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 1nhv_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQXX DATA SEQUENCE XXXRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AAcRAAKLQD cTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YHS 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 0.000 174.568 174.600 -0.054 0.000 1.055 1 S CA 0.000 58.172 58.200 -0.046 0.000 1.107 1 S CB 0.000 63.163 63.200 -0.062 0.000 0.593 2 M N 3.240 122.798 119.600 -0.069 0.000 2.217 2 M HA 0.308 4.788 4.480 -0.001 0.000 0.354 2 M C 1.947 178.139 176.300 -0.180 0.000 1.225 2 M CA -0.206 55.043 55.300 -0.085 0.000 1.137 2 M CB 0.973 33.538 32.600 -0.059 0.000 1.576 2 M HN 1.110 nan 8.290 nan 0.000 0.461 3 S N 3.228 118.762 115.700 -0.277 0.000 2.370 3 S HA -0.101 4.368 4.470 -0.001 0.000 0.226 3 S C 0.159 174.390 174.600 -0.616 0.000 1.033 3 S CA 1.038 58.948 58.200 -0.482 0.000 1.011 3 S CB -0.129 62.688 63.200 -0.638 0.000 0.852 3 S HN 0.634 nan 8.310 nan 0.000 0.457 4 Y N 0.489 120.611 120.300 -0.297 0.000 2.588 4 Y HA 0.577 5.127 4.550 -0.001 0.000 0.343 4 Y C -0.243 175.333 175.900 -0.540 0.000 1.065 4 Y CA -0.808 57.004 58.100 -0.479 0.000 1.038 4 Y CB 2.007 40.038 38.460 -0.715 0.000 1.297 4 Y HN 0.155 nan 8.280 nan 0.000 0.467 5 T N -2.148 112.102 114.554 -0.506 0.000 2.879 5 T HA 0.590 4.940 4.350 -0.001 0.000 0.290 5 T C -1.402 172.981 174.700 -0.528 0.000 0.993 5 T CA -0.755 61.120 62.100 -0.374 0.000 0.975 5 T CB 0.534 69.313 68.868 -0.149 0.000 0.981 5 T HN 0.534 nan 8.240 nan 0.000 0.439 6 W N 1.732 123.084 121.300 0.086 0.000 2.578 6 W HA 0.497 5.157 4.660 -0.001 0.000 0.346 6 W C 1.574 178.122 176.519 0.048 0.000 1.075 6 W CA -0.677 56.704 57.345 0.059 0.000 1.233 6 W CB 1.870 31.348 29.460 0.030 0.000 1.358 6 W HN 0.864 nan 8.180 nan 0.000 0.574 7 T N -2.414 112.321 114.554 0.302 0.000 3.037 7 T HA 0.328 4.677 4.350 -0.001 0.000 0.251 7 T C 1.400 176.190 174.700 0.150 0.000 1.079 7 T CA 0.689 62.893 62.100 0.174 0.000 1.067 7 T CB 0.108 69.056 68.868 0.133 0.000 0.948 7 T HN 1.120 nan 8.240 nan 0.000 0.496 8 G N 1.336 110.241 108.800 0.175 0.000 2.238 8 G HA2 0.013 3.972 3.960 -0.001 0.000 0.217 8 G HA3 0.013 3.972 3.960 -0.001 0.000 0.217 8 G C 0.401 175.334 174.900 0.056 0.000 0.996 8 G CA -0.162 44.994 45.100 0.093 0.000 0.632 8 G HN 1.127 nan 8.290 nan 0.000 0.503 9 A N 0.844 123.711 122.820 0.078 0.000 2.498 9 A HA 0.617 4.936 4.320 -0.001 0.000 0.239 9 A C 0.730 178.329 177.584 0.024 0.000 1.068 9 A CA 0.300 52.367 52.037 0.051 0.000 0.766 9 A CB 0.168 19.209 19.000 0.067 0.000 1.003 9 A HN 0.915 nan 8.150 nan 0.000 0.497 10 L N 2.016 123.239 121.223 -0.000 0.000 2.395 10 L HA 0.282 4.621 4.340 -0.001 0.000 0.269 10 L C 0.066 176.923 176.870 -0.022 0.000 1.133 10 L CA -0.306 54.516 54.840 -0.031 0.000 0.812 10 L CB 0.866 42.907 42.059 -0.029 0.000 1.125 10 L HN 0.556 nan 8.230 nan 0.000 0.452 11 I N 2.209 122.747 120.570 -0.052 0.000 2.389 11 I HA 0.036 4.205 4.170 -0.001 0.000 0.295 11 I C 0.645 176.755 176.117 -0.013 0.000 1.117 11 I CA -0.133 61.151 61.300 -0.027 0.000 1.317 11 I CB 0.203 38.169 38.000 -0.058 0.000 1.431 11 I HN 0.650 nan 8.210 nan 0.000 0.521 12 T N 5.051 119.608 114.554 0.004 0.000 2.897 12 T HA 0.387 4.736 4.350 -0.001 0.000 0.294 12 T C -2.281 172.430 174.700 0.019 0.000 1.004 12 T CA -1.848 60.257 62.100 0.009 0.000 1.106 12 T CB 1.251 70.125 68.868 0.010 0.000 0.949 12 T HN 0.314 nan 8.240 nan 0.000 0.520 13 P HA 0.194 nan 4.420 nan 0.000 0.281 13 P C 0.622 177.938 177.300 0.027 0.000 1.252 13 P CA -0.622 62.493 63.100 0.026 0.000 0.778 13 P CB 1.078 32.792 31.700 0.025 0.000 0.895 14 C N 2.993 122.313 119.300 0.033 0.000 2.448 14 C HA 0.320 4.779 4.460 -0.001 0.000 0.280 14 C C 1.157 176.162 174.990 0.025 0.000 1.398 14 C CA 1.234 60.271 59.018 0.031 0.000 1.774 14 C CB -1.303 26.462 27.740 0.042 0.000 1.888 14 C HN 0.725 nan 8.230 nan 0.000 0.519 15 A N -0.521 122.315 122.820 0.027 0.000 2.733 15 A HA 0.771 5.090 4.320 -0.001 0.000 0.299 15 A C -0.568 177.036 177.584 0.034 0.000 1.252 15 A CA 0.193 52.246 52.037 0.028 0.000 0.677 15 A CB -0.161 18.855 19.000 0.028 0.000 1.361 15 A HN 0.864 nan 8.150 nan 0.000 0.528 16 A N -0.086 122.757 122.820 0.039 0.000 2.425 16 A HA 0.550 4.869 4.320 -0.001 0.000 0.249 16 A C -0.241 177.380 177.584 0.062 0.000 1.084 16 A CA 0.128 52.193 52.037 0.048 0.000 0.781 16 A CB -0.230 18.800 19.000 0.050 0.000 1.019 16 A HN 0.557 nan 8.150 nan 0.000 0.490 17 E N 1.652 121.893 120.200 0.070 0.000 2.191 17 E HA 0.292 4.641 4.350 -0.001 0.000 0.263 17 E C -1.103 175.573 176.600 0.127 0.000 0.881 17 E CA -0.378 56.074 56.400 0.087 0.000 0.757 17 E CB 1.814 31.553 29.700 0.066 0.000 1.147 17 E HN 0.740 nan 8.360 nan 0.000 0.414 18 E N 1.095 121.412 120.200 0.196 0.000 2.216 18 E HA 0.145 4.494 4.350 -0.001 0.000 0.279 18 E C 0.311 177.140 176.600 0.381 0.000 0.997 18 E CA -0.139 56.433 56.400 0.287 0.000 0.817 18 E CB 1.338 31.267 29.700 0.382 0.000 1.096 18 E HN 0.545 nan 8.360 nan 0.000 0.393 19 S N 1.825 117.731 115.700 0.343 0.000 2.554 19 S HA 0.064 4.533 4.470 -0.001 0.000 0.227 19 S C 0.089 174.971 174.600 0.469 0.000 1.050 19 S CA -0.419 57.998 58.200 0.361 0.000 0.927 19 S CB 0.131 63.481 63.200 0.249 0.000 0.859 19 S HN 0.227 nan 8.310 nan 0.000 0.494 20 K N 2.311 122.921 120.400 0.350 0.000 2.206 20 K HA 0.615 4.934 4.320 -0.001 0.000 0.264 20 K C -0.818 175.772 176.600 -0.017 0.000 0.967 20 K CA -0.973 55.452 56.287 0.229 0.000 0.844 20 K CB 0.723 33.295 32.500 0.120 0.000 1.099 20 K HN 0.143 nan 8.250 nan 0.000 0.441 21 L N 3.955 125.168 121.223 -0.016 0.000 2.737 21 L HA 0.073 4.412 4.340 -0.001 0.000 0.275 21 L C -2.331 174.230 176.870 -0.517 0.000 1.179 21 L CA -0.591 54.004 54.840 -0.408 0.000 0.970 21 L CB -0.466 41.554 42.059 -0.064 0.000 1.268 21 L HN 0.552 nan 8.230 nan 0.000 0.485 22 P HA 0.206 nan 4.420 nan 0.000 0.271 22 P C -0.953 176.124 177.300 -0.372 0.000 1.218 22 P CA 0.002 62.811 63.100 -0.485 0.000 0.780 22 P CB 0.603 31.990 31.700 -0.521 0.000 0.901 23 I N 2.560 122.978 120.570 -0.253 0.000 2.465 23 I HA 0.366 4.535 4.170 -0.001 0.000 0.291 23 I C 0.309 176.342 176.117 -0.139 0.000 1.014 23 I CA -0.728 60.433 61.300 -0.232 0.000 1.093 23 I CB 1.525 39.394 38.000 -0.219 0.000 1.267 23 I HN 0.463 nan 8.210 nan 0.000 0.431 24 N N 4.091 122.722 118.700 -0.115 0.000 3.201 24 N HA 0.515 5.254 4.740 -0.001 0.000 0.344 24 N C 0.558 176.044 175.510 -0.040 0.000 1.465 24 N CA -0.432 52.579 53.050 -0.065 0.000 0.731 24 N CB 0.411 38.863 38.487 -0.059 0.000 1.677 24 N HN 0.406 nan 8.380 nan 0.000 0.631 25 A N -0.548 122.257 122.820 -0.025 0.000 2.019 25 A HA 0.053 4.372 4.320 -0.001 0.000 0.219 25 A C 1.873 179.452 177.584 -0.010 0.000 1.164 25 A CA 1.037 53.066 52.037 -0.013 0.000 0.644 25 A CB -1.032 17.961 19.000 -0.012 0.000 0.805 25 A HN 0.555 nan 8.150 nan 0.000 0.449 26 L N -1.152 120.062 121.223 -0.016 0.000 2.249 26 L HA -0.056 4.283 4.340 -0.001 0.000 0.207 26 L C 2.640 179.535 176.870 0.043 0.000 1.090 26 L CA 0.685 55.528 54.840 0.005 0.000 0.802 26 L CB -0.504 41.538 42.059 -0.028 0.000 0.947 26 L HN 0.275 nan 8.230 nan 0.000 0.453 27 S N 0.998 116.696 115.700 -0.003 0.000 2.422 27 S HA -0.274 4.196 4.470 -0.001 0.000 0.248 27 S C 1.628 176.249 174.600 0.035 0.000 1.069 27 S CA 2.177 60.360 58.200 -0.029 0.000 1.214 27 S CB -0.555 62.557 63.200 -0.148 0.000 1.122 27 S HN 0.496 nan 8.310 nan 0.000 0.432 28 N N 1.341 120.086 118.700 0.075 0.000 2.519 28 N HA -0.041 4.699 4.740 -0.001 0.000 0.186 28 N C 1.561 177.099 175.510 0.047 0.000 1.062 28 N CA 1.029 54.144 53.050 0.108 0.000 0.910 28 N CB -0.496 38.054 38.487 0.106 0.000 0.958 28 N HN 0.642 nan 8.380 nan 0.000 0.445 29 S N -0.859 114.866 115.700 0.042 0.000 2.607 29 S HA 0.056 4.525 4.470 -0.001 0.000 0.224 29 S C 1.449 176.048 174.600 -0.002 0.000 0.969 29 S CA 0.098 58.299 58.200 0.002 0.000 0.927 29 S CB 0.083 63.321 63.200 0.062 0.000 0.772 29 S HN 0.232 nan 8.310 nan 0.000 0.533 30 L N -0.506 120.730 121.223 0.021 0.000 2.775 30 L HA 0.613 4.952 4.340 -0.001 0.000 0.175 30 L C -0.327 176.601 176.870 0.097 0.000 1.110 30 L CA 0.265 55.129 54.840 0.039 0.000 0.862 30 L CB 0.481 42.326 42.059 -0.356 0.000 1.381 30 L HN 0.408 nan 8.230 nan 0.000 0.499 31 L N 0.351 121.614 121.223 0.068 0.000 2.404 31 L HA 0.448 4.787 4.340 -0.001 0.000 0.272 31 L C 0.353 177.335 176.870 0.186 0.000 0.980 31 L CA -0.389 54.509 54.840 0.096 0.000 0.836 31 L CB 1.527 43.646 42.059 0.099 0.000 1.238 31 L HN 0.182 nan 8.230 nan 0.000 0.408 32 R N 1.681 122.243 120.500 0.103 0.000 2.210 32 R HA 0.116 4.455 4.340 -0.001 0.000 0.203 32 R C 0.038 176.385 176.300 0.079 0.000 1.010 32 R CA 0.373 56.534 56.100 0.101 0.000 1.008 32 R CB 0.060 30.369 30.300 0.015 0.000 0.923 32 R HN 0.649 nan 8.270 nan 0.000 0.469 33 H N 0.449 119.553 119.070 0.057 0.000 2.982 33 H HA 0.084 4.639 4.556 -0.001 0.000 0.261 33 H C 0.424 175.846 175.328 0.155 0.000 1.603 33 H CA -0.346 55.718 56.048 0.027 0.000 1.398 33 H CB 0.205 29.997 29.762 0.048 0.000 1.693 33 H HN 0.366 nan 8.280 nan 0.000 0.535 34 H N 0.926 120.091 119.070 0.158 0.000 2.421 34 H HA -0.110 4.446 4.556 -0.001 0.000 0.298 34 H C 1.323 176.723 175.328 0.120 0.000 1.087 34 H CA 0.171 56.288 56.048 0.115 0.000 1.330 34 H CB 0.392 30.195 29.762 0.068 0.000 1.388 34 H HN 0.515 nan 8.280 nan 0.000 0.526 35 N N 0.443 119.257 118.700 0.190 0.000 2.609 35 N HA -0.072 4.667 4.740 -0.001 0.000 0.190 35 N C 1.293 176.892 175.510 0.149 0.000 1.157 35 N CA 0.671 53.799 53.050 0.130 0.000 0.918 35 N CB 0.150 38.663 38.487 0.045 0.000 0.978 35 N HN 0.481 nan 8.380 nan 0.000 0.448 36 M N -0.400 119.322 119.600 0.202 0.000 2.466 36 M HA 0.129 4.608 4.480 -0.001 0.000 0.265 36 M C 0.339 176.818 176.300 0.297 0.000 1.122 36 M CA 0.467 55.898 55.300 0.218 0.000 1.157 36 M CB 0.122 32.857 32.600 0.224 0.000 1.352 36 M HN -0.264 nan 8.290 nan 0.000 0.464 37 V N 1.852 121.953 119.914 0.311 0.000 2.427 37 V HA 0.348 4.467 4.120 -0.001 0.000 0.286 37 V C -0.658 175.712 176.094 0.460 0.000 1.034 37 V CA -0.727 61.784 62.300 0.350 0.000 0.893 37 V CB 0.788 32.781 31.823 0.283 0.000 0.982 37 V HN 0.397 nan 8.190 nan 0.000 0.452 38 Y N 2.398 122.858 120.300 0.266 0.000 2.689 38 Y HA 0.934 5.483 4.550 -0.001 0.000 0.333 38 Y C -0.513 175.469 175.900 0.138 0.000 1.190 38 Y CA -1.662 56.611 58.100 0.287 0.000 1.063 38 Y CB 1.483 40.064 38.460 0.201 0.000 1.294 38 Y HN 0.720 nan 8.280 nan 0.000 0.466 39 A N 1.039 123.854 122.820 -0.009 0.000 2.365 39 A HA 0.680 5.000 4.320 -0.001 0.000 0.318 39 A C -0.382 177.177 177.584 -0.042 0.000 1.091 39 A CA -0.442 51.365 52.037 -0.383 0.000 0.763 39 A CB 0.617 19.174 19.000 -0.738 0.000 1.248 39 A HN 1.114 nan 8.150 nan 0.000 0.442 40 T N 0.198 114.705 114.554 -0.078 0.000 2.884 40 T HA 0.552 4.901 4.350 -0.001 0.000 0.298 40 T C 0.388 175.115 174.700 0.046 0.000 0.998 40 T CA 0.351 62.513 62.100 0.103 0.000 1.124 40 T CB 0.698 69.655 68.868 0.148 0.000 0.931 40 T HN 1.380 nan 8.240 nan 0.000 0.531 41 T N -1.512 113.090 114.554 0.080 0.000 2.887 41 T HA 0.477 4.827 4.350 -0.001 0.000 0.292 41 T C 1.341 176.066 174.700 0.041 0.000 1.087 41 T CA -0.270 61.861 62.100 0.053 0.000 1.009 41 T CB 1.348 70.258 68.868 0.070 0.000 1.203 41 T HN 0.726 nan 8.240 nan 0.000 0.518 42 S N -0.215 115.502 115.700 0.027 0.000 2.584 42 S HA -0.066 4.403 4.470 -0.001 0.000 0.240 42 S C 1.700 176.301 174.600 0.002 0.000 0.975 42 S CA 0.194 58.401 58.200 0.011 0.000 0.949 42 S CB -0.635 62.571 63.200 0.010 0.000 0.761 42 S HN 0.702 nan 8.310 nan 0.000 0.536 43 R N 1.273 121.783 120.500 0.017 0.000 2.148 43 R HA -0.002 4.337 4.340 -0.001 0.000 0.223 43 R C 1.909 178.208 176.300 -0.002 0.000 1.088 43 R CA 1.379 57.485 56.100 0.010 0.000 0.985 43 R CB -0.232 30.084 30.300 0.027 0.000 0.880 43 R HN 0.703 nan 8.270 nan 0.000 0.451 44 S N -1.290 114.415 115.700 0.007 0.000 2.557 44 S HA 0.211 4.681 4.470 -0.001 0.000 0.223 44 S C 1.651 176.232 174.600 -0.033 0.000 0.969 44 S CA 0.175 58.373 58.200 -0.003 0.000 0.927 44 S CB 1.016 64.235 63.200 0.031 0.000 0.806 44 S HN 0.236 nan 8.310 nan 0.000 0.489 45 A N 2.014 124.804 122.820 -0.051 0.000 1.978 45 A HA 0.149 4.468 4.320 -0.001 0.000 0.220 45 A C 2.230 179.709 177.584 -0.174 0.000 1.170 45 A CA 1.588 53.566 52.037 -0.098 0.000 0.636 45 A CB -1.610 17.329 19.000 -0.102 0.000 0.810 45 A HN 0.660 nan 8.150 nan 0.000 0.448 46 G N -0.185 108.517 108.800 -0.164 0.000 2.418 46 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.217 46 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.217 46 G C 1.549 176.348 174.900 -0.168 0.000 1.158 46 G CA 1.022 45.998 45.100 -0.207 0.000 0.771 46 G HN 0.445 nan 8.290 nan 0.000 0.545 47 L N -0.226 120.937 121.223 -0.100 0.000 1.970 47 L HA -0.091 4.248 4.340 -0.001 0.000 0.212 47 L C 2.923 179.757 176.870 -0.060 0.000 1.071 47 L CA 1.521 56.323 54.840 -0.062 0.000 0.751 47 L CB -0.368 41.671 42.059 -0.034 0.000 0.889 47 L HN 0.159 nan 8.230 nan 0.000 0.432 48 R N 0.453 120.914 120.500 -0.064 0.000 2.105 48 R HA -0.197 4.142 4.340 -0.001 0.000 0.239 48 R C 2.187 178.436 176.300 -0.084 0.000 1.135 48 R CA 1.614 57.687 56.100 -0.045 0.000 0.967 48 R CB -0.446 29.832 30.300 -0.037 0.000 0.861 48 R HN 0.424 nan 8.270 nan 0.000 0.442 49 Q N -0.324 119.345 119.800 -0.218 0.000 2.170 49 Q HA -0.136 4.203 4.340 -0.001 0.000 0.203 49 Q C 1.828 177.770 176.000 -0.096 0.000 0.976 49 Q CA 1.739 57.329 55.803 -0.355 0.000 0.858 49 Q CB -0.006 28.204 28.738 -0.881 0.000 0.907 49 Q HN 0.362 nan 8.270 nan 0.000 0.433 50 K N 0.544 120.908 120.400 -0.060 0.000 2.076 50 K HA -0.037 4.283 4.320 -0.001 0.000 0.204 50 K C 1.820 178.495 176.600 0.125 0.000 1.051 50 K CA 0.724 57.038 56.287 0.045 0.000 0.949 50 K CB 0.130 32.636 32.500 0.010 0.000 0.726 50 K HN 0.017 nan 8.250 nan 0.000 0.443 51 K N 0.806 121.268 120.400 0.104 0.000 2.362 51 K HA -0.068 4.252 4.320 -0.001 0.000 0.200 51 K C 1.687 178.470 176.600 0.306 0.000 1.046 51 K CA 1.167 57.547 56.287 0.156 0.000 0.952 51 K CB 0.249 32.808 32.500 0.099 0.000 0.753 51 K HN 0.121 nan 8.250 nan 0.000 0.466 52 V N -2.912 117.181 119.914 0.298 0.000 3.528 52 V HA 0.148 4.268 4.120 -0.001 0.000 0.294 52 V C 0.196 176.412 176.094 0.203 0.000 1.404 52 V CA -0.322 62.203 62.300 0.374 0.000 1.065 52 V CB 0.683 32.652 31.823 0.244 0.000 0.904 52 V HN -0.129 nan 8.190 nan 0.000 0.435 53 T N 4.665 119.400 114.554 0.303 0.000 2.762 53 T HA 0.716 5.066 4.350 -0.001 0.000 0.303 53 T C -0.755 174.107 174.700 0.270 0.000 0.977 53 T CA 0.042 62.295 62.100 0.254 0.000 0.961 53 T CB -0.055 69.059 68.868 0.411 0.000 0.944 53 T HN 0.644 nan 8.240 nan 0.000 0.481 54 F N 0.046 120.097 119.950 0.168 0.000 2.741 54 F HA 0.667 5.193 4.527 -0.001 0.000 0.313 54 F C -1.130 174.705 175.800 0.058 0.000 1.153 54 F CA -1.806 56.252 58.000 0.097 0.000 0.931 54 F CB 0.914 39.964 39.000 0.082 0.000 1.335 54 F HN 0.187 nan 8.300 nan 0.000 0.460 55 D N 0.715 121.297 120.400 0.304 0.000 2.249 55 D HA 0.512 5.152 4.640 -0.001 0.000 0.246 55 D C -0.756 175.679 176.300 0.225 0.000 1.114 55 D CA -0.198 53.901 54.000 0.164 0.000 0.854 55 D CB 0.865 41.724 40.800 0.097 0.000 1.132 55 D HN 0.491 nan 8.370 nan 0.000 0.461 56 R N 2.306 122.890 120.500 0.139 0.000 2.457 56 R HA 0.691 5.030 4.340 -0.001 0.000 0.284 56 R C -1.012 175.322 176.300 0.056 0.000 1.024 56 R CA -0.616 55.561 56.100 0.129 0.000 1.025 56 R CB 0.701 31.047 30.300 0.076 0.000 1.063 56 R HN 0.353 nan 8.270 nan 0.000 0.493 57 L N 1.484 122.731 121.223 0.039 0.000 2.470 57 L HA 0.395 4.734 4.340 -0.001 0.000 0.268 57 L C -1.122 175.742 176.870 -0.010 0.000 0.964 57 L CA -0.108 54.736 54.840 0.006 0.000 0.839 57 L CB 2.089 44.149 42.059 0.003 0.000 1.276 57 L HN 0.576 nan 8.230 nan 0.000 0.403 58 Q N 2.706 122.491 119.800 -0.026 0.000 2.353 58 Q HA 0.737 5.076 4.340 -0.001 0.000 0.268 58 Q C -1.419 174.549 176.000 -0.054 0.000 1.045 58 Q CA -0.814 54.966 55.803 -0.039 0.000 0.811 58 Q CB 3.323 32.025 28.738 -0.060 0.000 1.305 58 Q HN 0.351 nan 8.270 nan 0.000 0.447 59 V N 4.228 124.112 119.914 -0.050 0.000 2.340 59 V HA 0.288 4.407 4.120 -0.001 0.000 0.277 59 V C -0.688 175.398 176.094 -0.014 0.000 1.017 59 V CA -0.449 61.822 62.300 -0.047 0.000 0.820 59 V CB 0.949 32.738 31.823 -0.057 0.000 1.028 59 V HN 0.631 nan 8.190 nan 0.000 0.436 60 L N 5.285 126.458 121.223 -0.084 0.000 2.268 60 L HA 0.433 4.772 4.340 -0.001 0.000 0.289 60 L C 0.411 177.295 176.870 0.023 0.000 1.064 60 L CA -0.580 54.175 54.840 -0.142 0.000 0.824 60 L CB 0.633 42.409 42.059 -0.471 0.000 1.202 60 L HN 0.658 nan 8.230 nan 0.000 0.433 61 D N 0.461 120.952 120.400 0.152 0.000 2.447 61 D HA 0.049 4.688 4.640 -0.001 0.000 0.265 61 D C 0.514 176.894 176.300 0.134 0.000 1.250 61 D CA -0.591 53.481 54.000 0.120 0.000 1.046 61 D CB 0.871 41.750 40.800 0.132 0.000 1.095 61 D HN 0.248 nan 8.370 nan 0.000 0.555 62 D N -1.629 118.797 120.400 0.042 0.000 2.178 62 D HA -0.140 4.499 4.640 -0.001 0.000 0.202 62 D C 1.720 178.062 176.300 0.069 0.000 0.974 62 D CA 0.992 55.004 54.000 0.020 0.000 0.841 62 D CB -0.212 40.548 40.800 -0.066 0.000 0.953 62 D HN 0.402 nan 8.370 nan 0.000 0.478 63 H N -0.469 118.659 119.070 0.097 0.000 2.422 63 H HA -0.151 4.404 4.556 -0.001 0.000 0.298 63 H C 1.900 177.253 175.328 0.041 0.000 1.098 63 H CA 0.847 56.939 56.048 0.073 0.000 1.315 63 H CB -0.495 29.328 29.762 0.101 0.000 1.382 63 H HN 0.335 nan 8.280 nan 0.000 0.523 64 Y N 1.592 121.927 120.300 0.059 0.000 2.133 64 Y HA -0.176 4.373 4.550 -0.001 0.000 0.287 64 Y C 2.639 178.497 175.900 -0.070 0.000 1.134 64 Y CA 1.549 59.571 58.100 -0.130 0.000 1.133 64 Y CB -0.083 38.255 38.460 -0.204 0.000 0.987 64 Y HN -0.069 nan 8.280 nan 0.000 0.502 65 R N 0.254 120.824 120.500 0.117 0.000 2.115 65 R HA -0.148 4.191 4.340 -0.001 0.000 0.230 65 R C 1.859 178.134 176.300 -0.042 0.000 1.111 65 R CA 1.277 57.389 56.100 0.020 0.000 0.976 65 R CB -0.313 30.050 30.300 0.106 0.000 0.870 65 R HN 0.467 nan 8.270 nan 0.000 0.445 66 D N 0.171 120.574 120.400 0.004 0.000 2.087 66 D HA -0.151 4.488 4.640 -0.001 0.000 0.192 66 D C 1.962 178.244 176.300 -0.030 0.000 0.993 66 D CA 1.364 55.373 54.000 0.014 0.000 0.828 66 D CB -0.170 40.679 40.800 0.083 0.000 0.968 66 D HN -0.023 nan 8.370 nan 0.000 0.448 67 V N 1.404 121.278 119.914 -0.067 0.000 2.287 67 V HA -0.237 3.882 4.120 -0.001 0.000 0.248 67 V C 2.580 178.602 176.094 -0.119 0.000 1.053 67 V CA 1.206 63.455 62.300 -0.086 0.000 1.027 67 V CB -0.509 31.235 31.823 -0.131 0.000 0.646 67 V HN 0.151 nan 8.190 nan 0.000 0.447 68 L N 0.311 121.390 121.223 -0.241 0.000 2.127 68 L HA -0.205 4.134 4.340 -0.001 0.000 0.211 68 L C 2.337 179.141 176.870 -0.110 0.000 1.089 68 L CA 2.186 56.890 54.840 -0.226 0.000 0.757 68 L CB -0.755 41.107 42.059 -0.328 0.000 0.899 68 L HN 0.282 nan 8.230 nan 0.000 0.434 69 K N -0.468 119.886 120.400 -0.077 0.000 2.001 69 K HA -0.193 4.127 4.320 -0.001 0.000 0.208 69 K C 1.983 178.567 176.600 -0.026 0.000 1.048 69 K CA 1.696 57.960 56.287 -0.038 0.000 0.932 69 K CB -0.149 32.339 32.500 -0.020 0.000 0.715 69 K HN 0.443 nan 8.250 nan 0.000 0.437 70 E N 0.384 120.574 120.200 -0.018 0.000 2.065 70 E HA -0.259 4.090 4.350 -0.001 0.000 0.201 70 E C 2.079 178.673 176.600 -0.009 0.000 1.016 70 E CA 2.197 58.596 56.400 -0.002 0.000 0.818 70 E CB -0.133 29.577 29.700 0.017 0.000 0.749 70 E HN 0.341 nan 8.360 nan 0.000 0.453 71 M N 0.351 119.942 119.600 -0.015 0.000 2.108 71 M HA -0.216 4.263 4.480 -0.001 0.000 0.261 71 M C 2.189 178.464 176.300 -0.042 0.000 1.066 71 M CA 1.506 56.785 55.300 -0.035 0.000 1.107 71 M CB -0.227 32.348 32.600 -0.041 0.000 1.356 71 M HN -0.031 nan 8.290 nan 0.000 0.406 72 K N 0.164 120.541 120.400 -0.038 0.000 2.147 72 K HA -0.084 4.235 4.320 -0.001 0.000 0.205 72 K C 2.098 178.688 176.600 -0.018 0.000 1.049 72 K CA 1.254 57.523 56.287 -0.029 0.000 0.936 72 K CB -0.185 32.299 32.500 -0.028 0.000 0.722 72 K HN 0.315 nan 8.250 nan 0.000 0.446 73 A N 1.913 124.723 122.820 -0.016 0.000 1.858 73 A HA -0.190 4.129 4.320 -0.001 0.000 0.216 73 A C 1.858 179.435 177.584 -0.011 0.000 1.190 73 A CA 1.492 53.524 52.037 -0.009 0.000 0.617 73 A CB -0.272 18.725 19.000 -0.005 0.000 0.827 73 A HN 0.165 nan 8.150 nan 0.000 0.443 74 K N -0.285 120.104 120.400 -0.019 0.000 2.147 74 K HA -0.033 4.287 4.320 -0.001 0.000 0.205 74 K C 2.232 178.815 176.600 -0.028 0.000 1.049 74 K CA 0.984 57.256 56.287 -0.025 0.000 0.936 74 K CB -0.305 32.172 32.500 -0.040 0.000 0.722 74 K HN 0.447 nan 8.250 nan 0.000 0.446 75 A N 1.169 123.972 122.820 -0.028 0.000 1.933 75 A HA -0.112 4.207 4.320 -0.001 0.000 0.218 75 A C 2.057 179.640 177.584 -0.001 0.000 1.175 75 A CA 1.502 53.529 52.037 -0.017 0.000 0.628 75 A CB -0.387 18.608 19.000 -0.009 0.000 0.814 75 A HN 0.143 nan 8.150 nan 0.000 0.444 76 S N -0.341 115.358 115.700 -0.001 0.000 2.595 76 S HA -0.065 4.404 4.470 -0.001 0.000 0.235 76 S C 1.743 176.346 174.600 0.005 0.000 0.974 76 S CA 1.417 59.621 58.200 0.006 0.000 0.942 76 S CB -0.462 62.741 63.200 0.005 0.000 0.766 76 S HN 0.901 nan 8.310 nan 0.000 0.536 77 T N -2.029 112.524 114.554 -0.001 0.000 3.022 77 T HA 0.248 4.597 4.350 -0.001 0.000 0.250 77 T C 0.534 175.234 174.700 -0.000 0.000 1.060 77 T CA -0.166 61.934 62.100 -0.001 0.000 1.013 77 T CB -0.107 68.758 68.868 -0.005 0.000 0.982 77 T HN -0.001 nan 8.240 nan 0.000 0.508 78 V N 2.192 122.106 119.914 -0.001 0.000 2.686 78 V HA 0.349 4.468 4.120 -0.001 0.000 0.295 78 V C 0.271 176.370 176.094 0.008 0.000 1.055 78 V CA -0.289 62.010 62.300 -0.001 0.000 1.050 78 V CB 1.161 32.982 31.823 -0.005 0.000 0.984 78 V HN 0.475 nan 8.190 nan 0.000 0.482 79 K N 4.169 124.574 120.400 0.008 0.000 2.753 79 K HA 0.613 4.932 4.320 -0.001 0.000 0.185 79 K C -0.184 176.426 176.600 0.016 0.000 1.071 79 K CA -0.370 55.926 56.287 0.015 0.000 0.999 79 K CB 0.731 33.239 32.500 0.014 0.000 1.244 79 K HN 0.812 nan 8.250 nan 0.000 0.594 80 A N 2.613 125.443 122.820 0.017 0.000 2.407 80 A HA 0.310 4.629 4.320 -0.001 0.000 0.248 80 A C -0.373 177.229 177.584 0.030 0.000 1.082 80 A CA -0.124 51.924 52.037 0.018 0.000 0.785 80 A CB 0.490 19.495 19.000 0.009 0.000 1.020 80 A HN 0.576 nan 8.150 nan 0.000 0.489 81 K N 0.198 120.619 120.400 0.035 0.000 2.156 81 K HA 0.545 4.864 4.320 -0.001 0.000 0.250 81 K C -0.945 175.678 176.600 0.038 0.000 0.955 81 K CA -0.658 55.650 56.287 0.035 0.000 0.855 81 K CB 1.262 33.780 32.500 0.029 0.000 1.101 81 K HN 0.484 nan 8.250 nan 0.000 0.434 82 L N 4.735 125.974 121.223 0.027 0.000 2.312 82 L HA 0.317 4.656 4.340 -0.001 0.000 0.287 82 L C -1.047 175.790 176.870 -0.054 0.000 1.091 82 L CA -0.397 54.447 54.840 0.007 0.000 0.846 82 L CB -0.211 41.864 42.059 0.028 0.000 1.219 82 L HN 0.538 nan 8.230 nan 0.000 0.439 83 L N 3.741 124.921 121.223 -0.071 0.000 2.506 83 L HA 0.150 4.489 4.340 -0.001 0.000 0.281 83 L C 0.982 177.728 176.870 -0.206 0.000 1.228 83 L CA 0.851 55.621 54.840 -0.117 0.000 0.850 83 L CB 0.664 42.650 42.059 -0.122 0.000 1.110 83 L HN 0.904 nan 8.230 nan 0.000 0.496 84 S N 1.716 117.306 115.700 -0.183 0.000 2.671 84 S HA 0.351 4.821 4.470 -0.001 0.000 0.272 84 S C 1.128 175.567 174.600 -0.269 0.000 1.174 84 S CA -0.441 57.634 58.200 -0.209 0.000 1.004 84 S CB 0.821 63.943 63.200 -0.130 0.000 1.077 84 S HN 0.320 nan 8.310 nan 0.000 0.553 85 V N 2.086 121.828 119.914 -0.287 0.000 2.323 85 V HA -0.113 4.006 4.120 -0.001 0.000 0.244 85 V C 2.883 178.829 176.094 -0.247 0.000 1.041 85 V CA 1.948 64.041 62.300 -0.345 0.000 1.025 85 V CB -1.244 30.256 31.823 -0.539 0.000 0.656 85 V HN 0.947 nan 8.190 nan 0.000 0.451 86 E N 0.952 121.041 120.200 -0.185 0.000 2.049 86 E HA -0.314 4.035 4.350 -0.001 0.000 0.198 86 E C 1.929 178.442 176.600 -0.144 0.000 1.007 86 E CA 1.862 58.177 56.400 -0.141 0.000 0.809 86 E CB -0.639 29.001 29.700 -0.099 0.000 0.749 86 E HN 0.715 nan 8.360 nan 0.000 0.450 87 E N 1.468 121.579 120.200 -0.148 0.000 2.049 87 E HA -0.212 4.137 4.350 -0.001 0.000 0.198 87 E C 2.224 178.702 176.600 -0.204 0.000 1.007 87 E CA 1.567 57.871 56.400 -0.161 0.000 0.809 87 E CB -0.330 29.277 29.700 -0.155 0.000 0.749 87 E HN 0.395 nan 8.360 nan 0.000 0.450 88 A N 1.168 123.858 122.820 -0.216 0.000 1.869 88 A HA -0.313 4.007 4.320 -0.001 0.000 0.218 88 A C 2.548 180.024 177.584 -0.181 0.000 1.203 88 A CA 1.956 53.863 52.037 -0.217 0.000 0.638 88 A CB -1.319 17.558 19.000 -0.205 0.000 0.831 88 A HN 0.464 nan 8.150 nan 0.000 0.450 89 C N -0.467 118.739 119.300 -0.157 0.000 2.367 89 C HA -0.166 4.293 4.460 -0.001 0.000 0.276 89 C C 2.378 177.302 174.990 -0.111 0.000 1.195 89 C CA 1.411 60.356 59.018 -0.121 0.000 1.756 89 C CB -1.347 26.319 27.740 -0.123 0.000 2.046 89 C HN 0.615 nan 8.230 nan 0.000 0.453 90 K N 0.480 120.812 120.400 -0.114 0.000 2.640 90 K HA -0.036 4.283 4.320 -0.001 0.000 0.193 90 K C 0.975 177.527 176.600 -0.079 0.000 1.036 90 K CA 0.674 56.910 56.287 -0.085 0.000 0.962 90 K CB -0.253 32.197 32.500 -0.082 0.000 0.791 90 K HN 0.615 nan 8.250 nan 0.000 0.491 91 L N -0.452 120.693 121.223 -0.130 0.000 2.966 91 L HA 0.071 4.411 4.340 -0.001 0.000 0.262 91 L C 0.085 176.899 176.870 -0.092 0.000 1.165 91 L CA -0.111 54.641 54.840 -0.148 0.000 0.978 91 L CB 0.904 42.734 42.059 -0.382 0.000 1.337 91 L HN -0.096 nan 8.230 nan 0.000 0.563 92 T N 2.219 116.723 114.554 -0.084 0.000 2.814 92 T HA 0.183 4.533 4.350 -0.001 0.000 0.297 92 T C -2.392 172.232 174.700 -0.126 0.000 0.956 92 T CA -1.048 61.004 62.100 -0.079 0.000 1.123 92 T CB 0.771 69.603 68.868 -0.060 0.000 0.902 92 T HN -0.173 nan 8.240 nan 0.000 0.528 93 P HA 0.093 nan 4.420 nan 0.000 0.258 93 P C -1.825 175.266 177.300 -0.349 0.000 1.187 93 P CA -1.095 61.866 63.100 -0.232 0.000 0.767 93 P CB 0.176 31.821 31.700 -0.093 0.000 0.770 94 P HA -0.193 nan 4.420 nan 0.000 0.219 94 P C 0.184 177.153 177.300 -0.552 0.000 1.145 94 P CA 1.669 64.416 63.100 -0.588 0.000 0.813 94 P CB -0.157 31.098 31.700 -0.741 0.000 0.771 95 H N -2.744 116.205 119.070 -0.202 0.000 2.475 95 H HA 0.291 4.847 4.556 -0.001 0.000 0.276 95 H C 0.219 175.481 175.328 -0.111 0.000 1.126 95 H CA -0.315 55.657 56.048 -0.126 0.000 1.023 95 H CB 0.132 29.832 29.762 -0.103 0.000 1.669 95 H HN -0.062 nan 8.280 nan 0.000 0.573 96 S N 1.258 116.928 115.700 -0.050 0.000 2.548 96 S HA 0.487 4.956 4.470 -0.001 0.000 0.277 96 S C 0.737 175.319 174.600 -0.030 0.000 1.315 96 S CA -0.556 57.612 58.200 -0.053 0.000 1.050 96 S CB 0.250 63.417 63.200 -0.055 0.000 0.918 96 S HN 0.532 nan 8.310 nan 0.000 0.497 97 A N 4.731 127.526 122.820 -0.042 0.000 2.622 97 A HA 0.091 4.410 4.320 -0.001 0.000 0.235 97 A C 0.646 178.245 177.584 0.026 0.000 1.013 97 A CA 0.562 52.605 52.037 0.009 0.000 0.765 97 A CB -0.340 18.705 19.000 0.075 0.000 0.921 97 A HN 0.931 nan 8.150 nan 0.000 0.506 98 K N 1.934 122.335 120.400 0.001 0.000 2.138 98 K HA 0.456 4.775 4.320 -0.001 0.000 0.251 98 K C 0.267 176.800 176.600 -0.112 0.000 1.015 98 K CA 0.009 56.265 56.287 -0.050 0.000 0.917 98 K CB 0.650 33.114 32.500 -0.061 0.000 1.021 98 K HN 0.455 nan 8.250 nan 0.000 0.485 99 S N 0.240 115.775 115.700 -0.275 0.000 2.565 99 S HA 0.084 4.554 4.470 -0.001 0.000 0.276 99 S C 0.385 174.719 174.600 -0.443 0.000 1.326 99 S CA -0.657 57.295 58.200 -0.414 0.000 1.045 99 S CB 0.534 63.148 63.200 -0.977 0.000 0.918 99 S HN 0.650 nan 8.310 nan 0.000 0.505 100 K N 2.964 123.018 120.400 -0.577 0.000 2.589 100 K HA 0.035 4.354 4.320 -0.001 0.000 0.192 100 K C -0.463 175.623 176.600 -0.856 0.000 1.029 100 K CA 0.654 56.526 56.287 -0.691 0.000 1.031 100 K CB -0.116 31.893 32.500 -0.818 0.000 0.821 100 K HN 0.574 nan 8.250 nan 0.000 0.502 101 F N -0.147 119.592 119.950 -0.351 0.000 2.772 101 F HA 0.267 4.793 4.527 -0.001 0.000 0.302 101 F C 1.254 176.902 175.800 -0.253 0.000 1.136 101 F CA -0.552 57.243 58.000 -0.342 0.000 1.322 101 F CB 0.794 39.445 39.000 -0.581 0.000 0.967 101 F HN 0.104 nan 8.300 nan 0.000 0.513 102 G N 0.185 108.913 108.800 -0.121 0.000 2.176 102 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.253 102 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.253 102 G C -0.127 174.797 174.900 0.039 0.000 0.979 102 G CA 0.307 45.394 45.100 -0.021 0.000 0.641 102 G HN 0.502 nan 8.290 nan 0.000 0.530 103 Y N -0.939 119.369 120.300 0.013 0.000 2.545 103 Y HA 0.821 5.370 4.550 -0.001 0.000 0.348 103 Y C 0.447 176.357 175.900 0.016 0.000 1.002 103 Y CA -1.271 56.839 58.100 0.016 0.000 1.039 103 Y CB 1.067 39.544 38.460 0.029 0.000 1.271 103 Y HN 0.534 nan 8.280 nan 0.000 0.467 104 G N 0.140 109.042 108.800 0.171 0.000 3.016 104 G HA2 0.520 4.479 3.960 -0.001 0.000 0.270 104 G HA3 0.520 4.479 3.960 -0.001 0.000 0.270 104 G C 0.267 175.249 174.900 0.137 0.000 1.352 104 G CA -0.776 44.374 45.100 0.083 0.000 1.060 104 G HN 1.102 nan 8.290 nan 0.000 0.538 105 A N -0.500 122.344 122.820 0.039 0.000 1.933 105 A HA -0.020 4.300 4.320 -0.001 0.000 0.218 105 A C 2.185 179.744 177.584 -0.042 0.000 1.175 105 A CA 2.282 54.315 52.037 -0.007 0.000 0.628 105 A CB -0.488 18.463 19.000 -0.081 0.000 0.814 105 A HN 0.553 nan 8.150 nan 0.000 0.444 106 K N -0.001 120.365 120.400 -0.056 0.000 2.032 106 K HA -0.174 4.145 4.320 -0.001 0.000 0.209 106 K C 1.624 178.208 176.600 -0.028 0.000 1.048 106 K CA 1.864 58.110 56.287 -0.068 0.000 0.927 106 K CB -0.177 32.287 32.500 -0.060 0.000 0.712 106 K HN 0.502 nan 8.250 nan 0.000 0.441 107 D N -0.385 120.030 120.400 0.025 0.000 2.097 107 D HA -0.149 4.490 4.640 -0.001 0.000 0.195 107 D C 1.913 178.206 176.300 -0.012 0.000 0.989 107 D CA 1.558 55.579 54.000 0.035 0.000 0.827 107 D CB -0.089 40.791 40.800 0.133 0.000 0.966 107 D HN 0.037 nan 8.370 nan 0.000 0.456 108 V N 1.482 121.406 119.914 0.017 0.000 2.295 108 V HA -0.238 3.881 4.120 -0.001 0.000 0.246 108 V C 2.507 178.562 176.094 -0.066 0.000 1.049 108 V CA 1.541 63.817 62.300 -0.040 0.000 1.024 108 V CB -0.524 31.318 31.823 0.031 0.000 0.648 108 V HN 0.102 nan 8.190 nan 0.000 0.447 109 R N 0.550 121.012 120.500 -0.064 0.000 2.096 109 R HA -0.162 4.177 4.340 -0.001 0.000 0.240 109 R C 2.128 178.388 176.300 -0.067 0.000 1.139 109 R CA 1.756 57.810 56.100 -0.077 0.000 0.952 109 R CB -0.493 29.748 30.300 -0.099 0.000 0.854 109 R HN 0.495 nan 8.270 nan 0.000 0.436 110 N N 0.585 119.249 118.700 -0.060 0.000 2.512 110 N HA -0.006 4.733 4.740 -0.001 0.000 0.183 110 N C 0.295 175.772 175.510 -0.055 0.000 1.073 110 N CA 0.613 53.632 53.050 -0.051 0.000 0.911 110 N CB 0.194 38.656 38.487 -0.041 0.000 0.964 110 N HN 0.179 nan 8.380 nan 0.000 0.447 111 L N 0.503 121.683 121.223 -0.071 0.000 3.754 111 L HA -0.198 4.141 4.340 -0.001 0.000 0.410 111 L C 0.046 176.872 176.870 -0.073 0.000 1.230 111 L CA -0.147 54.643 54.840 -0.082 0.000 0.901 111 L CB -2.539 39.479 42.059 -0.068 0.000 1.982 111 L HN 0.120 nan 8.230 nan 0.000 0.822 112 S N -0.915 114.742 115.700 -0.072 0.000 2.560 112 S HA 0.229 4.698 4.470 -0.001 0.000 0.284 112 S C 1.533 176.090 174.600 -0.072 0.000 1.327 112 S CA -0.021 58.147 58.200 -0.055 0.000 1.055 112 S CB 1.647 64.825 63.200 -0.036 0.000 0.868 112 S HN 0.508 nan 8.310 nan 0.000 0.506 113 S N 2.795 118.470 115.700 -0.043 0.000 2.420 113 S HA -0.249 4.220 4.470 -0.001 0.000 0.237 113 S C 1.617 176.189 174.600 -0.046 0.000 1.023 113 S CA 1.289 59.469 58.200 -0.034 0.000 0.991 113 S CB -0.577 62.616 63.200 -0.012 0.000 0.792 113 S HN 0.875 nan 8.310 nan 0.000 0.488 114 K N 1.895 122.265 120.400 -0.050 0.000 1.985 114 K HA -0.010 4.310 4.320 -0.001 0.000 0.210 114 K C 2.427 178.909 176.600 -0.197 0.000 1.047 114 K CA 1.250 57.514 56.287 -0.039 0.000 0.932 114 K CB -0.749 31.773 32.500 0.037 0.000 0.716 114 K HN 0.388 nan 8.250 nan 0.000 0.439 115 A N 0.589 123.130 122.820 -0.465 0.000 1.883 115 A HA -0.124 4.195 4.320 -0.001 0.000 0.217 115 A C 2.282 179.554 177.584 -0.520 0.000 1.186 115 A CA 1.814 53.199 52.037 -1.087 0.000 0.624 115 A CB -0.793 17.638 19.000 -0.948 0.000 0.822 115 A HN 0.213 nan 8.150 nan 0.000 0.444 116 V N 1.014 120.758 119.914 -0.284 0.000 2.490 116 V HA -0.257 3.862 4.120 -0.001 0.000 0.250 116 V C 2.322 178.376 176.094 -0.067 0.000 1.061 116 V CA 2.058 64.241 62.300 -0.196 0.000 1.064 116 V CB -0.917 30.843 31.823 -0.105 0.000 0.670 116 V HN 0.560 nan 8.190 nan 0.000 0.461 117 N N -0.599 118.101 118.700 0.001 0.000 2.080 117 N HA -0.176 4.563 4.740 -0.001 0.000 0.189 117 N C 1.907 177.469 175.510 0.085 0.000 1.036 117 N CA 1.669 54.772 53.050 0.089 0.000 0.846 117 N CB -0.542 37.979 38.487 0.058 0.000 1.015 117 N HN 0.654 nan 8.380 nan 0.000 0.423 118 H N 1.247 120.292 119.070 -0.043 0.000 2.319 118 H HA -0.044 4.511 4.556 -0.001 0.000 0.299 118 H C 2.139 177.463 175.328 -0.006 0.000 1.092 118 H CA 1.346 57.383 56.048 -0.018 0.000 1.302 118 H CB -0.074 29.740 29.762 0.087 0.000 1.373 118 H HN 0.128 nan 8.280 nan 0.000 0.497 119 I N 0.231 120.684 120.570 -0.195 0.000 2.208 119 I HA -0.305 3.864 4.170 -0.001 0.000 0.245 119 I C 2.411 178.458 176.117 -0.117 0.000 1.097 119 I CA 1.575 62.743 61.300 -0.218 0.000 1.363 119 I CB -0.551 37.326 38.000 -0.205 0.000 1.051 119 I HN 0.361 nan 8.210 nan 0.000 0.413 120 H N -0.017 119.010 119.070 -0.072 0.000 2.422 120 H HA -0.154 4.402 4.556 -0.001 0.000 0.298 120 H C 2.448 177.790 175.328 0.022 0.000 1.098 120 H CA 1.630 57.670 56.048 -0.013 0.000 1.315 120 H CB 0.127 29.871 29.762 -0.031 0.000 1.382 120 H HN 0.392 nan 8.280 nan 0.000 0.523 121 S N -0.644 115.099 115.700 0.071 0.000 2.478 121 S HA -0.030 4.439 4.470 -0.001 0.000 0.222 121 S C 2.091 176.653 174.600 -0.063 0.000 1.008 121 S CA 0.541 58.744 58.200 0.005 0.000 0.928 121 S CB -0.148 63.041 63.200 -0.019 0.000 0.781 121 S HN 0.119 nan 8.310 nan 0.000 0.518 122 V N 0.879 120.703 119.914 -0.149 0.000 2.407 122 V HA -0.036 4.084 4.120 -0.001 0.000 0.245 122 V C 2.183 178.276 176.094 -0.001 0.000 1.041 122 V CA 1.477 63.686 62.300 -0.152 0.000 1.040 122 V CB -0.888 30.779 31.823 -0.261 0.000 0.671 122 V HN 0.732 nan 8.190 nan 0.000 0.455 123 W N 1.577 122.812 121.300 -0.108 0.000 2.342 123 W HA -0.259 4.400 4.660 -0.001 0.000 0.297 123 W C 2.413 178.909 176.519 -0.038 0.000 1.213 123 W CA 2.307 59.617 57.345 -0.058 0.000 1.251 123 W CB -0.034 29.404 29.460 -0.036 0.000 1.136 123 W HN 0.257 nan 8.180 nan 0.000 0.526 124 K N 0.639 121.068 120.400 0.048 0.000 2.097 124 K HA -0.237 4.082 4.320 -0.001 0.000 0.206 124 K C 1.956 178.478 176.600 -0.130 0.000 1.049 124 K CA 1.955 58.214 56.287 -0.048 0.000 0.933 124 K CB -0.803 31.713 32.500 0.026 0.000 0.717 124 K HN -0.049 nan 8.250 nan 0.000 0.442 125 D N 0.559 120.895 120.400 -0.107 0.000 2.218 125 D HA -0.155 4.484 4.640 -0.001 0.000 0.204 125 D C 1.758 177.962 176.300 -0.160 0.000 0.976 125 D CA 0.861 54.795 54.000 -0.109 0.000 0.853 125 D CB 0.186 40.935 40.800 -0.084 0.000 0.939 125 D HN 0.306 nan 8.370 nan 0.000 0.481 126 L N 0.106 121.179 121.223 -0.251 0.000 2.179 126 L HA -0.054 4.285 4.340 -0.001 0.000 0.208 126 L C 2.575 179.241 176.870 -0.340 0.000 1.096 126 L CA 0.310 54.956 54.840 -0.323 0.000 0.779 126 L CB -0.171 41.598 42.059 -0.484 0.000 0.922 126 L HN 0.055 nan 8.230 nan 0.000 0.443 127 L N -0.591 120.410 121.223 -0.369 0.000 2.240 127 L HA -0.074 4.265 4.340 -0.001 0.000 0.211 127 L C 1.615 178.391 176.870 -0.157 0.000 1.106 127 L CA 0.974 55.650 54.840 -0.274 0.000 0.793 127 L CB -0.109 41.797 42.059 -0.256 0.000 0.927 127 L HN 0.316 nan 8.230 nan 0.000 0.446 128 E N -1.392 118.729 120.200 -0.132 0.000 2.526 128 E HA 0.060 4.409 4.350 -0.001 0.000 0.208 128 E C -0.271 176.284 176.600 -0.077 0.000 0.997 128 E CA -0.069 56.279 56.400 -0.086 0.000 0.961 128 E CB 0.753 30.414 29.700 -0.065 0.000 1.030 128 E HN 0.099 nan 8.360 nan 0.000 0.483 129 D N 1.174 121.518 120.400 -0.093 0.000 2.476 129 D HA 0.043 4.682 4.640 -0.001 0.000 0.251 129 D C -0.268 175.981 176.300 -0.086 0.000 1.291 129 D CA -0.281 53.673 54.000 -0.076 0.000 0.939 129 D CB 1.375 42.134 40.800 -0.068 0.000 1.221 129 D HN -0.016 nan 8.370 nan 0.000 0.567 130 T N 0.648 115.160 114.554 -0.070 0.000 3.269 130 T HA 0.356 4.705 4.350 -0.001 0.000 0.269 130 T C 0.836 175.505 174.700 -0.050 0.000 0.993 130 T CA -0.171 61.888 62.100 -0.069 0.000 0.909 130 T CB -0.066 68.764 68.868 -0.062 0.000 1.115 130 T HN 0.129 nan 8.240 nan 0.000 0.543 131 V N -2.219 117.669 119.914 -0.043 0.000 3.154 131 V HA 0.232 4.352 4.120 -0.001 0.000 0.221 131 V C 0.833 176.917 176.094 -0.018 0.000 1.504 131 V CA -0.233 62.051 62.300 -0.027 0.000 1.243 131 V CB -0.576 31.234 31.823 -0.021 0.000 1.115 131 V HN 0.427 nan 8.190 nan 0.000 0.481 132 T N 4.601 119.143 114.554 -0.020 0.000 2.822 132 T HA 0.183 4.532 4.350 -0.001 0.000 0.288 132 T C -2.326 172.368 174.700 -0.010 0.000 0.991 132 T CA 0.183 62.277 62.100 -0.009 0.000 1.176 132 T CB 0.418 69.279 68.868 -0.012 0.000 0.951 132 T HN 0.241 nan 8.240 nan 0.000 0.526 133 P HA 0.232 nan 4.420 nan 0.000 0.271 133 P C -0.223 177.066 177.300 -0.019 0.000 1.218 133 P CA -0.283 62.816 63.100 -0.001 0.000 0.780 133 P CB 0.464 32.187 31.700 0.038 0.000 0.901 134 I N 1.944 122.489 120.570 -0.041 0.000 2.353 134 I HA 0.195 4.364 4.170 -0.001 0.000 0.293 134 I C 0.824 176.915 176.117 -0.043 0.000 0.992 134 I CA -0.575 60.707 61.300 -0.030 0.000 1.268 134 I CB 1.022 38.999 38.000 -0.037 0.000 1.387 134 I HN 0.331 nan 8.210 nan 0.000 0.478 135 D N 4.567 124.952 120.400 -0.025 0.000 2.368 135 D HA 0.265 4.904 4.640 -0.001 0.000 0.240 135 D C -0.252 175.996 176.300 -0.086 0.000 1.169 135 D CA 0.294 54.262 54.000 -0.053 0.000 0.906 135 D CB 0.898 41.678 40.800 -0.033 0.000 1.187 135 D HN 0.659 nan 8.370 nan 0.000 0.435 136 T N -1.575 112.903 114.554 -0.127 0.000 2.841 136 T HA 0.633 4.982 4.350 -0.001 0.000 0.296 136 T C -0.646 173.898 174.700 -0.261 0.000 1.166 136 T CA -0.976 61.007 62.100 -0.196 0.000 1.007 136 T CB 1.449 70.237 68.868 -0.134 0.000 1.253 136 T HN 0.253 nan 8.240 nan 0.000 0.511 137 T N 1.580 115.850 114.554 -0.474 0.000 2.829 137 T HA 0.645 4.994 4.350 -0.001 0.000 0.280 137 T C -0.793 173.792 174.700 -0.191 0.000 0.999 137 T CA -0.634 61.206 62.100 -0.432 0.000 0.983 137 T CB 0.941 69.340 68.868 -0.782 0.000 0.968 137 T HN 0.748 nan 8.240 nan 0.000 0.446 138 I N 4.295 124.861 120.570 -0.007 0.000 2.411 138 I HA 0.532 4.701 4.170 -0.001 0.000 0.284 138 I C -1.023 175.168 176.117 0.124 0.000 1.012 138 I CA -0.798 60.568 61.300 0.110 0.000 1.119 138 I CB 0.511 38.592 38.000 0.136 0.000 1.261 138 I HN 0.517 nan 8.210 nan 0.000 0.448 139 M N 6.193 125.898 119.600 0.176 0.000 2.591 139 M HA 0.576 5.055 4.480 -0.001 0.000 0.306 139 M C -0.336 176.021 176.300 0.094 0.000 1.190 139 M CA -0.776 54.602 55.300 0.130 0.000 0.889 139 M CB 2.162 34.861 32.600 0.166 0.000 1.728 139 M HN 0.601 nan 8.290 nan 0.000 0.458 140 A N 2.191 125.044 122.820 0.054 0.000 2.331 140 A HA 0.448 4.767 4.320 -0.001 0.000 0.283 140 A C -0.318 177.284 177.584 0.031 0.000 1.142 140 A CA -0.450 51.608 52.037 0.037 0.000 0.812 140 A CB 0.357 19.367 19.000 0.018 0.000 1.074 140 A HN 0.791 nan 8.150 nan 0.000 0.497 141 K N 1.535 121.954 120.400 0.031 0.000 2.185 141 K HA 0.159 4.478 4.320 -0.001 0.000 0.271 141 K C -0.758 175.829 176.600 -0.021 0.000 1.013 141 K CA -0.015 56.274 56.287 0.004 0.000 0.943 141 K CB 0.630 33.140 32.500 0.017 0.000 0.998 141 K HN 0.757 nan 8.250 nan 0.000 0.468 142 N N 2.523 121.178 118.700 -0.076 0.000 2.546 142 N HA 0.126 4.866 4.740 -0.001 0.000 0.238 142 N C -1.343 174.008 175.510 -0.265 0.000 0.984 142 N CA -0.353 52.609 53.050 -0.146 0.000 0.935 142 N CB 1.097 39.497 38.487 -0.146 0.000 1.122 142 N HN 0.379 nan 8.380 nan 0.000 0.510 143 E N 0.819 120.823 120.200 -0.327 0.000 2.288 143 E HA 0.444 4.793 4.350 -0.001 0.000 0.268 143 E C -0.803 175.261 176.600 -0.893 0.000 0.885 143 E CA -1.014 55.039 56.400 -0.579 0.000 0.767 143 E CB 2.397 31.777 29.700 -0.534 0.000 1.220 143 E HN 0.092 nan 8.360 nan 0.000 0.427 144 V N 2.592 121.895 119.914 -1.018 0.000 2.567 144 V HA 0.497 4.616 4.120 -0.001 0.000 0.289 144 V C -0.583 174.846 176.094 -1.109 0.000 1.049 144 V CA -0.217 61.519 62.300 -0.940 0.000 0.969 144 V CB 0.125 31.561 31.823 -0.646 0.000 0.995 144 V HN 0.520 nan 8.190 nan 0.000 0.471 145 F N 1.162 120.801 119.950 -0.520 0.000 2.715 145 F HA 0.613 5.139 4.527 -0.001 0.000 0.318 145 F C -0.009 175.736 175.800 -0.091 0.000 1.141 145 F CA -0.783 57.035 58.000 -0.303 0.000 0.950 145 F CB 1.262 40.088 39.000 -0.290 0.000 1.374 145 F HN 0.603 nan 8.300 nan 0.000 0.477 146 C N 2.105 121.599 119.300 0.323 0.000 2.365 146 C HA 0.867 5.326 4.460 -0.001 0.000 0.349 146 C C -0.067 175.149 174.990 0.376 0.000 1.191 146 C CA -0.547 58.652 59.018 0.302 0.000 2.114 146 C CB 0.465 28.314 27.740 0.181 0.000 2.367 146 C HN 0.702 nan 8.230 nan 0.000 0.530 147 V N 3.780 123.874 119.914 0.300 0.000 3.133 147 V HA 0.585 4.704 4.120 -0.001 0.000 0.305 147 V C -0.094 176.057 176.094 0.096 0.000 1.084 147 V CA -0.062 62.341 62.300 0.171 0.000 1.089 147 V CB 0.710 32.577 31.823 0.072 0.000 1.073 147 V HN 1.315 nan 8.190 nan 0.000 0.477 155 K N 2.274 122.721 120.400 0.078 0.000 2.138 155 K HA 0.539 4.859 4.320 -0.001 0.000 0.263 155 K C -2.315 174.327 176.600 0.070 0.000 0.965 155 K CA -1.754 54.529 56.287 -0.007 0.000 0.868 155 K CB 1.665 34.053 32.500 -0.186 0.000 1.083 155 K HN 0.158 nan 8.250 nan 0.000 0.443 156 P HA -0.000 nan 4.420 nan 0.000 0.271 156 P C -0.443 176.900 177.300 0.071 0.000 1.216 156 P CA -0.289 62.842 63.100 0.051 0.000 0.776 156 P CB 0.903 32.610 31.700 0.013 0.000 0.881 157 A N 4.519 127.390 122.820 0.084 0.000 2.565 157 A HA 0.028 4.347 4.320 -0.001 0.000 0.237 157 A C 0.797 178.421 177.584 0.066 0.000 1.053 157 A CA 0.072 52.163 52.037 0.089 0.000 0.755 157 A CB -0.292 18.745 19.000 0.061 0.000 0.980 157 A HN 0.503 nan 8.150 nan 0.000 0.506 158 R N 0.256 120.809 120.500 0.088 0.000 2.649 158 R HA 0.407 4.746 4.340 -0.001 0.000 0.270 158 R C -1.101 175.242 176.300 0.071 0.000 1.105 158 R CA -0.596 55.554 56.100 0.084 0.000 1.193 158 R CB 0.204 30.568 30.300 0.107 0.000 1.120 158 R HN 0.490 nan 8.270 nan 0.000 0.561 159 L N 1.980 123.254 121.223 0.085 0.000 2.305 159 L HA 0.364 4.703 4.340 -0.001 0.000 0.284 159 L C -0.545 176.408 176.870 0.137 0.000 1.013 159 L CA -0.423 54.475 54.840 0.096 0.000 0.819 159 L CB 1.338 43.445 42.059 0.079 0.000 1.227 159 L HN 0.438 nan 8.230 nan 0.000 0.417 160 I N 4.587 125.246 120.570 0.148 0.000 2.321 160 I HA 0.536 4.705 4.170 -0.001 0.000 0.291 160 I C -0.759 175.535 176.117 0.294 0.000 0.998 160 I CA -0.224 61.189 61.300 0.188 0.000 1.227 160 I CB 1.333 39.408 38.000 0.125 0.000 1.368 160 I HN 0.247 nan 8.210 nan 0.000 0.466 161 V N 9.068 129.163 119.914 0.302 0.000 2.444 161 V HA 0.578 4.697 4.120 -0.001 0.000 0.294 161 V C -0.687 175.624 176.094 0.362 0.000 1.022 161 V CA -0.557 61.913 62.300 0.283 0.000 0.850 161 V CB 0.898 32.840 31.823 0.198 0.000 0.992 161 V HN 0.584 nan 8.190 nan 0.000 0.426 162 F N 4.675 124.667 119.950 0.070 0.000 2.619 162 F HA 0.934 5.461 4.527 -0.001 0.000 0.308 162 F C -3.109 172.729 175.800 0.063 0.000 1.097 162 F CA -2.962 55.081 58.000 0.071 0.000 0.953 162 F CB 1.695 40.732 39.000 0.061 0.000 1.287 162 F HN 0.306 nan 8.300 nan 0.000 0.446 163 P HA 0.158 nan 4.420 nan 0.000 0.278 163 P C -0.923 176.428 177.300 0.085 0.000 1.258 163 P CA -0.144 62.971 63.100 0.025 0.000 0.811 163 P CB 1.388 33.146 31.700 0.096 0.000 1.063 164 D N 0.126 120.564 120.400 0.063 0.000 2.419 164 D HA -0.105 4.534 4.640 -0.001 0.000 0.236 164 D C 1.385 177.815 176.300 0.216 0.000 1.165 164 D CA -0.263 53.813 54.000 0.126 0.000 0.882 164 D CB 0.297 41.207 40.800 0.182 0.000 1.201 164 D HN 0.108 nan 8.370 nan 0.000 0.443 165 L N 3.960 125.306 121.223 0.205 0.000 2.034 165 L HA -0.103 4.237 4.340 -0.001 0.000 0.217 165 L C 2.125 179.164 176.870 0.282 0.000 1.077 165 L CA 2.756 57.726 54.840 0.215 0.000 0.769 165 L CB -1.290 40.863 42.059 0.156 0.000 0.890 165 L HN 0.708 nan 8.230 nan 0.000 0.435 166 G N -1.498 107.549 108.800 0.411 0.000 2.442 166 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.219 166 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.219 166 G C 1.530 176.556 174.900 0.210 0.000 1.141 166 G CA 1.144 46.492 45.100 0.414 0.000 0.763 166 G HN 0.396 nan 8.290 nan 0.000 0.554 167 V N 0.421 120.462 119.914 0.211 0.000 2.453 167 V HA -0.095 4.024 4.120 -0.001 0.000 0.247 167 V C 2.872 179.064 176.094 0.163 0.000 1.048 167 V CA 1.631 64.025 62.300 0.157 0.000 1.049 167 V CB -0.424 31.482 31.823 0.138 0.000 0.672 167 V HN 0.306 nan 8.190 nan 0.000 0.457 168 R N -0.254 120.351 120.500 0.176 0.000 2.091 168 R HA -0.134 4.205 4.340 -0.001 0.000 0.238 168 R C 2.259 178.632 176.300 0.122 0.000 1.136 168 R CA 1.457 57.654 56.100 0.161 0.000 0.959 168 R CB -0.600 29.796 30.300 0.159 0.000 0.856 168 R HN 0.399 nan 8.270 nan 0.000 0.437 169 V N 0.285 120.262 119.914 0.105 0.000 2.343 169 V HA -0.311 3.809 4.120 -0.001 0.000 0.247 169 V C 2.510 178.626 176.094 0.036 0.000 1.051 169 V CA 1.524 63.847 62.300 0.038 0.000 1.036 169 V CB -0.396 31.436 31.823 0.014 0.000 0.654 169 V HN 0.476 nan 8.190 nan 0.000 0.451 170 C N -0.068 119.297 119.300 0.107 0.000 2.413 170 C HA -0.176 4.284 4.460 -0.001 0.000 0.276 170 C C 2.706 177.853 174.990 0.261 0.000 1.236 170 C CA 1.280 60.430 59.018 0.220 0.000 1.735 170 C CB -1.021 26.923 27.740 0.341 0.000 2.031 170 C HN 0.628 nan 8.230 nan 0.000 0.474 171 E N 0.406 120.739 120.200 0.223 0.000 2.114 171 E HA -0.269 4.080 4.350 -0.001 0.000 0.199 171 E C 2.140 178.861 176.600 0.201 0.000 1.008 171 E CA 1.390 57.935 56.400 0.242 0.000 0.810 171 E CB -0.209 29.640 29.700 0.249 0.000 0.739 171 E HN 0.666 nan 8.360 nan 0.000 0.456 172 K N 0.383 120.864 120.400 0.135 0.000 2.002 172 K HA -0.105 4.214 4.320 -0.001 0.000 0.209 172 K C 2.273 178.913 176.600 0.068 0.000 1.048 172 K CA 1.339 57.698 56.287 0.121 0.000 0.930 172 K CB -0.209 32.298 32.500 0.012 0.000 0.714 172 K HN 0.101 nan 8.250 nan 0.000 0.438 173 M N 0.431 119.993 119.600 -0.063 0.000 2.116 173 M HA -0.267 4.212 4.480 -0.001 0.000 0.255 173 M C 2.324 178.583 176.300 -0.068 0.000 1.075 173 M CA 2.027 57.190 55.300 -0.228 0.000 1.087 173 M CB -0.348 31.837 32.600 -0.690 0.000 1.340 173 M HN 0.292 nan 8.290 nan 0.000 0.402 174 A N -1.012 121.902 122.820 0.156 0.000 1.956 174 A HA 0.132 4.451 4.320 -0.001 0.000 0.212 174 A C 1.784 179.464 177.584 0.159 0.000 1.188 174 A CA 0.750 52.965 52.037 0.297 0.000 0.675 174 A CB -0.032 19.265 19.000 0.495 0.000 0.845 174 A HN 0.486 nan 8.150 nan 0.000 0.455 175 L N -2.997 118.307 121.223 0.135 0.000 2.878 175 L HA 0.176 4.515 4.340 -0.001 0.000 0.253 175 L C 1.993 178.884 176.870 0.034 0.000 1.135 175 L CA 0.075 54.937 54.840 0.037 0.000 0.943 175 L CB -0.214 41.849 42.059 0.007 0.000 1.307 175 L HN 0.419 nan 8.230 nan 0.000 0.545 176 Y N 2.054 122.351 120.300 -0.005 0.000 2.040 176 Y HA -0.406 4.143 4.550 -0.001 0.000 0.275 176 Y C 2.251 178.160 175.900 0.016 0.000 1.171 176 Y CA 2.470 60.566 58.100 -0.008 0.000 1.123 176 Y CB -0.113 38.321 38.460 -0.043 0.000 0.963 176 Y HN 0.242 nan 8.280 nan 0.000 0.493 177 D N -0.874 119.570 120.400 0.074 0.000 2.263 177 D HA -0.140 4.499 4.640 -0.001 0.000 0.208 177 D C 1.977 178.236 176.300 -0.067 0.000 0.971 177 D CA 1.258 55.260 54.000 0.003 0.000 0.867 177 D CB -0.070 40.782 40.800 0.085 0.000 0.929 177 D HN 0.282 nan 8.370 nan 0.000 0.492 178 V N 0.221 120.085 119.914 -0.084 0.000 2.255 178 V HA -0.201 3.919 4.120 -0.001 0.000 0.243 178 V C 2.726 178.725 176.094 -0.158 0.000 1.038 178 V CA 1.576 63.801 62.300 -0.124 0.000 1.008 178 V CB -0.896 30.805 31.823 -0.203 0.000 0.645 178 V HN 0.259 nan 8.190 nan 0.000 0.449 179 V N -1.165 118.636 119.914 -0.188 0.000 2.688 179 V HA -0.191 3.928 4.120 -0.001 0.000 0.256 179 V C 2.161 178.181 176.094 -0.125 0.000 1.084 179 V CA 2.176 64.383 62.300 -0.155 0.000 1.103 179 V CB -1.188 30.577 31.823 -0.097 0.000 0.688 179 V HN 0.478 nan 8.190 nan 0.000 0.480 180 S N 0.269 115.889 115.700 -0.133 0.000 2.406 180 S HA -0.061 4.408 4.470 -0.001 0.000 0.224 180 S C 1.943 176.520 174.600 -0.038 0.000 1.030 180 S CA 1.534 59.690 58.200 -0.074 0.000 0.958 180 S CB -0.161 62.965 63.200 -0.123 0.000 0.811 180 S HN 0.764 nan 8.310 nan 0.000 0.489 181 T N 2.741 117.256 114.554 -0.064 0.000 2.914 181 T HA 0.186 4.535 4.350 -0.001 0.000 0.240 181 T C 1.830 176.476 174.700 -0.090 0.000 1.025 181 T CA 0.475 62.544 62.100 -0.051 0.000 1.198 181 T CB -0.735 68.111 68.868 -0.036 0.000 0.892 181 T HN 0.179 nan 8.240 nan 0.000 0.417 182 L N 2.149 123.313 121.223 -0.098 0.000 2.058 182 L HA -0.199 4.140 4.340 -0.001 0.000 0.226 182 L C -0.927 175.816 176.870 -0.212 0.000 1.089 182 L CA 2.217 56.991 54.840 -0.111 0.000 0.799 182 L CB -1.127 40.899 42.059 -0.055 0.000 0.900 182 L HN 0.196 nan 8.230 nan 0.000 0.442 183 P HA -0.260 nan 4.420 nan 0.000 0.215 183 P C 1.386 178.337 177.300 -0.582 0.000 1.163 183 P CA 1.678 64.350 63.100 -0.713 0.000 0.894 183 P CB -0.209 30.665 31.700 -1.376 0.000 0.791 184 Q N -0.020 119.596 119.800 -0.306 0.000 2.030 184 Q HA -0.138 4.202 4.340 -0.001 0.000 0.204 184 Q C 2.048 177.980 176.000 -0.113 0.000 0.986 184 Q CA 1.840 57.604 55.803 -0.066 0.000 0.843 184 Q CB -1.053 27.700 28.738 0.025 0.000 0.904 184 Q HN 0.066 nan 8.270 nan 0.000 0.420 185 V N 0.263 120.109 119.914 -0.114 0.000 2.343 185 V HA -0.228 3.891 4.120 -0.001 0.000 0.247 185 V C 2.612 178.635 176.094 -0.117 0.000 1.051 185 V CA 1.629 63.874 62.300 -0.091 0.000 1.036 185 V CB -0.644 31.137 31.823 -0.070 0.000 0.654 185 V HN 0.138 nan 8.190 nan 0.000 0.451 186 V N -0.671 119.138 119.914 -0.174 0.000 2.323 186 V HA -0.189 3.931 4.120 -0.001 0.000 0.244 186 V C 2.071 177.982 176.094 -0.305 0.000 1.041 186 V CA 2.225 64.401 62.300 -0.208 0.000 1.025 186 V CB -0.464 31.220 31.823 -0.231 0.000 0.656 186 V HN 0.470 nan 8.190 nan 0.000 0.451 187 M N -0.906 118.450 119.600 -0.407 0.000 2.371 187 M HA 0.393 4.872 4.480 -0.001 0.000 0.246 187 M C 1.319 177.501 176.300 -0.196 0.000 1.103 187 M CA 0.728 55.706 55.300 -0.536 0.000 1.010 187 M CB 0.337 32.502 32.600 -0.725 0.000 1.457 187 M HN 0.455 nan 8.290 nan 0.000 0.486 188 G N 1.367 110.091 108.800 -0.127 0.000 2.574 188 G HA2 -0.385 3.574 3.960 -0.001 0.000 0.282 188 G HA3 -0.385 3.574 3.960 -0.001 0.000 0.282 188 G C 0.853 175.718 174.900 -0.057 0.000 1.257 188 G CA 0.673 45.741 45.100 -0.054 0.000 0.956 188 G HN 0.514 nan 8.290 nan 0.000 0.560 189 S N -0.965 114.708 115.700 -0.045 0.000 2.407 189 S HA -0.148 4.322 4.470 -0.001 0.000 0.235 189 S C 2.319 176.802 174.600 -0.195 0.000 1.036 189 S CA 2.456 60.554 58.200 -0.171 0.000 1.013 189 S CB -0.588 62.550 63.200 -0.103 0.000 0.820 189 S HN 1.392 nan 8.310 nan 0.000 0.476 190 S N 0.375 116.125 115.700 0.082 0.000 2.493 190 S HA -0.021 4.449 4.470 -0.001 0.000 0.243 190 S C 0.390 175.081 174.600 0.152 0.000 0.991 190 S CA 0.498 58.842 58.200 0.238 0.000 0.957 190 S CB -0.578 62.838 63.200 0.360 0.000 0.756 190 S HN 0.698 nan 8.310 nan 0.000 0.521 191 Y N 2.792 122.988 120.300 -0.173 0.000 2.531 191 Y HA 0.456 5.005 4.550 -0.001 0.000 0.347 191 Y C 1.203 176.900 175.900 -0.337 0.000 1.024 191 Y CA -1.710 56.252 58.100 -0.230 0.000 1.306 191 Y CB 0.003 38.318 38.460 -0.242 0.000 1.149 191 Y HN 0.017 nan 8.280 nan 0.000 0.527 192 G N 4.626 113.165 108.800 -0.436 0.000 2.534 192 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.217 192 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.217 192 G C 0.715 175.136 174.900 -0.799 0.000 1.128 192 G CA 0.090 44.867 45.100 -0.538 0.000 0.784 192 G HN 0.578 nan 8.290 nan 0.000 0.542 193 F N 0.753 120.103 119.950 -1.001 0.000 2.676 193 F HA 0.190 4.717 4.527 -0.001 0.000 0.300 193 F C 2.256 177.780 175.800 -0.459 0.000 1.160 193 F CA -0.098 57.503 58.000 -0.665 0.000 1.401 193 F CB 0.189 38.825 39.000 -0.605 0.000 1.037 193 F HN 0.394 nan 8.300 nan 0.000 0.522 194 Q N -1.798 117.706 119.800 -0.494 0.000 2.246 194 Q HA 0.109 4.448 4.340 -0.001 0.000 0.222 194 Q C -0.680 175.215 176.000 -0.175 0.000 0.851 194 Q CA 0.149 55.764 55.803 -0.314 0.000 0.945 194 Q CB 0.079 28.526 28.738 -0.486 0.000 1.122 194 Q HN 0.216 nan 8.270 nan 0.000 0.508 195 Y N 2.170 122.464 120.300 -0.010 0.000 2.334 195 Y HA 0.397 4.946 4.550 -0.001 0.000 0.328 195 Y C 0.595 176.444 175.900 -0.085 0.000 1.130 195 Y CA -1.364 56.713 58.100 -0.039 0.000 1.163 195 Y CB 1.533 39.941 38.460 -0.087 0.000 1.207 195 Y HN 0.108 nan 8.280 nan 0.000 0.471 196 S N 2.214 117.853 115.700 -0.101 0.000 2.632 196 S HA 0.315 4.784 4.470 -0.001 0.000 0.267 196 S C -2.051 172.387 174.600 -0.270 0.000 1.276 196 S CA -1.229 56.583 58.200 -0.647 0.000 0.998 196 S CB 1.481 64.372 63.200 -0.514 0.000 0.953 196 S HN 0.398 nan 8.310 nan 0.000 0.547 197 P HA -0.091 nan 4.420 nan 0.000 0.218 197 P C 1.649 178.979 177.300 0.051 0.000 1.154 197 P CA 1.948 65.050 63.100 0.003 0.000 0.872 197 P CB -0.465 31.314 31.700 0.132 0.000 0.790 198 G N -0.455 108.380 108.800 0.058 0.000 2.414 198 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.215 198 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.215 198 G C 1.454 176.353 174.900 -0.001 0.000 1.188 198 G CA 0.535 45.674 45.100 0.066 0.000 0.783 198 G HN 0.313 nan 8.290 nan 0.000 0.537 199 Q N -0.296 119.487 119.800 -0.029 0.000 2.226 199 Q HA -0.051 4.288 4.340 -0.001 0.000 0.204 199 Q C 2.541 178.390 176.000 -0.251 0.000 0.975 199 Q CA 0.901 56.661 55.803 -0.070 0.000 0.866 199 Q CB -0.154 28.613 28.738 0.049 0.000 0.915 199 Q HN 0.449 nan 8.270 nan 0.000 0.440 200 R N 0.604 121.009 120.500 -0.158 0.000 2.066 200 R HA -0.128 4.212 4.340 -0.001 0.000 0.232 200 R C 2.087 178.311 176.300 -0.126 0.000 1.131 200 R CA 1.324 57.316 56.100 -0.180 0.000 0.955 200 R CB -0.079 30.222 30.300 0.002 0.000 0.851 200 R HN 0.119 nan 8.270 nan 0.000 0.432 201 V N 1.241 121.112 119.914 -0.072 0.000 2.343 201 V HA -0.215 3.904 4.120 -0.001 0.000 0.247 201 V C 2.333 178.364 176.094 -0.105 0.000 1.051 201 V CA 2.190 64.444 62.300 -0.076 0.000 1.036 201 V CB -0.581 31.235 31.823 -0.011 0.000 0.654 201 V HN 0.487 nan 8.190 nan 0.000 0.451 202 E N -0.361 119.795 120.200 -0.074 0.000 2.107 202 E HA -0.229 4.120 4.350 -0.001 0.000 0.191 202 E C 2.092 178.657 176.600 -0.058 0.000 0.982 202 E CA 1.117 57.482 56.400 -0.058 0.000 0.809 202 E CB -0.154 29.534 29.700 -0.019 0.000 0.756 202 E HN 0.525 nan 8.360 nan 0.000 0.459 203 F N 1.559 121.326 119.950 -0.305 0.000 2.102 203 F HA -0.137 4.389 4.527 -0.001 0.000 0.298 203 F C 1.794 177.476 175.800 -0.197 0.000 1.105 203 F CA 1.375 59.179 58.000 -0.325 0.000 1.239 203 F CB -0.363 38.227 39.000 -0.682 0.000 0.991 203 F HN 0.005 nan 8.300 nan 0.000 0.474 204 L N -0.848 120.187 121.223 -0.314 0.000 2.141 204 L HA -0.186 4.154 4.340 -0.001 0.000 0.209 204 L C 2.331 179.051 176.870 -0.249 0.000 1.094 204 L CA 0.861 55.492 54.840 -0.350 0.000 0.763 204 L CB -0.933 40.983 42.059 -0.239 0.000 0.908 204 L HN 0.026 nan 8.230 nan 0.000 0.437 205 V N 0.041 119.808 119.914 -0.245 0.000 2.283 205 V HA -0.224 3.896 4.120 -0.001 0.000 0.243 205 V C 2.256 178.286 176.094 -0.107 0.000 1.039 205 V CA 1.724 63.879 62.300 -0.241 0.000 1.016 205 V CB -0.652 30.951 31.823 -0.368 0.000 0.650 205 V HN 0.469 nan 8.190 nan 0.000 0.449 206 N N 0.415 119.053 118.700 -0.105 0.000 2.061 206 N HA -0.170 4.569 4.740 -0.001 0.000 0.193 206 N C 1.872 177.333 175.510 -0.081 0.000 1.030 206 N CA 2.150 55.166 53.050 -0.057 0.000 0.856 206 N CB -0.731 37.748 38.487 -0.013 0.000 1.023 206 N HN 0.455 nan 8.380 nan 0.000 0.424 207 T N 0.395 114.836 114.554 -0.188 0.000 2.881 207 T HA -0.138 4.211 4.350 -0.001 0.000 0.270 207 T C 1.407 176.035 174.700 -0.121 0.000 1.068 207 T CA 0.585 62.545 62.100 -0.234 0.000 1.131 207 T CB -0.111 68.451 68.868 -0.509 0.000 0.871 207 T HN 0.457 nan 8.240 nan 0.000 0.479 208 W N 1.952 123.110 121.300 -0.237 0.000 2.476 208 W HA 0.076 4.735 4.660 -0.001 0.000 0.281 208 W C 1.566 178.009 176.519 -0.127 0.000 1.230 208 W CA 0.635 57.872 57.345 -0.180 0.000 1.287 208 W CB -0.030 29.309 29.460 -0.200 0.000 1.108 208 W HN 0.220 nan 8.180 nan 0.000 0.567 209 K N 0.270 120.692 120.400 0.036 0.000 2.366 209 K HA -0.081 4.239 4.320 -0.001 0.000 0.198 209 K C 1.918 178.481 176.600 -0.062 0.000 1.044 209 K CA 1.310 57.594 56.287 -0.004 0.000 0.973 209 K CB -0.148 32.366 32.500 0.022 0.000 0.767 209 K HN -0.019 nan 8.250 nan 0.000 0.475 210 S N 0.636 116.284 115.700 -0.085 0.000 2.650 210 S HA 0.063 4.532 4.470 -0.001 0.000 0.219 210 S C 0.239 174.770 174.600 -0.115 0.000 0.960 210 S CA 0.009 58.160 58.200 -0.080 0.000 0.925 210 S CB 0.056 63.216 63.200 -0.067 0.000 0.775 210 S HN -0.074 nan 8.310 nan 0.000 0.525 211 K N 1.766 122.058 120.400 -0.179 0.000 2.274 211 K HA 0.420 4.739 4.320 -0.001 0.000 0.262 211 K C 0.351 176.842 176.600 -0.182 0.000 0.961 211 K CA -0.545 55.615 56.287 -0.210 0.000 0.833 211 K CB 1.599 33.894 32.500 -0.342 0.000 1.102 211 K HN 0.113 nan 8.250 nan 0.000 0.436 212 K N 1.043 121.367 120.400 -0.126 0.000 2.009 212 K HA -0.075 4.244 4.320 -0.001 0.000 0.210 212 K C 0.223 176.755 176.600 -0.113 0.000 1.049 212 K CA 1.171 57.403 56.287 -0.093 0.000 0.929 212 K CB 0.107 32.567 32.500 -0.067 0.000 0.714 212 K HN 0.392 nan 8.250 nan 0.000 0.440 213 N N 1.343 119.962 118.700 -0.135 0.000 2.682 213 N HA 0.209 4.948 4.740 -0.001 0.000 0.252 213 N C -2.818 172.556 175.510 -0.225 0.000 1.081 213 N CA -1.206 51.764 53.050 -0.134 0.000 0.844 213 N CB 1.763 40.206 38.487 -0.072 0.000 1.167 213 N HN 0.053 nan 8.380 nan 0.000 0.523 214 P HA 0.211 nan 4.420 nan 0.000 0.280 214 P C -0.464 176.460 177.300 -0.626 0.000 1.244 214 P CA -0.389 62.221 63.100 -0.816 0.000 0.784 214 P CB 1.348 31.971 31.700 -1.794 0.000 0.913 215 M N 2.835 122.147 119.600 -0.480 0.000 2.271 215 M HA 0.594 5.073 4.480 -0.001 0.000 0.285 215 M C -1.348 174.859 176.300 -0.154 0.000 1.059 215 M CA -0.250 54.883 55.300 -0.278 0.000 0.940 215 M CB 2.066 34.584 32.600 -0.137 0.000 1.636 215 M HN 0.567 nan 8.290 nan 0.000 0.460 216 G N 3.793 112.603 108.800 0.017 0.000 2.658 216 G HA2 0.905 4.864 3.960 -0.001 0.000 0.292 216 G HA3 0.905 4.864 3.960 -0.001 0.000 0.292 216 G C -1.864 173.137 174.900 0.167 0.000 1.320 216 G CA -0.641 44.533 45.100 0.123 0.000 0.933 216 G HN 0.871 nan 8.290 nan 0.000 0.476 217 F N -0.883 119.019 119.950 -0.080 0.000 2.725 217 F HA 0.766 5.292 4.527 -0.001 0.000 0.309 217 F C -0.401 175.380 175.800 -0.033 0.000 1.132 217 F CA -1.306 56.651 58.000 -0.072 0.000 0.957 217 F CB 1.120 40.061 39.000 -0.098 0.000 1.286 217 F HN 0.751 nan 8.300 nan 0.000 0.440 218 S N 1.114 116.830 115.700 0.028 0.000 2.681 218 S HA 0.760 5.230 4.470 -0.001 0.000 0.299 218 S C -1.775 172.964 174.600 0.232 0.000 1.113 218 S CA -0.619 57.558 58.200 -0.038 0.000 1.013 218 S CB 1.983 65.176 63.200 -0.012 0.000 1.076 218 S HN 1.068 nan 8.310 nan 0.000 0.534 219 Y N 1.315 121.669 120.300 0.089 0.000 2.327 219 Y HA 0.441 4.990 4.550 -0.001 0.000 0.325 219 Y C -1.215 174.779 175.900 0.158 0.000 0.999 219 Y CA -0.821 57.417 58.100 0.229 0.000 1.195 219 Y CB 1.284 39.978 38.460 0.389 0.000 1.132 219 Y HN 0.931 nan 8.280 nan 0.000 0.455 220 D N 4.164 124.382 120.400 -0.305 0.000 2.317 220 D HA 0.253 4.892 4.640 -0.001 0.000 0.234 220 D C -0.756 175.371 176.300 -0.289 0.000 1.112 220 D CA -0.062 53.822 54.000 -0.194 0.000 0.840 220 D CB 1.217 41.952 40.800 -0.108 0.000 1.078 220 D HN 0.429 nan 8.370 nan 0.000 0.486 221 T N 3.968 118.514 114.554 -0.013 0.000 2.832 221 T HA 0.137 4.487 4.350 -0.001 0.000 0.296 221 T C 0.461 175.236 174.700 0.125 0.000 0.968 221 T CA -0.567 61.618 62.100 0.141 0.000 1.107 221 T CB 0.730 69.923 68.868 0.541 0.000 0.916 221 T HN 0.321 nan 8.240 nan 0.000 0.517 222 R N 2.728 123.267 120.500 0.065 0.000 2.498 222 R HA 0.051 4.390 4.340 -0.001 0.000 0.334 222 R C 0.091 176.471 176.300 0.133 0.000 1.106 222 R CA 0.002 56.130 56.100 0.048 0.000 0.995 222 R CB -1.252 29.028 30.300 -0.034 0.000 0.989 222 R HN 0.953 nan 8.270 nan 0.000 0.455 223 C N 5.796 125.201 119.300 0.175 0.000 3.165 223 C HA -0.194 4.265 4.460 -0.001 0.000 0.279 223 C C 1.160 176.335 174.990 0.308 0.000 1.188 223 C CA 0.008 59.173 59.018 0.244 0.000 2.448 223 C CB -2.360 25.542 27.740 0.271 0.000 1.516 223 C HN 1.014 nan 8.230 nan 0.000 0.491 224 F N 1.937 121.988 119.950 0.169 0.000 2.154 224 F HA -0.084 4.443 4.527 -0.001 0.000 0.301 224 F C 1.792 177.701 175.800 0.182 0.000 1.087 224 F CA 2.472 60.578 58.000 0.177 0.000 1.274 224 F CB -0.035 39.056 39.000 0.153 0.000 1.009 224 F HN 0.632 nan 8.300 nan 0.000 0.485 225 D N -0.489 120.112 120.400 0.334 0.000 2.144 225 D HA -0.150 4.489 4.640 -0.001 0.000 0.199 225 D C 2.441 178.792 176.300 0.086 0.000 0.984 225 D CA 1.586 55.717 54.000 0.218 0.000 0.834 225 D CB -0.361 40.585 40.800 0.245 0.000 0.955 225 D HN 0.247 nan 8.370 nan 0.000 0.465 226 S N -0.444 115.344 115.700 0.146 0.000 2.428 226 S HA -0.110 4.359 4.470 -0.001 0.000 0.230 226 S C 2.110 176.716 174.600 0.010 0.000 1.014 226 S CA 1.376 59.592 58.200 0.027 0.000 0.957 226 S CB -0.244 62.995 63.200 0.066 0.000 0.784 226 S HN 0.522 nan 8.310 nan 0.000 0.499 227 T N 0.338 114.961 114.554 0.115 0.000 2.867 227 T HA 0.027 4.376 4.350 -0.001 0.000 0.268 227 T C 0.822 175.459 174.700 -0.105 0.000 1.057 227 T CA 0.321 62.461 62.100 0.067 0.000 1.136 227 T CB -0.750 68.072 68.868 -0.076 0.000 0.874 227 T HN 0.086 nan 8.240 nan 0.000 0.466 228 V N 3.949 123.733 119.914 -0.218 0.000 2.475 228 V HA 0.244 4.364 4.120 -0.001 0.000 0.292 228 V C 1.170 177.210 176.094 -0.090 0.000 1.003 228 V CA 0.266 62.469 62.300 -0.162 0.000 1.120 228 V CB -0.507 31.252 31.823 -0.107 0.000 0.937 228 V HN 0.789 nan 8.190 nan 0.000 0.476 229 T N 0.765 115.283 114.554 -0.059 0.000 2.936 229 T HA 0.335 4.685 4.350 -0.001 0.000 0.282 229 T C 1.031 175.714 174.700 -0.028 0.000 1.003 229 T CA -0.343 61.728 62.100 -0.048 0.000 1.005 229 T CB 1.596 70.443 68.868 -0.036 0.000 1.097 229 T HN 0.684 nan 8.240 nan 0.000 0.532 230 E N 0.541 120.725 120.200 -0.027 0.000 2.130 230 E HA -0.315 4.034 4.350 -0.001 0.000 0.196 230 E C 1.842 178.443 176.600 0.000 0.000 0.998 230 E CA 1.841 58.236 56.400 -0.008 0.000 0.806 230 E CB -0.220 29.473 29.700 -0.011 0.000 0.738 230 E HN 0.770 nan 8.360 nan 0.000 0.459 231 N N 0.506 119.202 118.700 -0.007 0.000 2.120 231 N HA -0.178 4.561 4.740 -0.001 0.000 0.188 231 N C 1.405 176.927 175.510 0.021 0.000 1.024 231 N CA 1.960 55.011 53.050 0.001 0.000 0.852 231 N CB -0.033 38.443 38.487 -0.019 0.000 1.003 231 N HN 0.154 nan 8.380 nan 0.000 0.424 232 D N 0.279 120.693 120.400 0.023 0.000 2.097 232 D HA -0.120 4.519 4.640 -0.001 0.000 0.195 232 D C 2.000 178.311 176.300 0.018 0.000 0.989 232 D CA 1.038 55.063 54.000 0.042 0.000 0.827 232 D CB -0.345 40.480 40.800 0.041 0.000 0.966 232 D HN 0.446 nan 8.370 nan 0.000 0.456 233 I N 0.660 121.242 120.570 0.020 0.000 2.264 233 I HA -0.241 3.928 4.170 -0.001 0.000 0.248 233 I C 2.518 178.642 176.117 0.010 0.000 1.111 233 I CA 1.082 62.400 61.300 0.030 0.000 1.382 233 I CB -0.168 37.872 38.000 0.067 0.000 1.060 233 I HN -0.096 nan 8.210 nan 0.000 0.418 234 R N 0.089 120.595 120.500 0.010 0.000 2.090 234 R HA -0.053 4.287 4.340 -0.001 0.000 0.228 234 R C 2.352 178.633 176.300 -0.032 0.000 1.110 234 R CA 0.946 57.047 56.100 0.000 0.000 0.973 234 R CB -0.270 30.036 30.300 0.010 0.000 0.869 234 R HN 0.191 nan 8.270 nan 0.000 0.440 235 V N 1.318 121.218 119.914 -0.023 0.000 2.358 235 V HA -0.232 3.887 4.120 -0.001 0.000 0.246 235 V C 1.959 177.971 176.094 -0.137 0.000 1.047 235 V CA 1.754 64.033 62.300 -0.035 0.000 1.035 235 V CB -0.443 31.402 31.823 0.037 0.000 0.658 235 V HN 0.335 nan 8.190 nan 0.000 0.452 236 E N -0.183 119.905 120.200 -0.186 0.000 2.065 236 E HA -0.314 4.035 4.350 -0.001 0.000 0.201 236 E C 2.349 178.505 176.600 -0.739 0.000 1.016 236 E CA 1.839 57.981 56.400 -0.430 0.000 0.818 236 E CB -0.195 29.272 29.700 -0.389 0.000 0.749 236 E HN 0.615 nan 8.360 nan 0.000 0.453 237 E N 0.102 120.031 120.200 -0.451 0.000 2.085 237 E HA -0.193 4.156 4.350 -0.001 0.000 0.194 237 E C 2.209 178.730 176.600 -0.131 0.000 0.994 237 E CA 1.520 57.769 56.400 -0.251 0.000 0.801 237 E CB 0.010 29.706 29.700 -0.008 0.000 0.743 237 E HN 0.242 nan 8.360 nan 0.000 0.453 238 S N 0.438 116.074 115.700 -0.106 0.000 2.419 238 S HA -0.144 4.325 4.470 -0.001 0.000 0.233 238 S C 2.044 176.613 174.600 -0.053 0.000 1.016 238 S CA 0.816 58.987 58.200 -0.048 0.000 0.974 238 S CB -0.480 62.698 63.200 -0.037 0.000 0.786 238 S HN 0.231 nan 8.310 nan 0.000 0.492 239 I N 0.179 120.671 120.570 -0.130 0.000 2.133 239 I HA -0.137 4.032 4.170 -0.001 0.000 0.238 239 I C 2.445 178.586 176.117 0.039 0.000 1.074 239 I CA 1.431 62.678 61.300 -0.088 0.000 1.342 239 I CB -0.757 37.147 38.000 -0.159 0.000 1.053 239 I HN 0.204 nan 8.210 nan 0.000 0.404 240 Y N 1.541 121.843 120.300 0.004 0.000 2.069 240 Y HA -0.267 4.282 4.550 -0.001 0.000 0.278 240 Y C 2.700 178.612 175.900 0.020 0.000 1.175 240 Y CA 0.822 58.931 58.100 0.014 0.000 1.134 240 Y CB -1.354 37.129 38.460 0.039 0.000 0.965 240 Y HN 0.281 nan 8.280 nan 0.000 0.498 241 Q N -1.133 118.781 119.800 0.191 0.000 2.515 241 Q HA -0.132 4.207 4.340 -0.001 0.000 0.215 241 Q C 2.151 178.195 176.000 0.073 0.000 0.983 241 Q CA 0.888 56.758 55.803 0.112 0.000 0.905 241 Q CB -0.838 27.947 28.738 0.078 0.000 0.961 241 Q HN 0.530 nan 8.270 nan 0.000 0.503 242 C N -0.381 118.958 119.300 0.066 0.000 2.514 242 C HA 0.070 4.529 4.460 -0.001 0.000 0.271 242 C C 1.457 176.471 174.990 0.041 0.000 1.399 242 C CA -0.851 58.191 59.018 0.040 0.000 1.765 242 C CB -0.521 27.233 27.740 0.023 0.000 1.893 242 C HN 0.403 nan 8.230 nan 0.000 0.531 243 C N 1.742 121.077 119.300 0.058 0.000 2.649 243 C HA 0.144 4.604 4.460 -0.001 0.000 0.377 243 C C 0.625 175.639 174.990 0.040 0.000 1.321 243 C CA -0.298 58.747 59.018 0.045 0.000 2.368 243 C CB -0.100 27.670 27.740 0.051 0.000 2.597 243 C HN 0.502 nan 8.230 nan 0.000 0.678 244 D N 1.600 122.019 120.400 0.031 0.000 2.352 244 D HA 0.381 5.020 4.640 -0.001 0.000 0.245 244 D C -0.874 175.448 176.300 0.036 0.000 1.224 244 D CA 0.258 54.276 54.000 0.030 0.000 0.879 244 D CB 0.053 40.867 40.800 0.023 0.000 1.057 244 D HN 0.402 nan 8.370 nan 0.000 0.491 245 L N 2.413 123.662 121.223 0.044 0.000 2.381 245 L HA 0.563 4.902 4.340 -0.001 0.000 0.268 245 L C 0.539 177.442 176.870 0.056 0.000 0.997 245 L CA -1.259 53.613 54.840 0.053 0.000 0.818 245 L CB 1.903 44.002 42.059 0.067 0.000 1.310 245 L HN 0.319 nan 8.230 nan 0.000 0.416 246 A N 3.236 126.093 122.820 0.062 0.000 2.531 246 A HA 0.261 4.580 4.320 -0.001 0.000 0.236 246 A C -1.681 175.948 177.584 0.074 0.000 1.062 246 A CA -0.687 51.389 52.037 0.064 0.000 0.760 246 A CB -0.182 18.862 19.000 0.073 0.000 0.995 246 A HN 0.663 nan 8.150 nan 0.000 0.501 247 P HA -0.211 nan 4.420 nan 0.000 0.216 247 P C 1.315 178.653 177.300 0.063 0.000 1.154 247 P CA 1.795 64.927 63.100 0.053 0.000 0.865 247 P CB 0.211 31.936 31.700 0.041 0.000 0.789 248 E N -0.738 119.519 120.200 0.096 0.000 2.110 248 E HA -0.171 4.178 4.350 -0.001 0.000 0.193 248 E C 1.929 178.623 176.600 0.156 0.000 0.988 248 E CA 1.088 57.565 56.400 0.129 0.000 0.804 248 E CB -0.456 29.378 29.700 0.225 0.000 0.745 248 E HN 0.095 nan 8.360 nan 0.000 0.458 249 A N 0.882 123.820 122.820 0.196 0.000 1.968 249 A HA -0.116 4.203 4.320 -0.001 0.000 0.217 249 A C 2.048 179.704 177.584 0.119 0.000 1.169 249 A CA 0.978 53.145 52.037 0.217 0.000 0.638 249 A CB -0.275 18.838 19.000 0.188 0.000 0.812 249 A HN 0.139 nan 8.150 nan 0.000 0.446 250 R N -0.960 119.588 120.500 0.081 0.000 2.075 250 R HA -0.157 4.182 4.340 -0.001 0.000 0.232 250 R C 2.471 178.786 176.300 0.025 0.000 1.126 250 R CA 1.614 57.750 56.100 0.060 0.000 0.963 250 R CB -0.273 30.056 30.300 0.049 0.000 0.858 250 R HN 0.653 nan 8.270 nan 0.000 0.435 251 Q N 0.938 120.731 119.800 -0.011 0.000 2.020 251 Q HA -0.115 4.224 4.340 -0.001 0.000 0.202 251 Q C 2.014 177.939 176.000 -0.125 0.000 0.982 251 Q CA 2.137 57.900 55.803 -0.067 0.000 0.838 251 Q CB -0.329 28.352 28.738 -0.095 0.000 0.899 251 Q HN 0.312 nan 8.270 nan 0.000 0.423 252 A N 0.214 122.915 122.820 -0.198 0.000 1.940 252 A HA -0.173 4.146 4.320 -0.001 0.000 0.219 252 A C 2.140 179.655 177.584 -0.115 0.000 1.176 252 A CA 1.704 53.550 52.037 -0.319 0.000 0.631 252 A CB -0.832 17.829 19.000 -0.565 0.000 0.814 252 A HN 0.525 nan 8.150 nan 0.000 0.446 253 I N -0.751 119.825 120.570 0.009 0.000 2.439 253 I HA -0.206 3.963 4.170 -0.001 0.000 0.251 253 I C 2.458 178.625 176.117 0.083 0.000 1.139 253 I CA 1.664 63.025 61.300 0.101 0.000 1.438 253 I CB -0.151 37.948 38.000 0.165 0.000 1.085 253 I HN 0.429 nan 8.210 nan 0.000 0.427 254 K N 0.533 120.949 120.400 0.028 0.000 2.062 254 K HA -0.154 4.165 4.320 -0.001 0.000 0.205 254 K C 2.329 178.909 176.600 -0.034 0.000 1.051 254 K CA 1.602 57.898 56.287 0.015 0.000 0.941 254 K CB -0.090 32.409 32.500 -0.002 0.000 0.719 254 K HN 0.056 nan 8.250 nan 0.000 0.440 255 S N 0.661 116.310 115.700 -0.085 0.000 2.368 255 S HA -0.050 4.420 4.470 -0.001 0.000 0.224 255 S C 1.928 176.431 174.600 -0.162 0.000 1.029 255 S CA 0.959 59.085 58.200 -0.125 0.000 0.988 255 S CB -0.264 62.832 63.200 -0.174 0.000 0.838 255 S HN 0.365 nan 8.310 nan 0.000 0.462 256 L N 0.727 121.826 121.223 -0.206 0.000 2.083 256 L HA -0.112 4.227 4.340 -0.001 0.000 0.209 256 L C 2.727 179.313 176.870 -0.473 0.000 1.083 256 L CA 1.580 56.183 54.840 -0.395 0.000 0.752 256 L CB -1.106 40.674 42.059 -0.465 0.000 0.899 256 L HN 0.363 nan 8.230 nan 0.000 0.433 257 T N -0.959 113.476 114.554 -0.197 0.000 2.643 257 T HA -0.161 4.188 4.350 -0.001 0.000 0.264 257 T C 1.791 176.475 174.700 -0.027 0.000 1.045 257 T CA 1.210 63.306 62.100 -0.008 0.000 1.155 257 T CB -0.117 68.824 68.868 0.122 0.000 0.863 257 T HN 0.271 nan 8.240 nan 0.000 0.420 258 E N 1.247 121.424 120.200 -0.038 0.000 2.072 258 E HA -0.045 4.305 4.350 -0.001 0.000 0.191 258 E C 2.212 178.789 176.600 -0.038 0.000 0.985 258 E CA 1.017 57.402 56.400 -0.025 0.000 0.801 258 E CB -0.185 29.500 29.700 -0.027 0.000 0.750 258 E HN 0.487 nan 8.360 nan 0.000 0.452 259 R N -0.398 120.054 120.500 -0.081 0.000 2.317 259 R HA 0.148 4.487 4.340 -0.001 0.000 0.208 259 R C 1.516 177.755 176.300 -0.101 0.000 0.914 259 R CA 0.150 56.203 56.100 -0.078 0.000 1.060 259 R CB 0.394 30.641 30.300 -0.087 0.000 1.015 259 R HN 0.048 nan 8.270 nan 0.000 0.498 260 L N -2.920 118.217 121.223 -0.145 0.000 2.681 260 L HA 0.168 4.507 4.340 -0.001 0.000 0.163 260 L C 0.939 177.803 176.870 -0.010 0.000 1.188 260 L CA 0.377 55.136 54.840 -0.135 0.000 0.944 260 L CB -0.372 41.540 42.059 -0.245 0.000 1.835 260 L HN -0.190 nan 8.230 nan 0.000 0.510 261 Y N 1.161 121.479 120.300 0.030 0.000 2.151 261 Y HA -0.173 4.376 4.550 -0.001 0.000 0.284 261 Y C 2.632 178.540 175.900 0.013 0.000 1.166 261 Y CA 1.911 60.035 58.100 0.041 0.000 1.163 261 Y CB -1.158 37.350 38.460 0.080 0.000 0.974 261 Y HN 0.190 nan 8.280 nan 0.000 0.511 262 I N -1.110 119.550 120.570 0.149 0.000 2.394 262 I HA -0.060 4.110 4.170 -0.001 0.000 0.251 262 I C 1.244 177.377 176.117 0.026 0.000 1.136 262 I CA 1.308 62.653 61.300 0.075 0.000 1.425 262 I CB -0.510 37.524 38.000 0.057 0.000 1.079 262 I HN 0.322 nan 8.210 nan 0.000 0.425 263 G N -0.843 107.954 108.800 -0.005 0.000 2.320 263 G HA2 0.479 4.438 3.960 -0.001 0.000 0.297 263 G HA3 0.479 4.438 3.960 -0.001 0.000 0.297 263 G C -1.036 173.714 174.900 -0.250 0.000 1.344 263 G CA -0.124 44.908 45.100 -0.113 0.000 0.851 263 G HN 0.396 nan 8.290 nan 0.000 0.567 264 G N -0.840 107.549 108.800 -0.685 0.000 2.328 264 G HA2 0.682 4.641 3.960 -0.001 0.000 0.299 264 G HA3 0.682 4.641 3.960 -0.001 0.000 0.299 264 G C -3.430 170.959 174.900 -0.850 0.000 1.435 264 G CA 0.020 44.692 45.100 -0.713 0.000 0.865 264 G HN 0.777 nan 8.290 nan 0.000 0.601 265 P HA 0.329 nan 4.420 nan 0.000 0.268 265 P C -0.342 176.864 177.300 -0.158 0.000 1.204 265 P CA 0.020 62.970 63.100 -0.250 0.000 0.768 265 P CB 0.965 32.627 31.700 -0.062 0.000 0.842 266 L N 3.170 124.343 121.223 -0.083 0.000 2.272 266 L HA 0.383 4.722 4.340 -0.001 0.000 0.289 266 L C 0.585 177.465 176.870 0.015 0.000 1.032 266 L CA -0.239 54.593 54.840 -0.014 0.000 0.810 266 L CB 1.105 43.209 42.059 0.075 0.000 1.205 266 L HN 0.266 nan 8.230 nan 0.000 0.422 267 T N 1.789 116.329 114.554 -0.023 0.000 2.770 267 T HA 0.266 4.615 4.350 -0.001 0.000 0.283 267 T C 0.047 174.736 174.700 -0.018 0.000 0.988 267 T CA -0.830 61.258 62.100 -0.020 0.000 0.957 267 T CB 1.138 69.973 68.868 -0.054 0.000 0.930 267 T HN 0.652 nan 8.240 nan 0.000 0.443 268 N N 1.382 120.089 118.700 0.012 0.000 2.263 268 N HA 0.025 4.764 4.740 -0.001 0.000 0.239 268 N C 1.442 176.951 175.510 -0.002 0.000 1.317 268 N CA -0.063 52.997 53.050 0.016 0.000 0.909 268 N CB 0.171 38.672 38.487 0.025 0.000 1.171 268 N HN 0.426 nan 8.380 nan 0.000 0.492 269 S N -1.452 114.254 115.700 0.011 0.000 2.469 269 S HA -0.104 4.366 4.470 -0.001 0.000 0.238 269 S C 0.901 175.498 174.600 -0.005 0.000 0.998 269 S CA 0.717 58.922 58.200 0.008 0.000 0.957 269 S CB -0.416 62.799 63.200 0.026 0.000 0.764 269 S HN 0.640 nan 8.310 nan 0.000 0.514 270 K N 0.574 120.972 120.400 -0.003 0.000 2.410 270 K HA 0.312 4.631 4.320 -0.001 0.000 0.200 270 K C 1.153 177.745 176.600 -0.012 0.000 1.023 270 K CA 0.320 56.603 56.287 -0.007 0.000 1.149 270 K CB 0.166 32.666 32.500 0.000 0.000 0.859 270 K HN 0.503 nan 8.250 nan 0.000 0.514 271 G N 1.646 110.434 108.800 -0.019 0.000 2.179 271 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.260 271 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.260 271 G C 0.026 174.921 174.900 -0.008 0.000 0.977 271 G CA 0.124 45.210 45.100 -0.024 0.000 0.641 271 G HN 0.372 nan 8.290 nan 0.000 0.533 272 Q N -0.132 119.671 119.800 0.004 0.000 2.396 272 Q HA 0.347 4.686 4.340 -0.001 0.000 0.221 272 Q C 0.375 176.392 176.000 0.028 0.000 1.025 272 Q CA -0.346 55.467 55.803 0.018 0.000 0.946 272 Q CB 0.622 29.374 28.738 0.024 0.000 1.224 272 Q HN 0.389 nan 8.270 nan 0.000 0.539 273 N N 0.213 118.938 118.700 0.042 0.000 2.426 273 N HA 0.112 4.851 4.740 -0.001 0.000 0.257 273 N C -0.286 175.283 175.510 0.098 0.000 1.002 273 N CA -0.499 52.587 53.050 0.059 0.000 0.942 273 N CB 0.617 39.138 38.487 0.057 0.000 1.112 273 N HN 0.544 nan 8.380 nan 0.000 0.499 274 C N 2.873 122.253 119.300 0.133 0.000 2.563 274 C HA 0.382 4.842 4.460 -0.001 0.000 0.268 274 C C 1.271 176.464 174.990 0.340 0.000 1.365 274 C CA 0.433 59.595 59.018 0.239 0.000 1.754 274 C CB -1.219 26.689 27.740 0.280 0.000 1.932 274 C HN 0.951 nan 8.230 nan 0.000 0.536 275 G N -1.355 107.553 108.800 0.180 0.000 2.332 275 G HA2 0.261 4.220 3.960 -0.001 0.000 0.265 275 G HA3 0.261 4.220 3.960 -0.001 0.000 0.265 275 G C -2.057 172.855 174.900 0.021 0.000 1.329 275 G CA -0.481 44.664 45.100 0.076 0.000 0.949 275 G HN 0.023 nan 8.290 nan 0.000 0.476 276 Y N 0.832 121.010 120.300 -0.203 0.000 2.462 276 Y HA 0.793 5.342 4.550 -0.001 0.000 0.346 276 Y C 0.128 175.890 175.900 -0.230 0.000 0.976 276 Y CA -0.932 57.068 58.100 -0.167 0.000 1.044 276 Y CB 1.959 40.337 38.460 -0.138 0.000 1.230 276 Y HN 0.698 nan 8.280 nan 0.000 0.455 277 R N 4.764 125.022 120.500 -0.403 0.000 2.393 277 R HA 0.519 4.859 4.340 -0.001 0.000 0.310 277 R C -0.736 175.415 176.300 -0.247 0.000 0.968 277 R CA -0.561 55.324 56.100 -0.357 0.000 0.867 277 R CB 0.859 30.989 30.300 -0.283 0.000 1.124 277 R HN 0.933 nan 8.270 nan 0.000 0.450 278 R N 2.974 123.296 120.500 -0.297 0.000 2.629 278 R HA 0.209 4.549 4.340 -0.001 0.000 0.386 278 R C -0.430 175.731 176.300 -0.231 0.000 1.071 278 R CA -0.271 55.739 56.100 -0.150 0.000 1.104 278 R CB 0.440 30.684 30.300 -0.093 0.000 1.370 278 R HN 0.772 nan 8.270 nan 0.000 0.574 279 C N -2.000 117.102 119.300 -0.331 0.000 3.301 279 C HA 0.616 5.075 4.460 -0.001 0.000 0.367 279 C C -0.275 174.637 174.990 -0.129 0.000 1.980 279 C CA -1.556 57.312 59.018 -0.248 0.000 1.349 279 C CB 1.094 28.621 27.740 -0.355 0.000 2.412 279 C HN 0.290 nan 8.230 nan 0.000 0.451 280 R N 1.162 121.636 120.500 -0.044 0.000 2.502 280 R HA 0.468 4.807 4.340 -0.001 0.000 0.292 280 R C -0.001 176.352 176.300 0.088 0.000 0.998 280 R CA 0.956 57.085 56.100 0.049 0.000 1.056 280 R CB -0.149 30.216 30.300 0.107 0.000 0.939 280 R HN 1.137 nan 8.270 nan 0.000 0.411 281 A N 3.614 126.500 122.820 0.109 0.000 2.289 281 A HA 0.277 4.596 4.320 -0.001 0.000 0.298 281 A C 0.981 178.660 177.584 0.159 0.000 1.208 281 A CA -0.079 52.044 52.037 0.144 0.000 0.845 281 A CB 0.710 19.803 19.000 0.154 0.000 1.125 281 A HN 1.010 nan 8.150 nan 0.000 0.517 282 S N 2.404 118.210 115.700 0.176 0.000 2.406 282 S HA -0.047 4.422 4.470 -0.001 0.000 0.228 282 S C 1.483 176.173 174.600 0.149 0.000 1.020 282 S CA 1.082 59.377 58.200 0.159 0.000 0.965 282 S CB -0.277 63.019 63.200 0.159 0.000 0.798 282 S HN 1.128 nan 8.310 nan 0.000 0.488 283 G N 2.009 110.927 108.800 0.197 0.000 3.210 283 G HA2 0.381 4.340 3.960 -0.001 0.000 0.220 283 G HA3 0.381 4.340 3.960 -0.001 0.000 0.220 283 G C 0.344 175.371 174.900 0.211 0.000 1.200 283 G CA 0.214 45.441 45.100 0.212 0.000 0.834 283 G HN 0.627 nan 8.290 nan 0.000 0.524 284 V N -2.187 117.837 119.914 0.184 0.000 2.716 284 V HA 0.511 4.630 4.120 -0.001 0.000 0.304 284 V C 1.528 177.692 176.094 0.117 0.000 1.053 284 V CA -0.976 61.443 62.300 0.200 0.000 0.984 284 V CB 1.765 33.741 31.823 0.255 0.000 1.021 284 V HN 0.014 nan 8.190 nan 0.000 0.467 285 L N 3.712 125.020 121.223 0.142 0.000 2.127 285 L HA -0.071 4.268 4.340 -0.001 0.000 0.211 285 L C 2.259 179.144 176.870 0.026 0.000 1.089 285 L CA 2.967 57.871 54.840 0.107 0.000 0.757 285 L CB -0.876 41.271 42.059 0.146 0.000 0.899 285 L HN 1.089 nan 8.230 nan 0.000 0.434 286 T N -6.156 108.330 114.554 -0.114 0.000 3.144 286 T HA 0.029 4.378 4.350 -0.001 0.000 0.249 286 T C 1.558 176.202 174.700 -0.094 0.000 1.089 286 T CA 0.652 62.646 62.100 -0.176 0.000 0.989 286 T CB -0.620 67.996 68.868 -0.420 0.000 0.992 286 T HN 0.248 nan 8.240 nan 0.000 0.540 287 T N 1.986 116.516 114.554 -0.040 0.000 2.652 287 T HA -0.145 4.204 4.350 -0.001 0.000 0.267 287 T C 2.221 176.953 174.700 0.054 0.000 1.039 287 T CA 1.813 63.929 62.100 0.026 0.000 1.153 287 T CB -0.628 68.277 68.868 0.062 0.000 0.863 287 T HN 0.547 nan 8.240 nan 0.000 0.428 288 S N -0.133 115.583 115.700 0.027 0.000 2.345 288 S HA -0.155 4.314 4.470 -0.001 0.000 0.220 288 S C 2.484 177.128 174.600 0.073 0.000 1.031 288 S CA 1.528 59.747 58.200 0.032 0.000 0.996 288 S CB -0.999 62.137 63.200 -0.107 0.000 0.882 288 S HN 0.676 nan 8.310 nan 0.000 0.445 289 C N 1.416 120.732 119.300 0.025 0.000 2.413 289 C HA 0.047 4.506 4.460 -0.001 0.000 0.276 289 C C 2.823 177.856 174.990 0.071 0.000 1.236 289 C CA 1.298 60.332 59.018 0.027 0.000 1.735 289 C CB -1.869 25.857 27.740 -0.024 0.000 2.031 289 C HN 0.707 nan 8.230 nan 0.000 0.474 290 G N 0.705 109.563 108.800 0.098 0.000 2.459 290 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.217 290 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.217 290 G C 1.503 176.485 174.900 0.137 0.000 1.183 290 G CA 1.160 46.332 45.100 0.120 0.000 0.776 290 G HN 0.616 nan 8.290 nan 0.000 0.552 291 N N 0.572 119.370 118.700 0.163 0.000 2.011 291 N HA -0.132 4.607 4.740 -0.001 0.000 0.199 291 N C 2.423 177.995 175.510 0.104 0.000 1.047 291 N CA 1.982 55.159 53.050 0.211 0.000 0.863 291 N CB -1.152 37.400 38.487 0.108 0.000 1.056 291 N HN 0.263 nan 8.380 nan 0.000 0.427 292 T N 2.307 116.906 114.554 0.076 0.000 2.665 292 T HA -0.122 4.227 4.350 -0.001 0.000 0.268 292 T C 2.163 176.918 174.700 0.093 0.000 1.035 292 T CA 0.872 63.021 62.100 0.081 0.000 1.151 292 T CB -0.427 68.532 68.868 0.153 0.000 0.862 292 T HN 0.155 nan 8.240 nan 0.000 0.438 293 L N 0.449 121.709 121.223 0.062 0.000 1.989 293 L HA -0.149 4.190 4.340 -0.001 0.000 0.211 293 L C 2.936 179.878 176.870 0.119 0.000 1.071 293 L CA 1.464 56.329 54.840 0.041 0.000 0.749 293 L CB -0.852 41.211 42.059 0.007 0.000 0.890 293 L HN 0.300 nan 8.230 nan 0.000 0.431 294 T N -1.709 112.940 114.554 0.159 0.000 2.867 294 T HA -0.215 4.134 4.350 -0.001 0.000 0.268 294 T C 1.920 176.795 174.700 0.291 0.000 1.057 294 T CA 1.290 63.520 62.100 0.216 0.000 1.136 294 T CB -0.404 68.635 68.868 0.284 0.000 0.874 294 T HN 0.486 nan 8.240 nan 0.000 0.466 295 C N 0.593 120.075 119.300 0.304 0.000 2.457 295 C HA -0.005 4.455 4.460 -0.001 0.000 0.278 295 C C 2.370 177.477 174.990 0.195 0.000 1.309 295 C CA 0.158 59.334 59.018 0.264 0.000 1.735 295 C CB -1.369 26.374 27.740 0.004 0.000 1.992 295 C HN 0.651 nan 8.230 nan 0.000 0.493 296 Y N 1.218 121.554 120.300 0.059 0.000 2.200 296 Y HA -0.081 4.469 4.550 -0.001 0.000 0.290 296 Y C 2.132 178.036 175.900 0.007 0.000 1.137 296 Y CA 2.058 60.179 58.100 0.034 0.000 1.163 296 Y CB -0.584 37.881 38.460 0.009 0.000 0.988 296 Y HN 0.325 nan 8.280 nan 0.000 0.518 297 L N 1.083 122.393 121.223 0.146 0.000 2.046 297 L HA -0.157 4.182 4.340 -0.001 0.000 0.208 297 L C 1.996 178.767 176.870 -0.164 0.000 1.077 297 L CA 1.932 56.748 54.840 -0.040 0.000 0.747 297 L CB -0.810 41.203 42.059 -0.076 0.000 0.896 297 L HN 0.133 nan 8.230 nan 0.000 0.432 298 K N -0.532 119.838 120.400 -0.049 0.000 2.217 298 K HA 0.051 4.370 4.320 -0.001 0.000 0.202 298 K C 1.864 178.438 176.600 -0.043 0.000 1.051 298 K CA 1.016 57.268 56.287 -0.059 0.000 0.952 298 K CB -0.183 32.405 32.500 0.147 0.000 0.736 298 K HN 0.475 nan 8.250 nan 0.000 0.453 299 A N 0.472 123.268 122.820 -0.040 0.000 2.132 299 A HA 0.053 4.372 4.320 -0.001 0.000 0.213 299 A C 1.917 179.497 177.584 -0.008 0.000 1.154 299 A CA 0.636 52.677 52.037 0.006 0.000 0.753 299 A CB 0.086 19.164 19.000 0.130 0.000 0.826 299 A HN 0.063 nan 8.150 nan 0.000 0.469 300 S N -0.015 115.568 115.700 -0.195 0.000 2.388 300 S HA 0.135 4.605 4.470 -0.001 0.000 0.223 300 S C 2.342 176.871 174.600 -0.118 0.000 1.034 300 S CA 0.800 58.866 58.200 -0.222 0.000 0.963 300 S CB -0.289 62.665 63.200 -0.410 0.000 0.827 300 S HN 0.719 nan 8.310 nan 0.000 0.481 301 A N 2.063 124.803 122.820 -0.134 0.000 1.865 301 A HA 0.053 4.372 4.320 -0.001 0.000 0.217 301 A C 2.364 179.966 177.584 0.031 0.000 1.191 301 A CA 1.817 53.816 52.037 -0.064 0.000 0.623 301 A CB -1.272 17.635 19.000 -0.155 0.000 0.826 301 A HN 0.512 nan 8.150 nan 0.000 0.444 302 A N -1.373 121.483 122.820 0.060 0.000 1.986 302 A HA -0.211 4.108 4.320 -0.001 0.000 0.220 302 A C 2.310 179.909 177.584 0.024 0.000 1.171 302 A CA 1.731 53.693 52.037 -0.124 0.000 0.640 302 A CB -1.316 17.220 19.000 -0.773 0.000 0.811 302 A HN 0.620 nan 8.150 nan 0.000 0.451 303 c N -0.764 117.967 118.600 0.219 0.000 2.442 303 c HA -0.101 4.468 4.570 -0.001 0.000 0.279 303 c C 2.975 177.111 174.090 0.077 0.000 1.237 303 c CA 1.253 57.763 56.329 0.303 0.000 1.722 303 c CB -1.159 41.450 42.510 0.164 0.000 2.056 303 c HN 0.672 nan 8.230 nan 0.000 0.469 304 R N 0.983 121.425 120.500 -0.098 0.000 2.091 304 R HA -0.117 4.222 4.340 -0.001 0.000 0.238 304 R C 2.320 178.453 176.300 -0.278 0.000 1.136 304 R CA 1.599 57.513 56.100 -0.309 0.000 0.959 304 R CB -0.691 29.182 30.300 -0.712 0.000 0.856 304 R HN 0.556 nan 8.270 nan 0.000 0.437 305 A N 1.452 124.178 122.820 -0.156 0.000 1.986 305 A HA -0.110 4.210 4.320 -0.001 0.000 0.220 305 A C 2.102 179.721 177.584 0.058 0.000 1.171 305 A CA 1.822 53.899 52.037 0.067 0.000 0.640 305 A CB -0.363 18.698 19.000 0.101 0.000 0.811 305 A HN 0.411 nan 8.150 nan 0.000 0.451 306 A N -1.619 121.238 122.820 0.062 0.000 2.423 306 A HA 0.444 4.763 4.320 -0.001 0.000 0.246 306 A C 0.744 178.357 177.584 0.048 0.000 1.278 306 A CA 0.297 52.379 52.037 0.076 0.000 0.903 306 A CB -0.392 18.698 19.000 0.149 0.000 0.997 306 A HN 0.421 nan 8.150 nan 0.000 0.510 307 K N -0.944 119.472 120.400 0.027 0.000 3.156 307 K HA -0.176 4.143 4.320 -0.001 0.000 0.266 307 K C -0.954 175.651 176.600 0.009 0.000 0.966 307 K CA 0.237 56.532 56.287 0.014 0.000 0.719 307 K CB -1.577 30.935 32.500 0.021 0.000 1.333 307 K HN 0.357 nan 8.250 nan 0.000 0.468 308 L N 1.944 123.175 121.223 0.013 0.000 2.313 308 L HA 0.074 4.413 4.340 -0.001 0.000 0.282 308 L C 0.748 177.611 176.870 -0.011 0.000 1.092 308 L CA 0.382 55.221 54.840 -0.002 0.000 0.831 308 L CB 0.966 43.026 42.059 0.003 0.000 1.159 308 L HN 0.115 nan 8.230 nan 0.000 0.442 309 Q N 3.131 122.920 119.800 -0.018 0.000 2.311 309 Q HA 0.010 4.349 4.340 -0.001 0.000 0.272 309 Q C -0.042 175.938 176.000 -0.033 0.000 1.012 309 Q CA -0.017 55.772 55.803 -0.023 0.000 0.891 309 Q CB 0.322 29.044 28.738 -0.026 0.000 1.201 309 Q HN 0.465 nan 8.270 nan 0.000 0.391 310 D N 1.136 121.518 120.400 -0.030 0.000 2.904 310 D HA -0.175 4.464 4.640 -0.001 0.000 0.231 310 D C -1.053 175.223 176.300 -0.040 0.000 1.185 310 D CA 0.220 54.199 54.000 -0.035 0.000 0.783 310 D CB -0.670 40.099 40.800 -0.051 0.000 0.961 310 D HN 0.532 nan 8.370 nan 0.000 0.409 311 c N 2.215 120.800 118.600 -0.025 0.000 2.520 311 c HA 0.327 4.897 4.570 -0.001 0.000 0.369 311 c C 0.998 175.075 174.090 -0.021 0.000 1.244 311 c CA -0.046 56.267 56.329 -0.025 0.000 1.677 311 c CB -0.356 42.147 42.510 -0.011 0.000 2.324 311 c HN 0.352 nan 8.230 nan 0.000 0.557 312 T N 6.190 120.720 114.554 -0.041 0.000 2.829 312 T HA 0.688 5.037 4.350 -0.001 0.000 0.280 312 T C -0.323 174.362 174.700 -0.025 0.000 0.999 312 T CA -0.274 61.818 62.100 -0.012 0.000 0.983 312 T CB 1.026 69.862 68.868 -0.053 0.000 0.968 312 T HN 0.567 nan 8.240 nan 0.000 0.446 313 M N 2.913 122.553 119.600 0.066 0.000 2.531 313 M HA 0.582 5.061 4.480 -0.001 0.000 0.286 313 M C -1.735 174.692 176.300 0.212 0.000 1.232 313 M CA -1.066 54.270 55.300 0.059 0.000 0.877 313 M CB 2.550 35.159 32.600 0.015 0.000 1.726 313 M HN 0.310 nan 8.290 nan 0.000 0.463 314 L N 2.607 123.925 121.223 0.158 0.000 2.343 314 L HA 0.750 5.089 4.340 -0.001 0.000 0.278 314 L C -1.590 175.337 176.870 0.096 0.000 0.996 314 L CA -0.493 54.489 54.840 0.237 0.000 0.831 314 L CB 1.790 44.001 42.059 0.254 0.000 1.232 314 L HN 0.529 nan 8.230 nan 0.000 0.413 315 V N 4.457 124.427 119.914 0.093 0.000 2.483 315 V HA 0.528 4.648 4.120 -0.001 0.000 0.297 315 V C -0.685 175.331 176.094 -0.129 0.000 1.027 315 V CA -0.654 61.659 62.300 0.021 0.000 0.855 315 V CB 1.720 33.627 31.823 0.140 0.000 0.995 315 V HN 0.737 nan 8.190 nan 0.000 0.424 316 N N 4.004 122.527 118.700 -0.296 0.000 2.558 316 N HA 0.616 5.356 4.740 -0.001 0.000 0.242 316 N C 0.776 176.144 175.510 -0.237 0.000 0.979 316 N CA 0.799 53.430 53.050 -0.699 0.000 0.931 316 N CB 1.615 39.537 38.487 -0.942 0.000 1.122 316 N HN 0.992 nan 8.380 nan 0.000 0.508 317 G N 2.658 111.499 108.800 0.069 0.000 2.634 317 G HA2 -0.406 3.553 3.960 -0.001 0.000 0.318 317 G HA3 -0.406 3.553 3.960 -0.001 0.000 0.318 317 G C 0.553 175.359 174.900 -0.157 0.000 1.207 317 G CA 0.828 45.992 45.100 0.105 0.000 0.987 317 G HN 0.639 nan 8.290 nan 0.000 0.547 318 D N 1.323 121.577 120.400 -0.242 0.000 2.328 318 D HA 0.112 4.751 4.640 -0.001 0.000 0.221 318 D C 0.175 176.312 176.300 -0.273 0.000 1.072 318 D CA 0.726 54.394 54.000 -0.555 0.000 0.850 318 D CB -0.027 40.501 40.800 -0.452 0.000 0.922 318 D HN 0.387 nan 8.370 nan 0.000 0.516 319 D N 0.739 121.052 120.400 -0.146 0.000 2.177 319 D HA 0.346 4.985 4.640 -0.001 0.000 0.247 319 D C -1.062 175.208 176.300 -0.050 0.000 1.063 319 D CA -0.623 53.334 54.000 -0.073 0.000 0.867 319 D CB 1.724 42.478 40.800 -0.077 0.000 1.168 319 D HN 0.054 nan 8.370 nan 0.000 0.445 320 L N 4.079 125.311 121.223 0.015 0.000 2.408 320 L HA 0.540 4.879 4.340 -0.001 0.000 0.268 320 L C -1.696 175.148 176.870 -0.043 0.000 0.986 320 L CA -0.627 54.230 54.840 0.030 0.000 0.820 320 L CB 2.024 44.174 42.059 0.151 0.000 1.303 320 L HN 0.170 nan 8.230 nan 0.000 0.411 321 V N 5.035 124.879 119.914 -0.116 0.000 2.638 321 V HA 0.679 4.798 4.120 -0.001 0.000 0.306 321 V C -1.037 174.849 176.094 -0.346 0.000 1.052 321 V CA -0.577 61.580 62.300 -0.238 0.000 0.885 321 V CB 2.271 34.007 31.823 -0.144 0.000 0.999 321 V HN 0.535 nan 8.190 nan 0.000 0.424 322 V N 6.408 125.913 119.914 -0.682 0.000 2.482 322 V HA 0.541 4.660 4.120 -0.001 0.000 0.295 322 V C -0.543 175.275 176.094 -0.460 0.000 1.026 322 V CA -0.334 61.577 62.300 -0.647 0.000 0.856 322 V CB 1.855 33.098 31.823 -0.966 0.000 1.001 322 V HN 0.694 nan 8.190 nan 0.000 0.424 323 I N 5.483 125.916 120.570 -0.228 0.000 2.382 323 I HA 0.571 4.740 4.170 -0.001 0.000 0.286 323 I C 0.217 176.247 176.117 -0.145 0.000 1.002 323 I CA -0.268 60.944 61.300 -0.146 0.000 1.135 323 I CB 1.333 39.269 38.000 -0.106 0.000 1.288 323 I HN 0.828 nan 8.210 nan 0.000 0.448 324 C N 2.316 121.539 119.300 -0.129 0.000 3.157 324 C HA 0.666 5.125 4.460 -0.001 0.000 0.368 324 C C 0.108 175.010 174.990 -0.146 0.000 1.623 324 C CA -0.885 58.068 59.018 -0.109 0.000 1.530 324 C CB 1.244 28.954 27.740 -0.050 0.000 2.152 324 C HN 0.710 nan 8.230 nan 0.000 0.456 325 E N 1.306 121.444 120.200 -0.105 0.000 1.963 325 E HA 0.379 4.728 4.350 -0.001 0.000 0.274 325 E C 0.162 176.723 176.600 -0.064 0.000 1.061 325 E CA 0.365 56.703 56.400 -0.104 0.000 0.847 325 E CB 0.350 30.003 29.700 -0.078 0.000 1.083 325 E HN 0.738 nan 8.360 nan 0.000 0.402 326 S N 3.151 118.818 115.700 -0.055 0.000 2.561 326 S HA 0.174 4.643 4.470 -0.001 0.000 0.294 326 S C 0.341 174.948 174.600 0.012 0.000 1.294 326 S CA 0.549 58.766 58.200 0.029 0.000 1.055 326 S CB 0.323 63.615 63.200 0.154 0.000 0.819 326 S HN 0.604 nan 8.310 nan 0.000 0.503 327 A N 3.484 126.318 122.820 0.024 0.000 2.676 327 A HA 0.640 4.959 4.320 -0.001 0.000 0.297 327 A C 0.602 178.188 177.584 0.003 0.000 1.132 327 A CA 0.140 52.178 52.037 0.003 0.000 0.972 327 A CB -0.555 18.443 19.000 -0.003 0.000 1.197 327 A HN 1.852 nan 8.150 nan 0.000 0.524 328 G N -0.978 107.824 108.800 0.004 0.000 3.367 328 G HA2 0.039 3.998 3.960 -0.001 0.000 0.686 328 G HA3 0.039 3.998 3.960 -0.001 0.000 0.686 328 G C 0.457 175.358 174.900 0.003 0.000 1.146 328 G CA 0.187 45.273 45.100 -0.022 0.000 0.913 328 G HN 0.781 nan 8.290 nan 0.000 0.554 329 T N 0.442 114.961 114.554 -0.059 0.000 2.649 329 T HA -0.253 4.097 4.350 -0.001 0.000 0.268 329 T C 2.339 177.066 174.700 0.044 0.000 1.036 329 T CA 2.730 64.828 62.100 -0.003 0.000 1.157 329 T CB -0.137 68.655 68.868 -0.126 0.000 0.861 329 T HN 0.541 nan 8.240 nan 0.000 0.445 330 Q N 0.060 119.864 119.800 0.007 0.000 2.119 330 Q HA -0.030 4.310 4.340 -0.001 0.000 0.201 330 Q C 2.254 178.261 176.000 0.012 0.000 0.972 330 Q CA 1.418 57.226 55.803 0.009 0.000 0.847 330 Q CB -0.435 28.301 28.738 -0.003 0.000 0.903 330 Q HN 0.569 nan 8.270 nan 0.000 0.433 331 E N 0.865 121.071 120.200 0.011 0.000 2.208 331 E HA -0.113 4.236 4.350 -0.001 0.000 0.193 331 E C 1.147 177.752 176.600 0.008 0.000 0.988 331 E CA 0.895 57.299 56.400 0.007 0.000 0.828 331 E CB 0.087 29.789 29.700 0.003 0.000 0.763 331 E HN 0.235 nan 8.360 nan 0.000 0.478 332 D N -0.126 120.292 120.400 0.030 0.000 2.103 332 D HA -0.069 4.570 4.640 -0.001 0.000 0.199 332 D C 1.746 178.028 176.300 -0.031 0.000 0.978 332 D CA 1.415 55.422 54.000 0.012 0.000 0.829 332 D CB -0.395 40.459 40.800 0.090 0.000 0.981 332 D HN 0.284 nan 8.370 nan 0.000 0.464 333 A N 1.226 124.047 122.820 0.001 0.000 2.024 333 A HA -0.075 4.244 4.320 -0.001 0.000 0.220 333 A C 2.271 179.837 177.584 -0.029 0.000 1.164 333 A CA 2.094 54.120 52.037 -0.019 0.000 0.643 333 A CB -0.486 18.520 19.000 0.010 0.000 0.806 333 A HN 0.247 nan 8.150 nan 0.000 0.451 334 A N -0.590 122.219 122.820 -0.017 0.000 1.854 334 A HA 0.003 4.322 4.320 -0.001 0.000 0.214 334 A C 2.435 180.006 177.584 -0.021 0.000 1.192 334 A CA 1.811 53.839 52.037 -0.014 0.000 0.611 334 A CB -0.946 18.050 19.000 -0.006 0.000 0.832 334 A HN 0.450 nan 8.150 nan 0.000 0.442 335 S N 0.268 115.950 115.700 -0.030 0.000 2.359 335 S HA -0.189 4.281 4.470 -0.001 0.000 0.223 335 S C 1.828 176.399 174.600 -0.049 0.000 1.039 335 S CA 1.654 59.834 58.200 -0.034 0.000 1.042 335 S CB -0.623 62.545 63.200 -0.052 0.000 0.915 335 S HN 0.474 nan 8.310 nan 0.000 0.439 336 L N 0.627 121.767 121.223 -0.137 0.000 2.187 336 L HA -0.159 4.180 4.340 -0.001 0.000 0.213 336 L C 2.773 179.623 176.870 -0.033 0.000 1.100 336 L CA 1.148 55.867 54.840 -0.203 0.000 0.765 336 L CB -0.339 41.520 42.059 -0.334 0.000 0.904 336 L HN 0.263 nan 8.230 nan 0.000 0.437 337 R N -0.727 119.762 120.500 -0.019 0.000 2.070 337 R HA -0.148 4.191 4.340 -0.001 0.000 0.233 337 R C 2.243 178.556 176.300 0.022 0.000 1.137 337 R CA 1.526 57.630 56.100 0.008 0.000 0.945 337 R CB -0.321 29.977 30.300 -0.002 0.000 0.845 337 R HN 0.116 nan 8.270 nan 0.000 0.430 338 V N 0.719 120.644 119.914 0.020 0.000 2.255 338 V HA -0.296 3.824 4.120 -0.001 0.000 0.247 338 V C 1.977 178.082 176.094 0.018 0.000 1.051 338 V CA 2.071 64.378 62.300 0.013 0.000 1.018 338 V CB -0.641 31.196 31.823 0.022 0.000 0.641 338 V HN 0.291 nan 8.190 nan 0.000 0.445 339 F N 1.377 121.267 119.950 -0.099 0.000 2.063 339 F HA -0.307 4.219 4.527 -0.001 0.000 0.298 339 F C 2.510 178.232 175.800 -0.130 0.000 1.109 339 F CA 2.588 60.517 58.000 -0.118 0.000 1.212 339 F CB -0.696 38.202 39.000 -0.171 0.000 0.973 339 F HN 0.152 nan 8.300 nan 0.000 0.480 340 T N -0.202 114.414 114.554 0.104 0.000 2.684 340 T HA -0.234 4.116 4.350 -0.001 0.000 0.267 340 T C 1.725 176.395 174.700 -0.049 0.000 1.036 340 T CA 1.833 63.984 62.100 0.085 0.000 1.148 340 T CB -0.424 68.559 68.868 0.191 0.000 0.863 340 T HN 0.392 nan 8.240 nan 0.000 0.436 341 E N 0.957 121.118 120.200 -0.066 0.000 2.085 341 E HA -0.079 4.271 4.350 -0.001 0.000 0.194 341 E C 2.541 179.004 176.600 -0.228 0.000 0.994 341 E CA 1.032 57.368 56.400 -0.108 0.000 0.801 341 E CB -0.242 29.411 29.700 -0.079 0.000 0.743 341 E HN 0.494 nan 8.360 nan 0.000 0.453 342 A N 0.900 123.538 122.820 -0.303 0.000 1.933 342 A HA -0.178 4.141 4.320 -0.001 0.000 0.218 342 A C 2.125 179.243 177.584 -0.776 0.000 1.175 342 A CA 1.189 52.915 52.037 -0.518 0.000 0.628 342 A CB -0.267 18.508 19.000 -0.375 0.000 0.814 342 A HN 0.126 nan 8.150 nan 0.000 0.444 343 M N -0.435 118.857 119.600 -0.513 0.000 2.132 343 M HA -0.095 4.384 4.480 -0.001 0.000 0.263 343 M C 2.156 178.352 176.300 -0.174 0.000 1.065 343 M CA 1.920 57.038 55.300 -0.303 0.000 1.122 343 M CB -1.845 30.534 32.600 -0.367 0.000 1.365 343 M HN 0.430 nan 8.290 nan 0.000 0.411 344 T N 0.273 114.734 114.554 -0.155 0.000 2.803 344 T HA -0.126 4.223 4.350 -0.001 0.000 0.269 344 T C 1.894 176.506 174.700 -0.146 0.000 1.052 344 T CA 1.082 63.129 62.100 -0.088 0.000 1.136 344 T CB -0.209 68.620 68.868 -0.065 0.000 0.864 344 T HN 0.392 nan 8.240 nan 0.000 0.467 345 R N -0.075 120.243 120.500 -0.303 0.000 2.189 345 R HA -0.002 4.337 4.340 -0.001 0.000 0.218 345 R C 1.158 177.337 176.300 -0.203 0.000 1.074 345 R CA 0.838 56.759 56.100 -0.299 0.000 0.991 345 R CB -0.132 29.920 30.300 -0.413 0.000 0.883 345 R HN 0.461 nan 8.270 nan 0.000 0.457 346 Y N -0.167 120.091 120.300 -0.070 0.000 2.461 346 Y HA 0.171 4.721 4.550 -0.001 0.000 0.277 346 Y C 0.816 176.686 175.900 -0.049 0.000 1.182 346 Y CA -0.761 57.294 58.100 -0.076 0.000 1.276 346 Y CB 0.063 38.511 38.460 -0.019 0.000 1.087 346 Y HN -0.082 nan 8.280 nan 0.000 0.519 347 S N 0.104 115.845 115.700 0.068 0.000 3.867 347 S HA -0.135 4.334 4.470 -0.001 0.000 0.334 347 S C 0.037 174.665 174.600 0.046 0.000 1.069 347 S CA 0.503 58.731 58.200 0.046 0.000 0.977 347 S CB -1.405 61.813 63.200 0.030 0.000 0.889 347 S HN 0.718 nan 8.310 nan 0.000 0.484 348 A N 1.475 124.351 122.820 0.093 0.000 3.365 348 A HA 0.577 4.896 4.320 -0.001 0.000 0.258 348 A C -1.986 175.745 177.584 0.245 0.000 0.964 348 A CA -0.667 51.478 52.037 0.179 0.000 0.988 348 A CB 0.868 20.030 19.000 0.269 0.000 1.193 348 A HN 0.467 nan 8.150 nan 0.000 0.508 349 P HA 0.304 nan 4.420 nan 0.000 0.273 349 P C -2.988 174.419 177.300 0.179 0.000 1.250 349 P CA -1.059 62.121 63.100 0.132 0.000 0.793 349 P CB 0.595 32.297 31.700 0.004 0.000 1.011 350 P HA 0.158 nan 4.420 nan 0.000 0.292 350 P C 0.693 177.930 177.300 -0.105 0.000 1.283 350 P CA -0.165 62.864 63.100 -0.117 0.000 0.835 350 P CB 1.235 32.911 31.700 -0.040 0.000 1.017 351 G N 2.200 110.911 108.800 -0.149 0.000 2.411 351 G HA2 -0.002 3.957 3.960 -0.001 0.000 0.213 351 G HA3 -0.002 3.957 3.960 -0.001 0.000 0.213 351 G C 0.028 174.883 174.900 -0.075 0.000 1.166 351 G CA 0.396 45.446 45.100 -0.083 0.000 0.802 351 G HN 0.474 nan 8.290 nan 0.000 0.533 352 D N 0.033 120.373 120.400 -0.099 0.000 2.619 352 D HA 0.363 5.003 4.640 -0.001 0.000 0.241 352 D C -2.840 173.429 176.300 -0.052 0.000 1.087 352 D CA -1.307 52.657 54.000 -0.060 0.000 0.851 352 D CB 2.114 42.886 40.800 -0.047 0.000 1.474 352 D HN -0.124 nan 8.370 nan 0.000 0.478 353 P HA 0.110 nan 4.420 nan 0.000 0.261 353 P C -2.255 175.072 177.300 0.046 0.000 1.203 353 P CA -0.662 62.453 63.100 0.026 0.000 0.767 353 P CB -0.313 31.398 31.700 0.019 0.000 0.785 354 P HA 0.025 nan 4.420 nan 0.000 0.268 354 P C -0.859 176.470 177.300 0.050 0.000 1.204 354 P CA 0.066 63.260 63.100 0.156 0.000 0.768 354 P CB 0.750 32.675 31.700 0.376 0.000 0.842 355 Q N 4.042 123.875 119.800 0.055 0.000 2.337 355 Q HA 0.539 4.878 4.340 -0.001 0.000 0.270 355 Q C -2.710 173.293 176.000 0.004 0.000 1.043 355 Q CA -2.528 53.278 55.803 0.006 0.000 0.794 355 Q CB 2.144 30.893 28.738 0.018 0.000 1.281 355 Q HN 0.281 nan 8.270 nan 0.000 0.446 356 P HA 0.021 nan 4.420 nan 0.000 0.265 356 P C -0.866 176.305 177.300 -0.215 0.000 1.193 356 P CA 0.339 63.349 63.100 -0.150 0.000 0.765 356 P CB 0.888 32.465 31.700 -0.204 0.000 0.823 357 E N 2.134 122.161 120.200 -0.288 0.000 2.288 357 E HA 0.243 4.593 4.350 -0.001 0.000 0.268 357 E C -0.580 175.808 176.600 -0.354 0.000 0.885 357 E CA -0.529 55.748 56.400 -0.205 0.000 0.767 357 E CB 1.375 31.053 29.700 -0.036 0.000 1.220 357 E HN 0.444 nan 8.360 nan 0.000 0.427 358 Y N -0.176 120.258 120.300 0.223 0.000 2.660 358 Y HA 0.181 4.730 4.550 -0.001 0.000 0.254 358 Y C 0.178 176.328 175.900 0.417 0.000 1.176 358 Y CA -0.387 57.908 58.100 0.326 0.000 1.195 358 Y CB 1.051 39.608 38.460 0.163 0.000 1.190 358 Y HN 0.245 nan 8.280 nan 0.000 0.535 359 D N 0.752 121.303 120.400 0.251 0.000 2.505 359 D HA 0.090 4.729 4.640 -0.001 0.000 0.250 359 D C 0.751 176.807 176.300 -0.407 0.000 1.164 359 D CA -0.245 53.736 54.000 -0.032 0.000 0.870 359 D CB 1.737 42.538 40.800 0.003 0.000 1.160 359 D HN 0.198 nan 8.370 nan 0.000 0.549 360 L N 4.784 125.394 121.223 -1.021 0.000 1.990 360 L HA -0.147 4.192 4.340 -0.001 0.000 0.213 360 L C 1.488 178.034 176.870 -0.540 0.000 1.072 360 L CA 2.080 56.230 54.840 -1.150 0.000 0.755 360 L CB -0.547 40.643 42.059 -1.447 0.000 0.889 360 L HN 0.481 nan 8.230 nan 0.000 0.432 361 E N -0.722 119.242 120.200 -0.394 0.000 2.533 361 E HA -0.116 4.233 4.350 -0.001 0.000 0.203 361 E C 1.613 178.109 176.600 -0.174 0.000 1.101 361 E CA 0.266 56.523 56.400 -0.239 0.000 0.894 361 E CB -0.205 29.398 29.700 -0.163 0.000 0.843 361 E HN 0.539 nan 8.360 nan 0.000 0.552 362 L N 0.513 121.627 121.223 -0.181 0.000 2.693 362 L HA 0.278 4.618 4.340 -0.001 0.000 0.235 362 L C 0.223 177.036 176.870 -0.095 0.000 1.127 362 L CA -0.130 54.646 54.840 -0.108 0.000 0.914 362 L CB 0.459 42.477 42.059 -0.068 0.000 1.193 362 L HN 0.069 nan 8.230 nan 0.000 0.502 363 I N -0.621 119.872 120.570 -0.128 0.000 2.460 363 I HA 0.246 4.415 4.170 -0.001 0.000 0.298 363 I C -0.167 175.897 176.117 -0.089 0.000 0.989 363 I CA -0.201 61.043 61.300 -0.094 0.000 1.173 363 I CB 1.960 39.895 38.000 -0.108 0.000 1.338 363 I HN -0.166 nan 8.210 nan 0.000 0.456 364 T N 3.853 118.371 114.554 -0.060 0.000 2.809 364 T HA 0.376 4.725 4.350 -0.001 0.000 0.296 364 T C -0.270 174.405 174.700 -0.041 0.000 1.015 364 T CA -0.660 61.410 62.100 -0.050 0.000 0.954 364 T CB 0.908 69.753 68.868 -0.039 0.000 0.950 364 T HN 0.716 nan 8.240 nan 0.000 0.450 365 S N 0.907 116.581 115.700 -0.043 0.000 2.503 365 S HA 0.454 4.923 4.470 -0.001 0.000 0.301 365 S C 0.490 175.078 174.600 -0.019 0.000 1.087 365 S CA -0.738 57.437 58.200 -0.041 0.000 1.042 365 S CB 0.835 63.999 63.200 -0.060 0.000 1.043 365 S HN 0.873 nan 8.310 nan 0.000 0.489 366 C N 2.185 121.471 119.300 -0.023 0.000 4.235 366 C HA -0.178 4.281 4.460 -0.001 0.000 0.301 366 C C 1.141 176.167 174.990 0.059 0.000 1.409 366 C CA 0.786 59.805 59.018 0.003 0.000 2.024 366 C CB -3.208 24.515 27.740 -0.027 0.000 1.286 366 C HN 1.460 nan 8.230 nan 0.000 0.746 367 S N -0.661 115.062 115.700 0.038 0.000 3.581 367 S HA -0.181 4.288 4.470 -0.001 0.000 0.354 367 S C 0.350 174.977 174.600 0.045 0.000 1.059 367 S CA 1.096 59.320 58.200 0.040 0.000 1.060 367 S CB -0.803 62.435 63.200 0.064 0.000 0.908 367 S HN 1.025 nan 8.310 nan 0.000 0.475 368 S N 0.948 116.671 115.700 0.037 0.000 2.840 368 S HA 0.866 5.335 4.470 -0.001 0.000 0.307 368 S C -0.556 174.032 174.600 -0.021 0.000 1.180 368 S CA -0.811 57.411 58.200 0.037 0.000 0.846 368 S CB 1.769 65.064 63.200 0.158 0.000 1.233 368 S HN 0.658 nan 8.310 nan 0.000 0.548 369 N N -1.130 117.543 118.700 -0.044 0.000 3.127 369 N HA 0.300 5.039 4.740 -0.001 0.000 0.239 369 N C -1.904 173.516 175.510 -0.149 0.000 1.407 369 N CA -0.521 52.468 53.050 -0.101 0.000 0.891 369 N CB 0.827 39.246 38.487 -0.114 0.000 1.447 369 N HN 0.383 nan 8.380 nan 0.000 0.507 370 V N 0.241 120.041 119.914 -0.190 0.000 2.686 370 V HA 0.650 4.769 4.120 -0.001 0.000 0.295 370 V C 0.459 176.402 176.094 -0.252 0.000 1.057 370 V CA -0.087 62.078 62.300 -0.224 0.000 1.012 370 V CB 1.061 32.739 31.823 -0.242 0.000 1.006 370 V HN 0.863 nan 8.190 nan 0.000 0.477 371 S N 2.447 117.939 115.700 -0.346 0.000 2.625 371 S HA 0.767 5.236 4.470 -0.001 0.000 0.271 371 S C -1.486 173.020 174.600 -0.156 0.000 1.161 371 S CA -0.411 57.609 58.200 -0.299 0.000 0.820 371 S CB 2.018 64.947 63.200 -0.452 0.000 1.137 371 S HN 0.637 nan 8.310 nan 0.000 0.470 372 V N 0.997 120.923 119.914 0.020 0.000 3.001 372 V HA 1.042 5.161 4.120 -0.001 0.000 0.314 372 V C -0.034 176.019 176.094 -0.067 0.000 1.099 372 V CA 0.379 62.639 62.300 -0.067 0.000 0.989 372 V CB 1.564 33.184 31.823 -0.339 0.000 1.040 372 V HN 1.472 nan 8.190 nan 0.000 0.434 373 A N 3.062 125.632 122.820 -0.417 0.000 2.791 373 A HA 0.856 5.175 4.320 -0.001 0.000 0.309 373 A C -1.532 175.477 177.584 -0.959 0.000 1.200 373 A CA -0.482 51.129 52.037 -0.711 0.000 0.635 373 A CB 1.519 19.928 19.000 -0.985 0.000 1.393 373 A HN 0.886 nan 8.150 nan 0.000 0.557 374 H N 0.345 119.061 119.070 -0.591 0.000 2.806 374 H HA 0.430 4.986 4.556 -0.001 0.000 0.367 374 H C -1.089 173.823 175.328 -0.693 0.000 1.136 374 H CA -0.159 55.548 56.048 -0.568 0.000 1.178 374 H CB 1.811 31.265 29.762 -0.513 0.000 1.718 374 H HN 0.915 nan 8.280 nan 0.000 0.540 375 D N 0.789 121.016 120.400 -0.288 0.000 2.453 375 D HA 0.218 4.857 4.640 -0.001 0.000 0.282 375 D C 1.432 177.666 176.300 -0.110 0.000 1.222 375 D CA -0.240 53.630 54.000 -0.215 0.000 1.079 375 D CB 0.127 40.857 40.800 -0.116 0.000 1.128 375 D HN 0.406 nan 8.370 nan 0.000 0.568 376 A N -0.701 122.117 122.820 -0.004 0.000 1.978 376 A HA -0.105 4.214 4.320 -0.001 0.000 0.220 376 A C 1.990 179.620 177.584 0.076 0.000 1.170 376 A CA 1.679 53.761 52.037 0.075 0.000 0.636 376 A CB -0.850 18.186 19.000 0.059 0.000 0.810 376 A HN 0.426 nan 8.150 nan 0.000 0.448 377 S N -1.513 114.207 115.700 0.034 0.000 2.605 377 S HA 0.372 4.842 4.470 -0.001 0.000 0.217 377 S C 1.426 176.038 174.600 0.020 0.000 0.958 377 S CA 0.679 58.895 58.200 0.026 0.000 0.919 377 S CB 0.030 63.236 63.200 0.011 0.000 0.780 377 S HN 1.551 nan 8.310 nan 0.000 0.507 378 G N 2.285 111.105 108.800 0.034 0.000 2.184 378 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.264 378 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.264 378 G C 0.153 175.028 174.900 -0.042 0.000 0.975 378 G CA 0.633 45.721 45.100 -0.020 0.000 0.642 378 G HN 0.566 nan 8.290 nan 0.000 0.536 379 K N 0.750 121.155 120.400 0.009 0.000 2.355 379 K HA 0.372 4.692 4.320 -0.001 0.000 0.270 379 K C 0.768 177.436 176.600 0.113 0.000 1.003 379 K CA -0.551 55.758 56.287 0.037 0.000 0.957 379 K CB 0.281 32.780 32.500 -0.002 0.000 0.939 379 K HN 0.300 nan 8.250 nan 0.000 0.482 380 R N 1.970 122.521 120.500 0.086 0.000 2.442 380 R HA 0.179 4.518 4.340 -0.001 0.000 0.291 380 R C -0.702 175.422 176.300 -0.294 0.000 1.069 380 R CA -0.278 55.736 56.100 -0.143 0.000 1.022 380 R CB 1.205 31.409 30.300 -0.161 0.000 0.976 380 R HN 0.387 nan 8.270 nan 0.000 0.443 381 V N 4.779 124.417 119.914 -0.459 0.000 2.925 381 V HA 0.437 4.557 4.120 -0.001 0.000 0.311 381 V C -1.600 174.221 176.094 -0.456 0.000 1.104 381 V CA -0.761 61.328 62.300 -0.352 0.000 0.954 381 V CB 1.797 33.487 31.823 -0.221 0.000 1.022 381 V HN 0.616 nan 8.190 nan 0.000 0.427 382 Y N 6.165 126.458 120.300 -0.012 0.000 2.387 382 Y HA 0.772 5.321 4.550 -0.001 0.000 0.330 382 Y C -0.143 175.822 175.900 0.108 0.000 1.133 382 Y CA -0.277 57.834 58.100 0.019 0.000 1.152 382 Y CB 1.694 40.116 38.460 -0.062 0.000 1.215 382 Y HN 0.764 nan 8.280 nan 0.000 0.466 383 Y N 0.177 120.502 120.300 0.042 0.000 2.644 383 Y HA 0.709 5.258 4.550 -0.001 0.000 0.338 383 Y C -2.134 173.792 175.900 0.044 0.000 1.119 383 Y CA -2.216 55.884 58.100 -0.001 0.000 1.060 383 Y CB 0.718 39.133 38.460 -0.075 0.000 1.294 383 Y HN 0.450 nan 8.280 nan 0.000 0.472 384 L N 2.183 123.431 121.223 0.041 0.000 2.264 384 L HA 0.726 5.065 4.340 -0.001 0.000 0.289 384 L C -0.048 176.918 176.870 0.160 0.000 1.044 384 L CA 0.463 55.332 54.840 0.048 0.000 0.807 384 L CB 0.959 43.137 42.059 0.199 0.000 1.192 384 L HN 1.050 nan 8.230 nan 0.000 0.425 385 T N 4.809 119.338 114.554 -0.042 0.000 2.693 385 T HA 0.903 5.252 4.350 -0.001 0.000 0.278 385 T C -0.919 173.731 174.700 -0.083 0.000 0.994 385 T CA -0.386 61.726 62.100 0.019 0.000 1.033 385 T CB 1.088 70.024 68.868 0.114 0.000 1.342 385 T HN 0.883 nan 8.240 nan 0.000 0.538 386 R N 0.130 120.595 120.500 -0.057 0.000 2.888 386 R HA 0.381 4.720 4.340 -0.001 0.000 0.277 386 R C -1.875 174.231 176.300 -0.323 0.000 0.981 386 R CA -0.954 55.029 56.100 -0.195 0.000 0.841 386 R CB -0.113 30.024 30.300 -0.272 0.000 1.405 386 R HN 0.514 nan 8.270 nan 0.000 0.472 387 D N 1.530 121.748 120.400 -0.305 0.000 2.383 387 D HA 0.139 4.779 4.640 -0.001 0.000 0.252 387 D C -1.414 174.544 176.300 -0.570 0.000 1.166 387 D CA -1.976 51.819 54.000 -0.341 0.000 0.879 387 D CB 1.380 42.061 40.800 -0.199 0.000 1.164 387 D HN 0.333 nan 8.370 nan 0.000 0.462 388 P HA -0.039 nan 4.420 nan 0.000 0.240 388 P C 1.182 178.213 177.300 -0.449 0.000 1.190 388 P CA 0.263 62.791 63.100 -0.954 0.000 0.781 388 P CB 0.332 31.427 31.700 -1.009 0.000 0.931 389 T N 0.536 114.925 114.554 -0.276 0.000 2.564 389 T HA -0.197 4.152 4.350 -0.001 0.000 0.264 389 T C 1.826 176.477 174.700 -0.081 0.000 1.100 389 T CA 2.839 64.864 62.100 -0.125 0.000 1.171 389 T CB -1.365 67.464 68.868 -0.065 0.000 0.863 389 T HN 0.209 nan 8.240 nan 0.000 0.430 390 T N 2.319 116.828 114.554 -0.075 0.000 2.652 390 T HA -0.078 4.272 4.350 -0.001 0.000 0.267 390 T C -0.450 174.224 174.700 -0.043 0.000 1.039 390 T CA 1.596 63.684 62.100 -0.020 0.000 1.153 390 T CB -1.329 67.555 68.868 0.027 0.000 0.863 390 T HN 0.348 nan 8.240 nan 0.000 0.428 391 P HA -0.055 nan 4.420 nan 0.000 0.216 391 P C 1.519 178.860 177.300 0.068 0.000 1.154 391 P CA 1.048 64.143 63.100 -0.009 0.000 0.865 391 P CB -0.209 31.427 31.700 -0.107 0.000 0.789 392 L N -1.345 119.882 121.223 0.007 0.000 2.023 392 L HA -0.123 4.216 4.340 -0.001 0.000 0.205 392 L C 2.557 179.488 176.870 0.101 0.000 1.073 392 L CA 1.490 56.372 54.840 0.070 0.000 0.745 392 L CB -1.458 40.601 42.059 -0.000 0.000 0.900 392 L HN -0.072 nan 8.230 nan 0.000 0.435 393 A N 0.502 123.363 122.820 0.068 0.000 1.927 393 A HA -0.264 4.055 4.320 -0.001 0.000 0.220 393 A C 2.418 180.083 177.584 0.135 0.000 1.185 393 A CA 2.002 54.099 52.037 0.100 0.000 0.639 393 A CB -0.573 18.472 19.000 0.075 0.000 0.820 393 A HN 0.376 nan 8.150 nan 0.000 0.451 394 R N -0.961 119.596 120.500 0.095 0.000 2.062 394 R HA 0.024 4.364 4.340 -0.001 0.000 0.229 394 R C 2.529 178.989 176.300 0.265 0.000 1.128 394 R CA 1.078 57.247 56.100 0.115 0.000 0.960 394 R CB -0.599 29.708 30.300 0.011 0.000 0.855 394 R HN 0.499 nan 8.270 nan 0.000 0.432 395 A N 1.652 124.660 122.820 0.314 0.000 2.032 395 A HA -0.181 4.139 4.320 -0.001 0.000 0.221 395 A C 2.356 180.237 177.584 0.494 0.000 1.165 395 A CA 1.862 54.230 52.037 0.552 0.000 0.645 395 A CB -0.512 18.865 19.000 0.627 0.000 0.807 395 A HN 0.423 nan 8.150 nan 0.000 0.453 396 A N -1.214 121.782 122.820 0.293 0.000 1.854 396 A HA -0.125 4.195 4.320 -0.001 0.000 0.214 396 A C 2.079 179.788 177.584 0.209 0.000 1.192 396 A CA 1.303 53.454 52.037 0.191 0.000 0.611 396 A CB -0.946 18.136 19.000 0.136 0.000 0.832 396 A HN 0.825 nan 8.150 nan 0.000 0.442 397 W N 1.370 122.710 121.300 0.067 0.000 2.318 397 W HA -0.187 4.473 4.660 -0.001 0.000 0.313 397 W C 1.422 177.975 176.519 0.056 0.000 1.221 397 W CA 2.093 59.459 57.345 0.036 0.000 1.266 397 W CB -0.436 29.027 29.460 0.005 0.000 1.150 397 W HN 0.552 nan 8.180 nan 0.000 0.496 398 E N -0.758 119.710 120.200 0.446 0.000 2.516 398 E HA -0.101 4.248 4.350 -0.001 0.000 0.199 398 E C 1.730 178.442 176.600 0.186 0.000 1.069 398 E CA 1.016 57.620 56.400 0.341 0.000 0.876 398 E CB -0.084 29.871 29.700 0.426 0.000 0.843 398 E HN 0.088 nan 8.360 nan 0.000 0.530 399 T N -0.172 114.479 114.554 0.161 0.000 3.067 399 T HA 0.090 4.439 4.350 -0.001 0.000 0.261 399 T C 1.308 175.970 174.700 -0.064 0.000 1.110 399 T CA 0.908 63.042 62.100 0.056 0.000 1.113 399 T CB 0.319 69.245 68.868 0.097 0.000 0.917 399 T HN 0.192 nan 8.240 nan 0.000 0.499 400 A N 0.512 123.273 122.820 -0.098 0.000 2.628 400 A HA 0.446 4.766 4.320 -0.001 0.000 0.267 400 A C 0.330 177.839 177.584 -0.126 0.000 1.159 400 A CA -0.355 51.601 52.037 -0.135 0.000 0.972 400 A CB 0.756 19.643 19.000 -0.189 0.000 1.211 400 A HN 0.060 nan 8.150 nan 0.000 0.576 401 R N 0.858 121.307 120.500 -0.086 0.000 2.549 401 R HA 0.250 4.590 4.340 -0.001 0.000 0.291 401 R C -1.849 174.523 176.300 0.120 0.000 1.164 401 R CA -0.394 55.739 56.100 0.055 0.000 0.973 401 R CB 0.498 30.856 30.300 0.097 0.000 1.210 401 R HN 0.471 nan 8.270 nan 0.000 0.422 402 H N 0.942 120.095 119.070 0.138 0.000 2.848 402 H HA 0.170 4.725 4.556 -0.001 0.000 0.317 402 H C 0.849 176.255 175.328 0.130 0.000 1.046 402 H CA 0.673 56.809 56.048 0.147 0.000 1.470 402 H CB 0.830 30.654 29.762 0.103 0.000 1.483 402 H HN 0.503 nan 8.280 nan 0.000 0.548 403 T N 0.204 114.886 114.554 0.212 0.000 2.950 403 T HA 0.289 4.638 4.350 -0.001 0.000 0.288 403 T C -1.684 173.033 174.700 0.027 0.000 1.035 403 T CA -2.156 60.008 62.100 0.105 0.000 1.028 403 T CB 1.605 70.513 68.868 0.067 0.000 1.109 403 T HN 0.260 nan 8.240 nan 0.000 0.514 404 P HA 0.159 nan 4.420 nan 0.000 0.223 404 P C -0.196 177.045 177.300 -0.097 0.000 1.151 404 P CA 0.234 63.263 63.100 -0.119 0.000 0.787 404 P CB 0.175 31.786 31.700 -0.148 0.000 0.788 405 V N 1.563 121.425 119.914 -0.087 0.000 2.289 405 V HA 0.165 4.284 4.120 -0.001 0.000 0.272 405 V C -0.085 175.924 176.094 -0.141 0.000 1.026 405 V CA -0.894 61.337 62.300 -0.116 0.000 0.807 405 V CB 0.503 32.255 31.823 -0.119 0.000 1.044 405 V HN 0.059 nan 8.190 nan 0.000 0.443 406 N N 2.906 121.483 118.700 -0.205 0.000 2.399 406 N HA -0.039 4.700 4.740 -0.001 0.000 0.284 406 N C 1.556 176.734 175.510 -0.554 0.000 1.283 406 N CA 0.537 53.346 53.050 -0.401 0.000 0.972 406 N CB 1.430 39.547 38.487 -0.617 0.000 1.328 406 N HN 0.771 nan 8.380 nan 0.000 0.486 407 S N 3.622 119.124 115.700 -0.330 0.000 2.368 407 S HA -0.091 4.379 4.470 -0.001 0.000 0.224 407 S C 1.886 176.337 174.600 -0.249 0.000 1.029 407 S CA 0.329 58.403 58.200 -0.210 0.000 0.988 407 S CB -0.265 62.903 63.200 -0.054 0.000 0.838 407 S HN 0.771 nan 8.310 nan 0.000 0.462 408 W N 1.198 122.375 121.300 -0.205 0.000 2.342 408 W HA -0.034 4.625 4.660 -0.001 0.000 0.297 408 W C 1.787 178.158 176.519 -0.248 0.000 1.213 408 W CA 0.658 57.800 57.345 -0.338 0.000 1.251 408 W CB -1.208 27.511 29.460 -1.236 0.000 1.136 408 W HN 0.402 nan 8.180 nan 0.000 0.526 409 L N 2.730 123.108 121.223 -1.407 0.000 2.023 409 L HA 0.214 4.554 4.340 -0.001 0.000 0.205 409 L C 2.685 179.302 176.870 -0.422 0.000 1.073 409 L CA 2.873 57.093 54.840 -1.034 0.000 0.745 409 L CB -1.471 39.679 42.059 -1.515 0.000 0.900 409 L HN 0.036 nan 8.230 nan 0.000 0.435 410 G N -0.272 108.282 108.800 -0.411 0.000 2.476 410 G HA2 -0.363 3.597 3.960 -0.001 0.000 0.218 410 G HA3 -0.363 3.597 3.960 -0.001 0.000 0.218 410 G C 1.546 176.407 174.900 -0.065 0.000 1.164 410 G CA 0.927 45.913 45.100 -0.190 0.000 0.768 410 G HN 0.460 nan 8.290 nan 0.000 0.560 411 N N 0.592 119.290 118.700 -0.002 0.000 2.069 411 N HA -0.070 4.669 4.740 -0.001 0.000 0.191 411 N C 2.327 177.948 175.510 0.185 0.000 1.031 411 N CA 1.021 54.191 53.050 0.201 0.000 0.852 411 N CB -0.262 38.439 38.487 0.356 0.000 1.018 411 N HN 0.369 nan 8.380 nan 0.000 0.423 412 I N 0.943 121.590 120.570 0.128 0.000 2.208 412 I HA -0.258 3.911 4.170 -0.001 0.000 0.245 412 I C 2.059 178.241 176.117 0.109 0.000 1.097 412 I CA 0.931 62.307 61.300 0.127 0.000 1.363 412 I CB -0.241 37.874 38.000 0.191 0.000 1.051 412 I HN 0.077 nan 8.210 nan 0.000 0.413 413 I N 0.059 120.684 120.570 0.092 0.000 2.226 413 I HA -0.299 3.870 4.170 -0.001 0.000 0.245 413 I C 2.377 178.598 176.117 0.173 0.000 1.100 413 I CA 1.249 62.632 61.300 0.139 0.000 1.374 413 I CB -0.213 37.865 38.000 0.129 0.000 1.057 413 I HN 0.244 nan 8.210 nan 0.000 0.413 414 M N -0.993 118.627 119.600 0.035 0.000 2.447 414 M HA -0.035 4.444 4.480 -0.001 0.000 0.264 414 M C 0.642 176.763 176.300 -0.297 0.000 1.095 414 M CA 1.348 56.573 55.300 -0.125 0.000 1.125 414 M CB -0.515 31.866 32.600 -0.364 0.000 1.389 414 M HN 0.182 nan 8.290 nan 0.000 0.459 415 Y N -0.664 119.671 120.300 0.057 0.000 2.698 415 Y HA 0.521 5.070 4.550 -0.001 0.000 0.261 415 Y C 1.710 177.406 175.900 -0.341 0.000 1.104 415 Y CA -0.687 57.321 58.100 -0.152 0.000 1.145 415 Y CB -0.945 37.407 38.460 -0.180 0.000 1.191 415 Y HN 0.133 nan 8.280 nan 0.000 0.564 416 A N 0.899 123.636 122.820 -0.138 0.000 1.927 416 A HA -0.180 4.139 4.320 -0.001 0.000 0.220 416 A C -0.365 177.053 177.584 -0.278 0.000 1.185 416 A CA 1.876 53.820 52.037 -0.155 0.000 0.639 416 A CB -1.373 17.617 19.000 -0.018 0.000 0.820 416 A HN 0.291 nan 8.150 nan 0.000 0.451 417 P HA 0.003 nan 4.420 nan 0.000 0.230 417 P C 0.498 177.607 177.300 -0.317 0.000 1.158 417 P CA 1.275 64.170 63.100 -0.342 0.000 0.769 417 P CB -0.345 31.154 31.700 -0.334 0.000 0.807 418 T N -2.461 111.893 114.554 -0.332 0.000 2.884 418 T HA 0.128 4.478 4.350 -0.001 0.000 0.298 418 T C 1.104 175.365 174.700 -0.731 0.000 0.998 418 T CA -0.672 61.152 62.100 -0.461 0.000 1.124 418 T CB 0.727 69.033 68.868 -0.937 0.000 0.931 418 T HN -0.181 nan 8.240 nan 0.000 0.531 419 L N 3.138 123.880 121.223 -0.802 0.000 2.043 419 L HA -0.047 4.293 4.340 -0.001 0.000 0.212 419 L C 2.265 178.801 176.870 -0.556 0.000 1.075 419 L CA 1.766 56.041 54.840 -0.943 0.000 0.752 419 L CB -1.026 40.407 42.059 -1.042 0.000 0.891 419 L HN 0.935 nan 8.230 nan 0.000 0.432 420 W N -1.063 120.044 121.300 -0.321 0.000 2.476 420 W HA 0.145 4.805 4.660 -0.001 0.000 0.281 420 W C 1.912 178.310 176.519 -0.201 0.000 1.230 420 W CA 0.680 57.876 57.345 -0.249 0.000 1.287 420 W CB -1.224 28.125 29.460 -0.186 0.000 1.108 420 W HN 0.332 nan 8.180 nan 0.000 0.567 421 A N 1.627 123.936 122.820 -0.852 0.000 2.016 421 A HA -0.024 4.295 4.320 -0.001 0.000 0.217 421 A C 2.240 179.660 177.584 -0.273 0.000 1.162 421 A CA 0.985 52.691 52.037 -0.552 0.000 0.662 421 A CB -0.507 17.964 19.000 -0.881 0.000 0.812 421 A HN 0.268 nan 8.150 nan 0.000 0.450 422 R N -0.878 119.375 120.500 -0.412 0.000 2.051 422 R HA 0.110 4.449 4.340 -0.001 0.000 0.225 422 R C 2.245 178.345 176.300 -0.333 0.000 1.155 422 R CA 1.514 57.372 56.100 -0.403 0.000 0.945 422 R CB -0.421 29.462 30.300 -0.695 0.000 0.840 422 R HN 0.442 nan 8.270 nan 0.000 0.432 423 M N 0.206 119.483 119.600 -0.537 0.000 2.159 423 M HA -0.127 4.353 4.480 -0.001 0.000 0.263 423 M C 2.022 178.308 176.300 -0.023 0.000 1.063 423 M CA 1.716 56.855 55.300 -0.269 0.000 1.110 423 M CB -0.112 32.315 32.600 -0.288 0.000 1.374 423 M HN 0.173 nan 8.290 nan 0.000 0.411 424 I N -0.977 119.403 120.570 -0.318 0.000 2.962 424 I HA -0.113 4.056 4.170 -0.001 0.000 0.246 424 I C 2.146 178.088 176.117 -0.292 0.000 1.091 424 I CA 0.286 61.104 61.300 -0.803 0.000 1.469 424 I CB -0.351 37.083 38.000 -0.944 0.000 1.324 424 I HN 0.144 nan 8.210 nan 0.000 0.461 425 L N 0.560 121.806 121.223 0.037 0.000 1.970 425 L HA -0.256 4.084 4.340 -0.001 0.000 0.212 425 L C 2.780 179.987 176.870 0.561 0.000 1.071 425 L CA 1.802 56.886 54.840 0.406 0.000 0.751 425 L CB -0.541 41.782 42.059 0.441 0.000 0.889 425 L HN 0.296 nan 8.230 nan 0.000 0.432 426 M N -1.065 118.810 119.600 0.458 0.000 2.080 426 M HA -0.191 4.288 4.480 -0.001 0.000 0.260 426 M C 2.287 179.161 176.300 0.956 0.000 1.068 426 M CA 2.050 57.742 55.300 0.652 0.000 1.109 426 M CB -0.918 31.877 32.600 0.326 0.000 1.342 426 M HN 0.308 nan 8.290 nan 0.000 0.405 427 T N -0.927 114.171 114.554 0.906 0.000 2.545 427 T HA -0.241 4.108 4.350 -0.001 0.000 0.261 427 T C 1.639 176.696 174.700 0.595 0.000 1.097 427 T CA 2.055 64.686 62.100 0.885 0.000 1.189 427 T CB -0.705 68.680 68.868 0.861 0.000 0.863 427 T HN 0.434 nan 8.240 nan 0.000 0.405 428 H N 0.685 119.997 119.070 0.402 0.000 2.260 428 H HA -0.169 4.387 4.556 -0.001 0.000 0.288 428 H C 1.890 177.153 175.328 -0.108 0.000 1.094 428 H CA 2.171 58.318 56.048 0.166 0.000 1.197 428 H CB -0.771 28.918 29.762 -0.121 0.000 1.346 428 H HN 0.377 nan 8.280 nan 0.000 0.486 429 F N -1.238 118.713 119.950 0.002 0.000 2.186 429 F HA -0.061 4.465 4.527 -0.001 0.000 0.299 429 F C 2.313 177.951 175.800 -0.270 0.000 1.090 429 F CA 0.743 58.530 58.000 -0.356 0.000 1.307 429 F CB -0.662 37.972 39.000 -0.611 0.000 1.019 429 F HN 0.139 nan 8.300 nan 0.000 0.489 430 F N -0.291 119.790 119.950 0.218 0.000 2.186 430 F HA -0.190 4.337 4.527 -0.001 0.000 0.299 430 F C 2.782 178.618 175.800 0.060 0.000 1.090 430 F CA 1.535 59.653 58.000 0.196 0.000 1.307 430 F CB -1.023 38.185 39.000 0.347 0.000 1.019 430 F HN -0.094 nan 8.300 nan 0.000 0.489 431 S N 0.395 116.202 115.700 0.178 0.000 2.374 431 S HA -0.209 4.260 4.470 -0.001 0.000 0.227 431 S C 2.117 176.696 174.600 -0.035 0.000 1.037 431 S CA 1.662 59.885 58.200 0.039 0.000 1.024 431 S CB -0.521 62.679 63.200 0.001 0.000 0.861 431 S HN 0.356 nan 8.310 nan 0.000 0.456 432 I N 0.898 121.387 120.570 -0.135 0.000 2.493 432 I HA -0.102 4.067 4.170 -0.001 0.000 0.254 432 I C 2.019 178.094 176.117 -0.069 0.000 1.160 432 I CA 0.780 61.986 61.300 -0.156 0.000 1.445 432 I CB -0.261 37.563 38.000 -0.293 0.000 1.086 432 I HN 0.299 nan 8.210 nan 0.000 0.433 433 L N 0.018 121.216 121.223 -0.043 0.000 2.217 433 L HA -0.135 4.204 4.340 -0.001 0.000 0.211 433 L C 2.427 179.332 176.870 0.059 0.000 1.107 433 L CA 0.862 55.706 54.840 0.007 0.000 0.783 433 L CB -0.264 41.786 42.059 -0.014 0.000 0.919 433 L HN 0.254 nan 8.230 nan 0.000 0.442 434 L N -0.440 120.828 121.223 0.076 0.000 2.027 434 L HA -0.177 4.163 4.340 -0.001 0.000 0.206 434 L C 2.884 179.775 176.870 0.034 0.000 1.074 434 L CA 1.262 56.144 54.840 0.070 0.000 0.745 434 L CB -0.655 41.441 42.059 0.062 0.000 0.898 434 L HN 0.225 nan 8.230 nan 0.000 0.433 435 A N -0.760 122.067 122.820 0.012 0.000 1.908 435 A HA -0.210 4.109 4.320 -0.001 0.000 0.218 435 A C 2.146 179.737 177.584 0.011 0.000 1.181 435 A CA 1.416 53.454 52.037 0.002 0.000 0.627 435 A CB -0.313 18.678 19.000 -0.015 0.000 0.818 435 A HN 0.449 nan 8.150 nan 0.000 0.445 436 Q N -1.132 118.678 119.800 0.017 0.000 2.424 436 Q HA 0.038 4.377 4.340 -0.001 0.000 0.204 436 Q C -0.327 175.694 176.000 0.035 0.000 0.933 436 Q CA 0.683 56.502 55.803 0.026 0.000 0.929 436 Q CB 0.031 28.791 28.738 0.036 0.000 1.037 436 Q HN 0.795 nan 8.270 nan 0.000 0.511 437 E N 0.362 120.587 120.200 0.041 0.000 2.637 437 E HA -0.217 4.132 4.350 -0.001 0.000 0.265 437 E C -0.268 176.367 176.600 0.060 0.000 1.073 437 E CA 0.244 56.674 56.400 0.051 0.000 0.778 437 E CB -1.074 28.650 29.700 0.040 0.000 1.362 437 E HN 0.416 nan 8.360 nan 0.000 0.413 438 Q N 0.109 119.948 119.800 0.066 0.000 2.286 438 Q HA 0.116 4.455 4.340 -0.001 0.000 0.281 438 Q C 1.129 177.185 176.000 0.094 0.000 0.897 438 Q CA -0.240 55.609 55.803 0.077 0.000 1.023 438 Q CB 0.380 29.167 28.738 0.082 0.000 1.151 438 Q HN 0.205 nan 8.270 nan 0.000 0.445 439 L N 0.800 122.086 121.223 0.105 0.000 2.465 439 L HA -0.114 4.225 4.340 -0.001 0.000 0.224 439 L C 0.734 177.689 176.870 0.143 0.000 1.145 439 L CA 1.725 56.651 54.840 0.143 0.000 0.834 439 L CB 0.276 42.442 42.059 0.179 0.000 0.944 439 L HN 0.220 nan 8.230 nan 0.000 0.451 440 E N -2.013 118.254 120.200 0.113 0.000 2.601 440 E HA 0.108 4.458 4.350 -0.001 0.000 0.219 440 E C 0.435 177.090 176.600 0.093 0.000 0.964 440 E CA -0.143 56.319 56.400 0.103 0.000 1.050 440 E CB -0.151 29.601 29.700 0.086 0.000 1.068 440 E HN 0.128 nan 8.360 nan 0.000 0.496 441 K N 2.143 122.599 120.400 0.094 0.000 2.412 441 K HA 0.357 4.676 4.320 -0.001 0.000 0.284 441 K C -0.170 176.489 176.600 0.099 0.000 1.046 441 K CA -0.142 56.198 56.287 0.089 0.000 0.999 441 K CB 0.397 32.950 32.500 0.088 0.000 0.941 441 K HN 0.123 nan 8.250 nan 0.000 0.474 442 A N 5.179 128.052 122.820 0.090 0.000 2.462 442 A HA 0.364 4.684 4.320 -0.001 0.000 0.243 442 A C -0.489 177.151 177.584 0.094 0.000 1.076 442 A CA -0.236 51.855 52.037 0.090 0.000 0.773 442 A CB 0.097 19.150 19.000 0.088 0.000 1.010 442 A HN 0.754 nan 8.150 nan 0.000 0.493 443 L N 1.479 122.750 121.223 0.081 0.000 2.371 443 L HA 0.446 4.786 4.340 -0.001 0.000 0.262 443 L C -0.515 176.374 176.870 0.030 0.000 1.006 443 L CA -1.080 53.802 54.840 0.070 0.000 0.818 443 L CB 1.846 43.956 42.059 0.085 0.000 1.354 443 L HN 0.566 nan 8.230 nan 0.000 0.415 444 D N 0.445 120.860 120.400 0.024 0.000 2.354 444 D HA 0.600 5.239 4.640 -0.001 0.000 0.247 444 D C -0.525 175.720 176.300 -0.092 0.000 1.138 444 D CA 0.132 54.136 54.000 0.007 0.000 0.958 444 D CB 1.886 42.706 40.800 0.032 0.000 1.144 444 D HN 0.726 nan 8.370 nan 0.000 0.458 445 C N -1.105 118.127 119.300 -0.113 0.000 3.231 445 C HA 0.534 4.994 4.460 -0.001 0.000 0.343 445 C C -1.543 173.339 174.990 -0.179 0.000 1.349 445 C CA -0.965 57.944 59.018 -0.182 0.000 1.209 445 C CB 1.268 28.860 27.740 -0.246 0.000 1.475 445 C HN 0.577 nan 8.230 nan 0.000 0.460 446 Q N 0.444 120.136 119.800 -0.179 0.000 2.375 446 Q HA 0.791 5.130 4.340 -0.001 0.000 0.271 446 Q C -1.430 174.484 176.000 -0.144 0.000 1.074 446 Q CA -0.535 55.146 55.803 -0.203 0.000 0.808 446 Q CB 2.816 31.459 28.738 -0.160 0.000 1.327 446 Q HN 0.716 nan 8.270 nan 0.000 0.441 447 I N 2.462 122.920 120.570 -0.186 0.000 2.466 447 I HA 0.186 4.355 4.170 -0.001 0.000 0.289 447 I C -0.725 175.417 176.117 0.043 0.000 1.026 447 I CA -0.782 60.485 61.300 -0.054 0.000 1.078 447 I CB 1.216 39.180 38.000 -0.061 0.000 1.249 447 I HN 0.695 nan 8.210 nan 0.000 0.429 448 Y N 5.039 125.358 120.300 0.032 0.000 4.396 448 Y HA -0.322 4.227 4.550 -0.001 0.000 0.216 448 Y C 1.413 177.183 175.900 -0.215 0.000 1.080 448 Y CA 1.302 59.386 58.100 -0.027 0.000 1.811 448 Y CB -1.935 36.544 38.460 0.032 0.000 1.591 448 Y HN 0.963 nan 8.280 nan 0.000 0.626 449 G N -2.267 106.521 108.800 -0.020 0.000 2.799 449 G HA2 0.082 4.042 3.960 -0.001 0.000 0.200 449 G HA3 0.082 4.042 3.960 -0.001 0.000 0.200 449 G C 0.433 175.237 174.900 -0.161 0.000 1.206 449 G CA -0.129 44.917 45.100 -0.090 0.000 0.827 449 G HN 1.302 nan 8.290 nan 0.000 0.511 450 A N 0.263 122.934 122.820 -0.249 0.000 2.462 450 A HA 0.512 4.831 4.320 -0.001 0.000 0.243 450 A C 0.800 177.938 177.584 -0.743 0.000 1.076 450 A CA 0.816 52.559 52.037 -0.491 0.000 0.773 450 A CB 0.328 18.937 19.000 -0.651 0.000 1.010 450 A HN 1.707 nan 8.150 nan 0.000 0.493 451 C N 4.073 123.037 119.300 -0.559 0.000 2.325 451 C HA 0.691 5.150 4.460 -0.001 0.000 0.347 451 C C -0.769 173.861 174.990 -0.601 0.000 1.263 451 C CA -0.543 58.236 59.018 -0.398 0.000 1.806 451 C CB -1.743 25.995 27.740 -0.002 0.000 2.405 451 C HN 0.637 nan 8.230 nan 0.000 0.537 452 Y N 2.879 122.994 120.300 -0.308 0.000 2.528 452 Y HA 0.544 5.093 4.550 -0.001 0.000 0.335 452 Y C 0.562 176.354 175.900 -0.179 0.000 1.093 452 Y CA -0.643 57.222 58.100 -0.392 0.000 1.134 452 Y CB 1.531 39.672 38.460 -0.533 0.000 1.253 452 Y HN 0.586 nan 8.280 nan 0.000 0.478 453 S N 2.324 118.061 115.700 0.062 0.000 2.437 453 S HA 0.795 5.264 4.470 -0.001 0.000 0.305 453 S C -1.047 173.596 174.600 0.071 0.000 1.109 453 S CA -0.364 57.896 58.200 0.100 0.000 1.099 453 S CB -0.190 63.103 63.200 0.156 0.000 1.004 453 S HN 0.524 nan 8.310 nan 0.000 0.475 454 I N 3.372 123.976 120.570 0.057 0.000 2.686 454 I HA 0.385 4.554 4.170 -0.001 0.000 0.295 454 I C -0.469 175.691 176.117 0.072 0.000 1.114 454 I CA -0.643 60.693 61.300 0.060 0.000 1.038 454 I CB 2.435 40.455 38.000 0.034 0.000 1.238 454 I HN 0.558 nan 8.210 nan 0.000 0.420 455 E N 6.202 126.456 120.200 0.089 0.000 2.174 455 E HA 0.244 4.594 4.350 -0.001 0.000 0.282 455 E C -1.870 174.809 176.600 0.131 0.000 0.992 455 E CA -1.619 54.843 56.400 0.104 0.000 0.803 455 E CB 1.766 31.524 29.700 0.097 0.000 1.090 455 E HN 0.288 nan 8.360 nan 0.000 0.396 456 P HA -0.210 nan 4.420 nan 0.000 0.216 456 P C 0.973 178.461 177.300 0.314 0.000 1.154 456 P CA 1.260 64.480 63.100 0.200 0.000 0.865 456 P CB 0.210 31.990 31.700 0.133 0.000 0.789 457 L N -0.948 120.430 121.223 0.259 0.000 2.353 457 L HA -0.146 4.193 4.340 -0.001 0.000 0.220 457 L C 1.760 178.732 176.870 0.170 0.000 1.133 457 L CA 1.186 56.168 54.840 0.237 0.000 0.798 457 L CB -0.780 41.377 42.059 0.164 0.000 0.922 457 L HN 0.026 nan 8.230 nan 0.000 0.445 458 D N 0.048 120.538 120.400 0.150 0.000 2.234 458 D HA -0.083 4.556 4.640 -0.001 0.000 0.205 458 D C 2.386 178.759 176.300 0.120 0.000 0.962 458 D CA 0.638 54.701 54.000 0.104 0.000 0.855 458 D CB 0.095 40.947 40.800 0.088 0.000 0.951 458 D HN 0.288 nan 8.370 nan 0.000 0.500 459 L N 0.980 122.317 121.223 0.190 0.000 2.082 459 L HA -0.248 4.091 4.340 -0.001 0.000 0.223 459 L C -0.463 176.525 176.870 0.195 0.000 1.086 459 L CA 1.922 56.895 54.840 0.222 0.000 0.793 459 L CB -1.663 40.602 42.059 0.344 0.000 0.896 459 L HN 0.076 nan 8.230 nan 0.000 0.441 460 P HA -0.223 nan 4.420 nan 0.000 0.216 460 P C 1.417 178.774 177.300 0.095 0.000 1.157 460 P CA 1.535 64.686 63.100 0.084 0.000 0.880 460 P CB 0.027 31.646 31.700 -0.134 0.000 0.791 461 Q N -1.126 118.679 119.800 0.008 0.000 2.083 461 Q HA -0.069 4.271 4.340 -0.001 0.000 0.198 461 Q C 2.217 178.199 176.000 -0.029 0.000 0.969 461 Q CA 1.148 56.934 55.803 -0.028 0.000 0.838 461 Q CB -0.689 28.017 28.738 -0.053 0.000 0.900 461 Q HN 0.253 nan 8.270 nan 0.000 0.436 462 I N 0.406 120.971 120.570 -0.009 0.000 2.163 462 I HA -0.301 3.868 4.170 -0.001 0.000 0.243 462 I C 2.144 178.227 176.117 -0.056 0.000 1.085 462 I CA 1.255 62.520 61.300 -0.058 0.000 1.347 462 I CB -0.370 37.666 38.000 0.061 0.000 1.044 462 I HN 0.216 nan 8.210 nan 0.000 0.408 463 I N 0.637 121.241 120.570 0.057 0.000 2.113 463 I HA -0.318 3.851 4.170 -0.001 0.000 0.238 463 I C 2.695 178.776 176.117 -0.059 0.000 1.070 463 I CA 1.669 63.003 61.300 0.057 0.000 1.332 463 I CB -0.482 37.626 38.000 0.180 0.000 1.044 463 I HN 0.298 nan 8.210 nan 0.000 0.402 464 E N 0.982 121.178 120.200 -0.006 0.000 2.147 464 E HA -0.268 4.081 4.350 -0.001 0.000 0.199 464 E C 2.220 178.760 176.600 -0.101 0.000 1.005 464 E CA 1.244 57.613 56.400 -0.052 0.000 0.810 464 E CB 0.103 29.847 29.700 0.074 0.000 0.736 464 E HN 0.260 nan 8.360 nan 0.000 0.460 465 R N -0.206 120.213 120.500 -0.136 0.000 2.193 465 R HA 0.036 4.375 4.340 -0.001 0.000 0.213 465 R C 2.120 178.268 176.300 -0.254 0.000 1.055 465 R CA 0.518 56.499 56.100 -0.198 0.000 0.995 465 R CB -0.090 30.051 30.300 -0.264 0.000 0.893 465 R HN 0.365 nan 8.270 nan 0.000 0.459 466 L N -0.982 120.046 121.223 -0.326 0.000 2.515 466 L HA 0.082 4.421 4.340 -0.001 0.000 0.223 466 L C 1.330 177.812 176.870 -0.647 0.000 1.079 466 L CA 0.540 55.080 54.840 -0.499 0.000 0.857 466 L CB 0.082 41.752 42.059 -0.647 0.000 1.050 466 L HN 0.191 nan 8.230 nan 0.000 0.476 467 H N -1.194 117.803 119.070 -0.122 0.000 3.436 467 H HA 0.365 4.920 4.556 -0.001 0.000 0.244 467 H C 0.901 176.144 175.328 -0.143 0.000 1.009 467 H CA 0.826 56.797 56.048 -0.129 0.000 1.129 467 H CB 1.243 30.913 29.762 -0.153 0.000 1.473 467 H HN 0.187 nan 8.280 nan 0.000 0.510 468 G N 0.928 109.685 108.800 -0.072 0.000 2.603 468 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.686 468 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.686 468 G C 0.632 175.434 174.900 -0.163 0.000 1.286 468 G CA -0.168 44.882 45.100 -0.083 0.000 0.871 468 G HN 0.156 nan 8.290 nan 0.000 0.568 469 L N 0.876 122.062 121.223 -0.062 0.000 2.187 469 L HA -0.120 4.219 4.340 -0.001 0.000 0.213 469 L C 3.189 180.012 176.870 -0.079 0.000 1.100 469 L CA 2.232 57.081 54.840 0.015 0.000 0.765 469 L CB -0.568 41.588 42.059 0.162 0.000 0.904 469 L HN 0.869 nan 8.230 nan 0.000 0.437 470 S N 0.081 115.717 115.700 -0.106 0.000 2.440 470 S HA -0.155 4.314 4.470 -0.001 0.000 0.238 470 S C 1.980 176.455 174.600 -0.208 0.000 1.010 470 S CA 0.807 58.935 58.200 -0.120 0.000 0.972 470 S CB -0.435 62.694 63.200 -0.118 0.000 0.774 470 S HN 0.389 nan 8.310 nan 0.000 0.501 471 A N 0.014 122.611 122.820 -0.372 0.000 2.239 471 A HA 0.317 4.637 4.320 -0.001 0.000 0.209 471 A C 1.213 178.590 177.584 -0.345 0.000 1.171 471 A CA 0.516 52.292 52.037 -0.436 0.000 0.768 471 A CB -0.688 18.005 19.000 -0.511 0.000 0.790 471 A HN 0.567 nan 8.150 nan 0.000 0.478 472 F N -1.056 118.920 119.950 0.042 0.000 2.727 472 F HA 0.131 4.658 4.527 -0.001 0.000 0.302 472 F C 1.855 177.706 175.800 0.085 0.000 1.107 472 F CA 0.292 58.348 58.000 0.093 0.000 1.277 472 F CB 0.017 39.107 39.000 0.149 0.000 1.079 472 F HN 0.196 nan 8.300 nan 0.000 0.594 473 S N -0.311 115.488 115.700 0.166 0.000 2.749 473 S HA 0.364 4.834 4.470 -0.001 0.000 0.246 473 S C 0.051 174.661 174.600 0.017 0.000 1.023 473 S CA -0.318 57.960 58.200 0.129 0.000 1.012 473 S CB -0.687 62.583 63.200 0.117 0.000 0.942 473 S HN 0.040 nan 8.310 nan 0.000 0.531 474 L N 3.152 124.306 121.223 -0.115 0.000 2.426 474 L HA 0.508 4.847 4.340 -0.001 0.000 0.271 474 L C 0.539 177.226 176.870 -0.305 0.000 1.169 474 L CA -0.208 54.407 54.840 -0.376 0.000 0.836 474 L CB 0.125 41.839 42.059 -0.575 0.000 1.112 474 L HN 0.631 nan 8.230 nan 0.000 0.465 475 H N -1.567 117.275 119.070 -0.381 0.000 2.918 475 H HA 0.346 4.901 4.556 -0.001 0.000 0.303 475 H C -0.206 174.986 175.328 -0.225 0.000 1.380 475 H CA -1.029 54.891 56.048 -0.213 0.000 1.134 475 H CB 0.949 30.709 29.762 -0.005 0.000 1.842 475 H HN 0.375 nan 8.280 nan 0.000 0.533 476 S N -0.581 115.287 115.700 0.279 0.000 3.631 476 S HA -0.223 4.246 4.470 -0.001 0.000 0.366 476 S C -0.666 173.985 174.600 0.084 0.000 0.993 476 S CA 0.476 58.826 58.200 0.250 0.000 1.167 476 S CB -2.345 61.112 63.200 0.428 0.000 0.909 476 S HN 0.521 nan 8.310 nan 0.000 0.478 477 Y N 2.183 122.497 120.300 0.024 0.000 2.578 477 Y HA 0.188 4.738 4.550 -0.001 0.000 0.339 477 Y C 1.444 177.365 175.900 0.036 0.000 1.231 477 Y CA 0.502 58.599 58.100 -0.004 0.000 1.461 477 Y CB 0.314 38.772 38.460 -0.003 0.000 1.323 477 Y HN 0.506 nan 8.280 nan 0.000 0.590 478 S N 2.507 118.315 115.700 0.179 0.000 2.560 478 S HA 0.017 4.486 4.470 -0.001 0.000 0.276 478 S C -1.944 172.729 174.600 0.121 0.000 1.350 478 S CA -0.977 57.292 58.200 0.115 0.000 1.024 478 S CB 0.847 64.095 63.200 0.079 0.000 0.864 478 S HN 0.495 nan 8.310 nan 0.000 0.536 479 P HA 0.105 nan 4.420 nan 0.000 0.221 479 P C 1.668 179.004 177.300 0.061 0.000 1.150 479 P CA 1.210 64.354 63.100 0.074 0.000 0.800 479 P CB -0.393 31.343 31.700 0.060 0.000 0.787 480 G N 0.287 109.120 108.800 0.055 0.000 2.421 480 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.216 480 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.216 480 G C 1.656 176.582 174.900 0.042 0.000 1.171 480 G CA 0.828 45.950 45.100 0.038 0.000 0.775 480 G HN 0.231 nan 8.290 nan 0.000 0.543 481 E N 0.917 121.159 120.200 0.070 0.000 2.017 481 E HA -0.106 4.243 4.350 -0.001 0.000 0.193 481 E C 2.514 179.153 176.600 0.066 0.000 0.997 481 E CA 1.070 57.522 56.400 0.086 0.000 0.804 481 E CB -0.506 29.301 29.700 0.177 0.000 0.757 481 E HN 0.490 nan 8.360 nan 0.000 0.448 482 I N 0.918 121.531 120.570 0.071 0.000 2.145 482 I HA -0.354 3.816 4.170 -0.001 0.000 0.244 482 I C 2.271 178.408 176.117 0.032 0.000 1.075 482 I CA 1.462 62.786 61.300 0.040 0.000 1.332 482 I CB -0.646 37.389 38.000 0.058 0.000 1.033 482 I HN 0.202 nan 8.210 nan 0.000 0.410 483 N N 0.718 119.440 118.700 0.035 0.000 2.166 483 N HA -0.202 4.537 4.740 -0.001 0.000 0.186 483 N C 1.958 177.476 175.510 0.012 0.000 1.019 483 N CA 1.236 54.301 53.050 0.025 0.000 0.856 483 N CB -0.298 38.205 38.487 0.026 0.000 0.993 483 N HN 0.384 nan 8.380 nan 0.000 0.426 484 R N 0.747 121.251 120.500 0.005 0.000 2.075 484 R HA -0.028 4.311 4.340 -0.001 0.000 0.232 484 R C 2.005 178.285 176.300 -0.034 0.000 1.126 484 R CA 0.916 57.005 56.100 -0.019 0.000 0.963 484 R CB -0.134 30.146 30.300 -0.032 0.000 0.858 484 R HN -0.065 nan 8.270 nan 0.000 0.435 485 V N 1.308 121.212 119.914 -0.017 0.000 2.287 485 V HA -0.254 3.865 4.120 -0.001 0.000 0.248 485 V C 2.520 178.610 176.094 -0.008 0.000 1.053 485 V CA 1.962 64.250 62.300 -0.020 0.000 1.027 485 V CB -0.869 30.975 31.823 0.035 0.000 0.646 485 V HN 0.569 nan 8.190 nan 0.000 0.447 486 A N -0.086 122.741 122.820 0.011 0.000 1.865 486 A HA -0.246 4.073 4.320 -0.001 0.000 0.217 486 A C 2.492 180.086 177.584 0.016 0.000 1.191 486 A CA 2.532 54.584 52.037 0.024 0.000 0.623 486 A CB -0.919 18.099 19.000 0.030 0.000 0.826 486 A HN 0.524 nan 8.150 nan 0.000 0.444 487 S N -1.026 114.678 115.700 0.007 0.000 2.351 487 S HA -0.273 4.196 4.470 -0.001 0.000 0.220 487 S C 2.096 176.696 174.600 0.000 0.000 1.035 487 S CA 1.421 59.624 58.200 0.006 0.000 1.031 487 S CB -1.217 61.984 63.200 0.002 0.000 0.928 487 S HN 0.832 nan 8.310 nan 0.000 0.433 488 C N 2.155 121.443 119.300 -0.020 0.000 2.396 488 C HA -0.122 4.337 4.460 -0.001 0.000 0.277 488 C C 2.445 177.425 174.990 -0.018 0.000 1.231 488 C CA 0.911 59.910 59.018 -0.032 0.000 1.775 488 C CB -1.765 25.924 27.740 -0.084 0.000 2.036 488 C HN 0.571 nan 8.230 nan 0.000 0.484 489 L N 0.046 121.264 121.223 -0.009 0.000 2.027 489 L HA -0.102 4.237 4.340 -0.001 0.000 0.206 489 L C 3.106 179.968 176.870 -0.013 0.000 1.074 489 L CA 1.805 56.650 54.840 0.007 0.000 0.745 489 L CB -0.843 41.245 42.059 0.049 0.000 0.898 489 L HN 0.308 nan 8.230 nan 0.000 0.433 490 R N 0.232 120.732 120.500 0.001 0.000 2.103 490 R HA -0.231 4.108 4.340 -0.001 0.000 0.242 490 R C 2.331 178.630 176.300 -0.002 0.000 1.142 490 R CA 1.689 57.788 56.100 -0.002 0.000 0.960 490 R CB -0.280 30.036 30.300 0.026 0.000 0.858 490 R HN 0.304 nan 8.270 nan 0.000 0.439 491 K N 0.669 121.086 120.400 0.028 0.000 1.978 491 K HA -0.177 4.142 4.320 -0.001 0.000 0.214 491 K C 1.771 178.441 176.600 0.117 0.000 1.049 491 K CA 1.486 57.825 56.287 0.088 0.000 0.939 491 K CB -0.070 32.469 32.500 0.064 0.000 0.721 491 K HN -0.015 nan 8.250 nan 0.000 0.441 492 L N -0.125 121.109 121.223 0.018 0.000 2.376 492 L HA 0.082 4.421 4.340 -0.001 0.000 0.219 492 L C 1.410 178.109 176.870 -0.286 0.000 1.133 492 L CA 1.606 56.450 54.840 0.007 0.000 0.816 492 L CB -0.273 41.805 42.059 0.032 0.000 0.933 492 L HN 0.665 nan 8.230 nan 0.000 0.449 493 G N -1.162 107.322 108.800 -0.527 0.000 2.131 493 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.223 493 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.223 493 G C 0.195 174.970 174.900 -0.207 0.000 0.990 493 G CA 0.008 44.691 45.100 -0.695 0.000 0.671 493 G HN 0.108 nan 8.290 nan 0.000 0.521 494 V N 1.417 121.288 119.914 -0.071 0.000 2.572 494 V HA 0.336 4.455 4.120 -0.001 0.000 0.291 494 V C -1.064 175.106 176.094 0.126 0.000 1.039 494 V CA -1.117 61.233 62.300 0.084 0.000 1.055 494 V CB 1.044 32.946 31.823 0.132 0.000 0.969 494 V HN 0.168 nan 8.190 nan 0.000 0.482 495 P HA 0.095 nan 4.420 nan 0.000 0.266 495 P C -2.328 175.085 177.300 0.188 0.000 1.193 495 P CA -0.716 62.418 63.100 0.058 0.000 0.770 495 P CB -0.220 31.382 31.700 -0.164 0.000 0.836 496 P HA -0.017 nan 4.420 nan 0.000 0.270 496 P C 0.778 178.245 177.300 0.279 0.000 1.227 496 P CA 0.223 63.415 63.100 0.154 0.000 0.788 496 P CB 0.700 32.447 31.700 0.079 0.000 0.926 497 L N 0.577 121.962 121.223 0.270 0.000 2.141 497 L HA -0.169 4.170 4.340 -0.001 0.000 0.209 497 L C 2.936 179.991 176.870 0.308 0.000 1.094 497 L CA 1.494 56.537 54.840 0.337 0.000 0.763 497 L CB -0.764 41.407 42.059 0.186 0.000 0.908 497 L HN 0.473 nan 8.230 nan 0.000 0.437 498 R N 0.047 120.664 120.500 0.196 0.000 2.091 498 R HA -0.125 4.214 4.340 -0.001 0.000 0.238 498 R C 1.984 178.381 176.300 0.161 0.000 1.136 498 R CA 1.628 57.827 56.100 0.165 0.000 0.959 498 R CB -1.249 29.106 30.300 0.092 0.000 0.856 498 R HN 0.147 nan 8.270 nan 0.000 0.437 499 V N 0.511 120.473 119.914 0.081 0.000 2.392 499 V HA -0.218 3.902 4.120 -0.001 0.000 0.249 499 V C 2.052 178.132 176.094 -0.024 0.000 1.059 499 V CA 1.971 64.248 62.300 -0.039 0.000 1.051 499 V CB -0.774 30.917 31.823 -0.220 0.000 0.658 499 V HN 0.378 nan 8.190 nan 0.000 0.455 500 W N 0.097 121.502 121.300 0.175 0.000 2.381 500 W HA -0.083 4.576 4.660 -0.001 0.000 0.301 500 W C 2.779 179.482 176.519 0.307 0.000 1.205 500 W CA 1.483 58.965 57.345 0.228 0.000 1.285 500 W CB -0.337 29.261 29.460 0.231 0.000 1.133 500 W HN 0.017 nan 8.180 nan 0.000 0.521 501 R N -0.363 120.464 120.500 0.546 0.000 2.127 501 R HA -0.238 4.101 4.340 -0.001 0.000 0.238 501 R C 1.993 178.442 176.300 0.248 0.000 1.134 501 R CA 1.980 58.371 56.100 0.486 0.000 0.975 501 R CB -0.606 29.964 30.300 0.451 0.000 0.865 501 R HN 0.243 nan 8.270 nan 0.000 0.447 502 H N 0.031 119.171 119.070 0.118 0.000 2.462 502 H HA 0.042 4.598 4.556 -0.001 0.000 0.292 502 H C 1.701 177.025 175.328 -0.007 0.000 1.049 502 H CA 1.527 57.590 56.048 0.026 0.000 1.334 502 H CB 0.288 30.047 29.762 -0.004 0.000 1.404 502 H HN 0.162 nan 8.280 nan 0.000 0.544 503 R N -0.753 119.769 120.500 0.037 0.000 2.112 503 R HA 0.183 4.523 4.340 -0.001 0.000 0.216 503 R C 2.430 178.689 176.300 -0.069 0.000 1.080 503 R CA 0.722 56.803 56.100 -0.031 0.000 0.996 503 R CB 0.043 30.360 30.300 0.029 0.000 0.902 503 R HN 0.257 nan 8.270 nan 0.000 0.449 504 A N 1.345 124.181 122.820 0.028 0.000 1.969 504 A HA -0.136 4.183 4.320 -0.001 0.000 0.218 504 A C 2.054 179.390 177.584 -0.413 0.000 1.169 504 A CA 1.035 52.948 52.037 -0.207 0.000 0.635 504 A CB -0.303 18.772 19.000 0.125 0.000 0.810 504 A HN 0.155 nan 8.150 nan 0.000 0.445 505 R N -0.638 119.694 120.500 -0.280 0.000 2.096 505 R HA -0.115 4.224 4.340 -0.001 0.000 0.235 505 R C 2.655 178.783 176.300 -0.287 0.000 1.127 505 R CA 1.588 57.519 56.100 -0.282 0.000 0.968 505 R CB -0.247 29.915 30.300 -0.231 0.000 0.861 505 R HN 0.588 nan 8.270 nan 0.000 0.440 506 S N -0.245 115.282 115.700 -0.289 0.000 2.357 506 S HA -0.064 4.405 4.470 -0.001 0.000 0.221 506 S C 1.955 176.406 174.600 -0.248 0.000 1.031 506 S CA 1.096 59.149 58.200 -0.244 0.000 0.982 506 S CB -0.043 63.026 63.200 -0.218 0.000 0.853 506 S HN 0.121 nan 8.310 nan 0.000 0.458 507 V N 2.591 122.312 119.914 -0.323 0.000 2.490 507 V HA -0.100 4.019 4.120 -0.001 0.000 0.250 507 V C 2.701 178.522 176.094 -0.454 0.000 1.061 507 V CA 2.059 64.134 62.300 -0.376 0.000 1.064 507 V CB -0.936 30.582 31.823 -0.510 0.000 0.670 507 V HN 0.482 nan 8.190 nan 0.000 0.461 508 R N 0.628 120.800 120.500 -0.546 0.000 2.070 508 R HA -0.177 4.163 4.340 -0.001 0.000 0.233 508 R C 2.370 178.542 176.300 -0.214 0.000 1.137 508 R CA 1.812 57.692 56.100 -0.366 0.000 0.945 508 R CB -0.542 29.577 30.300 -0.302 0.000 0.845 508 R HN 0.453 nan 8.270 nan 0.000 0.430 509 A N 0.818 123.519 122.820 -0.199 0.000 1.940 509 A HA -0.198 4.121 4.320 -0.001 0.000 0.219 509 A C 2.211 179.729 177.584 -0.110 0.000 1.176 509 A CA 1.678 53.633 52.037 -0.137 0.000 0.631 509 A CB -0.445 18.476 19.000 -0.133 0.000 0.814 509 A HN 0.343 nan 8.150 nan 0.000 0.446 510 R N -0.677 119.750 120.500 -0.122 0.000 2.075 510 R HA 0.056 4.396 4.340 -0.001 0.000 0.232 510 R C 2.082 178.350 176.300 -0.054 0.000 1.126 510 R CA 1.311 57.364 56.100 -0.079 0.000 0.963 510 R CB -0.434 29.821 30.300 -0.074 0.000 0.858 510 R HN 0.550 nan 8.270 nan 0.000 0.435 511 L N 0.072 121.252 121.223 -0.071 0.000 2.056 511 L HA -0.177 4.162 4.340 -0.001 0.000 0.207 511 L C 2.206 179.058 176.870 -0.029 0.000 1.078 511 L CA 1.140 55.959 54.840 -0.035 0.000 0.749 511 L CB -0.424 41.599 42.059 -0.060 0.000 0.901 511 L HN 0.227 nan 8.230 nan 0.000 0.433 512 L N -0.777 120.416 121.223 -0.050 0.000 2.013 512 L HA -0.260 4.079 4.340 -0.001 0.000 0.212 512 L C 2.692 179.546 176.870 -0.027 0.000 1.073 512 L CA 1.376 56.192 54.840 -0.040 0.000 0.753 512 L CB -0.502 41.523 42.059 -0.057 0.000 0.890 512 L HN 0.222 nan 8.230 nan 0.000 0.432 513 S N -0.854 114.828 115.700 -0.031 0.000 2.419 513 S HA -0.175 4.294 4.470 -0.001 0.000 0.233 513 S C 1.813 176.408 174.600 -0.008 0.000 1.016 513 S CA 0.911 59.098 58.200 -0.022 0.000 0.974 513 S CB -0.171 63.014 63.200 -0.026 0.000 0.786 513 S HN 0.443 nan 8.310 nan 0.000 0.492 514 Q N 0.665 120.464 119.800 -0.001 0.000 2.436 514 Q HA 0.132 4.471 4.340 -0.001 0.000 0.209 514 Q C 1.516 177.525 176.000 0.015 0.000 0.965 514 Q CA 0.600 56.411 55.803 0.013 0.000 0.910 514 Q CB -0.765 27.990 28.738 0.028 0.000 0.980 514 Q HN 0.552 nan 8.270 nan 0.000 0.491 515 G N 0.337 109.142 108.800 0.009 0.000 2.682 515 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.256 515 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.256 515 G C 0.524 175.436 174.900 0.020 0.000 1.333 515 G CA 0.376 45.482 45.100 0.011 0.000 0.904 515 G HN 0.767 nan 8.290 nan 0.000 0.569 516 G N -1.145 107.667 108.800 0.020 0.000 2.578 516 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.275 516 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.275 516 G C 0.970 175.887 174.900 0.030 0.000 1.271 516 G CA 1.303 46.418 45.100 0.025 0.000 0.941 516 G HN 1.513 nan 8.290 nan 0.000 0.564 517 R N 0.194 120.716 120.500 0.037 0.000 2.193 517 R HA 0.136 4.475 4.340 -0.001 0.000 0.229 517 R C 3.081 179.415 176.300 0.056 0.000 1.110 517 R CA 2.049 58.175 56.100 0.042 0.000 0.988 517 R CB -0.462 29.870 30.300 0.054 0.000 0.871 517 R HN 0.684 nan 8.270 nan 0.000 0.458 518 A N 0.578 123.436 122.820 0.064 0.000 1.874 518 A HA 0.014 4.333 4.320 -0.001 0.000 0.214 518 A C 2.307 179.908 177.584 0.028 0.000 1.189 518 A CA 1.197 53.275 52.037 0.069 0.000 0.615 518 A CB -0.677 18.370 19.000 0.080 0.000 0.830 518 A HN 0.346 nan 8.150 nan 0.000 0.443 519 A N -0.661 122.173 122.820 0.023 0.000 1.986 519 A HA -0.151 4.168 4.320 -0.001 0.000 0.220 519 A C 2.254 179.851 177.584 0.022 0.000 1.171 519 A CA 2.474 54.517 52.037 0.011 0.000 0.640 519 A CB -1.261 17.746 19.000 0.012 0.000 0.811 519 A HN 0.443 nan 8.150 nan 0.000 0.451 520 T N -1.071 113.504 114.554 0.035 0.000 2.812 520 T HA -0.144 4.206 4.350 -0.001 0.000 0.264 520 T C 1.917 176.645 174.700 0.048 0.000 1.042 520 T CA 1.359 63.499 62.100 0.067 0.000 1.140 520 T CB -0.623 68.248 68.868 0.005 0.000 0.870 520 T HN 0.603 nan 8.240 nan 0.000 0.445 521 C N 1.445 120.740 119.300 -0.008 0.000 2.413 521 C HA 0.003 4.462 4.460 -0.001 0.000 0.278 521 C C 3.139 178.081 174.990 -0.079 0.000 1.224 521 C CA 0.775 59.740 59.018 -0.088 0.000 1.732 521 C CB -1.477 26.167 27.740 -0.159 0.000 2.050 521 C HN 0.706 nan 8.230 nan 0.000 0.463 522 G N -0.329 108.450 108.800 -0.034 0.000 2.470 522 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.220 522 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.220 522 G C 1.633 176.538 174.900 0.009 0.000 1.121 522 G CA 1.025 46.153 45.100 0.046 0.000 0.766 522 G HN 0.669 nan 8.290 nan 0.000 0.553 523 K N -0.951 119.437 120.400 -0.020 0.000 2.007 523 K HA -0.012 4.307 4.320 -0.001 0.000 0.206 523 K C 1.992 178.466 176.600 -0.210 0.000 1.047 523 K CA 0.966 57.202 56.287 -0.085 0.000 0.937 523 K CB -0.167 32.323 32.500 -0.018 0.000 0.718 523 K HN 0.366 nan 8.250 nan 0.000 0.438 524 Y N 0.232 120.342 120.300 -0.316 0.000 2.436 524 Y HA 0.111 4.660 4.550 -0.001 0.000 0.288 524 Y C 1.741 177.297 175.900 -0.574 0.000 1.112 524 Y CA 0.417 58.137 58.100 -0.633 0.000 1.220 524 Y CB 0.266 38.047 38.460 -1.132 0.000 1.073 524 Y HN -0.038 nan 8.280 nan 0.000 0.552 525 L N -1.994 119.106 121.223 -0.205 0.000 2.341 525 L HA -0.044 4.295 4.340 -0.001 0.000 0.214 525 L C 0.617 177.291 176.870 -0.326 0.000 1.115 525 L CA 1.150 55.871 54.840 -0.198 0.000 0.820 525 L CB -0.157 41.690 42.059 -0.354 0.000 0.944 525 L HN 0.174 nan 8.230 nan 0.000 0.452 526 F N -1.835 118.082 119.950 -0.055 0.000 2.729 526 F HA 0.168 4.695 4.527 -0.001 0.000 0.315 526 F C 1.738 177.132 175.800 -0.676 0.000 1.102 526 F CA -0.343 57.368 58.000 -0.481 0.000 1.204 526 F CB -0.308 38.440 39.000 -0.421 0.000 1.052 526 F HN 0.013 nan 8.300 nan 0.000 0.551 527 N N 1.093 119.687 118.700 -0.176 0.000 2.651 527 N HA -0.169 4.570 4.740 -0.001 0.000 0.193 527 N C 1.361 176.840 175.510 -0.053 0.000 1.149 527 N CA 1.293 54.265 53.050 -0.129 0.000 0.933 527 N CB -0.007 38.414 38.487 -0.110 0.000 0.974 527 N HN 0.590 nan 8.380 nan 0.000 0.448 528 W N -1.066 120.284 121.300 0.084 0.000 2.942 528 W HA 0.357 5.016 4.660 -0.001 0.000 0.263 528 W C 1.321 177.909 176.519 0.115 0.000 1.296 528 W CA 0.211 57.615 57.345 0.098 0.000 1.504 528 W CB -0.560 28.967 29.460 0.111 0.000 1.096 528 W HN -0.041 nan 8.180 nan 0.000 0.639 529 A N 1.823 124.211 122.820 -0.720 0.000 2.119 529 A HA 0.167 4.487 4.320 -0.001 0.000 0.216 529 A C 1.232 178.692 177.584 -0.206 0.000 1.152 529 A CA 1.232 52.915 52.037 -0.590 0.000 0.708 529 A CB -0.891 17.581 19.000 -0.880 0.000 0.805 529 A HN 0.090 nan 8.150 nan 0.000 0.460 530 V N -2.792 117.026 119.914 -0.160 0.000 3.234 530 V HA 0.424 4.544 4.120 -0.001 0.000 0.317 530 V C 0.872 176.951 176.094 -0.026 0.000 1.081 530 V CA -0.243 62.005 62.300 -0.087 0.000 1.037 530 V CB 1.403 33.167 31.823 -0.098 0.000 1.148 530 V HN 0.467 nan 8.190 nan 0.000 0.453 531 K N -0.166 120.222 120.400 -0.020 0.000 2.141 531 K HA 0.154 4.473 4.320 -0.001 0.000 0.202 531 K C 0.784 177.377 176.600 -0.013 0.000 1.045 531 K CA 0.681 56.965 56.287 -0.004 0.000 0.971 531 K CB -0.449 32.050 32.500 -0.002 0.000 0.795 531 K HN 0.604 nan 8.250 nan 0.000 0.459 532 T N 3.213 117.752 114.554 -0.024 0.000 3.455 532 T HA 0.175 4.524 4.350 -0.001 0.000 0.286 532 T C -0.394 174.285 174.700 -0.035 0.000 1.157 532 T CA -0.217 61.867 62.100 -0.027 0.000 1.090 532 T CB 0.135 68.985 68.868 -0.030 0.000 1.112 532 T HN 0.033 nan 8.240 nan 0.000 0.779 533 K N 1.800 122.185 120.400 -0.026 0.000 2.508 533 K HA 0.216 4.535 4.320 -0.001 0.000 0.273 533 K C 0.093 176.661 176.600 -0.052 0.000 0.964 533 K CA -0.009 56.260 56.287 -0.031 0.000 0.948 533 K CB 0.140 32.636 32.500 -0.007 0.000 0.917 533 K HN 0.268 nan 8.250 nan 0.000 0.512 534 L N 1.474 122.648 121.223 -0.081 0.000 2.331 534 L HA 0.298 4.637 4.340 -0.001 0.000 0.268 534 L C 1.367 178.169 176.870 -0.113 0.000 1.015 534 L CA -0.157 54.619 54.840 -0.107 0.000 0.807 534 L CB 1.286 43.251 42.059 -0.157 0.000 1.293 534 L HN 0.727 nan 8.230 nan 0.000 0.451 535 K N 0.883 121.218 120.400 -0.108 0.000 1.977 535 K HA -0.096 4.223 4.320 -0.001 0.000 0.218 535 K C -0.412 176.121 176.600 -0.112 0.000 1.051 535 K CA 0.659 56.897 56.287 -0.082 0.000 0.953 535 K CB -0.489 31.979 32.500 -0.054 0.000 0.727 535 K HN 0.194 nan 8.250 nan 0.000 0.445 536 L N 1.942 123.025 121.223 -0.234 0.000 2.932 536 L HA -0.161 4.179 4.340 -0.001 0.000 0.604 536 L C -0.244 176.667 176.870 0.069 0.000 1.002 536 L CA 1.481 56.120 54.840 -0.336 0.000 1.316 536 L CB -1.812 40.024 42.059 -0.371 0.000 1.668 536 L HN 0.896 nan 8.230 nan 0.000 0.803 537 T N 1.358 116.064 114.554 0.252 0.000 2.864 537 T HA 0.922 5.271 4.350 -0.001 0.000 0.289 537 T C -2.669 172.181 174.700 0.251 0.000 1.082 537 T CA -2.197 60.030 62.100 0.211 0.000 1.009 537 T CB 2.272 71.215 68.868 0.126 0.000 1.234 537 T HN 0.221 nan 8.240 nan 0.000 0.526 538 P HA 0.209 nan 4.420 nan 0.000 0.267 538 P C -0.736 176.589 177.300 0.042 0.000 1.195 538 P CA -0.026 63.126 63.100 0.087 0.000 0.773 538 P CB 0.226 31.956 31.700 0.051 0.000 0.837 539 I N 4.037 124.594 120.570 -0.022 0.000 2.330 539 I HA 0.162 4.331 4.170 -0.001 0.000 0.289 539 I C -1.412 174.676 176.117 -0.048 0.000 1.001 539 I CA -2.225 59.029 61.300 -0.078 0.000 1.193 539 I CB 1.779 39.676 38.000 -0.172 0.000 1.345 539 I HN 0.289 nan 8.210 nan 0.000 0.461 540 P HA -0.254 nan 4.420 nan 0.000 0.217 540 P C 1.208 178.488 177.300 -0.034 0.000 1.162 540 P CA 1.411 64.496 63.100 -0.025 0.000 0.901 540 P CB 0.301 31.992 31.700 -0.016 0.000 0.793 541 A N -1.304 121.492 122.820 -0.040 0.000 2.238 541 A HA 0.271 4.590 4.320 -0.001 0.000 0.208 541 A C 2.056 179.606 177.584 -0.056 0.000 1.177 541 A CA 0.990 53.002 52.037 -0.042 0.000 0.804 541 A CB -1.083 17.896 19.000 -0.034 0.000 0.823 541 A HN 0.183 nan 8.150 nan 0.000 0.482 542 A N 0.399 123.181 122.820 -0.064 0.000 1.968 542 A HA -0.012 4.307 4.320 -0.001 0.000 0.217 542 A C 2.288 179.818 177.584 -0.089 0.000 1.169 542 A CA 1.681 53.671 52.037 -0.079 0.000 0.638 542 A CB -0.613 18.343 19.000 -0.072 0.000 0.812 542 A HN 0.869 nan 8.150 nan 0.000 0.446 543 S N -0.840 114.817 115.700 -0.071 0.000 2.562 543 S HA -0.025 4.445 4.470 -0.001 0.000 0.221 543 S C 1.623 176.178 174.600 -0.075 0.000 0.975 543 S CA 0.726 58.883 58.200 -0.072 0.000 0.918 543 S CB -0.125 63.045 63.200 -0.051 0.000 0.772 543 S HN 0.672 nan 8.310 nan 0.000 0.531 544 Q N 0.674 120.432 119.800 -0.071 0.000 2.123 544 Q HA 0.251 4.591 4.340 -0.001 0.000 0.196 544 Q C 0.288 176.237 176.000 -0.084 0.000 0.958 544 Q CA 0.216 55.980 55.803 -0.065 0.000 0.841 544 Q CB -0.290 28.419 28.738 -0.049 0.000 0.915 544 Q HN 0.527 nan 8.270 nan 0.000 0.455 545 L N 2.197 123.356 121.223 -0.106 0.000 2.581 545 L HA -0.108 4.231 4.340 -0.001 0.000 0.299 545 L C 0.409 177.175 176.870 -0.174 0.000 1.261 545 L CA 0.307 55.063 54.840 -0.140 0.000 0.866 545 L CB 0.026 41.967 42.059 -0.196 0.000 1.113 545 L HN 0.145 nan 8.230 nan 0.000 0.514 546 D N 3.541 123.842 120.400 -0.165 0.000 2.485 546 D HA 0.240 4.879 4.640 -0.001 0.000 0.229 546 D C -0.284 175.857 176.300 -0.265 0.000 1.101 546 D CA -0.400 53.501 54.000 -0.166 0.000 0.906 546 D CB 1.048 41.791 40.800 -0.095 0.000 1.019 546 D HN 0.242 nan 8.370 nan 0.000 0.516 547 L N 2.910 123.881 121.223 -0.419 0.000 3.062 547 L HA 0.116 4.455 4.340 -0.001 0.000 0.255 547 L C 0.670 177.340 176.870 -0.333 0.000 1.274 547 L CA -0.146 54.246 54.840 -0.748 0.000 1.047 547 L CB 0.159 41.551 42.059 -1.112 0.000 1.402 547 L HN 0.226 nan 8.230 nan 0.000 0.550 548 S N -0.942 114.671 115.700 -0.144 0.000 2.543 548 S HA 0.700 5.169 4.470 -0.001 0.000 0.299 548 S C 0.908 175.524 174.600 0.026 0.000 1.125 548 S CA 0.095 58.269 58.200 -0.044 0.000 1.098 548 S CB 0.773 63.946 63.200 -0.044 0.000 1.063 548 S HN 0.458 nan 8.310 nan 0.000 0.493 549 G N 2.211 111.074 108.800 0.106 0.000 2.559 549 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.202 549 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.202 549 G C 0.303 175.382 174.900 0.299 0.000 0.992 549 G CA -0.380 44.843 45.100 0.206 0.000 0.764 549 G HN 0.567 nan 8.290 nan 0.000 0.525 550 W N 0.570 121.740 121.300 -0.216 0.000 2.453 550 W HA 0.500 5.159 4.660 -0.001 0.000 0.289 550 W C 0.669 176.577 176.519 -1.018 0.000 1.215 550 W CA 1.050 57.992 57.345 -0.672 0.000 1.297 550 W CB -0.001 28.753 29.460 -1.177 0.000 1.113 550 W HN 0.143 nan 8.180 nan 0.000 0.551 551 F N -0.828 119.281 119.950 0.266 0.000 2.708 551 F HA 0.315 4.842 4.527 -0.001 0.000 0.344 551 F C 0.247 176.121 175.800 0.123 0.000 1.447 551 F CA -0.635 57.470 58.000 0.175 0.000 1.140 551 F CB -0.123 38.950 39.000 0.123 0.000 1.657 551 F HN -0.418 nan 8.300 nan 0.000 0.598 552 V N 0.250 120.289 119.914 0.209 0.000 3.539 552 V HA 0.707 4.827 4.120 -0.001 0.000 0.262 552 V C 0.554 176.721 176.094 0.123 0.000 1.381 552 V CA 0.403 62.789 62.300 0.143 0.000 1.060 552 V CB 0.802 32.714 31.823 0.148 0.000 0.842 552 V HN 0.493 nan 8.190 nan 0.000 0.445 553 A N -0.465 122.385 122.820 0.049 0.000 2.585 553 A HA 0.654 4.973 4.320 -0.001 0.000 0.299 553 A C -0.227 176.976 177.584 -0.635 0.000 1.047 553 A CA 0.138 52.099 52.037 -0.126 0.000 0.723 553 A CB 0.390 19.295 19.000 -0.158 0.000 1.275 553 A HN 0.394 nan 8.150 nan 0.000 0.408 554 G N -0.545 107.734 108.800 -0.870 0.000 2.537 554 G HA2 0.513 4.472 3.960 -0.001 0.000 0.273 554 G HA3 0.513 4.472 3.960 -0.001 0.000 0.273 554 G C -0.561 173.608 174.900 -1.219 0.000 1.189 554 G CA -0.076 44.228 45.100 -1.327 0.000 0.881 554 G HN 0.775 nan 8.290 nan 0.000 0.535 555 Y N -0.374 119.708 120.300 -0.363 0.000 2.777 555 Y HA 0.280 4.830 4.550 -0.001 0.000 0.248 555 Y C 1.187 176.982 175.900 -0.174 0.000 1.127 555 Y CA -1.016 56.953 58.100 -0.217 0.000 1.149 555 Y CB 0.336 38.691 38.460 -0.175 0.000 1.230 555 Y HN 0.461 nan 8.280 nan 0.000 0.586 556 S N 1.451 117.074 115.700 -0.128 0.000 2.611 556 S HA 0.345 4.814 4.470 -0.001 0.000 0.317 556 S C 1.218 175.816 174.600 -0.004 0.000 1.208 556 S CA 1.357 59.520 58.200 -0.061 0.000 1.217 556 S CB -0.635 62.528 63.200 -0.061 0.000 1.085 556 S HN 1.053 nan 8.310 nan 0.000 0.529 557 G N 3.392 112.196 108.800 0.006 0.000 2.203 557 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.231 557 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.231 557 G C 0.497 175.429 174.900 0.054 0.000 1.058 557 G CA 0.024 45.141 45.100 0.029 0.000 0.781 557 G HN 1.259 nan 8.290 nan 0.000 0.496 558 G N -0.768 108.064 108.800 0.053 0.000 3.342 558 G HA2 0.461 4.420 3.960 -0.001 0.000 0.252 558 G HA3 0.461 4.420 3.960 -0.001 0.000 0.252 558 G C 0.212 175.142 174.900 0.048 0.000 1.011 558 G CA 1.007 46.157 45.100 0.084 0.000 0.869 558 G HN 1.306 nan 8.290 nan 0.000 0.514 559 D N 0.109 120.511 120.400 0.003 0.000 2.872 559 D HA -0.147 4.493 4.640 -0.001 0.000 0.248 559 D C -0.292 175.967 176.300 -0.069 0.000 1.104 559 D CA 0.314 54.299 54.000 -0.025 0.000 0.784 559 D CB -1.126 39.683 40.800 0.015 0.000 1.036 559 D HN 0.111 nan 8.370 nan 0.000 0.426 560 I N 1.648 122.146 120.570 -0.120 0.000 2.608 560 I HA 0.581 4.751 4.170 -0.001 0.000 0.295 560 I C -0.247 175.744 176.117 -0.209 0.000 1.049 560 I CA -0.770 60.385 61.300 -0.242 0.000 1.063 560 I CB 1.627 39.329 38.000 -0.497 0.000 1.248 560 I HN 0.242 nan 8.210 nan 0.000 0.424 561 Y N 4.873 124.937 120.300 -0.394 0.000 2.581 561 Y HA 0.527 5.076 4.550 -0.001 0.000 0.337 561 Y C -1.335 174.426 175.900 -0.232 0.000 1.108 561 Y CA -0.484 57.411 58.100 -0.342 0.000 1.033 561 Y CB 1.833 40.177 38.460 -0.193 0.000 1.318 561 Y HN 0.680 nan 8.280 nan 0.000 0.459 562 H N 1.212 119.725 119.070 -0.929 0.000 2.941 562 H HA 0.510 5.066 4.556 -0.001 0.000 0.344 562 H C -0.302 174.582 175.328 -0.739 0.000 1.235 562 H CA -0.865 54.862 56.048 -0.535 0.000 1.149 562 H CB 1.951 31.638 29.762 -0.125 0.000 1.885 562 H HN 0.884 nan 8.280 nan 0.000 0.558 563 S N 0.000 115.634 115.700 -0.111 0.000 2.498 563 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 563 S CA 0.000 58.180 58.200 -0.033 0.000 1.107 563 S CB 0.000 63.208 63.200 0.013 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517