000 0.313 187 V C -0.097 176.083 176.094 0.142 0.000 1.099 187 V CA -1.237 61.170 62.300 0.179 0.000 0.971 187 V CB 1.436 33.340 31.823 0.135 0.000 1.028 187 V HN 0.093 nan 8.190 nan 0.000 0.430 188 N N 0.791 119.607 118.700 0.194 0.000 2.371 188 N HA 0.482 5.222 4.740 -0.001 0.000 0.243 188 N C -0.352 175.281 175.510 0.205 0.000 1.287 188 N CA 0.177 53.287 53.050 0.100 0.000 0.911 188 N CB 0.515 39.104 38.487 0.170 0.000 1.142 188 N HN 0.913 nan 8.380 nan 0.000 0.451 189 T N 1.351 115.935 114.554 0.049 0.000 2.848 189 T HA 0.554 4.903 4.350 -0.001 0.000 0.285 189 T C -0.945 173.766 174.700 0.018 0.000 0.995 189 T CA -0.545 61.619 62.100 0.107 0.000 0.970 189 T CB 0.754 69.670 68.868 0.081 0.000 0.976 189 T HN 0.121 nan 8.240 nan 0.000 0.441 190 L N 2.346 123.615 121.223 0.076 0.000 2.370 190 L HA 0.956 5.295 4.340 -0.001 0.000 0.266 190 L C -0.259 176.689 176.870 0.129 0.000 1.002 190 L CA -0.549 54.366 54.840 0.125 0.000 0.818 190 L CB 1.983 44.150 42.059 0.180 0.000 1.325 190 L HN 0.868 nan 8.230 nan 0.000 0.418 191 A N 1.509 124.413 122.820 0.139 0.000 2.594 191 A HA 1.001 5.320 4.320 -0.001 0.000 0.295 191 A C -1.650 176.021 177.584 0.146 0.000 1.071 191 A CA -0.116 52.021 52.037 0.166 0.000 0.685 191 A CB 1.788 20.887 19.000 0.166 0.000 1.285 191 A HN 0.904 nan 8.150 nan 0.000 0.405 192 A N 1.036 123.962 122.820 0.175 0.000 2.498 192 A HA 0.872 5.192 4.320 -0.001 0.000 0.298 192 A C -1.326 176.348 177.584 0.151 0.000 1.075 192 A CA -0.108 52.028 52.037 0.164 0.000 0.714 192 A CB 1.400 20.520 19.000 0.199 0.000 1.299 192 A HN 1.289 nan 8.150 nan 0.000 0.407 193 D N -0.592 119.809 120.400 0.003 0.000 2.533 193 D HA 0.302 4.942 4.640 -0.001 0.000 0.247 193 D C 0.584 176.609 176.300 -0.459 0.000 1.056 193 D CA -0.481 53.360 54.000 -0.265 0.000 1.054 193 D CB 0.817 41.520 40.800 -0.162 0.000 1.400 193 D HN 0.511 nan 8.370 nan 0.000 0.533 194 E N -0.994 118.738 120.200 -0.780 0.000 2.118 194 E HA -0.226 4.124 4.350 -0.001 0.000 0.195 194 E C 1.300 177.805 176.600 -0.158 0.000 0.992 194 E CA 1.038 57.132 56.400 -0.511 0.000 0.804 194 E CB 0.141 29.647 29.700 -0.323 0.000 0.741 194 E HN 0.340 nan 8.360 nan 0.000 0.458 195 Q N -0.864 118.848 119.800 -0.147 0.000 2.500 195 Q HA -0.038 4.302 4.340 -0.001 0.000 0.213 195 Q C 1.082 177.059 176.000 -0.039 0.000 0.974 195 Q CA 1.069 56.824 55.803 -0.079 0.000 0.918 195 Q CB 0.739 29.424 28.738 -0.089 0.000 0.980 195 Q HN 0.507 nan 8.270 nan 0.000 0.505 196 G N 1.368 110.151 108.800 -0.028 0.000 2.131 196 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.201 196 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.201 196 G C -0.164 174.745 174.900 0.016 0.000 1.000 196 G CA -0.327 44.782 45.100 0.015 0.000 0.680 196 G HN 0.237 nan 8.290 nan 0.000 0.514 197 N N 0.692 119.393 118.700 0.002 0.000 2.499 197 N HA 0.585 5.324 4.740 -0.001 0.000 0.281 197 N C 0.119 175.653 175.510 0.040 0.000 1.098 197 N CA 0.654 53.711 53.050 0.011 0.000 0.979 197 N CB 1.731 40.215 38.487 -0.005 0.000 1.121 197 N HN 0.697 nan 8.380 nan 0.000 0.466 198 A N 2.102 124.951 122.820 0.048 0.000 2.318 198 A HA 0.546 4.866 4.320 -0.001 0.000 0.317 198 A C -0.849 176.779 177.584 0.074 0.000 1.159 198 A CA -0.617 51.465 52.037 0.075 0.000 0.799 198 A CB 0.687 19.740 19.000 0.088 0.000 1.194 198 A HN 0.563 nan 8.150 nan 0.000 0.479 199 L N 2.711 123.990 121.223 0.094 0.000 2.362 199 L HA 0.717 5.057 4.340 -0.001 0.000 0.275 199 L C -1.290 175.673 176.870 0.155 0.000 0.998 199 L CA -0.541 54.355 54.840 0.094 0.000 0.820 199 L CB 1.544 43.634 42.059 0.052 0.000 1.270 199 L HN 0.657 nan 8.230 nan 0.000 0.415 200 Y N 5.535 125.853 120.300 0.030 0.000 2.364 200 Y HA 0.777 5.326 4.550 -0.001 0.000 0.340 200 Y C -1.247 174.666 175.900 0.023 0.000 0.975 200 Y CA -0.981 57.142 58.100 0.038 0.000 1.089 200 Y CB 1.709 40.193 38.460 0.040 0.000 1.192 200 Y HN 0.641 nan 8.280 nan 0.000 0.454 201 M N 5.516 124.700 119.600 -0.693 0.000 2.263 201 M HA 0.225 4.705 4.480 -0.001 0.000 0.295 201 M C -0.681 175.134 176.300 -0.809 0.000 1.028 201 M CA -0.718 54.231 55.300 -0.585 0.000 0.921 201 M CB 1.752 34.193 32.600 -0.266 0.000 1.601 201 M HN 0.647 nan 8.290 nan 0.000 0.440 202 N N 2.704 121.029 118.700 -0.625 0.000 3.052 202 N HA 0.073 4.813 4.740 -0.001 0.000 0.302 202 N C -0.997 174.413 175.510 -0.166 0.000 1.332 202 N CA 0.123 52.986 53.050 -0.311 0.000 1.129 202 N CB 0.483 38.881 38.487 -0.147 0.000 1.436 202 N HN 0.514 nan 8.380 nan 0.000 0.536 203 Q N 0.740 120.440 119.800 -0.166 0.000 2.509 203 Q HA 0.254 4.594 4.340 -0.001 0.000 0.230 203 Q C -0.467 175.477 176.000 -0.095 0.000 1.089 203 Q CA -0.182 55.549 55.803 -0.119 0.000 0.901 203 Q CB 0.773 29.428 28.738 -0.138 0.000 1.208 203 Q HN 0.546 nan 8.270 nan 0.000 0.529 204 S N -0.835 114.846 115.700 -0.031 0.000 2.840 204 S HA 0.590 5.060 4.470 -0.001 0.000 0.307 204 S C -0.295 174.335 174.600 0.050 0.000 1.180 204 S CA -0.778 57.422 58.200 0.000 0.000 0.846 204 S CB 1.141 64.397 63.200 0.095 0.000 1.233 204 S HN 0.127 nan 8.310 nan 0.000 0.548 205 V N 1.653 121.630 119.914 0.105 0.000 2.368 205 V HA 0.561 4.681 4.120 -0.001 0.000 0.266 205 V C -0.893 175.336 176.094 0.225 0.000 1.045 205 V CA -0.273 62.105 62.300 0.129 0.000 0.899 205 V CB 0.429 32.327 31.823 0.124 0.000 1.006 205 V HN 0.654 nan 8.190 nan 0.000 0.470 206 V N 7.687 127.633 119.914 0.053 0.000 2.525 206 V HA 0.388 4.507 4.120 -0.001 0.000 0.299 206 V C -2.468 173.483 176.094 -0.239 0.000 1.034 206 V CA -2.146 60.102 62.300 -0.088 0.000 0.863 206 V CB 2.339 34.102 31.823 -0.100 0.000 0.999 206 V HN 0.624 nan 8.190 nan 0.000 0.423 207 P HA -0.009 nan 4.420 nan 0.000 0.264 207 P C -1.277 175.720 177.300 -0.505 0.000 1.183 207 P CA 0.312 62.769 63.100 -1.071 0.000 0.763 207 P CB 0.101 30.812 31.700 -1.649 0.000 0.807 208 Y N 4.367 124.391 120.300 -0.461 0.000 2.335 208 Y HA 0.544 5.094 4.550 -0.001 0.000 0.338 208 Y C -1.161 174.683 175.900 -0.094 0.000 0.977 208 Y CA -0.991 56.999 58.100 -0.183 0.000 1.114 208 Y CB 0.784 39.213 38.460 -0.052 0.000 1.182 208 Y HN 0.214 nan 8.280 nan 0.000 0.463 209 L N 6.832 127.824 121.223 -0.385 0.000 2.381 209 L HA 0.440 4.780 4.340 -0.001 0.000 0.274 209 L C -0.382 176.137 176.870 -0.584 0.000 0.988 209 L CA -1.097 53.486 54.840 -0.429 0.000 0.824 209 L CB 1.917 43.869 42.059 -0.178 0.000 1.263 209 L HN 0.611 nan 8.230 nan 0.000 0.410 210 K N 3.886 123.914 120.400 -0.620 0.000 2.527 210 K HA -0.028 4.291 4.320 -0.001 0.000 0.278 210 K C -1.613 174.891 176.600 -0.160 0.000 0.981 210 K CA -1.027 55.047 56.287 -0.354 0.000 1.009 210 K CB 0.458 32.834 32.500 -0.205 0.000 0.895 210 K HN 0.289 nan 8.250 nan 0.000 0.493 211 P HA -0.282 nan 4.420 nan 0.000 0.216 211 P C 0.942 178.216 177.300 -0.042 0.000 1.154 211 P CA 1.424 64.500 63.100 -0.041 0.000 0.865 211 P CB 0.103 31.794 31.700 -0.015 0.000 0.789 212 E N -0.110 120.067 120.200 -0.038 0.000 2.409 212 E HA -0.118 4.231 4.350 -0.001 0.000 0.198 212 E C 1.661 178.243 176.600 -0.030 0.000 1.024 212 E CA 0.939 57.322 56.400 -0.028 0.000 0.861 212 E CB -0.971 28.718 29.700 -0.019 0.000 0.788 212 E HN 0.318 nan 8.360 nan 0.000 0.521 213 L N 0.239 121.436 121.223 -0.044 0.000 2.416 213 L HA 0.133 4.472 4.340 -0.001 0.000 0.216 213 L C 2.486 179.336 176.870 -0.034 0.000 1.098 213 L CA 0.086 54.906 54.840 -0.035 0.000 0.840 213 L CB -0.165 41.869 42.059 -0.042 0.000 0.981 213 L HN 0.009 nan 8.230 nan 0.000 0.462 214 I N 0.589 121.132 120.570 -0.045 0.000 2.179 214 I HA -0.192 3.978 4.170 -0.001 0.000 0.242 214 I C -0.244 175.852 176.117 -0.036 0.000 1.088 214 I CA 1.364 62.636 61.300 -0.047 0.000 1.357 214 I CB -1.370 36.598 38.000 -0.054 0.000 1.051 214 I HN 0.195 nan 8.210 nan 0.000 0.409 215 P HA -0.181 nan 4.420 nan 0.000 0.216 215 P C 1.226 178.516 177.300 -0.017 0.000 1.153 215 P CA 1.828 64.915 63.100 -0.021 0.000 0.858 215 P CB 0.032 31.722 31.700 -0.017 0.000 0.789 216 A N -2.313 120.499 122.820 -0.013 0.000 2.147 216 A HA 0.008 4.327 4.320 -0.001 0.000 0.211 216 A C 2.026 179.607 177.584 -0.005 0.000 1.160 216 A CA 0.600 52.633 52.037 -0.006 0.000 0.781 216 A CB -1.147 17.852 19.000 -0.001 0.000 0.842 216 A HN 0.201 nan 8.150 nan 0.000 0.475 217 c N -0.397 118.197 118.600 -0.011 0.000 2.563 217 c HA 0.512 5.082 4.570 -0.001 0.000 0.268 217 c C 1.666 175.734 174.090 -0.037 0.000 1.365 217 c CA -0.228 56.095 56.329 -0.010 0.000 1.754 217 c CB -1.191 41.321 42.510 0.002 0.000 1.932 217 c HN 0.627 nan 8.230 nan 0.000 0.536 218 A N 1.273 124.067 122.820 -0.044 0.000 2.351 218 A HA 0.526 4.846 4.320 -0.001 0.000 0.257 218 A C 0.008 177.569 177.584 -0.039 0.000 1.087 218 A CA 0.126 52.128 52.037 -0.057 0.000 0.798 218 A CB 0.116 19.083 19.000 -0.054 0.000 1.033 218 A HN 0.345 nan 8.150 nan 0.000 0.488 219 I N 3.357 123.905 120.570 -0.038 0.000 2.308 219 I HA 0.165 4.335 4.170 -0.001 0.000 0.293 219 I C -1.733 174.379 176.117 -0.008 0.000 1.078 219 I CA -1.857 59.438 61.300 -0.008 0.000 1.292 219 I CB 0.480 38.494 38.000 0.023 0.000 1.423 219 I HN 0.418 nan 8.210 nan 0.000 0.493 220 P HA -0.213 nan 4.420 nan 0.000 0.215 220 P C 1.564 178.864 177.300 0.001 0.000 1.157 220 P CA 1.428 64.525 63.100 -0.004 0.000 0.874 220 P CB 0.102 31.802 31.700 0.000 0.000 0.790 221 Q N -0.573 119.233 119.800 0.011 0.000 2.224 221 Q HA -0.084 4.256 4.340 -0.001 0.000 0.203 221 Q C 2.009 178.017 176.000 0.014 0.000 0.970 221 Q CA 1.384 57.197 55.803 0.016 0.000 0.865 221 Q CB -1.155 27.598 28.738 0.026 0.000 0.922 221 Q HN 0.323 nan 8.270 nan 0.000 0.445 222 L N 0.185 121.412 121.223 0.008 0.000 2.202 222 L HA -0.006 4.334 4.340 -0.001 0.000 0.205 222 L C 2.466 179.328 176.870 -0.014 0.000 1.083 222 L CA 0.221 55.058 54.840 -0.004 0.000 0.790 222 L CB -0.144 41.903 42.059 -0.019 0.000 0.942 222 L HN -0.029 nan 8.230 nan 0.000 0.452 223 V N 0.531 120.430 119.914 -0.025 0.000 2.407 223 V HA -0.265 3.855 4.120 -0.001 0.000 0.248 223 V C 2.774 178.854 176.094 -0.022 0.000 1.055 223 V CA 1.712 63.989 62.300 -0.038 0.000 1.049 223 V CB -0.816 30.977 31.823 -0.050 0.000 0.662 223 V HN 0.462 nan 8.190 nan 0.000 0.455 224 A N -0.114 122.700 122.820 -0.011 0.000 2.024 224 A HA -0.235 4.085 4.320 -0.001 0.000 0.220 224 A C 1.940 179.527 177.584 0.005 0.000 1.164 224 A CA 1.819 53.854 52.037 -0.004 0.000 0.643 224 A CB -0.372 18.629 19.000 0.002 0.000 0.806 224 A HN 0.688 nan 8.150 nan 0.000 0.451 225 E N -1.561 118.646 120.200 0.012 0.000 2.444 225 E HA 0.346 4.696 4.350 -0.001 0.000 0.191 225 E C 0.915 177.536 176.600 0.035 0.000 1.041 225 E CA 0.176 56.592 56.400 0.028 0.000 0.883 225 E CB 0.017 29.743 29.700 0.044 0.000 1.024 225 E HN 0.682 nan 8.360 nan 0.000 0.470 226 G N 1.528 110.336 108.800 0.014 0.000 2.143 226 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.249 226 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.249 226 G C 0.061 174.966 174.900 0.009 0.000 0.981 226 G CA -0.125 44.981 45.100 0.010 0.000 0.665 226 G HN 0.232 nan 8.290 nan 0.000 0.528 227 L N 1.746 122.970 121.223 0.002 0.000 2.275 227 L HA 0.403 4.743 4.340 -0.001 0.000 0.288 227 L C -1.629 175.172 176.870 -0.116 0.000 1.046 227 L CA -2.177 52.650 54.840 -0.021 0.000 0.805 227 L CB 1.546 43.601 42.059 -0.007 0.000 1.193 227 L HN -0.086 nan 8.230 nan 0.000 0.426 228 P HA 0.147 nan 4.420 nan 0.000 0.252 228 P C -0.954 176.197 177.300 -0.249 0.000 1.727 228 P CA -0.053 62.863 63.100 -0.306 0.000 1.134 228 P CB 0.520 31.893 31.700 -0.544 0.000 1.876 229 A N 4.567 127.282 122.820 -0.175 0.000 2.331 229 A HA 0.739 5.058 4.320 -0.001 0.000 0.320 229 A C -0.507 176.965 177.584 -0.187 0.000 1.138 229 A CA -0.718 51.230 52.037 -0.148 0.000 0.790 229 A CB 1.000 19.969 19.000 -0.051 0.000 1.206 229 A HN 0.398 nan 8.150 nan 0.000 0.470 230 L N 1.116 122.152 121.223 -0.312 0.000 2.301 230 L HA 0.452 4.792 4.340 -0.001 0.000 0.264 230 L C -0.195 176.573 176.870 -0.170 0.000 1.016 230 L CA -1.094 53.564 54.840 -0.304 0.000 0.821 230 L CB 1.701 43.442 42.059 -0.529 0.000 1.346 230 L HN 0.613 nan 8.230 nan 0.000 0.429 231 Q N 1.161 120.935 119.800 -0.045 0.000 2.324 231 Q HA 0.138 4.478 4.340 -0.001 0.000 0.257 231 Q C 0.717 176.784 176.000 0.112 0.000 1.080 231 Q CA 0.013 55.827 55.803 0.019 0.000 0.907 231 Q CB 1.226 29.978 28.738 0.023 0.000 1.274 231 Q HN 0.901 nan 8.270 nan 0.000 0.434 232 G N 2.507 111.356 108.800 0.083 0.000 3.088 232 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.212 232 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.212 232 G C 0.925 175.918 174.900 0.156 0.000 1.173 232 G CA -0.012 45.099 45.100 0.018 0.000 0.779 232 G HN 0.488 nan 8.290 nan 0.000 0.540 233 Q N 0.339 120.205 119.800 0.110 0.000 2.247 233 Q HA 0.078 4.418 4.340 -0.001 0.000 0.204 233 Q C -0.924 175.128 176.000 0.086 0.000 0.872 233 Q CA 0.064 55.931 55.803 0.107 0.000 0.951 233 Q CB 0.454 29.228 28.738 0.060 0.000 1.099 233 Q HN 0.254 nan 8.270 nan 0.000 0.501 234 D N 0.934 121.394 120.400 0.100 0.000 2.549 234 D HA 0.132 4.772 4.640 -0.001 0.000 0.251 234 D C 0.611 176.972 176.300 0.101 0.000 1.153 234 D CA -0.094 53.953 54.000 0.079 0.000 0.861 234 D CB 1.958 42.797 40.800 0.064 0.000 1.207 234 D HN 0.063 nan 8.370 nan 0.000 0.543 235 S N 3.592 119.337 115.700 0.074 0.000 2.442 235 S HA -0.151 4.318 4.470 -0.001 0.000 0.236 235 S C 1.500 176.146 174.600 0.077 0.000 1.007 235 S CA 0.592 58.834 58.200 0.069 0.000 0.965 235 S CB -0.081 63.136 63.200 0.029 0.000 0.773 235 S HN 0.511 nan 8.310 nan 0.000 0.504 236 R N -0.127 120.414 120.500 0.068 0.000 2.316 236 R HA 0.165 4.505 4.340 -0.001 0.000 0.202 236 R C 1.084 177.436 176.300 0.087 0.000 1.029 236 R CA 0.871 57.008 56.100 0.062 0.000 1.018 236 R CB -0.542 29.783 30.300 0.041 0.000 0.888 236 R HN 0.461 nan 8.270 nan 0.000 0.471 237 c N 0.705 119.382 118.600 0.129 0.000 2.754 237 c HA 0.369 4.939 4.570 -0.001 0.000 0.276 237 c C 1.200 175.478 174.090 0.313 0.000 1.264 237 c CA -1.070 55.371 56.329 0.186 0.000 1.700 237 c CB -1.150 41.472 42.510 0.187 0.000 1.885 237 c HN 0.400 nan 8.230 nan 0.000 0.607 238 A N 0.514 123.478 122.820 0.241 0.000 2.483 238 A HA 0.299 4.619 4.320 -0.001 0.000 0.238 238 A C -0.079 177.709 177.584 0.340 0.000 1.070 238 A CA 0.068 52.248 52.037 0.238 0.000 0.770 238 A CB 0.129 19.202 19.000 0.121 0.000 1.008 238 A HN 0.588 nan 8.150 nan 0.000 0.497 239 W N 1.605 123.015 121.300 0.184 0.000 2.257 239 W HA 0.235 4.894 4.660 -0.001 0.000 0.337 239 W C 0.529 177.094 176.519 0.076 0.000 1.321 239 W CA -0.642 56.774 57.345 0.118 0.000 1.267 239 W CB -0.612 28.944 29.460 0.160 0.000 1.187 239 W HN 0.610 nan 8.180 nan 0.000 0.565 240 S N 3.974 119.796 115.700 0.204 0.000 2.576 240 S HA 0.374 4.844 4.470 -0.001 0.000 0.276 240 S C 0.428 175.194 174.600 0.276 0.000 1.339 240 S CA -0.744 57.516 58.200 0.099 0.000 1.039 240 S CB 0.691 63.748 63.200 -0.239 0.000 0.902 240 S HN 0.128 nan 8.310 nan 0.000 0.516 241 R N 2.535 123.168 120.500 0.221 0.000 2.312 241 R HA 0.433 4.773 4.340 -0.001 0.000 0.311 241 R C -0.784 175.654 176.300 0.230 0.000 1.004 241 R CA -0.416 55.815 56.100 0.217 0.000 0.902 241 R CB 0.635 31.020 30.300 0.141 0.000 1.073 241 R HN 0.602 nan 8.270 nan 0.000 0.457 242 D N 3.520 124.040 120.400 0.199 0.000 2.855 242 D HA 0.264 4.903 4.640 -0.001 0.000 0.241 242 D C -1.926 174.413 176.300 0.065 0.000 1.277 242 D CA -1.896 52.183 54.000 0.132 0.000 0.918 242 D CB 2.300 43.156 40.800 0.094 0.000 1.462 242 D HN 0.041 nan 8.370 nan 0.000 0.559 243 P HA -0.062 nan 4.420 nan 0.000 0.218 243 P C 0.936 178.245 177.300 0.014 0.000 1.146 243 P CA 0.859 63.979 63.100 0.034 0.000 0.813 243 P CB 0.297 32.015 31.700 0.030 0.000 0.778 244 A N -0.774 122.045 122.820 -0.001 0.000 2.119 244 A HA 0.298 4.617 4.320 -0.001 0.000 0.216 244 A C 1.340 178.903 177.584 -0.035 0.000 1.152 244 A CA 0.553 52.577 52.037 -0.021 0.000 0.708 244 A CB -0.954 18.026 19.000 -0.033 0.000 0.805 244 A HN 0.260 nan 8.150 nan 0.000 0.460 245 A N -0.763 122.035 122.820 -0.036 0.000 2.371 245 A HA 0.560 4.880 4.320 -0.001 0.000 0.257 245 A C 1.380 178.961 177.584 -0.004 0.000 1.089 245 A CA 0.229 52.245 52.037 -0.036 0.000 0.794 245 A CB 0.258 19.237 19.000 -0.035 0.000 1.029 245 A HN 1.045 nan 8.150 nan 0.000 0.488 246 A N 0.851 123.667 122.820 -0.008 0.000 2.119 246 A HA 0.131 4.451 4.320 -0.001 0.000 0.217 246 A C 0.947 178.547 177.584 0.027 0.000 1.153 246 A CA 1.497 53.536 52.037 0.003 0.000 0.692 246 A CB -0.161 18.832 19.000 -0.011 0.000 0.799 246 A HN 0.857 nan 8.150 nan 0.000 0.458 247 Q N -1.070 118.759 119.800 0.047 0.000 2.315 247 Q HA 0.573 4.913 4.340 -0.001 0.000 0.273 247 Q C -1.061 175.007 176.000 0.114 0.000 1.053 247 Q CA -0.614 55.237 55.803 0.081 0.000 0.817 247 Q CB 1.895 30.690 28.738 0.095 0.000 1.326 247 Q HN 0.308 nan 8.270 nan 0.000 0.423 248 A N 1.658 124.554 122.820 0.126 0.000 2.524 248 A HA 0.481 4.801 4.320 -0.001 0.000 0.250 248 A C 1.127 178.862 177.584 0.251 0.000 1.078 248 A CA 1.130 53.262 52.037 0.158 0.000 0.761 248 A CB -0.606 18.469 19.000 0.125 0.000 1.012 248 A HN 1.455 nan 8.150 nan 0.000 0.500 249 G N 1.333 110.315 108.800 0.304 0.000 2.175 249 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.244 249 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.244 249 G C 0.300 175.441 174.900 0.401 0.000 0.982 249 G CA 0.336 45.725 45.100 0.483 0.000 0.641 249 G HN 1.908 nan 8.290 nan 0.000 0.527 250 I N -0.760 119.951 120.570 0.235 0.000 2.793 250 I HA 0.785 4.954 4.170 -0.001 0.000 0.313 250 I C 0.347 176.458 176.117 -0.009 0.000 0.998 250 I CA -0.775 60.578 61.300 0.089 0.000 1.140 250 I CB 1.530 39.571 38.000 0.069 0.000 1.327 250 I HN -0.040 nan 8.210 nan 0.000 0.491 251 T N 5.227 119.727 114.554 -0.089 0.000 2.834 251 T HA 0.253 4.602 4.350 -0.001 0.000 0.298 251 T C -2.305 172.233 174.700 -0.270 0.000 0.966 251 T CA -0.482 61.444 62.100 -0.290 0.000 1.141 251 T CB 0.224 69.017 68.868 -0.125 0.000 0.905 251 T HN 0.495 nan 8.240 nan 0.000 0.535 252 P HA 0.138 nan 4.420 nan 0.000 0.267 252 P C 0.502 177.719 177.300 -0.137 0.000 1.200 252 P CA -0.200 62.766 63.100 -0.222 0.000 0.772 252 P CB 0.418 31.971 31.700 -0.245 0.000 0.855 253 A N 3.442 126.208 122.820 -0.089 0.000 1.940 253 A HA -0.174 4.145 4.320 -0.001 0.000 0.219 253 A C 2.091 179.657 177.584 -0.030 0.000 1.176 253 A CA 2.073 54.074 52.037 -0.060 0.000 0.631 253 A CB -1.640 17.324 19.000 -0.059 0.000 0.814 253 A HN 0.560 nan 8.150 nan 0.000 0.446 254 A N -1.091 121.712 122.820 -0.029 0.000 2.125 254 A HA -0.152 4.168 4.320 -0.001 0.000 0.219 254 A C 1.929 179.539 177.584 0.044 0.000 1.156 254 A CA 1.473 53.512 52.037 0.002 0.000 0.671 254 A CB -0.356 18.637 19.000 -0.012 0.000 0.794 254 A HN 0.678 nan 8.150 nan 0.000 0.459 255 Q N -0.985 118.834 119.800 0.032 0.000 2.282 255 Q HA 0.330 4.670 4.340 -0.001 0.000 0.206 255 Q C -0.481 175.673 176.000 0.256 0.000 0.878 255 Q CA -0.161 55.706 55.803 0.105 0.000 0.944 255 Q CB 0.336 29.079 28.738 0.009 0.000 1.100 255 Q HN 0.557 nan 8.270 nan 0.000 0.509 256 L N 1.742 123.055 121.223 0.149 0.000 2.334 256 L HA 0.415 4.755 4.340 -0.001 0.000 0.275 256 L C -2.287 174.585 176.870 0.003 0.000 1.036 256 L CA -2.393 52.476 54.840 0.048 0.000 0.807 256 L CB 0.898 42.934 42.059 -0.038 0.000 1.231 256 L HN -0.190 nan 8.230 nan 0.000 0.438 257 P HA 0.110 nan 4.420 nan 0.000 0.267 257 P C -1.060 176.214 177.300 -0.043 0.000 1.205 257 P CA -0.001 62.893 63.100 -0.343 0.000 0.765 257 P CB 0.826 32.139 31.700 -0.644 0.000 0.828 258 V N 4.709 124.679 119.914 0.093 0.000 2.760 258 V HA 0.415 4.535 4.120 -0.001 0.000 0.309 258 V C -0.637 175.555 176.094 0.163 0.000 1.077 258 V CA -0.597 61.755 62.300 0.087 0.000 0.910 258 V CB 2.241 34.086 31.823 0.036 0.000 1.008 258 V HN 0.290 nan 8.190 nan 0.000 0.424 259 L N 5.306 126.653 121.223 0.205 0.000 2.372 259 L HA 0.715 5.054 4.340 -0.001 0.000 0.274 259 L C -1.159 175.772 176.870 0.102 0.000 0.988 259 L CA -0.372 54.558 54.840 0.149 0.000 0.833 259 L CB 1.561 43.706 42.059 0.143 0.000 1.236 259 L HN 0.650 nan 8.230 nan 0.000 0.410 260 L N 5.762 127.018 121.223 0.055 0.000 2.316 260 L HA 0.682 5.022 4.340 -0.001 0.000 0.280 260 L C -0.615 176.261 176.870 0.009 0.000 1.006 260 L CA 0.135 54.995 54.840 0.033 0.000 0.836 260 L CB 0.806 42.877 42.059 0.021 0.000 1.221 260 L HN 0.678 nan 8.230 nan 0.000 0.418 261 R N 3.259 123.759 120.500 0.000 0.000 2.922 261 R HA 0.583 4.922 4.340 -0.001 0.000 0.256 261 R C 0.047 176.339 176.300 -0.013 0.000 1.138 261 R CA -0.834 55.250 56.100 -0.027 0.000 0.995 261 R CB 1.768 32.020 30.300 -0.080 0.000 1.226 261 R HN 0.481 nan 8.270 nan 0.000 0.481 262 R N 0.106 120.594 120.500 -0.021 0.000 2.476 262 R HA 0.035 4.375 4.340 -0.001 0.000 0.276 262 R C 0.059 176.366 176.300 0.011 0.000 0.941 262 R CA 0.272 56.372 56.100 0.000 0.000 1.088 262 R CB 0.459 30.758 30.300 -0.002 0.000 1.216 262 R HN 0.615 nan 8.270 nan 0.000 0.533 263 D N 0.683 121.074 120.400 -0.014 0.000 2.648 263 D HA -0.018 4.622 4.640 -0.001 0.000 0.261 263 D C 0.578 176.963 176.300 0.141 0.000 1.261 263 D CA 0.602 54.622 54.000 0.033 0.000 1.011 263 D CB -0.138 40.652 40.800 -0.017 0.000 1.092 263 D HN 0.059 nan 8.370 nan 0.000 0.417 264 F N -0.685 119.263 119.950 -0.004 0.000 2.668 264 F HA 0.638 5.164 4.527 -0.001 0.000 0.309 264 F C -1.418 174.384 175.800 0.004 0.000 1.117 264 F CA -1.655 56.345 58.000 0.000 0.000 0.951 264 F CB 1.472 40.462 39.000 -0.017 0.000 1.323 264 F HN 0.109 nan 8.300 nan 0.000 0.451 265 V N 0.552 120.608 119.914 0.236 0.000 2.962 265 V HA 0.952 5.072 4.120 -0.001 0.000 0.313 265 V C -1.415 174.858 176.094 0.298 0.000 1.099 265 V CA -0.729 61.679 62.300 0.179 0.000 0.971 265 V CB 1.400 33.292 31.823 0.115 0.000 1.028 265 V HN 1.300 nan 8.190 nan 0.000 0.430 266 Q N 1.589 121.518 119.800 0.215 0.000 2.462 266 Q HA 0.651 4.991 4.340 -0.001 0.000 0.285 266 Q C -1.420 174.632 176.000 0.087 0.000 1.035 266 Q CA -0.598 55.309 55.803 0.172 0.000 0.799 266 Q CB 2.042 30.880 28.738 0.167 0.000 1.452 266 Q HN 0.923 nan 8.270 nan 0.000 0.404 267 N N 0.296 119.074 118.700 0.130 0.000 2.371 267 N HA 0.366 5.105 4.740 -0.001 0.000 0.280 267 N C -1.412 174.179 175.510 0.135 0.000 1.084 267 N CA -0.367 52.757 53.050 0.123 0.000 0.892 267 N CB 2.060 40.669 38.487 0.203 0.000 1.653 267 N HN 0.608 nan 8.380 nan 0.000 0.480 268 S N 2.276 118.058 115.700 0.136 0.000 2.422 268 S HA 0.261 4.731 4.470 -0.001 0.000 0.226 268 S C 0.102 174.785 174.600 0.138 0.000 1.242 268 S CA -0.444 57.833 58.200 0.127 0.000 1.231 268 S CB -0.575 62.731 63.200 0.178 0.000 1.067 268 S HN 0.827 nan 8.310 nan 0.000 0.462 269 N N 0.944 119.736 118.700 0.153 0.000 2.936 269 N HA -0.145 4.595 4.740 -0.001 0.000 0.236 269 N C -0.606 175.004 175.510 0.167 0.000 0.930 269 N CA 1.082 54.236 53.050 0.173 0.000 0.966 269 N CB -0.798 37.789 38.487 0.166 0.000 1.090 269 N HN 0.457 nan 8.380 nan 0.000 0.592 270 D N 0.345 120.839 120.400 0.156 0.000 2.433 270 D HA 0.240 4.880 4.640 -0.001 0.000 0.255 270 D C 0.954 177.352 176.300 0.162 0.000 1.226 270 D CA 0.116 54.208 54.000 0.153 0.000 1.015 270 D CB 0.501 41.389 40.800 0.147 0.000 1.091 270 D HN 0.227 nan 8.370 nan 0.000 0.527 271 S N -0.844 114.956 115.700 0.168 0.000 2.617 271 S HA 0.229 4.699 4.470 -0.001 0.000 0.255 271 S C 1.205 175.897 174.600 0.153 0.000 1.318 271 S CA -0.050 58.250 58.200 0.167 0.000 0.978 271 S CB 0.832 64.128 63.200 0.161 0.000 0.961 271 S HN 0.506 nan 8.310 nan 0.000 0.582 272 A N -0.134 122.773 122.820 0.144 0.000 2.070 272 A HA -0.028 4.292 4.320 -0.001 0.000 0.220 272 A C 1.703 179.328 177.584 0.067 0.000 1.159 272 A CA 1.337 53.407 52.037 0.055 0.000 0.656 272 A CB -1.375 17.684 19.000 0.100 0.000 0.800 272 A HN 0.982 nan 8.150 nan 0.000 0.453 273 W N 0.499 121.789 121.300 -0.015 0.000 2.289 273 W HA -0.206 4.454 4.660 -0.001 0.000 0.331 273 W C 1.061 177.579 176.519 -0.002 0.000 1.283 273 W CA 2.064 59.426 57.345 0.027 0.000 1.252 273 W CB -0.610 28.886 29.460 0.060 0.000 1.153 273 W HN 0.214 nan 8.180 nan 0.000 0.467 274 L N 0.767 121.911 121.223 -0.132 0.000 2.984 274 L HA 0.114 4.453 4.340 -0.001 0.000 0.246 274 L C 1.757 178.521 176.870 -0.176 0.000 1.268 274 L CA 0.051 54.703 54.840 -0.314 0.000 1.054 274 L CB -0.485 41.294 42.059 -0.466 0.000 1.393 274 L HN -0.163 nan 8.230 nan 0.000 0.532 275 T N -0.057 114.370 114.554 -0.212 0.000 2.649 275 T HA -0.213 4.137 4.350 -0.001 0.000 0.268 275 T C 1.020 175.632 174.700 -0.146 0.000 1.036 275 T CA 1.601 63.531 62.100 -0.283 0.000 1.157 275 T CB -0.170 68.333 68.868 -0.609 0.000 0.861 275 T HN 0.285 nan 8.240 nan 0.000 0.445 276 N N -0.008 118.576 118.700 -0.193 0.000 2.533 276 N HA 0.236 4.975 4.740 -0.001 0.000 0.289 276 N C -2.728 172.663 175.510 -0.198 0.000 1.103 276 N CA -1.951 50.938 53.050 -0.268 0.000 0.877 276 N CB 2.173 40.340 38.487 -0.535 0.000 1.419 276 N HN -0.158 nan 8.380 nan 0.000 0.517 277 P HA -0.053 nan 4.420 nan 0.000 0.221 277 P C 0.862 178.096 177.300 -0.111 0.000 1.145 277 P CA 0.982 63.995 63.100 -0.145 0.000 0.795 277 P CB 0.312 31.953 31.700 -0.099 0.000 0.775 278 A N -1.485 121.265 122.820 -0.118 0.000 2.121 278 A HA -0.004 4.316 4.320 -0.001 0.000 0.218 278 A C 1.545 179.084 177.584 -0.075 0.000 1.154 278 A CA 1.218 53.201 52.037 -0.091 0.000 0.679 278 A CB -0.567 18.367 19.000 -0.109 0.000 0.795 278 A HN 0.188 nan 8.150 nan 0.000 0.458 279 S N 0.266 115.914 115.700 -0.086 0.000 2.317 279 S HA 0.449 4.919 4.470 -0.001 0.000 0.144 279 S C -3.067 171.529 174.600 -0.006 0.000 1.660 279 S CA -1.328 56.848 58.200 -0.040 0.000 1.273 279 S CB 0.172 63.341 63.200 -0.053 0.000 1.330 279 S HN 0.069 nan 8.310 nan 0.000 0.395 280 P HA 0.178 nan 4.420 nan 0.000 0.268 280 P C -0.918 176.517 177.300 0.224 0.000 1.205 280 P CA -0.143 63.017 63.100 0.100 0.000 0.771 280 P CB 0.461 32.268 31.700 0.178 0.000 0.858 281 L N 3.770 125.183 121.223 0.317 0.000 2.265 281 L HA 0.354 4.694 4.340 -0.001 0.000 0.289 281 L C 0.591 177.779 176.870 0.530 0.000 1.033 281 L CA 0.015 55.103 54.840 0.414 0.000 0.814 281 L CB 0.392 42.641 42.059 0.316 0.000 1.203 281 L HN 0.360 nan 8.230 nan 0.000 0.423 282 Q N 1.434 121.499 119.800 0.442 0.000 2.501 282 Q HA 0.534 4.874 4.340 -0.001 0.000 0.288 282 Q C 0.391 176.386 176.000 -0.008 0.000 1.051 282 Q CA -0.498 55.451 55.803 0.244 0.000 0.788 282 Q CB 2.386 31.210 28.738 0.143 0.000 1.469 282 Q HN 0.740 nan 8.270 nan 0.000 0.416 283 G N 0.420 109.187 108.800 -0.055 0.000 2.137 283 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.237 283 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.237 283 G C -0.547 174.150 174.900 -0.339 0.000 1.002 283 G CA -0.075 44.904 45.100 -0.201 0.000 0.702 283 G HN 0.321 nan 8.290 nan 0.000 0.515 284 F N 0.761 120.714 119.950 0.005 0.000 2.380 284 F HA 0.708 5.235 4.527 -0.000 0.000 0.321 284 F C 1.280 177.076 175.800 -0.006 0.000 1.103 284 F CA -0.099 57.908 58.000 0.011 0.000 1.067 284 F CB 1.226 40.242 39.000 0.026 0.000 1.265 284 F HN 0.097 nan 8.300 nan 0.000 0.517 285 S N 2.631 118.452 115.700 0.201 0.000 2.563 285 S HA 0.059 4.529 4.470 -0.001 0.000 0.284 285 S C -1.354 173.280 174.600 0.057 0.000 1.331 285 S CA -1.128 57.127 58.200 0.092 0.000 1.047 285 S CB 0.575 63.825 63.200 0.082 0.000 0.859 285 S HN 0.387 nan 8.310 nan 0.000 0.514 286 P HA -0.082 nan 4.420 nan 0.000 0.221 286 P C 1.198 178.464 177.300 -0.057 0.000 1.145 286 P CA 1.072 64.156 63.100 -0.027 0.000 0.795 286 P CB -0.063 31.609 31.700 -0.046 0.000 0.775 287 L N -1.679 119.498 121.223 -0.077 0.000 2.478 287 L HA -0.042 4.297 4.340 -0.001 0.000 0.223 287 L C 2.301 179.095 176.870 -0.126 0.000 1.140 287 L CA 0.623 55.380 54.840 -0.139 0.000 0.842 287 L CB -0.360 41.590 42.059 -0.183 0.000 0.953 287 L HN -0.135 nan 8.230 nan 0.000 0.452 288 V N -2.698 117.186 119.914 -0.050 0.000 2.599 288 V HA 0.144 4.264 4.120 -0.001 0.000 0.237 288 V C 0.659 176.734 176.094 -0.032 0.000 1.081 288 V CA 0.495 62.772 62.300 -0.038 0.000 1.107 288 V CB 0.903 32.748 31.823 0.037 0.000 0.808 288 V HN 0.282 nan 8.190 nan 0.000 0.486 289 S N -0.633 115.077 115.700 0.016 0.000 2.563 289 S HA 0.516 4.985 4.470 -0.001 0.000 0.279 289 S C -1.538 173.093 174.600 0.051 0.000 1.155 289 S CA -0.602 57.614 58.200 0.026 0.000 0.928 289 S CB 1.530 64.707 63.200 -0.038 0.000 1.107 289 S HN 0.391 nan 8.310 nan 0.000 0.462 290 Q N 1.878 121.687 119.800 0.015 0.000 2.433 290 Q HA 0.399 4.739 4.340 -0.001 0.000 0.279 290 Q C -0.964 174.947 176.000 -0.147 0.000 1.105 290 Q CA -0.902 54.865 55.803 -0.060 0.000 0.815 290 Q CB 2.097 30.799 28.738 -0.059 0.000 1.403 290 Q HN 0.668 nan 8.270 nan 0.000 0.435 291 E N 1.752 121.707 120.200 -0.408 0.000 2.148 291 E HA 0.095 4.444 4.350 -0.001 0.000 0.308 291 E C -0.601 175.689 176.600 -0.516 0.000 1.278 291 E CA -0.080 55.741 56.400 -0.964 0.000 1.368 291 E CB 0.223 28.935 29.700 -1.647 0.000 1.229 291 E HN -0.033 nan 8.360 nan 0.000 0.494 292 K N 1.691 122.033 120.400 -0.097 0.000 2.098 292 K HA 0.345 4.664 4.320 -0.001 0.000 0.261 292 K C -2.356 174.293 176.600 0.081 0.000 0.987 292 K CA -2.575 53.694 56.287 -0.031 0.000 0.916 292 K CB 0.479 32.974 32.500 -0.008 0.000 1.039 292 K HN 0.063 nan 8.250 nan 0.000 0.455 293 P HA 0.028 nan 4.420 nan 0.000 0.265 293 P C -0.054 177.230 177.300 -0.027 0.000 1.193 293 P CA -0.010 62.842 63.100 -0.413 0.000 0.765 293 P CB 0.125 31.245 31.700 -0.967 0.000 0.823 294 I N -0.341 120.285 120.570 0.093 0.000 2.720 294 I HA 0.486 4.656 4.170 -0.001 0.000 0.287 294 I C 0.853 177.046 176.117 0.127 0.000 1.090 294 I CA -0.601 60.772 61.300 0.122 0.000 1.384 294 I CB 0.388 38.454 38.000 0.110 0.000 1.420 294 I HN 0.249 nan 8.210 nan 0.000 0.575 295 G N 3.449 112.340 108.800 0.151 0.000 2.634 295 G HA2 0.343 4.303 3.960 -0.001 0.000 0.255 295 G HA3 0.343 4.303 3.960 -0.001 0.000 0.255 295 G C -1.490 173.551 174.900 0.235 0.000 1.205 295 G CA -1.064 44.149 45.100 0.188 0.000 0.884 295 G HN 0.674 nan 8.290 nan 0.000 0.549 296 P HA -0.050 nan 4.420 nan 0.000 0.223 296 P C 1.535 179.056 177.300 0.369 0.000 1.151 296 P CA 0.666 64.021 63.100 0.424 0.000 0.787 296 P CB 0.315 32.308 31.700 0.488 0.000 0.788 297 R N 0.218 120.904 120.500 0.311 0.000 2.073 297 R HA -0.034 4.306 4.340 -0.001 0.000 0.234 297 R C 2.513 179.025 176.300 0.352 0.000 1.134 297 R CA 1.647 57.971 56.100 0.375 0.000 0.952 297 R CB -0.983 29.521 30.300 0.341 0.000 0.850 297 R HN 0.131 nan 8.270 nan 0.000 0.433 298 A N 0.972 123.937 122.820 0.242 0.000 1.930 298 A HA -0.178 4.142 4.320 -0.001 0.000 0.217 298 A C 2.123 179.731 177.584 0.039 0.000 1.175 298 A CA 1.286 53.416 52.037 0.155 0.000 0.627 298 A CB -0.436 18.639 19.000 0.125 0.000 0.815 298 A HN 0.223 nan 8.150 nan 0.000 0.443 299 R N -1.901 118.636 120.500 0.060 0.000 2.081 299 R HA -0.195 4.145 4.340 -0.001 0.000 0.235 299 R C 2.083 178.164 176.300 -0.365 0.000 1.131 299 R CA 1.921 58.022 56.100 0.002 0.000 0.960 299 R CB -0.523 29.931 30.300 0.256 0.000 0.856 299 R HN 0.629 nan 8.270 nan 0.000 0.436 300 Y N 0.645 120.454 120.300 -0.818 0.000 2.097 300 Y HA -0.236 4.314 4.550 -0.000 0.000 0.282 300 Y C 2.075 177.582 175.900 -0.655 0.000 1.152 300 Y CA 1.737 59.100 58.100 -1.229 0.000 1.136 300 Y CB -0.645 37.290 38.460 -0.875 0.000 0.975 300 Y HN 0.170 nan 8.280 nan 0.000 0.498 301 A N 0.600 123.076 122.820 -0.573 0.000 1.883 301 A HA -0.194 4.126 4.320 -0.001 0.000 0.217 301 A C 2.334 179.589 177.584 -0.547 0.000 1.186 301 A CA 2.060 53.715 52.037 -0.637 0.000 0.624 301 A CB -1.275 17.585 19.000 -0.234 0.000 0.822 301 A HN 0.586 nan 8.150 nan 0.000 0.444 302 L N 0.490 121.497 121.223 -0.359 0.000 2.131 302 L HA -0.168 4.172 4.340 -0.001 0.000 0.210 302 L C 2.932 179.618 176.870 -0.306 0.000 1.092 302 L CA 1.460 56.132 54.840 -0.279 0.000 0.759 302 L CB -0.459 41.527 42.059 -0.121 0.000 0.903 302 L HN 0.636 nan 8.230 nan 0.000 0.435 303 S N -0.560 114.922 115.700 -0.364 0.000 2.447 303 S HA -0.098 4.372 4.470 -0.001 0.000 0.233 303 S C 2.012 176.399 174.600 -0.354 0.000 1.006 303 S CA 0.480 58.505 58.200 -0.291 0.000 0.957 303 S CB -0.116 62.940 63.200 -0.240 0.000 0.773 303 S HN 0.362 nan 8.310 nan 0.000 0.507 304 R N 0.315 120.499 120.500 -0.526 0.000 2.237 304 R HA 0.416 4.756 4.340 -0.001 0.000 0.195 304 R C 1.951 177.994 176.300 -0.429 0.000 0.956 304 R CA 0.327 56.129 56.100 -0.497 0.000 1.029 304 R CB -0.548 29.337 30.300 -0.691 0.000 0.972 304 R HN 0.440 nan 8.270 nan 0.000 0.493 305 L N 0.583 121.499 121.223 -0.512 0.000 2.298 305 L HA 0.098 4.437 4.340 -0.001 0.000 0.209 305 L C 0.940 177.513 176.870 -0.495 0.000 1.084 305 L CA 0.411 54.858 54.840 -0.655 0.000 0.816 305 L CB -0.042 41.315 42.059 -1.170 0.000 0.967 305 L HN 0.032 nan 8.230 nan 0.000 0.460 306 Q N 0.367 119.985 119.800 -0.303 0.000 2.392 306 Q HA 0.374 4.714 4.340 -0.001 0.000 0.262 306 Q C 0.397 176.369 176.000 -0.047 0.000 1.003 306 Q CA 0.837 56.609 55.803 -0.051 0.000 0.888 306 Q CB 0.991 29.724 28.738 -0.008 0.000 1.260 306 Q HN 0.318 nan 8.270 nan 0.000 0.435 307 G N 0.946 109.757 108.800 0.019 0.000 2.342 307 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.220 307 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.220 307 G C -0.360 174.547 174.900 0.012 0.000 1.243 307 G CA -0.584 44.514 45.100 -0.004 0.000 1.083 307 G HN 0.456 nan 8.290 nan 0.000 0.500 308 K N -0.111 120.285 120.400 -0.007 0.000 2.412 308 K HA 0.204 4.524 4.320 -0.001 0.000 0.202 308 K C 0.605 177.198 176.600 -0.011 0.000 1.102 308 K CA 0.071 56.358 56.287 -0.002 0.000 1.027 308 K CB 0.581 33.078 32.500 -0.006 0.000 0.931 308 K HN 0.427 nan 8.250 nan 0.000 0.557 309 Q N 1.717 121.501 119.800 -0.027 0.000 2.332 309 Q HA 0.219 4.559 4.340 -0.001 0.000 0.263 309 Q C -2.337 173.642 176.000 -0.034 0.000 0.979 309 Q CA -2.068 53.714 55.803 -0.035 0.000 0.885 309 Q CB 0.112 28.819 28.738 -0.051 0.000 1.218 309 Q HN -0.017 nan 8.270 nan 0.000 0.405 310 P HA 0.095 nan 4.420 nan 0.000 0.269 310 P C -0.654 176.622 177.300 -0.041 0.000 1.209 310 P CA 0.018 63.104 63.100 -0.024 0.000 0.776 310 P CB 0.493 32.182 31.700 -0.019 0.000 0.876 311 L N 2.569 123.770 121.223 -0.037 0.000 2.272 311 L HA 0.379 4.719 4.340 -0.001 0.000 0.289 311 L C 1.085 177.930 176.870 -0.042 0.000 1.032 311 L CA -0.464 54.343 54.840 -0.055 0.000 0.810 311 L CB 0.765 42.785 42.059 -0.064 0.000 1.205 311 L HN 0.432 nan 8.230 nan 0.000 0.422 312 E N 2.521 122.689 120.200 -0.053 0.000 2.239 312 E HA 0.528 4.877 4.350 -0.001 0.000 0.261 312 E C 0.611 177.178 176.600 -0.055 0.000 1.016 312 E CA -0.560 55.810 56.400 -0.049 0.000 0.882 312 E CB 1.633 31.303 29.700 -0.051 0.000 1.190 312 E HN 0.523 nan 8.360 nan 0.000 0.415 313 A N 1.622 124.409 122.820 -0.054 0.000 1.903 313 A HA -0.291 4.029 4.320 -0.001 0.000 0.219 313 A C 2.129 179.670 177.584 -0.072 0.000 1.191 313 A CA 2.293 54.295 52.037 -0.057 0.000 0.638 313 A CB -0.747 18.214 19.000 -0.065 0.000 0.823 313 A HN 0.775 nan 8.150 nan 0.000 0.451 314 K N -0.860 119.486 120.400 -0.089 0.000 2.074 314 K HA -0.187 4.133 4.320 -0.001 0.000 0.209 314 K C 1.989 178.517 176.600 -0.120 0.000 1.048 314 K CA 2.033 58.249 56.287 -0.119 0.000 0.926 314 K CB -0.469 31.968 32.500 -0.106 0.000 0.713 314 K HN 0.529 nan 8.250 nan 0.000 0.444 315 T N 2.297 116.792 114.554 -0.099 0.000 2.684 315 T HA -0.149 4.200 4.350 -0.001 0.000 0.267 315 T C 1.914 176.558 174.700 -0.093 0.000 1.036 315 T CA 1.541 63.579 62.100 -0.104 0.000 1.148 315 T CB -0.181 68.623 68.868 -0.107 0.000 0.863 315 T HN 0.187 nan 8.240 nan 0.000 0.436 316 L N 0.654 121.839 121.223 -0.064 0.000 2.056 316 L HA -0.060 4.280 4.340 -0.001 0.000 0.207 316 L C 2.853 179.747 176.870 0.040 0.000 1.078 316 L CA 1.511 56.347 54.840 -0.007 0.000 0.749 316 L CB -0.665 41.406 42.059 0.021 0.000 0.901 316 L HN 0.386 nan 8.230 nan 0.000 0.433 317 E N 0.958 121.132 120.200 -0.043 0.000 2.058 317 E HA -0.271 4.079 4.350 -0.001 0.000 0.194 317 E C 1.912 178.357 176.600 -0.259 0.000 0.997 317 E CA 1.672 57.921 56.400 -0.252 0.000 0.801 317 E CB 0.032 29.409 29.700 -0.538 0.000 0.746 317 E HN 0.489 nan 8.360 nan 0.000 0.450 318 E N -0.258 119.829 120.200 -0.188 0.000 2.274 318 E HA -0.130 4.220 4.350 -0.001 0.000 0.194 318 E C 2.079 178.666 176.600 -0.021 0.000 0.996 318 E CA 0.775 57.093 56.400 -0.137 0.000 0.840 318 E CB -0.036 29.583 29.700 -0.136 0.000 0.772 318 E HN 0.422 nan 8.360 nan 0.000 0.491 319 M N 0.106 119.723 119.600 0.029 0.000 2.279 319 M HA -0.155 4.325 4.480 -0.001 0.000 0.264 319 M C 2.116 178.584 176.300 0.280 0.000 1.062 319 M CA 1.034 56.415 55.300 0.136 0.000 1.099 319 M CB 0.045 32.646 32.600 0.001 0.000 1.394 319 M HN 0.031 nan 8.290 nan 0.000 0.426 320 V N -0.465 119.633 119.914 0.306 0.000 2.300 320 V HA -0.162 3.958 4.120 -0.001 0.000 0.241 320 V C 2.485 178.712 176.094 0.220 0.000 1.034 320 V CA 2.175 64.708 62.300 0.388 0.000 1.021 320 V CB -1.132 31.025 31.823 0.557 0.000 0.662 320 V HN 0.563 nan 8.190 nan 0.000 0.458 321 T N -1.153 113.444 114.554 0.071 0.000 3.085 321 T HA 0.077 4.427 4.350 -0.001 0.000 0.263 321 T C 1.744 176.425 174.700 -0.031 0.000 1.127 321 T CA 1.011 63.096 62.100 -0.024 0.000 1.103 321 T CB -0.159 68.578 68.868 -0.219 0.000 0.921 321 T HN 0.398 nan 8.240 nan 0.000 0.510 322 A N 2.305 125.119 122.820 -0.010 0.000 2.015 322 A HA -0.016 4.304 4.320 -0.001 0.000 0.219 322 A C 1.374 178.950 177.584 -0.013 0.000 1.163 322 A CA 0.874 52.900 52.037 -0.019 0.000 0.646 322 A CB -0.649 18.349 19.000 -0.002 0.000 0.806 322 A HN 0.591 nan 8.150 nan 0.000 0.448 323 N N -0.663 118.041 118.700 0.008 0.000 2.721 323 N HA -0.213 4.527 4.740 -0.001 0.000 0.249 323 N C -0.181 175.272 175.510 -0.095 0.000 1.072 323 N CA 1.252 54.291 53.050 -0.017 0.000 0.710 323 N CB -1.880 36.605 38.487 -0.004 0.000 0.993 323 N HN 0.848 nan 8.380 nan 0.000 0.547 324 H N -0.038 118.905 119.070 -0.213 0.000 2.848 324 H HA 0.306 4.862 4.556 -0.000 0.000 0.317 324 H C -0.016 175.170 175.328 -0.237 0.000 1.046 324 H CA 0.015 55.909 56.048 -0.257 0.000 1.470 324 H CB 0.673 30.302 29.762 -0.221 0.000 1.483 324 H HN -0.038 nan 8.280 nan 0.000 0.548 325 V N 8.952 128.410 119.914 -0.760 0.000 2.276 325 V HA -0.074 4.045 4.120 -0.001 0.000 0.249 325 V C 1.178 176.946 176.094 -0.544 0.000 1.160 325 V CA 0.091 62.103 62.300 -0.479 0.000 1.042 325 V CB -1.364 30.256 31.823 -0.338 0.000 1.224 325 V HN 0.795 nan 8.190 nan 0.000 0.496 326 F N 3.210 122.917 119.950 -0.405 0.000 2.269 326 F HA -0.141 4.386 4.527 -0.001 0.000 0.301 326 F C 2.343 178.182 175.800 0.066 0.000 1.082 326 F CA 1.782 59.696 58.000 -0.144 0.000 1.360 326 F CB 0.143 39.216 39.000 0.121 0.000 1.041 326 F HN 0.445 nan 8.300 nan 0.000 0.512 327 S N 0.331 116.136 115.700 0.174 0.000 2.419 327 S HA -0.206 4.264 4.470 -0.001 0.000 0.235 327 S C 2.340 177.096 174.600 0.261 0.000 1.019 327 S CA 0.915 59.299 58.200 0.306 0.000 0.982 327 S CB -0.756 62.825 63.200 0.634 0.000 0.789 327 S HN 0.538 nan 8.310 nan 0.000 0.490 328 A N 1.850 124.636 122.820 -0.057 0.000 1.978 328 A HA -0.185 4.135 4.320 -0.001 0.000 0.220 328 A C 1.737 179.216 177.584 -0.176 0.000 1.170 328 A CA 1.819 53.654 52.037 -0.336 0.000 0.636 328 A CB -0.698 17.841 19.000 -0.768 0.000 0.810 328 A HN 0.370 nan 8.150 nan 0.000 0.448 329 D N -0.585 119.664 120.400 -0.252 0.000 2.182 329 D HA -0.144 4.496 4.640 -0.001 0.000 0.201 329 D C 2.048 178.275 176.300 -0.122 0.000 0.986 329 D CA 1.611 55.475 54.000 -0.226 0.000 0.847 329 D CB -0.198 40.336 40.800 -0.443 0.000 0.942 329 D HN 0.558 nan 8.370 nan 0.000 0.467 330 Q N -0.946 118.823 119.800 -0.052 0.000 2.354 330 Q HA 0.112 4.452 4.340 -0.001 0.000 0.203 330 Q C 1.727 177.879 176.000 0.254 0.000 0.933 330 Q CA 0.375 56.256 55.803 0.129 0.000 0.901 330 Q CB 0.653 29.526 28.738 0.225 0.000 1.007 330 Q HN 0.160 nan 8.270 nan 0.000 0.495 331 V N -1.106 118.932 119.914 0.207 0.000 3.090 331 V HA 0.016 4.135 4.120 -0.001 0.000 0.237 331 V C 1.452 177.582 176.094 0.061 0.000 1.209 331 V CA 0.206 62.590 62.300 0.140 0.000 1.209 331 V CB -0.021 31.888 31.823 0.144 0.000 0.971 331 V HN 0.187 nan 8.190 nan 0.000 0.477 332 L N 1.535 122.807 121.223 0.082 0.000 2.083 332 L HA -0.014 4.326 4.340 -0.001 0.000 0.209 332 L C -0.360 176.493 176.870 -0.029 0.000 1.083 332 L CA 2.518 57.366 54.840 0.014 0.000 0.752 332 L CB -1.417 40.614 42.059 -0.048 0.000 0.899 332 L HN 0.242 nan 8.230 nan 0.000 0.433 333 P HA -0.131 nan 4.420 nan 0.000 0.215 333 P C 0.980 178.269 177.300 -0.019 0.000 1.157 333 P CA 1.596 64.683 63.100 -0.022 0.000 0.868 333 P CB -0.042 31.652 31.700 -0.010 0.000 0.788 334 D N -1.204 119.193 120.400 -0.004 0.000 2.178 334 D HA -0.094 4.545 4.640 -0.001 0.000 0.202 334 D C 1.855 178.128 176.300 -0.045 0.000 0.974 334 D CA 0.670 54.669 54.000 -0.003 0.000 0.841 334 D CB -0.760 40.062 40.800 0.037 0.000 0.953 334 D HN 0.017 nan 8.370 nan 0.000 0.478 335 L N 0.549 121.713 121.223 -0.098 0.000 2.046 335 L HA -0.088 4.252 4.340 -0.001 0.000 0.208 335 L C 2.090 178.879 176.870 -0.135 0.000 1.077 335 L CA 1.328 56.056 54.840 -0.187 0.000 0.747 335 L CB -0.433 41.422 42.059 -0.340 0.000 0.896 335 L HN 0.009 nan 8.230 nan 0.000 0.432 336 L N -1.226 119.943 121.223 -0.090 0.000 2.141 336 L HA -0.186 4.154 4.340 -0.001 0.000 0.209 336 L C 2.697 179.535 176.870 -0.052 0.000 1.094 336 L CA 0.992 55.791 54.840 -0.067 0.000 0.763 336 L CB -0.444 41.586 42.059 -0.048 0.000 0.908 336 L HN 0.205 nan 8.230 nan 0.000 0.437 337 R N -0.237 120.239 120.500 -0.040 0.000 2.073 337 R HA -0.170 4.170 4.340 -0.001 0.000 0.234 337 R C 2.250 178.534 176.300 -0.027 0.000 1.134 337 R CA 1.207 57.292 56.100 -0.025 0.000 0.952 337 R CB -0.445 29.848 30.300 -0.011 0.000 0.850 337 R HN 0.214 nan 8.270 nan 0.000 0.433 338 L N 0.634 121.836 121.223 -0.034 0.000 2.042 338 L HA -0.251 4.088 4.340 -0.001 0.000 0.210 338 L C 1.907 178.753 176.870 -0.040 0.000 1.076 338 L CA 1.870 56.691 54.840 -0.031 0.000 0.749 338 L CB -0.922 41.115 42.059 -0.036 0.000 0.893 338 L HN 0.375 nan 8.230 nan 0.000 0.432 339 c N 0.432 118.995 118.600 -0.061 0.000 2.413 339 c HA -0.188 4.382 4.570 -0.001 0.000 0.277 339 c C 2.854 176.917 174.090 -0.045 0.000 1.228 339 c CA 0.992 57.284 56.329 -0.063 0.000 1.731 339 c CB -0.911 41.550 42.510 -0.081 0.000 2.042 339 c HN 0.509 nan 8.230 nan 0.000 0.468 340 R N 0.444 120.922 120.500 -0.038 0.000 2.120 340 R HA -0.113 4.227 4.340 -0.001 0.000 0.234 340 R C 1.421 177.708 176.300 -0.021 0.000 1.123 340 R CA 1.326 57.409 56.100 -0.028 0.000 0.975 340 R CB -0.446 29.840 30.300 -0.024 0.000 0.866 340 R HN 0.561 nan 8.270 nan 0.000 0.446 341 D N 0.167 120.556 120.400 -0.019 0.000 2.348 341 D HA -0.036 4.604 4.640 -0.001 0.000 0.216 341 D C 0.323 176.617 176.300 -0.011 0.000 0.970 341 D CA 0.876 54.869 54.000 -0.011 0.000 0.889 341 D CB 0.038 40.834 40.800 -0.006 0.000 0.912 341 D HN 0.182 nan 8.370 nan 0.000 0.524 342 N N 0.504 119.193 118.700 -0.017 0.000 2.571 342 N HA 0.075 4.815 4.740 -0.001 0.000 0.298 342 N C 0.569 176.067 175.510 -0.020 0.000 1.671 342 N CA -0.008 53.033 53.050 -0.016 0.000 0.900 342 N CB 0.946 39.424 38.487 -0.015 0.000 1.365 342 N HN 0.167 nan 8.380 nan 0.000 0.493 343 Q N -0.305 119.484 119.800 -0.020 0.000 2.437 343 Q HA 0.003 4.343 4.340 -0.001 0.000 0.210 343 Q C 1.845 177.834 176.000 -0.018 0.000 0.972 343 Q CA 0.869 56.659 55.803 -0.022 0.000 0.903 343 Q CB 0.135 28.861 28.738 -0.020 0.000 0.967 343 Q HN 0.350 nan 8.270 nan 0.000 0.486 344 G N 0.512 109.304 108.800 -0.013 0.000 2.650 344 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.214 344 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.214 344 G C 0.308 175.202 174.900 -0.010 0.000 1.136 344 G CA -0.040 45.054 45.100 -0.010 0.000 0.789 344 G HN 0.109 nan 8.290 nan 0.000 0.536 345 E N 0.792 120.985 120.200 -0.012 0.000 2.052 345 E HA 0.213 4.563 4.350 -0.001 0.000 0.283 345 E C 0.419 177.011 176.600 -0.014 0.000 1.071 345 E CA -0.204 56.190 56.400 -0.010 0.000 0.851 345 E CB 1.530 31.224 29.700 -0.009 0.000 1.066 345 E HN 0.211 nan 8.360 nan 0.000 0.396 346 K N 0.839 121.234 120.400 -0.010 0.000 2.283 346 K HA -0.111 4.209 4.320 -0.001 0.000 0.202 346 K C 1.880 178.475 176.600 -0.007 0.000 1.048 346 K CA 1.101 57.383 56.287 -0.010 0.000 0.948 346 K CB 0.142 32.639 32.500 -0.006 0.000 0.742 346 K HN 0.351 nan 8.250 nan 0.000 0.458 347 S N 0.228 115.927 115.700 -0.003 0.000 2.481 347 S HA -0.033 4.436 4.470 -0.001 0.000 0.231 347 S C 1.603 176.202 174.600 -0.002 0.000 0.996 347 S CA 0.688 58.890 58.200 0.005 0.000 0.942 347 S CB -0.103 63.103 63.200 0.010 0.000 0.768 347 S HN 0.222 nan 8.310 nan 0.000 0.520 348 L N 0.051 121.262 121.223 -0.020 0.000 2.638 348 L HA 0.414 4.754 4.340 -0.001 0.000 0.232 348 L C 2.783 179.604 176.870 -0.082 0.000 1.099 348 L CA 0.469 55.282 54.840 -0.046 0.000 0.883 348 L CB -0.503 41.531 42.059 -0.041 0.000 1.136 348 L HN 0.355 nan 8.230 nan 0.000 0.492 349 A N 1.222 124.004 122.820 -0.062 0.000 1.849 349 A HA -0.263 4.056 4.320 -0.001 0.000 0.217 349 A C 2.365 179.882 177.584 -0.111 0.000 1.202 349 A CA 1.944 53.938 52.037 -0.071 0.000 0.629 349 A CB -0.503 18.472 19.000 -0.043 0.000 0.834 349 A HN 0.309 nan 8.150 nan 0.000 0.447 350 R N -0.796 119.639 120.500 -0.109 0.000 2.083 350 R HA -0.108 4.232 4.340 -0.001 0.000 0.237 350 R C 2.541 178.592 176.300 -0.415 0.000 1.137 350 R CA 1.303 57.310 56.100 -0.155 0.000 0.951 350 R CB -0.540 29.735 30.300 -0.042 0.000 0.851 350 R HN 0.552 nan 8.270 nan 0.000 0.434 351 A N 0.618 123.109 122.820 -0.549 0.000 1.865 351 A HA -0.214 4.105 4.320 -0.001 0.000 0.217 351 A C 2.434 179.683 177.584 -0.558 0.000 1.191 351 A CA 1.668 53.127 52.037 -0.963 0.000 0.623 351 A CB -0.963 17.756 19.000 -0.468 0.000 0.826 351 A HN 0.481 nan 8.150 nan 0.000 0.444 352 c N -1.154 117.264 118.600 -0.304 0.000 2.446 352 c HA 0.096 4.666 4.570 -0.001 0.000 0.277 352 c C 3.341 177.338 174.090 -0.154 0.000 1.275 352 c CA 0.679 56.893 56.329 -0.191 0.000 1.727 352 c CB -1.367 41.066 42.510 -0.130 0.000 2.010 352 c HN 0.703 nan 8.230 nan 0.000 0.486 353 A N 0.632 123.360 122.820 -0.153 0.000 1.877 353 A HA 0.022 4.341 4.320 -0.001 0.000 0.216 353 A C 2.374 179.903 177.584 -0.091 0.000 1.186 353 A CA 2.170 54.147 52.037 -0.100 0.000 0.620 353 A CB -0.956 17.995 19.000 -0.081 0.000 0.822 353 A HN 0.574 nan 8.150 nan 0.000 0.443 354 A N -0.395 122.324 122.820 -0.169 0.000 1.902 354 A HA -0.037 4.283 4.320 -0.001 0.000 0.217 354 A C 2.168 179.736 177.584 -0.026 0.000 1.181 354 A CA 1.537 53.510 52.037 -0.107 0.000 0.623 354 A CB -0.590 18.288 19.000 -0.203 0.000 0.818 354 A HN 0.473 nan 8.150 nan 0.000 0.443 355 L N -0.947 120.229 121.223 -0.079 0.000 2.093 355 L HA -0.132 4.208 4.340 -0.001 0.000 0.208 355 L C 3.029 179.962 176.870 0.104 0.000 1.085 355 L CA 0.893 55.764 54.840 0.052 0.000 0.755 355 L CB -0.437 41.609 42.059 -0.020 0.000 0.904 355 L HN 0.427 nan 8.230 nan 0.000 0.435 356 A N -0.468 122.365 122.820 0.021 0.000 1.930 356 A HA -0.207 4.113 4.320 -0.001 0.000 0.217 356 A C 2.165 179.772 177.584 0.038 0.000 1.175 356 A CA 1.309 53.354 52.037 0.014 0.000 0.627 356 A CB -0.309 18.680 19.000 -0.018 0.000 0.815 356 A HN 0.460 nan 8.150 nan 0.000 0.443 357 Q N -2.293 117.544 119.800 0.062 0.000 2.432 357 Q HA -0.027 4.313 4.340 -0.001 0.000 0.205 357 Q C 0.234 176.318 176.000 0.140 0.000 0.945 357 Q CA -0.180 55.667 55.803 0.073 0.000 0.924 357 Q CB 0.060 28.834 28.738 0.060 0.000 1.016 357 Q HN 0.743 nan 8.270 nan 0.000 0.503 358 W N 3.270 124.544 121.300 -0.043 0.000 2.210 358 W HA -0.016 4.644 4.660 -0.000 0.000 0.330 358 W C 0.349 176.826 176.519 -0.070 0.000 1.334 358 W CA -0.489 56.828 57.345 -0.047 0.000 1.227 358 W CB 0.628 30.055 29.460 -0.056 0.000 1.178 358 W HN 0.150 nan 8.180 nan 0.000 0.560 359 D N 4.055 124.309 120.400 -0.244 0.000 2.336 359 D HA -0.085 4.554 4.640 -0.001 0.000 0.229 359 D C 0.685 176.506 176.300 -0.799 0.000 1.061 359 D CA 0.093 53.857 54.000 -0.393 0.000 0.875 359 D CB -0.292 40.402 40.800 -0.177 0.000 0.904 359 D HN 0.675 nan 8.370 nan 0.000 0.525 360 R N -1.658 117.728 120.500 -1.856 0.000 3.875 360 R HA -0.102 4.238 4.340 -0.001 0.000 0.321 360 R C 0.564 176.094 176.300 -1.283 0.000 1.196 360 R CA 0.760 55.559 56.100 -2.168 0.000 0.868 360 R CB -1.899 27.764 30.300 -1.061 0.000 1.333 360 R HN 0.440 nan 8.270 nan 0.000 0.522 361 G N -1.494 106.792 108.800 -0.857 0.000 2.600 361 G HA2 0.703 4.662 3.960 -0.001 0.000 0.303 361 G HA3 0.703 4.662 3.960 -0.001 0.000 0.303 361 G C -0.318 174.347 174.900 -0.392 0.000 1.253 361 G CA -0.040 44.812 45.100 -0.413 0.000 0.974 361 G HN 0.179 nan 8.290 nan 0.000 0.483 362 A N 0.719 123.265 122.820 -0.456 0.000 2.827 362 A HA 0.379 4.699 4.320 -0.001 0.000 0.300 362 A C 0.591 178.232 177.584 0.093 0.000 1.237 362 A CA -0.627 51.122 52.037 -0.479 0.000 0.964 362 A CB -0.540 18.160 19.000 -0.500 0.000 1.143 362 A HN 0.497 nan 8.150 nan 0.000 0.554 363 N N 0.076 118.833 118.700 0.094 0.000 2.399 363 N HA 0.168 4.907 4.740 -0.001 0.000 0.250 363 N C 1.240 176.926 175.510 0.293 0.000 1.272 363 N CA -0.285 52.861 53.050 0.159 0.000 0.928 363 N CB 0.695 39.226 38.487 0.073 0.000 1.158 363 N HN 0.287 nan 8.380 nan 0.000 0.463 364 L N 0.221 121.567 121.223 0.204 0.000 2.079 364 L HA -0.182 4.157 4.340 -0.001 0.000 0.210 364 L C 0.926 177.909 176.870 0.190 0.000 1.081 364 L CA 1.393 56.343 54.840 0.183 0.000 0.752 364 L CB -0.234 41.883 42.059 0.096 0.000 0.896 364 L HN 0.423 nan 8.230 nan 0.000 0.433 365 D N -0.640 119.853 120.400 0.154 0.000 2.339 365 D HA 0.043 4.683 4.640 -0.001 0.000 0.217 365 D C 0.656 177.060 176.300 0.175 0.000 1.050 365 D CA 0.177 54.260 54.000 0.138 0.000 0.856 365 D CB 0.286 41.138 40.800 0.087 0.000 0.922 365 D HN 0.054 nan 8.370 nan 0.000 0.518 366 S N 0.425 116.265 115.700 0.234 0.000 2.549 366 S HA 0.343 4.812 4.470 -0.001 0.000 0.286 366 S C 0.898 175.689 174.600 0.318 0.000 1.314 366 S CA -0.367 58.006 58.200 0.289 0.000 1.062 366 S CB 1.216 64.601 63.200 0.309 0.000 0.865 366 S HN 0.243 nan 8.310 nan 0.000 0.498 367 G N 1.342 110.332 108.800 0.315 0.000 2.616 367 G HA2 0.263 4.223 3.960 -0.001 0.000 0.268 367 G HA3 0.263 4.223 3.960 -0.001 0.000 0.268 367 G C 1.085 176.067 174.900 0.137 0.000 1.213 367 G CA -0.146 45.086 45.100 0.219 0.000 0.926 367 G HN 0.807 nan 8.290 nan 0.000 0.523 368 S N -0.821 114.948 115.700 0.115 0.000 2.493 368 S HA -0.071 4.398 4.470 -0.001 0.000 0.243 368 S C 2.343 176.954 174.600 0.018 0.000 0.991 368 S CA 1.282 59.531 58.200 0.081 0.000 0.957 368 S CB -0.530 62.752 63.200 0.137 0.000 0.756 368 S HN 0.973 nan 8.310 nan 0.000 0.521 369 G N 1.183 109.925 108.800 -0.097 0.000 2.503 369 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.221 369 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.221 369 G C 1.061 175.357 174.900 -1.006 0.000 1.131 369 G CA 0.980 45.863 45.100 -0.363 0.000 0.756 369 G HN 0.545 nan 8.290 nan 0.000 0.572 370 F N 1.521 120.513 119.950 -1.596 0.000 2.126 370 F HA -0.083 4.443 4.527 -0.000 0.000 0.299 370 F C 2.678 178.021 175.800 -0.762 0.000 1.096 370 F CA 1.021 58.166 58.000 -1.425 0.000 1.255 370 F CB -0.620 37.857 39.000 -0.873 0.000 0.997 370 F HN 0.038 nan 8.300 nan 0.000 0.479 371 V N -0.635 118.942 119.914 -0.563 0.000 2.295 371 V HA -0.326 3.794 4.120 -0.001 0.000 0.246 371 V C 2.213 178.052 176.094 -0.426 0.000 1.049 371 V CA 2.040 64.034 62.300 -0.509 0.000 1.024 371 V CB -1.130 30.508 31.823 -0.308 0.000 0.648 371 V HN 0.308 nan 8.190 nan 0.000 0.447 372 Y N -0.925 119.197 120.300 -0.296 0.000 2.181 372 Y HA -0.237 4.312 4.550 -0.000 0.000 0.288 372 Y C 2.269 178.063 175.900 -0.177 0.000 1.146 372 Y CA 2.168 60.150 58.100 -0.196 0.000 1.164 372 Y CB -0.632 37.734 38.460 -0.156 0.000 0.982 372 Y HN 0.258 nan 8.280 nan 0.000 0.515 373 F N 0.922 120.710 119.950 -0.270 0.000 2.134 373 F HA -0.266 4.261 4.527 -0.000 0.000 0.299 373 F C 2.221 177.869 175.800 -0.254 0.000 1.097 373 F CA 1.707 59.562 58.000 -0.241 0.000 1.264 373 F CB -0.548 38.209 39.000 -0.405 0.000 1.001 373 F HN 0.053 nan 8.300 nan 0.000 0.479 374 Q N -0.131 119.331 119.800 -0.564 0.000 2.030 374 Q HA -0.215 4.124 4.340 -0.001 0.000 0.204 374 Q C 2.264 178.041 176.000 -0.372 0.000 0.986 374 Q CA 1.756 57.066 55.803 -0.822 0.000 0.843 374 Q CB -0.265 27.909 28.738 -0.940 0.000 0.904 374 Q HN 0.289 nan 8.270 nan 0.000 0.420 375 R N -0.146 120.203 120.500 -0.252 0.000 2.115 375 R HA -0.097 4.242 4.340 -0.001 0.000 0.230 375 R C 2.015 178.269 176.300 -0.075 0.000 1.111 375 R CA 0.864 56.886 56.100 -0.130 0.000 0.976 375 R CB -0.683 29.543 30.300 -0.123 0.000 0.870 375 R HN 0.313 nan 8.270 nan 0.000 0.445 376 F N 1.223 121.054 119.950 -0.199 0.000 2.113 376 F HA -0.114 4.413 4.527 -0.001 0.000 0.297 376 F C 2.135 177.833 175.800 -0.170 0.000 1.103 376 F CA 1.238 59.137 58.000 -0.168 0.000 1.248 376 F CB -0.075 38.810 39.000 -0.191 0.000 0.999 376 F HN -0.191 nan 8.300 nan 0.000 0.475 377 M N 0.321 119.742 119.600 -0.297 0.000 2.159 377 M HA -0.209 4.270 4.480 -0.001 0.000 0.263 377 M C 2.142 178.387 176.300 -0.092 0.000 1.063 377 M CA 1.515 56.675 55.300 -0.234 0.000 1.110 377 M CB -1.399 31.099 32.600 -0.170 0.000 1.374 377 M HN 0.322 nan 8.290 nan 0.000 0.411 378 Q N -0.447 119.321 119.800 -0.053 0.000 2.135 378 Q HA -0.162 4.178 4.340 -0.001 0.000 0.204 378 Q C 2.135 178.059 176.000 -0.127 0.000 0.981 378 Q CA 1.506 57.283 55.803 -0.043 0.000 0.856 378 Q CB -0.046 28.682 28.738 -0.017 0.000 0.902 378 Q HN 0.502 nan 8.270 nan 0.000 0.425 379 R N -1.058 119.319 120.500 -0.205 0.000 2.100 379 R HA -0.020 4.320 4.340 -0.001 0.000 0.220 379 R C 1.943 178.064 176.300 -0.299 0.000 1.091 379 R CA 0.686 56.648 56.100 -0.231 0.000 0.986 379 R CB -0.209 29.958 30.300 -0.220 0.000 0.888 379 R HN 0.166 nan 8.270 nan 0.000 0.444 380 F N 2.030 121.590 119.950 -0.649 0.000 2.126 380 F HA -0.146 4.381 4.527 -0.001 0.000 0.299 380 F C 2.176 177.740 175.800 -0.392 0.000 1.096 380 F CA 1.320 58.929 58.000 -0.651 0.000 1.255 380 F CB -0.342 38.134 39.000 -0.874 0.000 0.997 380 F HN -0.007 nan 8.300 nan 0.000 0.479 381 A N -0.449 122.219 122.820 -0.254 0.000 2.131 381 A HA -0.199 4.120 4.320 -0.001 0.000 0.220 381 A C 1.964 179.404 177.584 -0.240 0.000 1.158 381 A CA 1.923 53.831 52.037 -0.215 0.000 0.665 381 A CB -0.731 18.218 19.000 -0.086 0.000 0.795 381 A HN 0.619 nan 8.150 nan 0.000 0.460 382 E N -0.939 119.109 120.200 -0.253 0.000 2.476 382 E HA 0.228 4.577 4.350 -0.001 0.000 0.199 382 E C -0.359 176.109 176.600 -0.221 0.000 1.021 382 E CA -0.395 55.888 56.400 -0.196 0.000 0.907 382 E CB 0.167 29.777 29.700 -0.149 0.000 0.974 382 E HN 0.555 nan 8.360 nan 0.000 0.489 383 L N 1.531 122.555 121.223 -0.332 0.000 2.395 383 L HA 0.202 4.542 4.340 -0.001 0.000 0.269 383 L C 0.118 176.814 176.870 -0.290 0.000 1.133 383 L CA -0.443 54.212 54.840 -0.309 0.000 0.812 383 L CB 0.493 42.325 42.059 -0.378 0.000 1.125 383 L HN -0.088 nan 8.230 nan 0.000 0.452 384 D N 1.222 121.514 120.400 -0.180 0.000 2.249 384 D HA 0.378 5.018 4.640 -0.001 0.000 0.246 384 D C 0.805 177.044 176.300 -0.102 0.000 1.114 384 D CA 0.441 54.370 54.000 -0.119 0.000 0.854 384 D CB 1.173 41.934 40.800 -0.066 0.000 1.132 384 D HN 0.716 nan 8.370 nan 0.000 0.461 385 G N 3.064 111.827 108.800 -0.062 0.000 2.356 385 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.296 385 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.296 385 G C 0.799 175.691 174.900 -0.014 0.000 1.022 385 G CA 0.548 45.652 45.100 0.007 0.000 0.961 385 G HN 0.723 nan 8.290 nan 0.000 0.510 386 A N -1.188 121.539 122.820 -0.156 0.000 2.238 386 A HA 0.435 4.755 4.320 -0.001 0.000 0.210 386 A C 0.925 178.530 177.584 0.035 0.000 1.179 386 A CA -0.025 51.930 52.037 -0.136 0.000 0.827 386 A CB 0.015 18.799 19.000 -0.360 0.000 0.856 386 A HN 0.586 nan 8.150 nan 0.000 0.488 387 W N 0.840 122.209 121.300 0.115 0.000 2.253 387 W HA 0.265 4.925 4.660 -0.000 0.000 0.322 387 W C 1.445 178.053 176.519 0.148 0.000 1.342 387 W CA -0.374 57.087 57.345 0.193 0.000 1.218 387 W CB 0.854 30.409 29.460 0.160 0.000 1.205 387 W HN 0.203 nan 8.180 nan 0.000 0.551 388 K N 1.717 122.383 120.400 0.444 0.000 2.002 388 K HA -0.148 4.171 4.320 -0.001 0.000 0.209 388 K C -0.140 176.592 176.600 0.219 0.000 1.048 388 K CA 1.315 57.762 56.287 0.267 0.000 0.930 388 K CB 0.092 32.722 32.500 0.217 0.000 0.714 388 K HN 0.455 nan 8.250 nan 0.000 0.438 389 E N 1.487 121.819 120.200 0.220 0.000 2.114 389 E HA 0.242 4.591 4.350 -0.001 0.000 0.266 389 E C -2.484 174.174 176.600 0.097 0.000 0.896 389 E CA -2.619 53.853 56.400 0.120 0.000 0.750 389 E CB 1.893 31.625 29.700 0.054 0.000 1.121 389 E HN 0.166 nan 8.360 nan 0.000 0.413 390 P HA -0.024 nan 4.420 nan 0.000 0.273 390 P C -0.500 176.805 177.300 0.008 0.000 1.250 390 P CA -0.503 62.652 63.100 0.093 0.000 0.793 390 P CB 0.429 32.219 31.700 0.151 0.000 1.011 391 F N 1.386 121.277 119.950 -0.099 0.000 2.602 391 F HA 0.083 4.610 4.527 -0.000 0.000 0.385 391 F C 0.304 176.109 175.800 0.008 0.000 1.063 391 F CA 0.478 58.442 58.000 -0.060 0.000 1.233 391 F CB -0.182 38.806 39.000 -0.019 0.000 1.067 391 F HN 0.113 nan 8.300 nan 0.000 0.564 392 D N 5.140 125.017 120.400 -0.871 0.000 2.481 392 D HA 0.378 5.017 4.640 -0.001 0.000 0.246 392 D C 0.533 176.241 176.300 -0.986 0.000 1.109 392 D CA -0.079 53.524 54.000 -0.661 0.000 0.845 392 D CB 1.791 42.406 40.800 -0.308 0.000 1.160 392 D HN 0.681 nan 8.370 nan 0.000 0.534 393 A N 3.633 126.051 122.820 -0.671 0.000 2.070 393 A HA -0.182 4.138 4.320 -0.001 0.000 0.220 393 A C 1.700 179.269 177.584 -0.026 0.000 1.159 393 A CA 1.388 53.305 52.037 -0.200 0.000 0.656 393 A CB -0.189 18.890 19.000 0.132 0.000 0.800 393 A HN 0.649 nan 8.150 nan 0.000 0.453 394 Q N -1.228 118.515 119.800 -0.095 0.000 2.425 394 Q HA 0.143 4.482 4.340 -0.001 0.000 0.204 394 Q C 0.353 176.311 176.000 -0.069 0.000 0.933 394 Q CA 0.413 56.193 55.803 -0.038 0.000 0.939 394 Q CB 0.327 29.048 28.738 -0.028 0.000 1.044 394 Q HN 0.536 nan 8.270 nan 0.000 0.513 395 R N 0.234 120.647 120.500 -0.145 0.000 2.782 395 R HA 0.159 4.498 4.340 -0.001 0.000 0.293 395 R C -2.161 174.055 176.300 -0.141 0.000 1.333 395 R CA -1.001 55.026 56.100 -0.120 0.000 1.479 395 R CB 0.852 31.088 30.300 -0.106 0.000 1.306 395 R HN 0.037 nan 8.270 nan 0.000 0.654 396 P HA -0.077 nan 4.420 nan 0.000 0.237 396 P C 0.613 177.980 177.300 0.111 0.000 1.178 396 P CA 0.677 63.822 63.100 0.075 0.000 0.766 396 P CB 0.444 32.174 31.700 0.050 0.000 0.876 397 L N -0.443 120.793 121.223 0.021 0.000 2.556 397 L HA 0.188 4.528 4.340 -0.001 0.000 0.226 397 L C 1.488 178.403 176.870 0.076 0.000 1.089 397 L CA 1.439 56.303 54.840 0.039 0.000 0.864 397 L CB -0.559 41.495 42.059 -0.008 0.000 1.067 397 L HN -0.129 nan 8.230 nan 0.000 0.477 398 D N -1.317 119.108 120.400 0.042 0.000 2.500 398 D HA 0.144 4.783 4.640 -0.001 0.000 0.217 398 D C 0.433 176.736 176.300 0.005 0.000 1.159 398 D CA 0.416 54.438 54.000 0.037 0.000 0.828 398 D CB 1.320 42.128 40.800 0.012 0.000 1.039 398 D HN 0.282 nan 8.370 nan 0.000 0.512 399 T N -1.001 113.550 114.554 -0.005 0.000 2.906 399 T HA 0.538 4.888 4.350 -0.001 0.000 0.295 399 T C -2.999 171.704 174.700 0.005 0.000 1.061 399 T CA -1.865 60.199 62.100 -0.061 0.000 1.000 399 T CB 3.003 71.800 68.868 -0.119 0.000 1.103 399 T HN -0.292 nan 8.240 nan 0.000 0.486 400 P HA 0.446 nan 4.420 nan 0.000 0.276 400 P C -1.114 175.850 177.300 -0.559 0.000 1.244 400 P CA -0.344 62.376 63.100 -0.633 0.000 0.801 400 P CB 0.828 31.534 31.700 -1.658 0.000 1.006 401 Q N 0.227 119.873 119.800 -0.257 0.000 2.295 401 Q HA 0.546 4.886 4.340 -0.001 0.000 0.268 401 Q C -0.723 175.468 176.000 0.317 0.000 1.010 401 Q CA 0.189 56.021 55.803 0.049 0.000 0.856 401 Q CB 1.360 30.115 28.738 0.029 0.000 1.349 401 Q HN 0.928 nan 8.270 nan 0.000 0.412 402 G N 2.247 111.300 108.800 0.423 0.000 2.787 402 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.685 402 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.685 402 G C -0.906 174.261 174.900 0.445 0.000 1.437 402 G CA -0.367 44.941 45.100 0.348 0.000 0.872 402 G HN 0.716 nan 8.290 nan 0.000 0.566 403 I N 0.957 121.686 120.570 0.266 0.000 2.359 403 I HA 0.529 4.699 4.170 -0.001 0.000 0.294 403 I C 1.180 177.418 176.117 0.201 0.000 0.987 403 I CA -0.383 61.066 61.300 0.250 0.000 1.225 403 I CB 1.916 40.008 38.000 0.153 0.000 1.366 403 I HN 0.919 nan 8.210 nan 0.000 0.466 404 A N 7.129 130.071 122.820 0.203 0.000 3.029 404 A HA 0.236 4.556 4.320 -0.001 0.000 0.251 404 A C 1.366 179.015 177.584 0.109 0.000 1.749 404 A CA -0.060 52.066 52.037 0.148 0.000 1.386 404 A CB -0.815 18.270 19.000 0.141 0.000 1.043 404 A HN 0.852 nan 8.150 nan 0.000 0.638 405 L N -0.141 121.142 121.223 0.100 0.000 2.265 405 L HA -0.183 4.157 4.340 -0.001 0.000 0.215 405 L C 2.052 178.958 176.870 0.059 0.000 1.117 405 L CA 1.292 56.177 54.840 0.075 0.000 0.782 405 L CB -0.364 41.732 42.059 0.061 0.000 0.914 405 L HN 0.686 nan 8.230 nan 0.000 0.441 406 D N -0.244 120.191 120.400 0.059 0.000 2.312 406 D HA -0.148 4.492 4.640 -0.001 0.000 0.211 406 D C 0.903 177.229 176.300 0.045 0.000 0.964 406 D CA 0.489 54.517 54.000 0.047 0.000 0.877 406 D CB -0.146 40.681 40.800 0.046 0.000 0.924 406 D HN 0.208 nan 8.370 nan 0.000 0.515 407 R N 0.986 121.517 120.500 0.051 0.000 2.210 407 R HA 0.200 4.540 4.340 -0.001 0.000 0.338 407 R C -1.710 174.614 176.300 0.040 0.000 1.062 407 R CA -1.454 54.673 56.100 0.044 0.000 0.902 407 R CB 1.084 31.413 30.300 0.048 0.000 1.050 407 R HN 0.007 nan 8.270 nan 0.000 0.461 408 P HA -0.229 nan 4.420 nan 0.000 0.216 408 P C 1.069 178.386 177.300 0.027 0.000 1.150 408 P CA 1.180 64.296 63.100 0.028 0.000 0.843 408 P CB 0.257 31.970 31.700 0.022 0.000 0.787 409 Q N -0.559 119.256 119.800 0.024 0.000 2.167 409 Q HA -0.098 4.242 4.340 -0.001 0.000 0.202 409 Q C 1.790 177.804 176.000 0.022 0.000 0.970 409 Q CA 1.085 56.899 55.803 0.019 0.000 0.855 409 Q CB -0.242 28.504 28.738 0.013 0.000 0.911 409 Q HN 0.051 nan 8.270 nan 0.000 0.438 410 V N 0.381 120.314 119.914 0.032 0.000 2.346 410 V HA -0.183 3.937 4.120 -0.001 0.000 0.244 410 V C 2.294 178.426 176.094 0.065 0.000 1.037 410 V CA 1.566 63.893 62.300 0.045 0.000 1.029 410 V CB -0.946 30.913 31.823 0.060 0.000 0.663 410 V HN 0.478 nan 8.190 nan 0.000 0.454 411 A N 0.047 122.903 122.820 0.061 0.000 1.917 411 A HA -0.269 4.051 4.320 -0.001 0.000 0.219 411 A C 2.389 180.007 177.584 0.056 0.000 1.182 411 A CA 2.744 54.817 52.037 0.061 0.000 0.633 411 A CB -1.073 17.955 19.000 0.046 0.000 0.819 411 A HN 0.514 nan 8.150 nan 0.000 0.448 412 T N -0.006 114.573 114.554 0.042 0.000 2.674 412 T HA -0.196 4.153 4.350 -0.001 0.000 0.265 412 T C 2.086 176.811 174.700 0.040 0.000 1.039 412 T CA 1.807 63.928 62.100 0.034 0.000 1.150 412 T CB -0.306 68.576 68.868 0.023 0.000 0.864 412 T HN 0.643 nan 8.240 nan 0.000 0.427 413 Q N 0.130 119.952 119.800 0.037 0.000 2.119 413 Q HA -0.041 4.299 4.340 -0.001 0.000 0.201 413 Q C 2.570 178.611 176.000 0.068 0.000 0.972 413 Q CA 0.973 56.794 55.803 0.029 0.000 0.847 413 Q CB -0.285 28.453 28.738 -0.001 0.000 0.903 413 Q HN 0.337 nan 8.270 nan 0.000 0.433 414 V N 0.801 120.787 119.914 0.120 0.000 2.358 414 V HA -0.258 3.862 4.120 -0.001 0.000 0.246 414 V C 2.307 178.540 176.094 0.233 0.000 1.047 414 V CA 1.937 64.379 62.300 0.237 0.000 1.035 414 V CB -0.527 31.460 31.823 0.274 0.000 0.658 414 V HN 0.303 nan 8.190 nan 0.000 0.452 415 R N -0.078 120.500 120.500 0.130 0.000 2.081 415 R HA -0.243 4.097 4.340 -0.001 0.000 0.235 415 R C 2.396 178.751 176.300 0.091 0.000 1.131 415 R CA 1.984 58.139 56.100 0.092 0.000 0.960 415 R CB -0.259 30.071 30.300 0.051 0.000 0.856 415 R HN 0.466 nan 8.270 nan 0.000 0.436 416 Q N 0.343 120.187 119.800 0.074 0.000 2.084 416 Q HA -0.087 4.252 4.340 -0.001 0.000 0.202 416 Q C 1.860 177.898 176.000 0.065 0.000 0.978 416 Q CA 2.257 58.092 55.803 0.053 0.000 0.844 416 Q CB -0.369 28.386 28.738 0.029 0.000 0.898 416 Q HN 0.454 nan 8.270 nan 0.000 0.426 417 A N 0.002 122.871 122.820 0.081 0.000 1.908 417 A HA -0.163 4.157 4.320 -0.001 0.000 0.218 417 A C 2.009 179.703 177.584 0.184 0.000 1.181 417 A CA 1.565 53.639 52.037 0.063 0.000 0.627 417 A CB -0.864 18.110 19.000 -0.045 0.000 0.818 417 A HN 0.467 nan 8.150 nan 0.000 0.445 418 L N -0.352 121.059 121.223 0.313 0.000 2.056 418 L HA -0.022 4.318 4.340 -0.001 0.000 0.207 418 L C 2.690 179.646 176.870 0.145 0.000 1.078 418 L CA 2.067 57.077 54.840 0.283 0.000 0.749 418 L CB -0.824 41.314 42.059 0.133 0.000 0.901 418 L HN 0.348 nan 8.230 nan 0.000 0.433 419 A N -0.687 122.192 122.820 0.098 0.000 1.883 419 A HA -0.227 4.093 4.320 -0.001 0.000 0.217 419 A C 1.985 179.606 177.584 0.062 0.000 1.186 419 A CA 1.990 54.066 52.037 0.064 0.000 0.624 419 A CB -0.840 18.186 19.000 0.043 0.000 0.822 419 A HN 0.525 nan 8.150 nan 0.000 0.444 420 D N -0.009 120.425 120.400 0.056 0.000 2.117 420 D HA -0.002 4.638 4.640 -0.001 0.000 0.198 420 D C 2.223 178.544 176.300 0.035 0.000 0.982 420 D CA 1.457 55.476 54.000 0.032 0.000 0.828 420 D CB -0.494 40.312 40.800 0.010 0.000 0.967 420 D HN 0.424 nan 8.370 nan 0.000 0.464 421 A N 1.138 123.998 122.820 0.065 0.000 1.902 421 A HA -0.040 4.280 4.320 -0.001 0.000 0.217 421 A C 2.320 179.952 177.584 0.080 0.000 1.181 421 A CA 2.204 54.279 52.037 0.063 0.000 0.623 421 A CB -0.754 18.323 19.000 0.129 0.000 0.818 421 A HN 0.230 nan 8.150 nan 0.000 0.443 422 A N -0.049 122.870 122.820 0.165 0.000 1.877 422 A HA 0.130 4.450 4.320 -0.001 0.000 0.216 422 A C 2.534 180.194 177.584 0.128 0.000 1.186 422 A CA 2.242 54.435 52.037 0.261 0.000 0.620 422 A CB -1.127 18.002 19.000 0.214 0.000 0.822 422 A HN 1.110 nan 8.150 nan 0.000 0.443 423 A N -0.467 122.394 122.820 0.068 0.000 1.908 423 A HA -0.235 4.084 4.320 -0.001 0.000 0.218 423 A C 2.062 179.644 177.584 -0.005 0.000 1.181 423 A CA 1.944 53.999 52.037 0.029 0.000 0.627 423 A CB -0.593 18.418 19.000 0.019 0.000 0.818 423 A HN 0.686 nan 8.150 nan 0.000 0.445 424 E N -0.301 119.886 120.200 -0.022 0.000 2.051 424 E HA -0.136 4.214 4.350 -0.001 0.000 0.192 424 E C 1.924 178.465 176.600 -0.099 0.000 0.991 424 E CA 1.480 57.847 56.400 -0.055 0.000 0.799 424 E CB -0.120 29.544 29.700 -0.059 0.000 0.748 424 E HN 0.340 nan 8.360 nan 0.000 0.449 425 V N 1.072 120.891 119.914 -0.160 0.000 2.343 425 V HA -0.239 3.880 4.120 -0.001 0.000 0.247 425 V C 1.951 177.933 176.094 -0.187 0.000 1.051 425 V CA 2.174 64.301 62.300 -0.289 0.000 1.036 425 V CB -0.441 30.953 31.823 -0.715 0.000 0.654 425 V HN 0.259 nan 8.190 nan 0.000 0.451 426 E N -0.424 119.723 120.200 -0.088 0.000 2.216 426 E HA -0.155 4.195 4.350 -0.001 0.000 0.192 426 E C 2.225 178.807 176.600 -0.031 0.000 0.988 426 E CA 0.604 56.988 56.400 -0.026 0.000 0.834 426 E CB -0.080 29.643 29.700 0.038 0.000 0.772 426 E HN 0.482 nan 8.360 nan 0.000 0.479 427 K N 1.210 121.587 120.400 -0.038 0.000 2.148 427 K HA -0.059 4.260 4.320 -0.001 0.000 0.204 427 K C 0.988 177.561 176.600 -0.046 0.000 1.050 427 K CA 0.745 57.011 56.287 -0.035 0.000 0.942 427 K CB 0.036 32.517 32.500 -0.033 0.000 0.724 427 K HN 0.109 nan 8.250 nan 0.000 0.446 428 S N -0.961 114.700 115.700 -0.065 0.000 2.606 428 S HA 0.100 4.569 4.470 -0.001 0.000 0.257 428 S C 0.792 175.353 174.600 -0.065 0.000 1.327 428 S CA -0.270 57.888 58.200 -0.071 0.000 0.984 428 S CB 1.310 64.454 63.200 -0.093 0.000 0.941 428 S HN 0.239 nan 8.310 nan 0.000 0.576 429 G N 0.358 109.118 108.800 -0.068 0.000 3.882 429 G HA2 0.467 4.427 3.960 -0.001 0.000 0.283 429 G HA3 0.467 4.427 3.960 -0.001 0.000 0.283 429 G C -0.256 174.601 174.900 -0.072 0.000 1.283 429 G CA -0.574 44.489 45.100 -0.063 0.000 1.402 429 G HN 0.666 nan 8.290 nan 0.000 0.618 430 I N 2.264 122.792 120.570 -0.069 0.000 2.355 430 I HA 0.268 4.437 4.170 -0.001 0.000 0.288 430 I C -1.819 174.278 176.117 -0.034 0.000 0.999 430 I CA -2.155 59.108 61.300 -0.063 0.000 1.163 430 I CB 2.028 39.982 38.000 -0.078 0.000 1.316 430 I HN 0.066 nan 8.210 nan 0.000 0.454 431 P HA 0.059 nan 4.420 nan 0.000 0.269 431 P C -0.013 177.301 177.300 0.023 0.000 1.209 431 P CA -0.128 62.974 63.100 0.004 0.000 0.776 431 P CB 1.260 32.963 31.700 0.005 0.000 0.876 432 D N 1.591 122.017 120.400 0.043 0.000 2.312 432 D HA -0.050 4.590 4.640 -0.001 0.000 0.211 432 D C 2.023 178.365 176.300 0.071 0.000 0.964 432 D CA 1.183 55.227 54.000 0.075 0.000 0.877 432 D CB -0.374 40.479 40.800 0.089 0.000 0.924 432 D HN 0.602 nan 8.370 nan 0.000 0.515 433 G N 0.041 108.872 108.800 0.053 0.000 2.534 433 G HA2 0.084 4.044 3.960 -0.001 0.000 0.217 433 G HA3 0.084 4.044 3.960 -0.001 0.000 0.217 433 G C 0.738 175.674 174.900 0.061 0.000 1.128 433 G CA 0.504 45.636 45.100 0.053 0.000 0.784 433 G HN 0.395 nan 8.290 nan 0.000 0.542 434 A N 0.318 123.172 122.820 0.056 0.000 2.498 434 A HA 0.583 4.903 4.320 -0.001 0.000 0.239 434 A C 0.551 178.194 177.584 0.099 0.000 1.068 434 A CA -0.028 52.046 52.037 0.061 0.000 0.766 434 A CB 0.306 19.328 19.000 0.035 0.000 1.003 434 A HN 0.426 nan 8.150 nan 0.000 0.497 435 R N 0.641 121.211 120.500 0.118 0.000 2.782 435 R HA 0.229 4.569 4.340 -0.001 0.000 0.258 435 R C 1.032 177.481 176.300 0.247 0.000 1.055 435 R CA -0.778 55.433 56.100 0.184 0.000 1.065 435 R CB 0.799 31.198 30.300 0.165 0.000 1.172 435 R HN 0.996 nan 8.270 nan 0.000 0.510 436 W N 1.545 122.915 121.300 0.117 0.000 2.318 436 W HA -0.169 4.491 4.660 -0.000 0.000 0.313 436 W C 1.249 177.843 176.519 0.124 0.000 1.221 436 W CA 1.976 59.409 57.345 0.146 0.000 1.266 436 W CB -0.088 29.526 29.460 0.256 0.000 1.150 436 W HN 0.828 nan 8.180 nan 0.000 0.496 437 G N 0.133 108.977 108.800 0.073 0.000 2.498 437 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.219 437 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.219 437 G C 1.028 175.900 174.900 -0.047 0.000 1.119 437 G CA 1.061 46.130 45.100 -0.051 0.000 0.766 437 G HN 0.236 nan 8.290 nan 0.000 0.552 438 D N 0.121 120.524 120.400 0.005 0.000 2.269 438 D HA 0.011 4.651 4.640 -0.001 0.000 0.208 438 D C 2.382 178.696 176.300 0.024 0.000 0.963 438 D CA 0.472 54.490 54.000 0.030 0.000 0.864 438 D CB 0.283 41.110 40.800 0.045 0.000 0.936 438 D HN 0.365 nan 8.370 nan 0.000 0.505 439 L N -0.502 120.661 121.223 -0.101 0.000 2.349 439 L HA 0.126 4.465 4.340 -0.001 0.000 0.200 439 L C 1.208 177.919 176.870 -0.264 0.000 1.064 439 L CA 0.048 54.788 54.840 -0.166 0.000 0.821 439 L CB 0.095 42.029 42.059 -0.208 0.000 1.027 439 L HN -0.176 nan 8.230 nan 0.000 0.476 440 Q N 1.910 121.360 119.800 -0.582 0.000 2.296 440 Q HA 0.460 4.800 4.340 -0.001 0.000 0.257 440 Q C -1.100 174.734 176.000 -0.277 0.000 0.942 440 Q CA -0.283 55.189 55.803 -0.551 0.000 0.939 440 Q CB 1.370 29.526 28.738 -0.970 0.000 1.198 440 Q HN 0.153 nan 8.270 nan 0.000 0.429 441 V N -0.078 119.736 119.914 -0.167 0.000 3.159 441 V HA 0.757 4.877 4.120 -0.001 0.000 0.308 441 V C -1.045 175.012 176.094 -0.061 0.000 1.190 441 V CA -0.914 61.326 62.300 -0.100 0.000 1.037 441 V CB 2.089 33.823 31.823 -0.150 0.000 1.060 441 V HN 0.595 nan 8.190 nan 0.000 0.437 442 S N 0.803 116.513 115.700 0.018 0.000 2.552 442 S HA 0.636 5.106 4.470 -0.001 0.000 0.314 442 S C -0.138 174.489 174.600 0.045 0.000 1.099 442 S CA -0.271 57.979 58.200 0.083 0.000 1.070 442 S CB 1.110 64.494 63.200 0.306 0.000 0.998 442 S HN 1.050 nan 8.310 nan 0.000 0.474 443 T N 5.795 120.366 114.554 0.028 0.000 2.884 443 T HA 0.412 4.761 4.350 -0.001 0.000 0.298 443 T C -0.290 174.437 174.700 0.045 0.000 0.998 443 T CA -0.397 61.714 62.100 0.019 0.000 1.124 443 T CB 0.228 69.107 68.868 0.019 0.000 0.931 443 T HN 0.411 nan 8.240 nan 0.000 0.531 444 R N 2.565 123.096 120.500 0.051 0.000 2.507 444 R HA 0.496 4.835 4.340 -0.001 0.000 0.298 444 R C 0.885 177.334 176.300 0.249 0.000 1.087 444 R CA -0.203 55.954 56.100 0.094 0.000 0.917 444 R CB 0.985 31.220 30.300 -0.109 0.000 1.173 444 R HN 0.984 nan 8.270 nan 0.000 0.472 445 G N 2.814 111.819 108.800 0.342 0.000 2.596 445 G HA2 -0.400 3.560 3.960 -0.001 0.000 0.304 445 G HA3 -0.400 3.560 3.960 -0.001 0.000 0.304 445 G C 0.464 175.424 174.900 0.100 0.000 1.189 445 G CA 0.362 45.569 45.100 0.178 0.000 0.986 445 G HN 0.564 nan 8.290 nan 0.000 0.548 446 Q N 1.147 120.989 119.800 0.070 0.000 2.282 446 Q HA 0.270 4.610 4.340 -0.001 0.000 0.206 446 Q C 0.730 176.746 176.000 0.026 0.000 0.878 446 Q CA 0.251 56.079 55.803 0.040 0.000 0.944 446 Q CB 0.498 29.254 28.738 0.031 0.000 1.100 446 Q HN 0.673 nan 8.270 nan 0.000 0.509 447 E N 0.261 120.482 120.200 0.035 0.000 2.243 447 E HA 0.485 4.834 4.350 -0.001 0.000 0.260 447 E C -0.633 175.958 176.600 -0.015 0.000 0.985 447 E CA -0.671 55.735 56.400 0.009 0.000 0.858 447 E CB 1.548 31.263 29.700 0.024 0.000 1.210 447 E HN -0.046 nan 8.360 nan 0.000 0.411 448 R N 0.728 121.198 120.500 -0.049 0.000 2.670 448 R HA 0.541 4.880 4.340 -0.001 0.000 0.289 448 R C -0.777 175.501 176.300 -0.037 0.000 0.965 448 R CA -0.578 55.473 56.100 -0.081 0.000 0.899 448 R CB 1.460 31.632 30.300 -0.213 0.000 1.173 448 R HN 0.388 nan 8.270 nan 0.000 0.456 449 I N 1.995 122.561 120.570 -0.007 0.000 2.406 449 I HA 0.344 4.514 4.170 -0.001 0.000 0.290 449 I C 0.165 176.305 176.117 0.038 0.000 0.999 449 I CA -0.810 60.510 61.300 0.033 0.000 1.124 449 I CB 2.007 40.053 38.000 0.076 0.000 1.289 449 I HN 0.667 nan 8.210 nan 0.000 0.441 450 A N 7.892 130.729 122.820 0.028 0.000 2.520 450 A HA 0.433 4.753 4.320 -0.001 0.000 0.245 450 A C -0.298 177.326 177.584 0.067 0.000 1.072 450 A CA 0.259 52.304 52.037 0.013 0.000 0.761 450 A CB -0.047 18.960 19.000 0.012 0.000 1.004 450 A HN 0.529 nan 8.150 nan 0.000 0.499 451 I N 5.003 125.601 120.570 0.047 0.000 2.410 451 I HA 0.339 4.509 4.170 -0.001 0.000 0.286 451 I C -2.339 173.866 176.117 0.145 0.000 1.009 451 I CA -2.323 59.079 61.300 0.170 0.000 1.111 451 I CB 1.636 39.764 38.000 0.213 0.000 1.262 451 I HN 0.449 nan 8.210 nan 0.000 0.443 452 P HA 0.503 nan 4.420 nan 0.000 0.276 452 P C -0.001 177.499 177.300 0.333 0.000 1.244 452 P CA 0.257 63.493 63.100 0.227 0.000 0.801 452 P CB 1.720 33.456 31.700 0.061 0.000 1.006 453 G N -0.677 108.372 108.800 0.415 0.000 2.497 453 G HA2 0.419 4.378 3.960 -0.001 0.000 0.686 453 G HA3 0.419 4.378 3.960 -0.001 0.000 0.686 453 G C -0.862 174.374 174.900 0.560 0.000 1.288 453 G CA -0.362 44.969 45.100 0.385 0.000 0.899 453 G HN 0.803 nan 8.290 nan 0.000 0.608 454 G N -1.014 108.040 108.800 0.425 0.000 2.649 454 G HA2 0.628 4.588 3.960 -0.001 0.000 0.290 454 G HA3 0.628 4.588 3.960 -0.001 0.000 0.290 454 G C -1.245 173.913 174.900 0.430 0.000 1.426 454 G CA 0.157 45.601 45.100 0.573 0.000 0.794 454 G HN 0.823 nan 8.290 nan 0.000 0.483 455 D N -0.221 120.489 120.400 0.517 0.000 2.455 455 D HA 0.148 4.787 4.640 -0.001 0.000 0.241 455 D C 1.702 178.109 176.300 0.178 0.000 1.138 455 D CA 0.819 54.992 54.000 0.290 0.000 0.877 455 D CB 1.401 42.336 40.800 0.224 0.000 1.187 455 D HN 0.422 nan 8.370 nan 0.000 0.451 456 G N 3.361 112.164 108.800 0.004 0.000 2.462 456 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.220 456 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.220 456 G C 1.304 176.176 174.900 -0.047 0.000 1.121 456 G CA 0.519 45.601 45.100 -0.029 0.000 0.758 456 G HN 0.669 nan 8.290 nan 0.000 0.559 457 H N -0.413 118.600 119.070 -0.095 0.000 2.521 457 H HA 0.010 4.566 4.556 -0.001 0.000 0.286 457 H C 1.226 176.449 175.328 -0.175 0.000 1.034 457 H CA 0.617 56.546 56.048 -0.198 0.000 1.278 457 H CB -0.051 29.475 29.762 -0.393 0.000 1.386 457 H HN 0.445 nan 8.280 nan 0.000 0.567 458 F N -0.345 119.809 119.950 0.341 0.000 2.660 458 F HA 0.292 4.818 4.527 -0.001 0.000 0.302 458 F C 1.704 177.704 175.800 0.333 0.000 1.103 458 F CA 0.332 58.561 58.000 0.382 0.000 1.340 458 F CB 0.103 39.385 39.000 0.470 0.000 1.048 458 F HN 0.106 nan 8.300 nan 0.000 0.551 459 G N 0.693 109.728 108.800 0.391 0.000 2.176 459 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.252 459 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.252 459 G C -0.100 174.930 174.900 0.217 0.000 1.024 459 G CA 0.097 45.411 45.100 0.356 0.000 0.755 459 G HN 0.174 nan 8.290 nan 0.000 0.507 460 V N 0.676 120.707 119.914 0.196 0.000 2.408 460 V HA 0.270 4.390 4.120 -0.001 0.000 0.267 460 V C 1.465 177.645 176.094 0.144 0.000 1.047 460 V CA -0.355 62.003 62.300 0.097 0.000 0.937 460 V CB 0.837 32.737 31.823 0.127 0.000 0.999 460 V HN 0.307 nan 8.190 nan 0.000 0.472 461 Y N 4.168 124.432 120.300 -0.060 0.000 2.181 461 Y HA -0.150 4.400 4.550 -0.000 0.000 0.288 461 Y C 1.855 177.866 175.900 0.185 0.000 1.146 461 Y CA 1.756 59.909 58.100 0.088 0.000 1.164 461 Y CB -0.024 38.490 38.460 0.090 0.000 0.982 461 Y HN 0.718 nan 8.280 nan 0.000 0.515 462 N N 1.441 120.288 118.700 0.246 0.000 2.744 462 N HA 0.144 4.883 4.740 -0.001 0.000 0.290 462 N C -1.014 174.556 175.510 0.100 0.000 1.206 462 N CA 0.370 53.557 53.050 0.228 0.000 1.119 462 N CB -0.431 38.225 38.487 0.283 0.000 1.449 462 N HN 0.262 nan 8.380 nan 0.000 0.514 463 A N 3.677 126.369 122.820 -0.214 0.000 2.409 463 A HA 0.439 4.759 4.320 -0.001 0.000 0.267 463 A C -0.254 177.255 177.584 -0.124 0.000 1.127 463 A CA -0.201 51.660 52.037 -0.295 0.000 0.795 463 A CB 0.132 18.710 19.000 -0.702 0.000 1.061 463 A HN 0.547 nan 8.150 nan 0.000 0.502 464 I N 2.170 122.776 120.570 0.060 0.000 2.499 464 I HA 0.318 4.487 4.170 -0.001 0.000 0.288 464 I C -0.162 176.003 176.117 0.081 0.000 1.048 464 I CA -0.177 61.166 61.300 0.072 0.000 1.062 464 I CB 1.701 39.797 38.000 0.161 0.000 1.238 464 I HN 0.839 nan 8.210 nan 0.000 0.426 465 Q N 4.752 124.546 119.800 -0.010 0.000 2.293 465 Q HA 0.649 4.989 4.340 -0.001 0.000 0.261 465 Q C -0.972 175.002 176.000 -0.044 0.000 0.960 465 Q CA -0.362 55.452 55.803 0.018 0.000 0.882 465 Q CB 1.935 30.681 28.738 0.012 0.000 1.275 465 Q HN 0.815 nan 8.270 nan 0.000 0.445 466 S N 1.538 117.246 115.700 0.014 0.000 2.570 466 S HA 0.783 5.253 4.470 -0.001 0.000 0.286 466 S C -0.528 174.071 174.600 -0.003 0.000 1.099 466 S CA -0.734 57.448 58.200 -0.030 0.000 0.913 466 S CB 1.625 64.802 63.200 -0.037 0.000 1.085 466 S HN 0.580 nan 8.310 nan 0.000 0.480 467 V N -0.825 119.075 119.914 -0.024 0.000 2.769 467 V HA 0.829 4.949 4.120 -0.001 0.000 0.312 467 V C -0.297 175.788 176.094 -0.015 0.000 1.061 467 V CA -1.210 61.082 62.300 -0.013 0.000 0.931 467 V CB 1.528 33.340 31.823 -0.017 0.000 1.010 467 V HN 1.032 nan 8.190 nan 0.000 0.433 468 R N 2.928 123.421 120.500 -0.012 0.000 2.421 468 R HA 0.426 4.765 4.340 -0.001 0.000 0.305 468 R C -0.411 175.884 176.300 -0.008 0.000 1.039 468 R CA 0.694 56.785 56.100 -0.014 0.000 1.003 468 R CB -0.191 30.096 30.300 -0.022 0.000 0.959 468 R HN 0.904 nan 8.270 nan 0.000 0.427 469 K N 3.455 123.858 120.400 0.005 0.000 2.581 469 K HA 0.393 4.713 4.320 -0.001 0.000 0.249 469 K C -0.071 176.552 176.600 0.039 0.000 0.966 469 K CA -0.194 56.102 56.287 0.015 0.000 0.811 469 K CB 1.914 34.422 32.500 0.014 0.000 1.223 469 K HN 0.814 nan 8.250 nan 0.000 0.438 470 G N 3.004 111.821 108.800 0.028 0.000 2.596 470 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.304 470 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.304 470 G C -0.007 174.899 174.900 0.011 0.000 1.189 470 G CA 0.512 45.635 45.100 0.038 0.000 0.986 470 G HN 0.696 nan 8.290 nan 0.000 0.548 471 D N 1.577 121.988 120.400 0.018 0.000 2.424 471 D HA 0.358 4.998 4.640 -0.001 0.000 0.220 471 D C 0.497 176.532 176.300 -0.442 0.000 1.150 471 D CA 0.448 54.338 54.000 -0.182 0.000 0.831 471 D CB 0.238 40.903 40.800 -0.226 0.000 0.981 471 D HN 0.539 nan 8.370 nan 0.000 0.500 472 H N -1.127 117.912 119.070 -0.052 0.000 2.949 472 H HA 0.464 5.020 4.556 -0.001 0.000 0.356 472 H C -0.484 174.791 175.328 -0.088 0.000 1.212 472 H CA -0.712 55.289 56.048 -0.078 0.000 1.136 472 H CB 1.551 31.268 29.762 -0.075 0.000 1.869 472 H HN -0.222 nan 8.280 nan 0.000 0.556 473 L N 1.633 122.857 121.223 0.003 0.000 2.255 473 L HA 0.288 4.627 4.340 -0.001 0.000 0.289 473 L C -0.142 176.689 176.870 -0.065 0.000 1.046 473 L CA -0.478 54.328 54.840 -0.056 0.000 0.816 473 L CB 0.825 42.809 42.059 -0.125 0.000 1.197 473 L HN 0.518 nan 8.230 nan 0.000 0.427 474 E N 2.969 123.142 120.200 -0.045 0.000 2.194 474 E HA 0.231 4.581 4.350 -0.001 0.000 0.284 474 E C -0.722 175.811 176.600 -0.111 0.000 1.035 474 E CA -0.499 55.864 56.400 -0.062 0.000 0.836 474 E CB 1.247 30.930 29.700 -0.028 0.000 1.070 474 E HN 0.257 nan 8.360 nan 0.000 0.401 475 V N 5.977 125.778 119.914 -0.188 0.000 2.599 475 V HA -0.019 4.101 4.120 -0.001 0.000 0.300 475 V C 1.237 177.139 176.094 -0.319 0.000 1.034 475 V CA 0.703 62.780 62.300 -0.372 0.000 1.115 475 V CB 0.769 32.140 31.823 -0.754 0.000 0.934 475 V HN 0.757 nan 8.190 nan 0.000 0.485 476 V N 1.805 121.547 119.914 -0.287 0.000 3.570 476 V HA 0.739 4.859 4.120 -0.001 0.000 0.257 476 V C 0.698 176.716 176.094 -0.126 0.000 1.272 476 V CA 0.859 63.074 62.300 -0.143 0.000 1.079 476 V CB 0.207 31.988 31.823 -0.071 0.000 0.829 476 V HN 0.989 nan 8.190 nan 0.000 0.454 477 G N -2.022 106.618 108.800 -0.267 0.000 2.559 477 G HA2 0.711 4.671 3.960 -0.001 0.000 0.291 477 G HA3 0.711 4.671 3.960 -0.001 0.000 0.291 477 G C -0.360 174.517 174.900 -0.040 0.000 1.424 477 G CA 0.144 45.232 45.100 -0.019 0.000 0.786 477 G HN 1.384 nan 8.290 nan 0.000 0.485 478 G N -1.416 107.575 108.800 0.318 0.000 2.250 478 G HA2 0.418 4.378 3.960 -0.001 0.000 0.252 478 G HA3 0.418 4.378 3.960 -0.001 0.000 0.252 478 G C -0.057 175.181 174.900 0.563 0.000 1.325 478 G CA 0.187 45.469 45.100 0.304 0.000 1.091 478 G HN 1.436 nan 8.290 nan 0.000 0.476 479 T N 1.326 116.147 114.554 0.445 0.000 2.819 479 T HA 0.401 4.751 4.350 -0.001 0.000 0.282 479 T C 1.271 176.129 174.700 0.263 0.000 1.013 479 T CA 1.605 63.945 62.100 0.399 0.000 1.159 479 T CB 0.327 69.418 68.868 0.371 0.000 1.007 479 T HN 1.599 nan 8.240 nan 0.000 0.514 480 S N 2.825 118.550 115.700 0.040 0.000 3.830 480 S HA 0.218 4.688 4.470 -0.001 0.000 0.172 480 S C -0.298 174.025 174.600 -0.460 0.000 0.966 480 S CA -0.672 57.419 58.200 -0.182 0.000 1.124 480 S CB 0.065 63.545 63.200 0.466 0.000 1.697 480 S HN 0.567 nan 8.310 nan 0.000 0.872 481 Y N 3.145 123.162 120.300 -0.471 0.000 2.365 481 Y HA 0.687 5.237 4.550 -0.001 0.000 0.340 481 Y C -0.756 174.834 175.900 -0.517 0.000 1.016 481 Y CA -1.725 56.025 58.100 -0.583 0.000 1.196 481 Y CB 0.091 38.091 38.460 -0.767 0.000 1.167 481 Y HN 0.365 nan 8.280 nan 0.000 0.509 482 I N 6.778 126.753 120.570 -0.991 0.000 2.354 482 I HA 0.338 4.508 4.170 -0.001 0.000 0.292 482 I C -0.690 174.673 176.117 -1.258 0.000 0.989 482 I CA -0.631 60.051 61.300 -1.030 0.000 1.188 482 I CB 1.642 38.996 38.000 -1.077 0.000 1.342 482 I HN 0.565 nan 8.210 nan 0.000 0.457 483 Q N 6.941 126.132 119.800 -1.015 0.000 2.263 483 Q HA 0.516 4.856 4.340 -0.001 0.000 0.266 483 Q C -2.164 173.558 176.000 -0.463 0.000 1.002 483 Q CA -0.829 54.512 55.803 -0.770 0.000 0.790 483 Q CB 2.542 30.808 28.738 -0.787 0.000 1.272 483 Q HN 0.608 nan 8.270 nan 0.000 0.435 484 L N 4.981 125.996 121.223 -0.347 0.000 2.342 484 L HA 0.567 4.907 4.340 -0.001 0.000 0.276 484 L C -1.844 174.835 176.870 -0.319 0.000 0.997 484 L CA -0.494 54.222 54.840 -0.208 0.000 0.838 484 L CB 1.809 43.877 42.059 0.016 0.000 1.224 484 L HN 0.515 nan 8.230 nan 0.000 0.416 485 V N 3.902 123.589 119.914 -0.378 0.000 2.459 485 V HA 0.773 4.893 4.120 -0.001 0.000 0.295 485 V C 0.315 176.070 176.094 -0.564 0.000 1.029 485 V CA -0.148 61.795 62.300 -0.595 0.000 0.874 485 V CB 1.742 33.127 31.823 -0.729 0.000 0.985 485 V HN 0.886 nan 8.190 nan 0.000 0.438 486 T N 0.343 114.514 114.554 -0.638 0.000 2.888 486 T HA 0.768 5.117 4.350 -0.001 0.000 0.288 486 T C -0.863 173.383 174.700 -0.755 0.000 1.063 486 T CA -0.532 61.257 62.100 -0.519 0.000 1.010 486 T CB 1.889 70.625 68.868 -0.220 0.000 1.214 486 T HN 0.178 nan 8.240 nan 0.000 0.533 487 F N 1.676 121.606 119.950 -0.034 0.000 2.523 487 F HA 0.395 4.922 4.527 -0.000 0.000 0.322 487 F C -2.330 173.477 175.800 0.011 0.000 1.361 487 F CA -2.080 55.917 58.000 -0.005 0.000 1.151 487 F CB 0.814 39.831 39.000 0.028 0.000 1.391 487 F HN 0.337 nan 8.300 nan 0.000 0.566 488 P HA 0.043 nan 4.420 nan 0.000 0.274 488 P C 0.993 178.355 177.300 0.102 0.000 1.256 488 P CA -0.093 63.054 63.100 0.079 0.000 0.795 488 P CB 1.192 32.910 31.700 0.029 0.000 1.038 489 E N 0.485 120.735 120.200 0.082 0.000 2.097 489 E HA -0.269 4.081 4.350 -0.001 0.000 0.196 489 E C 1.234 177.886 176.600 0.087 0.000 1.000 489 E CA 1.680 58.130 56.400 0.084 0.000 0.804 489 E CB 0.006 29.742 29.700 0.061 0.000 0.740 489 E HN 0.429 nan 8.360 nan 0.000 0.454 490 E N -0.477 119.767 120.200 0.073 0.000 2.204 490 E HA 0.059 4.409 4.350 -0.001 0.000 0.195 490 E C 0.804 177.461 176.600 0.095 0.000 0.990 490 E CA 0.887 57.330 56.400 0.071 0.000 0.821 490 E CB 0.058 29.790 29.700 0.054 0.000 0.750 490 E HN 0.353 nan 8.360 nan 0.000 0.477 491 G N -0.397 108.472 108.800 0.115 0.000 2.353 491 G HA2 0.120 4.080 3.960 -0.001 0.000 0.308 491 G HA3 0.120 4.080 3.960 -0.001 0.000 0.308 491 G C -3.021 171.962 174.900 0.139 0.000 1.418 491 G CA -1.022 44.174 45.100 0.159 0.000 0.966 491 G HN -0.141 nan 8.290 nan 0.000 0.638 492 P HA 0.212 nan 4.420 nan 0.000 0.268 492 P C -0.681 176.506 177.300 -0.188 0.000 1.204 492 P CA 0.237 63.289 63.100 -0.080 0.000 0.768 492 P CB 0.996 32.645 31.700 -0.086 0.000 0.842 493 K N 2.511 122.713 120.400 -0.330 0.000 2.281 493 K HA 0.580 4.900 4.320 -0.001 0.000 0.272 493 K C -0.978 175.344 176.600 -0.463 0.000 1.048 493 K CA -0.673 55.444 56.287 -0.283 0.000 0.898 493 K CB 0.526 32.915 32.500 -0.185 0.000 1.128 493 K HN 0.481 nan 8.250 nan 0.000 0.460 494 A N 4.840 127.364 122.820 -0.493 0.000 2.318 494 A HA 0.538 4.857 4.320 -0.001 0.000 0.324 494 A C -0.935 176.465 177.584 -0.306 0.000 1.170 494 A CA -0.855 50.811 52.037 -0.618 0.000 0.810 494 A CB 0.940 19.266 19.000 -1.123 0.000 1.198 494 A HN 0.888 nan 8.150 nan 0.000 0.484 495 R N 1.885 122.236 120.500 -0.248 0.000 2.628 495 R HA 0.694 5.033 4.340 -0.001 0.000 0.288 495 R C 0.066 176.281 176.300 -0.141 0.000 0.980 495 R CA 0.385 56.428 56.100 -0.094 0.000 0.891 495 R CB 1.887 32.197 30.300 0.015 0.000 1.188 495 R HN 1.432 nan 8.270 nan 0.000 0.450 496 G N 2.327 111.035 108.800 -0.154 0.000 2.399 496 G HA2 0.300 4.260 3.960 -0.001 0.000 0.256 496 G HA3 0.300 4.260 3.960 -0.001 0.000 0.256 496 G C -1.966 172.688 174.900 -0.410 0.000 1.236 496 G CA -0.623 44.176 45.100 -0.501 0.000 0.914 496 G HN 0.510 nan 8.290 nan 0.000 0.482 497 L N -1.071 119.842 121.223 -0.518 0.000 2.869 497 L HA 0.543 4.883 4.340 -0.001 0.000 0.265 497 L C -1.776 174.887 176.870 -0.346 0.000 1.011 497 L CA -0.783 53.861 54.840 -0.327 0.000 0.913 497 L CB 2.329 44.230 42.059 -0.264 0.000 1.490 497 L HN 0.626 nan 8.230 nan 0.000 0.410 498 L N 1.345 122.383 121.223 -0.308 0.000 2.295 498 L HA 0.576 4.916 4.340 -0.001 0.000 0.281 498 L C 0.850 177.286 176.870 -0.724 0.000 1.018 498 L CA 0.228 54.771 54.840 -0.495 0.000 0.841 498 L CB 1.300 43.132 42.059 -0.378 0.000 1.218 498 L HN 0.739 nan 8.230 nan 0.000 0.424 499 A N 4.876 127.081 122.820 -1.025 0.000 1.948 499 A HA -0.203 4.117 4.320 -0.001 0.000 0.220 499 A C 1.385 178.360 177.584 -1.014 0.000 1.177 499 A CA 2.298 53.675 52.037 -1.100 0.000 0.636 499 A CB -0.841 17.185 19.000 -1.622 0.000 0.815 499 A HN 0.826 nan 8.150 nan 0.000 0.449 500 F N -1.707 117.682 119.950 -0.935 0.000 2.693 500 F HA 0.533 5.060 4.527 -0.000 0.000 0.303 500 F C 0.451 176.037 175.800 -0.356 0.000 1.097 500 F CA -0.642 56.876 58.000 -0.804 0.000 1.330 500 F CB -1.221 37.172 39.000 -1.011 0.000 1.067 500 F HN 0.023 nan 8.300 nan 0.000 0.565 501 S N 0.402 115.991 115.700 -0.186 0.000 3.661 501 S HA -0.198 4.272 4.470 -0.001 0.000 0.772 501 S C 0.709 175.378 174.600 0.116 0.000 1.194 501 S CA -0.063 58.120 58.200 -0.027 0.000 1.148 501 S CB -0.384 62.833 63.200 0.028 0.000 0.564 501 S HN 0.506 nan 8.310 nan 0.000 0.482 502 Q N 0.161 120.021 119.800 0.100 0.000 2.124 502 Q HA -0.024 4.315 4.340 -0.001 0.000 0.202 502 Q C 1.165 177.354 176.000 0.314 0.000 0.977 502 Q CA 1.643 57.535 55.803 0.149 0.000 0.850 502 Q CB -0.054 28.705 28.738 0.034 0.000 0.901 502 Q HN 0.664 nan 8.270 nan 0.000 0.429 503 S N -0.216 115.660 115.700 0.293 0.000 2.475 503 S HA 0.219 4.689 4.470 -0.001 0.000 0.298 503 S C 0.741 175.519 174.600 0.296 0.000 1.119 503 S CA -0.334 58.035 58.200 0.281 0.000 1.085 503 S CB 1.234 64.594 63.200 0.266 0.000 1.028 503 S HN 0.249 nan 8.310 nan 0.000 0.489 504 S N 2.535 118.364 115.700 0.214 0.000 2.593 504 S HA 0.119 4.589 4.470 -0.001 0.000 0.217 504 S C 0.216 174.927 174.600 0.185 0.000 0.966 504 S CA -0.185 58.141 58.200 0.209 0.000 0.914 504 S CB -0.129 63.123 63.200 0.086 0.000 0.776 504 S HN 0.728 nan 8.310 nan 0.000 0.523 505 D N 2.353 122.812 120.400 0.099 0.000 2.274 505 D HA 0.309 4.949 4.640 -0.001 0.000 0.239 505 D C -2.054 173.983 176.300 -0.438 0.000 1.104 505 D CA -2.170 51.768 54.000 -0.102 0.000 0.840 505 D CB 1.955 42.723 40.800 -0.053 0.000 1.100 505 D HN -0.050 nan 8.370 nan 0.000 0.477 506 P HA -0.067 nan 4.420 nan 0.000 0.221 506 P C 1.008 177.968 177.300 -0.566 0.000 1.145 506 P CA 0.898 63.197 63.100 -1.335 0.000 0.795 506 P CB 0.299 31.558 31.700 -0.735 0.000 0.775 507 R N -1.003 119.316 120.500 -0.302 0.000 2.193 507 R HA 0.075 4.415 4.340 -0.001 0.000 0.213 507 R C 1.218 177.463 176.300 -0.092 0.000 1.055 507 R CA 0.263 56.274 56.100 -0.148 0.000 0.995 507 R CB -0.392 29.848 30.300 -0.101 0.000 0.893 507 R HN 0.130 nan 8.270 nan 0.000 0.459 508 S N 1.046 116.703 115.700 -0.072 0.000 2.564 508 S HA 0.106 4.576 4.470 -0.001 0.000 0.278 508 S C -1.697 172.878 174.600 -0.041 0.000 1.333 508 S CA -1.549 56.643 58.200 -0.013 0.000 1.048 508 S CB 1.011 64.260 63.200 0.080 0.000 0.900 508 S HN -0.089 nan 8.310 nan 0.000 0.505 509 P HA -0.039 nan 4.420 nan 0.000 0.225 509 P C -0.016 177.033 177.300 -0.419 0.000 1.148 509 P CA 1.105 63.992 63.100 -0.355 0.000 0.779 509 P CB -0.014 31.329 31.700 -0.595 0.000 0.780 510 H N -3.163 115.979 119.070 0.120 0.000 2.481 510 H HA 0.180 4.736 4.556 -0.000 0.000 0.273 510 H C 0.593 176.024 175.328 0.172 0.000 1.145 510 H CA -0.493 55.624 56.048 0.115 0.000 0.964 510 H CB -0.272 29.543 29.762 0.088 0.000 1.722 510 H HN 0.170 nan 8.280 nan 0.000 0.573 511 Y N 2.598 122.952 120.300 0.091 0.000 2.365 511 Y HA -0.037 4.513 4.550 -0.000 0.000 0.293 511 Y C 1.785 177.737 175.900 0.087 0.000 1.119 511 Y CA 1.089 59.240 58.100 0.085 0.000 1.203 511 Y CB 0.580 39.071 38.460 0.051 0.000 1.026 511 Y HN 0.183 nan 8.280 nan 0.000 0.549 512 R N -1.267 119.232 120.500 -0.002 0.000 2.526 512 R HA 0.159 4.499 4.340 -0.001 0.000 0.346 512 R C 0.797 177.104 176.300 0.011 0.000 0.926 512 R CA 0.641 56.684 56.100 -0.095 0.000 1.147 512 R CB -0.573 29.645 30.300 -0.137 0.000 1.629 512 R HN 0.193 nan 8.270 nan 0.000 0.516 513 D N 1.980 122.419 120.400 0.065 0.000 2.117 513 D HA -0.232 4.407 4.640 -0.001 0.000 0.197 513 D C 1.514 177.850 176.300 0.061 0.000 0.987 513 D CA 1.323 55.371 54.000 0.079 0.000 0.829 513 D CB -0.213 40.666 40.800 0.130 0.000 0.961 513 D HN 0.415 nan 8.370 nan 0.000 0.460 514 Q N -0.340 119.481 119.800 0.036 0.000 2.331 514 Q HA 0.022 4.362 4.340 -0.001 0.000 0.203 514 Q C 1.939 177.962 176.000 0.039 0.000 0.944 514 Q CA 1.156 56.967 55.803 0.013 0.000 0.892 514 Q CB 0.011 28.713 28.738 -0.061 0.000 0.983 514 Q HN 0.349 nan 8.270 nan 0.000 0.482 515 T N 1.253 115.820 114.554 0.022 0.000 2.777 515 T HA -0.135 4.215 4.350 -0.001 0.000 0.266 515 T C 1.424 176.219 174.700 0.159 0.000 1.040 515 T CA 1.176 63.329 62.100 0.088 0.000 1.141 515 T CB -0.090 68.797 68.868 0.032 0.000 0.868 515 T HN 0.336 nan 8.240 nan 0.000 0.444 516 E N 0.940 121.200 120.200 0.100 0.000 2.085 516 E HA -0.076 4.274 4.350 -0.001 0.000 0.194 516 E C 2.151 178.817 176.600 0.110 0.000 0.994 516 E CA 0.925 57.383 56.400 0.095 0.000 0.801 516 E CB -0.334 29.407 29.700 0.067 0.000 0.743 516 E HN 0.416 nan 8.360 nan 0.000 0.453 517 L N -0.152 121.141 121.223 0.118 0.000 2.093 517 L HA -0.127 4.213 4.340 -0.001 0.000 0.208 517 L C 2.360 179.339 176.870 0.181 0.000 1.085 517 L CA 0.637 55.553 54.840 0.128 0.000 0.755 517 L CB -0.314 41.814 42.059 0.115 0.000 0.904 517 L HN 0.134 nan 8.230 nan 0.000 0.435 518 F N 0.380 120.376 119.950 0.077 0.000 2.134 518 F HA -0.272 4.255 4.527 -0.001 0.000 0.299 518 F C 2.860 178.754 175.800 0.156 0.000 1.097 518 F CA 1.674 59.747 58.000 0.121 0.000 1.264 518 F CB -0.369 38.681 39.000 0.083 0.000 1.001 518 F HN -0.025 nan 8.300 nan 0.000 0.479 519 S N 0.232 116.015 115.700 0.138 0.000 2.374 519 S HA -0.226 4.243 4.470 -0.001 0.000 0.227 519 S C 2.061 176.646 174.600 -0.025 0.000 1.037 519 S CA 1.569 59.800 58.200 0.052 0.000 1.024 519 S CB -0.343 62.922 63.200 0.109 0.000 0.861 519 S HN 0.507 nan 8.310 nan 0.000 0.456 520 R N 0.264 120.766 120.500 0.004 0.000 2.317 520 R HA 0.212 4.551 4.340 -0.001 0.000 0.208 520 R C 0.053 176.335 176.300 -0.030 0.000 0.914 520 R CA 0.218 56.315 56.100 -0.005 0.000 1.060 520 R CB -0.031 30.281 30.300 0.020 0.000 1.015 520 R HN 0.522 nan 8.270 nan 0.000 0.498 521 Q N 0.720 120.486 119.800 -0.056 0.000 2.451 521 Q HA -0.230 4.110 4.340 -0.001 0.000 0.305 521 Q C -0.950 175.066 176.000 0.026 0.000 1.345 521 Q CA 0.735 56.519 55.803 -0.032 0.000 0.854 521 Q CB -1.489 27.174 28.738 -0.125 0.000 1.162 521 Q HN 0.488 nan 8.270 nan 0.000 0.440 522 Q N 0.313 120.195 119.800 0.136 0.000 2.509 522 Q HA 0.206 4.546 4.340 -0.001 0.000 0.236 522 Q C -0.529 175.644 176.000 0.288 0.000 1.073 522 Q CA -0.520 55.358 55.803 0.125 0.000 0.867 522 Q CB 0.621 29.401 28.738 0.071 0.000 1.181 522 Q HN 0.167 nan 8.270 nan 0.000 0.526 523 W N 1.579 122.866 121.300 -0.021 0.000 2.126 523 W HA 0.226 4.885 4.660 -0.001 0.000 0.346 523 W C 0.524 177.022 176.519 -0.035 0.000 1.279 523 W CA -0.396 56.933 57.345 -0.027 0.000 1.259 523 W CB 0.410 29.841 29.460 -0.047 0.000 1.133 523 W HN 0.374 nan 8.180 nan 0.000 0.592 524 Q N 0.152 120.057 119.800 0.175 0.000 2.451 524 Q HA 0.325 4.664 4.340 -0.001 0.000 0.281 524 Q C -0.487 175.534 176.000 0.035 0.000 1.099 524 Q CA -0.912 54.938 55.803 0.079 0.000 0.806 524 Q CB 1.359 30.125 28.738 0.047 0.000 1.419 524 Q HN 0.260 nan 8.270 nan 0.000 0.427 525 T N 1.711 116.277 114.554 0.020 0.000 2.934 525 T HA 0.161 4.511 4.350 -0.001 0.000 0.306 525 T C 0.289 174.989 174.700 0.001 0.000 1.042 525 T CA 0.224 62.323 62.100 -0.001 0.000 1.145 525 T CB -0.039 68.834 68.868 0.008 0.000 0.982 525 T HN 0.209 nan 8.240 nan 0.000 0.544 526 L N 6.539 127.757 121.223 -0.008 0.000 2.272 526 L HA 0.333 4.672 4.340 -0.001 0.000 0.284 526 L C -1.958 174.982 176.870 0.116 0.000 1.045 526 L CA -2.177 52.694 54.840 0.051 0.000 0.842 526 L CB 0.615 42.716 42.059 0.070 0.000 1.224 526 L HN 0.375 nan 8.230 nan 0.000 0.430 527 P HA 0.053 nan 4.420 nan 0.000 0.276 527 P C -0.289 177.127 177.300 0.193 0.000 1.235 527 P CA -0.037 63.139 63.100 0.128 0.000 0.772 527 P CB 1.464 33.212 31.700 0.080 0.000 0.871 528 F N 2.160 122.124 119.950 0.023 0.000 2.581 528 F HA 0.109 4.636 4.527 -0.001 0.000 0.278 528 F C 0.911 176.714 175.800 0.005 0.000 1.000 528 F CA 0.280 58.230 58.000 -0.085 0.000 1.230 528 F CB -0.058 38.984 39.000 0.070 0.000 1.008 528 F HN 0.269 nan 8.300 nan 0.000 0.695 529 S N 0.672 116.372 115.700 -0.000 0.000 2.603 529 S HA 0.111 4.581 4.470 -0.001 0.000 0.268 529 S C 0.740 175.309 174.600 -0.051 0.000 1.317 529 S CA -0.236 57.914 58.200 -0.083 0.000 1.012 529 S CB 0.884 64.107 63.200 0.037 0.000 0.926 529 S HN 0.258 nan 8.310 nan 0.000 0.539 530 D N 0.877 121.243 120.400 -0.057 0.000 2.149 530 D HA -0.128 4.512 4.640 -0.001 0.000 0.198 530 D C 1.983 178.281 176.300 -0.003 0.000 0.990 530 D CA 1.143 55.127 54.000 -0.027 0.000 0.839 530 D CB -0.295 40.487 40.800 -0.031 0.000 0.948 530 D HN 0.700 nan 8.370 nan 0.000 0.460 531 R N 0.792 121.295 120.500 0.004 0.000 2.083 531 R HA -0.167 4.173 4.340 -0.001 0.000 0.237 531 R C 2.122 178.435 176.300 0.022 0.000 1.137 531 R CA 1.418 57.526 56.100 0.015 0.000 0.951 531 R CB -0.060 30.252 30.300 0.020 0.000 0.851 531 R HN 0.236 nan 8.270 nan 0.000 0.434 532 Q N 0.145 119.964 119.800 0.032 0.000 2.050 532 Q HA -0.162 4.178 4.340 -0.001 0.000 0.202 532 Q C 2.285 178.308 176.000 0.037 0.000 0.980 532 Q CA 1.919 57.746 55.803 0.041 0.000 0.840 532 Q CB -0.147 28.629 28.738 0.064 0.000 0.898 532 Q HN 0.431 nan 8.270 nan 0.000 0.424 533 I N 0.713 121.305 120.570 0.037 0.000 2.179 533 I HA -0.278 3.892 4.170 -0.001 0.000 0.242 533 I C 1.908 178.040 176.117 0.024 0.000 1.088 533 I CA 1.365 62.687 61.300 0.036 0.000 1.357 533 I CB -0.213 37.811 38.000 0.040 0.000 1.051 533 I HN 0.171 nan 8.210 nan 0.000 0.409 534 D N 0.625 121.035 120.400 0.017 0.000 2.264 534 D HA -0.105 4.535 4.640 -0.001 0.000 0.208 534 D C 2.053 178.362 176.300 0.016 0.000 0.966 534 D CA 1.053 55.062 54.000 0.014 0.000 0.864 534 D CB 0.099 40.905 40.800 0.009 0.000 0.933 534 D HN 0.320 nan 8.370 nan 0.000 0.499 535 A N -0.214 122.617 122.820 0.019 0.000 2.168 535 A HA -0.063 4.257 4.320 -0.001 0.000 0.215 535 A C 1.057 178.653 177.584 0.020 0.000 1.152 535 A CA 0.337 52.385 52.037 0.019 0.000 0.716 535 A CB -0.124 18.887 19.000 0.020 0.000 0.794 535 A HN 0.129 nan 8.150 nan 0.000 0.465 536 D N 0.517 120.930 120.400 0.022 0.000 2.339 536 D HA 0.147 4.787 4.640 -0.001 0.000 0.256 536 D C -1.538 174.775 176.300 0.023 0.000 1.214 536 D CA -1.765 52.249 54.000 0.023 0.000 0.877 536 D CB 1.199 42.014 40.800 0.025 0.000 1.111 536 D HN 0.135 nan 8.370 nan 0.000 0.478 537 P HA -0.071 nan 4.420 nan 0.000 0.234 537 P C 0.585 177.901 177.300 0.028 0.000 1.167 537 P CA 0.544 63.659 63.100 0.024 0.000 0.763 537 P CB 0.531 32.245 31.700 0.023 0.000 0.835 538 Q N -0.562 119.257 119.800 0.032 0.000 2.280 538 Q HA 0.129 4.469 4.340 -0.001 0.000 0.201 538 Q C 0.616 176.638 176.000 0.037 0.000 0.890 538 Q CA -0.573 55.255 55.803 0.041 0.000 0.947 538 Q CB -0.346 28.424 28.738 0.052 0.000 1.081 538 Q HN 0.252 nan 8.270 nan 0.000 0.502 539 L N 2.155 123.395 121.223 0.028 0.000 2.601 539 L HA -0.097 4.243 4.340 -0.001 0.000 0.277 539 L C -0.298 176.587 176.870 0.026 0.000 1.219 539 L CA 1.087 55.942 54.840 0.024 0.000 0.915 539 L CB 0.209 42.279 42.059 0.019 0.000 1.160 539 L HN 0.065 nan 8.230 nan 0.000 0.494 540 Q N 4.712 124.527 119.800 0.027 0.000 2.413 540 Q HA 0.654 4.994 4.340 -0.001 0.000 0.276 540 Q C -1.078 174.934 176.000 0.020 0.000 1.099 540 Q CA -0.934 54.886 55.803 0.027 0.000 0.814 540 Q CB 2.538 31.299 28.738 0.040 0.000 1.379 540 Q HN 0.630 nan 8.270 nan 0.000 0.436 541 R N 1.531 122.041 120.500 0.017 0.000 2.673 541 R HA 0.681 5.021 4.340 -0.001 0.000 0.281 541 R C -2.179 174.128 176.300 0.011 0.000 0.991 541 R CA -0.696 55.410 56.100 0.010 0.000 0.896 541 R CB 1.300 31.602 30.300 0.005 0.000 1.201 541 R HN 0.528 nan 8.270 nan 0.000 0.457 542 L N 1.987 123.215 121.223 0.009 0.000 2.505 542 L HA 0.500 4.840 4.340 -0.001 0.000 0.266 542 L C -1.585 175.287 176.870 0.003 0.000 0.954 542 L CA -0.017 54.828 54.840 0.009 0.000 0.852 542 L CB 2.635 44.702 42.059 0.014 0.000 1.282 542 L HN 0.590 nan 8.230 nan 0.000 0.403 543 S N 5.612 121.313 115.700 0.002 0.000 2.451 543 S HA 0.826 5.296 4.470 -0.001 0.000 0.301 543 S C -0.449 174.151 174.600 0.000 0.000 1.116 543 S CA -0.496 57.703 58.200 -0.001 0.000 1.093 543 S CB 0.898 64.096 63.200 -0.003 0.000 1.017 543 S HN 0.594 nan 8.310 nan 0.000 0.482 544 I N 0.817 121.386 120.570 -0.001 0.000 2.785 544 I HA 0.867 5.037 4.170 -0.001 0.000 0.302 544 I C -0.590 175.525 176.117 -0.002 0.000 1.069 544 I CA -1.204 60.096 61.300 -0.000 0.000 1.045 544 I CB 2.140 40.141 38.000 0.001 0.000 1.236 544 I HN 0.695 nan 8.210 nan 0.000 0.429 545 R N 2.933 123.432 120.500 -0.002 0.000 2.710 545 R HA 0.748 5.088 4.340 -0.001 0.000 0.270 545 R C -1.764 174.534 176.300 -0.003 0.000 1.021 545 R CA -0.675 55.423 56.100 -0.003 0.000 0.889 545 R CB 2.487 32.785 30.300 -0.003 0.000 1.243 545 R HN 0.944 nan 8.270 nan 0.000 0.464 546 E N 0.000 120.198 120.200 -0.004 0.000 2.725 546 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 546 E CA 0.000 56.398 56.400 -0.004 0.000 0.976 546 E CB 0.000 29.697 29.700 -0.004 0.000 0.812 546 E HN 0.000 nan 8.360 nan 0.000 0.440