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 3h5s_1_A DATA FIRST_RESID 1 DATA SEQUENCE HMSYTWTGAL 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 AASRLDLSGW DATA SEQUENCE FVAGYSGGDI YH 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 H HA 0.000 nan 4.556 nan 0.000 0.296 1 H C 0.000 175.298 175.328 -0.050 0.000 0.993 1 H CA 0.000 56.027 56.048 -0.035 0.000 1.023 1 H CB 0.000 29.747 29.762 -0.026 0.000 1.292 2 M N 0.869 120.466 119.600 -0.005 0.000 2.250 2 M HA 0.168 4.347 4.480 -0.502 0.000 0.344 2 M C 1.679 177.887 176.300 -0.153 0.000 1.150 2 M CA 0.123 55.394 55.300 -0.048 0.000 1.147 2 M CB 1.106 33.685 32.600 -0.034 0.000 1.498 2 M HN 0.565 nan 8.290 nan 0.000 0.461 3 S N 1.935 117.472 115.700 -0.271 0.000 2.382 3 S HA -0.080 4.089 4.470 -0.502 0.000 0.228 3 S C 0.069 174.271 174.600 -0.663 0.000 1.027 3 S CA 0.967 58.884 58.200 -0.472 0.000 0.991 3 S CB -0.190 62.633 63.200 -0.628 0.000 0.823 3 S HN 0.646 nan 8.310 nan 0.000 0.469 4 Y N 0.674 120.812 120.300 -0.269 0.000 2.571 4 Y HA 0.551 4.799 4.550 -0.502 0.000 0.341 4 Y C -0.021 175.557 175.900 -0.537 0.000 1.076 4 Y CA -0.900 56.906 58.100 -0.490 0.000 1.029 4 Y CB 1.936 39.946 38.460 -0.751 0.000 1.308 4 Y HN 0.140 nan 8.280 nan 0.000 0.461 5 T N -2.318 111.960 114.554 -0.460 0.000 2.908 5 T HA 0.740 4.789 4.350 -0.502 0.000 0.290 5 T C -1.326 173.029 174.700 -0.574 0.000 1.034 5 T CA -0.789 61.080 62.100 -0.385 0.000 1.010 5 T CB 1.329 70.117 68.868 -0.133 0.000 1.068 5 T HN 0.555 nan 8.240 nan 0.000 0.481 6 W N 0.547 121.900 121.300 0.090 0.000 2.844 6 W HA 0.482 4.840 4.660 -0.503 0.000 0.340 6 W C 1.364 177.910 176.519 0.045 0.000 1.093 6 W CA -0.738 56.644 57.345 0.062 0.000 1.212 6 W CB 2.185 31.666 29.460 0.035 0.000 1.422 6 W HN 0.917 nan 8.180 nan 0.000 0.515 7 T N -2.393 112.344 114.554 0.305 0.000 3.044 7 T HA 0.310 4.359 4.350 -0.502 0.000 0.255 7 T C 1.460 176.244 174.700 0.140 0.000 1.073 7 T CA 0.969 63.173 62.100 0.174 0.000 1.125 7 T CB 0.034 68.980 68.868 0.130 0.000 0.908 7 T HN 1.261 nan 8.240 nan 0.000 0.480 8 G N 1.327 110.215 108.800 0.146 0.000 2.218 8 G HA2 0.017 3.676 3.960 -0.502 0.000 0.216 8 G HA3 0.017 3.676 3.960 -0.502 0.000 0.216 8 G C 0.392 175.316 174.900 0.039 0.000 0.994 8 G CA -0.116 45.022 45.100 0.065 0.000 0.637 8 G HN 1.136 nan 8.290 nan 0.000 0.505 9 A N 0.688 123.546 122.820 0.063 0.000 2.520 9 A HA 0.599 4.618 4.320 -0.502 0.000 0.235 9 A C 0.800 178.394 177.584 0.017 0.000 1.065 9 A CA 0.353 52.416 52.037 0.043 0.000 0.764 9 A CB 0.179 19.214 19.000 0.057 0.000 1.002 9 A HN 0.927 nan 8.150 nan 0.000 0.502 10 L N 1.611 122.833 121.223 -0.002 0.000 2.418 10 L HA 0.266 4.305 4.340 -0.502 0.000 0.265 10 L C 0.045 176.904 176.870 -0.017 0.000 1.143 10 L CA -0.233 54.590 54.840 -0.028 0.000 0.809 10 L CB 0.761 42.806 42.059 -0.022 0.000 1.124 10 L HN 0.564 nan 8.230 nan 0.000 0.456 11 I N 1.789 122.334 120.570 -0.042 0.000 2.363 11 I HA 0.091 3.960 4.170 -0.502 0.000 0.292 11 I C 0.522 176.635 176.117 -0.007 0.000 1.075 11 I CA -0.033 61.256 61.300 -0.019 0.000 1.333 11 I CB 0.685 38.659 38.000 -0.043 0.000 1.415 11 I HN 0.647 nan 8.210 nan 0.000 0.502 12 T N 4.920 119.480 114.554 0.009 0.000 2.943 12 T HA 0.604 4.653 4.350 -0.502 0.000 0.284 12 T C -2.434 172.282 174.700 0.026 0.000 1.015 12 T CA -1.958 60.150 62.100 0.014 0.000 1.042 12 T CB 1.750 70.626 68.868 0.013 0.000 1.055 12 T HN 0.252 nan 8.240 nan 0.000 0.500 13 P HA 0.374 nan 4.420 nan 0.000 0.278 13 P C 0.064 177.386 177.300 0.037 0.000 1.266 13 P CA -0.710 62.412 63.100 0.037 0.000 0.807 13 P CB 1.063 32.784 31.700 0.036 0.000 1.094 14 C N 0.124 119.450 119.300 0.043 0.000 2.518 14 C HA 0.457 4.615 4.460 -0.502 0.000 0.283 14 C C 1.403 176.412 174.990 0.032 0.000 1.351 14 C CA 0.951 59.992 59.018 0.038 0.000 1.745 14 C CB -0.554 27.212 27.740 0.044 0.000 2.107 14 C HN 0.681 nan 8.230 nan 0.000 0.502 15 A N -0.163 122.678 122.820 0.036 0.000 2.437 15 A HA 0.793 4.812 4.320 -0.502 0.000 0.292 15 A C -0.518 177.092 177.584 0.044 0.000 1.173 15 A CA 0.075 52.134 52.037 0.037 0.000 0.785 15 A CB 0.103 19.126 19.000 0.037 0.000 1.351 15 A HN 0.495 nan 8.150 nan 0.000 0.431 16 A N 0.097 122.946 122.820 0.048 0.000 2.511 16 A HA 0.492 4.510 4.320 -0.502 0.000 0.242 16 A C -0.025 177.603 177.584 0.073 0.000 1.069 16 A CA 0.262 52.333 52.037 0.056 0.000 0.763 16 A CB -0.294 18.739 19.000 0.055 0.000 1.001 16 A HN 0.667 nan 8.150 nan 0.000 0.498 17 E N 1.430 121.678 120.200 0.079 0.000 2.171 17 E HA 0.371 4.420 4.350 -0.502 0.000 0.271 17 E C -0.966 175.716 176.600 0.137 0.000 0.916 17 E CA -0.398 56.063 56.400 0.101 0.000 0.774 17 E CB 1.678 31.426 29.700 0.080 0.000 1.128 17 E HN 0.750 nan 8.360 nan 0.000 0.403 18 E N 0.906 121.234 120.200 0.213 0.000 2.179 18 E HA 0.180 4.229 4.350 -0.502 0.000 0.275 18 E C 0.063 176.896 176.600 0.388 0.000 0.945 18 E CA -0.268 56.302 56.400 0.284 0.000 0.792 18 E CB 1.582 31.481 29.700 0.331 0.000 1.125 18 E HN 0.531 nan 8.360 nan 0.000 0.397 19 S N 2.242 118.146 115.700 0.341 0.000 2.514 19 S HA 0.106 4.274 4.470 -0.502 0.000 0.223 19 S C 0.696 175.593 174.600 0.494 0.000 1.046 19 S CA -0.110 58.312 58.200 0.370 0.000 0.914 19 S CB 0.309 63.654 63.200 0.242 0.000 0.807 19 S HN 0.225 nan 8.310 nan 0.000 0.497 20 K N 1.401 122.011 120.400 0.350 0.000 2.205 20 K HA 0.342 4.361 4.320 -0.502 0.000 0.279 20 K C -0.822 175.822 176.600 0.074 0.000 1.027 20 K CA -0.711 55.717 56.287 0.235 0.000 0.932 20 K CB 0.867 33.435 32.500 0.113 0.000 1.032 20 K HN 0.196 nan 8.250 nan 0.000 0.466 21 L N 6.602 127.845 121.223 0.033 0.000 2.615 21 L HA 0.074 4.113 4.340 -0.502 0.000 0.271 21 L C -2.316 174.263 176.870 -0.485 0.000 1.183 21 L CA -0.807 53.822 54.840 -0.352 0.000 0.933 21 L CB 0.013 42.032 42.059 -0.068 0.000 1.199 21 L HN 0.448 nan 8.230 nan 0.000 0.487 22 P HA 0.194 nan 4.420 nan 0.000 0.271 22 P C -0.994 176.065 177.300 -0.401 0.000 1.216 22 P CA -0.032 62.769 63.100 -0.498 0.000 0.776 22 P CB 0.546 31.913 31.700 -0.554 0.000 0.881 23 I N 2.945 123.340 120.570 -0.292 0.000 2.433 23 I HA 0.389 4.258 4.170 -0.502 0.000 0.292 23 I C 0.429 176.440 176.117 -0.177 0.000 1.001 23 I CA -0.680 60.456 61.300 -0.274 0.000 1.119 23 I CB 1.412 39.247 38.000 -0.275 0.000 1.289 23 I HN 0.483 nan 8.210 nan 0.000 0.438 24 N N 4.176 122.787 118.700 -0.147 0.000 3.283 24 N HA 0.444 4.883 4.740 -0.502 0.000 0.338 24 N C 0.373 175.844 175.510 -0.066 0.000 1.517 24 N CA -0.416 52.576 53.050 -0.097 0.000 0.733 24 N CB 0.646 39.075 38.487 -0.097 0.000 1.797 24 N HN 0.383 nan 8.380 nan 0.000 0.637 25 A N -0.661 122.131 122.820 -0.048 0.000 2.172 25 A HA 0.150 4.169 4.320 -0.502 0.000 0.216 25 A C 1.646 179.216 177.584 -0.024 0.000 1.154 25 A CA 0.804 52.822 52.037 -0.031 0.000 0.701 25 A CB -0.897 18.087 19.000 -0.027 0.000 0.789 25 A HN 0.533 nan 8.150 nan 0.000 0.465 26 L N -1.673 119.532 121.223 -0.029 0.000 2.556 26 L HA 0.057 4.095 4.340 -0.502 0.000 0.226 26 L C 2.415 179.311 176.870 0.044 0.000 1.089 26 L CA 0.412 55.252 54.840 -0.000 0.000 0.864 26 L CB -0.126 41.913 42.059 -0.034 0.000 1.067 26 L HN 0.196 nan 8.230 nan 0.000 0.477 27 S N 0.814 116.513 115.700 -0.001 0.000 2.353 27 S HA -0.166 4.003 4.470 -0.502 0.000 0.222 27 S C 1.688 176.330 174.600 0.070 0.000 1.035 27 S CA 1.666 59.860 58.200 -0.010 0.000 1.025 27 S CB -0.285 62.828 63.200 -0.145 0.000 0.902 27 S HN 0.455 nan 8.310 nan 0.000 0.440 28 N N 1.491 120.249 118.700 0.098 0.000 2.364 28 N HA -0.052 4.387 4.740 -0.502 0.000 0.183 28 N C 1.846 177.385 175.510 0.049 0.000 1.022 28 N CA 1.169 54.291 53.050 0.121 0.000 0.883 28 N CB -0.512 38.032 38.487 0.095 0.000 0.965 28 N HN 0.584 nan 8.380 nan 0.000 0.438 29 S N -0.349 115.375 115.700 0.040 0.000 2.447 29 S HA -0.052 4.117 4.470 -0.502 0.000 0.233 29 S C 1.767 176.390 174.600 0.038 0.000 1.006 29 S CA 0.472 58.676 58.200 0.007 0.000 0.957 29 S CB -0.138 63.082 63.200 0.034 0.000 0.773 29 S HN 0.234 nan 8.310 nan 0.000 0.507 30 L N -0.293 120.968 121.223 0.063 0.000 2.362 30 L HA 0.607 4.646 4.340 -0.502 0.000 0.204 30 L C 0.048 176.968 176.870 0.084 0.000 1.060 30 L CA 0.761 55.635 54.840 0.056 0.000 0.827 30 L CB 0.298 42.154 42.059 -0.338 0.000 1.027 30 L HN 0.475 nan 8.230 nan 0.000 0.474 31 L N -0.793 120.471 121.223 0.067 0.000 2.614 31 L HA 0.368 4.406 4.340 -0.502 0.000 0.264 31 L C 0.274 177.207 176.870 0.106 0.000 0.940 31 L CA -0.251 54.630 54.840 0.068 0.000 0.903 31 L CB 1.416 43.535 42.059 0.100 0.000 1.306 31 L HN -0.017 nan 8.230 nan 0.000 0.410 32 R N 1.359 121.802 120.500 -0.095 0.000 2.225 32 R HA 0.189 4.227 4.340 -0.502 0.000 0.194 32 R C -0.016 176.050 176.300 -0.390 0.000 0.957 32 R CA 0.121 56.060 56.100 -0.270 0.000 1.042 32 R CB 0.205 30.378 30.300 -0.213 0.000 1.004 32 R HN 0.637 nan 8.270 nan 0.000 0.509 33 H N 0.791 119.768 119.070 -0.154 0.000 2.970 33 H HA 0.085 4.339 4.556 -0.502 0.000 0.226 33 H C 0.474 175.813 175.328 0.019 0.000 1.909 33 H CA -0.303 55.687 56.048 -0.096 0.000 1.388 33 H CB -0.071 29.682 29.762 -0.015 0.000 1.773 33 H HN 0.340 nan 8.280 nan 0.000 0.559 34 H N 0.436 119.597 119.070 0.152 0.000 2.421 34 H HA -0.114 4.141 4.556 -0.502 0.000 0.298 34 H C 1.456 176.859 175.328 0.124 0.000 1.087 34 H CA 0.381 56.494 56.048 0.109 0.000 1.330 34 H CB 0.371 30.172 29.762 0.064 0.000 1.388 34 H HN 0.483 nan 8.280 nan 0.000 0.526 35 N N 0.433 119.263 118.700 0.217 0.000 2.520 35 N HA -0.070 4.369 4.740 -0.502 0.000 0.185 35 N C 1.340 176.958 175.510 0.179 0.000 1.068 35 N CA 0.778 53.927 53.050 0.166 0.000 0.911 35 N CB 0.030 38.575 38.487 0.096 0.000 0.961 35 N HN 0.492 nan 8.380 nan 0.000 0.446 36 M N -0.137 119.580 119.600 0.197 0.000 2.506 36 M HA 0.055 4.234 4.480 -0.502 0.000 0.260 36 M C 0.004 176.474 176.300 0.283 0.000 1.104 36 M CA 0.452 55.878 55.300 0.209 0.000 1.112 36 M CB 0.469 33.178 32.600 0.183 0.000 1.401 36 M HN -0.231 nan 8.290 nan 0.000 0.473 37 V N 1.020 121.110 119.914 0.294 0.000 2.435 37 V HA 0.357 4.176 4.120 -0.502 0.000 0.290 37 V C -0.773 175.574 176.094 0.421 0.000 1.030 37 V CA -0.790 61.691 62.300 0.303 0.000 0.881 37 V CB 0.780 32.760 31.823 0.262 0.000 0.983 37 V HN 0.311 nan 8.190 nan 0.000 0.445 38 Y N 2.356 122.819 120.300 0.273 0.000 2.615 38 Y HA 0.926 5.175 4.550 -0.502 0.000 0.341 38 Y C -0.400 175.586 175.900 0.143 0.000 1.089 38 Y CA -1.459 56.811 58.100 0.284 0.000 1.049 38 Y CB 1.474 40.053 38.460 0.197 0.000 1.296 38 Y HN 0.721 nan 8.280 nan 0.000 0.470 39 A N 1.254 124.112 122.820 0.063 0.000 2.340 39 A HA 0.702 4.721 4.320 -0.502 0.000 0.331 39 A C -0.104 177.550 177.584 0.116 0.000 1.140 39 A CA -0.345 51.523 52.037 -0.282 0.000 0.801 39 A CB 0.512 19.043 19.000 -0.781 0.000 1.234 39 A HN 1.089 nan 8.150 nan 0.000 0.469 40 T N -0.214 114.396 114.554 0.094 0.000 2.913 40 T HA 0.585 4.634 4.350 -0.502 0.000 0.297 40 T C 0.308 175.064 174.700 0.093 0.000 1.029 40 T CA 0.322 62.537 62.100 0.193 0.000 1.104 40 T CB 0.796 69.793 68.868 0.216 0.000 0.964 40 T HN 1.352 nan 8.240 nan 0.000 0.532 41 T N -1.777 112.836 114.554 0.098 0.000 2.887 41 T HA 0.473 4.522 4.350 -0.502 0.000 0.292 41 T C 1.448 176.178 174.700 0.049 0.000 1.087 41 T CA -0.245 61.895 62.100 0.067 0.000 1.009 41 T CB 1.312 70.226 68.868 0.076 0.000 1.203 41 T HN 0.794 nan 8.240 nan 0.000 0.518 42 S N 0.148 115.870 115.700 0.038 0.000 2.462 42 S HA -0.206 3.963 4.470 -0.502 0.000 0.243 42 S C 1.893 176.496 174.600 0.006 0.000 1.003 42 S CA 1.051 59.264 58.200 0.020 0.000 0.970 42 S CB -0.731 62.481 63.200 0.020 0.000 0.762 42 S HN 0.770 nan 8.310 nan 0.000 0.510 43 R N 1.446 121.956 120.500 0.016 0.000 2.120 43 R HA -0.058 3.980 4.340 -0.502 0.000 0.234 43 R C 2.142 178.438 176.300 -0.008 0.000 1.123 43 R CA 1.536 57.640 56.100 0.006 0.000 0.975 43 R CB -0.348 29.964 30.300 0.020 0.000 0.866 43 R HN 0.701 nan 8.270 nan 0.000 0.446 44 S N -1.180 114.521 115.700 0.001 0.000 2.575 44 S HA 0.173 4.342 4.470 -0.502 0.000 0.215 44 S C 1.723 176.303 174.600 -0.034 0.000 0.966 44 S CA 0.240 58.433 58.200 -0.011 0.000 0.911 44 S CB 0.815 64.022 63.200 0.012 0.000 0.780 44 S HN 0.344 nan 8.310 nan 0.000 0.514 45 A N 2.083 124.875 122.820 -0.046 0.000 1.940 45 A HA 0.153 4.172 4.320 -0.502 0.000 0.219 45 A C 2.283 179.772 177.584 -0.158 0.000 1.176 45 A CA 1.520 53.506 52.037 -0.084 0.000 0.631 45 A CB -1.657 17.294 19.000 -0.082 0.000 0.814 45 A HN 0.647 nan 8.150 nan 0.000 0.446 46 G N -0.324 108.384 108.800 -0.153 0.000 2.422 46 G HA2 -0.149 3.510 3.960 -0.502 0.000 0.218 46 G HA3 -0.149 3.510 3.960 -0.502 0.000 0.218 46 G C 1.462 176.259 174.900 -0.172 0.000 1.146 46 G CA 1.220 46.201 45.100 -0.198 0.000 0.769 46 G HN 0.497 nan 8.290 nan 0.000 0.547 47 L N 0.478 121.637 121.223 -0.107 0.000 2.056 47 L HA 0.178 4.216 4.340 -0.502 0.000 0.207 47 L C 2.679 179.510 176.870 -0.065 0.000 1.078 47 L CA 1.797 56.593 54.840 -0.073 0.000 0.749 47 L CB -0.494 41.537 42.059 -0.046 0.000 0.901 47 L HN 0.184 nan 8.230 nan 0.000 0.433 48 R N -0.345 120.113 120.500 -0.071 0.000 2.096 48 R HA -0.151 3.888 4.340 -0.502 0.000 0.235 48 R C 2.249 178.499 176.300 -0.083 0.000 1.127 48 R CA 1.744 57.816 56.100 -0.046 0.000 0.968 48 R CB -0.472 29.809 30.300 -0.032 0.000 0.861 48 R HN 0.553 nan 8.270 nan 0.000 0.440 49 Q N -0.028 119.634 119.800 -0.231 0.000 2.096 49 Q HA -0.193 3.846 4.340 -0.502 0.000 0.204 49 Q C 1.950 177.859 176.000 -0.153 0.000 0.982 49 Q CA 2.160 57.713 55.803 -0.416 0.000 0.850 49 Q CB -0.072 28.096 28.738 -0.950 0.000 0.901 49 Q HN 0.342 nan 8.270 nan 0.000 0.422 50 K N 0.657 120.993 120.400 -0.107 0.000 2.026 50 K HA -0.145 3.873 4.320 -0.502 0.000 0.208 50 K C 1.998 178.667 176.600 0.116 0.000 1.048 50 K CA 1.273 57.569 56.287 0.016 0.000 0.929 50 K CB -0.023 32.473 32.500 -0.007 0.000 0.713 50 K HN 0.066 nan 8.250 nan 0.000 0.439 51 K N 0.642 121.101 120.400 0.098 0.000 2.147 51 K HA -0.098 3.921 4.320 -0.502 0.000 0.205 51 K C 1.929 178.717 176.600 0.313 0.000 1.049 51 K CA 1.503 57.886 56.287 0.159 0.000 0.936 51 K CB -0.024 32.538 32.500 0.103 0.000 0.722 51 K HN 0.148 nan 8.250 nan 0.000 0.446 52 V N -1.643 118.448 119.914 0.296 0.000 3.649 52 V HA 0.069 3.888 4.120 -0.502 0.000 0.275 52 V C 0.287 176.596 176.094 0.358 0.000 1.281 52 V CA 0.147 62.680 62.300 0.390 0.000 1.143 52 V CB 0.002 31.990 31.823 0.276 0.000 0.892 52 V HN -0.051 nan 8.190 nan 0.000 0.441 53 T N 4.309 119.103 114.554 0.401 0.000 2.801 53 T HA 0.730 4.779 4.350 -0.502 0.000 0.306 53 T C -0.773 174.135 174.700 0.346 0.000 1.020 53 T CA -0.064 62.239 62.100 0.338 0.000 0.948 53 T CB 0.249 69.410 68.868 0.488 0.000 0.962 53 T HN 0.615 nan 8.240 nan 0.000 0.465 54 F N -0.267 119.797 119.950 0.189 0.000 2.741 54 F HA 0.680 4.905 4.527 -0.504 0.000 0.313 54 F C -1.110 174.745 175.800 0.092 0.000 1.153 54 F CA -1.654 56.420 58.000 0.123 0.000 0.931 54 F CB 0.732 39.794 39.000 0.102 0.000 1.335 54 F HN 0.157 nan 8.300 nan 0.000 0.460 55 D N 0.724 121.316 120.400 0.319 0.000 2.304 55 D HA 0.475 4.814 4.640 -0.502 0.000 0.250 55 D C -0.901 175.557 176.300 0.263 0.000 1.107 55 D CA -0.074 54.047 54.000 0.202 0.000 0.885 55 D CB 0.916 41.812 40.800 0.161 0.000 1.192 55 D HN 0.542 nan 8.370 nan 0.000 0.436 56 R N 2.386 122.985 120.500 0.166 0.000 2.387 56 R HA 0.570 4.609 4.340 -0.502 0.000 0.314 56 R C -0.958 175.364 176.300 0.036 0.000 0.958 56 R CA -0.673 55.505 56.100 0.130 0.000 0.846 56 R CB 0.965 31.308 30.300 0.071 0.000 1.147 56 R HN 0.278 nan 8.270 nan 0.000 0.447 57 L N 1.917 123.152 121.223 0.019 0.000 2.329 57 L HA 0.501 4.540 4.340 -0.502 0.000 0.279 57 L C -0.372 176.463 176.870 -0.059 0.000 1.014 57 L CA -0.220 54.594 54.840 -0.043 0.000 0.814 57 L CB 1.817 43.871 42.059 -0.009 0.000 1.257 57 L HN 0.507 nan 8.230 nan 0.000 0.424 58 Q N 1.688 121.425 119.800 -0.105 0.000 2.292 58 Q HA 0.653 4.691 4.340 -0.502 0.000 0.270 58 Q C -1.723 174.219 176.000 -0.097 0.000 1.024 58 Q CA -0.476 55.269 55.803 -0.097 0.000 0.768 58 Q CB 2.537 31.195 28.738 -0.133 0.000 1.250 58 Q HN 0.440 nan 8.270 nan 0.000 0.447 59 V N 5.757 125.633 119.914 -0.062 0.000 2.326 59 V HA 0.398 4.217 4.120 -0.502 0.000 0.281 59 V C -0.520 175.561 176.094 -0.021 0.000 1.015 59 V CA -0.482 61.786 62.300 -0.052 0.000 0.823 59 V CB 1.202 32.997 31.823 -0.047 0.000 1.009 59 V HN 0.684 nan 8.190 nan 0.000 0.436 60 L N 5.849 127.018 121.223 -0.089 0.000 2.287 60 L HA 0.608 4.647 4.340 -0.502 0.000 0.287 60 L C -0.134 176.725 176.870 -0.019 0.000 1.022 60 L CA -0.529 54.211 54.840 -0.167 0.000 0.814 60 L CB 1.657 43.451 42.059 -0.442 0.000 1.217 60 L HN 0.688 nan 8.230 nan 0.000 0.420 61 D N 0.534 121.002 120.400 0.113 0.000 2.616 61 D HA 0.145 4.484 4.640 -0.502 0.000 0.260 61 D C 0.219 176.581 176.300 0.102 0.000 1.158 61 D CA -0.581 53.483 54.000 0.106 0.000 1.085 61 D CB 0.868 41.748 40.800 0.134 0.000 1.222 61 D HN 0.290 nan 8.370 nan 0.000 0.626 62 D N -1.316 119.083 120.400 -0.001 0.000 2.183 62 D HA -0.122 4.217 4.640 -0.502 0.000 0.203 62 D C 1.747 178.037 176.300 -0.017 0.000 0.969 62 D CA 0.900 54.875 54.000 -0.042 0.000 0.842 62 D CB -0.063 40.663 40.800 -0.123 0.000 0.957 62 D HN 0.409 nan 8.370 nan 0.000 0.484 63 H N -0.135 118.997 119.070 0.104 0.000 2.352 63 H HA -0.164 4.090 4.556 -0.503 0.000 0.299 63 H C 2.015 177.378 175.328 0.058 0.000 1.097 63 H CA 0.967 57.068 56.048 0.090 0.000 1.311 63 H CB -0.651 29.192 29.762 0.135 0.000 1.377 63 H HN 0.312 nan 8.280 nan 0.000 0.504 64 Y N 1.856 122.185 120.300 0.049 0.000 2.128 64 Y HA -0.222 4.030 4.550 -0.497 0.000 0.284 64 Y C 2.705 178.544 175.900 -0.102 0.000 1.154 64 Y CA 1.640 59.638 58.100 -0.169 0.000 1.149 64 Y CB -0.060 38.188 38.460 -0.352 0.000 0.976 64 Y HN -0.048 nan 8.280 nan 0.000 0.505 65 R N -0.067 120.486 120.500 0.089 0.000 2.115 65 R HA -0.121 3.918 4.340 -0.502 0.000 0.226 65 R C 1.756 178.026 176.300 -0.050 0.000 1.100 65 R CA 1.246 57.350 56.100 0.006 0.000 0.980 65 R CB -0.247 30.097 30.300 0.074 0.000 0.875 65 R HN 0.400 nan 8.270 nan 0.000 0.445 66 D N 0.187 120.577 120.400 -0.016 0.000 2.104 66 D HA -0.139 4.200 4.640 -0.502 0.000 0.194 66 D C 1.912 178.189 176.300 -0.038 0.000 0.994 66 D CA 1.144 55.138 54.000 -0.010 0.000 0.830 66 D CB -0.177 40.642 40.800 0.032 0.000 0.959 66 D HN 0.003 nan 8.370 nan 0.000 0.452 67 V N 0.939 120.810 119.914 -0.072 0.000 2.379 67 V HA -0.169 3.649 4.120 -0.502 0.000 0.245 67 V C 2.396 178.418 176.094 -0.120 0.000 1.044 67 V CA 0.803 63.051 62.300 -0.088 0.000 1.036 67 V CB -0.353 31.394 31.823 -0.126 0.000 0.664 67 V HN 0.123 nan 8.190 nan 0.000 0.453 68 L N 0.706 121.792 121.223 -0.230 0.000 2.012 68 L HA -0.205 3.834 4.340 -0.502 0.000 0.210 68 L C 2.408 179.206 176.870 -0.120 0.000 1.073 68 L CA 2.300 57.001 54.840 -0.231 0.000 0.748 68 L CB -0.886 40.966 42.059 -0.345 0.000 0.891 68 L HN 0.285 nan 8.230 nan 0.000 0.431 69 K N -0.522 119.825 120.400 -0.088 0.000 2.063 69 K HA -0.227 3.792 4.320 -0.502 0.000 0.208 69 K C 1.954 178.533 176.600 -0.035 0.000 1.048 69 K CA 1.956 58.213 56.287 -0.050 0.000 0.928 69 K CB -0.140 32.340 32.500 -0.033 0.000 0.713 69 K HN 0.503 nan 8.250 nan 0.000 0.442 70 E N 0.127 120.311 120.200 -0.026 0.000 2.077 70 E HA -0.208 3.841 4.350 -0.502 0.000 0.193 70 E C 2.086 178.681 176.600 -0.007 0.000 0.989 70 E CA 1.729 58.126 56.400 -0.006 0.000 0.800 70 E CB -0.087 29.620 29.700 0.012 0.000 0.746 70 E HN 0.366 nan 8.360 nan 0.000 0.452 71 M N 0.470 120.062 119.600 -0.013 0.000 2.117 71 M HA -0.177 4.002 4.480 -0.502 0.000 0.262 71 M C 2.101 178.373 176.300 -0.047 0.000 1.065 71 M CA 1.496 56.781 55.300 -0.025 0.000 1.114 71 M CB -0.139 32.445 32.600 -0.027 0.000 1.361 71 M HN -0.068 nan 8.290 nan 0.000 0.408 72 K N 0.291 120.660 120.400 -0.051 0.000 2.148 72 K HA -0.043 3.976 4.320 -0.502 0.000 0.204 72 K C 2.111 178.692 176.600 -0.031 0.000 1.050 72 K CA 1.212 57.472 56.287 -0.045 0.000 0.942 72 K CB -0.243 32.229 32.500 -0.046 0.000 0.724 72 K HN 0.290 nan 8.250 nan 0.000 0.446 73 A N 2.148 124.953 122.820 -0.025 0.000 1.865 73 A HA -0.233 3.786 4.320 -0.502 0.000 0.217 73 A C 1.876 179.449 177.584 -0.019 0.000 1.191 73 A CA 1.657 53.684 52.037 -0.017 0.000 0.623 73 A CB -0.320 18.673 19.000 -0.012 0.000 0.826 73 A HN 0.189 nan 8.150 nan 0.000 0.444 74 K N -0.354 120.031 120.400 -0.025 0.000 2.057 74 K HA -0.051 3.967 4.320 -0.502 0.000 0.207 74 K C 2.294 178.871 176.600 -0.040 0.000 1.049 74 K CA 1.093 57.361 56.287 -0.033 0.000 0.931 74 K CB -0.391 32.083 32.500 -0.044 0.000 0.714 74 K HN 0.431 nan 8.250 nan 0.000 0.440 75 A N 1.455 124.249 122.820 -0.043 0.000 1.978 75 A HA -0.162 3.857 4.320 -0.502 0.000 0.220 75 A C 2.100 179.673 177.584 -0.019 0.000 1.170 75 A CA 1.832 53.848 52.037 -0.036 0.000 0.636 75 A CB -0.508 18.471 19.000 -0.033 0.000 0.810 75 A HN 0.204 nan 8.150 nan 0.000 0.448 76 S N -0.399 115.292 115.700 -0.016 0.000 2.507 76 S HA -0.086 4.082 4.470 -0.502 0.000 0.235 76 S C 1.881 176.477 174.600 -0.007 0.000 0.988 76 S CA 1.452 59.647 58.200 -0.008 0.000 0.944 76 S CB -0.497 62.698 63.200 -0.007 0.000 0.762 76 S HN 0.916 nan 8.310 nan 0.000 0.526 77 T N -0.803 113.743 114.554 -0.013 0.000 3.081 77 T HA 0.159 4.207 4.350 -0.502 0.000 0.255 77 T C 0.578 175.270 174.700 -0.013 0.000 1.113 77 T CA -0.059 62.034 62.100 -0.012 0.000 1.082 77 T CB -0.337 68.522 68.868 -0.016 0.000 0.939 77 T HN 0.053 nan 8.240 nan 0.000 0.506 78 V N 2.143 122.047 119.914 -0.015 0.000 2.555 78 V HA 0.342 4.160 4.120 -0.502 0.000 0.286 78 V C 0.194 176.286 176.094 -0.004 0.000 1.044 78 V CA -0.734 61.557 62.300 -0.016 0.000 1.026 78 V CB 0.935 32.744 31.823 -0.024 0.000 0.981 78 V HN 0.406 nan 8.190 nan 0.000 0.480 79 K N 3.757 124.155 120.400 -0.003 0.000 2.235 79 K HA 0.744 4.762 4.320 -0.502 0.000 0.266 79 K C -0.504 176.100 176.600 0.005 0.000 0.980 79 K CA -0.340 55.950 56.287 0.005 0.000 0.849 79 K CB 1.377 33.881 32.500 0.007 0.000 1.098 79 K HN 0.846 nan 8.250 nan 0.000 0.445 80 A N 3.910 126.738 122.820 0.014 0.000 2.374 80 A HA 0.512 4.531 4.320 -0.502 0.000 0.317 80 A C -1.308 176.294 177.584 0.030 0.000 1.094 80 A CA -0.916 51.130 52.037 0.016 0.000 0.765 80 A CB 1.032 20.039 19.000 0.011 0.000 1.268 80 A HN 0.826 nan 8.150 nan 0.000 0.438 81 K N 1.509 121.930 120.400 0.035 0.000 2.156 81 K HA 0.667 4.686 4.320 -0.502 0.000 0.250 81 K C -1.337 175.292 176.600 0.048 0.000 0.955 81 K CA -0.720 55.590 56.287 0.038 0.000 0.855 81 K CB 1.315 33.834 32.500 0.032 0.000 1.101 81 K HN 0.395 nan 8.250 nan 0.000 0.434 82 L N 2.807 124.053 121.223 0.040 0.000 2.380 82 L HA 0.197 4.235 4.340 -0.502 0.000 0.273 82 L C -0.548 176.307 176.870 -0.027 0.000 1.138 82 L CA -0.445 54.407 54.840 0.021 0.000 0.832 82 L CB 0.492 42.564 42.059 0.021 0.000 1.124 82 L HN 0.613 nan 8.230 nan 0.000 0.454 83 L N 3.153 124.344 121.223 -0.054 0.000 2.417 83 L HA 0.311 4.350 4.340 -0.502 0.000 0.268 83 L C 0.674 177.435 176.870 -0.182 0.000 1.158 83 L CA 0.299 55.083 54.840 -0.094 0.000 0.819 83 L CB 1.005 43.006 42.059 -0.096 0.000 1.112 83 L HN 0.836 nan 8.230 nan 0.000 0.458 84 S N 1.418 117.025 115.700 -0.154 0.000 2.584 84 S HA 0.162 4.330 4.470 -0.502 0.000 0.270 84 S C 1.399 175.859 174.600 -0.232 0.000 1.346 84 S CA -0.673 57.417 58.200 -0.183 0.000 1.018 84 S CB 0.707 63.837 63.200 -0.118 0.000 0.899 84 S HN 0.344 nan 8.310 nan 0.000 0.542 85 V N 1.983 121.731 119.914 -0.276 0.000 2.317 85 V HA -0.226 3.593 4.120 -0.502 0.000 0.251 85 V C 2.579 178.544 176.094 -0.214 0.000 1.065 85 V CA 2.553 64.668 62.300 -0.310 0.000 1.049 85 V CB -1.332 30.238 31.823 -0.423 0.000 0.651 85 V HN 0.891 nan 8.190 nan 0.000 0.450 86 E N -0.182 119.921 120.200 -0.162 0.000 2.106 86 E HA -0.162 3.887 4.350 -0.502 0.000 0.192 86 E C 2.180 178.705 176.600 -0.124 0.000 0.984 86 E CA 1.087 57.413 56.400 -0.124 0.000 0.806 86 E CB -0.250 29.397 29.700 -0.089 0.000 0.750 86 E HN 0.682 nan 8.360 nan 0.000 0.458 87 E N 0.452 120.573 120.200 -0.132 0.000 2.077 87 E HA -0.169 3.880 4.350 -0.502 0.000 0.193 87 E C 2.057 178.542 176.600 -0.193 0.000 0.989 87 E CA 1.045 57.359 56.400 -0.143 0.000 0.800 87 E CB -0.172 29.452 29.700 -0.126 0.000 0.746 87 E HN 0.283 nan 8.360 nan 0.000 0.452 88 A N 0.739 123.439 122.820 -0.199 0.000 1.902 88 A HA -0.190 3.828 4.320 -0.502 0.000 0.217 88 A C 2.421 179.895 177.584 -0.185 0.000 1.181 88 A CA 1.170 53.080 52.037 -0.212 0.000 0.623 88 A CB -0.874 18.015 19.000 -0.187 0.000 0.818 88 A HN 0.368 nan 8.150 nan 0.000 0.443 89 C N -0.268 118.939 119.300 -0.156 0.000 2.413 89 C HA -0.073 4.085 4.460 -0.502 0.000 0.276 89 C C 2.576 177.491 174.990 -0.125 0.000 1.248 89 C CA 1.271 60.214 59.018 -0.125 0.000 1.742 89 C CB -0.752 26.920 27.740 -0.115 0.000 2.017 89 C HN 0.478 nan 8.230 nan 0.000 0.481 90 K N 0.791 121.115 120.400 -0.126 0.000 2.365 90 K HA 0.105 4.124 4.320 -0.502 0.000 0.199 90 K C 1.457 177.991 176.600 -0.110 0.000 1.045 90 K CA 0.754 56.982 56.287 -0.098 0.000 0.962 90 K CB -0.409 32.042 32.500 -0.080 0.000 0.759 90 K HN 0.551 nan 8.250 nan 0.000 0.469 91 L N 1.015 122.118 121.223 -0.199 0.000 2.599 91 L HA 0.009 4.048 4.340 -0.502 0.000 0.230 91 L C 0.291 177.031 176.870 -0.217 0.000 1.141 91 L CA 0.224 54.894 54.840 -0.283 0.000 0.877 91 L CB -0.214 41.556 42.059 -0.483 0.000 1.009 91 L HN -0.110 nan 8.230 nan 0.000 0.447 92 T N 1.728 116.183 114.554 -0.165 0.000 2.749 92 T HA 0.243 4.292 4.350 -0.502 0.000 0.295 92 T C -2.337 172.209 174.700 -0.256 0.000 0.936 92 T CA -1.250 60.748 62.100 -0.170 0.000 1.060 92 T CB 1.114 69.902 68.868 -0.133 0.000 0.904 92 T HN -0.144 nan 8.240 nan 0.000 0.500 93 P HA 0.139 nan 4.420 nan 0.000 0.268 93 P C -1.922 175.064 177.300 -0.524 0.000 1.204 93 P CA -1.397 61.398 63.100 -0.509 0.000 0.768 93 P CB 0.165 31.714 31.700 -0.253 0.000 0.842 94 P HA -0.165 nan 4.420 nan 0.000 0.218 94 P C 0.341 177.262 177.300 -0.633 0.000 1.146 94 P CA 1.750 64.457 63.100 -0.656 0.000 0.813 94 P CB -0.202 31.042 31.700 -0.760 0.000 0.778 95 H N -2.726 116.209 119.070 -0.225 0.000 2.528 95 H HA 0.279 4.534 4.556 -0.503 0.000 0.282 95 H C 0.525 175.768 175.328 -0.142 0.000 1.097 95 H CA -0.351 55.608 56.048 -0.148 0.000 1.121 95 H CB 0.008 29.701 29.762 -0.115 0.000 1.590 95 H HN -0.036 nan 8.280 nan 0.000 0.553 96 S N 1.342 116.981 115.700 -0.102 0.000 2.563 96 S HA 0.275 4.444 4.470 -0.502 0.000 0.284 96 S C 0.774 175.318 174.600 -0.093 0.000 1.331 96 S CA -0.426 57.703 58.200 -0.117 0.000 1.047 96 S CB 0.172 63.292 63.200 -0.133 0.000 0.859 96 S HN 0.522 nan 8.310 nan 0.000 0.514 97 A N 4.758 127.506 122.820 -0.120 0.000 2.546 97 A HA 0.227 4.246 4.320 -0.502 0.000 0.243 97 A C 0.600 178.160 177.584 -0.040 0.000 1.063 97 A CA -0.132 51.864 52.037 -0.069 0.000 0.757 97 A CB -0.147 18.808 19.000 -0.076 0.000 0.991 97 A HN 0.854 nan 8.150 nan 0.000 0.503 98 K N 2.354 122.726 120.400 -0.047 0.000 2.319 98 K HA 0.308 4.327 4.320 -0.502 0.000 0.265 98 K C 0.348 176.858 176.600 -0.150 0.000 1.000 98 K CA 0.028 56.252 56.287 -0.105 0.000 0.943 98 K CB 0.482 32.923 32.500 -0.098 0.000 0.950 98 K HN 0.467 nan 8.250 nan 0.000 0.485 99 S N 0.614 116.109 115.700 -0.341 0.000 2.579 99 S HA 0.027 4.196 4.470 -0.502 0.000 0.275 99 S C 0.670 175.078 174.600 -0.320 0.000 1.345 99 S CA -0.361 57.617 58.200 -0.370 0.000 1.031 99 S CB 0.552 63.215 63.200 -0.895 0.000 0.892 99 S HN 0.686 nan 8.310 nan 0.000 0.529 100 K N 2.014 122.218 120.400 -0.327 0.000 2.439 100 K HA 0.017 4.035 4.320 -0.502 0.000 0.197 100 K C -0.040 176.131 176.600 -0.715 0.000 1.041 100 K CA 0.996 56.957 56.287 -0.543 0.000 0.970 100 K CB -0.110 31.956 32.500 -0.723 0.000 0.773 100 K HN 0.592 nan 8.250 nan 0.000 0.479 101 F N 0.239 120.033 119.950 -0.261 0.000 2.837 101 F HA 0.270 4.495 4.527 -0.503 0.000 0.298 101 F C 1.000 176.720 175.800 -0.134 0.000 1.161 101 F CA -0.462 57.391 58.000 -0.244 0.000 1.353 101 F CB 0.731 39.424 39.000 -0.511 0.000 0.951 101 F HN 0.050 nan 8.300 nan 0.000 0.508 102 G N 0.501 109.270 108.800 -0.053 0.000 2.149 102 G HA2 -0.283 3.376 3.960 -0.502 0.000 0.235 102 G HA3 -0.283 3.376 3.960 -0.502 0.000 0.235 102 G C -0.360 174.629 174.900 0.147 0.000 1.018 102 G CA 0.186 45.309 45.100 0.038 0.000 0.728 102 G HN 0.585 nan 8.290 nan 0.000 0.508 103 Y N -2.849 117.445 120.300 -0.010 0.000 2.670 103 Y HA 0.787 5.035 4.550 -0.504 0.000 0.334 103 Y C 0.374 176.275 175.900 0.002 0.000 1.185 103 Y CA -0.983 57.116 58.100 -0.002 0.000 1.053 103 Y CB 0.595 39.060 38.460 0.008 0.000 1.298 103 Y HN 0.717 nan 8.280 nan 0.000 0.459 104 G N -0.317 108.537 108.800 0.090 0.000 3.140 104 G HA2 0.543 4.202 3.960 -0.502 0.000 0.271 104 G HA3 0.543 4.202 3.960 -0.502 0.000 0.271 104 G C 0.120 175.059 174.900 0.066 0.000 1.370 104 G CA -0.741 44.356 45.100 -0.005 0.000 1.014 104 G HN 1.181 nan 8.290 nan 0.000 0.541 105 A N -0.394 122.415 122.820 -0.018 0.000 1.902 105 A HA 0.008 4.027 4.320 -0.502 0.000 0.217 105 A C 2.144 179.682 177.584 -0.077 0.000 1.181 105 A CA 2.012 54.016 52.037 -0.055 0.000 0.623 105 A CB -0.403 18.520 19.000 -0.129 0.000 0.818 105 A HN 0.559 nan 8.150 nan 0.000 0.443 106 K N -0.265 120.081 120.400 -0.090 0.000 2.155 106 K HA -0.089 3.930 4.320 -0.502 0.000 0.203 106 K C 1.394 177.968 176.600 -0.043 0.000 1.052 106 K CA 1.161 57.389 56.287 -0.098 0.000 0.948 106 K CB -0.132 32.302 32.500 -0.110 0.000 0.728 106 K HN 0.421 nan 8.250 nan 0.000 0.448 107 D N 0.569 120.975 120.400 0.010 0.000 2.104 107 D HA -0.159 4.180 4.640 -0.502 0.000 0.194 107 D C 1.972 178.277 176.300 0.009 0.000 0.994 107 D CA 1.119 55.140 54.000 0.035 0.000 0.830 107 D CB -0.331 40.545 40.800 0.126 0.000 0.959 107 D HN -0.062 nan 8.370 nan 0.000 0.452 108 V N 1.275 121.215 119.914 0.044 0.000 2.261 108 V HA -0.239 3.580 4.120 -0.502 0.000 0.246 108 V C 2.547 178.609 176.094 -0.053 0.000 1.047 108 V CA 1.637 63.938 62.300 0.001 0.000 1.015 108 V CB -0.383 31.472 31.823 0.052 0.000 0.642 108 V HN 0.141 nan 8.190 nan 0.000 0.446 109 R N 0.290 120.748 120.500 -0.070 0.000 2.127 109 R HA -0.136 3.903 4.340 -0.502 0.000 0.238 109 R C 1.806 178.065 176.300 -0.069 0.000 1.134 109 R CA 1.489 57.536 56.100 -0.088 0.000 0.975 109 R CB -0.385 29.839 30.300 -0.127 0.000 0.865 109 R HN 0.504 nan 8.270 nan 0.000 0.447 110 N N 0.658 119.322 118.700 -0.059 0.000 2.461 110 N HA 0.055 4.494 4.740 -0.502 0.000 0.188 110 N C 0.244 175.726 175.510 -0.048 0.000 1.134 110 N CA 0.306 53.327 53.050 -0.048 0.000 0.878 110 N CB 0.173 38.636 38.487 -0.040 0.000 0.972 110 N HN 0.142 nan 8.380 nan 0.000 0.456 111 L N 0.277 121.465 121.223 -0.059 0.000 3.717 111 L HA -0.225 3.814 4.340 -0.502 0.000 0.411 111 L C 0.139 176.972 176.870 -0.062 0.000 1.233 111 L CA 0.018 54.819 54.840 -0.066 0.000 0.917 111 L CB -2.731 39.294 42.059 -0.058 0.000 1.902 111 L HN 0.152 nan 8.230 nan 0.000 0.894 112 S N -0.362 115.301 115.700 -0.061 0.000 2.552 112 S HA 0.192 4.361 4.470 -0.502 0.000 0.289 112 S C 1.571 176.125 174.600 -0.076 0.000 1.304 112 S CA 0.074 58.241 58.200 -0.055 0.000 1.063 112 S CB 1.641 64.817 63.200 -0.040 0.000 0.848 112 S HN 0.559 nan 8.310 nan 0.000 0.499 113 S N 3.710 119.379 115.700 -0.052 0.000 2.387 113 S HA -0.256 3.912 4.470 -0.502 0.000 0.230 113 S C 1.721 176.281 174.600 -0.066 0.000 1.035 113 S CA 1.363 59.536 58.200 -0.045 0.000 1.014 113 S CB -0.648 62.538 63.200 -0.024 0.000 0.836 113 S HN 0.891 nan 8.310 nan 0.000 0.466 114 K N 1.710 122.064 120.400 -0.078 0.000 2.026 114 K HA -0.015 4.004 4.320 -0.502 0.000 0.208 114 K C 2.402 178.837 176.600 -0.275 0.000 1.048 114 K CA 1.159 57.387 56.287 -0.099 0.000 0.929 114 K CB -0.718 31.757 32.500 -0.041 0.000 0.713 114 K HN 0.433 nan 8.250 nan 0.000 0.439 115 A N 0.693 123.246 122.820 -0.444 0.000 1.865 115 A HA -0.143 3.876 4.320 -0.502 0.000 0.217 115 A C 2.257 179.556 177.584 -0.476 0.000 1.191 115 A CA 1.950 53.469 52.037 -0.863 0.000 0.623 115 A CB -0.774 17.913 19.000 -0.521 0.000 0.826 115 A HN 0.196 nan 8.150 nan 0.000 0.444 116 V N 0.797 120.560 119.914 -0.251 0.000 2.453 116 V HA -0.217 3.602 4.120 -0.502 0.000 0.247 116 V C 2.271 178.322 176.094 -0.071 0.000 1.048 116 V CA 1.940 64.132 62.300 -0.180 0.000 1.049 116 V CB -1.022 30.742 31.823 -0.099 0.000 0.672 116 V HN 0.533 nan 8.190 nan 0.000 0.457 117 N N -0.302 118.395 118.700 -0.004 0.000 2.104 117 N HA -0.209 4.229 4.740 -0.502 0.000 0.190 117 N C 1.871 177.410 175.510 0.050 0.000 1.024 117 N CA 1.756 54.846 53.050 0.066 0.000 0.853 117 N CB -0.585 37.921 38.487 0.031 0.000 1.008 117 N HN 0.644 nan 8.380 nan 0.000 0.424 118 H N 0.545 119.536 119.070 -0.132 0.000 2.353 118 H HA 0.017 4.272 4.556 -0.502 0.000 0.300 118 H C 2.071 177.361 175.328 -0.063 0.000 1.090 118 H CA 1.114 57.105 56.048 -0.095 0.000 1.327 118 H CB 0.048 29.766 29.762 -0.073 0.000 1.383 118 H HN 0.126 nan 8.280 nan 0.000 0.508 119 I N 0.106 120.572 120.570 -0.173 0.000 2.226 119 I HA -0.289 3.580 4.170 -0.502 0.000 0.245 119 I C 2.306 178.323 176.117 -0.167 0.000 1.100 119 I CA 1.397 62.574 61.300 -0.204 0.000 1.374 119 I CB -0.404 37.465 38.000 -0.219 0.000 1.057 119 I HN 0.333 nan 8.210 nan 0.000 0.413 120 H N -0.002 119.027 119.070 -0.069 0.000 2.352 120 H HA -0.175 4.080 4.556 -0.501 0.000 0.299 120 H C 2.565 177.901 175.328 0.014 0.000 1.097 120 H CA 1.936 57.978 56.048 -0.011 0.000 1.311 120 H CB -0.047 29.697 29.762 -0.030 0.000 1.377 120 H HN 0.380 nan 8.280 nan 0.000 0.504 121 S N 0.160 115.892 115.700 0.053 0.000 2.383 121 S HA -0.125 4.044 4.470 -0.502 0.000 0.227 121 S C 2.251 176.796 174.600 -0.093 0.000 1.026 121 S CA 1.143 59.330 58.200 -0.020 0.000 0.981 121 S CB -0.678 62.495 63.200 -0.044 0.000 0.818 121 S HN 0.167 nan 8.310 nan 0.000 0.472 122 V N 0.940 120.734 119.914 -0.201 0.000 2.295 122 V HA -0.149 3.669 4.120 -0.502 0.000 0.246 122 V C 2.269 178.356 176.094 -0.011 0.000 1.049 122 V CA 1.883 64.082 62.300 -0.169 0.000 1.024 122 V CB -1.270 30.420 31.823 -0.222 0.000 0.648 122 V HN 0.719 nan 8.190 nan 0.000 0.447 123 W N 1.452 122.681 121.300 -0.119 0.000 2.335 123 W HA -0.234 4.121 4.660 -0.509 0.000 0.311 123 W C 2.539 179.031 176.519 -0.045 0.000 1.213 123 W CA 2.333 59.637 57.345 -0.068 0.000 1.274 123 W CB -0.135 29.298 29.460 -0.045 0.000 1.148 123 W HN 0.242 nan 8.180 nan 0.000 0.498 124 K N 0.514 120.963 120.400 0.082 0.000 2.097 124 K HA -0.264 3.754 4.320 -0.502 0.000 0.206 124 K C 1.717 178.255 176.600 -0.103 0.000 1.049 124 K CA 2.222 58.501 56.287 -0.013 0.000 0.933 124 K CB -0.551 31.978 32.500 0.048 0.000 0.717 124 K HN 0.036 nan 8.250 nan 0.000 0.442 125 D N 0.208 120.550 120.400 -0.097 0.000 2.144 125 D HA -0.129 4.210 4.640 -0.502 0.000 0.200 125 D C 1.956 178.163 176.300 -0.155 0.000 0.978 125 D CA 0.898 54.832 54.000 -0.109 0.000 0.833 125 D CB 0.086 40.829 40.800 -0.096 0.000 0.961 125 D HN 0.189 nan 8.370 nan 0.000 0.470 126 L N -0.015 121.075 121.223 -0.221 0.000 2.083 126 L HA -0.151 3.888 4.340 -0.502 0.000 0.209 126 L C 2.470 179.153 176.870 -0.312 0.000 1.083 126 L CA 0.681 55.350 54.840 -0.285 0.000 0.752 126 L CB -0.386 41.437 42.059 -0.394 0.000 0.899 126 L HN 0.222 nan 8.230 nan 0.000 0.433 127 L N -0.750 120.252 121.223 -0.369 0.000 2.093 127 L HA -0.173 3.866 4.340 -0.502 0.000 0.208 127 L C 2.293 179.061 176.870 -0.170 0.000 1.085 127 L CA 1.276 55.937 54.840 -0.299 0.000 0.755 127 L CB -0.321 41.563 42.059 -0.292 0.000 0.904 127 L HN 0.300 nan 8.230 nan 0.000 0.435 128 E N -1.207 118.910 120.200 -0.138 0.000 2.276 128 E HA -0.063 3.985 4.350 -0.502 0.000 0.193 128 E C 0.144 176.698 176.600 -0.078 0.000 0.983 128 E CA 0.153 56.499 56.400 -0.089 0.000 0.861 128 E CB 0.457 30.116 29.700 -0.068 0.000 0.817 128 E HN 0.161 nan 8.360 nan 0.000 0.485 129 D N 0.023 120.368 120.400 -0.091 0.000 2.549 129 D HA 0.050 4.389 4.640 -0.502 0.000 0.251 129 D C -0.134 176.116 176.300 -0.083 0.000 1.153 129 D CA -0.295 53.662 54.000 -0.073 0.000 0.861 129 D CB 1.420 42.182 40.800 -0.064 0.000 1.207 129 D HN -0.054 nan 8.370 nan 0.000 0.543 130 T N 0.333 114.847 114.554 -0.067 0.000 3.174 130 T HA 0.210 4.259 4.350 -0.502 0.000 0.269 130 T C 1.209 175.880 174.700 -0.048 0.000 1.017 130 T CA 0.372 62.432 62.100 -0.067 0.000 0.899 130 T CB -0.151 68.681 68.868 -0.059 0.000 1.077 130 T HN 0.222 nan 8.240 nan 0.000 0.552 131 V N -2.988 116.902 119.914 -0.040 0.000 3.350 131 V HA 0.365 4.183 4.120 -0.502 0.000 0.246 131 V C 0.549 176.634 176.094 -0.015 0.000 1.363 131 V CA -0.085 62.201 62.300 -0.024 0.000 1.162 131 V CB -0.263 31.548 31.823 -0.020 0.000 0.947 131 V HN 0.277 nan 8.190 nan 0.000 0.454 132 T N 4.748 119.290 114.554 -0.019 0.000 2.769 132 T HA 0.375 4.424 4.350 -0.502 0.000 0.293 132 T C -2.522 172.177 174.700 -0.001 0.000 0.931 132 T CA -0.452 61.645 62.100 -0.005 0.000 1.139 132 T CB 0.733 69.597 68.868 -0.007 0.000 0.881 132 T HN 0.360 nan 8.240 nan 0.000 0.532 133 P HA 0.139 nan 4.420 nan 0.000 0.266 133 P C -0.238 177.064 177.300 0.003 0.000 1.195 133 P CA -0.100 63.016 63.100 0.027 0.000 0.768 133 P CB 0.354 32.119 31.700 0.108 0.000 0.838 134 I N 2.023 122.576 120.570 -0.030 0.000 2.396 134 I HA 0.166 4.035 4.170 -0.502 0.000 0.292 134 I C 0.898 176.998 176.117 -0.029 0.000 0.999 134 I CA -0.476 60.810 61.300 -0.024 0.000 1.310 134 I CB 0.772 38.746 38.000 -0.043 0.000 1.404 134 I HN 0.302 nan 8.210 nan 0.000 0.496 135 D N 4.132 124.532 120.400 0.000 0.000 2.414 135 D HA 0.198 4.537 4.640 -0.502 0.000 0.242 135 D C -0.325 175.944 176.300 -0.052 0.000 1.129 135 D CA 0.255 54.243 54.000 -0.019 0.000 0.885 135 D CB 0.811 41.619 40.800 0.013 0.000 1.198 135 D HN 0.627 nan 8.370 nan 0.000 0.437 136 T N -0.568 113.924 114.554 -0.103 0.000 2.906 136 T HA 0.600 4.648 4.350 -0.502 0.000 0.295 136 T C -0.333 174.213 174.700 -0.257 0.000 1.075 136 T CA -0.964 61.032 62.100 -0.173 0.000 1.005 136 T CB 1.536 70.323 68.868 -0.134 0.000 1.136 136 T HN 0.210 nan 8.240 nan 0.000 0.498 137 T N 2.333 116.575 114.554 -0.519 0.000 2.837 137 T HA 0.573 4.621 4.350 -0.502 0.000 0.285 137 T C -0.357 174.083 174.700 -0.433 0.000 0.984 137 T CA -0.584 61.183 62.100 -0.554 0.000 1.049 137 T CB 0.662 68.994 68.868 -0.894 0.000 0.947 137 T HN 0.710 nan 8.240 nan 0.000 0.472 138 I N 4.212 124.692 120.570 -0.151 0.000 2.378 138 I HA 0.506 4.375 4.170 -0.502 0.000 0.291 138 I C -0.999 175.150 176.117 0.053 0.000 0.992 138 I CA -0.789 60.511 61.300 0.001 0.000 1.154 138 I CB 0.660 38.708 38.000 0.081 0.000 1.315 138 I HN 0.403 nan 8.210 nan 0.000 0.448 139 M N 6.400 126.078 119.600 0.130 0.000 2.572 139 M HA 0.502 4.681 4.480 -0.502 0.000 0.299 139 M C -0.469 175.898 176.300 0.111 0.000 1.205 139 M CA -0.589 54.795 55.300 0.140 0.000 0.876 139 M CB 1.815 34.553 32.600 0.230 0.000 1.728 139 M HN 0.587 nan 8.290 nan 0.000 0.458 140 A N 2.468 125.333 122.820 0.075 0.000 2.363 140 A HA 0.473 4.492 4.320 -0.502 0.000 0.270 140 A C -0.030 177.593 177.584 0.064 0.000 1.121 140 A CA -0.390 51.684 52.037 0.060 0.000 0.800 140 A CB 0.318 19.341 19.000 0.039 0.000 1.052 140 A HN 0.754 nan 8.150 nan 0.000 0.493 141 K N 1.798 122.237 120.400 0.065 0.000 2.218 141 K HA 0.151 4.170 4.320 -0.502 0.000 0.276 141 K C -0.678 175.935 176.600 0.021 0.000 1.022 141 K CA -0.028 56.286 56.287 0.044 0.000 0.946 141 K CB 0.740 33.274 32.500 0.056 0.000 1.000 141 K HN 0.775 nan 8.250 nan 0.000 0.468 142 N N 2.753 121.437 118.700 -0.026 0.000 2.485 142 N HA 0.118 4.557 4.740 -0.502 0.000 0.243 142 N C -1.222 174.176 175.510 -0.186 0.000 0.987 142 N CA -0.352 52.645 53.050 -0.089 0.000 0.940 142 N CB 1.045 39.473 38.487 -0.098 0.000 1.122 142 N HN 0.403 nan 8.380 nan 0.000 0.509 143 E N 0.869 120.941 120.200 -0.213 0.000 2.343 143 E HA 0.459 4.508 4.350 -0.502 0.000 0.270 143 E C -1.006 175.217 176.600 -0.628 0.000 0.895 143 E CA -0.986 55.171 56.400 -0.405 0.000 0.767 143 E CB 2.477 31.971 29.700 -0.342 0.000 1.248 143 E HN 0.071 nan 8.360 nan 0.000 0.440 144 V N 2.396 121.806 119.914 -0.840 0.000 2.472 144 V HA 0.512 4.331 4.120 -0.502 0.000 0.290 144 V C -0.834 174.655 176.094 -1.008 0.000 1.037 144 V CA -0.341 61.484 62.300 -0.792 0.000 0.908 144 V CB 0.285 31.775 31.823 -0.555 0.000 0.985 144 V HN 0.509 nan 8.190 nan 0.000 0.454 145 F N 1.923 121.537 119.950 -0.560 0.000 2.650 145 F HA 0.629 4.854 4.527 -0.504 0.000 0.320 145 F C 0.063 175.682 175.800 -0.301 0.000 1.091 145 F CA -0.703 57.047 58.000 -0.416 0.000 0.962 145 F CB 1.400 40.148 39.000 -0.421 0.000 1.363 145 F HN 0.558 nan 8.300 nan 0.000 0.482 146 C N 2.456 121.855 119.300 0.164 0.000 2.366 146 C HA 0.810 4.968 4.460 -0.502 0.000 0.345 146 C C -0.020 175.169 174.990 0.331 0.000 1.209 146 C CA -0.716 58.429 59.018 0.213 0.000 2.050 146 C CB 0.204 28.027 27.740 0.138 0.000 2.359 146 C HN 0.728 nan 8.230 nan 0.000 0.527 147 V N 4.582 124.708 119.914 0.353 0.000 2.763 147 V HA 0.373 4.191 4.120 -0.502 0.000 0.306 147 V C 0.024 176.202 176.094 0.140 0.000 1.059 147 V CA 0.294 62.745 62.300 0.253 0.000 1.138 147 V CB -0.049 31.862 31.823 0.147 0.000 0.940 147 V HN 1.318 nan 8.190 nan 0.000 0.489 155 K N 3.315 123.709 120.400 -0.011 0.000 2.326 155 K HA 0.263 4.282 4.320 -0.502 0.000 0.275 155 K C -2.144 174.461 176.600 0.008 0.000 1.018 155 K CA -1.526 54.717 56.287 -0.073 0.000 0.962 155 K CB 0.366 32.677 32.500 -0.315 0.000 0.953 155 K HN 0.209 nan 8.250 nan 0.000 0.475 156 P HA 0.052 nan 4.420 nan 0.000 0.274 156 P C -0.845 176.488 177.300 0.054 0.000 1.237 156 P CA -0.519 62.593 63.100 0.021 0.000 0.793 156 P CB 0.577 32.275 31.700 -0.004 0.000 0.977 157 A N 2.685 125.547 122.820 0.069 0.000 2.462 157 A HA 0.146 4.165 4.320 -0.502 0.000 0.243 157 A C 0.605 178.235 177.584 0.077 0.000 1.076 157 A CA -0.147 51.945 52.037 0.091 0.000 0.773 157 A CB -0.286 18.757 19.000 0.070 0.000 1.010 157 A HN 0.443 nan 8.150 nan 0.000 0.493 158 R N 0.393 120.956 120.500 0.105 0.000 2.615 158 R HA 0.375 4.414 4.340 -0.502 0.000 0.270 158 R C -0.898 175.458 176.300 0.093 0.000 1.081 158 R CA -0.639 55.524 56.100 0.104 0.000 1.154 158 R CB 0.232 30.611 30.300 0.131 0.000 1.063 158 R HN 0.473 nan 8.270 nan 0.000 0.519 159 L N 2.066 123.350 121.223 0.101 0.000 2.334 159 L HA 0.467 4.506 4.340 -0.502 0.000 0.275 159 L C -0.313 176.646 176.870 0.148 0.000 1.036 159 L CA -0.628 54.276 54.840 0.107 0.000 0.807 159 L CB 1.249 43.359 42.059 0.085 0.000 1.231 159 L HN 0.490 nan 8.230 nan 0.000 0.438 160 I N 2.358 123.032 120.570 0.174 0.000 2.465 160 I HA 0.618 4.486 4.170 -0.502 0.000 0.291 160 I C -1.078 175.216 176.117 0.295 0.000 1.014 160 I CA -0.343 61.097 61.300 0.234 0.000 1.093 160 I CB 1.888 40.022 38.000 0.224 0.000 1.267 160 I HN 0.202 nan 8.210 nan 0.000 0.431 161 V N 8.728 128.817 119.914 0.291 0.000 2.443 161 V HA 0.583 4.402 4.120 -0.502 0.000 0.293 161 V C -0.885 175.364 176.094 0.258 0.000 1.021 161 V CA -0.485 61.929 62.300 0.191 0.000 0.848 161 V CB 1.041 32.959 31.823 0.159 0.000 0.998 161 V HN 0.586 nan 8.190 nan 0.000 0.424 162 F N 5.074 125.070 119.950 0.075 0.000 2.619 162 F HA 0.945 5.170 4.527 -0.504 0.000 0.308 162 F C -3.056 172.782 175.800 0.063 0.000 1.097 162 F CA -2.627 55.416 58.000 0.073 0.000 0.953 162 F CB 1.787 40.824 39.000 0.063 0.000 1.287 162 F HN 0.298 nan 8.300 nan 0.000 0.446 163 P HA 0.183 nan 4.420 nan 0.000 0.282 163 P C -1.075 176.349 177.300 0.207 0.000 1.287 163 P CA -0.149 63.014 63.100 0.104 0.000 0.792 163 P CB 1.157 32.924 31.700 0.112 0.000 1.163 164 D N -0.959 119.544 120.400 0.171 0.000 2.382 164 D HA -0.026 4.313 4.640 -0.502 0.000 0.240 164 D C 1.385 177.818 176.300 0.222 0.000 1.146 164 D CA -0.327 53.802 54.000 0.216 0.000 0.897 164 D CB 0.285 41.263 40.800 0.296 0.000 1.197 164 D HN 0.112 nan 8.370 nan 0.000 0.432 165 L N 3.519 124.852 121.223 0.183 0.000 2.051 165 L HA -0.078 3.960 4.340 -0.502 0.000 0.214 165 L C 2.015 179.017 176.870 0.219 0.000 1.076 165 L CA 2.680 57.610 54.840 0.151 0.000 0.758 165 L CB -1.081 41.011 42.059 0.056 0.000 0.890 165 L HN 0.667 nan 8.230 nan 0.000 0.433 166 G N -1.217 107.781 108.800 0.331 0.000 2.446 166 G HA2 -0.226 3.433 3.960 -0.502 0.000 0.217 166 G HA3 -0.226 3.433 3.960 -0.502 0.000 0.217 166 G C 1.535 176.520 174.900 0.141 0.000 1.168 166 G CA 1.171 46.455 45.100 0.306 0.000 0.771 166 G HN 0.367 nan 8.290 nan 0.000 0.551 167 V N 0.830 120.828 119.914 0.140 0.000 2.332 167 V HA -0.203 3.616 4.120 -0.502 0.000 0.248 167 V C 2.933 179.097 176.094 0.118 0.000 1.055 167 V CA 2.070 64.431 62.300 0.102 0.000 1.038 167 V CB -0.489 31.388 31.823 0.090 0.000 0.651 167 V HN 0.341 nan 8.190 nan 0.000 0.450 168 R N -0.358 120.220 120.500 0.131 0.000 2.092 168 R HA -0.096 3.943 4.340 -0.502 0.000 0.231 168 R C 2.217 178.566 176.300 0.082 0.000 1.119 168 R CA 1.340 57.510 56.100 0.117 0.000 0.970 168 R CB -0.535 29.830 30.300 0.107 0.000 0.864 168 R HN 0.442 nan 8.270 nan 0.000 0.440 169 V N 0.353 120.306 119.914 0.066 0.000 2.427 169 V HA -0.277 3.542 4.120 -0.502 0.000 0.248 169 V C 2.452 178.561 176.094 0.024 0.000 1.051 169 V CA 1.463 63.770 62.300 0.013 0.000 1.048 169 V CB -0.457 31.362 31.823 -0.008 0.000 0.666 169 V HN 0.434 nan 8.190 nan 0.000 0.456 170 C N -0.110 119.250 119.300 0.099 0.000 2.440 170 C HA -0.121 4.038 4.460 -0.502 0.000 0.278 170 C C 2.673 177.825 174.990 0.269 0.000 1.295 170 C CA 0.772 59.932 59.018 0.236 0.000 1.738 170 C CB -0.926 27.005 27.740 0.317 0.000 1.987 170 C HN 0.619 nan 8.230 nan 0.000 0.492 171 E N 0.980 121.294 120.200 0.189 0.000 2.058 171 E HA -0.246 3.803 4.350 -0.502 0.000 0.194 171 E C 2.146 178.851 176.600 0.176 0.000 0.997 171 E CA 1.327 57.849 56.400 0.203 0.000 0.801 171 E CB -0.176 29.652 29.700 0.213 0.000 0.746 171 E HN 0.631 nan 8.360 nan 0.000 0.450 172 K N 0.394 120.863 120.400 0.115 0.000 2.009 172 K HA -0.164 3.855 4.320 -0.502 0.000 0.210 172 K C 2.231 178.874 176.600 0.072 0.000 1.049 172 K CA 1.691 58.027 56.287 0.082 0.000 0.929 172 K CB -0.194 32.275 32.500 -0.051 0.000 0.714 172 K HN 0.106 nan 8.250 nan 0.000 0.440 173 M N 0.309 119.910 119.600 0.001 0.000 2.082 173 M HA -0.226 3.953 4.480 -0.502 0.000 0.258 173 M C 2.427 178.754 176.300 0.046 0.000 1.069 173 M CA 1.944 57.181 55.300 -0.104 0.000 1.102 173 M CB -0.388 31.953 32.600 -0.432 0.000 1.336 173 M HN 0.266 nan 8.290 nan 0.000 0.404 174 A N -0.687 122.279 122.820 0.244 0.000 1.930 174 A HA 0.053 4.072 4.320 -0.502 0.000 0.215 174 A C 1.854 179.533 177.584 0.159 0.000 1.176 174 A CA 1.188 53.415 52.037 0.316 0.000 0.632 174 A CB -0.188 19.034 19.000 0.370 0.000 0.819 174 A HN 0.496 nan 8.150 nan 0.000 0.445 175 L N -3.034 118.267 121.223 0.131 0.000 3.086 175 L HA 0.201 4.239 4.340 -0.502 0.000 0.274 175 L C 1.756 178.663 176.870 0.063 0.000 1.184 175 L CA -0.001 54.862 54.840 0.039 0.000 1.002 175 L CB 0.157 42.205 42.059 -0.018 0.000 1.383 175 L HN 0.454 nan 8.230 nan 0.000 0.582 176 Y N 1.364 121.672 120.300 0.015 0.000 2.128 176 Y HA -0.314 3.962 4.550 -0.456 0.000 0.284 176 Y C 2.187 178.116 175.900 0.049 0.000 1.154 176 Y CA 2.267 60.389 58.100 0.038 0.000 1.149 176 Y CB 0.092 38.558 38.460 0.011 0.000 0.976 176 Y HN 0.232 nan 8.280 nan 0.000 0.505 177 D N -0.688 119.732 120.400 0.033 0.000 2.144 177 D HA -0.156 4.183 4.640 -0.502 0.000 0.200 177 D C 2.188 178.424 176.300 -0.107 0.000 0.978 177 D CA 1.378 55.344 54.000 -0.057 0.000 0.833 177 D CB -0.185 40.642 40.800 0.045 0.000 0.961 177 D HN 0.267 nan 8.370 nan 0.000 0.470 178 V N 0.507 120.369 119.914 -0.086 0.000 2.261 178 V HA -0.226 3.593 4.120 -0.502 0.000 0.246 178 V C 2.710 178.702 176.094 -0.169 0.000 1.047 178 V CA 1.851 64.081 62.300 -0.116 0.000 1.015 178 V CB -0.728 31.007 31.823 -0.147 0.000 0.642 178 V HN 0.338 nan 8.190 nan 0.000 0.446 179 V N -2.524 117.271 119.914 -0.199 0.000 2.913 179 V HA -0.100 3.719 4.120 -0.502 0.000 0.260 179 V C 2.080 178.025 176.094 -0.248 0.000 1.098 179 V CA 2.075 64.249 62.300 -0.210 0.000 1.121 179 V CB -0.404 31.319 31.823 -0.166 0.000 0.714 179 V HN 0.447 nan 8.190 nan 0.000 0.487 180 S N 1.154 116.699 115.700 -0.257 0.000 2.425 180 S HA -0.058 4.111 4.470 -0.502 0.000 0.225 180 S C 1.975 176.471 174.600 -0.174 0.000 1.024 180 S CA 1.632 59.687 58.200 -0.242 0.000 0.951 180 S CB -0.090 62.897 63.200 -0.356 0.000 0.796 180 S HN 0.950 nan 8.310 nan 0.000 0.498 181 T N -0.876 113.577 114.554 -0.168 0.000 2.999 181 T HA 0.242 4.291 4.350 -0.502 0.000 0.247 181 T C 1.631 176.230 174.700 -0.168 0.000 1.012 181 T CA -0.015 62.006 62.100 -0.133 0.000 1.048 181 T CB -0.381 68.434 68.868 -0.088 0.000 1.020 181 T HN 0.166 nan 8.240 nan 0.000 0.478 182 L N 2.501 123.616 121.223 -0.180 0.000 2.109 182 L HA 0.276 4.315 4.340 -0.502 0.000 0.207 182 L C -1.013 175.685 176.870 -0.287 0.000 1.086 182 L CA 1.471 56.208 54.840 -0.173 0.000 0.760 182 L CB -0.974 41.030 42.059 -0.092 0.000 0.910 182 L HN 0.086 nan 8.230 nan 0.000 0.437 183 P HA -0.213 nan 4.420 nan 0.000 0.215 183 P C 1.464 178.319 177.300 -0.741 0.000 1.157 183 P CA 1.315 63.953 63.100 -0.770 0.000 0.868 183 P CB -0.168 30.656 31.700 -1.460 0.000 0.788 184 Q N 0.046 119.474 119.800 -0.619 0.000 2.119 184 Q HA -0.095 3.944 4.340 -0.502 0.000 0.201 184 Q C 1.973 177.854 176.000 -0.198 0.000 0.972 184 Q CA 1.429 57.066 55.803 -0.276 0.000 0.847 184 Q CB -0.742 27.932 28.738 -0.106 0.000 0.903 184 Q HN 0.066 nan 8.270 nan 0.000 0.433 185 V N 0.171 119.972 119.914 -0.190 0.000 2.295 185 V HA -0.215 3.604 4.120 -0.502 0.000 0.246 185 V C 2.521 178.529 176.094 -0.144 0.000 1.049 185 V CA 1.530 63.751 62.300 -0.132 0.000 1.024 185 V CB -0.534 31.226 31.823 -0.105 0.000 0.648 185 V HN 0.132 nan 8.190 nan 0.000 0.447 186 V N -0.814 118.979 119.914 -0.201 0.000 2.548 186 V HA -0.138 3.681 4.120 -0.502 0.000 0.249 186 V C 1.960 177.880 176.094 -0.289 0.000 1.055 186 V CA 2.015 64.188 62.300 -0.211 0.000 1.065 186 V CB -0.356 31.328 31.823 -0.232 0.000 0.681 186 V HN 0.493 nan 8.190 nan 0.000 0.462 187 M N -1.497 117.879 119.600 -0.373 0.000 2.308 187 M HA 0.386 4.564 4.480 -0.502 0.000 0.269 187 M C 1.496 177.690 176.300 -0.177 0.000 1.040 187 M CA 0.700 55.721 55.300 -0.466 0.000 1.024 187 M CB 0.729 32.910 32.600 -0.699 0.000 1.465 187 M HN 0.389 nan 8.290 nan 0.000 0.517 188 G N 1.929 110.650 108.800 -0.132 0.000 2.651 188 G HA2 -0.419 3.240 3.960 -0.502 0.000 0.315 188 G HA3 -0.419 3.240 3.960 -0.502 0.000 0.315 188 G C 0.937 175.795 174.900 -0.069 0.000 1.258 188 G CA 1.165 46.226 45.100 -0.065 0.000 1.002 188 G HN 0.545 nan 8.290 nan 0.000 0.551 189 S N -0.659 115.025 115.700 -0.027 0.000 2.474 189 S HA 0.095 4.263 4.470 -0.502 0.000 0.235 189 S C 2.200 176.648 174.600 -0.254 0.000 0.997 189 S CA 1.898 60.039 58.200 -0.100 0.000 0.949 189 S CB -0.087 63.153 63.200 0.067 0.000 0.766 189 S HN 0.955 nan 8.310 nan 0.000 0.517 190 S N 0.246 115.919 115.700 -0.045 0.000 2.522 190 S HA 0.125 4.293 4.470 -0.502 0.000 0.227 190 S C 0.200 174.780 174.600 -0.033 0.000 0.986 190 S CA -0.108 58.113 58.200 0.035 0.000 0.929 190 S CB -0.421 62.928 63.200 0.249 0.000 0.769 190 S HN 0.703 nan 8.310 nan 0.000 0.529 191 Y N 3.033 123.172 120.300 -0.268 0.000 2.584 191 Y HA 0.457 4.940 4.550 -0.111 0.000 0.351 191 Y C 1.245 176.883 175.900 -0.437 0.000 1.030 191 Y CA -1.444 56.464 58.100 -0.321 0.000 1.332 191 Y CB -0.000 38.275 38.460 -0.308 0.000 1.148 191 Y HN 0.054 nan 8.280 nan 0.000 0.528 192 G N 4.424 112.753 108.800 -0.785 0.000 2.421 192 G HA2 -0.244 3.415 3.960 -0.502 0.000 0.217 192 G HA3 -0.244 3.415 3.960 -0.502 0.000 0.217 192 G C 0.999 175.340 174.900 -0.931 0.000 1.143 192 G CA 0.218 44.879 45.100 -0.732 0.000 0.784 192 G HN 0.622 nan 8.290 nan 0.000 0.541 193 F N 1.314 120.505 119.950 -1.265 0.000 2.802 193 F HA 0.081 4.284 4.527 -0.539 0.000 0.300 193 F C 2.773 178.252 175.800 -0.535 0.000 1.168 193 F CA 0.569 57.919 58.000 -1.084 0.000 1.433 193 F CB -0.020 38.392 39.000 -0.981 0.000 1.115 193 F HN 0.374 nan 8.300 nan 0.000 0.582 194 Q N -0.915 118.565 119.800 -0.534 0.000 2.435 194 Q HA -0.093 3.945 4.340 -0.502 0.000 0.207 194 Q C -0.536 175.371 176.000 -0.155 0.000 0.956 194 Q CA 0.870 56.511 55.803 -0.272 0.000 0.917 194 Q CB -0.273 28.208 28.738 -0.429 0.000 0.997 194 Q HN 0.258 nan 8.270 nan 0.000 0.497 195 Y N 1.958 122.238 120.300 -0.033 0.000 2.342 195 Y HA 0.297 4.564 4.550 -0.472 0.000 0.334 195 Y C 0.547 176.203 175.900 -0.407 0.000 1.067 195 Y CA -1.558 56.452 58.100 -0.149 0.000 1.128 195 Y CB 1.534 39.879 38.460 -0.190 0.000 1.200 195 Y HN 0.120 nan 8.280 nan 0.000 0.464 196 S N 3.096 118.500 115.700 -0.493 0.000 2.596 196 S HA 0.178 4.347 4.470 -0.502 0.000 0.260 196 S C -1.952 172.344 174.600 -0.507 0.000 1.336 196 S CA -0.931 56.647 58.200 -1.037 0.000 0.993 196 S CB 1.083 63.932 63.200 -0.585 0.000 0.923 196 S HN 0.432 nan 8.310 nan 0.000 0.567 197 P HA -0.012 nan 4.420 nan 0.000 0.215 197 P C 1.788 178.995 177.300 -0.157 0.000 1.157 197 P CA 1.783 64.738 63.100 -0.242 0.000 0.874 197 P CB -0.602 30.983 31.700 -0.191 0.000 0.790 198 G N -0.209 108.475 108.800 -0.193 0.000 2.469 198 G HA2 -0.306 3.353 3.960 -0.502 0.000 0.219 198 G HA3 -0.306 3.353 3.960 -0.502 0.000 0.219 198 G C 1.544 176.386 174.900 -0.096 0.000 1.150 198 G CA 0.795 45.841 45.100 -0.090 0.000 0.763 198 G HN 0.328 nan 8.290 nan 0.000 0.561 199 Q N -0.642 119.080 119.800 -0.130 0.000 2.167 199 Q HA 0.021 4.059 4.340 -0.502 0.000 0.202 199 Q C 2.619 178.428 176.000 -0.318 0.000 0.970 199 Q CA 0.816 56.533 55.803 -0.143 0.000 0.855 199 Q CB -0.101 28.632 28.738 -0.008 0.000 0.911 199 Q HN 0.451 nan 8.270 nan 0.000 0.438 200 R N 0.420 120.764 120.500 -0.260 0.000 2.073 200 R HA -0.112 3.927 4.340 -0.502 0.000 0.229 200 R C 2.116 178.322 176.300 -0.157 0.000 1.120 200 R CA 1.220 57.159 56.100 -0.268 0.000 0.967 200 R CB -0.004 30.232 30.300 -0.107 0.000 0.862 200 R HN 0.119 nan 8.270 nan 0.000 0.436 201 V N 1.140 120.992 119.914 -0.103 0.000 2.343 201 V HA -0.237 3.581 4.120 -0.502 0.000 0.247 201 V C 2.341 178.369 176.094 -0.109 0.000 1.051 201 V CA 2.233 64.484 62.300 -0.081 0.000 1.036 201 V CB -0.819 31.001 31.823 -0.005 0.000 0.654 201 V HN 0.474 nan 8.190 nan 0.000 0.451 202 E N -0.009 120.137 120.200 -0.091 0.000 2.085 202 E HA -0.285 3.764 4.350 -0.502 0.000 0.194 202 E C 2.061 178.599 176.600 -0.104 0.000 0.994 202 E CA 1.789 58.139 56.400 -0.083 0.000 0.801 202 E CB -0.223 29.444 29.700 -0.056 0.000 0.743 202 E HN 0.578 nan 8.360 nan 0.000 0.453 203 F N 1.013 120.781 119.950 -0.303 0.000 2.146 203 F HA -0.080 4.156 4.527 -0.484 0.000 0.298 203 F C 1.904 177.586 175.800 -0.197 0.000 1.096 203 F CA 1.130 58.947 58.000 -0.305 0.000 1.275 203 F CB -0.190 38.469 39.000 -0.567 0.000 1.008 203 F HN -0.006 nan 8.300 nan 0.000 0.480 204 L N -0.679 120.420 121.223 -0.207 0.000 1.989 204 L HA -0.246 3.792 4.340 -0.502 0.000 0.211 204 L C 2.419 179.140 176.870 -0.248 0.000 1.071 204 L CA 1.338 56.035 54.840 -0.238 0.000 0.749 204 L CB -0.977 40.984 42.059 -0.163 0.000 0.890 204 L HN -0.010 nan 8.230 nan 0.000 0.431 205 V N 0.092 119.846 119.914 -0.266 0.000 2.295 205 V HA -0.277 3.541 4.120 -0.502 0.000 0.246 205 V C 2.237 178.229 176.094 -0.171 0.000 1.049 205 V CA 1.909 64.031 62.300 -0.295 0.000 1.024 205 V CB -0.697 30.843 31.823 -0.473 0.000 0.648 205 V HN 0.480 nan 8.190 nan 0.000 0.447 206 N N 0.030 118.618 118.700 -0.187 0.000 2.120 206 N HA -0.137 4.301 4.740 -0.502 0.000 0.188 206 N C 1.907 177.300 175.510 -0.194 0.000 1.024 206 N CA 1.933 54.889 53.050 -0.157 0.000 0.852 206 N CB -0.697 37.708 38.487 -0.136 0.000 1.003 206 N HN 0.457 nan 8.380 nan 0.000 0.424 207 T N 0.500 114.852 114.554 -0.336 0.000 2.746 207 T HA -0.146 3.903 4.350 -0.502 0.000 0.267 207 T C 1.496 176.102 174.700 -0.156 0.000 1.039 207 T CA 0.673 62.567 62.100 -0.345 0.000 1.142 207 T CB -0.230 68.284 68.868 -0.589 0.000 0.866 207 T HN 0.417 nan 8.240 nan 0.000 0.444 208 W N 2.195 123.332 121.300 -0.270 0.000 2.333 208 W HA -0.138 4.219 4.660 -0.505 0.000 0.316 208 W C 1.994 178.424 176.519 -0.149 0.000 1.215 208 W CA 1.341 58.568 57.345 -0.196 0.000 1.278 208 W CB -0.237 29.100 29.460 -0.206 0.000 1.154 208 W HN 0.247 nan 8.180 nan 0.000 0.486 209 K N 0.322 120.734 120.400 0.020 0.000 2.147 209 K HA -0.173 3.846 4.320 -0.502 0.000 0.205 209 K C 2.215 178.753 176.600 -0.105 0.000 1.049 209 K CA 1.878 58.142 56.287 -0.038 0.000 0.936 209 K CB -0.427 32.068 32.500 -0.008 0.000 0.722 209 K HN 0.087 nan 8.250 nan 0.000 0.446 210 S N 0.666 116.293 115.700 -0.122 0.000 2.469 210 S HA -0.062 4.107 4.470 -0.502 0.000 0.238 210 S C 0.566 175.084 174.600 -0.137 0.000 0.998 210 S CA 0.608 58.739 58.200 -0.116 0.000 0.957 210 S CB -0.032 63.099 63.200 -0.115 0.000 0.764 210 S HN -0.015 nan 8.310 nan 0.000 0.514 211 K N 1.648 121.925 120.400 -0.205 0.000 2.118 211 K HA 0.366 4.384 4.320 -0.502 0.000 0.267 211 K C 0.796 177.279 176.600 -0.195 0.000 0.991 211 K CA -0.529 55.628 56.287 -0.217 0.000 0.916 211 K CB 0.913 33.224 32.500 -0.314 0.000 1.041 211 K HN 0.168 nan 8.250 nan 0.000 0.455 212 K N 1.237 121.551 120.400 -0.143 0.000 1.984 212 K HA -0.111 3.908 4.320 -0.502 0.000 0.209 212 K C 0.003 176.525 176.600 -0.130 0.000 1.046 212 K CA 1.373 57.594 56.287 -0.110 0.000 0.934 212 K CB -0.061 32.393 32.500 -0.076 0.000 0.717 212 K HN 0.511 nan 8.250 nan 0.000 0.438 213 N N 1.780 120.395 118.700 -0.141 0.000 2.626 213 N HA 0.181 4.620 4.740 -0.502 0.000 0.249 213 N C -2.830 172.548 175.510 -0.219 0.000 1.021 213 N CA -1.358 51.609 53.050 -0.138 0.000 0.886 213 N CB 1.686 40.133 38.487 -0.068 0.000 1.149 213 N HN 0.029 nan 8.380 nan 0.000 0.517 214 P HA 0.147 nan 4.420 nan 0.000 0.280 214 P C -0.862 176.088 177.300 -0.584 0.000 1.244 214 P CA -0.353 62.270 63.100 -0.795 0.000 0.784 214 P CB 1.163 31.764 31.700 -1.833 0.000 0.913 215 M N 2.499 121.859 119.600 -0.401 0.000 2.591 215 M HA 0.715 4.893 4.480 -0.502 0.000 0.306 215 M C -1.092 175.153 176.300 -0.091 0.000 1.190 215 M CA -0.415 54.738 55.300 -0.245 0.000 0.889 215 M CB 2.544 35.053 32.600 -0.150 0.000 1.728 215 M HN 0.558 nan 8.290 nan 0.000 0.458 216 G N 3.512 112.358 108.800 0.077 0.000 2.706 216 G HA2 0.765 4.424 3.960 -0.502 0.000 0.297 216 G HA3 0.765 4.424 3.960 -0.502 0.000 0.297 216 G C -1.986 173.001 174.900 0.145 0.000 1.403 216 G CA -0.564 44.625 45.100 0.148 0.000 0.954 216 G HN 0.785 nan 8.290 nan 0.000 0.500 217 F N -0.028 119.876 119.950 -0.077 0.000 2.631 217 F HA 0.839 5.067 4.527 -0.498 0.000 0.308 217 F C -0.210 175.564 175.800 -0.042 0.000 1.097 217 F CA -1.580 56.374 58.000 -0.078 0.000 0.952 217 F CB 1.583 40.517 39.000 -0.110 0.000 1.307 217 F HN 0.635 nan 8.300 nan 0.000 0.450 218 S N 1.262 116.997 115.700 0.059 0.000 2.565 218 S HA 0.629 4.798 4.470 -0.502 0.000 0.290 218 S C -1.586 173.165 174.600 0.252 0.000 1.150 218 S CA -0.526 57.690 58.200 0.027 0.000 1.058 218 S CB 1.439 64.654 63.200 0.024 0.000 1.032 218 S HN 0.853 nan 8.310 nan 0.000 0.510 219 Y N 1.758 122.135 120.300 0.128 0.000 2.334 219 Y HA 0.444 4.692 4.550 -0.504 0.000 0.336 219 Y C -0.775 175.241 175.900 0.193 0.000 0.960 219 Y CA -0.858 57.400 58.100 0.263 0.000 1.164 219 Y CB 1.307 40.028 38.460 0.436 0.000 1.155 219 Y HN 0.874 nan 8.280 nan 0.000 0.478 220 D N 4.385 124.607 120.400 -0.296 0.000 2.396 220 D HA 0.203 4.542 4.640 -0.502 0.000 0.225 220 D C -0.768 175.352 176.300 -0.300 0.000 1.121 220 D CA -0.071 53.819 54.000 -0.183 0.000 0.853 220 D CB 0.888 41.618 40.800 -0.116 0.000 1.043 220 D HN 0.470 nan 8.370 nan 0.000 0.500 221 T N 3.959 118.517 114.554 0.007 0.000 2.832 221 T HA 0.169 4.218 4.350 -0.502 0.000 0.296 221 T C 0.499 175.282 174.700 0.138 0.000 0.968 221 T CA -0.478 61.718 62.100 0.161 0.000 1.107 221 T CB 0.669 69.854 68.868 0.529 0.000 0.916 221 T HN 0.287 nan 8.240 nan 0.000 0.517 222 R N 2.068 122.611 120.500 0.071 0.000 2.421 222 R HA 0.101 4.140 4.340 -0.502 0.000 0.305 222 R C 0.383 176.778 176.300 0.157 0.000 1.039 222 R CA -0.117 56.020 56.100 0.062 0.000 1.003 222 R CB -0.456 29.824 30.300 -0.034 0.000 0.959 222 R HN 0.946 nan 8.270 nan 0.000 0.427 223 C N 6.375 125.799 119.300 0.206 0.000 3.349 223 C HA -0.188 3.971 4.460 -0.502 0.000 0.275 223 C C 1.354 176.563 174.990 0.365 0.000 1.322 223 C CA 0.182 59.378 59.018 0.296 0.000 2.261 223 C CB -2.294 25.661 27.740 0.358 0.000 1.446 223 C HN 1.029 nan 8.230 nan 0.000 0.533 224 F N 1.718 121.790 119.950 0.202 0.000 2.120 224 F HA -0.096 4.130 4.527 -0.501 0.000 0.300 224 F C 1.760 177.677 175.800 0.195 0.000 1.095 224 F CA 2.485 60.605 58.000 0.200 0.000 1.249 224 F CB -0.107 38.997 39.000 0.174 0.000 0.995 224 F HN 0.549 nan 8.300 nan 0.000 0.480 225 D N -0.418 120.242 120.400 0.434 0.000 2.123 225 D HA -0.156 4.183 4.640 -0.502 0.000 0.196 225 D C 2.420 178.803 176.300 0.137 0.000 0.992 225 D CA 1.691 55.873 54.000 0.303 0.000 0.833 225 D CB -0.456 40.520 40.800 0.293 0.000 0.954 225 D HN 0.242 nan 8.370 nan 0.000 0.455 226 S N -0.662 115.141 115.700 0.172 0.000 2.481 226 S HA -0.085 4.084 4.470 -0.502 0.000 0.231 226 S C 1.969 176.538 174.600 -0.051 0.000 0.996 226 S CA 1.214 59.421 58.200 0.011 0.000 0.942 226 S CB -0.154 63.083 63.200 0.061 0.000 0.768 226 S HN 0.508 nan 8.310 nan 0.000 0.520 227 T N -0.548 114.069 114.554 0.105 0.000 3.067 227 T HA 0.131 4.180 4.350 -0.502 0.000 0.261 227 T C 0.606 175.238 174.700 -0.112 0.000 1.110 227 T CA 0.013 62.155 62.100 0.071 0.000 1.113 227 T CB -0.391 68.496 68.868 0.030 0.000 0.917 227 T HN 0.038 nan 8.240 nan 0.000 0.499 228 V N 4.166 123.974 119.914 -0.177 0.000 2.446 228 V HA 0.302 4.120 4.120 -0.502 0.000 0.276 228 V C 1.174 177.213 176.094 -0.091 0.000 1.030 228 V CA -0.178 62.035 62.300 -0.145 0.000 1.033 228 V CB -0.138 31.639 31.823 -0.077 0.000 0.993 228 V HN 0.724 nan 8.190 nan 0.000 0.477 229 T N 0.889 115.401 114.554 -0.071 0.000 2.897 229 T HA 0.302 4.351 4.350 -0.502 0.000 0.278 229 T C 1.064 175.743 174.700 -0.034 0.000 0.981 229 T CA -0.250 61.814 62.100 -0.060 0.000 0.973 229 T CB 1.454 70.281 68.868 -0.068 0.000 1.092 229 T HN 0.669 nan 8.240 nan 0.000 0.543 230 E N 0.353 120.540 120.200 -0.021 0.000 2.077 230 E HA -0.255 3.793 4.350 -0.502 0.000 0.193 230 E C 1.955 178.555 176.600 0.001 0.000 0.989 230 E CA 1.522 57.923 56.400 0.002 0.000 0.800 230 E CB -0.252 29.459 29.700 0.017 0.000 0.746 230 E HN 0.758 nan 8.360 nan 0.000 0.452 231 N N 0.807 119.497 118.700 -0.017 0.000 2.061 231 N HA -0.215 4.223 4.740 -0.502 0.000 0.193 231 N C 1.467 176.982 175.510 0.008 0.000 1.030 231 N CA 2.215 55.257 53.050 -0.014 0.000 0.856 231 N CB -0.159 38.298 38.487 -0.049 0.000 1.023 231 N HN 0.146 nan 8.380 nan 0.000 0.424 232 D N -0.090 120.313 120.400 0.005 0.000 2.117 232 D HA -0.110 4.228 4.640 -0.502 0.000 0.197 232 D C 1.953 178.262 176.300 0.014 0.000 0.987 232 D CA 1.011 55.028 54.000 0.028 0.000 0.829 232 D CB -0.223 40.585 40.800 0.013 0.000 0.961 232 D HN 0.478 nan 8.370 nan 0.000 0.460 233 I N 0.480 121.059 120.570 0.016 0.000 2.439 233 I HA -0.139 3.730 4.170 -0.502 0.000 0.251 233 I C 2.441 178.569 176.117 0.019 0.000 1.139 233 I CA 0.636 61.955 61.300 0.031 0.000 1.438 233 I CB -0.033 38.009 38.000 0.069 0.000 1.085 233 I HN -0.126 nan 8.210 nan 0.000 0.427 234 R N 0.166 120.675 120.500 0.014 0.000 2.092 234 R HA -0.082 3.957 4.340 -0.502 0.000 0.231 234 R C 2.339 178.616 176.300 -0.038 0.000 1.119 234 R CA 1.047 57.148 56.100 0.003 0.000 0.970 234 R CB -0.379 29.927 30.300 0.010 0.000 0.864 234 R HN 0.204 nan 8.270 nan 0.000 0.440 235 V N 1.431 121.323 119.914 -0.037 0.000 2.295 235 V HA -0.239 3.580 4.120 -0.502 0.000 0.246 235 V C 1.958 177.948 176.094 -0.174 0.000 1.049 235 V CA 1.815 64.076 62.300 -0.065 0.000 1.024 235 V CB -0.425 31.398 31.823 -0.000 0.000 0.648 235 V HN 0.338 nan 8.190 nan 0.000 0.447 236 E N -0.169 119.900 120.200 -0.218 0.000 2.065 236 E HA -0.315 3.734 4.350 -0.502 0.000 0.201 236 E C 2.315 178.391 176.600 -0.873 0.000 1.016 236 E CA 1.809 57.910 56.400 -0.499 0.000 0.818 236 E CB -0.225 29.267 29.700 -0.347 0.000 0.749 236 E HN 0.645 nan 8.360 nan 0.000 0.453 237 E N 0.386 120.332 120.200 -0.423 0.000 2.085 237 E HA -0.216 3.832 4.350 -0.502 0.000 0.194 237 E C 2.174 178.687 176.600 -0.145 0.000 0.994 237 E CA 1.602 57.891 56.400 -0.185 0.000 0.801 237 E CB -0.002 29.728 29.700 0.049 0.000 0.743 237 E HN 0.257 nan 8.360 nan 0.000 0.453 238 S N 0.328 115.948 115.700 -0.135 0.000 2.399 238 S HA -0.158 4.010 4.470 -0.502 0.000 0.231 238 S C 2.054 176.596 174.600 -0.098 0.000 1.022 238 S CA 1.051 59.203 58.200 -0.080 0.000 0.983 238 S CB -0.555 62.609 63.200 -0.060 0.000 0.803 238 S HN 0.290 nan 8.310 nan 0.000 0.480 239 I N 0.313 120.766 120.570 -0.195 0.000 2.202 239 I HA -0.155 3.713 4.170 -0.502 0.000 0.242 239 I C 2.405 178.499 176.117 -0.038 0.000 1.091 239 I CA 1.432 62.639 61.300 -0.156 0.000 1.368 239 I CB -0.579 37.288 38.000 -0.222 0.000 1.058 239 I HN 0.213 nan 8.210 nan 0.000 0.410 240 Y N 1.077 121.368 120.300 -0.016 0.000 2.165 240 Y HA -0.252 3.976 4.550 -0.536 0.000 0.286 240 Y C 2.678 178.579 175.900 0.002 0.000 1.155 240 Y CA 0.766 58.862 58.100 -0.007 0.000 1.164 240 Y CB -1.185 37.284 38.460 0.016 0.000 0.978 240 Y HN 0.256 nan 8.280 nan 0.000 0.513 241 Q N -1.095 118.796 119.800 0.152 0.000 2.364 241 Q HA -0.126 3.913 4.340 -0.502 0.000 0.207 241 Q C 2.364 178.394 176.000 0.051 0.000 0.970 241 Q CA 1.047 56.903 55.803 0.089 0.000 0.888 241 Q CB -0.849 27.926 28.738 0.061 0.000 0.951 241 Q HN 0.536 nan 8.270 nan 0.000 0.469 242 C N 0.352 119.673 119.300 0.035 0.000 2.419 242 C HA -0.075 4.084 4.460 -0.502 0.000 0.281 242 C C 1.649 176.653 174.990 0.023 0.000 1.336 242 C CA -0.672 58.356 59.018 0.017 0.000 1.770 242 C CB -0.836 26.903 27.740 -0.002 0.000 1.929 242 C HN 0.419 nan 8.230 nan 0.000 0.509 243 C N 2.111 121.435 119.300 0.039 0.000 2.702 243 C HA 0.087 4.246 4.460 -0.502 0.000 0.411 243 C C 0.641 175.649 174.990 0.029 0.000 1.286 243 C CA -0.259 58.778 59.018 0.031 0.000 1.979 243 C CB -0.341 27.424 27.740 0.041 0.000 2.728 243 C HN 0.523 nan 8.230 nan 0.000 0.652 244 D N 1.889 122.302 120.400 0.021 0.000 2.338 244 D HA 0.410 4.749 4.640 -0.502 0.000 0.255 244 D C -0.647 175.671 176.300 0.029 0.000 1.237 244 D CA 0.388 54.401 54.000 0.022 0.000 0.883 244 D CB 0.014 40.823 40.800 0.015 0.000 1.087 244 D HN 0.413 nan 8.370 nan 0.000 0.485 245 L N 2.220 123.465 121.223 0.036 0.000 2.388 245 L HA 0.606 4.645 4.340 -0.502 0.000 0.264 245 L C 0.317 177.217 176.870 0.049 0.000 0.998 245 L CA -1.372 53.497 54.840 0.047 0.000 0.817 245 L CB 1.921 44.015 42.059 0.057 0.000 1.338 245 L HN 0.358 nan 8.230 nan 0.000 0.414 246 A N 2.424 125.280 122.820 0.060 0.000 2.483 246 A HA 0.306 4.325 4.320 -0.502 0.000 0.238 246 A C -1.781 175.844 177.584 0.070 0.000 1.070 246 A CA -0.723 51.353 52.037 0.065 0.000 0.770 246 A CB -0.165 18.883 19.000 0.080 0.000 1.008 246 A HN 0.647 nan 8.150 nan 0.000 0.497 247 P HA -0.200 nan 4.420 nan 0.000 0.216 247 P C 1.124 178.458 177.300 0.057 0.000 1.154 247 P CA 1.786 64.915 63.100 0.048 0.000 0.865 247 P CB 0.163 31.886 31.700 0.039 0.000 0.789 248 E N -0.917 119.341 120.200 0.097 0.000 2.153 248 E HA -0.142 3.906 4.350 -0.502 0.000 0.194 248 E C 2.057 178.740 176.600 0.139 0.000 0.988 248 E CA 1.042 57.519 56.400 0.129 0.000 0.811 248 E CB -0.438 29.435 29.700 0.288 0.000 0.746 248 E HN 0.163 nan 8.360 nan 0.000 0.466 249 A N 1.461 124.391 122.820 0.184 0.000 1.902 249 A HA -0.188 3.831 4.320 -0.502 0.000 0.217 249 A C 2.046 179.683 177.584 0.088 0.000 1.181 249 A CA 1.146 53.294 52.037 0.184 0.000 0.623 249 A CB -0.322 18.774 19.000 0.161 0.000 0.818 249 A HN 0.084 nan 8.150 nan 0.000 0.443 250 R N -1.112 119.424 120.500 0.061 0.000 2.073 250 R HA -0.187 3.852 4.340 -0.502 0.000 0.234 250 R C 2.529 178.832 176.300 0.004 0.000 1.134 250 R CA 1.717 57.842 56.100 0.041 0.000 0.952 250 R CB -0.350 29.970 30.300 0.034 0.000 0.850 250 R HN 0.632 nan 8.270 nan 0.000 0.433 251 Q N 0.853 120.635 119.800 -0.030 0.000 2.030 251 Q HA -0.132 3.907 4.340 -0.502 0.000 0.204 251 Q C 1.960 177.872 176.000 -0.147 0.000 0.986 251 Q CA 2.249 58.002 55.803 -0.084 0.000 0.843 251 Q CB -0.366 28.310 28.738 -0.104 0.000 0.904 251 Q HN 0.345 nan 8.270 nan 0.000 0.420 252 A N -0.127 122.558 122.820 -0.225 0.000 1.933 252 A HA -0.136 3.883 4.320 -0.502 0.000 0.218 252 A C 2.131 179.634 177.584 -0.135 0.000 1.175 252 A CA 1.557 53.395 52.037 -0.332 0.000 0.628 252 A CB -0.696 17.945 19.000 -0.597 0.000 0.814 252 A HN 0.496 nan 8.150 nan 0.000 0.444 253 I N -0.797 119.761 120.570 -0.021 0.000 2.353 253 I HA -0.192 3.676 4.170 -0.502 0.000 0.248 253 I C 2.438 178.598 176.117 0.071 0.000 1.119 253 I CA 1.562 62.905 61.300 0.072 0.000 1.417 253 I CB -0.153 37.924 38.000 0.128 0.000 1.078 253 I HN 0.366 nan 8.210 nan 0.000 0.421 254 K N 0.582 120.996 120.400 0.024 0.000 2.026 254 K HA -0.214 3.805 4.320 -0.502 0.000 0.208 254 K C 2.357 178.938 176.600 -0.031 0.000 1.048 254 K CA 1.873 58.167 56.287 0.012 0.000 0.929 254 K CB -0.137 32.358 32.500 -0.008 0.000 0.713 254 K HN 0.110 nan 8.250 nan 0.000 0.439 255 S N 0.520 116.169 115.700 -0.084 0.000 2.356 255 S HA -0.078 4.091 4.470 -0.502 0.000 0.223 255 S C 1.938 176.441 174.600 -0.161 0.000 1.032 255 S CA 1.156 59.282 58.200 -0.123 0.000 1.005 255 S CB -0.268 62.828 63.200 -0.173 0.000 0.867 255 S HN 0.357 nan 8.310 nan 0.000 0.449 256 L N 0.720 121.820 121.223 -0.205 0.000 2.083 256 L HA -0.100 3.939 4.340 -0.502 0.000 0.209 256 L C 2.761 179.331 176.870 -0.500 0.000 1.083 256 L CA 1.532 56.127 54.840 -0.409 0.000 0.752 256 L CB -0.977 40.811 42.059 -0.452 0.000 0.899 256 L HN 0.334 nan 8.230 nan 0.000 0.433 257 T N -1.024 113.443 114.554 -0.146 0.000 2.708 257 T HA -0.145 3.904 4.350 -0.502 0.000 0.266 257 T C 1.798 176.500 174.700 0.004 0.000 1.037 257 T CA 1.151 63.295 62.100 0.074 0.000 1.146 257 T CB -0.097 68.888 68.868 0.196 0.000 0.865 257 T HN 0.286 nan 8.240 nan 0.000 0.435 258 E N 1.155 121.339 120.200 -0.027 0.000 2.072 258 E HA -0.041 4.008 4.350 -0.502 0.000 0.191 258 E C 2.329 178.907 176.600 -0.037 0.000 0.985 258 E CA 1.042 57.431 56.400 -0.019 0.000 0.801 258 E CB -0.131 29.554 29.700 -0.025 0.000 0.750 258 E HN 0.465 nan 8.360 nan 0.000 0.452 259 R N -0.659 119.789 120.500 -0.087 0.000 2.237 259 R HA 0.121 4.160 4.340 -0.502 0.000 0.195 259 R C 1.834 178.070 176.300 -0.106 0.000 0.956 259 R CA 0.215 56.265 56.100 -0.083 0.000 1.029 259 R CB 0.294 30.536 30.300 -0.097 0.000 0.972 259 R HN 0.043 nan 8.270 nan 0.000 0.493 260 L N -2.055 119.061 121.223 -0.179 0.000 2.691 260 L HA 0.195 4.233 4.340 -0.502 0.000 0.185 260 L C 1.246 178.082 176.870 -0.057 0.000 1.081 260 L CA 0.856 55.586 54.840 -0.183 0.000 0.865 260 L CB -0.306 41.548 42.059 -0.342 0.000 1.370 260 L HN -0.126 nan 8.230 nan 0.000 0.488 261 Y N 0.383 120.698 120.300 0.024 0.000 2.242 261 Y HA -0.022 4.234 4.550 -0.490 0.000 0.291 261 Y C 2.547 178.455 175.900 0.013 0.000 1.137 261 Y CA 1.311 59.434 58.100 0.038 0.000 1.181 261 Y CB -0.887 37.621 38.460 0.080 0.000 0.989 261 Y HN 0.132 nan 8.280 nan 0.000 0.527 262 I N -1.016 119.638 120.570 0.140 0.000 2.315 262 I HA -0.040 3.829 4.170 -0.502 0.000 0.248 262 I C 1.229 177.355 176.117 0.015 0.000 1.117 262 I CA 1.312 62.656 61.300 0.072 0.000 1.404 262 I CB -0.359 37.675 38.000 0.057 0.000 1.071 262 I HN 0.302 nan 8.210 nan 0.000 0.419 263 G N -0.977 107.810 108.800 -0.022 0.000 2.313 263 G HA2 0.490 4.148 3.960 -0.502 0.000 0.296 263 G HA3 0.490 4.148 3.960 -0.502 0.000 0.296 263 G C -1.042 173.692 174.900 -0.276 0.000 1.356 263 G CA -0.109 44.909 45.100 -0.137 0.000 0.833 263 G HN 0.408 nan 8.290 nan 0.000 0.552 264 G N -0.892 107.442 108.800 -0.777 0.000 2.336 264 G HA2 0.679 4.337 3.960 -0.502 0.000 0.300 264 G HA3 0.679 4.337 3.960 -0.502 0.000 0.300 264 G C -3.446 170.758 174.900 -1.160 0.000 1.375 264 G CA 0.078 44.640 45.100 -0.896 0.000 0.885 264 G HN 0.769 nan 8.290 nan 0.000 0.599 265 P HA 0.433 nan 4.420 nan 0.000 0.272 265 P C -0.583 176.622 177.300 -0.158 0.000 1.223 265 P CA -0.088 62.895 63.100 -0.195 0.000 0.784 265 P CB 1.126 32.846 31.700 0.033 0.000 0.923 266 L N 1.978 123.161 121.223 -0.066 0.000 2.343 266 L HA 0.395 4.433 4.340 -0.502 0.000 0.278 266 L C 0.182 177.059 176.870 0.012 0.000 0.996 266 L CA -0.207 54.618 54.840 -0.025 0.000 0.831 266 L CB 1.880 43.961 42.059 0.037 0.000 1.232 266 L HN 0.262 nan 8.230 nan 0.000 0.413 267 T N 1.596 116.134 114.554 -0.028 0.000 2.807 267 T HA 0.322 4.371 4.350 -0.502 0.000 0.279 267 T C -0.112 174.568 174.700 -0.032 0.000 0.993 267 T CA -0.774 61.312 62.100 -0.023 0.000 0.970 267 T CB 1.400 70.238 68.868 -0.049 0.000 0.950 267 T HN 0.622 nan 8.240 nan 0.000 0.441 268 N N 0.939 119.638 118.700 -0.002 0.000 2.347 268 N HA 0.089 4.528 4.740 -0.502 0.000 0.253 268 N C 1.416 176.917 175.510 -0.015 0.000 1.274 268 N CA -0.281 52.768 53.050 -0.001 0.000 0.941 268 N CB 0.176 38.672 38.487 0.016 0.000 1.200 268 N HN 0.452 nan 8.380 nan 0.000 0.514 269 S N -1.179 114.521 115.700 0.001 0.000 2.469 269 S HA -0.088 4.080 4.470 -0.502 0.000 0.238 269 S C 0.893 175.491 174.600 -0.004 0.000 0.998 269 S CA 0.656 58.859 58.200 0.006 0.000 0.957 269 S CB -0.428 62.790 63.200 0.030 0.000 0.764 269 S HN 0.643 nan 8.310 nan 0.000 0.514 270 K N 0.547 120.945 120.400 -0.004 0.000 2.374 270 K HA 0.312 4.330 4.320 -0.502 0.000 0.196 270 K C 1.150 177.742 176.600 -0.013 0.000 1.023 270 K CA 0.334 56.617 56.287 -0.007 0.000 1.103 270 K CB 0.095 32.595 32.500 0.000 0.000 0.848 270 K HN 0.507 nan 8.250 nan 0.000 0.528 271 G N 1.816 110.604 108.800 -0.020 0.000 2.157 271 G HA2 -0.283 3.375 3.960 -0.502 0.000 0.248 271 G HA3 -0.283 3.375 3.960 -0.502 0.000 0.248 271 G C -0.292 174.603 174.900 -0.008 0.000 0.979 271 G CA -0.138 44.948 45.100 -0.024 0.000 0.650 271 G HN 0.363 nan 8.290 nan 0.000 0.529 272 Q N 0.006 119.807 119.800 0.003 0.000 2.235 272 Q HA 0.457 4.496 4.340 -0.502 0.000 0.250 272 Q C 0.056 176.074 176.000 0.030 0.000 0.909 272 Q CA -0.789 55.024 55.803 0.017 0.000 0.910 272 Q CB 1.043 29.795 28.738 0.022 0.000 1.223 272 Q HN 0.240 nan 8.270 nan 0.000 0.432 273 N N 1.020 119.744 118.700 0.040 0.000 2.452 273 N HA 0.001 4.440 4.740 -0.502 0.000 0.266 273 N C -0.445 175.120 175.510 0.092 0.000 1.175 273 N CA 0.055 53.141 53.050 0.060 0.000 0.945 273 N CB 0.511 39.035 38.487 0.061 0.000 1.063 273 N HN 0.611 nan 8.380 nan 0.000 0.472 274 C N 2.155 121.531 119.300 0.125 0.000 2.735 274 C HA 0.595 4.754 4.460 -0.502 0.000 0.271 274 C C 1.219 176.400 174.990 0.318 0.000 1.281 274 C CA 0.499 59.648 59.018 0.218 0.000 1.719 274 C CB -1.298 26.591 27.740 0.249 0.000 2.024 274 C HN 0.933 nan 8.230 nan 0.000 0.566 275 G N -1.071 107.837 108.800 0.180 0.000 2.347 275 G HA2 0.260 3.918 3.960 -0.502 0.000 0.224 275 G HA3 0.260 3.918 3.960 -0.502 0.000 0.224 275 G C -2.053 172.877 174.900 0.051 0.000 1.318 275 G CA -0.381 44.771 45.100 0.086 0.000 1.016 275 G HN 0.070 nan 8.290 nan 0.000 0.469 276 Y N 0.616 120.782 120.300 -0.224 0.000 2.442 276 Y HA 0.715 4.964 4.550 -0.501 0.000 0.330 276 Y C -0.151 175.611 175.900 -0.231 0.000 1.100 276 Y CA -0.771 57.226 58.100 -0.171 0.000 1.034 276 Y CB 1.845 40.220 38.460 -0.141 0.000 1.285 276 Y HN 0.749 nan 8.280 nan 0.000 0.440 277 R N 4.891 125.130 120.500 -0.435 0.000 2.474 277 R HA 0.598 4.637 4.340 -0.502 0.000 0.295 277 R C -0.736 175.359 176.300 -0.342 0.000 0.980 277 R CA -0.598 55.249 56.100 -0.421 0.000 0.934 277 R CB 0.977 31.102 30.300 -0.292 0.000 1.101 277 R HN 0.918 nan 8.270 nan 0.000 0.469 278 R N 3.242 123.526 120.500 -0.359 0.000 2.668 278 R HA 0.215 4.254 4.340 -0.502 0.000 0.435 278 R C -0.622 175.537 176.300 -0.234 0.000 1.059 278 R CA -0.335 55.651 56.100 -0.190 0.000 1.073 278 R CB 0.485 30.728 30.300 -0.095 0.000 1.401 278 R HN 0.799 nan 8.270 nan 0.000 0.590 279 C N -1.782 117.333 119.300 -0.309 0.000 3.321 279 C HA 0.619 4.778 4.460 -0.502 0.000 0.363 279 C C -0.246 174.678 174.990 -0.110 0.000 1.705 279 C CA -1.492 57.389 59.018 -0.230 0.000 1.298 279 C CB 1.236 28.770 27.740 -0.343 0.000 2.086 279 C HN 0.377 nan 8.230 nan 0.000 0.438 280 R N 1.326 121.812 120.500 -0.023 0.000 2.502 280 R HA 0.468 4.506 4.340 -0.502 0.000 0.292 280 R C 0.121 176.479 176.300 0.097 0.000 0.998 280 R CA 0.928 57.068 56.100 0.067 0.000 1.056 280 R CB -0.234 30.147 30.300 0.135 0.000 0.939 280 R HN 1.211 nan 8.270 nan 0.000 0.411 281 A N 3.804 126.695 122.820 0.118 0.000 2.409 281 A HA 0.204 4.223 4.320 -0.502 0.000 0.267 281 A C 0.968 178.656 177.584 0.172 0.000 1.127 281 A CA 0.136 52.265 52.037 0.154 0.000 0.795 281 A CB 0.291 19.389 19.000 0.163 0.000 1.061 281 A HN 1.012 nan 8.150 nan 0.000 0.502 282 S N 2.011 117.826 115.700 0.193 0.000 2.522 282 S HA 0.102 4.271 4.470 -0.502 0.000 0.227 282 S C 1.029 175.731 174.600 0.171 0.000 0.986 282 S CA 0.653 58.963 58.200 0.184 0.000 0.929 282 S CB 0.120 63.436 63.200 0.193 0.000 0.769 282 S HN 1.276 nan 8.310 nan 0.000 0.529 283 G N 1.762 110.684 108.800 0.202 0.000 4.757 283 G HA2 0.527 4.186 3.960 -0.502 0.000 0.303 283 G HA3 0.527 4.186 3.960 -0.502 0.000 0.303 283 G C -0.231 174.799 174.900 0.217 0.000 1.318 283 G CA -0.195 45.032 45.100 0.210 0.000 1.020 283 G HN 0.521 nan 8.290 nan 0.000 0.589 284 V N -2.403 117.619 119.914 0.181 0.000 3.046 284 V HA 0.577 4.395 4.120 -0.502 0.000 0.316 284 V C 1.379 177.548 176.094 0.126 0.000 1.104 284 V CA -0.967 61.453 62.300 0.200 0.000 1.006 284 V CB 1.719 33.721 31.823 0.298 0.000 1.058 284 V HN 0.069 nan 8.190 nan 0.000 0.440 285 L N 2.447 123.756 121.223 0.143 0.000 2.079 285 L HA -0.079 3.959 4.340 -0.502 0.000 0.210 285 L C 2.315 179.195 176.870 0.017 0.000 1.081 285 L CA 3.124 58.029 54.840 0.108 0.000 0.752 285 L CB -0.723 41.422 42.059 0.144 0.000 0.896 285 L HN 1.105 nan 8.230 nan 0.000 0.433 286 T N -6.175 108.306 114.554 -0.122 0.000 3.129 286 T HA 0.007 4.056 4.350 -0.502 0.000 0.251 286 T C 1.564 176.204 174.700 -0.100 0.000 1.117 286 T CA 0.687 62.662 62.100 -0.208 0.000 1.034 286 T CB -0.645 67.905 68.868 -0.530 0.000 0.968 286 T HN 0.261 nan 8.240 nan 0.000 0.526 287 T N 1.887 116.421 114.554 -0.033 0.000 2.684 287 T HA -0.151 3.897 4.350 -0.502 0.000 0.267 287 T C 2.188 176.917 174.700 0.048 0.000 1.036 287 T CA 1.768 63.890 62.100 0.036 0.000 1.148 287 T CB -0.563 68.350 68.868 0.075 0.000 0.863 287 T HN 0.531 nan 8.240 nan 0.000 0.436 288 S N -0.417 115.289 115.700 0.010 0.000 2.345 288 S HA -0.120 4.049 4.470 -0.502 0.000 0.219 288 S C 2.433 177.064 174.600 0.052 0.000 1.031 288 S CA 1.170 59.374 58.200 0.006 0.000 0.984 288 S CB -0.896 62.211 63.200 -0.155 0.000 0.874 288 S HN 0.665 nan 8.310 nan 0.000 0.451 289 C N 1.357 120.656 119.300 -0.001 0.000 2.432 289 C HA 0.077 4.236 4.460 -0.502 0.000 0.277 289 C C 2.828 177.865 174.990 0.079 0.000 1.249 289 C CA 1.156 60.183 59.018 0.014 0.000 1.725 289 C CB -1.769 25.945 27.740 -0.042 0.000 2.028 289 C HN 0.715 nan 8.230 nan 0.000 0.477 290 G N 0.432 109.292 108.800 0.101 0.000 2.446 290 G HA2 -0.241 3.418 3.960 -0.502 0.000 0.217 290 G HA3 -0.241 3.418 3.960 -0.502 0.000 0.217 290 G C 1.512 176.509 174.900 0.163 0.000 1.168 290 G CA 1.172 46.346 45.100 0.123 0.000 0.771 290 G HN 0.587 nan 8.290 nan 0.000 0.551 291 N N 0.300 119.100 118.700 0.167 0.000 2.120 291 N HA -0.072 4.366 4.740 -0.502 0.000 0.188 291 N C 2.415 177.973 175.510 0.081 0.000 1.024 291 N CA 1.615 54.767 53.050 0.168 0.000 0.852 291 N CB -0.675 37.815 38.487 0.005 0.000 1.003 291 N HN 0.257 nan 8.380 nan 0.000 0.424 292 T N 1.386 115.997 114.554 0.096 0.000 2.737 292 T HA 0.016 4.065 4.350 -0.502 0.000 0.265 292 T C 2.107 176.881 174.700 0.124 0.000 1.038 292 T CA 0.647 62.812 62.100 0.109 0.000 1.144 292 T CB -0.245 68.745 68.868 0.204 0.000 0.866 292 T HN 0.120 nan 8.240 nan 0.000 0.434 293 L N 0.628 121.905 121.223 0.090 0.000 2.017 293 L HA -0.108 3.930 4.340 -0.502 0.000 0.208 293 L C 2.945 179.905 176.870 0.151 0.000 1.073 293 L CA 1.238 56.119 54.840 0.069 0.000 0.745 293 L CB -0.974 41.085 42.059 0.000 0.000 0.894 293 L HN 0.276 nan 8.230 nan 0.000 0.432 294 T N -1.368 113.299 114.554 0.188 0.000 2.777 294 T HA -0.223 3.826 4.350 -0.502 0.000 0.266 294 T C 2.027 176.923 174.700 0.327 0.000 1.040 294 T CA 1.379 63.622 62.100 0.239 0.000 1.141 294 T CB -0.470 68.564 68.868 0.275 0.000 0.868 294 T HN 0.451 nan 8.240 nan 0.000 0.444 295 C N 0.746 120.293 119.300 0.413 0.000 2.413 295 C HA -0.133 4.026 4.460 -0.502 0.000 0.276 295 C C 2.386 177.534 174.990 0.263 0.000 1.236 295 C CA 0.709 59.950 59.018 0.372 0.000 1.735 295 C CB -1.407 26.427 27.740 0.157 0.000 2.031 295 C HN 0.653 nan 8.230 nan 0.000 0.474 296 Y N 0.849 121.209 120.300 0.100 0.000 2.181 296 Y HA -0.114 4.163 4.550 -0.454 0.000 0.288 296 Y C 2.176 178.094 175.900 0.030 0.000 1.146 296 Y CA 2.072 60.208 58.100 0.060 0.000 1.164 296 Y CB -0.553 37.925 38.460 0.029 0.000 0.982 296 Y HN 0.347 nan 8.280 nan 0.000 0.515 297 L N 1.142 122.444 121.223 0.132 0.000 1.976 297 L HA -0.208 3.831 4.340 -0.502 0.000 0.209 297 L C 2.139 178.937 176.870 -0.120 0.000 1.071 297 L CA 2.055 56.859 54.840 -0.061 0.000 0.746 297 L CB -1.005 40.986 42.059 -0.113 0.000 0.890 297 L HN 0.154 nan 8.230 nan 0.000 0.432 298 K N -0.511 119.887 120.400 -0.004 0.000 2.063 298 K HA -0.124 3.895 4.320 -0.502 0.000 0.208 298 K C 2.030 178.659 176.600 0.048 0.000 1.048 298 K CA 1.464 57.777 56.287 0.043 0.000 0.928 298 K CB -0.419 32.185 32.500 0.173 0.000 0.713 298 K HN 0.516 nan 8.250 nan 0.000 0.442 299 A N 0.906 123.735 122.820 0.015 0.000 1.929 299 A HA -0.085 3.934 4.320 -0.502 0.000 0.216 299 A C 2.191 179.787 177.584 0.021 0.000 1.176 299 A CA 1.465 53.519 52.037 0.027 0.000 0.628 299 A CB -0.344 18.761 19.000 0.176 0.000 0.816 299 A HN 0.148 nan 8.150 nan 0.000 0.444 300 S N 0.073 115.685 115.700 -0.147 0.000 2.368 300 S HA -0.029 4.140 4.470 -0.502 0.000 0.225 300 S C 2.257 176.808 174.600 -0.081 0.000 1.030 300 S CA 1.167 59.248 58.200 -0.197 0.000 0.999 300 S CB -0.370 62.565 63.200 -0.442 0.000 0.844 300 S HN 0.769 nan 8.310 nan 0.000 0.459 301 A N 1.380 124.172 122.820 -0.046 0.000 1.929 301 A HA 0.270 4.289 4.320 -0.502 0.000 0.216 301 A C 2.315 179.951 177.584 0.086 0.000 1.176 301 A CA 1.417 53.489 52.037 0.058 0.000 0.628 301 A CB -0.912 18.138 19.000 0.083 0.000 0.816 301 A HN 0.491 nan 8.150 nan 0.000 0.444 302 A N -0.929 121.929 122.820 0.063 0.000 1.930 302 A HA -0.182 3.837 4.320 -0.502 0.000 0.217 302 A C 2.364 179.922 177.584 -0.044 0.000 1.175 302 A CA 1.595 53.508 52.037 -0.206 0.000 0.627 302 A CB -1.390 17.110 19.000 -0.834 0.000 0.815 302 A HN 0.872 nan 8.150 nan 0.000 0.443 303 c N 0.044 118.739 118.600 0.158 0.000 2.429 303 c HA -0.101 4.168 4.570 -0.502 0.000 0.277 303 c C 2.832 176.933 174.090 0.018 0.000 1.262 303 c CA 1.416 57.880 56.329 0.225 0.000 1.733 303 c CB -1.320 41.299 42.510 0.181 0.000 2.010 303 c HN 0.645 nan 8.230 nan 0.000 0.483 304 R N 0.932 121.364 120.500 -0.114 0.000 2.081 304 R HA -0.059 3.980 4.340 -0.502 0.000 0.235 304 R C 2.578 178.589 176.300 -0.482 0.000 1.131 304 R CA 1.649 57.568 56.100 -0.302 0.000 0.960 304 R CB -0.650 29.410 30.300 -0.400 0.000 0.856 304 R HN 0.623 nan 8.270 nan 0.000 0.436 305 A N 1.297 123.819 122.820 -0.497 0.000 1.940 305 A HA -0.114 3.905 4.320 -0.502 0.000 0.219 305 A C 2.219 179.745 177.584 -0.097 0.000 1.176 305 A CA 1.813 53.690 52.037 -0.267 0.000 0.631 305 A CB -0.492 18.429 19.000 -0.133 0.000 0.814 305 A HN 0.409 nan 8.150 nan 0.000 0.446 306 A N -1.535 121.258 122.820 -0.045 0.000 2.251 306 A HA 0.273 4.291 4.320 -0.502 0.000 0.209 306 A C 0.956 178.547 177.584 0.011 0.000 1.187 306 A CA 0.635 52.684 52.037 0.018 0.000 0.823 306 A CB -0.328 18.744 19.000 0.118 0.000 0.846 306 A HN 0.449 nan 8.150 nan 0.000 0.486 307 K N -0.586 119.806 120.400 -0.013 0.000 3.035 307 K HA -0.178 3.841 4.320 -0.502 0.000 0.262 307 K C -0.739 175.866 176.600 0.009 0.000 1.024 307 K CA 0.533 56.816 56.287 -0.005 0.000 0.748 307 K CB -2.067 30.434 32.500 0.002 0.000 1.247 307 K HN 0.545 nan 8.250 nan 0.000 0.482 308 L N 1.626 122.864 121.223 0.026 0.000 2.453 308 L HA 0.027 4.066 4.340 -0.502 0.000 0.272 308 L C 1.132 178.010 176.870 0.014 0.000 1.182 308 L CA 0.171 55.028 54.840 0.029 0.000 0.858 308 L CB 0.371 42.468 42.059 0.063 0.000 1.120 308 L HN 0.067 nan 8.230 nan 0.000 0.474 309 Q N 2.786 122.588 119.800 0.002 0.000 2.274 309 Q HA 0.088 4.127 4.340 -0.502 0.000 0.256 309 Q C -0.257 175.732 176.000 -0.018 0.000 0.927 309 Q CA -0.279 55.520 55.803 -0.008 0.000 0.939 309 Q CB 1.391 30.121 28.738 -0.013 0.000 1.201 309 Q HN 0.513 nan 8.270 nan 0.000 0.426 310 D N 0.969 121.359 120.400 -0.016 0.000 2.775 310 D HA -0.158 4.181 4.640 -0.502 0.000 0.235 310 D C -1.008 175.275 176.300 -0.029 0.000 1.120 310 D CA 0.192 54.177 54.000 -0.025 0.000 0.708 310 D CB -1.095 39.679 40.800 -0.043 0.000 1.084 310 D HN 0.575 nan 8.370 nan 0.000 0.434 311 c N 0.909 119.501 118.600 -0.013 0.000 2.648 311 c HA 0.271 4.539 4.570 -0.502 0.000 0.406 311 c C 1.020 175.105 174.090 -0.008 0.000 1.406 311 c CA 0.180 56.501 56.329 -0.014 0.000 1.610 311 c CB -0.458 42.055 42.510 0.006 0.000 2.451 311 c HN 0.298 nan 8.230 nan 0.000 0.608 312 T N 6.989 121.529 114.554 -0.023 0.000 2.779 312 T HA 0.469 4.518 4.350 -0.502 0.000 0.280 312 T C -0.079 174.640 174.700 0.031 0.000 0.987 312 T CA -0.252 61.863 62.100 0.024 0.000 0.966 312 T CB 0.779 69.641 68.868 -0.011 0.000 0.933 312 T HN 0.529 nan 8.240 nan 0.000 0.442 313 M N 3.307 122.970 119.600 0.105 0.000 2.472 313 M HA 0.604 4.783 4.480 -0.502 0.000 0.331 313 M C -1.142 175.275 176.300 0.195 0.000 1.170 313 M CA -1.110 54.247 55.300 0.096 0.000 1.009 313 M CB 1.823 34.470 32.600 0.079 0.000 1.672 313 M HN 0.310 nan 8.290 nan 0.000 0.453 314 L N 3.088 124.383 121.223 0.120 0.000 2.446 314 L HA 0.617 4.656 4.340 -0.502 0.000 0.268 314 L C -1.526 175.342 176.870 -0.004 0.000 0.975 314 L CA -0.438 54.464 54.840 0.102 0.000 0.848 314 L CB 1.754 43.910 42.059 0.161 0.000 1.225 314 L HN 0.491 nan 8.230 nan 0.000 0.410 315 V N 4.114 124.000 119.914 -0.047 0.000 2.483 315 V HA 0.567 4.386 4.120 -0.502 0.000 0.297 315 V C -0.723 175.197 176.094 -0.290 0.000 1.027 315 V CA -0.629 61.627 62.300 -0.073 0.000 0.855 315 V CB 1.833 33.708 31.823 0.086 0.000 0.995 315 V HN 0.761 nan 8.190 nan 0.000 0.424 316 N N 3.850 122.304 118.700 -0.410 0.000 2.623 316 N HA 0.640 5.078 4.740 -0.502 0.000 0.256 316 N C 0.595 175.906 175.510 -0.332 0.000 1.045 316 N CA 0.643 53.168 53.050 -0.875 0.000 0.863 316 N CB 1.726 39.523 38.487 -1.150 0.000 1.182 316 N HN 1.086 nan 8.380 nan 0.000 0.523 317 G N 2.358 111.153 108.800 -0.010 0.000 2.561 317 G HA2 -0.375 3.283 3.960 -0.502 0.000 0.289 317 G HA3 -0.375 3.283 3.960 -0.502 0.000 0.289 317 G C 0.431 175.200 174.900 -0.219 0.000 1.169 317 G CA 0.617 45.729 45.100 0.021 0.000 0.980 317 G HN 0.603 nan 8.290 nan 0.000 0.550 318 D N 1.194 121.366 120.400 -0.380 0.000 2.340 318 D HA 0.105 4.444 4.640 -0.502 0.000 0.220 318 D C 0.410 176.606 176.300 -0.174 0.000 1.039 318 D CA 0.790 54.449 54.000 -0.569 0.000 0.866 318 D CB -0.109 40.149 40.800 -0.905 0.000 0.913 318 D HN 0.417 nan 8.370 nan 0.000 0.523 319 D N 0.830 121.160 120.400 -0.117 0.000 2.325 319 D HA 0.231 4.570 4.640 -0.502 0.000 0.251 319 D C -0.955 175.314 176.300 -0.052 0.000 1.196 319 D CA -0.483 53.482 54.000 -0.059 0.000 0.866 319 D CB 0.819 41.576 40.800 -0.073 0.000 1.101 319 D HN 0.080 nan 8.370 nan 0.000 0.476 320 L N 5.029 126.262 121.223 0.017 0.000 2.381 320 L HA 0.435 4.473 4.340 -0.502 0.000 0.274 320 L C -1.564 175.290 176.870 -0.026 0.000 0.988 320 L CA -0.608 54.251 54.840 0.032 0.000 0.824 320 L CB 1.878 44.028 42.059 0.153 0.000 1.263 320 L HN 0.093 nan 8.230 nan 0.000 0.410 321 V N 4.647 124.507 119.914 -0.089 0.000 2.680 321 V HA 0.727 4.545 4.120 -0.502 0.000 0.309 321 V C -0.515 175.408 176.094 -0.285 0.000 1.052 321 V CA -0.817 61.369 62.300 -0.189 0.000 0.908 321 V CB 1.809 33.561 31.823 -0.118 0.000 1.001 321 V HN 0.518 nan 8.190 nan 0.000 0.431 322 V N 4.974 124.533 119.914 -0.593 0.000 2.540 322 V HA 0.569 4.387 4.120 -0.502 0.000 0.302 322 V C -0.451 175.404 176.094 -0.397 0.000 1.035 322 V CA -0.381 61.570 62.300 -0.582 0.000 0.873 322 V CB 1.908 33.125 31.823 -1.010 0.000 0.992 322 V HN 0.736 nan 8.190 nan 0.000 0.428 323 I N 5.035 125.495 120.570 -0.183 0.000 2.436 323 I HA 0.709 4.578 4.170 -0.502 0.000 0.289 323 I C -0.075 175.976 176.117 -0.110 0.000 1.010 323 I CA -0.321 60.922 61.300 -0.095 0.000 1.098 323 I CB 1.644 39.630 38.000 -0.023 0.000 1.266 323 I HN 0.894 nan 8.210 nan 0.000 0.434 324 C N 2.582 121.817 119.300 -0.109 0.000 3.335 324 C HA 0.555 4.713 4.460 -0.502 0.000 0.356 324 C C -0.681 174.236 174.990 -0.122 0.000 1.570 324 C CA -0.898 58.067 59.018 -0.089 0.000 1.271 324 C CB 1.861 29.589 27.740 -0.021 0.000 1.873 324 C HN 0.628 nan 8.230 nan 0.000 0.439 325 E N 1.850 121.999 120.200 -0.086 0.000 2.290 325 E HA 0.299 4.348 4.350 -0.502 0.000 0.277 325 E C 0.188 176.762 176.600 -0.043 0.000 1.035 325 E CA 0.495 56.845 56.400 -0.085 0.000 0.873 325 E CB 1.669 31.331 29.700 -0.064 0.000 1.029 325 E HN 0.710 nan 8.360 nan 0.000 0.419 326 S N 1.701 117.384 115.700 -0.028 0.000 2.579 326 S HA 0.275 4.444 4.470 -0.502 0.000 0.275 326 S C 0.379 174.993 174.600 0.023 0.000 1.345 326 S CA 0.111 58.340 58.200 0.047 0.000 1.031 326 S CB 0.580 63.859 63.200 0.132 0.000 0.892 326 S HN 0.520 nan 8.310 nan 0.000 0.529 327 A N 3.001 125.842 122.820 0.036 0.000 2.637 327 A HA 0.647 4.666 4.320 -0.502 0.000 0.293 327 A C 0.845 178.434 177.584 0.009 0.000 1.216 327 A CA 0.195 52.240 52.037 0.012 0.000 0.956 327 A CB -0.939 18.065 19.000 0.007 0.000 1.174 327 A HN 1.912 nan 8.150 nan 0.000 0.525 328 G N -0.748 108.058 108.800 0.010 0.000 2.758 328 G HA2 -0.065 3.594 3.960 -0.502 0.000 0.686 328 G HA3 -0.065 3.594 3.960 -0.502 0.000 0.686 328 G C 0.742 175.643 174.900 0.002 0.000 1.389 328 G CA 0.179 45.261 45.100 -0.031 0.000 0.845 328 G HN 1.307 nan 8.290 nan 0.000 0.572 329 T N -2.133 112.386 114.554 -0.060 0.000 2.684 329 T HA -0.166 3.883 4.350 -0.502 0.000 0.267 329 T C 2.062 176.789 174.700 0.046 0.000 1.036 329 T CA 2.256 64.363 62.100 0.012 0.000 1.148 329 T CB -0.224 68.605 68.868 -0.066 0.000 0.863 329 T HN 0.606 nan 8.240 nan 0.000 0.436 330 Q N 0.771 120.577 119.800 0.010 0.000 2.119 330 Q HA 0.014 4.052 4.340 -0.502 0.000 0.201 330 Q C 2.327 178.333 176.000 0.010 0.000 0.972 330 Q CA 1.688 57.496 55.803 0.009 0.000 0.847 330 Q CB -0.431 28.305 28.738 -0.003 0.000 0.903 330 Q HN 0.669 nan 8.270 nan 0.000 0.433 331 E N 1.096 121.302 120.200 0.010 0.000 2.107 331 E HA -0.132 3.917 4.350 -0.502 0.000 0.191 331 E C 1.315 177.918 176.600 0.006 0.000 0.982 331 E CA 1.019 57.422 56.400 0.005 0.000 0.809 331 E CB 0.025 29.727 29.700 0.004 0.000 0.756 331 E HN 0.179 nan 8.360 nan 0.000 0.459 332 D N 0.077 120.494 120.400 0.028 0.000 2.123 332 D HA -0.171 4.168 4.640 -0.502 0.000 0.196 332 D C 1.768 178.051 176.300 -0.028 0.000 0.992 332 D CA 1.612 55.623 54.000 0.019 0.000 0.833 332 D CB -0.496 40.371 40.800 0.113 0.000 0.954 332 D HN 0.313 nan 8.370 nan 0.000 0.455 333 A N 0.962 123.782 122.820 0.000 0.000 1.908 333 A HA -0.083 3.936 4.320 -0.502 0.000 0.218 333 A C 2.315 179.877 177.584 -0.036 0.000 1.181 333 A CA 2.408 54.433 52.037 -0.021 0.000 0.627 333 A CB -0.726 18.278 19.000 0.006 0.000 0.818 333 A HN 0.251 nan 8.150 nan 0.000 0.445 334 A N -0.666 122.141 122.820 -0.022 0.000 1.898 334 A HA -0.028 3.991 4.320 -0.502 0.000 0.216 334 A C 2.424 179.992 177.584 -0.027 0.000 1.181 334 A CA 1.933 53.959 52.037 -0.019 0.000 0.620 334 A CB -0.848 18.146 19.000 -0.010 0.000 0.819 334 A HN 0.454 nan 8.150 nan 0.000 0.442 335 S N 0.031 115.709 115.700 -0.037 0.000 2.383 335 S HA -0.110 4.059 4.470 -0.502 0.000 0.229 335 S C 1.803 176.363 174.600 -0.068 0.000 1.030 335 S CA 1.435 59.610 58.200 -0.041 0.000 1.002 335 S CB -0.434 62.737 63.200 -0.048 0.000 0.829 335 S HN 0.507 nan 8.310 nan 0.000 0.467 336 L N 0.762 121.892 121.223 -0.153 0.000 2.093 336 L HA -0.055 3.984 4.340 -0.502 0.000 0.208 336 L C 2.746 179.590 176.870 -0.043 0.000 1.085 336 L CA 1.086 55.783 54.840 -0.238 0.000 0.755 336 L CB -0.386 41.443 42.059 -0.382 0.000 0.904 336 L HN 0.243 nan 8.230 nan 0.000 0.435 337 R N -0.641 119.842 120.500 -0.028 0.000 2.096 337 R HA -0.136 3.902 4.340 -0.502 0.000 0.235 337 R C 2.178 178.486 176.300 0.013 0.000 1.127 337 R CA 1.222 57.325 56.100 0.006 0.000 0.968 337 R CB -0.314 29.983 30.300 -0.005 0.000 0.861 337 R HN 0.209 nan 8.270 nan 0.000 0.440 338 V N 0.360 120.278 119.914 0.007 0.000 2.453 338 V HA -0.198 3.620 4.120 -0.502 0.000 0.247 338 V C 1.829 177.919 176.094 -0.007 0.000 1.048 338 V CA 1.351 63.646 62.300 -0.008 0.000 1.049 338 V CB -0.510 31.309 31.823 -0.008 0.000 0.672 338 V HN 0.214 nan 8.190 nan 0.000 0.457 339 F N 1.575 121.455 119.950 -0.117 0.000 2.095 339 F HA -0.257 3.967 4.527 -0.506 0.000 0.298 339 F C 2.391 178.102 175.800 -0.148 0.000 1.104 339 F CA 2.401 60.321 58.000 -0.133 0.000 1.232 339 F CB -0.412 38.497 39.000 -0.150 0.000 0.987 339 F HN 0.117 nan 8.300 nan 0.000 0.475 340 T N -0.112 114.498 114.554 0.094 0.000 2.857 340 T HA -0.151 3.898 4.350 -0.502 0.000 0.266 340 T C 1.692 176.367 174.700 -0.043 0.000 1.048 340 T CA 1.517 63.674 62.100 0.095 0.000 1.139 340 T CB -0.292 68.720 68.868 0.240 0.000 0.874 340 T HN 0.374 nan 8.240 nan 0.000 0.455 341 E N 1.210 121.369 120.200 -0.069 0.000 2.058 341 E HA -0.133 3.916 4.350 -0.502 0.000 0.194 341 E C 2.560 179.020 176.600 -0.234 0.000 0.997 341 E CA 1.146 57.479 56.400 -0.112 0.000 0.801 341 E CB -0.237 29.411 29.700 -0.086 0.000 0.746 341 E HN 0.478 nan 8.360 nan 0.000 0.450 342 A N 1.249 123.867 122.820 -0.337 0.000 1.877 342 A HA -0.200 3.819 4.320 -0.502 0.000 0.216 342 A C 2.170 179.292 177.584 -0.770 0.000 1.186 342 A CA 1.386 53.064 52.037 -0.599 0.000 0.620 342 A CB -0.369 18.305 19.000 -0.544 0.000 0.822 342 A HN 0.124 nan 8.150 nan 0.000 0.443 343 M N -0.172 119.096 119.600 -0.553 0.000 2.149 343 M HA -0.127 4.052 4.480 -0.502 0.000 0.261 343 M C 2.157 178.376 176.300 -0.134 0.000 1.064 343 M CA 2.100 57.200 55.300 -0.333 0.000 1.102 343 M CB -1.946 30.390 32.600 -0.441 0.000 1.369 343 M HN 0.469 nan 8.290 nan 0.000 0.408 344 T N -0.218 114.259 114.554 -0.129 0.000 2.777 344 T HA -0.074 3.975 4.350 -0.502 0.000 0.266 344 T C 1.983 176.631 174.700 -0.086 0.000 1.040 344 T CA 0.970 63.038 62.100 -0.052 0.000 1.141 344 T CB -0.140 68.708 68.868 -0.034 0.000 0.868 344 T HN 0.370 nan 8.240 nan 0.000 0.444 345 R N 0.110 120.497 120.500 -0.188 0.000 2.120 345 R HA -0.065 3.974 4.340 -0.502 0.000 0.234 345 R C 1.670 177.923 176.300 -0.077 0.000 1.123 345 R CA 1.140 57.134 56.100 -0.177 0.000 0.975 345 R CB -0.286 29.846 30.300 -0.279 0.000 0.866 345 R HN 0.418 nan 8.270 nan 0.000 0.446 346 Y N 0.176 120.416 120.300 -0.101 0.000 2.553 346 Y HA 0.078 4.329 4.550 -0.499 0.000 0.303 346 Y C 0.861 176.706 175.900 -0.091 0.000 1.194 346 Y CA -0.337 57.691 58.100 -0.119 0.000 1.305 346 Y CB -0.354 38.059 38.460 -0.077 0.000 1.045 346 Y HN -0.049 nan 8.280 nan 0.000 0.514 347 S N 0.001 115.740 115.700 0.065 0.000 3.886 347 S HA -0.073 4.096 4.470 -0.502 0.000 0.398 347 S C -0.060 174.562 174.600 0.037 0.000 0.931 347 S CA 0.477 58.701 58.200 0.040 0.000 1.217 347 S CB -1.400 61.806 63.200 0.010 0.000 0.874 347 S HN 0.742 nan 8.310 nan 0.000 0.521 348 A N 1.998 124.865 122.820 0.078 0.000 3.464 348 A HA 0.558 4.577 4.320 -0.502 0.000 0.243 348 A C -2.375 175.348 177.584 0.231 0.000 1.100 348 A CA -0.572 51.545 52.037 0.133 0.000 0.957 348 A CB 0.929 20.040 19.000 0.185 0.000 1.340 348 A HN 0.426 nan 8.150 nan 0.000 0.645 349 P HA 0.378 nan 4.420 nan 0.000 0.274 349 P C -2.954 174.417 177.300 0.119 0.000 1.246 349 P CA -1.262 61.916 63.100 0.130 0.000 0.795 349 P CB 0.588 32.294 31.700 0.009 0.000 1.006 350 P HA 0.136 nan 4.420 nan 0.000 0.282 350 P C 0.625 177.864 177.300 -0.102 0.000 1.249 350 P CA 0.007 63.018 63.100 -0.149 0.000 0.806 350 P CB 1.038 32.659 31.700 -0.131 0.000 0.984 351 G N 2.150 110.877 108.800 -0.123 0.000 2.658 351 G HA2 -0.013 3.646 3.960 -0.502 0.000 0.217 351 G HA3 -0.013 3.646 3.960 -0.502 0.000 0.217 351 G C 0.037 174.895 174.900 -0.069 0.000 1.319 351 G CA 0.255 45.313 45.100 -0.071 0.000 0.885 351 G HN 0.461 nan 8.290 nan 0.000 0.553 352 D N 1.757 122.113 120.400 -0.074 0.000 2.304 352 D HA 0.335 4.673 4.640 -0.502 0.000 0.250 352 D C -2.286 173.976 176.300 -0.062 0.000 1.107 352 D CA -0.950 53.019 54.000 -0.051 0.000 0.885 352 D CB 1.548 42.328 40.800 -0.033 0.000 1.192 352 D HN -0.026 nan 8.370 nan 0.000 0.436 353 P HA 0.139 nan 4.420 nan 0.000 0.268 353 P C -2.342 174.970 177.300 0.020 0.000 1.204 353 P CA -0.982 62.120 63.100 0.003 0.000 0.768 353 P CB -0.215 31.492 31.700 0.011 0.000 0.842 354 P HA 0.077 nan 4.420 nan 0.000 0.268 354 P C -0.626 176.687 177.300 0.023 0.000 1.205 354 P CA 0.194 63.355 63.100 0.102 0.000 0.771 354 P CB 0.823 32.643 31.700 0.200 0.000 0.858 355 Q N 3.242 123.070 119.800 0.048 0.000 2.322 355 Q HA 0.357 4.396 4.340 -0.502 0.000 0.265 355 Q C -2.229 173.782 176.000 0.018 0.000 0.985 355 Q CA -2.128 53.687 55.803 0.019 0.000 0.849 355 Q CB 2.025 30.782 28.738 0.032 0.000 1.274 355 Q HN 0.376 nan 8.270 nan 0.000 0.449 356 P HA 0.098 nan 4.420 nan 0.000 0.275 356 P C -0.926 176.257 177.300 -0.196 0.000 1.227 356 P CA -0.074 62.953 63.100 -0.121 0.000 0.781 356 P CB 1.116 32.728 31.700 -0.146 0.000 0.906 357 E N 1.985 121.999 120.200 -0.310 0.000 2.266 357 E HA 0.234 4.283 4.350 -0.502 0.000 0.268 357 E C -0.611 175.780 176.600 -0.349 0.000 0.879 357 E CA -0.469 55.802 56.400 -0.216 0.000 0.762 357 E CB 1.494 31.166 29.700 -0.048 0.000 1.199 357 E HN 0.445 nan 8.360 nan 0.000 0.422 358 Y N -0.161 120.280 120.300 0.234 0.000 2.612 358 Y HA 0.203 4.453 4.550 -0.500 0.000 0.250 358 Y C 0.195 176.335 175.900 0.400 0.000 1.175 358 Y CA -0.449 57.857 58.100 0.344 0.000 1.205 358 Y CB 1.018 39.583 38.460 0.175 0.000 1.201 358 Y HN 0.231 nan 8.280 nan 0.000 0.532 359 D N 0.398 120.932 120.400 0.223 0.000 2.620 359 D HA 0.108 4.447 4.640 -0.502 0.000 0.252 359 D C 0.583 176.606 176.300 -0.463 0.000 1.207 359 D CA -0.388 53.586 54.000 -0.043 0.000 0.884 359 D CB 1.705 42.510 40.800 0.008 0.000 1.262 359 D HN 0.102 nan 8.370 nan 0.000 0.552 360 L N 4.255 124.826 121.223 -1.087 0.000 2.129 360 L HA -0.106 3.933 4.340 -0.502 0.000 0.212 360 L C 1.566 178.100 176.870 -0.559 0.000 1.087 360 L CA 1.987 56.094 54.840 -1.221 0.000 0.757 360 L CB -0.315 40.853 42.059 -1.484 0.000 0.896 360 L HN 0.533 nan 8.230 nan 0.000 0.434 361 E N -0.837 119.136 120.200 -0.378 0.000 2.338 361 E HA -0.134 3.915 4.350 -0.502 0.000 0.197 361 E C 1.867 178.373 176.600 -0.157 0.000 1.007 361 E CA 0.709 56.978 56.400 -0.218 0.000 0.849 361 E CB -0.128 29.489 29.700 -0.138 0.000 0.774 361 E HN 0.548 nan 8.360 nan 0.000 0.506 362 L N 0.824 121.953 121.223 -0.156 0.000 2.592 362 L HA 0.208 4.247 4.340 -0.502 0.000 0.227 362 L C 0.656 177.474 176.870 -0.087 0.000 1.127 362 L CA -0.132 54.654 54.840 -0.089 0.000 0.884 362 L CB 0.192 42.223 42.059 -0.047 0.000 1.065 362 L HN 0.018 nan 8.230 nan 0.000 0.457 363 I N 0.091 120.581 120.570 -0.133 0.000 2.342 363 I HA 0.112 3.981 4.170 -0.502 0.000 0.291 363 I C 0.101 176.171 176.117 -0.078 0.000 1.010 363 I CA 0.144 61.383 61.300 -0.101 0.000 1.308 363 I CB 1.442 39.361 38.000 -0.136 0.000 1.400 363 I HN -0.093 nan 8.210 nan 0.000 0.488 364 T N 5.152 119.682 114.554 -0.041 0.000 2.767 364 T HA 0.500 4.549 4.350 -0.502 0.000 0.284 364 T C -0.299 174.393 174.700 -0.013 0.000 0.973 364 T CA -0.605 61.483 62.100 -0.020 0.000 0.996 364 T CB 0.941 69.807 68.868 -0.004 0.000 0.927 364 T HN 0.743 nan 8.240 nan 0.000 0.456 365 S N 0.685 116.380 115.700 -0.008 0.000 2.541 365 S HA 0.393 4.562 4.470 -0.502 0.000 0.271 365 S C 0.024 174.632 174.600 0.013 0.000 1.133 365 S CA -0.904 57.291 58.200 -0.010 0.000 0.876 365 S CB 0.553 63.730 63.200 -0.038 0.000 1.105 365 S HN 0.884 nan 8.310 nan 0.000 0.470 366 C N 2.100 121.405 119.300 0.008 0.000 3.886 366 C HA -0.159 4.000 4.460 -0.502 0.000 0.295 366 C C 1.432 176.490 174.990 0.114 0.000 1.411 366 C CA 0.821 59.867 59.018 0.047 0.000 2.059 366 C CB -3.309 24.447 27.740 0.027 0.000 1.329 366 C HN 1.650 nan 8.230 nan 0.000 0.670 367 S N -1.967 113.791 115.700 0.095 0.000 3.270 367 S HA -0.199 3.969 4.470 -0.502 0.000 0.293 367 S C 0.268 174.946 174.600 0.130 0.000 1.278 367 S CA 1.309 59.576 58.200 0.111 0.000 1.038 367 S CB -0.925 62.362 63.200 0.144 0.000 1.218 367 S HN 1.031 nan 8.310 nan 0.000 0.659 368 S N 1.988 117.765 115.700 0.128 0.000 2.568 368 S HA 0.692 4.861 4.470 -0.502 0.000 0.293 368 S C -0.309 174.325 174.600 0.057 0.000 1.089 368 S CA -1.000 57.294 58.200 0.158 0.000 0.945 368 S CB 1.659 65.021 63.200 0.270 0.000 1.077 368 S HN 0.557 nan 8.310 nan 0.000 0.485 369 N N -0.146 118.571 118.700 0.028 0.000 2.328 369 N HA 0.482 4.921 4.740 -0.502 0.000 0.299 369 N C -1.097 174.356 175.510 -0.095 0.000 1.179 369 N CA -0.622 52.399 53.050 -0.048 0.000 0.793 369 N CB 1.067 39.517 38.487 -0.063 0.000 1.366 369 N HN 0.311 nan 8.380 nan 0.000 0.493 370 V N 0.602 120.426 119.914 -0.150 0.000 2.637 370 V HA 0.272 4.091 4.120 -0.502 0.000 0.296 370 V C 0.574 176.539 176.094 -0.216 0.000 1.046 370 V CA 0.204 62.388 62.300 -0.193 0.000 1.066 370 V CB 0.714 32.407 31.823 -0.217 0.000 0.968 370 V HN 0.874 nan 8.190 nan 0.000 0.483 371 S N 3.104 118.592 115.700 -0.354 0.000 2.720 371 S HA 0.771 4.940 4.470 -0.502 0.000 0.287 371 S C -1.310 173.154 174.600 -0.226 0.000 1.168 371 S CA -0.434 57.591 58.200 -0.292 0.000 0.832 371 S CB 2.055 65.062 63.200 -0.322 0.000 1.166 371 S HN 0.745 nan 8.310 nan 0.000 0.493 372 V N 1.325 121.209 119.914 -0.050 0.000 2.588 372 V HA 0.953 4.771 4.120 -0.502 0.000 0.304 372 V C -0.239 175.819 176.094 -0.060 0.000 1.042 372 V CA 0.276 62.504 62.300 -0.120 0.000 0.877 372 V CB 0.824 32.458 31.823 -0.315 0.000 0.996 372 V HN 1.259 nan 8.190 nan 0.000 0.425 373 A N 4.756 127.434 122.820 -0.238 0.000 2.486 373 A HA 0.956 4.974 4.320 -0.502 0.000 0.277 373 A C -1.364 175.747 177.584 -0.788 0.000 1.282 373 A CA -0.610 51.096 52.037 -0.553 0.000 0.784 373 A CB 1.510 19.993 19.000 -0.861 0.000 1.350 373 A HN 1.037 nan 8.150 nan 0.000 0.454 374 H N 0.065 118.803 119.070 -0.554 0.000 2.600 374 H HA 0.464 4.719 4.556 -0.501 0.000 0.357 374 H C -0.788 174.230 175.328 -0.516 0.000 1.106 374 H CA -0.432 55.311 56.048 -0.509 0.000 1.193 374 H CB 1.349 30.773 29.762 -0.562 0.000 1.594 374 H HN 0.793 nan 8.280 nan 0.000 0.526 375 D N 1.232 121.538 120.400 -0.158 0.000 2.447 375 D HA 0.155 4.493 4.640 -0.502 0.000 0.265 375 D C 1.324 177.677 176.300 0.087 0.000 1.250 375 D CA -0.274 53.693 54.000 -0.055 0.000 1.046 375 D CB 0.306 41.084 40.800 -0.036 0.000 1.095 375 D HN 0.512 nan 8.370 nan 0.000 0.555 376 A N -0.354 122.536 122.820 0.117 0.000 2.024 376 A HA -0.143 3.876 4.320 -0.502 0.000 0.220 376 A C 2.008 179.660 177.584 0.114 0.000 1.164 376 A CA 2.302 54.421 52.037 0.138 0.000 0.643 376 A CB -1.050 17.998 19.000 0.081 0.000 0.806 376 A HN 0.625 nan 8.150 nan 0.000 0.451 377 S N -2.522 113.226 115.700 0.080 0.000 2.593 377 S HA 0.390 4.559 4.470 -0.502 0.000 0.217 377 S C 1.441 176.078 174.600 0.061 0.000 0.966 377 S CA 1.033 59.267 58.200 0.057 0.000 0.914 377 S CB -0.072 63.150 63.200 0.037 0.000 0.776 377 S HN 1.874 nan 8.310 nan 0.000 0.523 378 G N 1.299 110.154 108.800 0.091 0.000 2.217 378 G HA2 -0.308 3.351 3.960 -0.502 0.000 0.246 378 G HA3 -0.308 3.351 3.960 -0.502 0.000 0.246 378 G C 0.040 174.991 174.900 0.085 0.000 0.990 378 G CA 0.158 45.293 45.100 0.058 0.000 0.627 378 G HN 0.728 nan 8.290 nan 0.000 0.522 379 K N 1.342 121.776 120.400 0.057 0.000 2.489 379 K HA 0.303 4.322 4.320 -0.502 0.000 0.278 379 K C 0.905 177.500 176.600 -0.009 0.000 1.000 379 K CA -0.353 55.955 56.287 0.033 0.000 1.012 379 K CB 0.205 32.705 32.500 0.000 0.000 0.903 379 K HN 0.368 nan 8.250 nan 0.000 0.485 380 R N 1.965 122.422 120.500 -0.071 0.000 2.570 380 R HA 0.053 4.092 4.340 -0.502 0.000 0.277 380 R C -0.497 175.596 176.300 -0.345 0.000 1.039 380 R CA -0.061 55.825 56.100 -0.357 0.000 1.065 380 R CB 0.813 30.894 30.300 -0.365 0.000 0.964 380 R HN 0.383 nan 8.270 nan 0.000 0.428 381 V N 5.115 124.775 119.914 -0.423 0.000 2.577 381 V HA 0.336 4.154 4.120 -0.502 0.000 0.303 381 V C -1.355 174.590 176.094 -0.250 0.000 1.042 381 V CA -0.806 61.334 62.300 -0.267 0.000 0.872 381 V CB 1.228 32.959 31.823 -0.155 0.000 0.998 381 V HN 0.592 nan 8.190 nan 0.000 0.423 382 Y N 7.625 127.923 120.300 -0.003 0.000 2.359 382 Y HA 0.627 4.876 4.550 -0.501 0.000 0.330 382 Y C 0.150 176.116 175.900 0.109 0.000 1.143 382 Y CA 0.365 58.467 58.100 0.003 0.000 1.318 382 Y CB 0.999 39.421 38.460 -0.063 0.000 1.234 382 Y HN 0.837 nan 8.280 nan 0.000 0.522 383 Y N -0.411 119.952 120.300 0.104 0.000 2.670 383 Y HA 0.737 4.985 4.550 -0.503 0.000 0.334 383 Y C -2.181 173.781 175.900 0.103 0.000 1.185 383 Y CA -2.118 56.027 58.100 0.075 0.000 1.053 383 Y CB 0.805 39.282 38.460 0.028 0.000 1.298 383 Y HN 0.386 nan 8.280 nan 0.000 0.459 384 L N 2.231 123.507 121.223 0.088 0.000 2.295 384 L HA 0.719 4.757 4.340 -0.502 0.000 0.285 384 L C 0.081 177.132 176.870 0.302 0.000 1.035 384 L CA -0.434 54.449 54.840 0.071 0.000 0.806 384 L CB 1.911 44.049 42.059 0.131 0.000 1.214 384 L HN 0.982 nan 8.230 nan 0.000 0.426 385 T N 2.750 117.426 114.554 0.202 0.000 2.804 385 T HA 0.802 4.850 4.350 -0.502 0.000 0.290 385 T C -1.201 173.622 174.700 0.204 0.000 1.099 385 T CA -0.635 61.668 62.100 0.339 0.000 1.011 385 T CB 1.703 70.756 68.868 0.309 0.000 1.291 385 T HN 0.780 nan 8.240 nan 0.000 0.523 386 R N 0.524 121.082 120.500 0.096 0.000 2.752 386 R HA 0.490 4.529 4.340 -0.502 0.000 0.271 386 R C -1.395 174.748 176.300 -0.261 0.000 1.026 386 R CA -1.019 55.026 56.100 -0.091 0.000 0.901 386 R CB 0.521 30.719 30.300 -0.170 0.000 1.243 386 R HN 0.525 nan 8.270 nan 0.000 0.463 387 D N 1.806 122.058 120.400 -0.247 0.000 2.450 387 D HA 0.049 4.388 4.640 -0.502 0.000 0.247 387 D C -1.401 174.566 176.300 -0.556 0.000 1.162 387 D CA -1.286 52.525 54.000 -0.315 0.000 0.879 387 D CB 1.262 41.955 40.800 -0.179 0.000 1.163 387 D HN 0.330 nan 8.370 nan 0.000 0.472 388 P HA 0.020 nan 4.420 nan 0.000 0.253 388 P C 1.122 178.109 177.300 -0.522 0.000 1.260 388 P CA 0.110 62.569 63.100 -1.069 0.000 0.800 388 P CB 0.278 31.199 31.700 -1.299 0.000 1.162 389 T N -0.216 114.150 114.554 -0.313 0.000 2.607 389 T HA -0.149 3.900 4.350 -0.502 0.000 0.267 389 T C 1.739 176.374 174.700 -0.108 0.000 1.049 389 T CA 2.427 64.436 62.100 -0.152 0.000 1.162 389 T CB -1.193 67.629 68.868 -0.078 0.000 0.863 389 T HN 0.192 nan 8.240 nan 0.000 0.424 390 T N 2.352 116.847 114.554 -0.099 0.000 2.684 390 T HA -0.071 3.978 4.350 -0.502 0.000 0.267 390 T C -0.525 174.130 174.700 -0.074 0.000 1.036 390 T CA 1.371 63.436 62.100 -0.059 0.000 1.148 390 T CB -1.316 67.545 68.868 -0.011 0.000 0.863 390 T HN 0.339 nan 8.240 nan 0.000 0.436 391 P HA -0.031 nan 4.420 nan 0.000 0.216 391 P C 1.493 178.821 177.300 0.047 0.000 1.153 391 P CA 0.990 64.079 63.100 -0.019 0.000 0.858 391 P CB -0.190 31.442 31.700 -0.113 0.000 0.789 392 L N -1.608 119.597 121.223 -0.031 0.000 2.109 392 L HA -0.065 3.974 4.340 -0.502 0.000 0.207 392 L C 2.451 179.358 176.870 0.061 0.000 1.086 392 L CA 1.245 56.098 54.840 0.022 0.000 0.760 392 L CB -1.036 40.996 42.059 -0.045 0.000 0.910 392 L HN -0.055 nan 8.230 nan 0.000 0.437 393 A N 0.320 123.165 122.820 0.042 0.000 1.902 393 A HA -0.187 3.832 4.320 -0.502 0.000 0.217 393 A C 2.366 180.021 177.584 0.118 0.000 1.181 393 A CA 1.329 53.412 52.037 0.078 0.000 0.623 393 A CB -0.398 18.629 19.000 0.044 0.000 0.818 393 A HN 0.314 nan 8.150 nan 0.000 0.443 394 R N -0.553 119.993 120.500 0.076 0.000 2.092 394 R HA -0.013 4.026 4.340 -0.502 0.000 0.231 394 R C 2.440 178.900 176.300 0.266 0.000 1.119 394 R CA 1.033 57.200 56.100 0.111 0.000 0.970 394 R CB -0.432 29.880 30.300 0.020 0.000 0.864 394 R HN 0.501 nan 8.270 nan 0.000 0.440 395 A N 1.409 124.408 122.820 0.297 0.000 1.933 395 A HA -0.119 3.900 4.320 -0.502 0.000 0.218 395 A C 2.362 180.179 177.584 0.389 0.000 1.175 395 A CA 1.695 54.024 52.037 0.488 0.000 0.628 395 A CB -0.531 18.769 19.000 0.500 0.000 0.814 395 A HN 0.389 nan 8.150 nan 0.000 0.444 396 A N -1.384 121.573 122.820 0.229 0.000 1.873 396 A HA -0.159 3.860 4.320 -0.502 0.000 0.215 396 A C 2.096 179.782 177.584 0.170 0.000 1.186 396 A CA 1.275 53.400 52.037 0.147 0.000 0.616 396 A CB -0.896 18.172 19.000 0.113 0.000 0.823 396 A HN 0.800 nan 8.150 nan 0.000 0.442 397 W N 1.022 122.362 121.300 0.067 0.000 2.318 397 W HA -0.192 4.168 4.660 -0.500 0.000 0.313 397 W C 1.718 178.286 176.519 0.082 0.000 1.221 397 W CA 2.145 59.520 57.345 0.049 0.000 1.266 397 W CB -0.309 29.166 29.460 0.026 0.000 1.150 397 W HN 0.550 nan 8.180 nan 0.000 0.496 398 E N -1.122 119.338 120.200 0.433 0.000 2.347 398 E HA -0.118 3.931 4.350 -0.502 0.000 0.196 398 E C 1.903 178.691 176.600 0.313 0.000 1.008 398 E CA 1.338 57.980 56.400 0.403 0.000 0.852 398 E CB -0.126 29.884 29.700 0.517 0.000 0.783 398 E HN 0.089 nan 8.360 nan 0.000 0.505 399 T N 0.188 114.889 114.554 0.244 0.000 2.951 399 T HA -0.054 3.995 4.350 -0.502 0.000 0.268 399 T C 1.743 176.421 174.700 -0.038 0.000 1.073 399 T CA 1.149 63.307 62.100 0.097 0.000 1.134 399 T CB 0.098 69.044 68.868 0.131 0.000 0.884 399 T HN 0.210 nan 8.240 nan 0.000 0.479 400 A N 0.293 123.059 122.820 -0.089 0.000 2.229 400 A HA 0.341 4.359 4.320 -0.502 0.000 0.211 400 A C 0.873 178.336 177.584 -0.201 0.000 1.193 400 A CA -0.045 51.886 52.037 -0.176 0.000 0.879 400 A CB 0.506 19.353 19.000 -0.255 0.000 0.911 400 A HN 0.109 nan 8.150 nan 0.000 0.492 401 R N 0.739 121.145 120.500 -0.158 0.000 2.548 401 R HA 0.279 4.318 4.340 -0.502 0.000 0.280 401 R C -1.608 174.680 176.300 -0.021 0.000 1.061 401 R CA -0.563 55.488 56.100 -0.082 0.000 0.915 401 R CB 0.779 31.103 30.300 0.040 0.000 1.210 401 R HN 0.407 nan 8.270 nan 0.000 0.442 402 H N 1.968 121.123 119.070 0.142 0.000 2.848 402 H HA 0.129 4.384 4.556 -0.503 0.000 0.317 402 H C 0.630 176.040 175.328 0.136 0.000 1.046 402 H CA 0.444 56.577 56.048 0.143 0.000 1.470 402 H CB 0.910 30.727 29.762 0.090 0.000 1.483 402 H HN 0.560 nan 8.280 nan 0.000 0.548 403 T N -0.017 114.679 114.554 0.237 0.000 2.942 403 T HA 0.280 4.328 4.350 -0.502 0.000 0.289 403 T C -1.763 172.976 174.700 0.065 0.000 1.044 403 T CA -2.026 60.158 62.100 0.141 0.000 1.023 403 T CB 1.975 70.917 68.868 0.123 0.000 1.123 403 T HN 0.158 nan 8.240 nan 0.000 0.512 404 P HA 0.161 nan 4.420 nan 0.000 0.221 404 P C -0.030 177.252 177.300 -0.031 0.000 1.150 404 P CA 0.192 63.267 63.100 -0.042 0.000 0.800 404 P CB 0.184 31.850 31.700 -0.058 0.000 0.787 405 V N 1.793 121.690 119.914 -0.028 0.000 2.350 405 V HA 0.198 4.017 4.120 -0.502 0.000 0.285 405 V C -0.246 175.812 176.094 -0.059 0.000 1.014 405 V CA -0.770 61.501 62.300 -0.049 0.000 0.831 405 V CB 1.129 32.920 31.823 -0.052 0.000 1.000 405 V HN 0.010 nan 8.190 nan 0.000 0.433 406 N N 3.807 122.429 118.700 -0.131 0.000 2.739 406 N HA 0.014 4.453 4.740 -0.502 0.000 0.266 406 N C 1.476 176.747 175.510 -0.398 0.000 1.168 406 N CA 0.331 53.217 53.050 -0.274 0.000 1.055 406 N CB 1.284 39.486 38.487 -0.476 0.000 1.393 406 N HN 0.817 nan 8.380 nan 0.000 0.514 407 S N 1.385 116.989 115.700 -0.160 0.000 2.419 407 S HA -0.122 4.046 4.470 -0.502 0.000 0.233 407 S C 1.827 176.385 174.600 -0.071 0.000 1.016 407 S CA 0.209 58.359 58.200 -0.084 0.000 0.974 407 S CB -0.394 62.810 63.200 0.006 0.000 0.786 407 S HN 0.777 nan 8.310 nan 0.000 0.492 408 W N 1.106 122.331 121.300 -0.125 0.000 2.363 408 W HA 0.024 4.385 4.660 -0.498 0.000 0.296 408 W C 1.639 178.083 176.519 -0.125 0.000 1.212 408 W CA 0.331 57.558 57.345 -0.198 0.000 1.260 408 W CB -0.997 27.979 29.460 -0.807 0.000 1.131 408 W HN 0.346 nan 8.180 nan 0.000 0.530 409 L N 2.818 123.412 121.223 -1.049 0.000 2.044 409 L HA 0.157 4.196 4.340 -0.502 0.000 0.205 409 L C 2.722 179.425 176.870 -0.279 0.000 1.075 409 L CA 2.746 57.082 54.840 -0.841 0.000 0.747 409 L CB -1.404 39.954 42.059 -1.169 0.000 0.903 409 L HN 0.054 nan 8.230 nan 0.000 0.435 410 G N -0.514 108.149 108.800 -0.229 0.000 2.469 410 G HA2 -0.335 3.324 3.960 -0.502 0.000 0.219 410 G HA3 -0.335 3.324 3.960 -0.502 0.000 0.219 410 G C 1.487 176.418 174.900 0.052 0.000 1.150 410 G CA 0.934 45.994 45.100 -0.068 0.000 0.763 410 G HN 0.447 nan 8.290 nan 0.000 0.561 411 N N 0.491 119.275 118.700 0.139 0.000 2.188 411 N HA 0.002 4.441 4.740 -0.502 0.000 0.184 411 N C 2.272 177.932 175.510 0.250 0.000 1.018 411 N CA 0.631 53.885 53.050 0.339 0.000 0.858 411 N CB -0.188 38.579 38.487 0.465 0.000 0.989 411 N HN 0.343 nan 8.380 nan 0.000 0.426 412 I N 0.890 121.574 120.570 0.189 0.000 2.286 412 I HA -0.207 3.662 4.170 -0.502 0.000 0.248 412 I C 1.989 178.163 176.117 0.096 0.000 1.115 412 I CA 0.786 62.177 61.300 0.151 0.000 1.392 412 I CB -0.092 38.072 38.000 0.273 0.000 1.065 412 I HN 0.054 nan 8.210 nan 0.000 0.418 413 I N -0.141 120.490 120.570 0.102 0.000 2.163 413 I HA -0.277 3.592 4.170 -0.502 0.000 0.240 413 I C 2.401 178.626 176.117 0.180 0.000 1.081 413 I CA 1.271 62.650 61.300 0.132 0.000 1.353 413 I CB -0.186 37.891 38.000 0.128 0.000 1.054 413 I HN 0.195 nan 8.210 nan 0.000 0.407 414 M N -0.877 118.762 119.600 0.066 0.000 2.388 414 M HA -0.060 4.119 4.480 -0.502 0.000 0.265 414 M C 0.974 177.155 176.300 -0.198 0.000 1.088 414 M CA 1.475 56.734 55.300 -0.068 0.000 1.134 414 M CB -0.526 31.918 32.600 -0.261 0.000 1.384 414 M HN 0.191 nan 8.290 nan 0.000 0.447 415 Y N -0.460 119.860 120.300 0.033 0.000 2.720 415 Y HA 0.469 4.719 4.550 -0.499 0.000 0.277 415 Y C 1.871 177.539 175.900 -0.387 0.000 1.144 415 Y CA -0.356 57.651 58.100 -0.154 0.000 1.221 415 Y CB -0.943 37.363 38.460 -0.257 0.000 1.163 415 Y HN 0.156 nan 8.280 nan 0.000 0.537 416 A N 1.153 123.801 122.820 -0.285 0.000 1.915 416 A HA -0.208 3.811 4.320 -0.502 0.000 0.220 416 A C -0.343 176.958 177.584 -0.472 0.000 1.198 416 A CA 1.927 53.726 52.037 -0.397 0.000 0.647 416 A CB -1.498 17.215 19.000 -0.478 0.000 0.825 416 A HN 0.282 nan 8.150 nan 0.000 0.456 417 P HA 0.031 nan 4.420 nan 0.000 0.237 417 P C 0.518 177.563 177.300 -0.425 0.000 1.178 417 P CA 1.187 64.011 63.100 -0.459 0.000 0.766 417 P CB -0.427 31.020 31.700 -0.422 0.000 0.876 418 T N -2.850 111.454 114.554 -0.418 0.000 2.899 418 T HA 0.163 4.211 4.350 -0.502 0.000 0.295 418 T C 1.106 175.410 174.700 -0.661 0.000 1.033 418 T CA -0.710 61.112 62.100 -0.465 0.000 1.084 418 T CB 0.742 69.148 68.868 -0.769 0.000 0.979 418 T HN -0.174 nan 8.240 nan 0.000 0.532 419 L N 1.713 122.444 121.223 -0.820 0.000 2.012 419 L HA -0.000 4.038 4.340 -0.502 0.000 0.210 419 L C 2.383 178.943 176.870 -0.517 0.000 1.073 419 L CA 1.742 56.046 54.840 -0.894 0.000 0.748 419 L CB -0.887 40.579 42.059 -0.989 0.000 0.891 419 L HN 0.920 nan 8.230 nan 0.000 0.431 420 W N -0.869 120.222 121.300 -0.348 0.000 2.418 420 W HA 0.098 4.456 4.660 -0.504 0.000 0.292 420 W C 1.991 178.380 176.519 -0.216 0.000 1.213 420 W CA 0.690 57.871 57.345 -0.273 0.000 1.283 420 W CB -1.285 28.047 29.460 -0.214 0.000 1.119 420 W HN 0.307 nan 8.180 nan 0.000 0.542 421 A N 1.875 124.267 122.820 -0.713 0.000 1.930 421 A HA -0.116 3.903 4.320 -0.502 0.000 0.217 421 A C 2.244 179.689 177.584 -0.231 0.000 1.175 421 A CA 1.629 53.383 52.037 -0.472 0.000 0.627 421 A CB -0.708 17.844 19.000 -0.746 0.000 0.815 421 A HN 0.311 nan 8.150 nan 0.000 0.443 422 R N -1.124 119.159 120.500 -0.363 0.000 2.062 422 R HA 0.089 4.128 4.340 -0.502 0.000 0.229 422 R C 2.260 178.421 176.300 -0.231 0.000 1.128 422 R CA 1.593 57.505 56.100 -0.314 0.000 0.960 422 R CB -0.309 29.651 30.300 -0.566 0.000 0.855 422 R HN 0.489 nan 8.270 nan 0.000 0.432 423 M N -0.272 119.056 119.600 -0.452 0.000 2.236 423 M HA -0.008 4.171 4.480 -0.502 0.000 0.266 423 M C 1.903 178.148 176.300 -0.092 0.000 1.070 423 M CA 1.513 56.604 55.300 -0.347 0.000 1.137 423 M CB 0.105 32.446 32.600 -0.431 0.000 1.378 423 M HN 0.113 nan 8.290 nan 0.000 0.426 424 I N -0.699 119.667 120.570 -0.341 0.000 3.098 424 I HA -0.099 3.769 4.170 -0.502 0.000 0.241 424 I C 2.109 178.063 176.117 -0.272 0.000 1.081 424 I CA 0.281 61.109 61.300 -0.786 0.000 1.487 424 I CB -0.353 37.124 38.000 -0.872 0.000 1.366 424 I HN 0.109 nan 8.210 nan 0.000 0.463 425 L N 0.340 121.582 121.223 0.031 0.000 1.989 425 L HA -0.251 3.788 4.340 -0.502 0.000 0.211 425 L C 2.713 179.878 176.870 0.491 0.000 1.071 425 L CA 1.799 56.846 54.840 0.346 0.000 0.749 425 L CB -0.485 41.829 42.059 0.426 0.000 0.890 425 L HN 0.307 nan 8.230 nan 0.000 0.431 426 M N -1.000 118.862 119.600 0.437 0.000 2.086 426 M HA -0.188 3.991 4.480 -0.502 0.000 0.261 426 M C 2.331 179.135 176.300 0.840 0.000 1.067 426 M CA 2.078 57.753 55.300 0.625 0.000 1.116 426 M CB -0.579 32.214 32.600 0.323 0.000 1.348 426 M HN 0.266 nan 8.290 nan 0.000 0.407 427 T N -1.241 113.768 114.554 0.760 0.000 2.622 427 T HA -0.250 3.798 4.350 -0.502 0.000 0.266 427 T C 1.659 176.634 174.700 0.459 0.000 1.047 427 T CA 2.048 64.524 62.100 0.627 0.000 1.159 427 T CB -0.609 68.664 68.868 0.674 0.000 0.863 427 T HN 0.470 nan 8.240 nan 0.000 0.422 428 H N 0.339 119.572 119.070 0.271 0.000 2.290 428 H HA -0.033 4.222 4.556 -0.503 0.000 0.298 428 H C 1.813 177.017 175.328 -0.208 0.000 1.087 428 H CA 1.676 57.751 56.048 0.044 0.000 1.291 428 H CB -0.502 29.153 29.762 -0.178 0.000 1.369 428 H HN 0.358 nan 8.280 nan 0.000 0.492 429 F N -1.212 118.705 119.950 -0.056 0.000 2.293 429 F HA 0.001 4.228 4.527 -0.500 0.000 0.297 429 F C 1.952 177.589 175.800 -0.271 0.000 1.089 429 F CA 0.514 58.248 58.000 -0.444 0.000 1.377 429 F CB -0.472 37.897 39.000 -1.052 0.000 1.051 429 F HN 0.143 nan 8.300 nan 0.000 0.511 430 F N -0.522 119.523 119.950 0.158 0.000 2.234 430 F HA -0.178 4.047 4.527 -0.503 0.000 0.299 430 F C 2.736 178.569 175.800 0.054 0.000 1.087 430 F CA 1.450 59.558 58.000 0.180 0.000 1.340 430 F CB -0.882 38.334 39.000 0.359 0.000 1.031 430 F HN -0.090 nan 8.300 nan 0.000 0.500 431 S N 0.498 116.276 115.700 0.130 0.000 2.359 431 S HA -0.203 3.966 4.470 -0.502 0.000 0.224 431 S C 2.153 176.711 174.600 -0.070 0.000 1.035 431 S CA 1.587 59.789 58.200 0.004 0.000 1.018 431 S CB -0.501 62.680 63.200 -0.031 0.000 0.876 431 S HN 0.328 nan 8.310 nan 0.000 0.448 432 I N 1.335 121.797 120.570 -0.180 0.000 2.179 432 I HA -0.188 3.680 4.170 -0.502 0.000 0.242 432 I C 2.262 178.335 176.117 -0.072 0.000 1.088 432 I CA 1.213 62.407 61.300 -0.176 0.000 1.357 432 I CB -0.353 37.470 38.000 -0.294 0.000 1.051 432 I HN 0.327 nan 8.210 nan 0.000 0.409 433 L N -0.049 121.134 121.223 -0.065 0.000 2.083 433 L HA -0.233 3.806 4.340 -0.502 0.000 0.209 433 L C 2.546 179.428 176.870 0.020 0.000 1.083 433 L CA 1.284 56.110 54.840 -0.023 0.000 0.752 433 L CB -0.578 41.423 42.059 -0.096 0.000 0.899 433 L HN 0.292 nan 8.230 nan 0.000 0.433 434 L N -0.196 121.053 121.223 0.043 0.000 1.994 434 L HA -0.206 3.833 4.340 -0.502 0.000 0.208 434 L C 2.908 179.794 176.870 0.027 0.000 1.071 434 L CA 1.365 56.240 54.840 0.057 0.000 0.745 434 L CB -0.626 41.474 42.059 0.068 0.000 0.892 434 L HN 0.231 nan 8.230 nan 0.000 0.431 435 A N -0.944 121.879 122.820 0.007 0.000 1.940 435 A HA -0.212 3.806 4.320 -0.502 0.000 0.219 435 A C 2.018 179.607 177.584 0.007 0.000 1.176 435 A CA 1.446 53.482 52.037 -0.002 0.000 0.631 435 A CB -0.297 18.690 19.000 -0.022 0.000 0.814 435 A HN 0.463 nan 8.150 nan 0.000 0.446 436 Q N -1.154 118.655 119.800 0.014 0.000 2.320 436 Q HA 0.129 4.167 4.340 -0.502 0.000 0.201 436 Q C -0.228 175.791 176.000 0.032 0.000 0.910 436 Q CA 0.446 56.265 55.803 0.027 0.000 0.946 436 Q CB 0.108 28.872 28.738 0.044 0.000 1.062 436 Q HN 0.783 nan 8.270 nan 0.000 0.503 437 E N 0.696 120.915 120.200 0.032 0.000 2.360 437 E HA -0.246 3.802 4.350 -0.502 0.000 0.238 437 E C -0.163 176.463 176.600 0.043 0.000 1.186 437 E CA 0.334 56.757 56.400 0.037 0.000 0.719 437 E CB -0.752 28.966 29.700 0.031 0.000 1.236 437 E HN 0.378 nan 8.360 nan 0.000 0.386 438 Q N -0.544 119.284 119.800 0.048 0.000 2.155 438 Q HA 0.106 4.144 4.340 -0.502 0.000 0.220 438 Q C 1.190 177.225 176.000 0.058 0.000 0.819 438 Q CA -0.507 55.329 55.803 0.054 0.000 1.032 438 Q CB 0.448 29.226 28.738 0.066 0.000 1.151 438 Q HN 0.236 nan 8.270 nan 0.000 0.487 439 L N 1.215 122.474 121.223 0.060 0.000 2.051 439 L HA -0.232 3.806 4.340 -0.502 0.000 0.214 439 L C 1.807 178.726 176.870 0.082 0.000 1.076 439 L CA 1.990 56.875 54.840 0.075 0.000 0.758 439 L CB -0.347 41.785 42.059 0.121 0.000 0.890 439 L HN 0.307 nan 8.230 nan 0.000 0.433 440 E N -1.150 119.094 120.200 0.072 0.000 2.435 440 E HA -0.078 3.971 4.350 -0.502 0.000 0.195 440 E C 0.832 177.469 176.600 0.062 0.000 1.029 440 E CA -0.134 56.305 56.400 0.066 0.000 0.865 440 E CB 0.190 29.923 29.700 0.055 0.000 0.833 440 E HN 0.265 nan 8.360 nan 0.000 0.510 441 K N 1.946 122.383 120.400 0.062 0.000 2.378 441 K HA 0.179 4.198 4.320 -0.502 0.000 0.288 441 K C -0.548 176.092 176.600 0.067 0.000 1.057 441 K CA -0.242 56.080 56.287 0.059 0.000 0.971 441 K CB 0.615 33.148 32.500 0.055 0.000 0.975 441 K HN -0.096 nan 8.250 nan 0.000 0.475 442 A N 5.675 128.533 122.820 0.064 0.000 2.524 442 A HA 0.206 4.225 4.320 -0.502 0.000 0.250 442 A C -0.327 177.298 177.584 0.068 0.000 1.078 442 A CA 0.055 52.134 52.037 0.069 0.000 0.761 442 A CB -0.013 19.034 19.000 0.077 0.000 1.012 442 A HN 0.758 nan 8.150 nan 0.000 0.500 443 L N 2.252 123.506 121.223 0.051 0.000 2.354 443 L HA 0.419 4.458 4.340 -0.502 0.000 0.269 443 L C -0.729 176.148 176.870 0.011 0.000 1.005 443 L CA -1.075 53.782 54.840 0.028 0.000 0.819 443 L CB 1.963 44.018 42.059 -0.007 0.000 1.311 443 L HN 0.549 nan 8.230 nan 0.000 0.423 444 D N 1.169 121.578 120.400 0.015 0.000 2.256 444 D HA 0.455 4.794 4.640 -0.502 0.000 0.250 444 D C -0.461 175.804 176.300 -0.059 0.000 1.093 444 D CA -0.070 53.945 54.000 0.024 0.000 0.882 444 D CB 1.633 42.471 40.800 0.063 0.000 1.185 444 D HN 0.608 nan 8.370 nan 0.000 0.437 445 C N 0.491 119.762 119.300 -0.049 0.000 3.236 445 C HA 0.662 4.821 4.460 -0.502 0.000 0.312 445 C C -0.959 174.018 174.990 -0.021 0.000 1.374 445 C CA -0.848 58.118 59.018 -0.087 0.000 1.455 445 C CB 1.485 29.125 27.740 -0.166 0.000 1.834 445 C HN 0.503 nan 8.230 nan 0.000 0.460 446 Q N 0.901 120.687 119.800 -0.025 0.000 2.333 446 Q HA 0.698 4.737 4.340 -0.502 0.000 0.268 446 Q C -1.325 174.692 176.000 0.028 0.000 1.007 446 Q CA -0.187 55.624 55.803 0.014 0.000 0.810 446 Q CB 2.050 30.790 28.738 0.004 0.000 1.264 446 Q HN 0.725 nan 8.270 nan 0.000 0.452 447 I N 2.941 123.548 120.570 0.062 0.000 2.418 447 I HA 0.191 4.060 4.170 -0.502 0.000 0.287 447 I C -0.842 175.362 176.117 0.145 0.000 1.008 447 I CA -0.718 60.566 61.300 -0.027 0.000 1.104 447 I CB 1.085 38.858 38.000 -0.378 0.000 1.264 447 I HN 0.635 nan 8.210 nan 0.000 0.438 448 Y N 5.040 125.412 120.300 0.119 0.000 3.721 448 Y HA -0.263 3.990 4.550 -0.495 0.000 0.218 448 Y C 1.509 177.349 175.900 -0.099 0.000 1.188 448 Y CA 1.012 59.129 58.100 0.028 0.000 1.607 448 Y CB -2.081 36.425 38.460 0.075 0.000 1.496 448 Y HN 0.979 nan 8.280 nan 0.000 0.626 449 G N -2.138 106.740 108.800 0.130 0.000 2.234 449 G HA2 -0.033 3.626 3.960 -0.502 0.000 0.260 449 G HA3 -0.033 3.626 3.960 -0.502 0.000 0.260 449 G C 0.497 175.422 174.900 0.042 0.000 0.987 449 G CA 0.295 45.432 45.100 0.061 0.000 0.625 449 G HN 1.550 nan 8.290 nan 0.000 0.532 450 A N -0.694 122.157 122.820 0.051 0.000 2.302 450 A HA 0.647 4.666 4.320 -0.502 0.000 0.285 450 A C 0.649 178.044 177.584 -0.315 0.000 1.105 450 A CA 0.423 52.345 52.037 -0.191 0.000 0.816 450 A CB 1.031 19.853 19.000 -0.296 0.000 1.067 450 A HN 1.544 nan 8.150 nan 0.000 0.489 451 C N 2.114 121.156 119.300 -0.429 0.000 2.307 451 C HA 0.736 4.895 4.460 -0.502 0.000 0.340 451 C C -1.132 173.523 174.990 -0.558 0.000 1.275 451 C CA -0.545 58.307 59.018 -0.277 0.000 1.811 451 C CB -1.492 26.229 27.740 -0.031 0.000 2.372 451 C HN 0.628 nan 8.230 nan 0.000 0.531 452 Y N 3.434 123.594 120.300 -0.234 0.000 2.376 452 Y HA 0.419 4.664 4.550 -0.508 0.000 0.340 452 Y C 0.515 176.320 175.900 -0.160 0.000 0.965 452 Y CA -0.245 57.667 58.100 -0.314 0.000 1.078 452 Y CB 1.789 40.000 38.460 -0.415 0.000 1.193 452 Y HN 0.623 nan 8.280 nan 0.000 0.452 453 S N 4.797 120.483 115.700 -0.024 0.000 2.430 453 S HA 0.643 4.812 4.470 -0.502 0.000 0.289 453 S C -0.817 173.836 174.600 0.088 0.000 1.143 453 S CA -0.290 57.960 58.200 0.084 0.000 1.067 453 S CB -0.409 62.884 63.200 0.154 0.000 0.964 453 S HN 0.570 nan 8.310 nan 0.000 0.485 454 I N 4.203 124.821 120.570 0.080 0.000 2.499 454 I HA 0.314 4.183 4.170 -0.502 0.000 0.288 454 I C -0.210 175.945 176.117 0.064 0.000 1.048 454 I CA -0.572 60.780 61.300 0.086 0.000 1.062 454 I CB 2.119 40.172 38.000 0.087 0.000 1.238 454 I HN 0.590 nan 8.210 nan 0.000 0.426 455 E N 7.460 127.704 120.200 0.073 0.000 2.259 455 E HA 0.137 4.186 4.350 -0.502 0.000 0.281 455 E C -1.700 174.956 176.600 0.094 0.000 1.037 455 E CA -1.546 54.899 56.400 0.076 0.000 0.854 455 E CB 0.945 30.688 29.700 0.072 0.000 1.051 455 E HN 0.327 nan 8.360 nan 0.000 0.409 456 P HA -0.207 nan 4.420 nan 0.000 0.217 456 P C 1.020 178.468 177.300 0.247 0.000 1.148 456 P CA 1.160 64.346 63.100 0.142 0.000 0.834 456 P CB 0.199 31.919 31.700 0.034 0.000 0.783 457 L N -0.808 120.533 121.223 0.195 0.000 2.265 457 L HA -0.137 3.901 4.340 -0.502 0.000 0.215 457 L C 1.276 178.231 176.870 0.141 0.000 1.117 457 L CA 1.246 56.206 54.840 0.200 0.000 0.782 457 L CB -0.713 41.429 42.059 0.137 0.000 0.914 457 L HN -0.014 nan 8.230 nan 0.000 0.441 458 D N -0.326 120.140 120.400 0.111 0.000 2.340 458 D HA 0.006 4.344 4.640 -0.502 0.000 0.220 458 D C 2.220 178.560 176.300 0.067 0.000 1.039 458 D CA 0.268 54.303 54.000 0.058 0.000 0.866 458 D CB 0.283 41.102 40.800 0.031 0.000 0.913 458 D HN 0.291 nan 8.370 nan 0.000 0.523 459 L N 0.950 122.262 121.223 0.148 0.000 2.012 459 L HA -0.161 3.878 4.340 -0.502 0.000 0.210 459 L C -0.426 176.527 176.870 0.139 0.000 1.073 459 L CA 1.599 56.542 54.840 0.171 0.000 0.748 459 L CB -1.487 40.756 42.059 0.306 0.000 0.891 459 L HN 0.048 nan 8.230 nan 0.000 0.431 460 P HA -0.195 nan 4.420 nan 0.000 0.215 460 P C 1.344 178.701 177.300 0.095 0.000 1.153 460 P CA 1.268 64.415 63.100 0.079 0.000 0.853 460 P CB 0.049 31.602 31.700 -0.246 0.000 0.788 461 Q N -0.855 118.925 119.800 -0.033 0.000 2.079 461 Q HA -0.082 3.956 4.340 -0.502 0.000 0.200 461 Q C 2.190 178.148 176.000 -0.071 0.000 0.974 461 Q CA 1.270 57.033 55.803 -0.065 0.000 0.840 461 Q CB -1.002 27.677 28.738 -0.099 0.000 0.898 461 Q HN 0.264 nan 8.270 nan 0.000 0.430 462 I N -0.099 120.419 120.570 -0.086 0.000 2.179 462 I HA -0.266 3.603 4.170 -0.502 0.000 0.242 462 I C 1.944 178.019 176.117 -0.070 0.000 1.088 462 I CA 1.109 62.300 61.300 -0.182 0.000 1.357 462 I CB -0.259 37.637 38.000 -0.174 0.000 1.051 462 I HN 0.179 nan 8.210 nan 0.000 0.409 463 I N 0.514 121.120 120.570 0.061 0.000 2.226 463 I HA -0.309 3.559 4.170 -0.502 0.000 0.245 463 I C 2.624 178.764 176.117 0.039 0.000 1.100 463 I CA 1.494 62.858 61.300 0.107 0.000 1.374 463 I CB -0.395 37.640 38.000 0.059 0.000 1.057 463 I HN 0.282 nan 8.210 nan 0.000 0.413 464 E N 0.917 121.165 120.200 0.080 0.000 2.085 464 E HA -0.247 3.802 4.350 -0.502 0.000 0.194 464 E C 2.353 178.950 176.600 -0.005 0.000 0.994 464 E CA 1.155 57.597 56.400 0.069 0.000 0.801 464 E CB 0.124 29.901 29.700 0.128 0.000 0.743 464 E HN 0.279 nan 8.360 nan 0.000 0.453 465 R N -0.039 120.429 120.500 -0.054 0.000 2.115 465 R HA -0.030 4.009 4.340 -0.502 0.000 0.226 465 R C 2.301 178.541 176.300 -0.099 0.000 1.100 465 R CA 0.696 56.739 56.100 -0.094 0.000 0.980 465 R CB -0.206 29.990 30.300 -0.173 0.000 0.875 465 R HN 0.356 nan 8.270 nan 0.000 0.445 466 L N -0.920 120.225 121.223 -0.131 0.000 2.477 466 L HA 0.070 4.109 4.340 -0.502 0.000 0.220 466 L C 1.389 177.973 176.870 -0.476 0.000 1.106 466 L CA 0.699 55.384 54.840 -0.259 0.000 0.851 466 L CB -0.153 41.721 42.059 -0.308 0.000 0.994 466 L HN 0.212 nan 8.230 nan 0.000 0.462 467 H N -0.695 118.320 119.070 -0.092 0.000 3.734 467 H HA 0.281 4.537 4.556 -0.499 0.000 0.253 467 H C 0.917 176.176 175.328 -0.114 0.000 1.072 467 H CA 0.740 56.719 56.048 -0.116 0.000 1.147 467 H CB 1.369 31.023 29.762 -0.179 0.000 1.495 467 H HN 0.216 nan 8.280 nan 0.000 0.588 468 G N 1.267 110.072 108.800 0.009 0.000 2.781 468 G HA2 -0.229 3.430 3.960 -0.502 0.000 0.683 468 G HA3 -0.229 3.430 3.960 -0.502 0.000 0.683 468 G C 0.703 175.576 174.900 -0.045 0.000 1.390 468 G CA -0.082 45.016 45.100 -0.003 0.000 0.850 468 G HN 0.199 nan 8.290 nan 0.000 0.557 469 L N 1.041 122.295 121.223 0.051 0.000 2.191 469 L HA -0.130 3.909 4.340 -0.502 0.000 0.212 469 L C 3.216 180.124 176.870 0.063 0.000 1.103 469 L CA 2.242 57.184 54.840 0.170 0.000 0.769 469 L CB -0.523 41.686 42.059 0.250 0.000 0.908 469 L HN 0.949 nan 8.230 nan 0.000 0.438 470 S N -0.050 115.643 115.700 -0.011 0.000 2.440 470 S HA -0.215 3.954 4.470 -0.502 0.000 0.238 470 S C 2.131 176.639 174.600 -0.154 0.000 1.010 470 S CA 0.862 59.033 58.200 -0.047 0.000 0.972 470 S CB -0.436 62.730 63.200 -0.055 0.000 0.774 470 S HN 0.399 nan 8.310 nan 0.000 0.501 471 A N 1.226 123.857 122.820 -0.316 0.000 1.986 471 A HA 0.025 4.044 4.320 -0.502 0.000 0.220 471 A C 1.588 178.912 177.584 -0.433 0.000 1.171 471 A CA 1.406 53.141 52.037 -0.503 0.000 0.640 471 A CB -0.963 17.581 19.000 -0.761 0.000 0.811 471 A HN 0.614 nan 8.150 nan 0.000 0.451 472 F N -0.412 119.542 119.950 0.007 0.000 2.773 472 F HA 0.201 4.427 4.527 -0.501 0.000 0.304 472 F C 1.669 177.504 175.800 0.058 0.000 1.129 472 F CA 0.620 58.651 58.000 0.051 0.000 1.378 472 F CB 0.067 39.127 39.000 0.100 0.000 1.095 472 F HN 0.094 nan 8.300 nan 0.000 0.565 473 S N -0.983 114.798 115.700 0.134 0.000 2.728 473 S HA 0.289 4.457 4.470 -0.502 0.000 0.257 473 S C 0.453 175.106 174.600 0.089 0.000 1.060 473 S CA -0.328 57.949 58.200 0.128 0.000 1.126 473 S CB 0.464 63.729 63.200 0.107 0.000 1.099 473 S HN -0.004 nan 8.310 nan 0.000 0.617 474 L N 3.804 124.994 121.223 -0.055 0.000 2.490 474 L HA 0.305 4.344 4.340 -0.502 0.000 0.274 474 L C 0.388 177.143 176.870 -0.193 0.000 1.201 474 L CA 0.450 55.135 54.840 -0.259 0.000 0.869 474 L CB -0.034 41.721 42.059 -0.507 0.000 1.123 474 L HN 0.530 nan 8.230 nan 0.000 0.484 475 H N -1.360 117.503 119.070 -0.345 0.000 2.948 475 H HA 0.354 4.609 4.556 -0.502 0.000 0.315 475 H C -0.254 174.954 175.328 -0.199 0.000 1.360 475 H CA -0.808 55.119 56.048 -0.200 0.000 1.125 475 H CB 1.103 30.856 29.762 -0.015 0.000 1.844 475 H HN 0.394 nan 8.280 nan 0.000 0.529 476 S N -0.466 115.271 115.700 0.060 0.000 3.711 476 S HA -0.230 3.939 4.470 -0.502 0.000 0.374 476 S C -0.514 174.095 174.600 0.015 0.000 0.969 476 S CA 0.474 58.729 58.200 0.092 0.000 1.198 476 S CB -2.446 60.807 63.200 0.088 0.000 0.903 476 S HN 0.538 nan 8.310 nan 0.000 0.493 477 Y N 1.933 122.267 120.300 0.058 0.000 2.459 477 Y HA 0.203 4.451 4.550 -0.503 0.000 0.349 477 Y C 1.436 177.380 175.900 0.074 0.000 1.266 477 Y CA 0.713 58.845 58.100 0.053 0.000 1.483 477 Y CB 0.339 38.827 38.460 0.047 0.000 1.362 477 Y HN 0.520 nan 8.280 nan 0.000 0.628 478 S N 1.514 117.361 115.700 0.245 0.000 2.576 478 S HA 0.148 4.317 4.470 -0.502 0.000 0.276 478 S C -1.966 172.716 174.600 0.137 0.000 1.339 478 S CA -1.152 57.136 58.200 0.148 0.000 1.039 478 S CB 1.289 64.552 63.200 0.104 0.000 0.902 478 S HN 0.432 nan 8.310 nan 0.000 0.516 479 P HA -0.080 nan 4.420 nan 0.000 0.216 479 P C 1.699 179.039 177.300 0.067 0.000 1.157 479 P CA 1.933 65.081 63.100 0.079 0.000 0.880 479 P CB -0.441 31.296 31.700 0.062 0.000 0.791 480 G N -0.650 108.185 108.800 0.059 0.000 2.408 480 G HA2 -0.252 3.407 3.960 -0.502 0.000 0.217 480 G HA3 -0.252 3.407 3.960 -0.502 0.000 0.217 480 G C 1.635 176.563 174.900 0.046 0.000 1.150 480 G CA 0.790 45.916 45.100 0.044 0.000 0.776 480 G HN 0.276 nan 8.290 nan 0.000 0.542 481 E N 0.711 120.955 120.200 0.073 0.000 2.046 481 E HA -0.017 4.032 4.350 -0.502 0.000 0.190 481 E C 2.391 179.031 176.600 0.067 0.000 0.982 481 E CA 0.638 57.090 56.400 0.086 0.000 0.800 481 E CB -0.392 29.405 29.700 0.162 0.000 0.756 481 E HN 0.456 nan 8.360 nan 0.000 0.449 482 I N 0.905 121.521 120.570 0.077 0.000 2.163 482 I HA -0.313 3.556 4.170 -0.502 0.000 0.243 482 I C 1.857 177.996 176.117 0.036 0.000 1.085 482 I CA 1.332 62.662 61.300 0.049 0.000 1.347 482 I CB -0.433 37.612 38.000 0.076 0.000 1.044 482 I HN 0.155 nan 8.210 nan 0.000 0.408 483 N N 0.526 119.250 118.700 0.039 0.000 2.166 483 N HA -0.200 4.239 4.740 -0.502 0.000 0.186 483 N C 1.861 177.379 175.510 0.013 0.000 1.019 483 N CA 1.110 54.177 53.050 0.028 0.000 0.856 483 N CB -0.388 38.117 38.487 0.030 0.000 0.993 483 N HN 0.292 nan 8.380 nan 0.000 0.426 484 R N 0.581 121.085 120.500 0.006 0.000 2.075 484 R HA -0.030 4.009 4.340 -0.502 0.000 0.232 484 R C 1.645 177.921 176.300 -0.040 0.000 1.126 484 R CA 0.948 57.037 56.100 -0.019 0.000 0.963 484 R CB -0.127 30.156 30.300 -0.029 0.000 0.858 484 R HN 0.000 nan 8.270 nan 0.000 0.435 485 V N 1.063 120.959 119.914 -0.030 0.000 2.261 485 V HA -0.211 3.608 4.120 -0.502 0.000 0.246 485 V C 2.523 178.606 176.094 -0.019 0.000 1.047 485 V CA 1.949 64.223 62.300 -0.043 0.000 1.015 485 V CB -0.925 30.895 31.823 -0.006 0.000 0.642 485 V HN 0.543 nan 8.190 nan 0.000 0.446 486 A N 0.029 122.853 122.820 0.006 0.000 1.908 486 A HA -0.237 3.782 4.320 -0.502 0.000 0.218 486 A C 2.482 180.077 177.584 0.018 0.000 1.181 486 A CA 2.432 54.483 52.037 0.024 0.000 0.627 486 A CB -0.835 18.185 19.000 0.033 0.000 0.818 486 A HN 0.528 nan 8.150 nan 0.000 0.445 487 S N -1.031 114.674 115.700 0.009 0.000 2.359 487 S HA -0.256 3.913 4.470 -0.502 0.000 0.224 487 S C 2.091 176.694 174.600 0.004 0.000 1.035 487 S CA 1.377 59.582 58.200 0.009 0.000 1.018 487 S CB -1.113 62.088 63.200 0.002 0.000 0.876 487 S HN 0.829 nan 8.310 nan 0.000 0.448 488 C N 2.263 121.551 119.300 -0.020 0.000 2.413 488 C HA -0.034 4.125 4.460 -0.502 0.000 0.276 488 C C 2.458 177.441 174.990 -0.012 0.000 1.248 488 C CA 0.681 59.679 59.018 -0.034 0.000 1.742 488 C CB -1.673 26.009 27.740 -0.096 0.000 2.017 488 C HN 0.584 nan 8.230 nan 0.000 0.481 489 L N 0.305 121.526 121.223 -0.003 0.000 2.083 489 L HA -0.120 3.919 4.340 -0.502 0.000 0.209 489 L C 3.074 179.953 176.870 0.015 0.000 1.083 489 L CA 1.738 56.590 54.840 0.020 0.000 0.752 489 L CB -0.823 41.272 42.059 0.060 0.000 0.899 489 L HN 0.392 nan 8.230 nan 0.000 0.433 490 R N 0.386 120.903 120.500 0.028 0.000 2.066 490 R HA -0.186 3.853 4.340 -0.502 0.000 0.232 490 R C 2.342 178.696 176.300 0.091 0.000 1.131 490 R CA 1.416 57.543 56.100 0.045 0.000 0.955 490 R CB -0.319 30.011 30.300 0.050 0.000 0.851 490 R HN 0.275 nan 8.270 nan 0.000 0.432 491 K N 1.192 121.644 120.400 0.086 0.000 2.044 491 K HA -0.157 3.862 4.320 -0.502 0.000 0.210 491 K C 1.835 178.578 176.600 0.238 0.000 1.049 491 K CA 1.454 57.821 56.287 0.133 0.000 0.927 491 K CB -0.058 32.486 32.500 0.075 0.000 0.713 491 K HN 0.152 nan 8.250 nan 0.000 0.443 492 L N -0.616 120.670 121.223 0.105 0.000 2.509 492 L HA 0.147 4.186 4.340 -0.502 0.000 0.222 492 L C 0.948 177.672 176.870 -0.243 0.000 1.123 492 L CA 0.416 55.294 54.840 0.063 0.000 0.856 492 L CB 0.167 42.245 42.059 0.031 0.000 0.985 492 L HN 0.625 nan 8.230 nan 0.000 0.456 493 G N 1.003 109.517 108.800 -0.477 0.000 2.212 493 G HA2 -0.220 3.439 3.960 -0.502 0.000 0.255 493 G HA3 -0.220 3.439 3.960 -0.502 0.000 0.255 493 G C -0.063 174.687 174.900 -0.250 0.000 1.062 493 G CA -0.021 44.658 45.100 -0.702 0.000 0.815 493 G HN 0.086 nan 8.290 nan 0.000 0.497 494 V N 0.909 120.773 119.914 -0.084 0.000 2.509 494 V HA 0.422 4.241 4.120 -0.502 0.000 0.284 494 V C -1.216 174.948 176.094 0.117 0.000 1.047 494 V CA -1.579 60.762 62.300 0.069 0.000 0.952 494 V CB 1.516 33.412 31.823 0.122 0.000 0.988 494 V HN 0.186 nan 8.190 nan 0.000 0.469 495 P HA 0.103 nan 4.420 nan 0.000 0.266 495 P C -2.425 174.984 177.300 0.183 0.000 1.193 495 P CA -0.656 62.462 63.100 0.029 0.000 0.770 495 P CB -0.172 31.372 31.700 -0.260 0.000 0.836 496 P HA 0.065 nan 4.420 nan 0.000 0.272 496 P C 0.759 178.222 177.300 0.271 0.000 1.240 496 P CA -0.045 63.148 63.100 0.155 0.000 0.791 496 P CB 0.800 32.544 31.700 0.073 0.000 0.978 497 L N 0.516 121.902 121.223 0.272 0.000 2.191 497 L HA -0.174 3.865 4.340 -0.502 0.000 0.212 497 L C 2.883 179.925 176.870 0.287 0.000 1.103 497 L CA 1.490 56.527 54.840 0.328 0.000 0.769 497 L CB -0.780 41.386 42.059 0.179 0.000 0.908 497 L HN 0.465 nan 8.230 nan 0.000 0.438 498 R N -0.262 120.346 120.500 0.179 0.000 2.096 498 R HA -0.111 3.928 4.340 -0.502 0.000 0.235 498 R C 1.950 178.323 176.300 0.123 0.000 1.127 498 R CA 1.482 57.667 56.100 0.142 0.000 0.968 498 R CB -1.077 29.268 30.300 0.076 0.000 0.861 498 R HN 0.116 nan 8.270 nan 0.000 0.440 499 V N 0.412 120.346 119.914 0.034 0.000 2.358 499 V HA -0.181 3.637 4.120 -0.502 0.000 0.246 499 V C 2.007 178.066 176.094 -0.058 0.000 1.047 499 V CA 1.791 64.030 62.300 -0.101 0.000 1.035 499 V CB -0.742 30.901 31.823 -0.300 0.000 0.658 499 V HN 0.386 nan 8.190 nan 0.000 0.452 500 W N 0.180 121.577 121.300 0.162 0.000 2.363 500 W HA -0.115 4.244 4.660 -0.500 0.000 0.296 500 W C 2.758 179.472 176.519 0.325 0.000 1.212 500 W CA 1.463 58.941 57.345 0.221 0.000 1.260 500 W CB -0.290 29.291 29.460 0.203 0.000 1.131 500 W HN 0.045 nan 8.180 nan 0.000 0.530 501 R N -0.248 120.579 120.500 0.545 0.000 2.091 501 R HA -0.247 3.792 4.340 -0.502 0.000 0.238 501 R C 2.079 178.517 176.300 0.229 0.000 1.136 501 R CA 2.168 58.558 56.100 0.482 0.000 0.959 501 R CB -0.685 29.863 30.300 0.413 0.000 0.856 501 R HN 0.252 nan 8.270 nan 0.000 0.437 502 H N 0.251 119.378 119.070 0.094 0.000 2.293 502 H HA -0.051 4.204 4.556 -0.502 0.000 0.300 502 H C 2.034 177.344 175.328 -0.030 0.000 1.082 502 H CA 2.244 58.294 56.048 0.003 0.000 1.308 502 H CB 0.097 29.843 29.762 -0.026 0.000 1.375 502 H HN 0.139 nan 8.280 nan 0.000 0.495 503 R N -0.219 120.298 120.500 0.028 0.000 2.096 503 R HA -0.063 3.976 4.340 -0.502 0.000 0.235 503 R C 2.547 178.780 176.300 -0.111 0.000 1.127 503 R CA 0.958 57.026 56.100 -0.053 0.000 0.968 503 R CB -0.281 30.037 30.300 0.030 0.000 0.861 503 R HN 0.393 nan 8.270 nan 0.000 0.440 504 A N 1.346 124.133 122.820 -0.055 0.000 1.902 504 A HA -0.163 3.856 4.320 -0.502 0.000 0.217 504 A C 2.067 179.350 177.584 -0.501 0.000 1.181 504 A CA 1.125 52.962 52.037 -0.334 0.000 0.623 504 A CB -0.338 18.515 19.000 -0.245 0.000 0.818 504 A HN 0.211 nan 8.150 nan 0.000 0.443 505 R N -0.513 119.775 120.500 -0.353 0.000 2.083 505 R HA -0.136 3.903 4.340 -0.502 0.000 0.237 505 R C 2.684 178.804 176.300 -0.299 0.000 1.137 505 R CA 1.623 57.534 56.100 -0.314 0.000 0.951 505 R CB -0.497 29.655 30.300 -0.246 0.000 0.851 505 R HN 0.598 nan 8.270 nan 0.000 0.434 506 S N 0.385 115.903 115.700 -0.305 0.000 2.348 506 S HA -0.116 4.053 4.470 -0.502 0.000 0.221 506 S C 2.105 176.564 174.600 -0.234 0.000 1.033 506 S CA 1.497 59.547 58.200 -0.249 0.000 1.010 506 S CB -0.222 62.837 63.200 -0.236 0.000 0.891 506 S HN 0.125 nan 8.310 nan 0.000 0.442 507 V N 2.688 122.422 119.914 -0.299 0.000 2.287 507 V HA -0.172 3.646 4.120 -0.502 0.000 0.248 507 V C 2.785 178.667 176.094 -0.352 0.000 1.053 507 V CA 2.325 64.431 62.300 -0.323 0.000 1.027 507 V CB -0.936 30.606 31.823 -0.469 0.000 0.646 507 V HN 0.523 nan 8.190 nan 0.000 0.447 508 R N 0.159 120.362 120.500 -0.494 0.000 2.103 508 R HA -0.220 3.819 4.340 -0.502 0.000 0.242 508 R C 2.286 178.497 176.300 -0.149 0.000 1.142 508 R CA 1.897 57.825 56.100 -0.286 0.000 0.960 508 R CB -0.452 29.681 30.300 -0.278 0.000 0.858 508 R HN 0.504 nan 8.270 nan 0.000 0.439 509 A N 1.013 123.737 122.820 -0.159 0.000 1.855 509 A HA -0.159 3.860 4.320 -0.502 0.000 0.215 509 A C 2.196 179.736 177.584 -0.073 0.000 1.191 509 A CA 1.485 53.458 52.037 -0.106 0.000 0.613 509 A CB -0.482 18.451 19.000 -0.112 0.000 0.829 509 A HN 0.371 nan 8.150 nan 0.000 0.442 510 R N -0.572 119.881 120.500 -0.078 0.000 2.103 510 R HA -0.126 3.913 4.340 -0.502 0.000 0.242 510 R C 2.081 178.377 176.300 -0.008 0.000 1.142 510 R CA 1.670 57.745 56.100 -0.042 0.000 0.960 510 R CB -0.584 29.690 30.300 -0.043 0.000 0.858 510 R HN 0.523 nan 8.270 nan 0.000 0.439 511 L N 0.291 121.513 121.223 -0.002 0.000 2.017 511 L HA -0.193 3.845 4.340 -0.502 0.000 0.208 511 L C 2.312 179.200 176.870 0.030 0.000 1.073 511 L CA 1.214 56.082 54.840 0.047 0.000 0.745 511 L CB -0.352 41.754 42.059 0.077 0.000 0.894 511 L HN 0.203 nan 8.230 nan 0.000 0.432 512 L N -1.228 119.995 121.223 0.000 0.000 2.083 512 L HA -0.194 3.844 4.340 -0.502 0.000 0.209 512 L C 2.700 179.569 176.870 -0.002 0.000 1.083 512 L CA 0.855 55.693 54.840 -0.003 0.000 0.752 512 L CB -0.529 41.516 42.059 -0.024 0.000 0.899 512 L HN 0.173 nan 8.230 nan 0.000 0.433 513 S N -0.513 115.182 115.700 -0.008 0.000 2.380 513 S HA -0.234 3.935 4.470 -0.502 0.000 0.229 513 S C 1.955 176.559 174.600 0.008 0.000 1.043 513 S CA 1.273 59.471 58.200 -0.005 0.000 1.038 513 S CB -0.221 62.973 63.200 -0.010 0.000 0.872 513 S HN 0.460 nan 8.310 nan 0.000 0.456 514 Q N 0.299 120.111 119.800 0.020 0.000 2.224 514 Q HA 0.125 4.164 4.340 -0.502 0.000 0.203 514 Q C 1.491 177.508 176.000 0.029 0.000 0.970 514 Q CA 0.839 56.661 55.803 0.030 0.000 0.865 514 Q CB -0.845 27.923 28.738 0.051 0.000 0.922 514 Q HN 0.581 nan 8.270 nan 0.000 0.445 515 G N -0.388 108.428 108.800 0.026 0.000 2.796 515 G HA2 -0.059 3.600 3.960 -0.502 0.000 0.226 515 G HA3 -0.059 3.600 3.960 -0.502 0.000 0.226 515 G C 0.471 175.390 174.900 0.032 0.000 1.381 515 G CA 0.089 45.203 45.100 0.023 0.000 0.867 515 G HN 0.742 nan 8.290 nan 0.000 0.552 516 G N -0.620 108.196 108.800 0.026 0.000 2.614 516 G HA2 -0.278 3.380 3.960 -0.502 0.000 0.303 516 G HA3 -0.278 3.380 3.960 -0.502 0.000 0.303 516 G C 1.261 176.181 174.900 0.034 0.000 1.270 516 G CA 1.542 46.659 45.100 0.027 0.000 0.988 516 G HN 1.529 nan 8.290 nan 0.000 0.551 517 R N 0.456 120.979 120.500 0.039 0.000 2.120 517 R HA 0.078 4.117 4.340 -0.502 0.000 0.234 517 R C 3.141 179.485 176.300 0.075 0.000 1.123 517 R CA 1.725 57.852 56.100 0.045 0.000 0.975 517 R CB -0.518 29.811 30.300 0.049 0.000 0.866 517 R HN 0.628 nan 8.270 nan 0.000 0.446 518 A N 1.444 124.318 122.820 0.090 0.000 1.898 518 A HA -0.070 3.949 4.320 -0.502 0.000 0.216 518 A C 2.403 180.042 177.584 0.093 0.000 1.181 518 A CA 1.526 53.637 52.037 0.123 0.000 0.620 518 A CB -0.525 18.546 19.000 0.120 0.000 0.819 518 A HN 0.363 nan 8.150 nan 0.000 0.442 519 A N -0.831 122.026 122.820 0.062 0.000 1.902 519 A HA -0.103 3.916 4.320 -0.502 0.000 0.217 519 A C 2.283 179.897 177.584 0.050 0.000 1.181 519 A CA 2.318 54.381 52.037 0.044 0.000 0.623 519 A CB -1.346 17.671 19.000 0.029 0.000 0.818 519 A HN 0.429 nan 8.150 nan 0.000 0.443 520 T N -0.689 113.899 114.554 0.056 0.000 2.759 520 T HA -0.210 3.839 4.350 -0.502 0.000 0.269 520 T C 1.886 176.627 174.700 0.069 0.000 1.042 520 T CA 1.588 63.734 62.100 0.077 0.000 1.140 520 T CB -0.726 68.138 68.868 -0.006 0.000 0.864 520 T HN 0.591 nan 8.240 nan 0.000 0.455 521 C N 1.287 120.604 119.300 0.028 0.000 2.432 521 C HA 0.047 4.205 4.460 -0.502 0.000 0.277 521 C C 3.105 178.072 174.990 -0.039 0.000 1.249 521 C CA 0.422 59.413 59.018 -0.045 0.000 1.725 521 C CB -1.556 26.174 27.740 -0.017 0.000 2.028 521 C HN 0.726 nan 8.230 nan 0.000 0.477 522 G N 0.321 109.153 108.800 0.053 0.000 2.491 522 G HA2 -0.323 3.336 3.960 -0.502 0.000 0.218 522 G HA3 -0.323 3.336 3.960 -0.502 0.000 0.218 522 G C 1.617 176.536 174.900 0.033 0.000 1.180 522 G CA 1.328 46.491 45.100 0.104 0.000 0.774 522 G HN 0.637 nan 8.290 nan 0.000 0.562 523 K N -0.910 119.483 120.400 -0.011 0.000 2.032 523 K HA -0.133 3.886 4.320 -0.502 0.000 0.209 523 K C 2.266 178.688 176.600 -0.295 0.000 1.048 523 K CA 1.486 57.696 56.287 -0.129 0.000 0.927 523 K CB -0.269 32.169 32.500 -0.104 0.000 0.712 523 K HN 0.439 nan 8.250 nan 0.000 0.441 524 Y N 0.342 120.448 120.300 -0.322 0.000 2.262 524 Y HA 0.045 4.294 4.550 -0.502 0.000 0.295 524 Y C 1.981 177.627 175.900 -0.424 0.000 1.121 524 Y CA 0.666 58.406 58.100 -0.599 0.000 1.144 524 Y CB -0.016 37.782 38.460 -1.104 0.000 1.043 524 Y HN -0.067 nan 8.280 nan 0.000 0.528 525 L N -1.725 119.355 121.223 -0.239 0.000 2.217 525 L HA -0.123 3.916 4.340 -0.502 0.000 0.211 525 L C 0.580 177.170 176.870 -0.466 0.000 1.107 525 L CA 1.257 55.883 54.840 -0.357 0.000 0.783 525 L CB -0.246 41.334 42.059 -0.800 0.000 0.919 525 L HN 0.183 nan 8.230 nan 0.000 0.442 526 F N -1.961 117.931 119.950 -0.096 0.000 2.735 526 F HA 0.181 4.408 4.527 -0.501 0.000 0.308 526 F C 1.542 177.004 175.800 -0.564 0.000 1.112 526 F CA -0.520 57.191 58.000 -0.482 0.000 1.235 526 F CB -0.563 38.180 39.000 -0.429 0.000 1.027 526 F HN -0.099 nan 8.300 nan 0.000 0.528 527 N N 1.005 119.612 118.700 -0.155 0.000 2.289 527 N HA -0.193 4.246 4.740 -0.502 0.000 0.184 527 N C 2.022 177.504 175.510 -0.048 0.000 1.016 527 N CA 1.702 54.682 53.050 -0.117 0.000 0.872 527 N CB -0.167 38.260 38.487 -0.099 0.000 0.973 527 N HN 0.509 nan 8.380 nan 0.000 0.433 528 W N -0.625 120.720 121.300 0.076 0.000 2.421 528 W HA 0.101 4.460 4.660 -0.502 0.000 0.270 528 W C 1.306 177.884 176.519 0.099 0.000 1.233 528 W CA 0.691 58.090 57.345 0.090 0.000 1.226 528 W CB -0.757 28.773 29.460 0.117 0.000 1.121 528 W HN 0.050 nan 8.180 nan 0.000 0.579 529 A N 1.506 123.991 122.820 -0.558 0.000 2.081 529 A HA 0.180 4.199 4.320 -0.502 0.000 0.214 529 A C 1.225 178.687 177.584 -0.203 0.000 1.158 529 A CA 1.061 52.768 52.037 -0.550 0.000 0.724 529 A CB -0.854 17.546 19.000 -1.000 0.000 0.826 529 A HN 0.108 nan 8.150 nan 0.000 0.463 530 V N -2.304 117.511 119.914 -0.165 0.000 2.973 530 V HA 0.402 4.221 4.120 -0.502 0.000 0.314 530 V C 0.920 176.989 176.094 -0.042 0.000 1.066 530 V CA -0.223 62.019 62.300 -0.098 0.000 1.021 530 V CB 1.472 33.229 31.823 -0.110 0.000 1.076 530 V HN 0.461 nan 8.190 nan 0.000 0.462 531 K N -0.061 120.319 120.400 -0.033 0.000 2.276 531 K HA 0.121 4.140 4.320 -0.502 0.000 0.198 531 K C 0.679 177.261 176.600 -0.030 0.000 1.052 531 K CA 0.603 56.878 56.287 -0.020 0.000 0.984 531 K CB -0.184 32.309 32.500 -0.011 0.000 0.836 531 K HN 0.619 nan 8.250 nan 0.000 0.490 532 T N 3.188 117.718 114.554 -0.039 0.000 3.688 532 T HA 0.200 4.249 4.350 -0.502 0.000 0.307 532 T C -0.526 174.142 174.700 -0.053 0.000 1.382 532 T CA -0.236 61.838 62.100 -0.042 0.000 1.136 532 T CB 0.225 69.068 68.868 -0.042 0.000 1.207 532 T HN 0.043 nan 8.240 nan 0.000 0.854 533 K N 2.182 122.553 120.400 -0.049 0.000 2.436 533 K HA 0.255 4.274 4.320 -0.502 0.000 0.275 533 K C 0.145 176.703 176.600 -0.069 0.000 0.999 533 K CA -0.200 56.052 56.287 -0.057 0.000 0.980 533 K CB 0.200 32.676 32.500 -0.040 0.000 0.919 533 K HN 0.266 nan 8.250 nan 0.000 0.484 534 L N 2.003 123.168 121.223 -0.098 0.000 2.479 534 L HA 0.297 4.336 4.340 -0.502 0.000 0.249 534 L C 0.119 176.926 176.870 -0.106 0.000 1.178 534 L CA -0.175 54.598 54.840 -0.112 0.000 0.811 534 L CB 0.270 42.232 42.059 -0.162 0.000 1.187 534 L HN 0.389 nan 8.230 nan 0.000 0.480 535 K N 0.963 121.306 120.400 -0.095 0.000 2.248 535 K HA 0.457 4.476 4.320 -0.502 0.000 0.281 535 K C -1.302 175.224 176.600 -0.123 0.000 1.054 535 K CA 0.059 56.300 56.287 -0.075 0.000 0.903 535 K CB 0.199 32.676 32.500 -0.038 0.000 1.077 535 K HN 0.426 nan 8.250 nan 0.000 0.474 536 L N 5.330 126.473 121.223 -0.134 0.000 2.261 536 L HA 0.327 4.366 4.340 -0.502 0.000 0.289 536 L C 0.243 177.148 176.870 0.058 0.000 1.059 536 L CA -0.706 54.013 54.840 -0.202 0.000 0.816 536 L CB 0.964 42.855 42.059 -0.280 0.000 1.191 536 L HN 0.791 nan 8.230 nan 0.000 0.431 537 T N 0.756 115.389 114.554 0.131 0.000 2.945 537 T HA 0.548 4.597 4.350 -0.502 0.000 0.286 537 T C -2.546 172.276 174.700 0.203 0.000 1.025 537 T CA -2.406 59.781 62.100 0.144 0.000 1.039 537 T CB 1.502 70.422 68.868 0.088 0.000 1.068 537 T HN 0.174 nan 8.240 nan 0.000 0.497 538 P HA 0.121 nan 4.420 nan 0.000 0.263 538 P C -0.503 176.812 177.300 0.026 0.000 1.175 538 P CA 0.109 63.257 63.100 0.079 0.000 0.761 538 P CB 0.128 31.858 31.700 0.050 0.000 0.794 539 I N 6.087 126.625 120.570 -0.054 0.000 2.371 539 I HA 0.118 3.986 4.170 -0.502 0.000 0.290 539 I C -1.186 174.888 176.117 -0.073 0.000 1.028 539 I CA -1.987 59.237 61.300 -0.127 0.000 1.345 539 I CB 1.299 39.136 38.000 -0.273 0.000 1.407 539 I HN 0.316 nan 8.210 nan 0.000 0.501 540 P HA -0.206 nan 4.420 nan 0.000 0.215 540 P C 1.374 178.647 177.300 -0.046 0.000 1.153 540 P CA 1.170 64.248 63.100 -0.036 0.000 0.853 540 P CB 0.217 31.902 31.700 -0.026 0.000 0.788 541 A N -0.248 122.537 122.820 -0.060 0.000 2.070 541 A HA -0.048 3.971 4.320 -0.502 0.000 0.220 541 A C 2.262 179.802 177.584 -0.073 0.000 1.159 541 A CA 1.737 53.738 52.037 -0.061 0.000 0.656 541 A CB -1.402 17.560 19.000 -0.063 0.000 0.800 541 A HN 0.212 nan 8.150 nan 0.000 0.453 542 A N 0.340 123.111 122.820 -0.081 0.000 1.969 542 A HA -0.041 3.978 4.320 -0.502 0.000 0.218 542 A C 2.428 179.967 177.584 -0.075 0.000 1.169 542 A CA 1.942 53.928 52.037 -0.085 0.000 0.635 542 A CB -0.776 18.180 19.000 -0.073 0.000 0.810 542 A HN 0.970 nan 8.150 nan 0.000 0.445 543 S N -0.822 114.845 115.700 -0.055 0.000 2.453 543 S HA -0.044 4.124 4.470 -0.502 0.000 0.231 543 S C 1.765 176.337 174.600 -0.048 0.000 1.005 543 S CA 0.679 58.852 58.200 -0.045 0.000 0.949 543 S CB -0.193 62.989 63.200 -0.029 0.000 0.774 543 S HN 0.513 nan 8.310 nan 0.000 0.510 544 R N 0.530 120.999 120.500 -0.052 0.000 2.223 544 R HA 0.386 4.425 4.340 -0.502 0.000 0.198 544 R C 0.474 176.737 176.300 -0.061 0.000 0.984 544 R CA -0.135 55.937 56.100 -0.047 0.000 1.018 544 R CB -0.682 29.595 30.300 -0.038 0.000 0.945 544 R HN 0.416 nan 8.270 nan 0.000 0.479 545 L N 3.048 124.219 121.223 -0.087 0.000 2.559 545 L HA -0.060 3.978 4.340 -0.502 0.000 0.274 545 L C 0.268 177.064 176.870 -0.124 0.000 1.205 545 L CA 0.068 54.837 54.840 -0.118 0.000 0.907 545 L CB 0.147 42.098 42.059 -0.180 0.000 1.153 545 L HN -0.105 nan 8.230 nan 0.000 0.490 546 D N 4.367 124.708 120.400 -0.098 0.000 2.435 546 D HA 0.121 4.460 4.640 -0.502 0.000 0.230 546 D C 0.248 176.471 176.300 -0.128 0.000 1.215 546 D CA -0.184 53.769 54.000 -0.079 0.000 0.947 546 D CB 0.690 41.471 40.800 -0.031 0.000 1.048 546 D HN 0.209 nan 8.370 nan 0.000 0.512 547 L N 2.745 123.840 121.223 -0.213 0.000 2.783 547 L HA 0.148 4.186 4.340 -0.502 0.000 0.236 547 L C 0.629 177.450 176.870 -0.081 0.000 1.225 547 L CA -0.078 54.531 54.840 -0.385 0.000 1.026 547 L CB -0.770 40.935 42.059 -0.590 0.000 1.314 547 L HN 0.250 nan 8.230 nan 0.000 0.489 548 S N -1.916 113.784 115.700 0.001 0.000 2.592 548 S HA 0.584 4.753 4.470 -0.502 0.000 0.271 548 S C 1.390 176.023 174.600 0.054 0.000 1.326 548 S CA 0.005 58.228 58.200 0.038 0.000 1.024 548 S CB 1.425 64.632 63.200 0.012 0.000 0.921 548 S HN 0.529 nan 8.310 nan 0.000 0.527 549 G N 0.686 109.465 108.800 -0.035 0.000 2.383 549 G HA2 -0.249 3.409 3.960 -0.502 0.000 0.229 549 G HA3 -0.249 3.409 3.960 -0.502 0.000 0.229 549 G C -0.245 174.615 174.900 -0.066 0.000 1.089 549 G CA 0.008 44.931 45.100 -0.294 0.000 0.640 549 G HN 0.735 nan 8.290 nan 0.000 0.510 550 W N 1.314 122.461 121.300 -0.254 0.000 2.266 550 W HA 0.645 5.003 4.660 -0.504 0.000 0.317 550 W C 0.640 176.974 176.519 -0.309 0.000 1.310 550 W CA 0.249 57.258 57.345 -0.560 0.000 1.207 550 W CB -0.442 28.468 29.460 -0.917 0.000 1.199 550 W HN 0.384 nan 8.180 nan 0.000 0.544 551 F N 1.173 121.273 119.950 0.251 0.000 3.039 551 F HA -0.286 3.933 4.527 -0.513 0.000 0.287 551 F C 0.684 176.599 175.800 0.191 0.000 0.956 551 F CA 0.217 58.376 58.000 0.266 0.000 0.971 551 F CB -2.047 37.079 39.000 0.209 0.000 0.943 551 F HN 0.159 nan 8.300 nan 0.000 0.766 552 V N -1.908 118.192 119.914 0.311 0.000 2.599 552 V HA 0.637 4.456 4.120 -0.502 0.000 0.237 552 V C 1.358 177.579 176.094 0.212 0.000 1.081 552 V CA 0.984 63.412 62.300 0.214 0.000 1.107 552 V CB 0.050 31.975 31.823 0.170 0.000 0.808 552 V HN 0.679 nan 8.190 nan 0.000 0.486 553 A N -0.564 122.350 122.820 0.156 0.000 2.593 553 A HA 0.791 4.810 4.320 -0.502 0.000 0.290 553 A C -0.180 177.146 177.584 -0.431 0.000 1.126 553 A CA 0.048 52.043 52.037 -0.070 0.000 0.695 553 A CB 0.998 19.799 19.000 -0.331 0.000 1.290 553 A HN 0.446 nan 8.150 nan 0.000 0.414 554 G N -1.435 106.900 108.800 -0.776 0.000 2.400 554 G HA2 0.533 4.192 3.960 -0.502 0.000 0.301 554 G HA3 0.533 4.192 3.960 -0.502 0.000 0.301 554 G C -0.911 173.375 174.900 -1.024 0.000 1.154 554 G CA -0.043 44.263 45.100 -1.323 0.000 0.852 554 G HN 0.613 nan 8.290 nan 0.000 0.511 555 Y N 0.485 120.586 120.300 -0.331 0.000 2.830 555 Y HA 0.273 4.546 4.550 -0.461 0.000 0.248 555 Y C 1.155 176.983 175.900 -0.120 0.000 1.119 555 Y CA -0.848 57.156 58.100 -0.160 0.000 1.164 555 Y CB 0.346 38.748 38.460 -0.096 0.000 1.237 555 Y HN 0.525 nan 8.280 nan 0.000 0.598 556 S N 0.835 116.513 115.700 -0.036 0.000 2.544 556 S HA 0.349 4.518 4.470 -0.502 0.000 0.290 556 S C 1.437 176.064 174.600 0.045 0.000 1.276 556 S CA 1.463 59.672 58.200 0.015 0.000 1.075 556 S CB 0.146 63.360 63.200 0.024 0.000 0.849 556 S HN 1.118 nan 8.310 nan 0.000 0.494 557 G N 3.540 112.367 108.800 0.046 0.000 2.179 557 G HA2 -0.219 3.440 3.960 -0.502 0.000 0.260 557 G HA3 -0.219 3.440 3.960 -0.502 0.000 0.260 557 G C 0.822 175.756 174.900 0.057 0.000 0.977 557 G CA 0.328 45.462 45.100 0.057 0.000 0.641 557 G HN 1.392 nan 8.290 nan 0.000 0.533 558 G N -0.184 108.651 108.800 0.059 0.000 3.042 558 G HA2 0.395 4.053 3.960 -0.502 0.000 0.212 558 G HA3 0.395 4.053 3.960 -0.502 0.000 0.212 558 G C 0.478 175.390 174.900 0.022 0.000 1.166 558 G CA 1.165 46.312 45.100 0.079 0.000 0.767 558 G HN 1.184 nan 8.290 nan 0.000 0.546 559 D N -0.515 119.865 120.400 -0.033 0.000 2.699 559 D HA -0.159 4.180 4.640 -0.502 0.000 0.239 559 D C -0.176 176.038 176.300 -0.143 0.000 1.136 559 D CA 0.356 54.305 54.000 -0.085 0.000 0.668 559 D CB -1.153 39.612 40.800 -0.058 0.000 1.060 559 D HN 0.106 nan 8.370 nan 0.000 0.429 560 I N 1.331 121.774 120.570 -0.210 0.000 2.404 560 I HA 0.401 4.270 4.170 -0.502 0.000 0.293 560 I C -0.076 175.773 176.117 -0.446 0.000 0.992 560 I CA -0.779 60.283 61.300 -0.396 0.000 1.149 560 I CB 1.256 38.878 38.000 -0.629 0.000 1.315 560 I HN 0.107 nan 8.210 nan 0.000 0.446 561 Y N 6.089 125.985 120.300 -0.673 0.000 2.425 561 Y HA 0.539 4.787 4.550 -0.503 0.000 0.344 561 Y C -0.659 174.772 175.900 -0.782 0.000 0.969 561 Y CA -0.382 57.336 58.100 -0.637 0.000 1.052 561 Y CB 1.313 39.545 38.460 -0.380 0.000 1.215 561 Y HN 0.538 nan 8.280 nan 0.000 0.451 562 H N 0.000 118.453 119.070 -1.028 0.000 2.539 562 H HA 0.000 4.251 4.556 -0.509 0.000 0.296 562 H CA 0.000 55.586 56.048 -0.771 0.000 1.023 562 H CB 0.000 29.414 29.762 -0.580 0.000 1.292 562 H HN 0.000 nan 8.280 nan 0.000 0.496