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 3glg_1_H DATA FIRST_RESID 4 DATA SEQUENCE QVLARKWRPQ TFADVVGQEH VLTALANGLS LGRIHHAYLF SGTRGVGKTS DATA SEQUENCE IARLLAKGLN CETGITATPC GVCDNCREIE QGRFVDLIEI DAASRTKVED DATA SEQUENCE TRDLLDNVQY APARGRFKVY LIDEVHMLSR HSFNALLKTL EEPPEHVKFL DATA SEQUENCE LATADPQKLP VTILSRCLQF HLKALDVEQI RHQLEHILNE EHIAHEPRAL DATA SEQUENCE QLLARAAEGS LRDALSLTDQ AIASGDGQVS TQAVSAMLGT LDDDQALSLV DATA SEQUENCE EAMVEANGER VMALINEAAA RGIEWEALLV EMLGLLHRIA MVQLSPAALG DATA SEQUENCE NDMAAIELRM RELARTIPPT DIQLYYQTLL IGRKELPYAP DRRMGVEMTL DATA SEQUENCE LRALAFHPRM PLPEP 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 176.027 176.000 0.045 0.000 1.003 4 Q CA 0.000 55.822 55.803 0.031 0.000 1.022 4 Q CB 0.000 28.751 28.738 0.022 0.000 1.108 5 V N 2.465 122.406 119.914 0.046 0.000 2.398 5 V HA 0.270 4.388 4.120 -0.003 0.000 0.286 5 V C 1.367 177.518 176.094 0.095 0.000 1.026 5 V CA -0.078 62.257 62.300 0.058 0.000 0.868 5 V CB 1.245 33.094 31.823 0.043 0.000 0.982 5 V HN 0.615 nan 8.190 nan 0.000 0.443 6 L N 3.765 125.058 121.223 0.117 0.000 2.005 6 L HA -0.088 4.250 4.340 -0.003 0.000 0.207 6 L C 2.584 179.581 176.870 0.211 0.000 1.072 6 L CA 1.870 56.831 54.840 0.203 0.000 0.744 6 L CB -0.369 41.761 42.059 0.119 0.000 0.895 6 L HN 0.861 nan 8.230 nan 0.000 0.433 7 A N -0.309 122.581 122.820 0.117 0.000 1.986 7 A HA -0.276 4.042 4.320 -0.003 0.000 0.220 7 A C 2.427 180.071 177.584 0.099 0.000 1.171 7 A CA 1.977 54.070 52.037 0.095 0.000 0.640 7 A CB -0.547 18.485 19.000 0.053 0.000 0.811 7 A HN 0.362 nan 8.150 nan 0.000 0.451 8 R N -0.698 119.851 120.500 0.082 0.000 2.105 8 R HA 0.010 4.348 4.340 -0.003 0.000 0.214 8 R C 2.247 178.562 176.300 0.026 0.000 1.091 8 R CA 1.141 57.268 56.100 0.046 0.000 1.007 8 R CB -0.257 30.059 30.300 0.026 0.000 0.912 8 R HN 0.529 nan 8.270 nan 0.000 0.450 9 K N -0.434 119.982 120.400 0.025 0.000 2.160 9 K HA -0.176 4.142 4.320 -0.003 0.000 0.206 9 K C 0.956 177.385 176.600 -0.284 0.000 1.047 9 K CA 1.667 57.883 56.287 -0.118 0.000 0.930 9 K CB -0.068 32.366 32.500 -0.110 0.000 0.720 9 K HN 0.227 nan 8.250 nan 0.000 0.450 10 W N 1.307 122.606 121.300 -0.002 0.000 3.278 10 W HA 0.223 4.881 4.660 -0.003 0.000 0.308 10 W C 0.098 176.613 176.519 -0.006 0.000 1.253 10 W CA -0.674 56.672 57.345 0.003 0.000 1.759 10 W CB 0.299 29.765 29.460 0.010 0.000 1.093 10 W HN -0.094 nan 8.180 nan 0.000 0.648 11 R N 2.675 123.237 120.500 0.103 0.000 2.526 11 R HA -0.069 4.269 4.340 -0.003 0.000 0.319 11 R C -2.257 174.055 176.300 0.020 0.000 0.888 11 R CA -0.770 55.355 56.100 0.042 0.000 1.127 11 R CB 0.053 30.352 30.300 -0.002 0.000 0.888 11 R HN -0.192 nan 8.270 nan 0.000 0.410 12 P HA -0.051 nan 4.420 nan 0.000 0.265 12 P C -0.446 176.848 177.300 -0.010 0.000 1.193 12 P CA 0.152 63.263 63.100 0.019 0.000 0.765 12 P CB 0.807 32.497 31.700 -0.017 0.000 0.823 13 Q N 0.143 119.942 119.800 -0.001 0.000 2.280 13 Q HA 0.123 4.461 4.340 -0.003 0.000 0.228 13 Q C 0.573 176.584 176.000 0.020 0.000 0.857 13 Q CA 0.686 56.482 55.803 -0.011 0.000 0.939 13 Q CB 0.572 29.287 28.738 -0.038 0.000 1.114 13 Q HN 0.626 nan 8.270 nan 0.000 0.514 14 T N -4.012 110.573 114.554 0.051 0.000 2.883 14 T HA 0.449 4.797 4.350 -0.003 0.000 0.296 14 T C 0.487 175.305 174.700 0.197 0.000 1.117 14 T CA -0.636 61.533 62.100 0.115 0.000 1.006 14 T CB 0.506 69.409 68.868 0.058 0.000 1.191 14 T HN -0.225 nan 8.240 nan 0.000 0.508 15 F N 1.151 121.057 119.950 -0.073 0.000 2.161 15 F HA 0.051 4.576 4.527 -0.003 0.000 0.300 15 F C 2.985 178.745 175.800 -0.067 0.000 1.089 15 F CA 1.249 59.200 58.000 -0.082 0.000 1.282 15 F CB -1.403 37.545 39.000 -0.087 0.000 1.010 15 F HN 0.861 nan 8.300 nan 0.000 0.485 16 A N 0.003 122.913 122.820 0.150 0.000 1.915 16 A HA -0.259 4.059 4.320 -0.003 0.000 0.220 16 A C 1.927 179.524 177.584 0.022 0.000 1.198 16 A CA 2.331 54.404 52.037 0.059 0.000 0.647 16 A CB -0.930 18.094 19.000 0.040 0.000 0.825 16 A HN 0.317 nan 8.150 nan 0.000 0.456 17 D N -0.793 119.627 120.400 0.033 0.000 2.363 17 D HA 0.125 4.763 4.640 -0.003 0.000 0.226 17 D C 0.158 176.456 176.300 -0.004 0.000 1.020 17 D CA 0.239 54.255 54.000 0.027 0.000 0.892 17 D CB -0.013 40.827 40.800 0.065 0.000 0.900 17 D HN 0.200 nan 8.370 nan 0.000 0.531 18 V N 1.287 121.174 119.914 -0.045 0.000 2.509 18 V HA 0.142 4.260 4.120 -0.003 0.000 0.284 18 V C 0.510 176.550 176.094 -0.091 0.000 1.047 18 V CA -0.647 61.596 62.300 -0.094 0.000 0.952 18 V CB 2.195 33.903 31.823 -0.191 0.000 0.988 18 V HN -0.232 nan 8.190 nan 0.000 0.469 19 V N 5.081 124.946 119.914 -0.083 0.000 2.407 19 V HA 0.749 4.867 4.120 -0.003 0.000 0.278 19 V C 0.930 176.981 176.094 -0.071 0.000 1.037 19 V CA 0.795 63.048 62.300 -0.078 0.000 0.900 19 V CB 0.372 32.158 31.823 -0.062 0.000 0.983 19 V HN 1.320 nan 8.190 nan 0.000 0.459 20 G N 4.162 112.925 108.800 -0.062 0.000 2.601 20 G HA2 -0.209 3.749 3.960 -0.003 0.000 0.252 20 G HA3 -0.209 3.749 3.960 -0.003 0.000 0.252 20 G C 0.021 174.901 174.900 -0.033 0.000 1.294 20 G CA 0.093 45.176 45.100 -0.028 0.000 0.912 20 G HN 1.041 nan 8.290 nan 0.000 0.574 21 Q N -1.821 117.997 119.800 0.030 0.000 2.494 21 Q HA -0.215 4.123 4.340 -0.003 0.000 0.272 21 Q C 1.285 177.241 176.000 -0.074 0.000 1.145 21 Q CA 2.026 57.817 55.803 -0.020 0.000 0.943 21 Q CB -1.771 26.872 28.738 -0.159 0.000 1.338 21 Q HN 0.877 nan 8.270 nan 0.000 0.492 22 E N 0.060 120.292 120.200 0.053 0.000 2.086 22 E HA -0.238 4.110 4.350 -0.003 0.000 0.200 22 E C 1.606 178.233 176.600 0.045 0.000 1.012 22 E CA 2.188 58.611 56.400 0.039 0.000 0.812 22 E CB -0.473 29.270 29.700 0.072 0.000 0.743 22 E HN 0.935 nan 8.360 nan 0.000 0.453 23 H N -1.455 117.636 119.070 0.034 0.000 2.422 23 H HA -0.043 4.511 4.556 -0.003 0.000 0.298 23 H C 1.762 177.149 175.328 0.099 0.000 1.098 23 H CA 1.357 57.452 56.048 0.079 0.000 1.315 23 H CB -0.295 29.528 29.762 0.102 0.000 1.382 23 H HN 0.039 nan 8.280 nan 0.000 0.523 24 V N 1.062 120.621 119.914 -0.592 0.000 2.379 24 V HA -0.129 3.989 4.120 -0.003 0.000 0.243 24 V C 2.675 178.537 176.094 -0.386 0.000 1.035 24 V CA 1.202 63.209 62.300 -0.488 0.000 1.035 24 V CB -0.541 30.962 31.823 -0.533 0.000 0.673 24 V HN 0.356 nan 8.190 nan 0.000 0.457 25 L N 0.023 121.063 121.223 -0.305 0.000 1.989 25 L HA -0.221 4.117 4.340 -0.003 0.000 0.211 25 L C 2.719 179.583 176.870 -0.009 0.000 1.071 25 L CA 2.244 56.963 54.840 -0.201 0.000 0.749 25 L CB -1.193 40.757 42.059 -0.182 0.000 0.890 25 L HN 0.355 nan 8.230 nan 0.000 0.431 26 T N 0.027 114.584 114.554 0.006 0.000 2.624 26 T HA -0.288 4.061 4.350 -0.003 0.000 0.268 26 T C 1.967 176.710 174.700 0.071 0.000 1.041 26 T CA 1.666 63.800 62.100 0.055 0.000 1.159 26 T CB -0.400 68.507 68.868 0.066 0.000 0.863 26 T HN 0.493 nan 8.240 nan 0.000 0.434 27 A N 1.215 124.080 122.820 0.075 0.000 1.873 27 A HA -0.091 4.228 4.320 -0.003 0.000 0.218 27 A C 2.348 180.008 177.584 0.125 0.000 1.193 27 A CA 1.662 53.789 52.037 0.150 0.000 0.629 27 A CB -1.031 18.163 19.000 0.324 0.000 0.826 27 A HN 0.491 nan 8.150 nan 0.000 0.447 28 L N -0.789 120.443 121.223 0.016 0.000 1.970 28 L HA -0.236 4.102 4.340 -0.003 0.000 0.212 28 L C 3.142 180.064 176.870 0.087 0.000 1.071 28 L CA 1.443 56.306 54.840 0.038 0.000 0.751 28 L CB -0.767 41.281 42.059 -0.018 0.000 0.889 28 L HN 0.434 nan 8.230 nan 0.000 0.432 29 A N 0.119 123.005 122.820 0.110 0.000 1.883 29 A HA -0.249 4.069 4.320 -0.003 0.000 0.217 29 A C 2.048 179.655 177.584 0.038 0.000 1.186 29 A CA 2.201 54.262 52.037 0.041 0.000 0.624 29 A CB -0.773 18.256 19.000 0.048 0.000 0.822 29 A HN 0.458 nan 8.150 nan 0.000 0.444 30 N N -0.141 118.598 118.700 0.064 0.000 2.348 30 N HA -0.093 4.645 4.740 -0.003 0.000 0.185 30 N C 1.526 177.083 175.510 0.077 0.000 1.019 30 N CA 1.343 54.433 53.050 0.066 0.000 0.880 30 N CB -0.382 38.154 38.487 0.081 0.000 0.965 30 N HN 0.530 nan 8.380 nan 0.000 0.437 31 G N -0.713 108.145 108.800 0.097 0.000 2.673 31 G HA2 0.071 4.029 3.960 -0.003 0.000 0.208 31 G HA3 0.071 4.029 3.960 -0.003 0.000 0.208 31 G C 1.537 176.496 174.900 0.099 0.000 1.128 31 G CA -0.187 44.984 45.100 0.119 0.000 0.805 31 G HN 0.165 nan 8.290 nan 0.000 0.526 32 L N 1.804 123.067 121.223 0.067 0.000 1.994 32 L HA -0.113 4.225 4.340 -0.003 0.000 0.208 32 L C 3.266 180.159 176.870 0.038 0.000 1.071 32 L CA 1.805 56.671 54.840 0.043 0.000 0.745 32 L CB -0.553 41.498 42.059 -0.013 0.000 0.892 32 L HN 0.371 nan 8.230 nan 0.000 0.431 33 S N -0.328 115.385 115.700 0.021 0.000 2.406 33 S HA -0.120 4.348 4.470 -0.003 0.000 0.228 33 S C 1.909 176.530 174.600 0.035 0.000 1.020 33 S CA 0.673 58.884 58.200 0.019 0.000 0.965 33 S CB -0.572 62.631 63.200 0.004 0.000 0.798 33 S HN 0.335 nan 8.310 nan 0.000 0.488 34 L N 1.289 122.540 121.223 0.047 0.000 2.465 34 L HA 0.086 4.424 4.340 -0.003 0.000 0.224 34 L C 2.010 178.915 176.870 0.060 0.000 1.145 34 L CA 0.692 55.564 54.840 0.053 0.000 0.834 34 L CB -0.980 41.117 42.059 0.063 0.000 0.944 34 L HN 0.651 nan 8.230 nan 0.000 0.451 35 G N 0.510 109.350 108.800 0.067 0.000 2.196 35 G HA2 -0.340 3.618 3.960 -0.003 0.000 0.268 35 G HA3 -0.340 3.618 3.960 -0.003 0.000 0.268 35 G C 0.415 175.369 174.900 0.090 0.000 0.975 35 G CA 0.133 45.280 45.100 0.078 0.000 0.648 35 G HN 0.436 nan 8.290 nan 0.000 0.538 36 R N 0.175 120.730 120.500 0.092 0.000 2.235 36 R HA 0.540 4.878 4.340 -0.003 0.000 0.338 36 R C -0.143 176.241 176.300 0.140 0.000 1.087 36 R CA -0.113 56.045 56.100 0.097 0.000 0.948 36 R CB 0.484 30.836 30.300 0.086 0.000 1.099 36 R HN 0.328 nan 8.270 nan 0.000 0.483 37 I N 3.138 123.792 120.570 0.141 0.000 2.448 37 I HA 0.172 4.341 4.170 -0.003 0.000 0.281 37 I C 0.636 176.857 176.117 0.173 0.000 1.027 37 I CA -0.782 60.647 61.300 0.215 0.000 1.111 37 I CB 1.275 39.380 38.000 0.175 0.000 1.236 37 I HN 0.518 nan 8.210 nan 0.000 0.452 38 H N 5.957 125.048 119.070 0.036 0.000 2.711 38 H HA 0.101 4.655 4.556 -0.003 0.000 0.381 38 H C 0.629 175.869 175.328 -0.147 0.000 1.535 38 H CA 1.044 56.927 56.048 -0.274 0.000 1.470 38 H CB 0.900 30.207 29.762 -0.759 0.000 1.551 38 H HN 0.667 nan 8.280 nan 0.000 0.613 39 H N -1.063 118.112 119.070 0.175 0.000 3.046 39 H HA 0.440 4.994 4.556 -0.003 0.000 0.262 39 H C -0.587 174.911 175.328 0.283 0.000 1.044 39 H CA 0.136 56.305 56.048 0.201 0.000 1.209 39 H CB 0.656 30.511 29.762 0.156 0.000 1.507 39 H HN 0.369 nan 8.280 nan 0.000 0.507 40 A N 1.369 124.207 122.820 0.030 0.000 2.466 40 A HA 0.467 4.785 4.320 -0.003 0.000 0.291 40 A C -1.786 175.571 177.584 -0.379 0.000 1.234 40 A CA -0.556 51.482 52.037 0.002 0.000 0.752 40 A CB 0.269 19.279 19.000 0.016 0.000 1.153 40 A HN 0.248 nan 8.150 nan 0.000 0.458 41 Y N 1.337 121.612 120.300 -0.043 0.000 2.308 41 Y HA 0.550 5.098 4.550 -0.003 0.000 0.329 41 Y C 0.058 175.795 175.900 -0.273 0.000 1.111 41 Y CA -0.491 57.493 58.100 -0.194 0.000 1.179 41 Y CB 1.719 40.128 38.460 -0.085 0.000 1.201 41 Y HN 0.617 nan 8.280 nan 0.000 0.483 42 L N 4.319 125.357 121.223 -0.308 0.000 2.356 42 L HA 0.632 4.970 4.340 -0.003 0.000 0.277 42 L C -1.972 174.698 176.870 -0.333 0.000 0.996 42 L CA -0.772 53.936 54.840 -0.221 0.000 0.822 42 L CB 0.531 42.515 42.059 -0.124 0.000 1.256 42 L HN 0.365 nan 8.230 nan 0.000 0.413 43 F N 3.420 123.464 119.950 0.157 0.000 2.467 43 F HA 0.758 5.283 4.527 -0.003 0.000 0.336 43 F C 0.314 176.149 175.800 0.058 0.000 1.123 43 F CA -0.236 57.837 58.000 0.122 0.000 0.964 43 F CB 2.086 41.133 39.000 0.078 0.000 1.136 43 F HN 0.600 nan 8.300 nan 0.000 0.447 44 S N 1.127 116.924 115.700 0.161 0.000 2.627 44 S HA 1.018 5.486 4.470 -0.003 0.000 0.283 44 S C -0.413 173.954 174.600 -0.387 0.000 1.127 44 S CA -0.664 57.522 58.200 -0.023 0.000 0.863 44 S CB 1.997 65.256 63.200 0.098 0.000 1.121 44 S HN 1.392 nan 8.310 nan 0.000 0.479 45 G N 0.618 109.206 108.800 -0.354 0.000 2.334 45 G HA2 0.371 4.329 3.960 -0.003 0.000 0.566 45 G HA3 0.371 4.329 3.960 -0.003 0.000 0.566 45 G C -0.455 174.395 174.900 -0.084 0.000 1.413 45 G CA -0.386 44.496 45.100 -0.363 0.000 0.993 45 G HN 1.382 nan 8.290 nan 0.000 0.642 46 T N -0.466 114.077 114.554 -0.018 0.000 2.748 46 T HA 0.490 4.838 4.350 -0.003 0.000 0.304 46 T C 1.149 175.849 174.700 0.001 0.000 1.041 46 T CA 0.136 62.241 62.100 0.007 0.000 1.033 46 T CB 0.593 69.473 68.868 0.020 0.000 0.995 46 T HN 1.301 nan 8.240 nan 0.000 0.536 47 R N 0.475 120.981 120.500 0.010 0.000 2.566 47 R HA 0.172 4.510 4.340 -0.003 0.000 0.273 47 R C 0.933 177.236 176.300 0.005 0.000 0.981 47 R CA 0.801 56.908 56.100 0.013 0.000 1.091 47 R CB -1.290 29.020 30.300 0.017 0.000 0.924 47 R HN 1.553 nan 8.270 nan 0.000 0.411 48 G N 1.898 110.699 108.800 0.001 0.000 2.147 48 G HA2 -0.240 3.718 3.960 -0.003 0.000 0.244 48 G HA3 -0.240 3.718 3.960 -0.003 0.000 0.244 48 G C 0.218 175.110 174.900 -0.014 0.000 1.005 48 G CA 0.045 45.143 45.100 -0.004 0.000 0.713 48 G HN 0.516 nan 8.290 nan 0.000 0.515 49 V N -0.858 119.042 119.914 -0.023 0.000 3.643 49 V HA 0.576 4.694 4.120 -0.003 0.000 0.280 49 V C 1.969 178.028 176.094 -0.058 0.000 1.351 49 V CA 1.169 63.450 62.300 -0.030 0.000 1.073 49 V CB 0.381 32.191 31.823 -0.022 0.000 0.863 49 V HN 1.894 nan 8.190 nan 0.000 0.436 50 G N 1.368 110.123 108.800 -0.074 0.000 2.164 50 G HA2 -0.185 3.773 3.960 -0.003 0.000 0.154 50 G HA3 -0.185 3.773 3.960 -0.003 0.000 0.154 50 G C 0.858 175.649 174.900 -0.181 0.000 1.014 50 G CA 0.267 45.294 45.100 -0.121 0.000 0.683 50 G HN 0.498 nan 8.290 nan 0.000 0.500 51 K N -0.302 120.016 120.400 -0.137 0.000 1.984 51 K HA -0.028 4.290 4.320 -0.003 0.000 0.209 51 K C 2.095 178.556 176.600 -0.232 0.000 1.046 51 K CA 1.810 57.987 56.287 -0.184 0.000 0.934 51 K CB -0.891 31.599 32.500 -0.017 0.000 0.717 51 K HN 0.114 nan 8.250 nan 0.000 0.438 52 T N 1.596 116.083 114.554 -0.112 0.000 2.737 52 T HA -0.131 4.217 4.350 -0.003 0.000 0.269 52 T C 2.126 176.737 174.700 -0.148 0.000 1.040 52 T CA 1.994 64.039 62.100 -0.092 0.000 1.142 52 T CB -0.337 68.511 68.868 -0.033 0.000 0.861 52 T HN 0.405 nan 8.240 nan 0.000 0.456 53 S N 0.794 116.396 115.700 -0.162 0.000 2.414 53 S HA 0.166 4.634 4.470 -0.003 0.000 0.227 53 S C 2.030 176.482 174.600 -0.246 0.000 1.022 53 S CA 0.318 58.423 58.200 -0.157 0.000 0.958 53 S CB -0.283 62.849 63.200 -0.114 0.000 0.797 53 S HN 0.403 nan 8.310 nan 0.000 0.493 54 I N 2.212 122.554 120.570 -0.380 0.000 2.163 54 I HA -0.189 3.979 4.170 -0.003 0.000 0.240 54 I C 2.911 178.700 176.117 -0.546 0.000 1.081 54 I CA 1.048 62.013 61.300 -0.558 0.000 1.353 54 I CB -0.647 36.907 38.000 -0.743 0.000 1.054 54 I HN 0.301 nan 8.210 nan 0.000 0.407 55 A N 0.956 123.399 122.820 -0.629 0.000 1.915 55 A HA -0.299 4.019 4.320 -0.003 0.000 0.220 55 A C 2.368 179.854 177.584 -0.163 0.000 1.198 55 A CA 2.122 53.934 52.037 -0.375 0.000 0.647 55 A CB -0.748 18.148 19.000 -0.173 0.000 0.825 55 A HN 0.371 nan 8.150 nan 0.000 0.456 56 R N -0.975 119.441 120.500 -0.140 0.000 2.073 56 R HA 0.075 4.413 4.340 -0.003 0.000 0.229 56 R C 2.160 178.428 176.300 -0.053 0.000 1.120 56 R CA 1.198 57.258 56.100 -0.067 0.000 0.967 56 R CB -0.446 29.821 30.300 -0.054 0.000 0.862 56 R HN 0.526 nan 8.270 nan 0.000 0.436 57 L N 0.611 121.795 121.223 -0.065 0.000 2.042 57 L HA -0.227 4.111 4.340 -0.003 0.000 0.210 57 L C 2.358 179.313 176.870 0.143 0.000 1.076 57 L CA 0.717 55.589 54.840 0.053 0.000 0.749 57 L CB -0.480 41.620 42.059 0.069 0.000 0.893 57 L HN 0.202 nan 8.230 nan 0.000 0.432 58 L N 0.380 121.639 121.223 0.061 0.000 1.956 58 L HA -0.234 4.104 4.340 -0.003 0.000 0.216 58 L C 2.726 179.590 176.870 -0.010 0.000 1.073 58 L CA 2.256 57.123 54.840 0.045 0.000 0.762 58 L CB -1.134 40.885 42.059 -0.066 0.000 0.889 58 L HN 0.196 nan 8.230 nan 0.000 0.433 59 A N -0.587 122.223 122.820 -0.017 0.000 1.915 59 A HA -0.375 3.943 4.320 -0.003 0.000 0.220 59 A C 2.497 180.065 177.584 -0.027 0.000 1.198 59 A CA 2.623 54.656 52.037 -0.007 0.000 0.647 59 A CB -0.883 18.126 19.000 0.014 0.000 0.825 59 A HN 0.578 nan 8.150 nan 0.000 0.456 60 K N -1.042 119.328 120.400 -0.049 0.000 2.063 60 K HA -0.145 4.173 4.320 -0.003 0.000 0.208 60 K C 2.044 178.589 176.600 -0.091 0.000 1.048 60 K CA 1.522 57.750 56.287 -0.099 0.000 0.928 60 K CB -0.530 31.922 32.500 -0.079 0.000 0.713 60 K HN 0.448 nan 8.250 nan 0.000 0.442 61 G N 0.896 109.655 108.800 -0.069 0.000 2.421 61 G HA2 -0.169 3.789 3.960 -0.003 0.000 0.217 61 G HA3 -0.169 3.789 3.960 -0.003 0.000 0.217 61 G C 1.432 176.304 174.900 -0.047 0.000 1.143 61 G CA 0.269 45.308 45.100 -0.103 0.000 0.784 61 G HN 0.212 nan 8.290 nan 0.000 0.541 62 L N 0.043 121.261 121.223 -0.009 0.000 2.291 62 L HA 0.105 4.443 4.340 -0.003 0.000 0.214 62 L C 1.862 178.858 176.870 0.210 0.000 1.120 62 L CA 0.487 55.373 54.840 0.078 0.000 0.799 62 L CB 0.032 42.082 42.059 -0.015 0.000 0.925 62 L HN 0.117 nan 8.230 nan 0.000 0.446 63 N N -1.662 117.098 118.700 0.100 0.000 2.171 63 N HA 0.042 4.780 4.740 -0.003 0.000 0.212 63 N C -0.056 175.451 175.510 -0.004 0.000 1.184 63 N CA -0.098 53.013 53.050 0.102 0.000 0.888 63 N CB 0.321 38.860 38.487 0.087 0.000 1.038 63 N HN 0.110 nan 8.380 nan 0.000 0.517 64 C N 2.132 121.409 119.300 -0.039 0.000 2.592 64 C HA 0.034 4.492 4.460 -0.003 0.000 0.408 64 C C 1.871 176.840 174.990 -0.035 0.000 1.436 64 C CA -0.054 58.925 59.018 -0.066 0.000 1.595 64 C CB -0.602 27.094 27.740 -0.073 0.000 2.487 64 C HN 0.442 nan 8.230 nan 0.000 0.610 65 E N 2.065 122.242 120.200 -0.038 0.000 2.333 65 E HA -0.197 4.152 4.350 -0.003 0.000 0.200 65 E C 2.085 178.675 176.600 -0.017 0.000 1.010 65 E CA 1.752 58.141 56.400 -0.018 0.000 0.841 65 E CB 0.089 29.780 29.700 -0.015 0.000 0.757 65 E HN 1.011 nan 8.360 nan 0.000 0.508 66 T N -2.153 112.386 114.554 -0.025 0.000 2.904 66 T HA 0.134 4.482 4.350 -0.003 0.000 0.267 66 T C 0.832 175.523 174.700 -0.016 0.000 1.059 66 T CA 0.710 62.797 62.100 -0.023 0.000 1.137 66 T CB 0.460 69.309 68.868 -0.031 0.000 0.879 66 T HN 0.214 nan 8.240 nan 0.000 0.467 67 G N 0.218 109.011 108.800 -0.011 0.000 2.337 67 G HA2 0.286 4.244 3.960 -0.003 0.000 0.310 67 G HA3 0.286 4.244 3.960 -0.003 0.000 0.310 67 G C -1.095 173.813 174.900 0.012 0.000 1.534 67 G CA -0.911 44.191 45.100 0.003 0.000 0.982 67 G HN 0.413 nan 8.290 nan 0.000 0.672 68 I N 1.571 122.170 120.570 0.048 0.000 2.769 68 I HA 0.251 4.419 4.170 -0.003 0.000 0.285 68 I C 0.812 176.931 176.117 0.004 0.000 1.173 68 I CA 1.037 62.377 61.300 0.067 0.000 1.389 68 I CB 0.355 38.428 38.000 0.122 0.000 1.404 68 I HN 0.487 nan 8.210 nan 0.000 0.544 69 T N 4.156 118.681 114.554 -0.047 0.000 2.894 69 T HA 0.528 4.876 4.350 -0.003 0.000 0.309 69 T C 0.569 175.149 174.700 -0.200 0.000 1.208 69 T CA -0.096 61.945 62.100 -0.099 0.000 1.016 69 T CB 1.780 70.592 68.868 -0.093 0.000 1.192 69 T HN 0.568 nan 8.240 nan 0.000 0.491 70 A N 1.683 124.351 122.820 -0.253 0.000 2.167 70 A HA 0.226 4.545 4.320 -0.003 0.000 0.214 70 A C 1.126 178.329 177.584 -0.636 0.000 1.151 70 A CA 1.183 52.926 52.037 -0.490 0.000 0.735 70 A CB -0.361 18.428 19.000 -0.352 0.000 0.802 70 A HN 0.896 nan 8.150 nan 0.000 0.467 71 T N -0.102 114.242 114.554 -0.350 0.000 3.331 71 T HA 0.467 4.815 4.350 -0.003 0.000 0.381 71 T C -2.711 171.880 174.700 -0.182 0.000 1.656 71 T CA -1.882 60.061 62.100 -0.262 0.000 1.453 71 T CB 0.834 69.605 68.868 -0.161 0.000 1.066 71 T HN 0.161 nan 8.240 nan 0.000 0.655 72 P HA 0.076 nan 4.420 nan 0.000 0.268 72 P C 1.229 178.472 177.300 -0.095 0.000 1.208 72 P CA -0.397 62.625 63.100 -0.129 0.000 0.777 72 P CB 0.674 32.301 31.700 -0.122 0.000 0.875 73 C N -1.349 117.903 119.300 -0.080 0.000 2.673 73 C HA 0.388 4.846 4.460 -0.003 0.000 0.264 73 C C 1.823 176.779 174.990 -0.056 0.000 1.304 73 C CA 0.317 59.298 59.018 -0.062 0.000 1.727 73 C CB -1.505 26.203 27.740 -0.054 0.000 1.932 73 C HN 0.768 nan 8.230 nan 0.000 0.563 74 G N 1.053 109.814 108.800 -0.065 0.000 2.212 74 G HA2 -0.267 3.691 3.960 -0.003 0.000 0.267 74 G HA3 -0.267 3.691 3.960 -0.003 0.000 0.267 74 G C 0.729 175.597 174.900 -0.054 0.000 1.002 74 G CA 1.412 46.476 45.100 -0.060 0.000 0.729 74 G HN 1.675 nan 8.290 nan 0.000 0.517 75 V N -3.225 116.658 119.914 -0.053 0.000 3.229 75 V HA 0.259 4.377 4.120 -0.003 0.000 0.239 75 V C 2.011 178.081 176.094 -0.041 0.000 1.390 75 V CA 0.885 63.159 62.300 -0.042 0.000 1.231 75 V CB -0.613 31.191 31.823 -0.033 0.000 1.025 75 V HN 1.354 nan 8.190 nan 0.000 0.461 76 C N 1.858 121.130 119.300 -0.047 0.000 2.702 76 C HA 0.236 4.695 4.460 -0.003 0.000 0.411 76 C C 1.800 176.763 174.990 -0.046 0.000 1.286 76 C CA 0.608 59.602 59.018 -0.041 0.000 1.979 76 C CB -0.041 27.672 27.740 -0.045 0.000 2.728 76 C HN 0.634 nan 8.230 nan 0.000 0.652 77 D N 1.989 122.377 120.400 -0.020 0.000 2.126 77 D HA -0.151 4.487 4.640 -0.003 0.000 0.190 77 D C 1.804 178.089 176.300 -0.025 0.000 1.001 77 D CA 2.143 56.144 54.000 0.002 0.000 0.841 77 D CB -0.349 40.473 40.800 0.038 0.000 0.949 77 D HN 0.756 nan 8.370 nan 0.000 0.446 78 N N 0.106 118.764 118.700 -0.069 0.000 2.061 78 N HA -0.142 4.596 4.740 -0.003 0.000 0.193 78 N C 2.044 177.288 175.510 -0.443 0.000 1.030 78 N CA 0.846 53.688 53.050 -0.347 0.000 0.856 78 N CB -0.948 37.324 38.487 -0.358 0.000 1.023 78 N HN 0.260 nan 8.380 nan 0.000 0.424 79 C N 0.764 119.912 119.300 -0.254 0.000 2.442 79 C HA -0.007 4.451 4.460 -0.003 0.000 0.279 79 C C 2.706 177.603 174.990 -0.155 0.000 1.237 79 C CA 0.359 59.254 59.018 -0.207 0.000 1.722 79 C CB -0.907 26.753 27.740 -0.134 0.000 2.056 79 C HN 0.473 nan 8.230 nan 0.000 0.469 80 R N 0.490 120.928 120.500 -0.102 0.000 2.083 80 R HA -0.174 4.164 4.340 -0.003 0.000 0.237 80 R C 2.140 178.410 176.300 -0.049 0.000 1.137 80 R CA 1.750 57.812 56.100 -0.064 0.000 0.951 80 R CB -0.410 29.866 30.300 -0.040 0.000 0.851 80 R HN 0.639 nan 8.270 nan 0.000 0.434 81 E N 0.344 120.522 120.200 -0.036 0.000 2.097 81 E HA -0.223 4.125 4.350 -0.003 0.000 0.196 81 E C 1.932 178.550 176.600 0.029 0.000 1.000 81 E CA 1.494 57.917 56.400 0.039 0.000 0.804 81 E CB -0.137 29.666 29.700 0.173 0.000 0.740 81 E HN 0.367 nan 8.360 nan 0.000 0.454 82 I N 0.717 121.228 120.570 -0.098 0.000 2.394 82 I HA -0.220 3.948 4.170 -0.003 0.000 0.251 82 I C 2.296 178.392 176.117 -0.035 0.000 1.136 82 I CA 0.961 62.220 61.300 -0.070 0.000 1.425 82 I CB -0.271 37.606 38.000 -0.205 0.000 1.079 82 I HN 0.105 nan 8.210 nan 0.000 0.425 83 E N 0.721 120.890 120.200 -0.052 0.000 2.152 83 E HA -0.208 4.140 4.350 -0.003 0.000 0.192 83 E C 1.852 178.437 176.600 -0.025 0.000 0.983 83 E CA 0.923 57.297 56.400 -0.043 0.000 0.818 83 E CB 0.078 29.747 29.700 -0.053 0.000 0.758 83 E HN 0.582 nan 8.360 nan 0.000 0.467 84 Q N -1.075 118.719 119.800 -0.010 0.000 2.360 84 Q HA 0.097 4.435 4.340 -0.003 0.000 0.202 84 Q C 0.855 176.865 176.000 0.016 0.000 0.915 84 Q CA 0.398 56.201 55.803 -0.000 0.000 0.943 84 Q CB 0.981 29.722 28.738 0.005 0.000 1.064 84 Q HN 0.356 nan 8.270 nan 0.000 0.511 85 G N 2.460 111.277 108.800 0.028 0.000 2.153 85 G HA2 -0.341 3.617 3.960 -0.003 0.000 0.252 85 G HA3 -0.341 3.617 3.960 -0.003 0.000 0.252 85 G C 0.146 175.084 174.900 0.062 0.000 0.994 85 G CA 0.493 45.619 45.100 0.042 0.000 0.698 85 G HN 0.461 nan 8.290 nan 0.000 0.521 86 R N -1.463 119.086 120.500 0.081 0.000 2.983 86 R HA 0.653 4.991 4.340 -0.003 0.000 0.300 86 R C -0.662 175.729 176.300 0.152 0.000 1.367 86 R CA -0.990 55.160 56.100 0.084 0.000 1.564 86 R CB 0.299 30.631 30.300 0.052 0.000 1.314 86 R HN 0.291 nan 8.270 nan 0.000 0.622 87 F N 1.497 121.441 119.950 -0.011 0.000 2.477 87 F HA 0.298 4.823 4.527 -0.003 0.000 0.335 87 F C 0.727 176.518 175.800 -0.016 0.000 1.130 87 F CA -1.620 56.373 58.000 -0.012 0.000 0.948 87 F CB 1.893 40.885 39.000 -0.013 0.000 1.154 87 F HN -0.023 nan 8.300 nan 0.000 0.439 88 V N 4.302 123.879 119.914 -0.562 0.000 3.330 88 V HA -0.130 3.988 4.120 -0.003 0.000 0.273 88 V C 0.561 176.334 176.094 -0.534 0.000 1.179 88 V CA 1.659 63.697 62.300 -0.438 0.000 1.174 88 V CB -0.863 30.777 31.823 -0.304 0.000 0.794 88 V HN 0.717 nan 8.190 nan 0.000 0.527 89 D N -0.636 119.237 120.400 -0.879 0.000 2.527 89 D HA 0.219 4.857 4.640 -0.003 0.000 0.224 89 D C 0.061 176.276 176.300 -0.142 0.000 1.217 89 D CA -0.116 53.601 54.000 -0.472 0.000 0.819 89 D CB 1.383 41.920 40.800 -0.438 0.000 1.061 89 D HN 0.360 nan 8.370 nan 0.000 0.515 90 L N 2.301 123.539 121.223 0.024 0.000 2.283 90 L HA 0.395 4.733 4.340 -0.003 0.000 0.281 90 L C -0.616 176.251 176.870 -0.004 0.000 1.033 90 L CA -0.427 54.463 54.840 0.083 0.000 0.848 90 L CB 0.414 42.613 42.059 0.234 0.000 1.226 90 L HN -0.130 nan 8.230 nan 0.000 0.429 91 I N 3.595 124.108 120.570 -0.095 0.000 2.281 91 I HA 0.279 4.447 4.170 -0.003 0.000 0.293 91 I C 0.181 176.334 176.117 0.060 0.000 1.085 91 I CA -0.320 60.961 61.300 -0.032 0.000 1.257 91 I CB 0.547 38.503 38.000 -0.074 0.000 1.430 91 I HN 0.624 nan 8.210 nan 0.000 0.489 92 E N 6.582 126.821 120.200 0.066 0.000 2.105 92 E HA 0.405 4.753 4.350 -0.003 0.000 0.285 92 E C -0.808 175.845 176.600 0.088 0.000 1.055 92 E CA -0.487 55.962 56.400 0.080 0.000 0.843 92 E CB 1.026 30.761 29.700 0.060 0.000 1.067 92 E HN 0.559 nan 8.360 nan 0.000 0.398 93 I N 3.860 124.498 120.570 0.114 0.000 2.321 93 I HA 0.054 4.222 4.170 -0.003 0.000 0.291 93 I C -0.077 176.076 176.117 0.060 0.000 0.998 93 I CA -0.450 60.908 61.300 0.096 0.000 1.227 93 I CB 1.241 39.318 38.000 0.128 0.000 1.368 93 I HN 0.453 nan 8.210 nan 0.000 0.466 94 D N 6.601 127.022 120.400 0.035 0.000 2.517 94 D HA 0.197 4.835 4.640 -0.003 0.000 0.220 94 D C 1.081 177.373 176.300 -0.013 0.000 1.158 94 D CA -0.052 53.956 54.000 0.013 0.000 0.992 94 D CB 1.079 41.886 40.800 0.012 0.000 1.058 94 D HN 0.640 nan 8.370 nan 0.000 0.516 95 A N 3.271 126.074 122.820 -0.029 0.000 2.032 95 A HA -0.132 4.186 4.320 -0.003 0.000 0.221 95 A C 2.103 179.628 177.584 -0.098 0.000 1.165 95 A CA 1.715 53.709 52.037 -0.072 0.000 0.645 95 A CB -0.289 18.653 19.000 -0.097 0.000 0.807 95 A HN 0.568 nan 8.150 nan 0.000 0.453 96 A N -0.885 121.880 122.820 -0.091 0.000 2.119 96 A HA 0.101 4.419 4.320 -0.003 0.000 0.217 96 A C 2.234 179.793 177.584 -0.043 0.000 1.153 96 A CA 1.726 53.715 52.037 -0.080 0.000 0.692 96 A CB -0.328 18.636 19.000 -0.061 0.000 0.799 96 A HN 0.490 nan 8.150 nan 0.000 0.458 97 S N -0.556 115.126 115.700 -0.032 0.000 2.506 97 S HA 0.098 4.566 4.470 -0.003 0.000 0.230 97 S C 1.013 175.596 174.600 -0.028 0.000 1.066 97 S CA -0.160 58.027 58.200 -0.021 0.000 0.940 97 S CB -0.003 63.192 63.200 -0.009 0.000 0.818 97 S HN 0.407 nan 8.310 nan 0.000 0.518 98 R N 3.481 123.962 120.500 -0.030 0.000 4.556 98 R HA 0.173 4.511 4.340 -0.003 0.000 0.197 98 R C 1.044 177.304 176.300 -0.066 0.000 1.791 98 R CA 0.243 56.322 56.100 -0.037 0.000 1.526 98 R CB -1.366 28.920 30.300 -0.023 0.000 1.410 98 R HN 0.614 nan 8.270 nan 0.000 0.826 99 T N -2.846 111.666 114.554 -0.070 0.000 3.054 99 T HA 0.088 4.436 4.350 -0.003 0.000 0.259 99 T C 0.792 175.431 174.700 -0.103 0.000 1.092 99 T CA 0.271 62.310 62.100 -0.102 0.000 1.121 99 T CB 0.554 69.372 68.868 -0.083 0.000 0.912 99 T HN 0.149 nan 8.240 nan 0.000 0.489 100 K N 0.856 121.212 120.400 -0.072 0.000 2.120 100 K HA 0.371 4.689 4.320 -0.003 0.000 0.245 100 K C 1.373 177.936 176.600 -0.062 0.000 1.024 100 K CA -0.324 55.924 56.287 -0.064 0.000 0.906 100 K CB 1.076 33.545 32.500 -0.052 0.000 1.051 100 K HN -0.130 nan 8.250 nan 0.000 0.491 101 V N 1.066 120.951 119.914 -0.049 0.000 2.307 101 V HA -0.192 3.926 4.120 -0.003 0.000 0.245 101 V C 1.937 178.012 176.094 -0.032 0.000 1.045 101 V CA 1.528 63.811 62.300 -0.028 0.000 1.024 101 V CB -0.513 31.313 31.823 0.006 0.000 0.651 101 V HN 0.670 nan 8.190 nan 0.000 0.449 102 E N 0.488 120.668 120.200 -0.034 0.000 2.160 102 E HA -0.225 4.123 4.350 -0.003 0.000 0.195 102 E C 1.920 178.504 176.600 -0.026 0.000 0.991 102 E CA 1.461 57.845 56.400 -0.027 0.000 0.810 102 E CB -0.412 29.273 29.700 -0.026 0.000 0.742 102 E HN 0.633 nan 8.360 nan 0.000 0.466 103 D N 0.260 120.641 120.400 -0.032 0.000 2.078 103 D HA -0.098 4.540 4.640 -0.003 0.000 0.193 103 D C 1.952 178.230 176.300 -0.037 0.000 0.990 103 D CA 1.709 55.691 54.000 -0.029 0.000 0.827 103 D CB -0.637 40.142 40.800 -0.034 0.000 0.975 103 D HN 0.130 nan 8.370 nan 0.000 0.451 104 T N 1.288 115.809 114.554 -0.054 0.000 2.685 104 T HA -0.205 4.143 4.350 -0.003 0.000 0.268 104 T C 2.019 176.684 174.700 -0.059 0.000 1.034 104 T CA 1.316 63.375 62.100 -0.068 0.000 1.149 104 T CB -0.160 68.657 68.868 -0.086 0.000 0.860 104 T HN 0.148 nan 8.240 nan 0.000 0.449 105 R N 0.802 121.276 120.500 -0.043 0.000 2.091 105 R HA -0.097 4.241 4.340 -0.003 0.000 0.238 105 R C 2.271 178.549 176.300 -0.037 0.000 1.136 105 R CA 1.632 57.710 56.100 -0.036 0.000 0.959 105 R CB -0.300 29.986 30.300 -0.023 0.000 0.856 105 R HN 0.375 nan 8.270 nan 0.000 0.437 106 D N 0.510 120.894 120.400 -0.026 0.000 2.178 106 D HA -0.146 4.492 4.640 -0.003 0.000 0.201 106 D C 1.882 178.170 176.300 -0.020 0.000 0.980 106 D CA 1.037 55.027 54.000 -0.016 0.000 0.842 106 D CB -0.123 40.677 40.800 0.000 0.000 0.948 106 D HN 0.215 nan 8.370 nan 0.000 0.472 107 L N 0.122 121.323 121.223 -0.038 0.000 2.005 107 L HA -0.107 4.231 4.340 -0.003 0.000 0.207 107 L C 2.586 179.385 176.870 -0.117 0.000 1.072 107 L CA 0.654 55.455 54.840 -0.065 0.000 0.744 107 L CB -0.492 41.513 42.059 -0.090 0.000 0.895 107 L HN 0.019 nan 8.230 nan 0.000 0.433 108 L N -0.240 120.919 121.223 -0.108 0.000 1.997 108 L HA -0.306 4.032 4.340 -0.003 0.000 0.216 108 L C 2.355 179.173 176.870 -0.087 0.000 1.074 108 L CA 1.481 56.266 54.840 -0.091 0.000 0.763 108 L CB -0.937 41.080 42.059 -0.071 0.000 0.890 108 L HN 0.327 nan 8.230 nan 0.000 0.434 109 D N 0.130 120.480 120.400 -0.083 0.000 2.172 109 D HA -0.179 4.459 4.640 -0.003 0.000 0.196 109 D C 1.592 177.760 176.300 -0.220 0.000 0.999 109 D CA 1.224 55.154 54.000 -0.118 0.000 0.856 109 D CB -0.318 40.436 40.800 -0.077 0.000 0.934 109 D HN 0.329 nan 8.370 nan 0.000 0.453 110 N N -0.035 118.578 118.700 -0.146 0.000 2.314 110 N HA 0.015 4.753 4.740 -0.003 0.000 0.200 110 N C 1.422 176.915 175.510 -0.028 0.000 1.135 110 N CA -0.035 52.920 53.050 -0.159 0.000 0.835 110 N CB 0.956 39.470 38.487 0.044 0.000 0.989 110 N HN 0.067 nan 8.380 nan 0.000 0.478 111 V N 1.814 121.709 119.914 -0.032 0.000 2.283 111 V HA -0.270 3.848 4.120 -0.003 0.000 0.243 111 V C 2.589 178.743 176.094 0.100 0.000 1.039 111 V CA 1.685 64.036 62.300 0.085 0.000 1.016 111 V CB -0.398 31.452 31.823 0.045 0.000 0.650 111 V HN 0.410 nan 8.190 nan 0.000 0.449 112 Q N -0.229 119.575 119.800 0.008 0.000 2.082 112 Q HA -0.248 4.090 4.340 -0.003 0.000 0.211 112 Q C 0.448 176.623 176.000 0.291 0.000 1.002 112 Q CA 1.806 57.667 55.803 0.097 0.000 0.868 112 Q CB -0.888 27.831 28.738 -0.032 0.000 0.931 112 Q HN 0.526 nan 8.270 nan 0.000 0.414 113 Y N 1.606 122.011 120.300 0.175 0.000 2.717 113 Y HA 0.253 4.801 4.550 -0.003 0.000 0.330 113 Y C 0.730 176.760 175.900 0.218 0.000 1.217 113 Y CA -0.737 57.446 58.100 0.139 0.000 1.506 113 Y CB -0.320 38.195 38.460 0.091 0.000 1.268 113 Y HN 0.281 nan 8.280 nan 0.000 0.561 114 A N 6.716 129.695 122.820 0.264 0.000 2.351 114 A HA 0.430 4.748 4.320 -0.003 0.000 0.257 114 A C -1.976 175.696 177.584 0.147 0.000 1.087 114 A CA -1.462 50.671 52.037 0.160 0.000 0.798 114 A CB -0.545 18.403 19.000 -0.085 0.000 1.033 114 A HN 0.560 nan 8.150 nan 0.000 0.488 115 P HA 0.115 nan 4.420 nan 0.000 0.266 115 P C 0.548 177.840 177.300 -0.012 0.000 1.193 115 P CA 0.627 63.756 63.100 0.050 0.000 0.770 115 P CB 0.840 32.577 31.700 0.062 0.000 0.836 116 A N 3.520 126.299 122.820 -0.067 0.000 1.975 116 A HA -0.027 4.291 4.320 -0.003 0.000 0.215 116 A C 1.935 179.474 177.584 -0.075 0.000 1.170 116 A CA 0.985 52.974 52.037 -0.079 0.000 0.656 116 A CB -0.166 18.767 19.000 -0.111 0.000 0.821 116 A HN 0.522 nan 8.150 nan 0.000 0.449 117 R N -2.251 118.195 120.500 -0.090 0.000 2.591 117 R HA 0.156 4.494 4.340 -0.003 0.000 0.288 117 R C 0.599 176.944 176.300 0.074 0.000 0.947 117 R CA 0.643 56.730 56.100 -0.022 0.000 1.085 117 R CB 1.069 31.353 30.300 -0.027 0.000 1.618 117 R HN 0.421 nan 8.270 nan 0.000 0.524 118 G N -0.546 108.305 108.800 0.086 0.000 2.644 118 G HA2 0.297 4.255 3.960 -0.003 0.000 0.307 118 G HA3 0.297 4.255 3.960 -0.003 0.000 0.307 118 G C 0.265 175.193 174.900 0.046 0.000 1.250 118 G CA -0.535 44.669 45.100 0.174 0.000 0.996 118 G HN -0.059 nan 8.290 nan 0.000 0.489 119 R N -1.350 119.140 120.500 -0.017 0.000 2.127 119 R HA 0.002 4.340 4.340 -0.003 0.000 0.238 119 R C -0.301 175.719 176.300 -0.467 0.000 1.134 119 R CA 1.161 57.081 56.100 -0.300 0.000 0.975 119 R CB -0.138 29.884 30.300 -0.463 0.000 0.865 119 R HN 0.355 nan 8.270 nan 0.000 0.447 120 F N -0.718 119.288 119.950 0.093 0.000 2.601 120 F HA 0.347 4.872 4.527 -0.003 0.000 0.309 120 F C -0.229 175.577 175.800 0.011 0.000 1.089 120 F CA -1.104 56.935 58.000 0.064 0.000 0.940 120 F CB 1.574 40.605 39.000 0.050 0.000 1.273 120 F HN -0.417 nan 8.300 nan 0.000 0.450 121 K N 2.060 122.535 120.400 0.125 0.000 2.285 121 K HA 0.592 4.910 4.320 -0.003 0.000 0.286 121 K C -1.327 175.148 176.600 -0.208 0.000 1.072 121 K CA -0.295 55.924 56.287 -0.113 0.000 0.913 121 K CB 0.898 33.274 32.500 -0.206 0.000 1.067 121 K HN 0.457 nan 8.250 nan 0.000 0.479 122 V N 6.126 125.915 119.914 -0.209 0.000 2.328 122 V HA 0.204 4.322 4.120 -0.003 0.000 0.278 122 V C -0.884 175.037 176.094 -0.288 0.000 1.021 122 V CA -0.846 61.339 62.300 -0.192 0.000 0.838 122 V CB 0.350 32.156 31.823 -0.028 0.000 0.999 122 V HN 0.594 nan 8.190 nan 0.000 0.447 123 Y N 5.208 125.428 120.300 -0.133 0.000 2.336 123 Y HA 0.495 5.043 4.550 -0.003 0.000 0.335 123 Y C 0.060 176.010 175.900 0.083 0.000 1.046 123 Y CA -0.604 57.484 58.100 -0.021 0.000 1.198 123 Y CB 1.223 39.677 38.460 -0.010 0.000 1.182 123 Y HN 0.529 nan 8.280 nan 0.000 0.502 124 L N 6.004 127.360 121.223 0.221 0.000 2.295 124 L HA 0.532 4.870 4.340 -0.003 0.000 0.281 124 L C -1.105 175.886 176.870 0.202 0.000 1.018 124 L CA -0.803 54.160 54.840 0.205 0.000 0.841 124 L CB 0.222 42.362 42.059 0.134 0.000 1.218 124 L HN 0.532 nan 8.230 nan 0.000 0.424 125 I N 4.674 125.379 120.570 0.226 0.000 2.282 125 I HA 0.239 4.407 4.170 -0.003 0.000 0.290 125 I C -0.180 176.012 176.117 0.126 0.000 1.090 125 I CA -0.318 61.082 61.300 0.166 0.000 1.231 125 I CB 0.545 38.645 38.000 0.166 0.000 1.434 125 I HN 0.566 nan 8.210 nan 0.000 0.487 126 D N 5.777 126.231 120.400 0.090 0.000 2.283 126 D HA 0.121 4.759 4.640 -0.003 0.000 0.248 126 D C 0.428 176.738 176.300 0.017 0.000 1.072 126 D CA 0.234 54.277 54.000 0.071 0.000 0.929 126 D CB 0.882 41.719 40.800 0.061 0.000 1.182 126 D HN 0.325 nan 8.370 nan 0.000 0.433 127 E N 0.889 121.102 120.200 0.021 0.000 2.360 127 E HA -0.166 4.182 4.350 -0.003 0.000 0.238 127 E C 0.861 177.267 176.600 -0.324 0.000 1.186 127 E CA 0.206 56.545 56.400 -0.102 0.000 0.719 127 E CB -1.846 27.797 29.700 -0.096 0.000 1.236 127 E HN 0.264 nan 8.360 nan 0.000 0.386 128 V N 1.310 121.177 119.914 -0.078 0.000 3.383 128 V HA -0.187 3.931 4.120 -0.003 0.000 0.272 128 V C 2.146 178.269 176.094 0.048 0.000 1.181 128 V CA 1.969 64.256 62.300 -0.022 0.000 1.171 128 V CB -0.631 31.264 31.823 0.119 0.000 0.800 128 V HN 0.575 nan 8.190 nan 0.000 0.515 129 H N -2.467 116.710 119.070 0.179 0.000 2.547 129 H HA 0.120 4.674 4.556 -0.003 0.000 0.266 129 H C 1.595 177.052 175.328 0.216 0.000 0.988 129 H CA 0.183 56.388 56.048 0.261 0.000 1.147 129 H CB -0.036 29.822 29.762 0.161 0.000 1.365 129 H HN 0.383 nan 8.280 nan 0.000 0.589 130 M N 1.161 120.654 119.600 -0.179 0.000 2.441 130 M HA 0.201 4.679 4.480 -0.003 0.000 0.244 130 M C 0.694 176.928 176.300 -0.110 0.000 1.122 130 M CA -0.150 55.104 55.300 -0.076 0.000 1.041 130 M CB 0.033 32.513 32.600 -0.199 0.000 1.438 130 M HN 0.165 nan 8.290 nan 0.000 0.484 131 L N 1.947 122.994 121.223 -0.294 0.000 2.525 131 L HA -0.027 4.311 4.340 -0.003 0.000 0.278 131 L C 1.056 177.681 176.870 -0.408 0.000 1.218 131 L CA -0.237 54.284 54.840 -0.532 0.000 0.878 131 L CB 0.120 41.513 42.059 -1.110 0.000 1.127 131 L HN 0.306 nan 8.230 nan 0.000 0.492 132 S N 3.083 118.652 115.700 -0.218 0.000 2.569 132 S HA 0.003 4.472 4.470 -0.003 0.000 0.274 132 S C 1.096 175.728 174.600 0.053 0.000 1.353 132 S CA -0.398 57.784 58.200 -0.031 0.000 1.023 132 S CB 0.857 64.058 63.200 0.001 0.000 0.876 132 S HN 0.748 nan 8.310 nan 0.000 0.540 133 R N 0.320 120.945 120.500 0.207 0.000 2.105 133 R HA -0.182 4.156 4.340 -0.003 0.000 0.239 133 R C 2.034 178.440 176.300 0.175 0.000 1.135 133 R CA 1.787 58.048 56.100 0.268 0.000 0.967 133 R CB -0.541 29.860 30.300 0.167 0.000 0.861 133 R HN 0.857 nan 8.270 nan 0.000 0.442 134 H N -0.446 118.651 119.070 0.045 0.000 2.321 134 H HA -0.088 4.466 4.556 -0.003 0.000 0.300 134 H C 2.310 177.630 175.328 -0.012 0.000 1.087 134 H CA 2.016 58.074 56.048 0.015 0.000 1.319 134 H CB 0.004 29.762 29.762 -0.006 0.000 1.379 134 H HN 0.401 nan 8.280 nan 0.000 0.501 135 S N 0.171 115.902 115.700 0.052 0.000 2.453 135 S HA -0.086 4.382 4.470 -0.003 0.000 0.231 135 S C 2.043 176.578 174.600 -0.108 0.000 1.005 135 S CA 0.309 58.470 58.200 -0.065 0.000 0.949 135 S CB -0.749 62.369 63.200 -0.137 0.000 0.774 135 S HN 0.225 nan 8.310 nan 0.000 0.510 136 F N 3.084 123.025 119.950 -0.015 0.000 2.046 136 F HA -0.086 4.439 4.527 -0.003 0.000 0.297 136 F C 2.724 178.486 175.800 -0.063 0.000 1.123 136 F CA 1.566 59.541 58.000 -0.042 0.000 1.199 136 F CB -0.495 38.485 39.000 -0.033 0.000 0.972 136 F HN 0.271 nan 8.300 nan 0.000 0.474 137 N N 0.384 119.165 118.700 0.134 0.000 2.289 137 N HA -0.157 4.581 4.740 -0.003 0.000 0.184 137 N C 1.874 177.383 175.510 -0.002 0.000 1.016 137 N CA 1.022 54.091 53.050 0.030 0.000 0.872 137 N CB -0.360 38.112 38.487 -0.025 0.000 0.973 137 N HN 0.262 nan 8.380 nan 0.000 0.433 138 A N 1.658 124.475 122.820 -0.005 0.000 1.969 138 A HA -0.028 4.290 4.320 -0.003 0.000 0.218 138 A C 2.253 179.805 177.584 -0.053 0.000 1.169 138 A CA 0.702 52.724 52.037 -0.025 0.000 0.635 138 A CB -0.519 18.468 19.000 -0.021 0.000 0.810 138 A HN 0.170 nan 8.150 nan 0.000 0.445 139 L N -0.481 120.705 121.223 -0.062 0.000 2.291 139 L HA -0.104 4.235 4.340 -0.003 0.000 0.214 139 L C 2.385 179.185 176.870 -0.117 0.000 1.120 139 L CA 0.353 55.118 54.840 -0.124 0.000 0.799 139 L CB -0.417 41.566 42.059 -0.128 0.000 0.925 139 L HN 0.424 nan 8.230 nan 0.000 0.446 140 L N -0.030 121.159 121.223 -0.057 0.000 1.971 140 L HA -0.304 4.035 4.340 -0.003 0.000 0.215 140 L C 2.632 179.470 176.870 -0.053 0.000 1.072 140 L CA 1.824 56.636 54.840 -0.047 0.000 0.758 140 L CB -0.400 41.641 42.059 -0.029 0.000 0.889 140 L HN 0.280 nan 8.230 nan 0.000 0.433 141 K N -0.969 119.403 120.400 -0.047 0.000 2.103 141 K HA -0.091 4.227 4.320 -0.003 0.000 0.204 141 K C 1.884 178.457 176.600 -0.044 0.000 1.052 141 K CA 1.681 57.946 56.287 -0.036 0.000 0.945 141 K CB -0.177 32.307 32.500 -0.027 0.000 0.722 141 K HN 0.333 nan 8.250 nan 0.000 0.443 142 T N 1.496 116.011 114.554 -0.065 0.000 2.962 142 T HA -0.081 4.267 4.350 -0.003 0.000 0.270 142 T C 1.571 176.220 174.700 -0.085 0.000 1.088 142 T CA 0.697 62.764 62.100 -0.054 0.000 1.127 142 T CB 0.010 68.841 68.868 -0.060 0.000 0.883 142 T HN 0.047 nan 8.240 nan 0.000 0.493 143 L N 0.835 121.965 121.223 -0.155 0.000 2.477 143 L HA 0.272 4.610 4.340 -0.003 0.000 0.220 143 L C 2.268 179.177 176.870 0.065 0.000 1.106 143 L CA 1.040 55.784 54.840 -0.159 0.000 0.851 143 L CB -0.118 41.793 42.059 -0.245 0.000 0.994 143 L HN 0.216 nan 8.230 nan 0.000 0.462 144 E N -0.109 120.107 120.200 0.027 0.000 2.250 144 E HA -0.053 4.295 4.350 -0.003 0.000 0.192 144 E C 0.152 176.734 176.600 -0.030 0.000 0.986 144 E CA 0.663 57.115 56.400 0.087 0.000 0.849 144 E CB 0.261 29.984 29.700 0.039 0.000 0.797 144 E HN 0.515 nan 8.360 nan 0.000 0.482 145 E N 1.214 121.349 120.200 -0.110 0.000 3.832 145 E HA 0.205 4.553 4.350 -0.003 0.000 0.250 145 E C -2.505 174.032 176.600 -0.104 0.000 1.215 145 E CA -1.445 54.870 56.400 -0.141 0.000 1.179 145 E CB 1.421 31.088 29.700 -0.055 0.000 1.270 145 E HN 0.219 nan 8.360 nan 0.000 0.405 146 P HA 0.159 nan 4.420 nan 0.000 0.274 146 P C -2.485 174.827 177.300 0.020 0.000 1.264 146 P CA -0.995 62.112 63.100 0.012 0.000 0.795 146 P CB -0.188 31.553 31.700 0.069 0.000 1.064 147 P HA 0.244 nan 4.420 nan 0.000 0.279 147 P C 0.609 178.035 177.300 0.209 0.000 1.252 147 P CA -0.320 62.882 63.100 0.171 0.000 0.811 147 P CB 0.638 32.527 31.700 0.314 0.000 1.035 148 E N 0.367 120.733 120.200 0.276 0.000 2.130 148 E HA -0.244 4.104 4.350 -0.003 0.000 0.196 148 E C 1.182 177.996 176.600 0.358 0.000 0.998 148 E CA 1.236 57.789 56.400 0.256 0.000 0.806 148 E CB -0.163 29.649 29.700 0.187 0.000 0.738 148 E HN 0.609 nan 8.360 nan 0.000 0.459 149 H N -1.368 117.803 119.070 0.168 0.000 2.529 149 H HA 0.239 4.793 4.556 -0.003 0.000 0.277 149 H C 0.135 175.639 175.328 0.293 0.000 1.004 149 H CA -0.099 56.075 56.048 0.210 0.000 1.167 149 H CB -0.475 29.330 29.762 0.071 0.000 1.445 149 H HN -0.151 nan 8.280 nan 0.000 0.554 150 V N 2.085 121.920 119.914 -0.130 0.000 2.581 150 V HA 0.359 4.477 4.120 -0.003 0.000 0.303 150 V C -0.168 175.883 176.094 -0.071 0.000 1.041 150 V CA -0.828 61.359 62.300 -0.188 0.000 0.907 150 V CB 2.099 33.766 31.823 -0.260 0.000 0.994 150 V HN 0.188 nan 8.190 nan 0.000 0.442 151 K N 3.553 123.847 120.400 -0.176 0.000 2.422 151 K HA 0.576 4.894 4.320 -0.003 0.000 0.251 151 K C -1.566 174.902 176.600 -0.220 0.000 0.933 151 K CA -0.395 55.835 56.287 -0.095 0.000 0.798 151 K CB 2.540 34.985 32.500 -0.091 0.000 1.238 151 K HN 0.426 nan 8.250 nan 0.000 0.428 152 F N 2.330 122.429 119.950 0.250 0.000 2.411 152 F HA 0.405 4.931 4.527 -0.003 0.000 0.352 152 F C 0.349 176.303 175.800 0.256 0.000 1.123 152 F CA -0.768 57.380 58.000 0.246 0.000 1.044 152 F CB 1.047 40.162 39.000 0.192 0.000 1.135 152 F HN 0.082 nan 8.300 nan 0.000 0.461 153 L N 5.769 127.233 121.223 0.400 0.000 2.297 153 L HA 0.387 4.725 4.340 -0.003 0.000 0.277 153 L C -0.986 176.094 176.870 0.350 0.000 1.040 153 L CA -0.761 54.312 54.840 0.388 0.000 0.867 153 L CB 0.603 42.860 42.059 0.330 0.000 1.244 153 L HN 0.390 nan 8.230 nan 0.000 0.433 154 L N 3.134 124.541 121.223 0.306 0.000 2.334 154 L HA 0.737 5.075 4.340 -0.003 0.000 0.277 154 L C 0.329 177.371 176.870 0.286 0.000 1.075 154 L CA 0.139 55.127 54.840 0.247 0.000 0.804 154 L CB 1.503 43.667 42.059 0.175 0.000 1.174 154 L HN 0.637 nan 8.230 nan 0.000 0.438 155 A N 1.521 124.492 122.820 0.251 0.000 2.515 155 A HA 0.879 5.197 4.320 -0.003 0.000 0.298 155 A C -0.672 177.037 177.584 0.208 0.000 1.059 155 A CA -0.478 51.720 52.037 0.268 0.000 0.698 155 A CB 2.062 21.221 19.000 0.266 0.000 1.289 155 A HN 0.545 nan 8.150 nan 0.000 0.404 156 T N -0.273 114.407 114.554 0.210 0.000 3.225 156 T HA 0.508 4.856 4.350 -0.003 0.000 0.356 156 T C 0.883 175.687 174.700 0.175 0.000 1.460 156 T CA 0.482 62.730 62.100 0.247 0.000 1.126 156 T CB 1.107 70.179 68.868 0.340 0.000 1.321 156 T HN 1.900 nan 8.240 nan 0.000 0.478 157 A N 2.845 125.761 122.820 0.159 0.000 1.892 157 A HA 0.065 4.383 4.320 -0.003 0.000 0.218 157 A C 0.686 178.282 177.584 0.020 0.000 1.188 157 A CA 2.093 54.165 52.037 0.058 0.000 0.631 157 A CB -0.461 18.559 19.000 0.032 0.000 0.822 157 A HN 0.893 nan 8.150 nan 0.000 0.447 158 D N -2.602 117.774 120.400 -0.039 0.000 2.549 158 D HA 0.409 5.047 4.640 -0.003 0.000 0.251 158 D C -2.832 173.487 176.300 0.032 0.000 1.153 158 D CA -1.945 52.041 54.000 -0.023 0.000 0.861 158 D CB 1.435 42.185 40.800 -0.083 0.000 1.207 158 D HN 0.019 nan 8.370 nan 0.000 0.543 159 P HA -0.011 nan 4.420 nan 0.000 0.227 159 P C 1.238 178.549 177.300 0.018 0.000 1.161 159 P CA 0.770 63.914 63.100 0.074 0.000 0.788 159 P CB 0.468 32.228 31.700 0.100 0.000 0.822 160 Q N -0.025 119.778 119.800 0.004 0.000 2.226 160 Q HA -0.144 4.194 4.340 -0.003 0.000 0.204 160 Q C 1.798 177.776 176.000 -0.036 0.000 0.975 160 Q CA 1.081 56.870 55.803 -0.024 0.000 0.866 160 Q CB -0.423 28.302 28.738 -0.021 0.000 0.915 160 Q HN 0.154 nan 8.270 nan 0.000 0.440 161 K N 0.631 121.024 120.400 -0.011 0.000 2.209 161 K HA -0.031 4.287 4.320 -0.003 0.000 0.204 161 K C 0.446 176.989 176.600 -0.094 0.000 1.048 161 K CA 0.576 56.868 56.287 0.009 0.000 0.940 161 K CB -0.078 32.485 32.500 0.105 0.000 0.729 161 K HN 0.123 nan 8.250 nan 0.000 0.451 162 L N 2.665 123.789 121.223 -0.165 0.000 2.410 162 L HA 0.170 4.509 4.340 -0.003 0.000 0.273 162 L C -2.014 174.613 176.870 -0.405 0.000 1.152 162 L CA -2.102 52.462 54.840 -0.460 0.000 0.855 162 L CB 0.020 41.914 42.059 -0.274 0.000 1.129 162 L HN -0.048 nan 8.230 nan 0.000 0.463 163 P HA -0.047 nan 4.420 nan 0.000 0.266 163 P C 0.949 178.113 177.300 -0.227 0.000 1.193 163 P CA -0.221 62.681 63.100 -0.330 0.000 0.770 163 P CB 0.619 32.108 31.700 -0.352 0.000 0.836 164 V N 1.560 121.384 119.914 -0.150 0.000 2.427 164 V HA -0.231 3.887 4.120 -0.003 0.000 0.248 164 V C 2.356 178.387 176.094 -0.105 0.000 1.051 164 V CA 2.521 64.752 62.300 -0.115 0.000 1.048 164 V CB -2.141 29.630 31.823 -0.086 0.000 0.666 164 V HN 0.718 nan 8.190 nan 0.000 0.456 165 T N -0.933 113.561 114.554 -0.100 0.000 2.822 165 T HA -0.199 4.149 4.350 -0.003 0.000 0.270 165 T C 1.796 176.446 174.700 -0.083 0.000 1.064 165 T CA 1.605 63.657 62.100 -0.080 0.000 1.131 165 T CB -0.382 68.446 68.868 -0.067 0.000 0.858 165 T HN 0.308 nan 8.240 nan 0.000 0.483 166 I N 1.035 121.534 120.570 -0.118 0.000 2.235 166 I HA 0.054 4.222 4.170 -0.003 0.000 0.241 166 I C 2.611 178.670 176.117 -0.097 0.000 1.085 166 I CA 0.787 62.028 61.300 -0.099 0.000 1.378 166 I CB -1.054 36.871 38.000 -0.126 0.000 1.076 166 I HN 0.295 nan 8.210 nan 0.000 0.415 167 L N 0.826 121.979 121.223 -0.115 0.000 1.971 167 L HA -0.267 4.071 4.340 -0.003 0.000 0.215 167 L C 2.763 179.566 176.870 -0.111 0.000 1.072 167 L CA 1.992 56.764 54.840 -0.112 0.000 0.758 167 L CB -0.896 41.098 42.059 -0.108 0.000 0.889 167 L HN 0.317 nan 8.230 nan 0.000 0.433 168 S N -0.044 115.601 115.700 -0.092 0.000 2.461 168 S HA -0.253 4.215 4.470 -0.003 0.000 0.246 168 S C 1.958 176.517 174.600 -0.068 0.000 1.007 168 S CA 1.460 59.614 58.200 -0.077 0.000 0.976 168 S CB -0.348 62.818 63.200 -0.058 0.000 0.763 168 S HN 0.405 nan 8.310 nan 0.000 0.508 169 R N -0.382 120.076 120.500 -0.069 0.000 2.280 169 R HA 0.262 4.600 4.340 -0.003 0.000 0.195 169 R C 0.250 176.487 176.300 -0.105 0.000 0.935 169 R CA 0.559 56.638 56.100 -0.035 0.000 1.033 169 R CB 0.193 30.493 30.300 -0.001 0.000 0.964 169 R HN 0.583 nan 8.270 nan 0.000 0.489 170 C N -0.742 118.422 119.300 -0.225 0.000 2.848 170 C HA 0.522 4.980 4.460 -0.003 0.000 0.317 170 C C 0.137 174.787 174.990 -0.567 0.000 1.260 170 C CA -1.687 57.063 59.018 -0.448 0.000 1.656 170 C CB 0.897 28.453 27.740 -0.306 0.000 2.174 170 C HN 0.112 nan 8.230 nan 0.000 0.479 171 L N 2.115 122.825 121.223 -0.855 0.000 2.410 171 L HA 0.243 4.581 4.340 -0.003 0.000 0.273 171 L C 0.141 176.639 176.870 -0.621 0.000 1.144 171 L CA 0.554 54.954 54.840 -0.733 0.000 0.863 171 L CB 0.374 41.952 42.059 -0.801 0.000 1.140 171 L HN 0.784 nan 8.230 nan 0.000 0.463 172 Q N 4.296 123.759 119.800 -0.563 0.000 2.347 172 Q HA 0.428 4.766 4.340 -0.003 0.000 0.262 172 Q C -1.365 174.344 176.000 -0.485 0.000 0.980 172 Q CA -0.433 55.130 55.803 -0.400 0.000 0.867 172 Q CB 1.260 29.879 28.738 -0.199 0.000 1.242 172 Q HN 0.332 nan 8.270 nan 0.000 0.453 173 F N 1.623 121.512 119.950 -0.102 0.000 2.361 173 F HA 0.200 4.726 4.527 -0.003 0.000 0.364 173 F C 0.110 176.002 175.800 0.154 0.000 1.120 173 F CA -0.789 57.233 58.000 0.038 0.000 1.102 173 F CB 0.788 39.804 39.000 0.026 0.000 1.183 173 F HN 0.587 nan 8.300 nan 0.000 0.476 174 H N 4.377 123.619 119.070 0.287 0.000 2.690 174 H HA 0.475 5.029 4.556 -0.003 0.000 0.289 174 H C -0.569 174.962 175.328 0.338 0.000 1.089 174 H CA -0.447 55.748 56.048 0.245 0.000 1.299 174 H CB 0.526 30.375 29.762 0.144 0.000 1.405 174 H HN 0.493 nan 8.280 nan 0.000 0.463 175 L N 4.451 125.714 121.223 0.066 0.000 2.380 175 L HA 0.275 4.613 4.340 -0.003 0.000 0.273 175 L C 0.409 177.354 176.870 0.124 0.000 1.138 175 L CA -0.453 54.470 54.840 0.139 0.000 0.832 175 L CB 0.712 42.780 42.059 0.015 0.000 1.124 175 L HN 0.524 nan 8.230 nan 0.000 0.454 176 K N 1.652 122.187 120.400 0.225 0.000 2.118 176 K HA 0.547 4.865 4.320 -0.003 0.000 0.264 176 K C 0.042 176.689 176.600 0.078 0.000 1.000 176 K CA -0.634 55.739 56.287 0.143 0.000 0.929 176 K CB 1.320 33.881 32.500 0.101 0.000 1.021 176 K HN 0.731 nan 8.250 nan 0.000 0.463 177 A N 2.440 125.296 122.820 0.061 0.000 2.425 177 A HA 0.217 4.535 4.320 -0.003 0.000 0.242 177 A C -0.127 177.474 177.584 0.029 0.000 1.077 177 A CA -0.271 51.787 52.037 0.036 0.000 0.781 177 A CB -0.045 18.976 19.000 0.035 0.000 1.020 177 A HN 0.605 nan 8.150 nan 0.000 0.494 178 L N 1.297 122.531 121.223 0.017 0.000 2.334 178 L HA 0.291 4.629 4.340 -0.003 0.000 0.277 178 L C -0.265 176.611 176.870 0.010 0.000 1.075 178 L CA -0.796 54.051 54.840 0.011 0.000 0.804 178 L CB 0.836 42.896 42.059 0.001 0.000 1.174 178 L HN 0.642 nan 8.230 nan 0.000 0.438 179 D N 0.662 121.067 120.400 0.009 0.000 2.449 179 D HA 0.001 4.639 4.640 -0.003 0.000 0.236 179 D C 1.234 177.539 176.300 0.009 0.000 1.149 179 D CA -0.101 53.904 54.000 0.010 0.000 0.878 179 D CB 1.074 41.879 40.800 0.008 0.000 1.198 179 D HN 0.259 nan 8.370 nan 0.000 0.446 180 V N 1.526 121.446 119.914 0.011 0.000 2.277 180 V HA -0.315 3.803 4.120 -0.003 0.000 0.253 180 V C 2.177 178.278 176.094 0.012 0.000 1.067 180 V CA 2.208 64.514 62.300 0.009 0.000 1.047 180 V CB -0.669 31.161 31.823 0.011 0.000 0.649 180 V HN 0.599 nan 8.190 nan 0.000 0.447 181 E N 0.410 120.620 120.200 0.017 0.000 2.051 181 E HA -0.220 4.128 4.350 -0.003 0.000 0.192 181 E C 2.236 178.860 176.600 0.041 0.000 0.991 181 E CA 1.707 58.125 56.400 0.029 0.000 0.799 181 E CB -0.406 29.312 29.700 0.030 0.000 0.748 181 E HN 0.697 nan 8.360 nan 0.000 0.449 182 Q N -0.002 119.810 119.800 0.019 0.000 2.030 182 Q HA -0.162 4.176 4.340 -0.003 0.000 0.204 182 Q C 2.441 178.449 176.000 0.014 0.000 0.986 182 Q CA 1.947 57.754 55.803 0.006 0.000 0.843 182 Q CB -0.298 28.432 28.738 -0.013 0.000 0.904 182 Q HN 0.386 nan 8.270 nan 0.000 0.420 183 I N 0.326 120.898 120.570 0.004 0.000 2.118 183 I HA -0.368 3.800 4.170 -0.003 0.000 0.241 183 I C 2.706 178.819 176.117 -0.006 0.000 1.070 183 I CA 1.388 62.684 61.300 -0.007 0.000 1.327 183 I CB -0.443 37.550 38.000 -0.011 0.000 1.034 183 I HN 0.246 nan 8.210 nan 0.000 0.405 184 R N -0.031 120.469 120.500 0.000 0.000 2.094 184 R HA -0.271 4.067 4.340 -0.003 0.000 0.239 184 R C 2.617 178.910 176.300 -0.012 0.000 1.137 184 R CA 2.000 58.090 56.100 -0.017 0.000 0.943 184 R CB -0.581 29.712 30.300 -0.010 0.000 0.850 184 R HN 0.442 nan 8.270 nan 0.000 0.433 185 H N 0.258 119.293 119.070 -0.058 0.000 2.319 185 H HA -0.204 4.350 4.556 -0.003 0.000 0.297 185 H C 2.051 177.335 175.328 -0.074 0.000 1.097 185 H CA 2.396 58.409 56.048 -0.058 0.000 1.285 185 H CB 0.029 29.759 29.762 -0.052 0.000 1.368 185 H HN 0.265 nan 8.280 nan 0.000 0.495 186 Q N 0.586 120.444 119.800 0.097 0.000 2.050 186 Q HA -0.080 4.258 4.340 -0.003 0.000 0.202 186 Q C 2.758 178.703 176.000 -0.091 0.000 0.980 186 Q CA 1.416 57.223 55.803 0.007 0.000 0.840 186 Q CB -0.454 28.263 28.738 -0.036 0.000 0.898 186 Q HN 0.488 nan 8.270 nan 0.000 0.424 187 L N 0.146 121.299 121.223 -0.117 0.000 2.187 187 L HA -0.188 4.150 4.340 -0.003 0.000 0.213 187 L C 2.403 179.110 176.870 -0.273 0.000 1.100 187 L CA 1.568 56.295 54.840 -0.188 0.000 0.765 187 L CB -0.386 41.581 42.059 -0.152 0.000 0.904 187 L HN 0.438 nan 8.230 nan 0.000 0.437 188 E N -0.713 119.336 120.200 -0.253 0.000 2.021 188 E HA -0.234 4.114 4.350 -0.003 0.000 0.189 188 E C 2.208 178.659 176.600 -0.247 0.000 0.980 188 E CA 0.640 56.837 56.400 -0.338 0.000 0.803 188 E CB -0.067 29.465 29.700 -0.280 0.000 0.766 188 E HN 0.417 nan 8.360 nan 0.000 0.449 189 H N 0.864 119.787 119.070 -0.245 0.000 2.292 189 H HA -0.194 4.360 4.556 -0.003 0.000 0.292 189 H C 2.205 177.317 175.328 -0.359 0.000 1.100 189 H CA 2.235 58.154 56.048 -0.214 0.000 1.238 189 H CB -0.148 29.541 29.762 -0.121 0.000 1.355 189 H HN 0.233 nan 8.280 nan 0.000 0.484 190 I N 0.606 120.868 120.570 -0.514 0.000 2.179 190 I HA -0.305 3.863 4.170 -0.003 0.000 0.242 190 I C 2.791 178.574 176.117 -0.557 0.000 1.088 190 I CA 0.904 61.655 61.300 -0.915 0.000 1.357 190 I CB -0.350 37.027 38.000 -1.039 0.000 1.051 190 I HN 0.252 nan 8.210 nan 0.000 0.409 191 L N 0.513 121.501 121.223 -0.392 0.000 2.083 191 L HA -0.214 4.124 4.340 -0.003 0.000 0.209 191 L C 2.356 179.109 176.870 -0.195 0.000 1.083 191 L CA 1.171 55.861 54.840 -0.250 0.000 0.752 191 L CB -0.756 41.144 42.059 -0.265 0.000 0.899 191 L HN 0.333 nan 8.230 nan 0.000 0.433 192 N N -0.036 118.519 118.700 -0.242 0.000 2.039 192 N HA -0.175 4.563 4.740 -0.003 0.000 0.193 192 N C 1.737 176.994 175.510 -0.420 0.000 1.044 192 N CA 1.161 54.063 53.050 -0.245 0.000 0.847 192 N CB -0.344 38.025 38.487 -0.197 0.000 1.030 192 N HN 0.245 nan 8.380 nan 0.000 0.422 193 E N 1.021 120.979 120.200 -0.403 0.000 2.130 193 E HA -0.169 4.179 4.350 -0.003 0.000 0.196 193 E C 1.066 177.589 176.600 -0.128 0.000 0.998 193 E CA 0.843 57.080 56.400 -0.272 0.000 0.806 193 E CB -0.105 29.520 29.700 -0.125 0.000 0.738 193 E HN 0.452 nan 8.360 nan 0.000 0.459 194 E N 0.208 120.367 120.200 -0.070 0.000 2.476 194 E HA -0.045 4.303 4.350 -0.003 0.000 0.191 194 E C -0.536 176.126 176.600 0.104 0.000 1.064 194 E CA -0.105 56.350 56.400 0.092 0.000 0.866 194 E CB -0.066 29.696 29.700 0.104 0.000 0.952 194 E HN 0.325 nan 8.360 nan 0.000 0.492 195 H N -0.092 118.995 119.070 0.030 0.000 2.673 195 H HA -0.188 4.366 4.556 -0.003 0.000 0.318 195 H C -0.208 175.137 175.328 0.029 0.000 0.998 195 H CA 0.736 56.800 56.048 0.026 0.000 1.045 195 H CB -1.658 28.118 29.762 0.024 0.000 1.623 195 H HN 0.207 nan 8.280 nan 0.000 0.359 196 I N 0.818 121.442 120.570 0.090 0.000 2.529 196 I HA 0.298 4.466 4.170 -0.003 0.000 0.284 196 I C 0.709 176.893 176.117 0.112 0.000 1.088 196 I CA -0.644 60.706 61.300 0.083 0.000 1.062 196 I CB 1.753 39.784 38.000 0.052 0.000 1.218 196 I HN 0.470 nan 8.210 nan 0.000 0.442 197 A N 5.718 128.579 122.820 0.069 0.000 2.587 197 A HA 0.199 4.517 4.320 -0.003 0.000 0.235 197 A C -0.265 177.358 177.584 0.065 0.000 1.044 197 A CA 0.914 52.960 52.037 0.016 0.000 0.754 197 A CB -0.432 18.565 19.000 -0.005 0.000 0.968 197 A HN 0.922 nan 8.150 nan 0.000 0.509 198 H N -0.856 118.197 119.070 -0.028 0.000 3.046 198 H HA 0.685 5.239 4.556 -0.003 0.000 0.363 198 H C -1.114 174.195 175.328 -0.031 0.000 1.203 198 H CA -0.855 55.173 56.048 -0.033 0.000 1.169 198 H CB 0.723 30.457 29.762 -0.047 0.000 1.851 198 H HN 0.548 nan 8.280 nan 0.000 0.546 199 E N 3.411 123.644 120.200 0.053 0.000 2.227 199 E HA 0.125 4.473 4.350 -0.003 0.000 0.282 199 E C -1.583 175.086 176.600 0.115 0.000 1.015 199 E CA -2.187 54.225 56.400 0.021 0.000 0.823 199 E CB 1.412 31.118 29.700 0.009 0.000 1.081 199 E HN 0.571 nan 8.360 nan 0.000 0.396 200 P HA -0.234 nan 4.420 nan 0.000 0.218 200 P C 1.171 178.503 177.300 0.053 0.000 1.148 200 P CA 1.274 64.435 63.100 0.102 0.000 0.822 200 P CB 0.337 32.062 31.700 0.042 0.000 0.784 201 R N 0.289 120.808 120.500 0.032 0.000 2.090 201 R HA 0.041 4.379 4.340 -0.003 0.000 0.228 201 R C 2.416 178.725 176.300 0.014 0.000 1.110 201 R CA 1.248 57.358 56.100 0.016 0.000 0.973 201 R CB -0.890 29.415 30.300 0.009 0.000 0.869 201 R HN 0.010 nan 8.270 nan 0.000 0.440 202 A N 1.182 124.015 122.820 0.022 0.000 1.986 202 A HA -0.163 4.155 4.320 -0.003 0.000 0.220 202 A C 2.092 179.675 177.584 -0.001 0.000 1.171 202 A CA 1.364 53.409 52.037 0.013 0.000 0.640 202 A CB -0.534 18.481 19.000 0.025 0.000 0.811 202 A HN 0.364 nan 8.150 nan 0.000 0.451 203 L N -1.754 119.468 121.223 -0.003 0.000 2.044 203 L HA -0.184 4.154 4.340 -0.003 0.000 0.205 203 L C 2.814 179.668 176.870 -0.028 0.000 1.075 203 L CA 1.488 56.304 54.840 -0.039 0.000 0.747 203 L CB -0.751 41.261 42.059 -0.078 0.000 0.903 203 L HN 0.438 nan 8.230 nan 0.000 0.435 204 Q N 0.040 119.832 119.800 -0.012 0.000 2.181 204 Q HA -0.201 4.137 4.340 -0.003 0.000 0.205 204 Q C 2.340 178.337 176.000 -0.005 0.000 0.980 204 Q CA 1.403 57.202 55.803 -0.007 0.000 0.862 204 Q CB -0.033 28.706 28.738 0.000 0.000 0.905 204 Q HN 0.488 nan 8.270 nan 0.000 0.429 205 L N -0.405 120.815 121.223 -0.005 0.000 2.131 205 L HA -0.139 4.199 4.340 -0.003 0.000 0.206 205 L C 2.032 178.898 176.870 -0.007 0.000 1.087 205 L CA 0.613 55.451 54.840 -0.003 0.000 0.767 205 L CB -0.105 41.952 42.059 -0.003 0.000 0.917 205 L HN 0.282 nan 8.230 nan 0.000 0.441 206 L N -0.650 120.565 121.223 -0.014 0.000 2.044 206 L HA -0.131 4.207 4.340 -0.003 0.000 0.205 206 L C 2.812 179.672 176.870 -0.017 0.000 1.075 206 L CA 1.084 55.913 54.840 -0.018 0.000 0.747 206 L CB -0.669 41.373 42.059 -0.029 0.000 0.903 206 L HN 0.195 nan 8.230 nan 0.000 0.435 207 A N -0.124 122.684 122.820 -0.020 0.000 2.032 207 A HA -0.221 4.097 4.320 -0.003 0.000 0.221 207 A C 2.376 179.956 177.584 -0.006 0.000 1.165 207 A CA 1.620 53.647 52.037 -0.015 0.000 0.645 207 A CB -0.453 18.538 19.000 -0.014 0.000 0.807 207 A HN 0.361 nan 8.150 nan 0.000 0.453 208 R N -1.275 119.223 120.500 -0.003 0.000 2.075 208 R HA 0.130 4.468 4.340 -0.003 0.000 0.220 208 R C 2.466 178.768 176.300 0.002 0.000 1.118 208 R CA 0.898 57.001 56.100 0.003 0.000 0.986 208 R CB -0.422 29.883 30.300 0.008 0.000 0.884 208 R HN 0.454 nan 8.270 nan 0.000 0.439 209 A N 1.409 124.229 122.820 -0.001 0.000 2.131 209 A HA -0.101 4.217 4.320 -0.003 0.000 0.220 209 A C 2.189 179.772 177.584 -0.002 0.000 1.158 209 A CA 1.596 53.632 52.037 -0.001 0.000 0.665 209 A CB -0.404 18.594 19.000 -0.004 0.000 0.795 209 A HN 0.385 nan 8.150 nan 0.000 0.460 210 A N -0.796 122.022 122.820 -0.003 0.000 2.119 210 A HA 0.089 4.407 4.320 -0.003 0.000 0.217 210 A C 0.824 178.409 177.584 0.001 0.000 1.153 210 A CA 0.889 52.924 52.037 -0.003 0.000 0.692 210 A CB -0.443 18.553 19.000 -0.007 0.000 0.799 210 A HN 0.616 nan 8.150 nan 0.000 0.458 211 E N -2.318 117.884 120.200 0.003 0.000 2.228 211 E HA -0.255 4.093 4.350 -0.003 0.000 0.213 211 E C 0.936 177.541 176.600 0.008 0.000 1.282 211 E CA 0.342 56.745 56.400 0.006 0.000 0.707 211 E CB -1.870 27.834 29.700 0.006 0.000 1.150 211 E HN 1.367 nan 8.360 nan 0.000 0.362 212 G N -0.397 108.408 108.800 0.008 0.000 2.268 212 G HA2 -0.357 3.601 3.960 -0.003 0.000 0.240 212 G HA3 -0.357 3.601 3.960 -0.003 0.000 0.240 212 G C 0.305 175.209 174.900 0.007 0.000 1.010 212 G CA 0.216 45.322 45.100 0.010 0.000 0.618 212 G HN 0.668 nan 8.290 nan 0.000 0.516 213 S N 0.578 116.280 115.700 0.004 0.000 2.452 213 S HA 0.556 5.024 4.470 -0.003 0.000 0.284 213 S C 1.330 175.929 174.600 -0.003 0.000 1.171 213 S CA -0.133 58.068 58.200 0.001 0.000 1.064 213 S CB 1.071 64.273 63.200 0.004 0.000 0.967 213 S HN 0.719 nan 8.310 nan 0.000 0.484 214 L N 6.159 127.378 121.223 -0.006 0.000 2.217 214 L HA 0.159 4.497 4.340 -0.003 0.000 0.211 214 L C 2.366 179.233 176.870 -0.005 0.000 1.107 214 L CA 1.578 56.412 54.840 -0.010 0.000 0.783 214 L CB -0.861 41.190 42.059 -0.013 0.000 0.919 214 L HN 0.803 nan 8.230 nan 0.000 0.442 215 R N -0.606 119.895 120.500 0.001 0.000 2.062 215 R HA -0.148 4.190 4.340 -0.003 0.000 0.231 215 R C 1.798 178.100 176.300 0.004 0.000 1.136 215 R CA 1.624 57.728 56.100 0.007 0.000 0.948 215 R CB -0.220 30.087 30.300 0.011 0.000 0.845 215 R HN 0.279 nan 8.270 nan 0.000 0.430 216 D N 0.581 120.982 120.400 0.003 0.000 2.172 216 D HA -0.197 4.441 4.640 -0.003 0.000 0.196 216 D C 1.663 177.961 176.300 -0.004 0.000 0.999 216 D CA 1.596 55.597 54.000 0.002 0.000 0.856 216 D CB -0.248 40.553 40.800 0.002 0.000 0.934 216 D HN 0.421 nan 8.370 nan 0.000 0.453 217 A N 0.372 123.187 122.820 -0.009 0.000 1.845 217 A HA -0.136 4.182 4.320 -0.003 0.000 0.215 217 A C 2.398 179.968 177.584 -0.023 0.000 1.195 217 A CA 1.082 53.108 52.037 -0.019 0.000 0.616 217 A CB -0.848 18.137 19.000 -0.025 0.000 0.832 217 A HN 0.228 nan 8.150 nan 0.000 0.443 218 L N -0.599 120.613 121.223 -0.019 0.000 2.046 218 L HA -0.155 4.183 4.340 -0.003 0.000 0.208 218 L C 2.867 179.734 176.870 -0.004 0.000 1.077 218 L CA 1.447 56.277 54.840 -0.017 0.000 0.747 218 L CB -0.536 41.524 42.059 0.002 0.000 0.896 218 L HN 0.324 nan 8.230 nan 0.000 0.432 219 S N 0.010 115.712 115.700 0.004 0.000 2.387 219 S HA -0.162 4.307 4.470 -0.003 0.000 0.230 219 S C 1.961 176.561 174.600 0.001 0.000 1.035 219 S CA 1.261 59.465 58.200 0.007 0.000 1.014 219 S CB -0.243 62.962 63.200 0.009 0.000 0.836 219 S HN 0.279 nan 8.310 nan 0.000 0.466 220 L N 0.721 121.941 121.223 -0.006 0.000 2.044 220 L HA -0.097 4.241 4.340 -0.003 0.000 0.205 220 L C 2.648 179.510 176.870 -0.013 0.000 1.075 220 L CA 1.240 56.075 54.840 -0.009 0.000 0.747 220 L CB -1.103 40.950 42.059 -0.011 0.000 0.903 220 L HN 0.324 nan 8.230 nan 0.000 0.435 221 T N -1.180 113.361 114.554 -0.022 0.000 2.665 221 T HA -0.244 4.104 4.350 -0.003 0.000 0.268 221 T C 1.505 176.196 174.700 -0.015 0.000 1.035 221 T CA 1.586 63.668 62.100 -0.029 0.000 1.151 221 T CB -0.345 68.492 68.868 -0.052 0.000 0.862 221 T HN 0.282 nan 8.240 nan 0.000 0.438 222 D N 1.443 121.839 120.400 -0.006 0.000 2.116 222 D HA -0.141 4.498 4.640 -0.003 0.000 0.193 222 D C 2.362 178.666 176.300 0.006 0.000 0.998 222 D CA 1.565 55.569 54.000 0.007 0.000 0.836 222 D CB -0.285 40.525 40.800 0.017 0.000 0.951 222 D HN 0.718 nan 8.370 nan 0.000 0.449 223 Q N -0.287 119.515 119.800 0.003 0.000 2.432 223 Q HA 0.197 4.535 4.340 -0.003 0.000 0.205 223 Q C 1.804 177.804 176.000 -0.000 0.000 0.945 223 Q CA 0.955 56.760 55.803 0.003 0.000 0.924 223 Q CB 0.159 28.898 28.738 0.002 0.000 1.016 223 Q HN 0.105 nan 8.270 nan 0.000 0.503 224 A N 1.813 124.631 122.820 -0.003 0.000 1.855 224 A HA -0.090 4.228 4.320 -0.003 0.000 0.215 224 A C 2.100 179.685 177.584 0.001 0.000 1.191 224 A CA 1.271 53.306 52.037 -0.003 0.000 0.613 224 A CB -0.673 18.322 19.000 -0.008 0.000 0.829 224 A HN 0.440 nan 8.150 nan 0.000 0.442 225 I N -0.090 120.482 120.570 0.003 0.000 2.248 225 I HA -0.328 3.840 4.170 -0.003 0.000 0.248 225 I C 2.843 178.966 176.117 0.010 0.000 1.107 225 I CA 1.193 62.498 61.300 0.009 0.000 1.373 225 I CB -0.323 37.684 38.000 0.012 0.000 1.055 225 I HN 0.387 nan 8.210 nan 0.000 0.418 226 A N -0.689 122.136 122.820 0.008 0.000 1.930 226 A HA -0.124 4.194 4.320 -0.003 0.000 0.215 226 A C 2.468 180.054 177.584 0.005 0.000 1.176 226 A CA 1.632 53.674 52.037 0.008 0.000 0.632 226 A CB -0.480 18.525 19.000 0.008 0.000 0.819 226 A HN 0.308 nan 8.150 nan 0.000 0.445 227 S N -0.845 114.856 115.700 0.002 0.000 2.406 227 S HA 0.033 4.501 4.470 -0.003 0.000 0.228 227 S C 1.719 176.319 174.600 -0.000 0.000 1.020 227 S CA 1.060 59.260 58.200 -0.000 0.000 0.965 227 S CB -0.212 62.986 63.200 -0.003 0.000 0.798 227 S HN 0.694 nan 8.310 nan 0.000 0.488 228 G N 0.034 108.835 108.800 0.002 0.000 3.141 228 G HA2 0.133 4.091 3.960 -0.003 0.000 0.218 228 G HA3 0.133 4.091 3.960 -0.003 0.000 0.218 228 G C -0.279 174.623 174.900 0.005 0.000 1.170 228 G CA 0.034 45.135 45.100 0.002 0.000 0.769 228 G HN 0.400 nan 8.290 nan 0.000 0.546 229 D N -0.447 119.957 120.400 0.005 0.000 3.133 229 D HA -0.105 4.533 4.640 -0.003 0.000 0.239 229 D C 1.516 177.823 176.300 0.010 0.000 1.136 229 D CA 1.530 55.534 54.000 0.007 0.000 0.898 229 D CB -1.284 39.519 40.800 0.004 0.000 0.959 229 D HN 0.998 nan 8.370 nan 0.000 0.415 230 G N 1.615 110.424 108.800 0.014 0.000 2.212 230 G HA2 -0.336 3.622 3.960 -0.003 0.000 0.266 230 G HA3 -0.336 3.622 3.960 -0.003 0.000 0.266 230 G C 0.268 175.182 174.900 0.024 0.000 0.978 230 G CA 0.800 45.912 45.100 0.020 0.000 0.632 230 G HN 0.610 nan 8.290 nan 0.000 0.537 231 Q N -0.505 119.307 119.800 0.020 0.000 2.353 231 Q HA 0.561 4.899 4.340 -0.003 0.000 0.268 231 Q C -0.589 175.426 176.000 0.026 0.000 1.045 231 Q CA -0.805 55.012 55.803 0.023 0.000 0.811 231 Q CB 2.893 31.638 28.738 0.012 0.000 1.305 231 Q HN 0.125 nan 8.270 nan 0.000 0.447 232 V N 2.965 122.905 119.914 0.044 0.000 2.299 232 V HA 0.170 4.288 4.120 -0.003 0.000 0.255 232 V C -0.074 176.047 176.094 0.045 0.000 1.100 232 V CA -0.163 62.161 62.300 0.040 0.000 0.938 232 V CB 0.097 31.944 31.823 0.041 0.000 1.139 232 V HN 0.752 nan 8.190 nan 0.000 0.490 233 S N 2.077 117.790 115.700 0.022 0.000 2.578 233 S HA 0.382 4.850 4.470 -0.003 0.000 0.301 233 S C 1.034 175.639 174.600 0.008 0.000 1.091 233 S CA -0.434 57.775 58.200 0.014 0.000 1.032 233 S CB 1.732 64.934 63.200 0.003 0.000 1.064 233 S HN 0.483 nan 8.310 nan 0.000 0.508 234 T N 1.981 116.538 114.554 0.006 0.000 2.759 234 T HA -0.132 4.216 4.350 -0.003 0.000 0.269 234 T C 1.855 176.552 174.700 -0.004 0.000 1.042 234 T CA 1.468 63.569 62.100 0.002 0.000 1.140 234 T CB -0.329 68.540 68.868 0.000 0.000 0.864 234 T HN 0.585 nan 8.240 nan 0.000 0.455 235 Q N 0.981 120.778 119.800 -0.006 0.000 2.061 235 Q HA -0.057 4.281 4.340 -0.003 0.000 0.204 235 Q C 2.800 178.794 176.000 -0.011 0.000 0.984 235 Q CA 1.703 57.500 55.803 -0.010 0.000 0.846 235 Q CB -0.889 27.842 28.738 -0.011 0.000 0.902 235 Q HN 0.593 nan 8.270 nan 0.000 0.421 236 A N 0.698 123.514 122.820 -0.007 0.000 1.859 236 A HA -0.175 4.143 4.320 -0.003 0.000 0.217 236 A C 2.508 180.087 177.584 -0.008 0.000 1.198 236 A CA 2.078 54.112 52.037 -0.007 0.000 0.629 236 A CB -0.960 18.039 19.000 -0.002 0.000 0.830 236 A HN 0.210 nan 8.150 nan 0.000 0.446 237 V N 0.928 120.838 119.914 -0.006 0.000 2.261 237 V HA -0.269 3.849 4.120 -0.003 0.000 0.246 237 V C 2.958 179.045 176.094 -0.010 0.000 1.047 237 V CA 2.571 64.867 62.300 -0.007 0.000 1.015 237 V CB -1.140 30.680 31.823 -0.005 0.000 0.642 237 V HN 0.764 nan 8.190 nan 0.000 0.446 238 S N 1.011 116.704 115.700 -0.011 0.000 2.382 238 S HA -0.144 4.324 4.470 -0.003 0.000 0.228 238 S C 2.151 176.738 174.600 -0.021 0.000 1.027 238 S CA 1.176 59.367 58.200 -0.015 0.000 0.991 238 S CB -0.739 62.452 63.200 -0.015 0.000 0.823 238 S HN 0.617 nan 8.310 nan 0.000 0.469 239 A N 3.405 126.212 122.820 -0.021 0.000 1.870 239 A HA -0.239 4.079 4.320 -0.003 0.000 0.219 239 A C 2.352 179.922 177.584 -0.023 0.000 1.224 239 A CA 2.423 54.445 52.037 -0.025 0.000 0.650 239 A CB -1.091 17.896 19.000 -0.021 0.000 0.836 239 A HN 0.703 nan 8.150 nan 0.000 0.454 240 M N -1.050 118.539 119.600 -0.018 0.000 2.279 240 M HA -0.010 4.468 4.480 -0.003 0.000 0.264 240 M C 1.355 177.646 176.300 -0.015 0.000 1.062 240 M CA 1.747 57.038 55.300 -0.015 0.000 1.099 240 M CB -0.218 32.376 32.600 -0.011 0.000 1.394 240 M HN 0.360 nan 8.290 nan 0.000 0.426 241 L N -0.328 120.886 121.223 -0.016 0.000 2.513 241 L HA 0.286 4.624 4.340 -0.003 0.000 0.222 241 L C 1.567 178.427 176.870 -0.017 0.000 1.096 241 L CA 0.585 55.417 54.840 -0.014 0.000 0.857 241 L CB -0.121 41.932 42.059 -0.011 0.000 1.026 241 L HN 0.705 nan 8.230 nan 0.000 0.469 242 G N 0.282 109.067 108.800 -0.024 0.000 2.176 242 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.253 242 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.253 242 G C 0.388 175.269 174.900 -0.032 0.000 0.979 242 G CA 0.365 45.446 45.100 -0.032 0.000 0.641 242 G HN 0.280 nan 8.290 nan 0.000 0.530 243 T N 1.803 116.343 114.554 -0.023 0.000 2.926 243 T HA 0.489 4.838 4.350 -0.003 0.000 0.307 243 T C 0.465 175.147 174.700 -0.029 0.000 1.059 243 T CA 0.500 62.588 62.100 -0.020 0.000 1.122 243 T CB 1.067 69.928 68.868 -0.012 0.000 0.972 243 T HN 0.649 nan 8.240 nan 0.000 0.545 244 L N 1.251 122.456 121.223 -0.030 0.000 2.334 244 L HA 0.606 4.944 4.340 -0.003 0.000 0.272 244 L C 0.050 176.907 176.870 -0.021 0.000 1.020 244 L CA -1.162 53.658 54.840 -0.034 0.000 0.812 244 L CB 0.107 42.138 42.059 -0.048 0.000 1.264 244 L HN 0.309 nan 8.230 nan 0.000 0.439 245 D N 0.851 121.239 120.400 -0.020 0.000 2.401 245 D HA 0.038 4.676 4.640 -0.003 0.000 0.254 245 D C 0.738 177.033 176.300 -0.009 0.000 1.192 245 D CA 0.254 54.247 54.000 -0.012 0.000 0.885 245 D CB 0.816 41.609 40.800 -0.011 0.000 1.147 245 D HN 0.548 nan 8.370 nan 0.000 0.478 246 D N 1.858 122.256 120.400 -0.004 0.000 2.322 246 D HA -0.197 4.441 4.640 -0.003 0.000 0.210 246 D C 1.337 177.638 176.300 0.001 0.000 0.983 246 D CA 0.794 54.794 54.000 0.001 0.000 0.902 246 D CB 0.162 40.965 40.800 0.006 0.000 0.905 246 D HN 0.584 nan 8.370 nan 0.000 0.483 247 D N -0.080 120.319 120.400 -0.001 0.000 2.097 247 D HA -0.196 4.442 4.640 -0.003 0.000 0.195 247 D C 1.976 178.276 176.300 -0.001 0.000 0.989 247 D CA 1.331 55.330 54.000 -0.001 0.000 0.827 247 D CB -0.026 40.772 40.800 -0.002 0.000 0.966 247 D HN 0.138 nan 8.370 nan 0.000 0.456 248 Q N -0.227 119.571 119.800 -0.004 0.000 2.226 248 Q HA -0.130 4.208 4.340 -0.003 0.000 0.204 248 Q C 1.800 177.802 176.000 0.003 0.000 0.975 248 Q CA 1.633 57.434 55.803 -0.003 0.000 0.866 248 Q CB -0.204 28.527 28.738 -0.011 0.000 0.915 248 Q HN 0.330 nan 8.270 nan 0.000 0.440 249 A N 0.602 123.424 122.820 0.004 0.000 1.854 249 A HA -0.109 4.209 4.320 -0.003 0.000 0.214 249 A C 1.977 179.568 177.584 0.013 0.000 1.192 249 A CA 1.213 53.257 52.037 0.012 0.000 0.611 249 A CB -0.878 18.131 19.000 0.014 0.000 0.832 249 A HN 0.486 nan 8.150 nan 0.000 0.442 250 L N 0.370 121.599 121.223 0.010 0.000 1.989 250 L HA -0.143 4.195 4.340 -0.003 0.000 0.211 250 L C 2.450 179.319 176.870 -0.002 0.000 1.071 250 L CA 2.685 57.529 54.840 0.007 0.000 0.749 250 L CB -1.028 41.035 42.059 0.007 0.000 0.890 250 L HN 0.306 nan 8.230 nan 0.000 0.431 251 S N -0.619 115.081 115.700 -0.001 0.000 2.402 251 S HA -0.167 4.301 4.470 -0.003 0.000 0.233 251 S C 1.757 176.351 174.600 -0.010 0.000 1.030 251 S CA 1.481 59.679 58.200 -0.005 0.000 1.003 251 S CB -0.463 62.736 63.200 -0.001 0.000 0.813 251 S HN 0.413 nan 8.310 nan 0.000 0.477 252 L N 1.264 122.484 121.223 -0.005 0.000 2.270 252 L HA 0.132 4.470 4.340 -0.003 0.000 0.210 252 L C 2.022 178.871 176.870 -0.033 0.000 1.104 252 L CA 1.098 55.933 54.840 -0.008 0.000 0.804 252 L CB -0.702 41.367 42.059 0.017 0.000 0.937 252 L HN 0.104 nan 8.230 nan 0.000 0.450 253 V N -0.123 119.771 119.914 -0.033 0.000 2.237 253 V HA -0.291 3.827 4.120 -0.003 0.000 0.245 253 V C 2.405 178.439 176.094 -0.101 0.000 1.046 253 V CA 1.966 64.225 62.300 -0.068 0.000 1.007 253 V CB -0.697 31.104 31.823 -0.036 0.000 0.638 253 V HN 0.440 nan 8.190 nan 0.000 0.445 254 E N 0.679 120.843 120.200 -0.059 0.000 2.086 254 E HA -0.326 4.022 4.350 -0.003 0.000 0.205 254 E C 2.285 178.846 176.600 -0.066 0.000 1.027 254 E CA 1.648 58.017 56.400 -0.051 0.000 0.830 254 E CB -0.488 29.198 29.700 -0.024 0.000 0.751 254 E HN 0.590 nan 8.360 nan 0.000 0.456 255 A N 1.228 124.013 122.820 -0.058 0.000 2.032 255 A HA -0.231 4.087 4.320 -0.003 0.000 0.221 255 A C 2.099 179.620 177.584 -0.105 0.000 1.165 255 A CA 1.788 53.788 52.037 -0.062 0.000 0.645 255 A CB -0.543 18.432 19.000 -0.043 0.000 0.807 255 A HN 0.335 nan 8.150 nan 0.000 0.453 256 M N 0.222 119.735 119.600 -0.145 0.000 2.160 256 M HA -0.084 4.394 4.480 -0.003 0.000 0.264 256 M C 2.116 178.233 176.300 -0.305 0.000 1.073 256 M CA 2.149 57.316 55.300 -0.222 0.000 1.142 256 M CB -0.260 32.195 32.600 -0.242 0.000 1.358 256 M HN 0.394 nan 8.290 nan 0.000 0.422 257 V N -1.102 118.636 119.914 -0.294 0.000 2.490 257 V HA -0.175 3.943 4.120 -0.003 0.000 0.250 257 V C 1.298 177.446 176.094 0.090 0.000 1.061 257 V CA 2.031 64.269 62.300 -0.104 0.000 1.064 257 V CB -1.209 30.570 31.823 -0.072 0.000 0.670 257 V HN 0.577 nan 8.190 nan 0.000 0.461 258 E N 0.595 120.779 120.200 -0.026 0.000 2.494 258 E HA 0.423 4.771 4.350 -0.003 0.000 0.193 258 E C 1.571 178.141 176.600 -0.049 0.000 1.074 258 E CA 0.486 56.892 56.400 0.009 0.000 0.867 258 E CB -0.027 29.669 29.700 -0.006 0.000 0.924 258 E HN 0.841 nan 8.360 nan 0.000 0.502 259 A N 2.083 124.755 122.820 -0.247 0.000 3.408 259 A HA -0.291 4.027 4.320 -0.003 0.000 0.269 259 A C 0.630 178.119 177.584 -0.158 0.000 1.124 259 A CA 1.293 53.107 52.037 -0.372 0.000 0.999 259 A CB -2.285 16.570 19.000 -0.240 0.000 1.067 259 A HN 0.504 nan 8.150 nan 0.000 0.815 260 N N 0.755 119.395 118.700 -0.099 0.000 2.402 260 N HA 0.443 5.181 4.740 -0.003 0.000 0.252 260 N C 1.082 176.558 175.510 -0.057 0.000 1.118 260 N CA 0.836 53.852 53.050 -0.057 0.000 0.945 260 N CB 0.539 39.007 38.487 -0.031 0.000 1.147 260 N HN 0.452 nan 8.380 nan 0.000 0.495 261 G N 2.826 111.597 108.800 -0.049 0.000 2.484 261 G HA2 -0.251 3.707 3.960 -0.003 0.000 0.215 261 G HA3 -0.251 3.707 3.960 -0.003 0.000 0.215 261 G C 0.995 175.880 174.900 -0.025 0.000 1.219 261 G CA 0.439 45.516 45.100 -0.038 0.000 0.791 261 G HN 0.701 nan 8.290 nan 0.000 0.550 262 E N -0.213 119.976 120.200 -0.018 0.000 2.149 262 E HA -0.325 4.023 4.350 -0.003 0.000 0.215 262 E C 2.509 179.103 176.600 -0.009 0.000 1.055 262 E CA 1.630 58.023 56.400 -0.011 0.000 0.870 262 E CB -0.171 29.524 29.700 -0.009 0.000 0.764 262 E HN 0.396 nan 8.360 nan 0.000 0.463 263 R N 0.402 120.895 120.500 -0.012 0.000 2.092 263 R HA -0.120 4.218 4.340 -0.003 0.000 0.231 263 R C 2.325 178.621 176.300 -0.007 0.000 1.119 263 R CA 1.044 57.139 56.100 -0.009 0.000 0.970 263 R CB -0.029 30.263 30.300 -0.013 0.000 0.864 263 R HN 0.019 nan 8.270 nan 0.000 0.440 264 V N 0.925 120.829 119.914 -0.017 0.000 2.233 264 V HA -0.313 3.805 4.120 -0.003 0.000 0.247 264 V C 2.457 178.553 176.094 0.004 0.000 1.050 264 V CA 1.722 64.014 62.300 -0.013 0.000 1.010 264 V CB -0.410 31.396 31.823 -0.029 0.000 0.637 264 V HN 0.340 nan 8.190 nan 0.000 0.444 265 M N -0.118 119.481 119.600 -0.001 0.000 2.086 265 M HA -0.123 4.355 4.480 -0.003 0.000 0.261 265 M C 2.396 178.709 176.300 0.021 0.000 1.067 265 M CA 2.172 57.475 55.300 0.005 0.000 1.116 265 M CB -1.799 30.799 32.600 -0.004 0.000 1.348 265 M HN 0.398 nan 8.290 nan 0.000 0.407 266 A N 0.334 123.164 122.820 0.016 0.000 1.859 266 A HA -0.220 4.098 4.320 -0.003 0.000 0.218 266 A C 2.321 179.927 177.584 0.036 0.000 1.209 266 A CA 1.936 53.987 52.037 0.023 0.000 0.639 266 A CB -1.302 17.706 19.000 0.013 0.000 0.835 266 A HN 0.494 nan 8.150 nan 0.000 0.450 267 L N -0.706 120.535 121.223 0.031 0.000 2.270 267 L HA -0.223 4.115 4.340 -0.003 0.000 0.217 267 L C 2.353 179.270 176.870 0.078 0.000 1.107 267 L CA 1.044 55.909 54.840 0.041 0.000 0.772 267 L CB -0.350 41.725 42.059 0.028 0.000 0.902 267 L HN 0.476 nan 8.230 nan 0.000 0.439 268 I N -1.141 119.489 120.570 0.100 0.000 2.339 268 I HA -0.211 3.957 4.170 -0.003 0.000 0.245 268 I C 2.213 178.464 176.117 0.224 0.000 1.096 268 I CA 0.607 62.021 61.300 0.189 0.000 1.408 268 I CB -0.285 37.790 38.000 0.124 0.000 1.092 268 I HN 0.273 nan 8.210 nan 0.000 0.423 269 N N 1.277 120.055 118.700 0.130 0.000 2.094 269 N HA -0.280 4.458 4.740 -0.003 0.000 0.191 269 N C 1.754 177.324 175.510 0.102 0.000 1.023 269 N CA 1.690 54.809 53.050 0.115 0.000 0.857 269 N CB -0.108 38.417 38.487 0.064 0.000 1.013 269 N HN 0.403 nan 8.380 nan 0.000 0.426 270 E N -0.323 119.921 120.200 0.074 0.000 2.106 270 E HA -0.080 4.268 4.350 -0.003 0.000 0.192 270 E C 1.719 178.335 176.600 0.027 0.000 0.984 270 E CA 0.947 57.372 56.400 0.042 0.000 0.806 270 E CB -0.171 29.544 29.700 0.026 0.000 0.750 270 E HN 0.356 nan 8.360 nan 0.000 0.458 271 A N 1.044 123.893 122.820 0.047 0.000 2.024 271 A HA -0.106 4.212 4.320 -0.003 0.000 0.220 271 A C 2.295 179.811 177.584 -0.113 0.000 1.164 271 A CA 1.772 53.784 52.037 -0.041 0.000 0.643 271 A CB -0.558 18.441 19.000 -0.001 0.000 0.806 271 A HN 0.436 nan 8.150 nan 0.000 0.451 272 A N -0.614 122.246 122.820 0.068 0.000 1.935 272 A HA 0.401 4.719 4.320 -0.003 0.000 0.214 272 A C 2.417 180.033 177.584 0.052 0.000 1.178 272 A CA 1.358 53.479 52.037 0.140 0.000 0.640 272 A CB -0.805 18.407 19.000 0.353 0.000 0.825 272 A HN 0.952 nan 8.150 nan 0.000 0.447 273 A N 0.245 123.087 122.820 0.037 0.000 1.969 273 A HA -0.126 4.193 4.320 -0.003 0.000 0.218 273 A C 2.147 179.718 177.584 -0.022 0.000 1.169 273 A CA 1.375 53.420 52.037 0.013 0.000 0.635 273 A CB -0.411 18.599 19.000 0.015 0.000 0.810 273 A HN 0.533 nan 8.150 nan 0.000 0.445 274 R N -1.552 118.918 120.500 -0.050 0.000 2.189 274 R HA 0.113 4.451 4.340 -0.003 0.000 0.218 274 R C 1.535 177.770 176.300 -0.109 0.000 1.074 274 R CA 0.643 56.698 56.100 -0.075 0.000 0.991 274 R CB -0.223 30.024 30.300 -0.088 0.000 0.883 274 R HN 0.705 nan 8.270 nan 0.000 0.457 275 G N 1.841 110.555 108.800 -0.144 0.000 2.179 275 G HA2 -0.305 3.653 3.960 -0.003 0.000 0.260 275 G HA3 -0.305 3.653 3.960 -0.003 0.000 0.260 275 G C 0.448 175.157 174.900 -0.318 0.000 0.977 275 G CA 0.211 45.205 45.100 -0.176 0.000 0.641 275 G HN 0.494 nan 8.290 nan 0.000 0.533 276 I N -0.515 119.835 120.570 -0.366 0.000 3.115 276 I HA 0.272 4.440 4.170 -0.003 0.000 0.315 276 I C 0.394 176.153 176.117 -0.597 0.000 1.211 276 I CA 0.339 61.394 61.300 -0.408 0.000 1.453 276 I CB 0.417 38.192 38.000 -0.375 0.000 1.307 276 I HN 0.301 nan 8.210 nan 0.000 0.568 277 E N 5.011 124.983 120.200 -0.381 0.000 2.290 277 E HA 0.051 4.399 4.350 -0.003 0.000 0.277 277 E C -0.188 176.242 176.600 -0.284 0.000 1.035 277 E CA 0.039 56.245 56.400 -0.323 0.000 0.873 277 E CB 0.532 30.148 29.700 -0.140 0.000 1.029 277 E HN 0.699 nan 8.360 nan 0.000 0.419 278 W N 2.373 123.666 121.300 -0.012 0.000 2.335 278 W HA -0.220 4.438 4.660 -0.003 0.000 0.311 278 W C 2.211 178.721 176.519 -0.015 0.000 1.213 278 W CA 1.058 58.395 57.345 -0.012 0.000 1.274 278 W CB 0.001 29.454 29.460 -0.013 0.000 1.148 278 W HN 0.674 nan 8.180 nan 0.000 0.498 279 E N 0.541 120.847 120.200 0.178 0.000 2.153 279 E HA -0.212 4.136 4.350 -0.003 0.000 0.194 279 E C 2.236 178.870 176.600 0.057 0.000 0.988 279 E CA 1.315 57.774 56.400 0.097 0.000 0.811 279 E CB -0.258 29.474 29.700 0.053 0.000 0.746 279 E HN 0.182 nan 8.360 nan 0.000 0.466 280 A N 1.177 124.012 122.820 0.024 0.000 1.859 280 A HA -0.223 4.095 4.320 -0.003 0.000 0.217 280 A C 2.138 179.727 177.584 0.009 0.000 1.198 280 A CA 1.624 53.658 52.037 -0.005 0.000 0.629 280 A CB -0.930 18.041 19.000 -0.049 0.000 0.830 280 A HN 0.401 nan 8.150 nan 0.000 0.446 281 L N -0.100 121.132 121.223 0.015 0.000 1.956 281 L HA -0.180 4.158 4.340 -0.003 0.000 0.216 281 L C 2.365 179.275 176.870 0.067 0.000 1.073 281 L CA 2.044 56.909 54.840 0.042 0.000 0.762 281 L CB -0.700 41.409 42.059 0.083 0.000 0.889 281 L HN 0.445 nan 8.230 nan 0.000 0.433 282 L N -1.312 119.968 121.223 0.095 0.000 2.151 282 L HA -0.319 4.019 4.340 -0.003 0.000 0.215 282 L C 2.351 179.245 176.870 0.041 0.000 1.084 282 L CA 1.503 56.383 54.840 0.067 0.000 0.764 282 L CB -0.639 41.456 42.059 0.061 0.000 0.891 282 L HN 0.268 nan 8.230 nan 0.000 0.435 283 V N -0.826 119.110 119.914 0.037 0.000 2.302 283 V HA -0.203 3.915 4.120 -0.003 0.000 0.243 283 V C 2.353 178.474 176.094 0.044 0.000 1.036 283 V CA 1.483 63.801 62.300 0.030 0.000 1.020 283 V CB -0.404 31.430 31.823 0.019 0.000 0.657 283 V HN 0.406 nan 8.190 nan 0.000 0.453 284 E N -0.226 119.997 120.200 0.038 0.000 2.171 284 E HA -0.251 4.097 4.350 -0.003 0.000 0.197 284 E C 2.206 178.843 176.600 0.062 0.000 0.997 284 E CA 1.499 57.925 56.400 0.043 0.000 0.810 284 E CB -0.207 29.509 29.700 0.027 0.000 0.738 284 E HN 0.547 nan 8.360 nan 0.000 0.467 285 M N 0.064 119.701 119.600 0.063 0.000 2.132 285 M HA -0.162 4.316 4.480 -0.003 0.000 0.263 285 M C 2.344 178.717 176.300 0.123 0.000 1.065 285 M CA 1.229 56.574 55.300 0.075 0.000 1.122 285 M CB -0.317 32.320 32.600 0.060 0.000 1.365 285 M HN 0.097 nan 8.290 nan 0.000 0.411 286 L N -0.591 120.712 121.223 0.132 0.000 2.056 286 L HA -0.051 4.287 4.340 -0.003 0.000 0.207 286 L C 2.736 179.770 176.870 0.274 0.000 1.078 286 L CA 1.355 56.346 54.840 0.251 0.000 0.749 286 L CB -1.373 40.774 42.059 0.148 0.000 0.901 286 L HN 0.351 nan 8.230 nan 0.000 0.433 287 G N -0.011 108.890 108.800 0.168 0.000 2.475 287 G HA2 -0.208 3.750 3.960 -0.003 0.000 0.220 287 G HA3 -0.208 3.750 3.960 -0.003 0.000 0.220 287 G C 1.614 176.622 174.900 0.179 0.000 1.125 287 G CA 0.841 46.031 45.100 0.150 0.000 0.755 287 G HN 0.235 nan 8.290 nan 0.000 0.565 288 L N -0.624 120.685 121.223 0.143 0.000 2.130 288 L HA 0.202 4.540 4.340 -0.003 0.000 0.200 288 L C 2.790 179.733 176.870 0.121 0.000 1.075 288 L CA 0.191 55.097 54.840 0.110 0.000 0.768 288 L CB -0.461 41.641 42.059 0.072 0.000 0.933 288 L HN 0.123 nan 8.230 nan 0.000 0.451 289 L N -0.201 121.118 121.223 0.160 0.000 2.270 289 L HA -0.305 4.034 4.340 -0.003 0.000 0.217 289 L C 2.658 179.605 176.870 0.129 0.000 1.107 289 L CA 1.166 56.111 54.840 0.174 0.000 0.772 289 L CB -0.588 41.639 42.059 0.280 0.000 0.902 289 L HN 0.474 nan 8.230 nan 0.000 0.439 290 H N 0.153 119.245 119.070 0.036 0.000 2.287 290 H HA -0.148 4.406 4.556 -0.004 0.000 0.309 290 H C 2.353 177.661 175.328 -0.034 0.000 1.059 290 H CA 1.393 57.404 56.048 -0.062 0.000 1.357 290 H CB 0.049 29.787 29.762 -0.040 0.000 1.409 290 H HN 0.122 nan 8.280 nan 0.000 0.515 291 R N 0.472 120.840 120.500 -0.221 0.000 2.139 291 R HA -0.109 4.229 4.340 -0.003 0.000 0.243 291 R C 2.661 178.852 176.300 -0.182 0.000 1.145 291 R CA 1.560 57.494 56.100 -0.277 0.000 0.976 291 R CB -0.214 30.058 30.300 -0.047 0.000 0.866 291 R HN 0.419 nan 8.270 nan 0.000 0.449 292 I N -0.049 120.468 120.570 -0.089 0.000 2.113 292 I HA -0.263 3.905 4.170 -0.003 0.000 0.238 292 I C 2.397 178.469 176.117 -0.075 0.000 1.070 292 I CA 1.383 62.654 61.300 -0.050 0.000 1.332 292 I CB -0.537 37.467 38.000 0.007 0.000 1.044 292 I HN 0.313 nan 8.210 nan 0.000 0.402 293 A N 0.070 122.839 122.820 -0.086 0.000 2.032 293 A HA -0.291 4.027 4.320 -0.003 0.000 0.221 293 A C 2.222 179.727 177.584 -0.131 0.000 1.165 293 A CA 1.978 53.960 52.037 -0.092 0.000 0.645 293 A CB -0.595 18.345 19.000 -0.101 0.000 0.807 293 A HN 0.429 nan 8.150 nan 0.000 0.453 294 M N -0.666 118.802 119.600 -0.221 0.000 2.062 294 M HA -0.083 4.395 4.480 -0.003 0.000 0.259 294 M C 1.997 178.221 176.300 -0.126 0.000 1.076 294 M CA 1.958 57.125 55.300 -0.222 0.000 1.122 294 M CB -0.457 31.919 32.600 -0.373 0.000 1.312 294 M HN 0.121 nan 8.290 nan 0.000 0.412 295 V N 0.974 120.822 119.914 -0.110 0.000 2.317 295 V HA -0.384 3.734 4.120 -0.003 0.000 0.251 295 V C 2.256 178.322 176.094 -0.047 0.000 1.065 295 V CA 2.230 64.491 62.300 -0.065 0.000 1.049 295 V CB -1.217 30.577 31.823 -0.049 0.000 0.651 295 V HN 0.596 nan 8.190 nan 0.000 0.450 296 Q N -0.647 119.126 119.800 -0.045 0.000 1.978 296 Q HA -0.284 4.054 4.340 -0.003 0.000 0.211 296 Q C 2.325 178.305 176.000 -0.033 0.000 1.013 296 Q CA 2.286 58.070 55.803 -0.032 0.000 0.869 296 Q CB -0.634 28.085 28.738 -0.031 0.000 0.953 296 Q HN 0.512 nan 8.270 nan 0.000 0.415 297 L N 0.322 121.519 121.223 -0.042 0.000 1.929 297 L HA -0.129 4.209 4.340 -0.003 0.000 0.229 297 L C 1.034 177.886 176.870 -0.030 0.000 1.086 297 L CA 1.678 56.496 54.840 -0.036 0.000 0.798 297 L CB -0.642 41.391 42.059 -0.043 0.000 0.898 297 L HN 0.214 nan 8.230 nan 0.000 0.436 298 S N -0.719 114.960 115.700 -0.034 0.000 2.429 298 S HA 0.312 4.780 4.470 -0.003 0.000 0.302 298 S C -1.603 172.980 174.600 -0.028 0.000 1.115 298 S CA -1.549 56.635 58.200 -0.027 0.000 1.095 298 S CB 1.542 64.728 63.200 -0.024 0.000 0.987 298 S HN 0.058 nan 8.310 nan 0.000 0.474 299 P HA -0.059 nan 4.420 nan 0.000 0.213 299 P C 1.301 178.591 177.300 -0.018 0.000 1.170 299 P CA 1.500 64.588 63.100 -0.019 0.000 0.898 299 P CB 0.013 31.706 31.700 -0.013 0.000 0.787 300 A N -0.112 122.700 122.820 -0.014 0.000 2.186 300 A HA -0.097 4.221 4.320 -0.003 0.000 0.219 300 A C 2.182 179.758 177.584 -0.014 0.000 1.159 300 A CA 1.641 53.672 52.037 -0.011 0.000 0.680 300 A CB -1.577 17.419 19.000 -0.008 0.000 0.787 300 A HN 0.202 nan 8.150 nan 0.000 0.467 301 A N -0.749 122.059 122.820 -0.021 0.000 2.186 301 A HA 0.112 4.430 4.320 -0.003 0.000 0.219 301 A C 1.099 178.666 177.584 -0.028 0.000 1.159 301 A CA 0.636 52.657 52.037 -0.027 0.000 0.680 301 A CB -0.618 18.357 19.000 -0.042 0.000 0.787 301 A HN 0.665 nan 8.150 nan 0.000 0.467 302 L N 0.647 121.855 121.223 -0.025 0.000 2.410 302 L HA 0.471 4.809 4.340 -0.003 0.000 0.273 302 L C 1.036 177.902 176.870 -0.007 0.000 1.144 302 L CA -0.212 54.616 54.840 -0.021 0.000 0.863 302 L CB 0.423 42.472 42.059 -0.017 0.000 1.140 302 L HN 0.273 nan 8.230 nan 0.000 0.463 303 G N 2.771 111.570 108.800 -0.001 0.000 2.760 303 G HA2 -0.186 3.772 3.960 -0.003 0.000 0.236 303 G HA3 -0.186 3.772 3.960 -0.003 0.000 0.236 303 G C 0.597 175.501 174.900 0.008 0.000 1.243 303 G CA -0.073 45.032 45.100 0.009 0.000 0.850 303 G HN 0.856 nan 8.290 nan 0.000 0.595 304 N N -0.060 118.646 118.700 0.010 0.000 2.392 304 N HA -0.091 4.647 4.740 -0.003 0.000 0.177 304 N C 1.721 177.237 175.510 0.009 0.000 1.066 304 N CA 1.061 54.116 53.050 0.009 0.000 0.895 304 N CB 0.057 38.550 38.487 0.010 0.000 0.988 304 N HN 0.666 nan 8.380 nan 0.000 0.457 305 D N 0.271 120.677 120.400 0.011 0.000 2.183 305 D HA -0.143 4.495 4.640 -0.003 0.000 0.203 305 D C 1.050 177.356 176.300 0.010 0.000 0.969 305 D CA 0.632 54.638 54.000 0.011 0.000 0.842 305 D CB -0.400 40.408 40.800 0.013 0.000 0.957 305 D HN 0.397 nan 8.370 nan 0.000 0.484 306 M N -1.050 118.556 119.600 0.010 0.000 3.494 306 M HA 0.710 5.189 4.480 -0.003 0.000 0.213 306 M C 0.876 177.180 176.300 0.006 0.000 1.255 306 M CA -0.622 54.683 55.300 0.009 0.000 1.360 306 M CB 1.338 33.945 32.600 0.012 0.000 1.138 306 M HN -0.105 nan 8.290 nan 0.000 0.615 307 A N 1.584 124.407 122.820 0.005 0.000 1.898 307 A HA 0.141 4.459 4.320 -0.003 0.000 0.216 307 A C 2.238 179.824 177.584 0.003 0.000 1.181 307 A CA 1.710 53.749 52.037 0.004 0.000 0.620 307 A CB -0.503 18.499 19.000 0.003 0.000 0.819 307 A HN 0.823 nan 8.150 nan 0.000 0.442 308 A N -1.344 121.478 122.820 0.003 0.000 2.225 308 A HA 0.181 4.499 4.320 -0.003 0.000 0.215 308 A C 1.682 179.268 177.584 0.002 0.000 1.164 308 A CA 1.261 53.299 52.037 0.002 0.000 0.710 308 A CB -0.401 18.599 19.000 0.001 0.000 0.780 308 A HN 0.503 nan 8.150 nan 0.000 0.473 309 I N -2.213 118.359 120.570 0.004 0.000 4.439 309 I HA 0.021 4.189 4.170 -0.003 0.000 0.331 309 I C 1.946 178.066 176.117 0.004 0.000 1.345 309 I CA 0.381 61.684 61.300 0.004 0.000 1.193 309 I CB 0.251 38.255 38.000 0.006 0.000 1.221 309 I HN 0.491 nan 8.210 nan 0.000 0.429 310 E N 1.962 122.164 120.200 0.004 0.000 2.085 310 E HA -0.247 4.101 4.350 -0.003 0.000 0.194 310 E C 2.234 178.836 176.600 0.002 0.000 0.994 310 E CA 1.289 57.691 56.400 0.003 0.000 0.801 310 E CB 0.044 29.745 29.700 0.002 0.000 0.743 310 E HN 0.473 nan 8.360 nan 0.000 0.453 311 L N 0.510 121.734 121.223 0.003 0.000 2.051 311 L HA -0.233 4.105 4.340 -0.003 0.000 0.214 311 L C 2.934 179.806 176.870 0.004 0.000 1.076 311 L CA 1.633 56.475 54.840 0.003 0.000 0.758 311 L CB -0.220 41.841 42.059 0.003 0.000 0.890 311 L HN 0.217 nan 8.230 nan 0.000 0.433 312 R N -1.424 119.078 120.500 0.004 0.000 2.100 312 R HA -0.059 4.279 4.340 -0.003 0.000 0.220 312 R C 2.277 178.580 176.300 0.007 0.000 1.091 312 R CA 0.650 56.753 56.100 0.005 0.000 0.986 312 R CB 0.105 30.408 30.300 0.005 0.000 0.888 312 R HN 0.274 nan 8.270 nan 0.000 0.444 313 M N 0.268 119.872 119.600 0.006 0.000 2.077 313 M HA -0.116 4.362 4.480 -0.003 0.000 0.261 313 M C 2.081 178.384 176.300 0.005 0.000 1.070 313 M CA 1.472 56.775 55.300 0.006 0.000 1.125 313 M CB -0.791 31.811 32.600 0.004 0.000 1.339 313 M HN 0.029 nan 8.290 nan 0.000 0.409 314 R N 0.367 120.868 120.500 0.002 0.000 2.113 314 R HA -0.220 4.118 4.340 -0.003 0.000 0.244 314 R C 2.043 178.346 176.300 0.005 0.000 1.142 314 R CA 1.827 57.927 56.100 0.001 0.000 0.953 314 R CB -0.880 29.421 30.300 0.000 0.000 0.860 314 R HN 0.403 nan 8.270 nan 0.000 0.438 315 E N 0.837 121.042 120.200 0.007 0.000 2.058 315 E HA -0.134 4.214 4.350 -0.003 0.000 0.194 315 E C 2.102 178.711 176.600 0.016 0.000 0.997 315 E CA 1.144 57.550 56.400 0.011 0.000 0.801 315 E CB -0.329 29.378 29.700 0.011 0.000 0.746 315 E HN 0.268 nan 8.360 nan 0.000 0.450 316 L N -0.401 120.833 121.223 0.018 0.000 2.131 316 L HA -0.131 4.207 4.340 -0.003 0.000 0.210 316 L C 2.381 179.270 176.870 0.032 0.000 1.092 316 L CA 1.062 55.919 54.840 0.028 0.000 0.759 316 L CB -0.398 41.676 42.059 0.026 0.000 0.903 316 L HN 0.245 nan 8.230 nan 0.000 0.435 317 A N -0.179 122.653 122.820 0.020 0.000 1.930 317 A HA -0.222 4.096 4.320 -0.003 0.000 0.217 317 A C 2.391 179.984 177.584 0.015 0.000 1.175 317 A CA 1.493 53.539 52.037 0.014 0.000 0.627 317 A CB -0.489 18.510 19.000 -0.001 0.000 0.815 317 A HN 0.354 nan 8.150 nan 0.000 0.443 318 R N -0.084 120.424 120.500 0.013 0.000 2.073 318 R HA -0.143 4.195 4.340 -0.003 0.000 0.234 318 R C 2.092 178.403 176.300 0.019 0.000 1.134 318 R CA 2.298 58.405 56.100 0.012 0.000 0.952 318 R CB -0.522 29.785 30.300 0.010 0.000 0.850 318 R HN 0.595 nan 8.270 nan 0.000 0.433 319 T N -1.655 112.915 114.554 0.027 0.000 3.081 319 T HA 0.234 4.582 4.350 -0.003 0.000 0.255 319 T C 1.008 175.735 174.700 0.045 0.000 1.113 319 T CA 0.103 62.222 62.100 0.033 0.000 1.082 319 T CB 0.017 68.906 68.868 0.035 0.000 0.939 319 T HN 0.104 nan 8.240 nan 0.000 0.506 320 I N 2.104 122.707 120.570 0.054 0.000 2.433 320 I HA 0.413 4.582 4.170 -0.003 0.000 0.292 320 I C -2.825 173.321 176.117 0.049 0.000 1.001 320 I CA -3.143 58.201 61.300 0.074 0.000 1.119 320 I CB 1.887 39.967 38.000 0.133 0.000 1.289 320 I HN -0.202 nan 8.210 nan 0.000 0.438 321 P HA 0.147 nan 4.420 nan 0.000 0.267 321 P C -2.110 175.192 177.300 0.002 0.000 1.209 321 P CA -1.138 61.965 63.100 0.006 0.000 0.763 321 P CB 0.176 31.869 31.700 -0.012 0.000 0.816 322 P HA -0.304 nan 4.420 nan 0.000 0.217 322 P C 1.697 178.985 177.300 -0.020 0.000 1.158 322 P CA 2.358 65.454 63.100 -0.007 0.000 0.887 322 P CB -0.524 31.168 31.700 -0.014 0.000 0.792 323 T N -3.243 111.293 114.554 -0.030 0.000 2.720 323 T HA -0.229 4.119 4.350 -0.003 0.000 0.268 323 T C 1.587 176.238 174.700 -0.082 0.000 1.037 323 T CA 1.949 64.022 62.100 -0.045 0.000 1.144 323 T CB -1.223 67.620 68.868 -0.042 0.000 0.864 323 T HN -0.026 nan 8.240 nan 0.000 0.444 324 D N 1.133 121.470 120.400 -0.106 0.000 2.092 324 D HA -0.015 4.623 4.640 -0.003 0.000 0.193 324 D C 2.091 178.217 176.300 -0.289 0.000 0.994 324 D CA 1.169 55.034 54.000 -0.225 0.000 0.828 324 D CB -0.456 40.248 40.800 -0.160 0.000 0.963 324 D HN 0.480 nan 8.370 nan 0.000 0.450 325 I N 0.566 121.106 120.570 -0.051 0.000 2.286 325 I HA -0.244 3.924 4.170 -0.003 0.000 0.248 325 I C 2.273 178.446 176.117 0.094 0.000 1.115 325 I CA 0.853 62.219 61.300 0.111 0.000 1.392 325 I CB -0.160 37.915 38.000 0.125 0.000 1.065 325 I HN 0.053 nan 8.210 nan 0.000 0.418 326 Q N 0.148 119.963 119.800 0.026 0.000 2.170 326 Q HA -0.200 4.139 4.340 -0.003 0.000 0.203 326 Q C 2.205 178.251 176.000 0.077 0.000 0.976 326 Q CA 1.312 57.150 55.803 0.058 0.000 0.858 326 Q CB -0.443 28.305 28.738 0.016 0.000 0.907 326 Q HN 0.422 nan 8.270 nan 0.000 0.433 327 L N -0.091 121.109 121.223 -0.039 0.000 1.994 327 L HA -0.198 4.140 4.340 -0.003 0.000 0.208 327 L C 1.996 178.872 176.870 0.009 0.000 1.071 327 L CA 1.842 56.633 54.840 -0.080 0.000 0.745 327 L CB -1.033 40.890 42.059 -0.226 0.000 0.892 327 L HN 0.076 nan 8.230 nan 0.000 0.431 328 Y N -1.391 118.979 120.300 0.117 0.000 2.165 328 Y HA -0.290 4.258 4.550 -0.003 0.000 0.286 328 Y C 2.555 178.538 175.900 0.138 0.000 1.155 328 Y CA 1.923 60.098 58.100 0.124 0.000 1.164 328 Y CB -1.447 37.091 38.460 0.130 0.000 0.978 328 Y HN 0.354 nan 8.280 nan 0.000 0.513 329 Y N 0.859 121.268 120.300 0.182 0.000 2.089 329 Y HA -0.314 4.234 4.550 -0.003 0.000 0.282 329 Y C 2.729 178.675 175.900 0.076 0.000 1.139 329 Y CA 2.028 60.198 58.100 0.118 0.000 1.123 329 Y CB -0.748 37.772 38.460 0.101 0.000 0.980 329 Y HN 0.101 nan 8.280 nan 0.000 0.493 330 Q N 0.101 120.005 119.800 0.174 0.000 2.045 330 Q HA -0.262 4.076 4.340 -0.003 0.000 0.215 330 Q C 2.122 178.098 176.000 -0.040 0.000 1.026 330 Q CA 3.498 59.325 55.803 0.039 0.000 0.885 330 Q CB -1.037 27.736 28.738 0.058 0.000 0.984 330 Q HN 0.568 nan 8.270 nan 0.000 0.414 331 T N 0.595 115.155 114.554 0.010 0.000 2.746 331 T HA -0.094 4.254 4.350 -0.003 0.000 0.267 331 T C 1.715 176.409 174.700 -0.011 0.000 1.039 331 T CA 1.346 63.449 62.100 0.004 0.000 1.142 331 T CB -0.249 68.660 68.868 0.068 0.000 0.866 331 T HN 0.230 nan 8.240 nan 0.000 0.444 332 L N 0.162 121.379 121.223 -0.010 0.000 2.291 332 L HA 0.046 4.384 4.340 -0.003 0.000 0.214 332 L C 2.314 179.111 176.870 -0.122 0.000 1.120 332 L CA 0.507 55.324 54.840 -0.040 0.000 0.799 332 L CB -0.372 41.680 42.059 -0.012 0.000 0.925 332 L HN 0.238 nan 8.230 nan 0.000 0.446 333 L N 0.735 121.826 121.223 -0.220 0.000 2.023 333 L HA -0.149 4.190 4.340 -0.003 0.000 0.205 333 L C 2.355 179.151 176.870 -0.124 0.000 1.073 333 L CA 1.600 56.285 54.840 -0.259 0.000 0.745 333 L CB -0.320 41.505 42.059 -0.390 0.000 0.900 333 L HN 0.233 nan 8.230 nan 0.000 0.435 334 I N -2.268 118.249 120.570 -0.089 0.000 2.454 334 I HA -0.052 4.117 4.170 -0.003 0.000 0.254 334 I C 2.189 178.291 176.117 -0.025 0.000 1.156 334 I CA 1.368 62.640 61.300 -0.046 0.000 1.433 334 I CB -1.316 36.658 38.000 -0.044 0.000 1.082 334 I HN 0.257 nan 8.210 nan 0.000 0.432 335 G N 1.335 110.116 108.800 -0.031 0.000 2.469 335 G HA2 -0.307 3.651 3.960 -0.003 0.000 0.219 335 G HA3 -0.307 3.651 3.960 -0.003 0.000 0.219 335 G C 1.842 176.739 174.900 -0.006 0.000 1.150 335 G CA 1.032 46.124 45.100 -0.013 0.000 0.763 335 G HN 0.435 nan 8.290 nan 0.000 0.561 336 R N 0.271 120.758 120.500 -0.020 0.000 2.075 336 R HA -0.029 4.309 4.340 -0.003 0.000 0.230 336 R C 2.588 178.891 176.300 0.004 0.000 1.140 336 R CA 1.645 57.738 56.100 -0.012 0.000 0.928 336 R CB -0.418 29.863 30.300 -0.032 0.000 0.834 336 R HN 0.291 nan 8.270 nan 0.000 0.429 337 K N 0.422 120.826 120.400 0.007 0.000 2.127 337 K HA -0.249 4.069 4.320 -0.003 0.000 0.212 337 K C 1.788 178.455 176.600 0.111 0.000 1.050 337 K CA 2.265 58.581 56.287 0.048 0.000 0.929 337 K CB -0.034 32.487 32.500 0.035 0.000 0.715 337 K HN 0.317 nan 8.250 nan 0.000 0.457 338 E N -0.107 120.146 120.200 0.087 0.000 2.299 338 E HA -0.120 4.228 4.350 -0.003 0.000 0.193 338 E C 1.807 178.469 176.600 0.105 0.000 0.998 338 E CA 0.208 56.690 56.400 0.137 0.000 0.851 338 E CB 0.068 29.809 29.700 0.070 0.000 0.795 338 E HN 0.146 nan 8.360 nan 0.000 0.492 339 L N 1.596 122.837 121.223 0.030 0.000 2.043 339 L HA -0.154 4.184 4.340 -0.003 0.000 0.212 339 L C -1.021 175.815 176.870 -0.057 0.000 1.075 339 L CA 2.045 56.881 54.840 -0.007 0.000 0.752 339 L CB -0.990 41.069 42.059 -0.001 0.000 0.891 339 L HN 0.034 nan 8.230 nan 0.000 0.432 340 P HA -0.216 nan 4.420 nan 0.000 0.217 340 P C 0.874 177.967 177.300 -0.346 0.000 1.151 340 P CA 1.900 64.776 63.100 -0.374 0.000 0.849 340 P CB -0.135 31.088 31.700 -0.796 0.000 0.787 341 Y N -1.933 118.363 120.300 -0.007 0.000 2.481 341 Y HA 0.394 4.942 4.550 -0.003 0.000 0.258 341 Y C 1.493 177.384 175.900 -0.015 0.000 1.103 341 Y CA -0.476 57.618 58.100 -0.009 0.000 1.287 341 Y CB -0.400 38.054 38.460 -0.010 0.000 1.108 341 Y HN -0.194 nan 8.280 nan 0.000 0.529 342 A N 2.374 125.256 122.820 0.104 0.000 2.520 342 A HA 0.050 4.368 4.320 -0.003 0.000 0.235 342 A C -1.023 176.569 177.584 0.014 0.000 1.065 342 A CA -0.914 51.146 52.037 0.040 0.000 0.764 342 A CB -0.239 18.761 19.000 -0.001 0.000 1.002 342 A HN 0.159 nan 8.150 nan 0.000 0.502 343 P HA -0.111 nan 4.420 nan 0.000 0.217 343 P C 0.014 177.303 177.300 -0.018 0.000 1.148 343 P CA 1.909 65.006 63.100 -0.004 0.000 0.828 343 P CB 0.025 31.717 31.700 -0.013 0.000 0.783 344 D N -2.094 118.281 120.400 -0.042 0.000 2.861 344 D HA 0.130 4.768 4.640 -0.003 0.000 0.216 344 D C 0.963 177.200 176.300 -0.106 0.000 1.323 344 D CA -0.653 53.313 54.000 -0.058 0.000 0.917 344 D CB 1.048 41.810 40.800 -0.063 0.000 1.582 344 D HN -0.323 nan 8.370 nan 0.000 0.576 345 R N 2.002 122.460 120.500 -0.070 0.000 2.133 345 R HA -0.187 4.151 4.340 -0.003 0.000 0.247 345 R C 1.988 178.066 176.300 -0.369 0.000 1.151 345 R CA 1.661 57.714 56.100 -0.078 0.000 0.971 345 R CB -0.036 30.328 30.300 0.106 0.000 0.866 345 R HN 0.482 nan 8.270 nan 0.000 0.447 346 R N 0.837 120.924 120.500 -0.688 0.000 2.064 346 R HA -0.110 4.228 4.340 -0.003 0.000 0.228 346 R C 2.329 178.202 176.300 -0.711 0.000 1.144 346 R CA 1.674 56.978 56.100 -1.326 0.000 0.932 346 R CB -0.378 29.329 30.300 -0.989 0.000 0.833 346 R HN 0.082 nan 8.270 nan 0.000 0.429 347 M N 0.221 119.580 119.600 -0.401 0.000 2.128 347 M HA -0.229 4.249 4.480 -0.003 0.000 0.253 347 M C 2.004 178.184 176.300 -0.199 0.000 1.079 347 M CA 2.407 57.564 55.300 -0.238 0.000 1.082 347 M CB -0.484 32.029 32.600 -0.146 0.000 1.335 347 M HN 0.535 nan 8.290 nan 0.000 0.401 348 G N -1.410 107.277 108.800 -0.190 0.000 2.404 348 G HA2 -0.153 3.805 3.960 -0.003 0.000 0.215 348 G HA3 -0.153 3.805 3.960 -0.003 0.000 0.215 348 G C 1.313 176.135 174.900 -0.130 0.000 1.174 348 G CA 0.853 45.881 45.100 -0.120 0.000 0.780 348 G HN 0.391 nan 8.290 nan 0.000 0.537 349 V N 0.697 120.487 119.914 -0.206 0.000 2.287 349 V HA -0.211 3.907 4.120 -0.003 0.000 0.248 349 V C 2.686 178.693 176.094 -0.146 0.000 1.053 349 V CA 2.341 64.551 62.300 -0.151 0.000 1.027 349 V CB -0.540 31.197 31.823 -0.142 0.000 0.646 349 V HN 0.467 nan 8.190 nan 0.000 0.447 350 E N -0.759 119.301 120.200 -0.233 0.000 2.033 350 E HA -0.338 4.010 4.350 -0.003 0.000 0.199 350 E C 2.137 178.688 176.600 -0.082 0.000 1.011 350 E CA 2.056 58.363 56.400 -0.154 0.000 0.815 350 E CB -0.270 29.322 29.700 -0.179 0.000 0.755 350 E HN 0.431 nan 8.360 nan 0.000 0.451 351 M N 0.392 119.945 119.600 -0.078 0.000 2.202 351 M HA -0.144 4.334 4.480 -0.003 0.000 0.262 351 M C 2.065 178.361 176.300 -0.007 0.000 1.063 351 M CA 1.545 56.825 55.300 -0.034 0.000 1.097 351 M CB -0.180 32.401 32.600 -0.032 0.000 1.382 351 M HN -0.029 nan 8.290 nan 0.000 0.413 352 T N 0.218 114.762 114.554 -0.016 0.000 2.788 352 T HA -0.070 4.278 4.350 -0.003 0.000 0.268 352 T C 1.643 176.363 174.700 0.032 0.000 1.044 352 T CA 1.427 63.532 62.100 0.009 0.000 1.139 352 T CB -0.238 68.632 68.868 0.002 0.000 0.867 352 T HN 0.380 nan 8.240 nan 0.000 0.454 353 L N 0.254 121.488 121.223 0.018 0.000 2.240 353 L HA 0.127 4.465 4.340 -0.003 0.000 0.211 353 L C 2.297 179.191 176.870 0.040 0.000 1.106 353 L CA 0.544 55.401 54.840 0.028 0.000 0.793 353 L CB -0.329 41.733 42.059 0.005 0.000 0.927 353 L HN 0.243 nan 8.230 nan 0.000 0.446 354 L N -0.529 120.713 121.223 0.031 0.000 2.093 354 L HA -0.212 4.126 4.340 -0.003 0.000 0.208 354 L C 2.775 179.703 176.870 0.097 0.000 1.085 354 L CA 1.178 56.043 54.840 0.042 0.000 0.755 354 L CB -0.498 41.573 42.059 0.021 0.000 0.904 354 L HN 0.300 nan 8.230 nan 0.000 0.435 355 R N 0.325 120.899 120.500 0.122 0.000 2.080 355 R HA -0.214 4.124 4.340 -0.003 0.000 0.236 355 R C 2.382 178.849 176.300 0.280 0.000 1.137 355 R CA 1.683 57.917 56.100 0.222 0.000 0.943 355 R CB -0.273 30.111 30.300 0.140 0.000 0.846 355 R HN 0.337 nan 8.270 nan 0.000 0.431 356 A N 1.088 124.028 122.820 0.199 0.000 1.884 356 A HA -0.208 4.110 4.320 -0.003 0.000 0.219 356 A C 2.228 179.971 177.584 0.266 0.000 1.197 356 A CA 1.727 53.915 52.037 0.251 0.000 0.637 356 A CB -0.732 18.387 19.000 0.198 0.000 0.827 356 A HN 0.368 nan 8.150 nan 0.000 0.450 357 L N -1.115 120.197 121.223 0.148 0.000 2.056 357 L HA -0.153 4.185 4.340 -0.003 0.000 0.207 357 L C 3.116 180.061 176.870 0.124 0.000 1.078 357 L CA 1.008 55.902 54.840 0.090 0.000 0.749 357 L CB -0.660 41.402 42.059 0.005 0.000 0.901 357 L HN 0.443 nan 8.230 nan 0.000 0.433 358 A N -0.024 122.855 122.820 0.098 0.000 1.908 358 A HA -0.173 4.145 4.320 -0.003 0.000 0.218 358 A C 1.705 179.177 177.584 -0.187 0.000 1.181 358 A CA 1.556 53.563 52.037 -0.050 0.000 0.627 358 A CB -0.675 18.285 19.000 -0.067 0.000 0.818 358 A HN 0.389 nan 8.150 nan 0.000 0.445 359 F N -0.544 119.461 119.950 0.091 0.000 2.645 359 F HA 0.177 4.702 4.527 -0.003 0.000 0.300 359 F C 0.971 176.840 175.800 0.115 0.000 1.115 359 F CA -0.449 57.598 58.000 0.079 0.000 1.355 359 F CB -0.355 38.675 39.000 0.050 0.000 1.026 359 F HN 0.311 nan 8.300 nan 0.000 0.536 360 H N 2.781 121.951 119.070 0.166 0.000 3.034 360 H HA -0.014 4.540 4.556 -0.003 0.000 0.324 360 H C -1.645 173.740 175.328 0.095 0.000 1.015 360 H CA -1.021 55.124 56.048 0.162 0.000 1.429 360 H CB 1.437 31.290 29.762 0.151 0.000 1.429 360 H HN 0.008 nan 8.280 nan 0.000 0.585 361 P HA -0.053 nan 4.420 nan 0.000 0.218 361 P C 1.170 178.313 177.300 -0.262 0.000 1.152 361 P CA 0.854 63.804 63.100 -0.248 0.000 0.826 361 P CB 0.434 31.978 31.700 -0.260 0.000 0.790 362 R N -1.497 118.720 120.500 -0.471 0.000 2.265 362 R HA 0.341 4.679 4.340 -0.003 0.000 0.194 362 R C 0.769 177.067 176.300 -0.004 0.000 0.931 362 R CA 0.425 56.416 56.100 -0.181 0.000 1.032 362 R CB -0.112 30.122 30.300 -0.109 0.000 0.980 362 R HN 0.305 nan 8.270 nan 0.000 0.497 363 M N 0.836 120.515 119.600 0.132 0.000 3.044 363 M HA 0.255 4.733 4.480 -0.003 0.000 0.344 363 M C -2.647 173.796 176.300 0.237 0.000 1.524 363 M CA -1.437 53.989 55.300 0.209 0.000 0.682 363 M CB 2.529 35.269 32.600 0.233 0.000 2.220 363 M HN -0.313 nan 8.290 nan 0.000 0.421 364 P HA 0.058 nan 4.420 nan 0.000 0.268 364 P C -0.316 177.009 177.300 0.042 0.000 1.208 364 P CA -0.463 62.685 63.100 0.080 0.000 0.777 364 P CB 0.530 32.229 31.700 -0.003 0.000 0.875 365 L N 4.457 125.687 121.223 0.013 0.000 2.514 365 L HA 0.123 4.461 4.340 -0.003 0.000 0.280 365 L C -1.795 175.059 176.870 -0.027 0.000 1.223 365 L CA -1.016 53.817 54.840 -0.011 0.000 0.864 365 L CB -1.082 40.962 42.059 -0.026 0.000 1.118 365 L HN 0.356 nan 8.230 nan 0.000 0.494 366 P HA 0.118 nan 4.420 nan 0.000 0.270 366 P C -0.770 176.513 177.300 -0.029 0.000 1.242 366 P CA -0.228 62.860 63.100 -0.020 0.000 0.768 366 P CB 0.362 32.055 31.700 -0.012 0.000 0.820 367 E N 4.264 124.444 120.200 -0.033 0.000 2.390 367 E HA 0.214 4.562 4.350 -0.003 0.000 0.261 367 E C -1.365 175.221 176.600 -0.024 0.000 1.076 367 E CA -1.366 55.013 56.400 -0.036 0.000 0.905 367 E CB -0.171 29.505 29.700 -0.040 0.000 0.984 367 E HN 0.342 nan 8.360 nan 0.000 0.427 368 P HA 0.000 nan 4.420 nan 0.000 0.216 368 P CA 0.000 63.090 63.100 -0.016 0.000 0.800 368 P CB 0.000 31.691 31.700 -0.015 0.000 0.726