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 2r7d_1_A DATA FIRST_RESID 3 DATA SEQUENCE QPELTPAQRT EVELLARGRA DKSRVLRDLK LPETPEAAHA LLLRLGVWDE DATA SEQUENCE ARTPYADRLR AALNAVELPV PDFDPAEERL DLTHLPTFAI DDEGNQDPDD DATA SEQUENCE AVGVEDLGGG LTRLWVHVAD VAALVAPDSP LDLEARARGA TLYLPDRTIG DATA SEQUENCE XLPDELVAKA GLGLHEVSPA LSICLDLDPD GNAEAVDVLL TRVKVQRLAY DATA SEQUENCE QEAQARLEAG EEPFVTLARL ARASRRLREG EGALSIDLPE VRVKADETGA DATA SEQUENCE SVFPLPKPEX RTVVQECXTL AGWGTAIFAD DNEIPLPFAT QDYPTREVAG DATA SEQUENCE DTLPAXWARR KTLARTRFQP SPGPHHGXGL DLYAQATSPX RRYLDLVVHQ DATA SEQUENCE QLRAFLAGRD PLSSKVXAAH IAESQXNADA TRQAERLSRR HHTLRFIAAQ DATA SEQUENCE PERVWDAVVV DRRGAQATLL IPDLAFDVQV NTPAAPGTAL QVQFADIDLP DATA SEQUENCE QXRVRARSVL E 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 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 175.998 176.000 -0.004 0.000 1.003 3 Q CA 0.000 55.802 55.803 -0.002 0.000 1.022 3 Q CB 0.000 28.737 28.738 -0.002 0.000 1.108 4 P HA 0.066 nan 4.420 nan 0.000 0.269 4 P C -1.097 176.197 177.300 -0.009 0.000 1.263 4 P CA 0.612 63.707 63.100 -0.009 0.000 0.813 4 P CB 0.339 32.031 31.700 -0.013 0.000 0.868 5 E N 2.826 123.022 120.200 -0.006 0.000 1.865 5 E HA 0.140 4.490 4.350 0.000 0.000 0.269 5 E C -0.110 176.486 176.600 -0.008 0.000 1.177 5 E CA -0.638 55.759 56.400 -0.005 0.000 0.932 5 E CB 0.205 29.904 29.700 -0.001 0.000 1.066 5 E HN 0.353 nan 8.360 nan 0.000 0.405 6 L N 2.633 123.849 121.223 -0.012 0.000 2.439 6 L HA 0.056 4.396 4.340 0.000 0.000 0.269 6 L C 1.219 178.083 176.870 -0.010 0.000 1.179 6 L CA 0.275 55.105 54.840 -0.016 0.000 0.828 6 L CB 0.563 42.606 42.059 -0.026 0.000 1.106 6 L HN 0.448 nan 8.230 nan 0.000 0.467 7 T N 0.031 114.579 114.554 -0.010 0.000 2.788 7 T HA 0.269 4.619 4.350 0.000 0.000 0.287 7 T C -1.844 172.852 174.700 -0.005 0.000 1.007 7 T CA -1.380 60.717 62.100 -0.005 0.000 1.005 7 T CB 0.769 69.634 68.868 -0.005 0.000 1.012 7 T HN 0.434 nan 8.240 nan 0.000 0.530 8 P HA -0.067 nan 4.420 nan 0.000 0.214 8 P C 1.758 179.057 177.300 -0.001 0.000 1.163 8 P CA 1.808 64.909 63.100 0.003 0.000 0.889 8 P CB -0.388 31.317 31.700 0.007 0.000 0.790 9 A N -0.534 122.285 122.820 -0.003 0.000 1.978 9 A HA -0.289 4.031 4.320 0.000 0.000 0.220 9 A C 2.209 179.785 177.584 -0.012 0.000 1.170 9 A CA 1.746 53.779 52.037 -0.005 0.000 0.636 9 A CB -1.282 17.715 19.000 -0.005 0.000 0.810 9 A HN 0.247 nan 8.150 nan 0.000 0.448 10 Q N -0.809 118.981 119.800 -0.016 0.000 2.083 10 Q HA -0.130 4.210 4.340 0.000 0.000 0.198 10 Q C 2.348 178.324 176.000 -0.039 0.000 0.969 10 Q CA 1.344 57.132 55.803 -0.026 0.000 0.838 10 Q CB -0.169 28.555 28.738 -0.024 0.000 0.900 10 Q HN 0.662 nan 8.270 nan 0.000 0.436 11 R N 0.011 120.490 120.500 -0.036 0.000 2.091 11 R HA -0.102 4.238 4.340 0.000 0.000 0.238 11 R C 2.336 178.602 176.300 -0.057 0.000 1.136 11 R CA 1.755 57.823 56.100 -0.053 0.000 0.959 11 R CB -0.532 29.751 30.300 -0.028 0.000 0.856 11 R HN 0.184 nan 8.270 nan 0.000 0.437 12 T N 0.798 115.338 114.554 -0.024 0.000 2.788 12 T HA -0.176 4.174 4.350 0.000 0.000 0.268 12 T C 1.660 176.344 174.700 -0.027 0.000 1.044 12 T CA 1.309 63.403 62.100 -0.010 0.000 1.139 12 T CB -0.114 68.757 68.868 0.005 0.000 0.867 12 T HN 0.399 nan 8.240 nan 0.000 0.454 13 E N 0.633 120.813 120.200 -0.033 0.000 2.051 13 E HA -0.133 4.217 4.350 0.000 0.000 0.192 13 E C 2.193 178.757 176.600 -0.059 0.000 0.991 13 E CA 1.137 57.515 56.400 -0.036 0.000 0.799 13 E CB -0.075 29.605 29.700 -0.032 0.000 0.748 13 E HN 0.279 nan 8.360 nan 0.000 0.449 14 V N 1.196 121.058 119.914 -0.087 0.000 2.427 14 V HA -0.218 3.902 4.120 0.000 0.000 0.248 14 V C 2.376 178.357 176.094 -0.188 0.000 1.051 14 V CA 2.092 64.313 62.300 -0.132 0.000 1.048 14 V CB -0.522 31.206 31.823 -0.158 0.000 0.666 14 V HN 0.340 nan 8.190 nan 0.000 0.456 15 E N -0.093 119.999 120.200 -0.180 0.000 2.077 15 E HA -0.199 4.151 4.350 0.000 0.000 0.193 15 E C 2.247 178.816 176.600 -0.053 0.000 0.989 15 E CA 1.060 57.357 56.400 -0.171 0.000 0.800 15 E CB -0.028 29.663 29.700 -0.015 0.000 0.746 15 E HN 0.340 nan 8.360 nan 0.000 0.452 16 L N 0.796 122.003 121.223 -0.027 0.000 2.079 16 L HA -0.189 4.151 4.340 0.000 0.000 0.210 16 L C 2.530 179.387 176.870 -0.021 0.000 1.081 16 L CA 1.134 55.970 54.840 -0.007 0.000 0.752 16 L CB -1.088 40.966 42.059 -0.008 0.000 0.896 16 L HN 0.349 nan 8.230 nan 0.000 0.433 17 L N 0.252 121.445 121.223 -0.050 0.000 2.072 17 L HA -0.020 4.320 4.340 0.000 0.000 0.205 17 L C 2.592 179.428 176.870 -0.057 0.000 1.079 17 L CA 1.938 56.749 54.840 -0.048 0.000 0.752 17 L CB -0.819 41.206 42.059 -0.056 0.000 0.906 17 L HN 0.123 nan 8.230 nan 0.000 0.436 18 A N -0.289 122.461 122.820 -0.117 0.000 1.978 18 A HA -0.190 4.130 4.320 0.000 0.000 0.220 18 A C 2.317 179.890 177.584 -0.019 0.000 1.170 18 A CA 1.631 53.584 52.037 -0.139 0.000 0.636 18 A CB -0.556 18.163 19.000 -0.467 0.000 0.810 18 A HN 0.539 nan 8.150 nan 0.000 0.448 19 R N -1.461 119.061 120.500 0.036 0.000 2.313 19 R HA 0.159 4.499 4.340 0.000 0.000 0.199 19 R C 1.292 177.597 176.300 0.008 0.000 0.958 19 R CA 0.534 56.665 56.100 0.050 0.000 1.047 19 R CB -0.143 30.204 30.300 0.078 0.000 0.955 19 R HN 0.695 nan 8.270 nan 0.000 0.481 20 G N 1.706 110.506 108.800 0.001 0.000 2.148 20 G HA2 -0.344 3.616 3.960 0.000 0.000 0.254 20 G HA3 -0.344 3.616 3.960 0.000 0.000 0.254 20 G C 0.927 175.830 174.900 0.005 0.000 0.981 20 G CA 0.719 45.821 45.100 0.004 0.000 0.670 20 G HN 0.283 nan 8.290 nan 0.000 0.528 21 R N 0.617 121.120 120.500 0.004 0.000 2.200 21 R HA 0.591 4.931 4.340 0.000 0.000 0.208 21 R C 1.272 177.572 176.300 0.000 0.000 1.033 21 R CA 1.883 57.985 56.100 0.003 0.000 1.000 21 R CB -0.225 30.079 30.300 0.006 0.000 0.906 21 R HN 1.115 nan 8.270 nan 0.000 0.462 22 A N -0.630 122.188 122.820 -0.004 0.000 2.413 22 A HA 0.453 4.773 4.320 0.000 0.000 0.307 22 A C -0.748 176.832 177.584 -0.006 0.000 1.087 22 A CA -0.535 51.499 52.037 -0.006 0.000 0.750 22 A CB 1.471 20.464 19.000 -0.011 0.000 1.296 22 A HN 0.158 nan 8.150 nan 0.000 0.423 23 D N -0.172 120.225 120.400 -0.004 0.000 2.440 23 D HA 0.267 4.907 4.640 0.000 0.000 0.216 23 D C 0.078 176.375 176.300 -0.005 0.000 1.150 23 D CA 0.714 54.713 54.000 -0.002 0.000 0.832 23 D CB -0.043 40.758 40.800 0.002 0.000 0.992 23 D HN 0.480 nan 8.370 nan 0.000 0.502 24 K N -1.192 119.202 120.400 -0.010 0.000 2.548 24 K HA 0.543 4.863 4.320 0.000 0.000 0.282 24 K C -1.652 174.937 176.600 -0.019 0.000 1.006 24 K CA -0.899 55.381 56.287 -0.012 0.000 0.892 24 K CB 2.313 34.808 32.500 -0.009 0.000 1.499 24 K HN -0.188 nan 8.250 nan 0.000 0.433 25 S N 0.699 116.387 115.700 -0.020 0.000 2.653 25 S HA 0.227 4.698 4.470 0.000 0.000 0.268 25 S C -0.240 174.347 174.600 -0.022 0.000 1.153 25 S CA -0.609 57.575 58.200 -0.025 0.000 1.036 25 S CB 1.332 64.510 63.200 -0.037 0.000 1.103 25 S HN 0.699 nan 8.310 nan 0.000 0.466 26 R N 3.573 124.061 120.500 -0.019 0.000 2.105 26 R HA -0.018 4.322 4.340 0.000 0.000 0.239 26 R C 1.685 177.974 176.300 -0.019 0.000 1.135 26 R CA 2.416 58.506 56.100 -0.016 0.000 0.967 26 R CB -1.011 29.280 30.300 -0.014 0.000 0.861 26 R HN 0.592 nan 8.270 nan 0.000 0.442 27 V N 0.399 120.299 119.914 -0.024 0.000 2.233 27 V HA -0.268 3.852 4.120 0.000 0.000 0.247 27 V C 2.302 178.380 176.094 -0.027 0.000 1.050 27 V CA 1.739 64.023 62.300 -0.027 0.000 1.010 27 V CB -0.527 31.275 31.823 -0.036 0.000 0.637 27 V HN 0.278 nan 8.190 nan 0.000 0.444 28 L N -0.206 120.998 121.223 -0.031 0.000 2.046 28 L HA -0.178 4.162 4.340 0.000 0.000 0.208 28 L C 2.609 179.468 176.870 -0.020 0.000 1.077 28 L CA 2.078 56.901 54.840 -0.028 0.000 0.747 28 L CB -1.317 40.724 42.059 -0.031 0.000 0.896 28 L HN 0.400 nan 8.230 nan 0.000 0.432 29 R N 0.094 120.584 120.500 -0.017 0.000 2.091 29 R HA -0.210 4.130 4.340 0.000 0.000 0.238 29 R C 2.091 178.384 176.300 -0.011 0.000 1.136 29 R CA 1.918 58.011 56.100 -0.012 0.000 0.959 29 R CB -0.207 30.087 30.300 -0.011 0.000 0.856 29 R HN 0.384 nan 8.270 nan 0.000 0.437 30 D N 0.440 120.832 120.400 -0.013 0.000 2.123 30 D HA -0.137 4.503 4.640 0.000 0.000 0.200 30 D C 1.625 177.918 176.300 -0.011 0.000 0.976 30 D CA 0.900 54.893 54.000 -0.011 0.000 0.831 30 D CB 0.062 40.854 40.800 -0.012 0.000 0.974 30 D HN 0.316 nan 8.370 nan 0.000 0.469 31 L N 0.230 121.445 121.223 -0.014 0.000 2.650 31 L HA 0.074 4.414 4.340 0.000 0.000 0.235 31 L C 0.781 177.644 176.870 -0.011 0.000 1.149 31 L CA 0.206 55.038 54.840 -0.013 0.000 0.887 31 L CB -0.212 41.837 42.059 -0.017 0.000 1.021 31 L HN 0.001 nan 8.230 nan 0.000 0.441 32 K N -0.275 120.119 120.400 -0.010 0.000 3.230 32 K HA -0.179 4.141 4.320 0.000 0.000 0.285 32 K C -0.280 176.315 176.600 -0.008 0.000 1.196 32 K CA 0.533 56.816 56.287 -0.007 0.000 0.838 32 K CB -1.771 30.725 32.500 -0.006 0.000 1.262 32 K HN 0.292 nan 8.250 nan 0.000 0.492 33 L N 0.561 121.777 121.223 -0.011 0.000 2.334 33 L HA 0.425 4.766 4.340 0.000 0.000 0.275 33 L C -2.045 174.819 176.870 -0.010 0.000 1.036 33 L CA -2.453 52.380 54.840 -0.011 0.000 0.807 33 L CB 0.898 42.947 42.059 -0.017 0.000 1.231 33 L HN -0.239 nan 8.230 nan 0.000 0.438 34 P HA 0.005 nan 4.420 nan 0.000 0.266 34 P C -0.932 176.364 177.300 -0.007 0.000 1.195 34 P CA -0.031 63.067 63.100 -0.003 0.000 0.768 34 P CB 0.376 32.078 31.700 0.002 0.000 0.838 35 E N 1.410 121.606 120.200 -0.006 0.000 2.028 35 E HA 0.174 4.524 4.350 0.000 0.000 0.275 35 E C -0.003 176.594 176.600 -0.005 0.000 1.171 35 E CA -0.159 56.235 56.400 -0.010 0.000 1.186 35 E CB -0.165 29.530 29.700 -0.009 0.000 1.256 35 E HN 0.456 nan 8.360 nan 0.000 0.474 36 T N -2.050 112.502 114.554 -0.003 0.000 2.903 36 T HA 0.317 4.667 4.350 0.000 0.000 0.299 36 T C -2.407 172.296 174.700 0.005 0.000 1.093 36 T CA -2.381 59.723 62.100 0.007 0.000 1.002 36 T CB 2.146 71.025 68.868 0.019 0.000 1.127 36 T HN -0.204 nan 8.240 nan 0.000 0.488 37 P HA -0.061 nan 4.420 nan 0.000 0.215 37 P C 1.102 178.431 177.300 0.048 0.000 1.153 37 P CA 1.158 64.265 63.100 0.012 0.000 0.853 37 P CB 0.106 31.820 31.700 0.024 0.000 0.788 38 E N -0.406 119.840 120.200 0.078 0.000 2.077 38 E HA -0.127 4.223 4.350 0.000 0.000 0.193 38 E C 2.123 178.763 176.600 0.067 0.000 0.989 38 E CA 1.489 57.956 56.400 0.111 0.000 0.800 38 E CB -1.040 28.719 29.700 0.097 0.000 0.746 38 E HN 0.152 nan 8.360 nan 0.000 0.452 39 A N 0.982 123.819 122.820 0.029 0.000 1.930 39 A HA -0.024 4.296 4.320 0.000 0.000 0.217 39 A C 2.349 179.921 177.584 -0.021 0.000 1.175 39 A CA 1.630 53.668 52.037 0.001 0.000 0.627 39 A CB -0.736 18.261 19.000 -0.005 0.000 0.815 39 A HN 0.284 nan 8.150 nan 0.000 0.443 40 A N -1.180 121.618 122.820 -0.036 0.000 1.898 40 A HA -0.172 4.148 4.320 0.000 0.000 0.216 40 A C 2.019 179.521 177.584 -0.137 0.000 1.181 40 A CA 1.737 53.711 52.037 -0.105 0.000 0.620 40 A CB -0.968 17.951 19.000 -0.135 0.000 0.819 40 A HN 0.803 nan 8.150 nan 0.000 0.442 41 H N -0.514 118.437 119.070 -0.197 0.000 2.290 41 H HA -0.101 4.455 4.556 0.000 0.000 0.298 41 H C 2.358 177.630 175.328 -0.093 0.000 1.087 41 H CA 1.208 57.149 56.048 -0.179 0.000 1.291 41 H CB -0.017 29.746 29.762 0.001 0.000 1.369 41 H HN 0.462 nan 8.280 nan 0.000 0.492 42 A N 1.379 124.197 122.820 -0.003 0.000 1.883 42 A HA -0.173 4.147 4.320 0.000 0.000 0.217 42 A C 2.563 180.125 177.584 -0.036 0.000 1.186 42 A CA 1.460 53.462 52.037 -0.059 0.000 0.624 42 A CB -0.983 17.986 19.000 -0.051 0.000 0.822 42 A HN 0.543 nan 8.150 nan 0.000 0.444 43 L N -0.504 120.688 121.223 -0.051 0.000 2.012 43 L HA -0.183 4.157 4.340 0.000 0.000 0.210 43 L C 2.515 179.338 176.870 -0.077 0.000 1.073 43 L CA 1.576 56.379 54.840 -0.062 0.000 0.748 43 L CB -0.355 41.657 42.059 -0.078 0.000 0.891 43 L HN 0.448 nan 8.230 nan 0.000 0.431 44 L N -0.681 120.455 121.223 -0.145 0.000 2.127 44 L HA -0.277 4.063 4.340 0.000 0.000 0.211 44 L C 2.496 179.364 176.870 -0.003 0.000 1.089 44 L CA 1.075 55.796 54.840 -0.198 0.000 0.757 44 L CB -0.407 41.280 42.059 -0.620 0.000 0.899 44 L HN 0.333 nan 8.230 nan 0.000 0.434 45 L N -0.828 120.435 121.223 0.067 0.000 2.072 45 L HA -0.158 4.182 4.340 0.000 0.000 0.205 45 L C 2.763 179.668 176.870 0.059 0.000 1.079 45 L CA 1.087 55.997 54.840 0.116 0.000 0.752 45 L CB -0.341 41.774 42.059 0.093 0.000 0.906 45 L HN 0.137 nan 8.230 nan 0.000 0.436 46 R N -0.097 120.415 120.500 0.021 0.000 2.120 46 R HA -0.080 4.261 4.340 0.000 0.000 0.234 46 R C 2.090 178.398 176.300 0.013 0.000 1.123 46 R CA 1.097 57.204 56.100 0.011 0.000 0.975 46 R CB -0.127 30.171 30.300 -0.004 0.000 0.866 46 R HN 0.303 nan 8.270 nan 0.000 0.446 47 L N -1.277 119.950 121.223 0.006 0.000 2.509 47 L HA 0.194 4.534 4.340 0.000 0.000 0.222 47 L C 1.187 178.074 176.870 0.027 0.000 1.123 47 L CA 0.535 55.379 54.840 0.006 0.000 0.856 47 L CB 0.104 42.154 42.059 -0.015 0.000 0.985 47 L HN 0.497 nan 8.230 nan 0.000 0.456 48 G N -0.386 108.445 108.800 0.051 0.000 2.157 48 G HA2 -0.266 3.694 3.960 0.000 0.000 0.248 48 G HA3 -0.266 3.694 3.960 0.000 0.000 0.248 48 G C 0.739 175.702 174.900 0.105 0.000 0.979 48 G CA 0.386 45.532 45.100 0.077 0.000 0.650 48 G HN 0.123 nan 8.290 nan 0.000 0.529 49 V N -1.450 118.525 119.914 0.102 0.000 2.453 49 V HA 0.131 4.251 4.120 0.000 0.000 0.247 49 V C 1.305 177.613 176.094 0.357 0.000 1.048 49 V CA 1.693 64.080 62.300 0.145 0.000 1.049 49 V CB -0.279 31.561 31.823 0.028 0.000 0.672 49 V HN 0.402 nan 8.190 nan 0.000 0.457 50 W N 0.914 122.238 121.300 0.040 0.000 2.689 50 W HA 0.530 5.190 4.660 0.000 0.000 0.340 50 W C -0.296 176.265 176.519 0.069 0.000 1.060 50 W CA -1.934 55.441 57.345 0.050 0.000 1.218 50 W CB 0.853 30.353 29.460 0.067 0.000 1.410 50 W HN 0.174 nan 8.180 nan 0.000 0.528 51 D N 0.039 120.582 120.400 0.237 0.000 2.437 51 D HA 0.143 4.783 4.640 0.000 0.000 0.259 51 D C 0.350 176.768 176.300 0.197 0.000 1.118 51 D CA -0.377 53.725 54.000 0.170 0.000 1.017 51 D CB 0.929 41.791 40.800 0.102 0.000 1.120 51 D HN 0.543 nan 8.370 nan 0.000 0.541 52 E N -0.436 119.869 120.200 0.176 0.000 2.478 52 E HA -0.011 4.339 4.350 0.000 0.000 0.198 52 E C 1.477 178.242 176.600 0.275 0.000 1.046 52 E CA 0.529 57.058 56.400 0.214 0.000 0.870 52 E CB -0.026 29.751 29.700 0.128 0.000 0.818 52 E HN 0.551 nan 8.360 nan 0.000 0.527 53 A N 1.615 124.552 122.820 0.194 0.000 1.970 53 A HA -0.071 4.249 4.320 0.000 0.000 0.216 53 A C 1.525 179.170 177.584 0.102 0.000 1.170 53 A CA 0.123 52.293 52.037 0.221 0.000 0.645 53 A CB -0.154 18.928 19.000 0.137 0.000 0.816 53 A HN 0.035 nan 8.150 nan 0.000 0.447 54 R N 1.385 121.843 120.500 -0.070 0.000 2.489 54 R HA 0.246 4.586 4.340 0.000 0.000 0.287 54 R C -0.691 175.325 176.300 -0.474 0.000 1.053 54 R CA 0.866 56.755 56.100 -0.353 0.000 1.036 54 R CB 0.259 30.120 30.300 -0.732 0.000 0.966 54 R HN 0.373 nan 8.270 nan 0.000 0.432 55 T N 2.617 116.865 114.554 -0.509 0.000 2.792 55 T HA 0.373 4.723 4.350 0.000 0.000 0.280 55 T C -1.828 172.577 174.700 -0.490 0.000 0.990 55 T CA -1.574 60.197 62.100 -0.549 0.000 0.960 55 T CB 1.985 70.650 68.868 -0.338 0.000 0.939 55 T HN 0.523 nan 8.240 nan 0.000 0.439 56 P HA 0.149 nan 4.420 nan 0.000 0.261 56 P C 0.347 177.401 177.300 -0.411 0.000 1.268 56 P CA -0.146 62.671 63.100 -0.471 0.000 0.833 56 P CB -0.005 31.462 31.700 -0.388 0.000 1.231 57 Y N 1.285 121.553 120.300 -0.054 0.000 2.242 57 Y HA -0.047 4.503 4.550 0.000 0.000 0.291 57 Y C 2.842 178.734 175.900 -0.014 0.000 1.137 57 Y CA 1.265 59.358 58.100 -0.013 0.000 1.181 57 Y CB -1.574 36.886 38.460 0.001 0.000 0.989 57 Y HN -0.007 nan 8.280 nan 0.000 0.527 58 A N 0.193 123.058 122.820 0.075 0.000 1.877 58 A HA -0.182 4.138 4.320 0.000 0.000 0.216 58 A C 1.986 179.576 177.584 0.010 0.000 1.186 58 A CA 1.980 54.040 52.037 0.038 0.000 0.620 58 A CB -0.746 18.256 19.000 0.005 0.000 0.822 58 A HN 0.334 nan 8.150 nan 0.000 0.443 59 D N -0.455 119.930 120.400 -0.024 0.000 2.097 59 D HA -0.134 4.506 4.640 0.000 0.000 0.195 59 D C 2.202 178.500 176.300 -0.003 0.000 0.989 59 D CA 1.218 55.205 54.000 -0.022 0.000 0.827 59 D CB -0.350 40.428 40.800 -0.036 0.000 0.966 59 D HN 0.425 nan 8.370 nan 0.000 0.456 60 R N 0.062 120.561 120.500 -0.001 0.000 2.105 60 R HA -0.036 4.304 4.340 0.000 0.000 0.239 60 R C 2.188 178.513 176.300 0.042 0.000 1.135 60 R CA 0.674 56.788 56.100 0.024 0.000 0.967 60 R CB -0.239 30.086 30.300 0.041 0.000 0.861 60 R HN 0.214 nan 8.270 nan 0.000 0.442 61 L N 0.129 121.385 121.223 0.055 0.000 2.591 61 L HA 0.141 4.481 4.340 0.000 0.000 0.228 61 L C 0.293 177.178 176.870 0.025 0.000 1.133 61 L CA 0.098 54.967 54.840 0.049 0.000 0.880 61 L CB 0.010 42.108 42.059 0.064 0.000 1.033 61 L HN 0.169 nan 8.230 nan 0.000 0.450 62 R N -0.538 119.971 120.500 0.015 0.000 3.651 62 R HA -0.164 4.176 4.340 0.000 0.000 0.292 62 R C 0.297 176.594 176.300 -0.005 0.000 1.161 62 R CA 0.390 56.491 56.100 0.002 0.000 0.787 62 R CB -1.940 28.360 30.300 0.000 0.000 1.249 62 R HN 0.362 nan 8.270 nan 0.000 0.476 63 A N 0.712 123.532 122.820 -0.001 0.000 2.354 63 A HA 0.688 5.008 4.320 0.000 0.000 0.269 63 A C 0.727 178.298 177.584 -0.021 0.000 1.109 63 A CA 0.205 52.237 52.037 -0.009 0.000 0.800 63 A CB 0.627 19.628 19.000 0.002 0.000 1.045 63 A HN 0.433 nan 8.150 nan 0.000 0.489 64 A N 1.786 124.586 122.820 -0.032 0.000 2.492 64 A HA 0.451 4.771 4.320 0.000 0.000 0.254 64 A C 0.609 178.169 177.584 -0.041 0.000 1.091 64 A CA -0.119 51.896 52.037 -0.038 0.000 0.768 64 A CB -0.232 18.741 19.000 -0.046 0.000 1.028 64 A HN 0.901 nan 8.150 nan 0.000 0.498 65 L N 1.807 123.006 121.223 -0.039 0.000 2.693 65 L HA 0.104 4.444 4.340 0.000 0.000 0.235 65 L C 0.639 177.482 176.870 -0.044 0.000 1.127 65 L CA 0.009 54.823 54.840 -0.043 0.000 0.914 65 L CB -0.261 41.772 42.059 -0.044 0.000 1.193 65 L HN 0.944 nan 8.230 nan 0.000 0.502 66 N N 0.310 118.986 118.700 -0.041 0.000 2.456 66 N HA 0.511 5.251 4.740 0.000 0.000 0.288 66 N C -0.115 175.370 175.510 -0.041 0.000 1.059 66 N CA -0.504 52.523 53.050 -0.038 0.000 0.946 66 N CB 1.412 39.879 38.487 -0.033 0.000 1.150 66 N HN -0.020 nan 8.380 nan 0.000 0.479 67 A N 1.798 124.595 122.820 -0.039 0.000 2.445 67 A HA 0.218 4.538 4.320 0.000 0.000 0.242 67 A C 0.219 177.781 177.584 -0.036 0.000 1.075 67 A CA -0.696 51.318 52.037 -0.040 0.000 0.777 67 A CB 0.187 19.167 19.000 -0.034 0.000 1.013 67 A HN 0.612 nan 8.150 nan 0.000 0.493 68 V N 2.794 122.685 119.914 -0.038 0.000 2.421 68 V HA 0.054 4.174 4.120 0.000 0.000 0.271 68 V C 0.467 176.544 176.094 -0.029 0.000 1.031 68 V CA 0.455 62.734 62.300 -0.035 0.000 1.032 68 V CB 0.005 31.807 31.823 -0.036 0.000 1.009 68 V HN 0.892 nan 8.190 nan 0.000 0.477 69 E N 5.402 125.586 120.200 -0.027 0.000 2.360 69 E HA 0.338 4.688 4.350 0.000 0.000 0.253 69 E C -1.064 175.521 176.600 -0.024 0.000 1.189 69 E CA -0.486 55.900 56.400 -0.024 0.000 1.252 69 E CB 0.489 30.177 29.700 -0.022 0.000 1.408 69 E HN 0.390 nan 8.360 nan 0.000 0.464 70 L N 2.051 123.258 121.223 -0.026 0.000 2.330 70 L HA 0.440 4.780 4.340 0.000 0.000 0.271 70 L C -2.112 174.741 176.870 -0.029 0.000 1.013 70 L CA -2.726 52.098 54.840 -0.027 0.000 0.816 70 L CB 0.371 42.413 42.059 -0.028 0.000 1.287 70 L HN 0.124 nan 8.230 nan 0.000 0.435 71 P HA 0.142 nan 4.420 nan 0.000 0.268 71 P C -0.945 176.329 177.300 -0.043 0.000 1.204 71 P CA -0.093 62.988 63.100 -0.032 0.000 0.768 71 P CB 0.846 32.529 31.700 -0.029 0.000 0.842 72 V N 5.703 125.586 119.914 -0.051 0.000 2.459 72 V HA 0.317 4.437 4.120 0.000 0.000 0.295 72 V C -1.870 174.168 176.094 -0.093 0.000 1.029 72 V CA -1.738 60.517 62.300 -0.075 0.000 0.874 72 V CB 1.056 32.833 31.823 -0.078 0.000 0.985 72 V HN 0.546 nan 8.190 nan 0.000 0.438 73 P HA 0.268 nan 4.420 nan 0.000 0.272 73 P C -0.782 176.406 177.300 -0.186 0.000 1.240 73 P CA -0.367 62.657 63.100 -0.127 0.000 0.791 73 P CB 0.546 32.169 31.700 -0.128 0.000 0.978 74 D N -0.093 120.221 120.400 -0.144 0.000 2.277 74 D HA 0.280 4.921 4.640 0.000 0.000 0.250 74 D C 0.009 176.216 176.300 -0.154 0.000 1.032 74 D CA -0.191 53.725 54.000 -0.139 0.000 0.947 74 D CB 0.518 41.294 40.800 -0.040 0.000 1.159 74 D HN 0.150 nan 8.370 nan 0.000 0.460 75 F N 0.733 120.667 119.950 -0.028 0.000 2.506 75 F HA 0.013 4.540 4.527 0.000 0.000 0.351 75 F C 1.325 177.111 175.800 -0.024 0.000 1.136 75 F CA -0.114 57.872 58.000 -0.024 0.000 1.298 75 F CB 0.345 39.326 39.000 -0.031 0.000 1.145 75 F HN 0.064 nan 8.300 nan 0.000 0.593 76 D N 4.996 125.504 120.400 0.180 0.000 2.336 76 D HA 0.113 4.753 4.640 0.000 0.000 0.249 76 D C -1.368 174.978 176.300 0.076 0.000 1.213 76 D CA -2.169 51.886 54.000 0.090 0.000 0.870 76 D CB 0.948 41.786 40.800 0.063 0.000 1.076 76 D HN 0.169 nan 8.370 nan 0.000 0.483 77 P HA -0.102 nan 4.420 nan 0.000 0.220 77 P C 0.855 178.160 177.300 0.007 0.000 1.148 77 P CA 0.556 63.668 63.100 0.020 0.000 0.803 77 P CB 0.263 31.969 31.700 0.011 0.000 0.782 78 A N 0.075 122.902 122.820 0.012 0.000 2.119 78 A HA -0.057 4.263 4.320 0.000 0.000 0.216 78 A C 1.343 178.931 177.584 0.005 0.000 1.152 78 A CA 0.021 52.061 52.037 0.005 0.000 0.708 78 A CB -0.954 18.049 19.000 0.005 0.000 0.805 78 A HN 0.253 nan 8.150 nan 0.000 0.460 79 E N 1.454 121.663 120.200 0.014 0.000 2.417 79 E HA 0.023 4.373 4.350 0.000 0.000 0.261 79 E C -0.225 176.375 176.600 0.000 0.000 1.000 79 E CA -0.228 56.180 56.400 0.014 0.000 0.919 79 E CB 0.320 30.039 29.700 0.032 0.000 0.955 79 E HN 0.342 nan 8.360 nan 0.000 0.455 80 E N 4.174 124.374 120.200 -0.001 0.000 2.344 80 E HA 0.086 4.436 4.350 0.000 0.000 0.270 80 E C -0.588 176.005 176.600 -0.011 0.000 1.021 80 E CA 0.364 56.759 56.400 -0.008 0.000 0.887 80 E CB 0.647 30.346 29.700 -0.003 0.000 0.997 80 E HN 0.468 nan 8.360 nan 0.000 0.429 81 R N 2.372 122.857 120.500 -0.025 0.000 2.725 81 R HA 0.326 4.666 4.340 0.000 0.000 0.277 81 R C -0.831 175.444 176.300 -0.040 0.000 0.987 81 R CA -1.110 54.968 56.100 -0.037 0.000 0.901 81 R CB 1.284 31.543 30.300 -0.069 0.000 1.207 81 R HN 0.295 nan 8.270 nan 0.000 0.463 82 L N 2.441 123.641 121.223 -0.038 0.000 2.433 82 L HA 0.119 4.459 4.340 0.000 0.000 0.275 82 L C -0.278 176.536 176.870 -0.093 0.000 1.128 82 L CA 0.351 55.170 54.840 -0.036 0.000 0.875 82 L CB 0.354 42.413 42.059 0.000 0.000 1.171 82 L HN 0.463 nan 8.230 nan 0.000 0.463 83 D N 5.375 125.738 120.400 -0.063 0.000 2.339 83 D HA 0.104 4.744 4.640 0.000 0.000 0.256 83 D C 0.242 176.509 176.300 -0.056 0.000 1.214 83 D CA 0.147 54.102 54.000 -0.075 0.000 0.877 83 D CB 0.716 41.495 40.800 -0.036 0.000 1.111 83 D HN 0.661 nan 8.370 nan 0.000 0.478 84 L N 3.487 124.581 121.223 -0.215 0.000 3.014 84 L HA 0.056 4.396 4.340 0.000 0.000 0.263 84 L C 2.091 178.689 176.870 -0.454 0.000 1.207 84 L CA -0.163 54.432 54.840 -0.408 0.000 1.017 84 L CB 0.433 42.092 42.059 -0.668 0.000 1.360 84 L HN 0.352 nan 8.230 nan 0.000 0.560 85 T N -0.406 114.013 114.554 -0.225 0.000 3.025 85 T HA -0.167 4.183 4.350 0.000 0.000 0.270 85 T C 1.757 176.364 174.700 -0.155 0.000 1.126 85 T CA 1.317 63.300 62.100 -0.196 0.000 1.105 85 T CB -0.268 68.531 68.868 -0.116 0.000 0.884 85 T HN 0.556 nan 8.240 nan 0.000 0.522 86 H N -0.433 118.554 119.070 -0.137 0.000 2.548 86 H HA 0.297 4.853 4.556 0.000 0.000 0.265 86 H C 0.485 175.757 175.328 -0.093 0.000 0.969 86 H CA -0.200 55.789 56.048 -0.098 0.000 1.155 86 H CB -0.355 29.364 29.762 -0.071 0.000 1.394 86 H HN 0.357 nan 8.280 nan 0.000 0.570 87 L N 2.255 123.146 121.223 -0.553 0.000 2.325 87 L HA 0.377 4.717 4.340 0.000 0.000 0.279 87 L C -2.400 174.323 176.870 -0.244 0.000 1.054 87 L CA -2.306 52.318 54.840 -0.360 0.000 0.804 87 L CB 1.542 43.348 42.059 -0.421 0.000 1.200 87 L HN -0.097 nan 8.230 nan 0.000 0.436 88 P HA 0.132 nan 4.420 nan 0.000 0.276 88 P C -1.023 176.139 177.300 -0.230 0.000 1.264 88 P CA 0.065 63.062 63.100 -0.172 0.000 0.769 88 P CB 0.672 32.410 31.700 0.064 0.000 0.840 89 T N 4.135 118.388 114.554 -0.502 0.000 2.861 89 T HA 0.632 4.982 4.350 0.000 0.000 0.287 89 T C -0.749 173.612 174.700 -0.566 0.000 1.003 89 T CA -0.200 61.709 62.100 -0.318 0.000 0.977 89 T CB 0.563 69.298 68.868 -0.221 0.000 0.996 89 T HN 0.007 nan 8.240 nan 0.000 0.448 90 F N 1.158 121.107 119.950 -0.002 0.000 2.547 90 F HA 0.665 5.192 4.527 0.000 0.000 0.316 90 F C 0.172 175.993 175.800 0.036 0.000 1.121 90 F CA -1.224 56.792 58.000 0.027 0.000 0.911 90 F CB 1.608 40.652 39.000 0.073 0.000 1.179 90 F HN 0.645 nan 8.300 nan 0.000 0.443 91 A N 4.832 127.758 122.820 0.177 0.000 2.294 91 A HA 0.749 5.069 4.320 0.000 0.000 0.316 91 A C -0.616 177.005 177.584 0.062 0.000 1.359 91 A CA -0.371 51.721 52.037 0.092 0.000 0.956 91 A CB -0.372 18.651 19.000 0.038 0.000 1.155 91 A HN 0.723 nan 8.150 nan 0.000 0.544 92 I N 3.272 123.847 120.570 0.007 0.000 2.355 92 I HA 0.353 4.523 4.170 0.000 0.000 0.288 92 I C -0.593 175.200 176.117 -0.540 0.000 0.999 92 I CA -0.253 60.939 61.300 -0.179 0.000 1.163 92 I CB 1.376 39.339 38.000 -0.061 0.000 1.316 92 I HN 0.594 nan 8.210 nan 0.000 0.454 93 D N 4.178 124.188 120.400 -0.650 0.000 2.614 93 D HA 0.272 4.912 4.640 0.000 0.000 0.264 93 D C -1.087 174.878 176.300 -0.558 0.000 1.092 93 D CA -0.626 52.985 54.000 -0.648 0.000 1.071 93 D CB 1.668 42.335 40.800 -0.221 0.000 1.443 93 D HN 0.314 nan 8.370 nan 0.000 0.528 94 D N 1.015 121.365 120.400 -0.084 0.000 2.423 94 D HA 0.044 4.684 4.640 0.000 0.000 0.238 94 D C 0.068 176.371 176.300 0.005 0.000 1.142 94 D CA 0.532 54.605 54.000 0.122 0.000 0.884 94 D CB 0.613 41.487 40.800 0.124 0.000 1.199 94 D HN 0.172 nan 8.370 nan 0.000 0.438 95 E N -0.078 120.137 120.200 0.024 0.000 2.415 95 E HA 0.262 4.613 4.350 0.000 0.000 0.263 95 E C 1.052 177.621 176.600 -0.051 0.000 0.995 95 E CA 0.384 56.764 56.400 -0.033 0.000 0.915 95 E CB 0.444 30.116 29.700 -0.047 0.000 0.951 95 E HN 0.689 nan 8.360 nan 0.000 0.449 96 G N 3.194 111.957 108.800 -0.062 0.000 2.175 96 G HA2 -0.279 3.681 3.960 0.000 0.000 0.244 96 G HA3 -0.279 3.681 3.960 0.000 0.000 0.244 96 G C 0.165 175.043 174.900 -0.036 0.000 0.982 96 G CA 0.159 45.225 45.100 -0.057 0.000 0.641 96 G HN 0.696 nan 8.290 nan 0.000 0.527 97 N N 0.077 118.753 118.700 -0.040 0.000 2.444 97 N HA 0.281 5.021 4.740 0.000 0.000 0.255 97 N C 0.651 176.148 175.510 -0.022 0.000 1.255 97 N CA 0.581 53.609 53.050 -0.037 0.000 0.933 97 N CB 1.341 39.798 38.487 -0.050 0.000 1.143 97 N HN 0.450 nan 8.380 nan 0.000 0.453 98 Q N -0.654 119.146 119.800 0.000 0.000 2.254 98 Q HA 0.112 4.452 4.340 0.000 0.000 0.259 98 Q C -1.020 174.989 176.000 0.014 0.000 0.815 98 Q CA 0.111 55.919 55.803 0.009 0.000 0.961 98 Q CB 0.721 29.475 28.738 0.027 0.000 1.140 98 Q HN 0.636 nan 8.270 nan 0.000 0.502 99 D N 2.159 122.578 120.400 0.032 0.000 2.358 99 D HA 0.291 4.931 4.640 0.000 0.000 0.253 99 D C -2.638 173.684 176.300 0.037 0.000 1.288 99 D CA -1.285 52.736 54.000 0.036 0.000 0.950 99 D CB 1.895 42.731 40.800 0.060 0.000 1.197 99 D HN 0.074 nan 8.370 nan 0.000 0.550 100 P HA 0.122 nan 4.420 nan 0.000 0.267 100 P C 0.472 177.797 177.300 0.042 0.000 1.209 100 P CA -0.066 63.048 63.100 0.024 0.000 0.763 100 P CB 1.463 33.169 31.700 0.011 0.000 0.816 101 D N 0.899 121.329 120.400 0.050 0.000 2.301 101 D HA -0.011 4.629 4.640 0.000 0.000 0.206 101 D C 0.227 176.572 176.300 0.075 0.000 0.979 101 D CA 1.023 55.058 54.000 0.057 0.000 0.874 101 D CB 0.559 41.392 40.800 0.055 0.000 0.968 101 D HN 0.568 nan 8.370 nan 0.000 0.510 102 D N -0.655 119.791 120.400 0.077 0.000 2.552 102 D HA 0.565 5.205 4.640 0.000 0.000 0.239 102 D C -1.117 175.243 176.300 0.100 0.000 1.139 102 D CA -0.865 53.194 54.000 0.099 0.000 0.914 102 D CB 2.827 43.688 40.800 0.101 0.000 1.461 102 D HN -0.106 nan 8.370 nan 0.000 0.462 103 A N 0.209 123.109 122.820 0.132 0.000 2.572 103 A HA 0.634 4.954 4.320 0.000 0.000 0.295 103 A C -0.852 176.828 177.584 0.161 0.000 1.072 103 A CA -0.573 51.555 52.037 0.153 0.000 0.691 103 A CB 1.772 20.862 19.000 0.150 0.000 1.291 103 A HN 0.871 nan 8.150 nan 0.000 0.404 104 V N -1.396 118.619 119.914 0.168 0.000 3.001 104 V HA 1.065 5.185 4.120 0.000 0.000 0.314 104 V C 0.076 176.267 176.094 0.161 0.000 1.099 104 V CA 0.000 62.373 62.300 0.121 0.000 0.989 104 V CB 1.379 33.263 31.823 0.101 0.000 1.040 104 V HN 2.159 nan 8.190 nan 0.000 0.434 105 G N 0.417 109.302 108.800 0.143 0.000 2.576 105 G HA2 0.807 4.767 3.960 0.000 0.000 0.290 105 G HA3 0.807 4.767 3.960 0.000 0.000 0.290 105 G C -1.226 173.798 174.900 0.206 0.000 1.442 105 G CA -0.019 45.181 45.100 0.168 0.000 0.792 105 G HN 2.047 nan 8.290 nan 0.000 0.491 106 V N -3.120 116.906 119.914 0.185 0.000 3.159 106 V HA 0.954 5.074 4.120 0.000 0.000 0.308 106 V C -1.156 175.057 176.094 0.200 0.000 1.190 106 V CA -1.099 61.307 62.300 0.177 0.000 1.037 106 V CB 2.073 33.938 31.823 0.069 0.000 1.060 106 V HN 0.861 nan 8.190 nan 0.000 0.437 107 E N 0.938 121.239 120.200 0.167 0.000 2.290 107 E HA 0.315 4.665 4.350 0.000 0.000 0.274 107 E C -1.927 174.725 176.600 0.086 0.000 0.889 107 E CA -0.633 55.860 56.400 0.155 0.000 0.760 107 E CB 2.298 32.145 29.700 0.245 0.000 1.206 107 E HN 0.912 nan 8.360 nan 0.000 0.419 108 D N 3.347 123.790 120.400 0.073 0.000 2.348 108 D HA 0.108 4.748 4.640 0.000 0.000 0.253 108 D C 0.322 176.652 176.300 0.050 0.000 1.161 108 D CA 0.039 54.068 54.000 0.049 0.000 0.876 108 D CB 1.000 41.826 40.800 0.044 0.000 1.160 108 D HN 0.474 nan 8.370 nan 0.000 0.459 109 L N 2.985 124.228 121.223 0.034 0.000 2.667 109 L HA 0.293 4.633 4.340 0.000 0.000 0.232 109 L C 1.250 178.135 176.870 0.025 0.000 1.138 109 L CA -0.035 54.824 54.840 0.031 0.000 0.921 109 L CB -0.332 41.737 42.059 0.017 0.000 1.180 109 L HN 0.647 nan 8.230 nan 0.000 0.487 110 G N -0.180 108.635 108.800 0.024 0.000 2.785 110 G HA2 0.022 3.982 3.960 0.000 0.000 0.685 110 G HA3 0.022 3.982 3.960 0.000 0.000 0.685 110 G C 0.658 175.567 174.900 0.015 0.000 1.480 110 G CA -0.302 44.810 45.100 0.020 0.000 0.915 110 G HN 0.595 nan 8.290 nan 0.000 0.576 111 G N -0.738 108.070 108.800 0.013 0.000 2.160 111 G HA2 0.347 4.308 3.960 0.000 0.000 0.251 111 G HA3 0.347 4.308 3.960 0.000 0.000 0.251 111 G C 1.934 176.839 174.900 0.009 0.000 1.008 111 G CA 0.915 46.022 45.100 0.011 0.000 0.724 111 G HN 3.183 nan 8.290 nan 0.000 0.514 112 G N -1.589 107.217 108.800 0.009 0.000 2.234 112 G HA2 -0.265 3.695 3.960 0.000 0.000 0.260 112 G HA3 -0.265 3.695 3.960 0.000 0.000 0.260 112 G C 0.528 175.431 174.900 0.005 0.000 0.987 112 G CA 0.622 45.726 45.100 0.007 0.000 0.625 112 G HN 1.360 nan 8.290 nan 0.000 0.532 113 L N 1.713 122.940 121.223 0.005 0.000 2.349 113 L HA 0.542 4.882 4.340 0.000 0.000 0.275 113 L C 0.212 177.082 176.870 -0.000 0.000 1.115 113 L CA 0.108 54.949 54.840 0.001 0.000 0.820 113 L CB 1.298 43.357 42.059 0.001 0.000 1.135 113 L HN 0.155 nan 8.230 nan 0.000 0.445 114 T N 3.424 117.973 114.554 -0.009 0.000 2.861 114 T HA 0.364 4.714 4.350 0.000 0.000 0.287 114 T C -0.465 174.209 174.700 -0.043 0.000 1.003 114 T CA -0.614 61.479 62.100 -0.011 0.000 0.977 114 T CB 1.747 70.612 68.868 -0.005 0.000 0.996 114 T HN 0.466 nan 8.240 nan 0.000 0.448 115 R N 2.775 123.240 120.500 -0.060 0.000 2.229 115 R HA 0.564 4.904 4.340 0.000 0.000 0.328 115 R C -0.941 175.248 176.300 -0.184 0.000 1.009 115 R CA -0.759 55.237 56.100 -0.173 0.000 0.864 115 R CB 0.315 30.481 30.300 -0.223 0.000 1.085 115 R HN 0.441 nan 8.270 nan 0.000 0.453 116 L N 5.818 126.907 121.223 -0.223 0.000 2.289 116 L HA 0.477 4.817 4.340 0.000 0.000 0.285 116 L C -1.652 175.066 176.870 -0.255 0.000 1.049 116 L CA -0.234 54.523 54.840 -0.139 0.000 0.804 116 L CB 0.797 42.814 42.059 -0.070 0.000 1.195 116 L HN 0.637 nan 8.230 nan 0.000 0.428 117 W N 4.964 126.190 121.300 -0.123 0.000 2.475 117 W HA 0.630 5.290 4.660 0.000 0.000 0.317 117 W C -0.744 175.521 176.519 -0.422 0.000 1.046 117 W CA -0.816 56.355 57.345 -0.289 0.000 1.215 117 W CB 1.988 31.259 29.460 -0.315 0.000 1.335 117 W HN 0.386 nan 8.180 nan 0.000 0.471 118 V N 6.303 126.129 119.914 -0.145 0.000 2.349 118 V HA 0.375 4.495 4.120 0.000 0.000 0.284 118 V C -0.612 175.392 176.094 -0.151 0.000 1.014 118 V CA -0.629 61.593 62.300 -0.129 0.000 0.826 118 V CB 0.144 31.961 31.823 -0.011 0.000 1.009 118 V HN 0.480 nan 8.190 nan 0.000 0.431 119 H N 5.087 124.234 119.070 0.128 0.000 2.473 119 H HA 0.657 5.213 4.556 0.000 0.000 0.327 119 H C -0.439 174.934 175.328 0.076 0.000 1.105 119 H CA -0.329 55.764 56.048 0.076 0.000 1.280 119 H CB 1.951 31.715 29.762 0.003 0.000 1.450 119 H HN 0.495 nan 8.280 nan 0.000 0.492 120 V N 1.214 121.252 119.914 0.207 0.000 2.823 120 V HA 0.419 4.539 4.120 0.000 0.000 0.312 120 V C 0.412 176.620 176.094 0.191 0.000 1.072 120 V CA -1.324 61.096 62.300 0.201 0.000 0.937 120 V CB 1.823 33.819 31.823 0.288 0.000 1.013 120 V HN 0.989 nan 8.190 nan 0.000 0.430 121 A N 1.490 124.391 122.820 0.135 0.000 2.584 121 A HA 0.081 4.401 4.320 0.000 0.000 0.239 121 A C 0.488 178.175 177.584 0.171 0.000 1.043 121 A CA 0.307 52.413 52.037 0.115 0.000 0.756 121 A CB -0.242 18.805 19.000 0.080 0.000 0.963 121 A HN 0.888 nan 8.150 nan 0.000 0.511 122 D N 2.962 123.483 120.400 0.203 0.000 2.801 122 D HA 0.234 4.874 4.640 0.000 0.000 0.232 122 D C 1.197 177.692 176.300 0.325 0.000 1.128 122 D CA 0.018 54.188 54.000 0.284 0.000 1.003 122 D CB -0.216 40.717 40.800 0.221 0.000 1.110 122 D HN 0.176 nan 8.370 nan 0.000 0.477 123 V N 1.294 121.311 119.914 0.171 0.000 2.407 123 V HA -0.225 3.895 4.120 0.000 0.000 0.248 123 V C 2.470 178.595 176.094 0.051 0.000 1.055 123 V CA 1.830 64.168 62.300 0.063 0.000 1.049 123 V CB -0.609 31.173 31.823 -0.069 0.000 0.662 123 V HN 0.508 nan 8.190 nan 0.000 0.455 124 A N -0.102 122.781 122.820 0.106 0.000 2.172 124 A HA 0.099 4.419 4.320 0.000 0.000 0.216 124 A C 2.299 179.928 177.584 0.076 0.000 1.154 124 A CA 1.415 53.503 52.037 0.086 0.000 0.701 124 A CB -0.474 18.605 19.000 0.133 0.000 0.789 124 A HN 0.554 nan 8.150 nan 0.000 0.465 125 A N -0.570 122.320 122.820 0.116 0.000 2.066 125 A HA 0.184 4.504 4.320 0.000 0.000 0.218 125 A C 1.814 179.372 177.584 -0.043 0.000 1.157 125 A CA 1.194 53.293 52.037 0.103 0.000 0.670 125 A CB -0.273 18.909 19.000 0.302 0.000 0.804 125 A HN 0.489 nan 8.150 nan 0.000 0.453 126 L N -1.347 119.808 121.223 -0.113 0.000 2.701 126 L HA 0.209 4.549 4.340 0.000 0.000 0.238 126 L C -0.459 176.352 176.870 -0.098 0.000 1.106 126 L CA 0.024 54.749 54.840 -0.191 0.000 0.898 126 L CB 0.751 42.615 42.059 -0.324 0.000 1.188 126 L HN 0.022 nan 8.230 nan 0.000 0.508 127 V N 1.159 121.044 119.914 -0.049 0.000 2.327 127 V HA 0.526 4.646 4.120 0.000 0.000 0.272 127 V C 0.336 176.429 176.094 -0.001 0.000 1.019 127 V CA -0.696 61.589 62.300 -0.024 0.000 0.814 127 V CB 1.111 32.923 31.823 -0.019 0.000 1.040 127 V HN 0.182 nan 8.190 nan 0.000 0.440 128 A N 6.334 129.156 122.820 0.002 0.000 2.351 128 A HA 0.769 5.089 4.320 0.000 0.000 0.257 128 A C -2.489 175.115 177.584 0.032 0.000 1.087 128 A CA -1.496 50.551 52.037 0.018 0.000 0.798 128 A CB 0.161 19.170 19.000 0.014 0.000 1.033 128 A HN 0.572 nan 8.150 nan 0.000 0.488 129 P HA 0.147 nan 4.420 nan 0.000 0.262 129 P C -0.159 177.180 177.300 0.065 0.000 1.182 129 P CA 1.132 64.278 63.100 0.076 0.000 0.761 129 P CB 0.303 32.059 31.700 0.094 0.000 0.795 130 D N -0.408 120.029 120.400 0.062 0.000 2.946 130 D HA -0.164 4.476 4.640 0.000 0.000 0.202 130 D C -0.072 176.238 176.300 0.016 0.000 1.068 130 D CA 1.678 55.699 54.000 0.036 0.000 1.011 130 D CB -1.251 39.581 40.800 0.053 0.000 1.105 130 D HN 0.496 nan 8.370 nan 0.000 0.425 131 S N -1.140 114.570 115.700 0.016 0.000 2.589 131 S HA 0.376 4.846 4.470 0.000 0.000 0.265 131 S C -1.554 173.043 174.600 -0.005 0.000 1.342 131 S CA -0.866 57.336 58.200 0.003 0.000 1.005 131 S CB 1.356 64.556 63.200 -0.000 0.000 0.909 131 S HN -0.162 nan 8.310 nan 0.000 0.555 132 P HA -0.075 nan 4.420 nan 0.000 0.216 132 P C 1.308 178.596 177.300 -0.020 0.000 1.150 132 P CA 0.711 63.800 63.100 -0.020 0.000 0.843 132 P CB -0.040 31.647 31.700 -0.020 0.000 0.787 133 L N -0.430 120.784 121.223 -0.015 0.000 2.056 133 L HA -0.167 4.173 4.340 0.000 0.000 0.207 133 L C 2.118 178.995 176.870 0.012 0.000 1.078 133 L CA 1.908 56.741 54.840 -0.011 0.000 0.749 133 L CB -1.706 40.343 42.059 -0.017 0.000 0.901 133 L HN -0.015 nan 8.230 nan 0.000 0.433 134 D N -0.733 119.685 120.400 0.030 0.000 2.117 134 D HA -0.181 4.459 4.640 0.000 0.000 0.197 134 D C 2.270 178.594 176.300 0.040 0.000 0.987 134 D CA 1.178 55.232 54.000 0.091 0.000 0.829 134 D CB 0.011 40.861 40.800 0.083 0.000 0.961 134 D HN 0.257 nan 8.370 nan 0.000 0.460 135 L N -0.094 121.112 121.223 -0.028 0.000 2.046 135 L HA -0.108 4.232 4.340 0.000 0.000 0.208 135 L C 2.494 179.292 176.870 -0.119 0.000 1.077 135 L CA 1.219 56.003 54.840 -0.094 0.000 0.747 135 L CB -0.536 41.480 42.059 -0.071 0.000 0.896 135 L HN 0.086 nan 8.230 nan 0.000 0.432 136 E N 0.628 120.782 120.200 -0.077 0.000 2.106 136 E HA -0.154 4.196 4.350 0.000 0.000 0.192 136 E C 2.109 178.649 176.600 -0.099 0.000 0.984 136 E CA 1.377 57.729 56.400 -0.081 0.000 0.806 136 E CB -0.071 29.597 29.700 -0.053 0.000 0.750 136 E HN 0.347 nan 8.360 nan 0.000 0.458 137 A N 0.750 123.532 122.820 -0.062 0.000 1.933 137 A HA -0.155 4.165 4.320 0.000 0.000 0.218 137 A C 2.289 179.719 177.584 -0.258 0.000 1.175 137 A CA 1.610 53.632 52.037 -0.026 0.000 0.628 137 A CB -0.543 18.554 19.000 0.162 0.000 0.814 137 A HN 0.231 nan 8.150 nan 0.000 0.444 138 R N -0.445 119.718 120.500 -0.563 0.000 2.115 138 R HA -0.060 4.280 4.340 0.000 0.000 0.230 138 R C 2.148 178.130 176.300 -0.530 0.000 1.111 138 R CA 1.186 56.621 56.100 -1.109 0.000 0.976 138 R CB -0.311 29.424 30.300 -0.942 0.000 0.870 138 R HN 0.450 nan 8.270 nan 0.000 0.445 139 A N 0.527 123.162 122.820 -0.309 0.000 2.067 139 A HA -0.085 4.235 4.320 0.000 0.000 0.219 139 A C 1.879 179.374 177.584 -0.149 0.000 1.158 139 A CA 0.918 52.841 52.037 -0.191 0.000 0.661 139 A CB -0.126 18.794 19.000 -0.133 0.000 0.801 139 A HN 0.316 nan 8.150 nan 0.000 0.452 140 R N -2.505 117.903 120.500 -0.153 0.000 2.167 140 R HA 0.256 4.596 4.340 0.000 0.000 0.201 140 R C 1.767 178.014 176.300 -0.088 0.000 1.024 140 R CA 0.679 56.719 56.100 -0.100 0.000 1.053 140 R CB -0.057 30.196 30.300 -0.079 0.000 0.987 140 R HN 0.579 nan 8.270 nan 0.000 0.493 141 G N 0.859 109.587 108.800 -0.120 0.000 2.396 141 G HA2 -0.337 3.623 3.960 0.000 0.000 0.242 141 G HA3 -0.337 3.623 3.960 0.000 0.000 0.242 141 G C 0.162 175.080 174.900 0.030 0.000 1.069 141 G CA 0.236 45.303 45.100 -0.055 0.000 0.633 141 G HN 0.728 nan 8.290 nan 0.000 0.517 142 A N -1.715 121.109 122.820 0.006 0.000 2.601 142 A HA 0.757 5.077 4.320 0.000 0.000 0.291 142 A C -0.195 177.366 177.584 -0.038 0.000 1.075 142 A CA 0.727 52.774 52.037 0.018 0.000 0.671 142 A CB 0.419 19.445 19.000 0.044 0.000 1.277 142 A HN 0.968 nan 8.150 nan 0.000 0.417 143 T N 1.023 115.530 114.554 -0.078 0.000 2.919 143 T HA 0.400 4.750 4.350 0.000 0.000 0.302 143 T C -0.166 174.348 174.700 -0.311 0.000 1.031 143 T CA 0.346 62.293 62.100 -0.255 0.000 1.127 143 T CB 0.276 68.874 68.868 -0.449 0.000 0.952 143 T HN 0.751 nan 8.240 nan 0.000 0.540 144 L N 4.822 125.859 121.223 -0.310 0.000 2.259 144 L HA 0.371 4.711 4.340 0.000 0.000 0.288 144 L C -1.354 175.362 176.870 -0.256 0.000 1.051 144 L CA -0.492 54.236 54.840 -0.186 0.000 0.824 144 L CB -0.177 41.825 42.059 -0.095 0.000 1.206 144 L HN 0.554 nan 8.230 nan 0.000 0.429 145 Y N 6.128 126.442 120.300 0.024 0.000 2.676 145 Y HA 0.394 4.944 4.550 0.000 0.000 0.338 145 Y C 0.040 175.956 175.900 0.027 0.000 1.057 145 Y CA -0.376 57.738 58.100 0.023 0.000 1.314 145 Y CB 0.216 38.693 38.460 0.028 0.000 1.164 145 Y HN 0.445 nan 8.280 nan 0.000 0.509 146 L N 4.724 126.022 121.223 0.125 0.000 2.421 146 L HA 0.312 4.652 4.340 0.000 0.000 0.263 146 L C -1.331 175.582 176.870 0.073 0.000 1.122 146 L CA -1.983 52.917 54.840 0.100 0.000 0.804 146 L CB 0.982 43.079 42.059 0.063 0.000 1.150 146 L HN 0.259 nan 8.230 nan 0.000 0.457 147 P HA -0.147 nan 4.420 nan 0.000 0.220 147 P C 0.478 177.699 177.300 -0.131 0.000 1.148 147 P CA 1.084 64.139 63.100 -0.074 0.000 0.803 147 P CB 0.116 31.697 31.700 -0.198 0.000 0.782 148 D N -1.382 118.938 120.400 -0.133 0.000 2.389 148 D HA 0.017 4.657 4.640 0.000 0.000 0.206 148 D C 0.687 176.964 176.300 -0.037 0.000 1.055 148 D CA 0.277 54.215 54.000 -0.104 0.000 0.856 148 D CB 0.264 40.996 40.800 -0.113 0.000 0.957 148 D HN 0.257 nan 8.370 nan 0.000 0.509 149 R N -1.626 118.868 120.500 -0.010 0.000 2.709 149 R HA 0.533 4.873 4.340 0.000 0.000 0.270 149 R C -1.624 174.683 176.300 0.013 0.000 1.038 149 R CA -0.745 55.355 56.100 -0.001 0.000 0.872 149 R CB 0.500 30.789 30.300 -0.019 0.000 1.259 149 R HN -0.242 nan 8.270 nan 0.000 0.473 150 T N 2.144 116.698 114.554 0.001 0.000 2.807 150 T HA 0.538 4.888 4.350 0.000 0.000 0.279 150 T C -0.610 174.031 174.700 -0.097 0.000 0.993 150 T CA -0.554 61.516 62.100 -0.049 0.000 0.970 150 T CB 0.928 69.800 68.868 0.006 0.000 0.950 150 T HN 0.368 nan 8.240 nan 0.000 0.441 151 I N 3.172 123.649 120.570 -0.155 0.000 2.405 151 I HA 0.417 4.587 4.170 0.000 0.000 0.280 151 I C 1.073 177.086 176.117 -0.173 0.000 1.027 151 I CA -0.295 60.929 61.300 -0.126 0.000 1.161 151 I CB 1.084 39.027 38.000 -0.095 0.000 1.300 151 I HN 0.730 nan 8.210 nan 0.000 0.463 155 P HA 0.052 nan 4.420 nan 0.000 0.267 155 P C -0.381 176.909 177.300 -0.017 0.000 1.200 155 P CA -0.073 63.012 63.100 -0.025 0.000 0.772 155 P CB 0.515 32.199 31.700 -0.026 0.000 0.855 156 D N 1.540 121.931 120.400 -0.015 0.000 2.178 156 D HA -0.145 4.495 4.640 0.000 0.000 0.201 156 D C 1.416 177.720 176.300 0.006 0.000 0.980 156 D CA 1.432 55.429 54.000 -0.005 0.000 0.842 156 D CB -0.155 40.642 40.800 -0.006 0.000 0.948 156 D HN 0.495 nan 8.370 nan 0.000 0.472 157 E N 0.620 120.821 120.200 0.001 0.000 2.077 157 E HA -0.117 4.233 4.350 0.000 0.000 0.193 157 E C 2.154 178.761 176.600 0.012 0.000 0.989 157 E CA 0.289 56.693 56.400 0.007 0.000 0.800 157 E CB -0.282 29.414 29.700 -0.007 0.000 0.746 157 E HN 0.253 nan 8.360 nan 0.000 0.452 158 L N 0.256 121.476 121.223 -0.005 0.000 2.027 158 L HA -0.156 4.184 4.340 0.000 0.000 0.206 158 L C 2.060 178.949 176.870 0.031 0.000 1.074 158 L CA 0.973 55.806 54.840 -0.011 0.000 0.745 158 L CB -0.053 41.987 42.059 -0.032 0.000 0.898 158 L HN 0.050 nan 8.230 nan 0.000 0.433 159 V N 0.320 120.253 119.914 0.031 0.000 2.343 159 V HA -0.281 3.839 4.120 0.000 0.000 0.247 159 V C 2.806 178.942 176.094 0.071 0.000 1.051 159 V CA 1.661 63.990 62.300 0.049 0.000 1.036 159 V CB -1.145 30.698 31.823 0.034 0.000 0.654 159 V HN 0.598 nan 8.190 nan 0.000 0.451 160 A N 0.904 123.766 122.820 0.069 0.000 2.019 160 A HA -0.227 4.093 4.320 0.000 0.000 0.219 160 A C 2.254 179.964 177.584 0.209 0.000 1.164 160 A CA 2.042 54.134 52.037 0.091 0.000 0.644 160 A CB -0.355 18.690 19.000 0.076 0.000 0.805 160 A HN 0.760 nan 8.150 nan 0.000 0.449 161 K N -1.698 118.826 120.400 0.206 0.000 2.334 161 K HA 0.465 4.785 4.320 0.000 0.000 0.195 161 K C 1.515 178.339 176.600 0.373 0.000 1.045 161 K CA 0.884 57.345 56.287 0.291 0.000 1.004 161 K CB -0.003 32.598 32.500 0.167 0.000 0.837 161 K HN 0.186 nan 8.250 nan 0.000 0.510 162 A N 1.641 124.637 122.820 0.293 0.000 2.197 162 A HA 0.300 4.620 4.320 0.000 0.000 0.210 162 A C 1.215 178.906 177.584 0.178 0.000 1.180 162 A CA 0.150 52.384 52.037 0.327 0.000 0.846 162 A CB -0.222 18.964 19.000 0.309 0.000 0.884 162 A HN 0.345 nan 8.150 nan 0.000 0.487 163 G N 0.508 109.386 108.800 0.130 0.000 2.305 163 G HA2 0.375 4.335 3.960 0.000 0.000 0.243 163 G HA3 0.375 4.335 3.960 0.000 0.000 0.243 163 G C 0.002 174.932 174.900 0.050 0.000 1.288 163 G CA -0.184 44.959 45.100 0.072 0.000 0.901 163 G HN 0.375 nan 8.290 nan 0.000 0.516 164 L N 2.176 123.417 121.223 0.030 0.000 2.410 164 L HA 0.361 4.701 4.340 0.000 0.000 0.273 164 L C 1.607 178.464 176.870 -0.021 0.000 1.152 164 L CA 0.869 55.711 54.840 0.003 0.000 0.855 164 L CB 0.928 42.994 42.059 0.012 0.000 1.129 164 L HN 0.963 nan 8.230 nan 0.000 0.463 165 G N 2.605 111.379 108.800 -0.043 0.000 2.199 165 G HA2 -0.287 3.673 3.960 0.000 0.000 0.254 165 G HA3 -0.287 3.673 3.960 0.000 0.000 0.254 165 G C 0.746 175.592 174.900 -0.089 0.000 0.982 165 G CA 0.309 45.371 45.100 -0.063 0.000 0.632 165 G HN 0.564 nan 8.290 nan 0.000 0.529 166 L N 0.225 121.377 121.223 -0.117 0.000 2.291 166 L HA 0.220 4.560 4.340 0.000 0.000 0.214 166 L C 1.303 177.870 176.870 -0.504 0.000 1.120 166 L CA 0.656 55.331 54.840 -0.275 0.000 0.799 166 L CB -0.217 41.672 42.059 -0.282 0.000 0.925 166 L HN 0.345 nan 8.230 nan 0.000 0.446 167 H N -1.766 117.285 119.070 -0.033 0.000 2.834 167 H HA 0.129 4.685 4.556 0.000 0.000 0.369 167 H C 0.204 175.497 175.328 -0.058 0.000 1.174 167 H CA -0.596 55.429 56.048 -0.038 0.000 1.165 167 H CB 1.770 31.512 29.762 -0.034 0.000 1.820 167 H HN -0.116 nan 8.280 nan 0.000 0.558 168 E N 0.717 120.959 120.200 0.070 0.000 2.086 168 E HA -0.121 4.229 4.350 0.000 0.000 0.200 168 E C 0.257 176.834 176.600 -0.038 0.000 1.012 168 E CA 1.465 57.863 56.400 -0.003 0.000 0.812 168 E CB 0.273 29.968 29.700 -0.007 0.000 0.743 168 E HN 0.320 nan 8.360 nan 0.000 0.453 169 V N -1.794 118.100 119.914 -0.032 0.000 2.735 169 V HA 0.641 4.761 4.120 0.000 0.000 0.310 169 V C -0.653 175.387 176.094 -0.091 0.000 1.061 169 V CA -0.930 61.317 62.300 -0.087 0.000 0.913 169 V CB 2.131 33.892 31.823 -0.103 0.000 1.005 169 V HN -0.017 nan 8.190 nan 0.000 0.428 170 S N 4.488 120.101 115.700 -0.145 0.000 2.526 170 S HA 0.742 5.212 4.470 0.000 0.000 0.293 170 S C -2.907 171.537 174.600 -0.262 0.000 1.092 170 S CA -1.113 56.984 58.200 -0.172 0.000 0.980 170 S CB 2.224 65.355 63.200 -0.115 0.000 1.048 170 S HN 0.880 nan 8.310 nan 0.000 0.483 171 P HA 0.641 nan 4.420 nan 0.000 0.276 171 P C -1.207 175.921 177.300 -0.287 0.000 1.244 171 P CA -0.413 62.431 63.100 -0.427 0.000 0.801 171 P CB 1.035 32.244 31.700 -0.818 0.000 1.006 172 A N 1.700 124.414 122.820 -0.177 0.000 2.610 172 A HA 0.590 4.910 4.320 0.000 0.000 0.291 172 A C -1.776 175.816 177.584 0.013 0.000 1.086 172 A CA -0.751 51.258 52.037 -0.048 0.000 0.677 172 A CB 1.054 20.031 19.000 -0.038 0.000 1.278 172 A HN 0.557 nan 8.150 nan 0.000 0.414 173 L N 1.401 122.672 121.223 0.079 0.000 2.280 173 L HA 0.713 5.053 4.340 0.000 0.000 0.287 173 L C -0.626 176.281 176.870 0.062 0.000 1.023 173 L CA -0.056 54.804 54.840 0.033 0.000 0.819 173 L CB 1.428 43.465 42.059 -0.037 0.000 1.212 173 L HN 0.685 nan 8.230 nan 0.000 0.420 174 S N 5.362 121.119 115.700 0.095 0.000 2.532 174 S HA 0.658 5.128 4.470 0.000 0.000 0.301 174 S C -0.518 174.136 174.600 0.092 0.000 1.083 174 S CA -0.542 57.774 58.200 0.193 0.000 1.025 174 S CB 1.902 65.388 63.200 0.476 0.000 1.056 174 S HN 0.495 nan 8.310 nan 0.000 0.494 175 I N 2.043 122.637 120.570 0.040 0.000 2.404 175 I HA 0.459 4.629 4.170 0.000 0.000 0.293 175 I C -0.341 175.693 176.117 -0.139 0.000 0.992 175 I CA -0.569 60.679 61.300 -0.086 0.000 1.149 175 I CB 1.270 39.214 38.000 -0.094 0.000 1.315 175 I HN 0.754 nan 8.210 nan 0.000 0.446 176 C N 5.568 124.682 119.300 -0.311 0.000 2.441 176 C HA 0.867 5.327 4.460 0.000 0.000 0.318 176 C C -0.838 173.922 174.990 -0.382 0.000 1.222 176 C CA -0.971 57.679 59.018 -0.613 0.000 1.474 176 C CB 0.331 27.270 27.740 -1.335 0.000 2.125 176 C HN 0.609 nan 8.230 nan 0.000 0.479 177 L N 3.370 124.409 121.223 -0.307 0.000 2.356 177 L HA 0.478 4.818 4.340 0.000 0.000 0.277 177 L C -0.652 176.132 176.870 -0.144 0.000 0.996 177 L CA 0.166 54.922 54.840 -0.141 0.000 0.822 177 L CB 1.528 43.588 42.059 0.001 0.000 1.256 177 L HN 0.600 nan 8.230 nan 0.000 0.413 178 D N 4.868 125.210 120.400 -0.098 0.000 2.396 178 D HA 0.453 5.093 4.640 0.000 0.000 0.225 178 D C -0.467 175.823 176.300 -0.017 0.000 1.121 178 D CA 0.026 53.981 54.000 -0.074 0.000 0.853 178 D CB 1.194 41.954 40.800 -0.067 0.000 1.043 178 D HN 0.268 nan 8.370 nan 0.000 0.500 179 L N 2.246 123.459 121.223 -0.017 0.000 2.317 179 L HA 0.306 4.646 4.340 0.000 0.000 0.281 179 L C 0.586 177.454 176.870 -0.003 0.000 1.024 179 L CA -1.164 53.677 54.840 0.002 0.000 0.810 179 L CB 1.305 43.362 42.059 -0.003 0.000 1.240 179 L HN 0.234 nan 8.230 nan 0.000 0.427 180 D N 2.236 122.637 120.400 0.002 0.000 2.433 180 D HA 0.249 4.889 4.640 0.000 0.000 0.255 180 D C -2.044 174.253 176.300 -0.006 0.000 1.226 180 D CA -1.834 52.166 54.000 -0.000 0.000 1.015 180 D CB 0.251 41.053 40.800 0.004 0.000 1.091 180 D HN 0.158 nan 8.370 nan 0.000 0.527 181 P HA -0.108 nan 4.420 nan 0.000 0.218 181 P C 0.321 177.612 177.300 -0.014 0.000 1.146 181 P CA 1.104 64.199 63.100 -0.007 0.000 0.813 181 P CB 0.096 31.793 31.700 -0.004 0.000 0.778 182 D N -2.297 118.094 120.400 -0.015 0.000 2.348 182 D HA 0.076 4.716 4.640 0.000 0.000 0.211 182 D C 1.563 177.842 176.300 -0.036 0.000 0.998 182 D CA 1.161 55.147 54.000 -0.023 0.000 0.873 182 D CB 0.098 40.886 40.800 -0.019 0.000 0.925 182 D HN 0.193 nan 8.370 nan 0.000 0.524 183 G N 1.777 110.556 108.800 -0.035 0.000 2.179 183 G HA2 -0.245 3.715 3.960 0.000 0.000 0.220 183 G HA3 -0.245 3.715 3.960 0.000 0.000 0.220 183 G C 0.150 175.017 174.900 -0.056 0.000 0.990 183 G CA -0.150 44.917 45.100 -0.056 0.000 0.646 183 G HN 0.401 nan 8.290 nan 0.000 0.517 184 N N 0.735 119.422 118.700 -0.021 0.000 2.497 184 N HA 0.540 5.280 4.740 0.000 0.000 0.271 184 N C 0.538 176.086 175.510 0.062 0.000 1.142 184 N CA 0.219 53.277 53.050 0.014 0.000 0.965 184 N CB 0.541 39.041 38.487 0.022 0.000 1.077 184 N HN 0.504 nan 8.380 nan 0.000 0.462 185 A N 3.448 126.361 122.820 0.155 0.000 2.343 185 A HA 0.143 4.463 4.320 0.000 0.000 0.305 185 A C 0.661 178.322 177.584 0.128 0.000 1.308 185 A CA -0.406 51.750 52.037 0.198 0.000 0.949 185 A CB 0.181 19.450 19.000 0.448 0.000 1.148 185 A HN 0.879 nan 8.150 nan 0.000 0.545 186 E N 1.335 121.574 120.200 0.065 0.000 2.435 186 E HA 0.276 4.626 4.350 0.000 0.000 0.195 186 E C 0.417 177.031 176.600 0.023 0.000 1.029 186 E CA 0.804 57.228 56.400 0.039 0.000 0.865 186 E CB 0.217 29.930 29.700 0.022 0.000 0.833 186 E HN 0.789 nan 8.360 nan 0.000 0.510 187 A N 0.300 123.130 122.820 0.016 0.000 2.590 187 A HA 0.476 4.796 4.320 0.000 0.000 0.296 187 A C -1.368 176.196 177.584 -0.033 0.000 1.050 187 A CA -0.644 51.388 52.037 -0.008 0.000 0.697 187 A CB 1.457 20.447 19.000 -0.018 0.000 1.277 187 A HN -0.031 nan 8.150 nan 0.000 0.411 188 V N 2.020 121.911 119.914 -0.039 0.000 2.709 188 V HA 0.687 4.807 4.120 0.000 0.000 0.308 188 V C -1.266 174.800 176.094 -0.047 0.000 1.062 188 V CA -0.599 61.658 62.300 -0.072 0.000 0.901 188 V CB 2.189 33.950 31.823 -0.102 0.000 1.003 188 V HN 0.962 nan 8.190 nan 0.000 0.425 189 D N 2.026 122.336 120.400 -0.150 0.000 2.547 189 D HA 0.756 5.396 4.640 0.000 0.000 0.231 189 D C -1.111 174.964 176.300 -0.374 0.000 1.099 189 D CA -0.346 53.541 54.000 -0.189 0.000 0.901 189 D CB 2.495 43.224 40.800 -0.118 0.000 1.478 189 D HN 0.275 nan 8.370 nan 0.000 0.471 190 V N 1.326 120.902 119.914 -0.562 0.000 2.569 190 V HA 0.669 4.789 4.120 0.000 0.000 0.301 190 V C -1.177 174.761 176.094 -0.260 0.000 1.044 190 V CA -0.721 61.248 62.300 -0.551 0.000 0.874 190 V CB 1.223 32.406 31.823 -1.067 0.000 1.002 190 V HN 0.468 nan 8.190 nan 0.000 0.424 191 L N 3.484 124.662 121.223 -0.075 0.000 2.568 191 L HA 0.721 5.061 4.340 0.000 0.000 0.257 191 L C -0.933 175.958 176.870 0.034 0.000 1.024 191 L CA -0.934 53.913 54.840 0.013 0.000 0.854 191 L CB 1.484 43.593 42.059 0.082 0.000 1.460 191 L HN 0.366 nan 8.230 nan 0.000 0.409 192 L N 1.469 122.706 121.223 0.024 0.000 2.305 192 L HA 0.779 5.119 4.340 0.000 0.000 0.281 192 L C 0.405 177.265 176.870 -0.018 0.000 1.085 192 L CA -0.043 54.801 54.840 0.006 0.000 0.813 192 L CB 1.337 43.400 42.059 0.006 0.000 1.157 192 L HN 1.024 nan 8.230 nan 0.000 0.436 193 T N 0.494 115.012 114.554 -0.060 0.000 2.804 193 T HA 0.599 4.949 4.350 0.000 0.000 0.290 193 T C -0.686 173.896 174.700 -0.195 0.000 1.099 193 T CA -1.038 60.979 62.100 -0.138 0.000 1.011 193 T CB 2.400 71.143 68.868 -0.209 0.000 1.291 193 T HN 0.579 nan 8.240 nan 0.000 0.523 194 R N 0.638 120.988 120.500 -0.249 0.000 2.538 194 R HA 0.666 5.006 4.340 0.000 0.000 0.292 194 R C -1.358 174.744 176.300 -0.330 0.000 1.008 194 R CA -0.704 55.243 56.100 -0.255 0.000 0.896 194 R CB 1.795 31.981 30.300 -0.190 0.000 1.187 194 R HN 0.830 nan 8.270 nan 0.000 0.440 195 V N 0.569 120.270 119.914 -0.355 0.000 3.102 195 V HA 0.655 4.775 4.120 0.000 0.000 0.312 195 V C -1.164 174.755 176.094 -0.290 0.000 1.135 195 V CA -1.174 60.877 62.300 -0.414 0.000 1.022 195 V CB 2.009 33.463 31.823 -0.615 0.000 1.056 195 V HN 0.819 nan 8.190 nan 0.000 0.436 196 K N 1.769 122.000 120.400 -0.281 0.000 2.389 196 K HA 0.773 5.093 4.320 0.000 0.000 0.261 196 K C -1.010 175.440 176.600 -0.250 0.000 1.014 196 K CA -0.595 55.561 56.287 -0.218 0.000 0.920 196 K CB 1.833 34.220 32.500 -0.188 0.000 1.149 196 K HN 0.859 nan 8.250 nan 0.000 0.444 197 V N 3.203 122.992 119.914 -0.207 0.000 2.483 197 V HA 0.299 4.419 4.120 0.000 0.000 0.295 197 V C -1.132 174.845 176.094 -0.195 0.000 1.035 197 V CA -0.344 61.828 62.300 -0.214 0.000 0.896 197 V CB 1.541 33.284 31.823 -0.133 0.000 0.986 197 V HN 0.923 nan 8.190 nan 0.000 0.447 198 Q N 5.619 125.254 119.800 -0.274 0.000 2.293 198 Q HA 0.563 4.903 4.340 0.000 0.000 0.261 198 Q C -0.827 175.184 176.000 0.018 0.000 0.960 198 Q CA -0.547 55.159 55.803 -0.162 0.000 0.882 198 Q CB 2.316 30.879 28.738 -0.291 0.000 1.275 198 Q HN 0.711 nan 8.270 nan 0.000 0.445 199 R N 2.123 122.649 120.500 0.044 0.000 2.368 199 R HA 0.621 4.961 4.340 0.000 0.000 0.302 199 R C -0.656 175.701 176.300 0.096 0.000 1.002 199 R CA -0.310 55.828 56.100 0.062 0.000 0.929 199 R CB 0.873 31.175 30.300 0.004 0.000 1.073 199 R HN 0.453 nan 8.270 nan 0.000 0.464 200 L N 1.129 122.399 121.223 0.079 0.000 2.424 200 L HA 0.587 4.927 4.340 0.000 0.000 0.258 200 L C -0.440 176.385 176.870 -0.074 0.000 0.995 200 L CA -1.131 53.727 54.840 0.031 0.000 0.821 200 L CB 2.199 44.303 42.059 0.075 0.000 1.383 200 L HN 0.684 nan 8.230 nan 0.000 0.410 201 A N 0.366 123.134 122.820 -0.087 0.000 2.271 201 A HA 0.416 4.736 4.320 0.000 0.000 0.288 201 A C 0.238 177.754 177.584 -0.114 0.000 1.094 201 A CA 0.008 51.969 52.037 -0.128 0.000 0.828 201 A CB 0.191 19.156 19.000 -0.059 0.000 1.091 201 A HN 0.677 nan 8.150 nan 0.000 0.493 202 Y N -0.094 120.199 120.300 -0.012 0.000 2.151 202 Y HA -0.246 4.304 4.550 0.000 0.000 0.284 202 Y C 2.656 178.525 175.900 -0.051 0.000 1.166 202 Y CA 2.262 60.351 58.100 -0.018 0.000 1.163 202 Y CB -0.198 38.258 38.460 -0.007 0.000 0.974 202 Y HN 0.632 nan 8.280 nan 0.000 0.511 203 Q N 0.265 120.131 119.800 0.109 0.000 2.170 203 Q HA -0.199 4.141 4.340 0.000 0.000 0.203 203 Q C 1.945 177.919 176.000 -0.043 0.000 0.976 203 Q CA 1.580 57.397 55.803 0.024 0.000 0.858 203 Q CB -0.290 28.456 28.738 0.013 0.000 0.907 203 Q HN 0.672 nan 8.270 nan 0.000 0.433 204 E N 0.576 120.737 120.200 -0.065 0.000 2.072 204 E HA -0.069 4.281 4.350 0.000 0.000 0.190 204 E C 1.954 178.405 176.600 -0.249 0.000 0.982 204 E CA 0.806 57.132 56.400 -0.124 0.000 0.803 204 E CB -0.075 29.569 29.700 -0.095 0.000 0.755 204 E HN 0.303 nan 8.360 nan 0.000 0.453 205 A N 1.243 123.908 122.820 -0.259 0.000 1.969 205 A HA -0.243 4.077 4.320 0.000 0.000 0.218 205 A C 2.156 179.467 177.584 -0.455 0.000 1.169 205 A CA 1.541 53.261 52.037 -0.528 0.000 0.635 205 A CB -0.368 18.521 19.000 -0.184 0.000 0.810 205 A HN 0.107 nan 8.150 nan 0.000 0.445 206 Q N 0.108 119.794 119.800 -0.190 0.000 2.084 206 Q HA -0.029 4.311 4.340 0.000 0.000 0.202 206 Q C 2.011 177.913 176.000 -0.163 0.000 0.978 206 Q CA 2.122 57.850 55.803 -0.125 0.000 0.844 206 Q CB -0.639 28.070 28.738 -0.047 0.000 0.898 206 Q HN 0.541 nan 8.270 nan 0.000 0.426 207 A N 0.470 123.184 122.820 -0.177 0.000 1.933 207 A HA -0.195 4.125 4.320 0.000 0.000 0.218 207 A C 2.090 179.551 177.584 -0.205 0.000 1.175 207 A CA 1.587 53.532 52.037 -0.154 0.000 0.628 207 A CB -0.463 18.459 19.000 -0.130 0.000 0.814 207 A HN 0.421 nan 8.150 nan 0.000 0.444 208 R N -0.785 119.494 120.500 -0.369 0.000 2.092 208 R HA 0.046 4.386 4.340 0.000 0.000 0.231 208 R C 2.162 178.297 176.300 -0.276 0.000 1.119 208 R CA 1.051 56.900 56.100 -0.418 0.000 0.970 208 R CB -0.480 29.299 30.300 -0.868 0.000 0.864 208 R HN 0.543 nan 8.270 nan 0.000 0.440 209 L N 1.460 122.516 121.223 -0.278 0.000 2.046 209 L HA -0.189 4.151 4.340 0.000 0.000 0.208 209 L C 1.615 178.463 176.870 -0.036 0.000 1.077 209 L CA 1.807 56.612 54.840 -0.058 0.000 0.747 209 L CB -0.211 41.833 42.059 -0.026 0.000 0.896 209 L HN 0.262 nan 8.230 nan 0.000 0.432 210 E N -0.251 119.911 120.200 -0.064 0.000 2.265 210 E HA -0.160 4.190 4.350 0.000 0.000 0.196 210 E C 1.740 178.323 176.600 -0.029 0.000 0.996 210 E CA 0.887 57.264 56.400 -0.039 0.000 0.832 210 E CB -0.053 29.620 29.700 -0.045 0.000 0.756 210 E HN 0.573 nan 8.360 nan 0.000 0.491 211 A N 0.212 123.008 122.820 -0.039 0.000 2.251 211 A HA 0.305 4.625 4.320 0.000 0.000 0.209 211 A C 1.568 179.154 177.584 0.003 0.000 1.187 211 A CA 0.589 52.614 52.037 -0.021 0.000 0.823 211 A CB -0.185 18.796 19.000 -0.031 0.000 0.846 211 A HN 0.276 nan 8.150 nan 0.000 0.486 212 G N -0.199 108.609 108.800 0.014 0.000 2.176 212 G HA2 -0.238 3.722 3.960 0.000 0.000 0.252 212 G HA3 -0.238 3.722 3.960 0.000 0.000 0.252 212 G C -0.203 174.735 174.900 0.064 0.000 1.024 212 G CA 0.368 45.490 45.100 0.036 0.000 0.755 212 G HN 0.644 nan 8.290 nan 0.000 0.507 213 E N 0.425 120.680 120.200 0.091 0.000 2.331 213 E HA 0.390 4.740 4.350 0.000 0.000 0.272 213 E C 0.251 176.986 176.600 0.225 0.000 1.036 213 E CA -0.507 55.985 56.400 0.154 0.000 0.864 213 E CB 0.817 30.619 29.700 0.170 0.000 1.035 213 E HN 0.294 nan 8.360 nan 0.000 0.408 214 E N 2.868 123.151 120.200 0.139 0.000 2.283 214 E HA 0.109 4.459 4.350 0.000 0.000 0.267 214 E C -1.656 174.908 176.600 -0.060 0.000 1.045 214 E CA -1.803 54.623 56.400 0.043 0.000 0.884 214 E CB 0.766 30.487 29.700 0.035 0.000 1.106 214 E HN 0.370 nan 8.360 nan 0.000 0.408 215 P HA 0.029 nan 4.420 nan 0.000 0.249 215 P C 0.859 177.959 177.300 -0.332 0.000 1.229 215 P CA 0.390 63.327 63.100 -0.273 0.000 0.788 215 P CB 0.041 31.615 31.700 -0.209 0.000 1.072 216 F N 0.267 120.174 119.950 -0.071 0.000 2.126 216 F HA -0.168 4.359 4.527 0.000 0.000 0.299 216 F C 2.561 178.342 175.800 -0.033 0.000 1.096 216 F CA 1.103 59.057 58.000 -0.077 0.000 1.255 216 F CB -1.740 37.184 39.000 -0.126 0.000 0.997 216 F HN -0.238 nan 8.300 nan 0.000 0.479 217 V N -0.493 119.503 119.914 0.136 0.000 2.343 217 V HA -0.296 3.824 4.120 0.000 0.000 0.247 217 V C 2.292 178.411 176.094 0.043 0.000 1.051 217 V CA 2.466 64.814 62.300 0.079 0.000 1.036 217 V CB -1.017 30.845 31.823 0.064 0.000 0.654 217 V HN 0.403 nan 8.190 nan 0.000 0.451 218 T N 0.140 114.707 114.554 0.022 0.000 2.777 218 T HA -0.060 4.290 4.350 0.000 0.000 0.266 218 T C 1.886 176.590 174.700 0.008 0.000 1.040 218 T CA 1.282 63.388 62.100 0.011 0.000 1.141 218 T CB -0.243 68.628 68.868 0.005 0.000 0.868 218 T HN 0.280 nan 8.240 nan 0.000 0.444 219 L N 0.798 122.021 121.223 0.000 0.000 2.046 219 L HA -0.112 4.228 4.340 0.000 0.000 0.208 219 L C 3.005 179.891 176.870 0.027 0.000 1.077 219 L CA 1.269 56.115 54.840 0.010 0.000 0.747 219 L CB -0.622 41.439 42.059 0.003 0.000 0.896 219 L HN 0.241 nan 8.230 nan 0.000 0.432 220 A N -0.038 122.806 122.820 0.040 0.000 1.930 220 A HA -0.235 4.085 4.320 0.000 0.000 0.217 220 A C 2.429 180.023 177.584 0.016 0.000 1.175 220 A CA 1.694 53.752 52.037 0.035 0.000 0.627 220 A CB -0.545 18.483 19.000 0.046 0.000 0.815 220 A HN 0.364 nan 8.150 nan 0.000 0.443 221 R N -0.197 120.311 120.500 0.014 0.000 2.073 221 R HA -0.072 4.269 4.340 0.000 0.000 0.234 221 R C 1.965 178.262 176.300 -0.005 0.000 1.134 221 R CA 1.612 57.714 56.100 0.004 0.000 0.952 221 R CB -0.432 29.871 30.300 0.005 0.000 0.850 221 R HN 0.509 nan 8.270 nan 0.000 0.433 222 L N 0.333 121.553 121.223 -0.004 0.000 2.017 222 L HA -0.135 4.205 4.340 0.000 0.000 0.208 222 L C 2.793 179.651 176.870 -0.021 0.000 1.073 222 L CA 1.405 56.237 54.840 -0.013 0.000 0.745 222 L CB -0.674 41.381 42.059 -0.008 0.000 0.894 222 L HN 0.342 nan 8.230 nan 0.000 0.432 223 A N 0.178 122.991 122.820 -0.011 0.000 1.933 223 A HA -0.210 4.110 4.320 0.000 0.000 0.218 223 A C 2.393 179.958 177.584 -0.030 0.000 1.175 223 A CA 1.576 53.603 52.037 -0.017 0.000 0.628 223 A CB -0.474 18.527 19.000 0.001 0.000 0.814 223 A HN 0.338 nan 8.150 nan 0.000 0.444 224 R N -0.594 119.892 120.500 -0.023 0.000 2.066 224 R HA -0.042 4.298 4.340 0.000 0.000 0.232 224 R C 2.511 178.786 176.300 -0.041 0.000 1.131 224 R CA 1.209 57.291 56.100 -0.029 0.000 0.955 224 R CB -0.478 29.810 30.300 -0.019 0.000 0.851 224 R HN 0.499 nan 8.270 nan 0.000 0.432 225 A N 0.393 123.188 122.820 -0.041 0.000 1.933 225 A HA -0.189 4.131 4.320 0.000 0.000 0.218 225 A C 2.197 179.736 177.584 -0.076 0.000 1.175 225 A CA 1.860 53.867 52.037 -0.051 0.000 0.628 225 A CB -0.608 18.366 19.000 -0.043 0.000 0.814 225 A HN 0.318 nan 8.150 nan 0.000 0.444 226 S N -0.697 114.952 115.700 -0.085 0.000 2.368 226 S HA -0.171 4.299 4.470 0.000 0.000 0.225 226 S C 2.208 176.728 174.600 -0.133 0.000 1.030 226 S CA 1.355 59.479 58.200 -0.127 0.000 0.999 226 S CB -0.345 62.783 63.200 -0.119 0.000 0.844 226 S HN 0.608 nan 8.310 nan 0.000 0.459 227 R N 0.412 120.852 120.500 -0.101 0.000 2.081 227 R HA 0.021 4.361 4.340 0.000 0.000 0.235 227 R C 2.704 178.946 176.300 -0.097 0.000 1.131 227 R CA 1.472 57.512 56.100 -0.099 0.000 0.960 227 R CB -0.303 29.953 30.300 -0.074 0.000 0.856 227 R HN 0.424 nan 8.270 nan 0.000 0.436 228 R N 0.482 120.933 120.500 -0.082 0.000 2.096 228 R HA -0.105 4.235 4.340 0.000 0.000 0.235 228 R C 2.352 178.600 176.300 -0.087 0.000 1.127 228 R CA 1.126 57.182 56.100 -0.073 0.000 0.968 228 R CB -0.347 29.919 30.300 -0.058 0.000 0.861 228 R HN 0.233 nan 8.270 nan 0.000 0.440 229 L N 0.106 121.265 121.223 -0.108 0.000 2.027 229 L HA -0.151 4.189 4.340 0.000 0.000 0.206 229 L C 2.591 179.375 176.870 -0.144 0.000 1.074 229 L CA 1.410 56.175 54.840 -0.125 0.000 0.745 229 L CB -0.304 41.660 42.059 -0.158 0.000 0.898 229 L HN 0.140 nan 8.230 nan 0.000 0.433 230 R N -0.050 120.348 120.500 -0.169 0.000 2.096 230 R HA -0.161 4.179 4.340 0.000 0.000 0.235 230 R C 2.117 178.328 176.300 -0.148 0.000 1.127 230 R CA 1.339 57.331 56.100 -0.180 0.000 0.968 230 R CB -0.233 29.945 30.300 -0.203 0.000 0.861 230 R HN 0.459 nan 8.270 nan 0.000 0.440 231 E N -0.333 119.794 120.200 -0.122 0.000 2.150 231 E HA -0.108 4.243 4.350 0.000 0.000 0.193 231 E C 2.023 178.567 176.600 -0.093 0.000 0.985 231 E CA 0.988 57.327 56.400 -0.103 0.000 0.814 231 E CB -0.112 29.540 29.700 -0.081 0.000 0.752 231 E HN 0.478 nan 8.360 nan 0.000 0.466 232 G N 1.127 109.875 108.800 -0.088 0.000 2.471 232 G HA2 -0.201 3.759 3.960 0.000 0.000 0.219 232 G HA3 -0.201 3.759 3.960 0.000 0.000 0.219 232 G C 1.280 176.134 174.900 -0.077 0.000 1.125 232 G CA 0.338 45.395 45.100 -0.072 0.000 0.775 232 G HN 0.057 nan 8.290 nan 0.000 0.548 233 E N 0.056 120.195 120.200 -0.102 0.000 2.419 233 E HA 0.240 4.590 4.350 0.000 0.000 0.190 233 E C 1.525 178.032 176.600 -0.155 0.000 1.040 233 E CA 0.375 56.709 56.400 -0.109 0.000 0.900 233 E CB 0.174 29.806 29.700 -0.114 0.000 1.054 233 E HN 0.402 nan 8.360 nan 0.000 0.462 234 G N 0.828 109.534 108.800 -0.157 0.000 2.163 234 G HA2 -0.240 3.720 3.960 0.000 0.000 0.213 234 G HA3 -0.240 3.720 3.960 0.000 0.000 0.213 234 G C 0.502 175.247 174.900 -0.258 0.000 0.991 234 G CA -0.063 44.912 45.100 -0.209 0.000 0.653 234 G HN 0.452 nan 8.290 nan 0.000 0.518 235 A N 0.122 122.820 122.820 -0.203 0.000 2.440 235 A HA 0.755 5.075 4.320 0.000 0.000 0.251 235 A C 0.280 177.789 177.584 -0.124 0.000 1.089 235 A CA 0.473 52.401 52.037 -0.182 0.000 0.779 235 A CB 0.368 19.268 19.000 -0.166 0.000 1.022 235 A HN 0.988 nan 8.150 nan 0.000 0.492 236 L N 1.300 122.466 121.223 -0.096 0.000 2.376 236 L HA 0.574 4.914 4.340 0.000 0.000 0.258 236 L C 0.230 177.077 176.870 -0.038 0.000 1.013 236 L CA -0.615 54.194 54.840 -0.052 0.000 0.822 236 L CB 2.397 44.442 42.059 -0.023 0.000 1.388 236 L HN 0.709 nan 8.230 nan 0.000 0.413 237 S N 1.056 116.741 115.700 -0.026 0.000 2.549 237 S HA 0.706 5.176 4.470 0.000 0.000 0.297 237 S C -0.184 174.411 174.600 -0.009 0.000 1.115 237 S CA -0.563 57.622 58.200 -0.024 0.000 1.059 237 S CB 1.141 64.326 63.200 -0.024 0.000 1.046 237 S HN 0.540 nan 8.310 nan 0.000 0.506 238 I N 0.167 120.730 120.570 -0.011 0.000 3.241 238 I HA 0.456 4.626 4.170 0.000 0.000 0.333 238 I C -0.932 175.184 176.117 -0.002 0.000 1.534 238 I CA -0.643 60.653 61.300 -0.006 0.000 0.979 238 I CB 0.574 38.561 38.000 -0.023 0.000 1.497 238 I HN 0.305 nan 8.210 nan 0.000 0.530 239 D N 3.838 124.238 120.400 0.001 0.000 2.441 239 D HA 0.261 4.901 4.640 0.000 0.000 0.243 239 D C 0.136 176.454 176.300 0.029 0.000 1.257 239 D CA 0.382 54.384 54.000 0.004 0.000 1.027 239 D CB 1.004 41.798 40.800 -0.010 0.000 1.084 239 D HN 0.416 nan 8.370 nan 0.000 0.514 240 L N 2.081 123.331 121.223 0.045 0.000 2.439 240 L HA 0.315 4.655 4.340 0.000 0.000 0.259 240 L C -1.891 175.027 176.870 0.081 0.000 1.129 240 L CA -1.971 52.922 54.840 0.089 0.000 0.803 240 L CB 0.070 42.210 42.059 0.135 0.000 1.161 240 L HN -0.008 nan 8.230 nan 0.000 0.462 241 P HA 0.033 nan 4.420 nan 0.000 0.264 241 P C -1.098 176.254 177.300 0.087 0.000 1.183 241 P CA 0.341 63.496 63.100 0.092 0.000 0.763 241 P CB 0.382 32.149 31.700 0.113 0.000 0.807 242 E N 0.471 120.711 120.200 0.068 0.000 2.263 242 E HA 0.571 4.921 4.350 0.000 0.000 0.264 242 E C -0.766 175.876 176.600 0.071 0.000 0.923 242 E CA -1.139 55.299 56.400 0.063 0.000 0.802 242 E CB 2.002 31.726 29.700 0.041 0.000 1.228 242 E HN 0.267 nan 8.360 nan 0.000 0.417 243 V N -1.325 118.629 119.914 0.066 0.000 3.078 243 V HA 0.614 4.734 4.120 0.000 0.000 0.311 243 V C -0.982 175.149 176.094 0.061 0.000 1.138 243 V CA -1.218 61.123 62.300 0.068 0.000 1.007 243 V CB 1.869 33.718 31.823 0.044 0.000 1.045 243 V HN 0.577 nan 8.190 nan 0.000 0.432 244 R N 1.765 122.321 120.500 0.094 0.000 2.234 244 R HA 0.695 5.035 4.340 0.000 0.000 0.324 244 R C -0.957 175.361 176.300 0.030 0.000 1.054 244 R CA -0.482 55.678 56.100 0.100 0.000 0.912 244 R CB 1.576 31.990 30.300 0.190 0.000 1.030 244 R HN 0.657 nan 8.270 nan 0.000 0.455 245 V N 3.664 123.574 119.914 -0.007 0.000 2.350 245 V HA 0.299 4.419 4.120 0.000 0.000 0.276 245 V C -0.032 176.028 176.094 -0.058 0.000 1.028 245 V CA -0.602 61.651 62.300 -0.078 0.000 0.860 245 V CB 1.117 32.925 31.823 -0.024 0.000 0.990 245 V HN 0.570 nan 8.190 nan 0.000 0.453 246 K N 3.412 123.739 120.400 -0.123 0.000 2.385 246 K HA 0.915 5.235 4.320 0.000 0.000 0.248 246 K C -0.963 175.534 176.600 -0.172 0.000 0.955 246 K CA -0.366 55.873 56.287 -0.080 0.000 0.816 246 K CB 2.257 34.802 32.500 0.075 0.000 1.250 246 K HN 0.840 nan 8.250 nan 0.000 0.434 247 A N 2.605 125.307 122.820 -0.198 0.000 2.459 247 A HA 0.671 4.991 4.320 0.000 0.000 0.296 247 A C -1.586 175.929 177.584 -0.114 0.000 1.039 247 A CA -0.470 51.432 52.037 -0.225 0.000 0.698 247 A CB 0.866 19.502 19.000 -0.606 0.000 1.261 247 A HN 0.867 nan 8.150 nan 0.000 0.405 248 D N 0.511 120.886 120.400 -0.041 0.000 3.236 248 D HA 0.348 4.988 4.640 0.000 0.000 0.325 248 D C 0.752 177.060 176.300 0.014 0.000 1.352 248 D CA 0.066 54.060 54.000 -0.011 0.000 0.979 248 D CB -0.020 40.783 40.800 0.006 0.000 1.410 248 D HN 0.309 nan 8.370 nan 0.000 0.588 249 E N -0.560 119.651 120.200 0.019 0.000 2.118 249 E HA -0.159 4.191 4.350 0.000 0.000 0.195 249 E C 1.628 178.250 176.600 0.037 0.000 0.992 249 E CA 2.588 59.004 56.400 0.026 0.000 0.804 249 E CB -0.538 29.176 29.700 0.022 0.000 0.741 249 E HN 0.532 nan 8.360 nan 0.000 0.458 250 T N -3.032 111.547 114.554 0.043 0.000 3.148 250 T HA 0.397 4.747 4.350 0.000 0.000 0.253 250 T C 0.929 175.668 174.700 0.066 0.000 1.134 250 T CA 0.414 62.547 62.100 0.054 0.000 1.051 250 T CB -0.096 68.809 68.868 0.062 0.000 0.959 250 T HN 0.429 nan 8.240 nan 0.000 0.525 251 G N 0.629 109.467 108.800 0.063 0.000 2.409 251 G HA2 0.370 4.330 3.960 0.000 0.000 0.421 251 G HA3 0.370 4.330 3.960 0.000 0.000 0.421 251 G C -0.463 174.481 174.900 0.073 0.000 1.259 251 G CA -0.461 44.689 45.100 0.084 0.000 1.011 251 G HN 0.977 nan 8.290 nan 0.000 0.497 252 A N -0.709 122.179 122.820 0.113 0.000 2.293 252 A HA 0.898 5.218 4.320 0.000 0.000 0.302 252 A C 0.389 177.960 177.584 -0.021 0.000 1.119 252 A CA 0.730 52.804 52.037 0.063 0.000 0.823 252 A CB 1.066 20.169 19.000 0.172 0.000 1.097 252 A HN 1.922 nan 8.150 nan 0.000 0.491 253 S N -0.325 115.165 115.700 -0.351 0.000 2.540 253 S HA 0.584 5.054 4.470 0.000 0.000 0.275 253 S C -1.173 172.643 174.600 -1.306 0.000 1.123 253 S CA -0.492 57.140 58.200 -0.946 0.000 0.907 253 S CB 1.852 64.577 63.200 -0.791 0.000 1.081 253 S HN 0.705 nan 8.310 nan 0.000 0.476 254 V N 3.402 122.137 119.914 -1.965 0.000 2.409 254 V HA 0.518 4.638 4.120 0.000 0.000 0.290 254 V C -1.553 174.027 176.094 -0.857 0.000 1.017 254 V CA -0.540 61.083 62.300 -1.130 0.000 0.841 254 V CB 0.624 31.989 31.823 -0.763 0.000 1.003 254 V HN 0.799 nan 8.190 nan 0.000 0.426 255 F N 5.586 125.430 119.950 -0.175 0.000 2.427 255 F HA 0.595 5.122 4.527 0.000 0.000 0.346 255 F C -2.230 173.570 175.800 0.000 0.000 1.120 255 F CA -3.058 54.909 58.000 -0.054 0.000 1.033 255 F CB 1.339 40.313 39.000 -0.044 0.000 1.126 255 F HN 0.273 nan 8.300 nan 0.000 0.462 256 P HA 0.130 nan 4.420 nan 0.000 0.268 256 P C -0.634 176.746 177.300 0.133 0.000 1.205 256 P CA -0.061 63.131 63.100 0.154 0.000 0.771 256 P CB 0.650 32.444 31.700 0.156 0.000 0.858 257 L N 5.813 127.095 121.223 0.098 0.000 2.255 257 L HA 0.344 4.684 4.340 0.000 0.000 0.289 257 L C -1.650 175.247 176.870 0.045 0.000 1.046 257 L CA -1.986 52.896 54.840 0.071 0.000 0.816 257 L CB 0.758 42.851 42.059 0.057 0.000 1.197 257 L HN 0.260 nan 8.230 nan 0.000 0.427 258 P HA 0.057 nan 4.420 nan 0.000 0.269 258 P C -0.904 176.384 177.300 -0.020 0.000 1.215 258 P CA -0.297 62.816 63.100 0.020 0.000 0.780 258 P CB 0.842 32.559 31.700 0.027 0.000 0.898 259 K N 1.800 122.182 120.400 -0.029 0.000 3.122 259 K HA 0.261 4.581 4.320 0.000 0.000 0.193 259 K C -1.907 174.657 176.600 -0.060 0.000 1.141 259 K CA -1.331 54.916 56.287 -0.068 0.000 0.975 259 K CB 0.276 32.746 32.500 -0.048 0.000 1.173 259 K HN 0.477 nan 8.250 nan 0.000 0.546 260 P HA -0.111 nan 4.420 nan 0.000 0.267 260 P C 0.089 177.359 177.300 -0.050 0.000 1.201 260 P CA 0.106 63.185 63.100 -0.036 0.000 0.775 260 P CB 0.815 32.508 31.700 -0.010 0.000 0.854 264 T N 1.160 115.634 114.554 -0.133 0.000 2.821 264 T HA -0.038 4.312 4.350 0.000 0.000 0.267 264 T C 1.627 176.312 174.700 -0.024 0.000 1.046 264 T CA 1.680 63.736 62.100 -0.074 0.000 1.139 264 T CB -0.047 68.787 68.868 -0.056 0.000 0.871 264 T HN 0.060 nan 8.240 nan 0.000 0.454 265 V N 1.196 121.114 119.914 0.007 0.000 2.295 265 V HA -0.141 3.979 4.120 0.000 0.000 0.246 265 V C 2.655 178.790 176.094 0.068 0.000 1.049 265 V CA 1.311 63.635 62.300 0.039 0.000 1.024 265 V CB -0.660 31.202 31.823 0.065 0.000 0.648 265 V HN 0.307 nan 8.190 nan 0.000 0.447 266 V N -0.062 119.924 119.914 0.120 0.000 2.343 266 V HA -0.347 3.773 4.120 0.000 0.000 0.247 266 V C 2.460 178.628 176.094 0.123 0.000 1.051 266 V CA 2.427 64.830 62.300 0.171 0.000 1.036 266 V CB -0.706 31.328 31.823 0.352 0.000 0.654 266 V HN 0.680 nan 8.190 nan 0.000 0.451 267 Q N 0.090 119.936 119.800 0.077 0.000 2.096 267 Q HA -0.314 4.026 4.340 0.000 0.000 0.204 267 Q C 2.205 178.228 176.000 0.039 0.000 0.982 267 Q CA 2.333 58.165 55.803 0.049 0.000 0.850 267 Q CB -0.155 28.579 28.738 -0.006 0.000 0.901 267 Q HN 0.643 nan 8.270 nan 0.000 0.422 268 E N 0.014 120.225 120.200 0.020 0.000 2.150 268 E HA -0.051 4.299 4.350 0.000 0.000 0.193 268 E C 0.229 176.849 176.600 0.033 0.000 0.985 268 E CA 0.513 56.915 56.400 0.003 0.000 0.814 268 E CB -0.126 29.564 29.700 -0.017 0.000 0.752 268 E HN 0.395 nan 8.360 nan 0.000 0.466 272 L N 1.801 123.134 121.223 0.183 0.000 2.079 272 L HA -0.019 4.321 4.340 0.000 0.000 0.210 272 L C 2.960 180.005 176.870 0.292 0.000 1.081 272 L CA 1.836 56.816 54.840 0.234 0.000 0.752 272 L CB -0.465 41.669 42.059 0.126 0.000 0.896 272 L HN 0.422 nan 8.230 nan 0.000 0.433 273 A N 0.052 122.987 122.820 0.191 0.000 1.902 273 A HA -0.124 4.196 4.320 0.000 0.000 0.217 273 A C 2.383 180.033 177.584 0.110 0.000 1.181 273 A CA 1.730 53.839 52.037 0.119 0.000 0.623 273 A CB -1.184 17.867 19.000 0.085 0.000 0.818 273 A HN 0.445 nan 8.150 nan 0.000 0.443 274 G N -1.897 107.005 108.800 0.170 0.000 2.408 274 G HA2 -0.227 3.733 3.960 0.000 0.000 0.217 274 G HA3 -0.227 3.733 3.960 0.000 0.000 0.217 274 G C 1.372 176.318 174.900 0.078 0.000 1.150 274 G CA 0.992 46.068 45.100 -0.041 0.000 0.776 274 G HN 0.683 nan 8.290 nan 0.000 0.542 275 W N 1.843 123.265 121.300 0.203 0.000 2.379 275 W HA 0.064 4.724 4.660 0.000 0.000 0.307 275 W C 2.424 179.009 176.519 0.111 0.000 1.200 275 W CA 1.810 59.284 57.345 0.214 0.000 1.297 275 W CB -0.425 29.147 29.460 0.186 0.000 1.140 275 W HN 0.080 nan 8.180 nan 0.000 0.507 276 G N -0.539 108.277 108.800 0.026 0.000 2.418 276 G HA2 -0.266 3.694 3.960 0.000 0.000 0.217 276 G HA3 -0.266 3.694 3.960 0.000 0.000 0.217 276 G C 1.441 176.246 174.900 -0.158 0.000 1.158 276 G CA 1.664 46.635 45.100 -0.215 0.000 0.771 276 G HN 0.289 nan 8.290 nan 0.000 0.545 277 T N 1.562 116.064 114.554 -0.087 0.000 2.720 277 T HA -0.020 4.330 4.350 0.000 0.000 0.268 277 T C 2.798 177.485 174.700 -0.022 0.000 1.037 277 T CA 1.594 63.652 62.100 -0.071 0.000 1.144 277 T CB -0.334 68.466 68.868 -0.114 0.000 0.864 277 T HN 0.378 nan 8.240 nan 0.000 0.444 278 A N 1.371 124.171 122.820 -0.032 0.000 1.898 278 A HA -0.003 4.317 4.320 0.000 0.000 0.216 278 A C 2.230 179.849 177.584 0.059 0.000 1.181 278 A CA 0.926 53.052 52.037 0.147 0.000 0.620 278 A CB -0.558 18.591 19.000 0.249 0.000 0.819 278 A HN 0.384 nan 8.150 nan 0.000 0.442 279 I N -1.347 119.103 120.570 -0.201 0.000 2.179 279 I HA -0.215 3.955 4.170 0.000 0.000 0.242 279 I C 2.354 178.393 176.117 -0.130 0.000 1.088 279 I CA 1.457 62.588 61.300 -0.282 0.000 1.357 279 I CB -1.449 36.203 38.000 -0.579 0.000 1.051 279 I HN 0.438 nan 8.210 nan 0.000 0.409 280 F N 1.957 121.775 119.950 -0.221 0.000 2.095 280 F HA -0.218 4.309 4.527 0.000 0.000 0.298 280 F C 2.534 178.216 175.800 -0.196 0.000 1.104 280 F CA 1.836 59.721 58.000 -0.192 0.000 1.232 280 F CB -0.316 38.577 39.000 -0.179 0.000 0.987 280 F HN 0.038 nan 8.300 nan 0.000 0.475 281 A N -0.516 122.264 122.820 -0.067 0.000 1.898 281 A HA -0.208 4.112 4.320 0.000 0.000 0.216 281 A C 1.913 179.442 177.584 -0.092 0.000 1.181 281 A CA 1.927 53.889 52.037 -0.124 0.000 0.620 281 A CB -1.185 17.835 19.000 0.032 0.000 0.819 281 A HN 0.494 nan 8.150 nan 0.000 0.442 282 D N -0.077 120.318 120.400 -0.009 0.000 2.097 282 D HA -0.155 4.485 4.640 0.000 0.000 0.195 282 D C 1.277 177.481 176.300 -0.160 0.000 0.989 282 D CA 1.581 55.533 54.000 -0.079 0.000 0.827 282 D CB -0.186 40.545 40.800 -0.114 0.000 0.966 282 D HN 0.337 nan 8.370 nan 0.000 0.456 283 D N -0.205 120.067 120.400 -0.213 0.000 2.123 283 D HA -0.114 4.526 4.640 0.000 0.000 0.196 283 D C 1.130 177.262 176.300 -0.281 0.000 0.992 283 D CA 0.825 54.688 54.000 -0.229 0.000 0.833 283 D CB -0.330 40.324 40.800 -0.242 0.000 0.954 283 D HN 0.321 nan 8.370 nan 0.000 0.455 284 N N 0.851 119.276 118.700 -0.457 0.000 2.276 284 N HA -0.009 4.731 4.740 0.000 0.000 0.212 284 N C -0.445 174.861 175.510 -0.340 0.000 1.127 284 N CA 0.082 52.827 53.050 -0.507 0.000 0.834 284 N CB 0.505 38.319 38.487 -1.122 0.000 1.014 284 N HN 0.287 nan 8.380 nan 0.000 0.491 285 E N 0.391 120.463 120.200 -0.213 0.000 2.440 285 E HA -0.207 4.143 4.350 0.000 0.000 0.246 285 E C -0.554 175.995 176.600 -0.085 0.000 1.165 285 E CA 0.421 56.757 56.400 -0.106 0.000 0.726 285 E CB -1.535 28.128 29.700 -0.061 0.000 1.271 285 E HN 0.484 nan 8.360 nan 0.000 0.397 286 I N 1.860 122.347 120.570 -0.139 0.000 2.325 286 I HA 0.218 4.388 4.170 0.000 0.000 0.291 286 I C -1.667 174.467 176.117 0.028 0.000 1.019 286 I CA -2.127 59.116 61.300 -0.094 0.000 1.302 286 I CB 0.538 38.410 38.000 -0.214 0.000 1.401 286 I HN -0.170 nan 8.210 nan 0.000 0.485 287 P HA 0.342 nan 4.420 nan 0.000 0.276 287 P C -0.936 176.354 177.300 -0.017 0.000 1.230 287 P CA -0.035 63.134 63.100 0.116 0.000 0.776 287 P CB 1.385 33.135 31.700 0.083 0.000 0.888 288 L N 3.597 124.732 121.223 -0.146 0.000 2.322 288 L HA 0.489 4.829 4.340 0.000 0.000 0.252 288 L C -2.331 174.357 176.870 -0.303 0.000 1.055 288 L CA -2.530 52.062 54.840 -0.413 0.000 0.849 288 L CB 2.951 44.467 42.059 -0.904 0.000 1.446 288 L HN 0.145 nan 8.230 nan 0.000 0.416 289 P HA 0.162 nan 4.420 nan 0.000 0.225 289 P C -0.648 176.723 177.300 0.119 0.000 1.830 289 P CA -0.208 62.909 63.100 0.027 0.000 1.051 289 P CB -0.601 31.084 31.700 -0.026 0.000 1.929 290 F N 1.715 121.768 119.950 0.173 0.000 2.608 290 F HA 0.158 4.685 4.527 0.000 0.000 0.380 290 F C 1.489 177.424 175.800 0.225 0.000 1.083 290 F CA 0.010 58.107 58.000 0.161 0.000 1.266 290 F CB 0.407 39.468 39.000 0.101 0.000 1.076 290 F HN 0.239 nan 8.300 nan 0.000 0.574 291 A N 3.030 126.094 122.820 0.407 0.000 2.276 291 A HA 0.590 4.910 4.320 0.000 0.000 0.300 291 A C 0.088 177.820 177.584 0.247 0.000 1.235 291 A CA -0.302 51.866 52.037 0.218 0.000 0.867 291 A CB 0.040 19.281 19.000 0.401 0.000 1.137 291 A HN 0.762 nan 8.150 nan 0.000 0.527 292 T N 0.317 114.874 114.554 0.006 0.000 2.924 292 T HA 0.738 5.088 4.350 0.000 0.000 0.291 292 T C -0.698 173.844 174.700 -0.264 0.000 1.045 292 T CA -0.702 61.380 62.100 -0.030 0.000 1.015 292 T CB 1.762 70.629 68.868 -0.002 0.000 1.103 292 T HN 0.719 nan 8.240 nan 0.000 0.496 293 Q N 1.214 120.807 119.800 -0.344 0.000 2.280 293 Q HA 0.297 4.637 4.340 0.000 0.000 0.259 293 Q C -1.778 174.106 176.000 -0.194 0.000 0.964 293 Q CA -0.550 55.009 55.803 -0.407 0.000 0.844 293 Q CB 2.385 30.604 28.738 -0.865 0.000 1.334 293 Q HN 0.902 nan 8.270 nan 0.000 0.423 294 D N 0.984 121.321 120.400 -0.105 0.000 2.433 294 D HA 0.154 4.795 4.640 0.000 0.000 0.255 294 D C -0.702 175.562 176.300 -0.061 0.000 1.226 294 D CA 0.130 54.133 54.000 0.004 0.000 1.015 294 D CB 0.565 41.380 40.800 0.025 0.000 1.091 294 D HN 0.324 nan 8.370 nan 0.000 0.527 295 Y N 0.226 120.389 120.300 -0.229 0.000 2.652 295 Y HA 0.155 4.705 4.550 0.000 0.000 0.344 295 Y C -1.312 174.371 175.900 -0.361 0.000 1.254 295 Y CA -1.131 56.683 58.100 -0.477 0.000 1.480 295 Y CB -0.285 37.987 38.460 -0.314 0.000 1.345 295 Y HN 0.276 nan 8.280 nan 0.000 0.617 296 P HA 0.087 nan 4.420 nan 0.000 0.276 296 P C 0.295 177.559 177.300 -0.060 0.000 1.261 296 P CA -0.229 62.785 63.100 -0.142 0.000 0.800 296 P CB 0.997 32.618 31.700 -0.132 0.000 1.066 297 T N -0.167 114.362 114.554 -0.041 0.000 2.699 297 T HA -0.148 4.202 4.350 0.000 0.000 0.268 297 T C 1.037 175.730 174.700 -0.012 0.000 1.036 297 T CA 1.482 63.568 62.100 -0.023 0.000 1.147 297 T CB -0.286 68.570 68.868 -0.019 0.000 0.862 297 T HN 0.611 nan 8.240 nan 0.000 0.446 298 R N 0.216 120.712 120.500 -0.007 0.000 2.734 298 R HA 0.528 4.868 4.340 0.000 0.000 0.271 298 R C -1.738 174.572 176.300 0.016 0.000 1.021 298 R CA -0.916 55.189 56.100 0.008 0.000 0.893 298 R CB 1.424 31.729 30.300 0.009 0.000 1.244 298 R HN 0.061 nan 8.270 nan 0.000 0.464 299 E N 0.985 121.204 120.200 0.032 0.000 2.316 299 E HA 0.322 4.672 4.350 0.000 0.000 0.275 299 E C -0.799 175.822 176.600 0.036 0.000 1.029 299 E CA -0.543 55.883 56.400 0.044 0.000 0.871 299 E CB 1.794 31.527 29.700 0.056 0.000 1.022 299 E HN 0.224 nan 8.360 nan 0.000 0.418 300 V N 2.308 122.245 119.914 0.038 0.000 2.577 300 V HA 0.543 4.663 4.120 0.000 0.000 0.303 300 V C -0.283 175.831 176.094 0.034 0.000 1.042 300 V CA -0.732 61.589 62.300 0.035 0.000 0.872 300 V CB 1.618 33.461 31.823 0.034 0.000 0.998 300 V HN 0.785 nan 8.190 nan 0.000 0.423 301 A N 3.236 126.074 122.820 0.030 0.000 2.311 301 A HA 1.045 5.365 4.320 0.000 0.000 0.334 301 A C 0.382 177.980 177.584 0.024 0.000 1.139 301 A CA -0.026 52.025 52.037 0.024 0.000 0.830 301 A CB 1.412 20.424 19.000 0.020 0.000 1.234 301 A HN 2.292 nan 8.150 nan 0.000 0.483 302 G N 0.423 109.233 108.800 0.018 0.000 2.619 302 G HA2 0.247 4.207 3.960 0.000 0.000 0.686 302 G HA3 0.247 4.207 3.960 0.000 0.000 0.686 302 G C -0.578 174.334 174.900 0.021 0.000 1.256 302 G CA 0.349 45.460 45.100 0.019 0.000 0.826 302 G HN 1.648 nan 8.290 nan 0.000 0.619 303 D N -1.625 118.786 120.400 0.019 0.000 2.513 303 D HA 0.314 4.954 4.640 0.000 0.000 0.222 303 D C 1.313 177.632 176.300 0.031 0.000 1.210 303 D CA 0.831 54.844 54.000 0.021 0.000 0.825 303 D CB 0.159 40.965 40.800 0.009 0.000 1.037 303 D HN 0.855 nan 8.370 nan 0.000 0.506 304 T N -2.125 112.450 114.554 0.034 0.000 2.766 304 T HA 0.200 4.550 4.350 0.000 0.000 0.295 304 T C 1.623 176.360 174.700 0.061 0.000 1.024 304 T CA -0.697 61.426 62.100 0.038 0.000 1.018 304 T CB 0.915 69.801 68.868 0.031 0.000 1.002 304 T HN 0.026 nan 8.240 nan 0.000 0.532 305 L N 0.982 122.242 121.223 0.062 0.000 2.012 305 L HA -0.020 4.320 4.340 0.000 0.000 0.210 305 L C -0.370 176.580 176.870 0.133 0.000 1.073 305 L CA 1.472 56.369 54.840 0.096 0.000 0.748 305 L CB -1.734 40.360 42.059 0.058 0.000 0.891 305 L HN 0.547 nan 8.230 nan 0.000 0.431 306 P HA -0.113 nan 4.420 nan 0.000 0.216 306 P C 0.631 178.017 177.300 0.143 0.000 1.153 306 P CA 1.301 64.454 63.100 0.088 0.000 0.848 306 P CB -0.017 31.700 31.700 0.027 0.000 0.787 310 A N 1.746 124.697 122.820 0.218 0.000 1.898 310 A HA -0.140 4.180 4.320 0.000 0.000 0.216 310 A C 1.837 179.434 177.584 0.023 0.000 1.181 310 A CA 2.087 54.193 52.037 0.115 0.000 0.620 310 A CB -0.999 18.070 19.000 0.116 0.000 0.819 310 A HN 0.307 nan 8.150 nan 0.000 0.442 311 R N -0.355 120.159 120.500 0.022 0.000 2.091 311 R HA -0.174 4.166 4.340 0.000 0.000 0.238 311 R C 2.394 178.669 176.300 -0.043 0.000 1.136 311 R CA 1.820 57.919 56.100 -0.002 0.000 0.959 311 R CB -0.313 29.994 30.300 0.012 0.000 0.856 311 R HN 0.527 nan 8.270 nan 0.000 0.437 312 R N 0.617 121.062 120.500 -0.091 0.000 2.105 312 R HA -0.113 4.227 4.340 0.000 0.000 0.239 312 R C 1.764 177.979 176.300 -0.143 0.000 1.135 312 R CA 1.748 57.764 56.100 -0.140 0.000 0.967 312 R CB 0.044 30.198 30.300 -0.244 0.000 0.861 312 R HN 0.213 nan 8.270 nan 0.000 0.442 313 K N -0.608 119.703 120.400 -0.148 0.000 2.217 313 K HA -0.060 4.260 4.320 0.000 0.000 0.202 313 K C 1.844 178.406 176.600 -0.062 0.000 1.051 313 K CA 1.639 57.860 56.287 -0.109 0.000 0.952 313 K CB 0.111 32.561 32.500 -0.083 0.000 0.736 313 K HN 0.380 nan 8.250 nan 0.000 0.453 314 T N -0.923 113.603 114.554 -0.048 0.000 3.081 314 T HA 0.137 4.487 4.350 0.000 0.000 0.255 314 T C 0.966 175.638 174.700 -0.047 0.000 1.113 314 T CA -0.189 61.890 62.100 -0.036 0.000 1.082 314 T CB -0.205 68.650 68.868 -0.021 0.000 0.939 314 T HN -0.059 nan 8.240 nan 0.000 0.506 315 L N 2.044 123.235 121.223 -0.053 0.000 2.514 315 L HA 0.390 4.731 4.340 0.000 0.000 0.280 315 L C 1.068 177.899 176.870 -0.064 0.000 1.223 315 L CA -0.598 54.208 54.840 -0.058 0.000 0.864 315 L CB -0.010 42.020 42.059 -0.048 0.000 1.118 315 L HN 0.300 nan 8.230 nan 0.000 0.494 316 A N 4.519 127.290 122.820 -0.081 0.000 2.304 316 A HA 0.428 4.748 4.320 0.000 0.000 0.271 316 A C 0.153 177.688 177.584 -0.081 0.000 1.091 316 A CA -0.502 51.489 52.037 -0.077 0.000 0.812 316 A CB 0.360 19.307 19.000 -0.088 0.000 1.056 316 A HN 0.774 nan 8.150 nan 0.000 0.489 317 R N 0.303 120.764 120.500 -0.066 0.000 2.641 317 R HA 0.316 4.656 4.340 0.000 0.000 0.269 317 R C 0.140 176.374 176.300 -0.110 0.000 1.074 317 R CA 0.427 56.490 56.100 -0.062 0.000 1.133 317 R CB 0.250 30.530 30.300 -0.033 0.000 1.029 317 R HN 0.800 nan 8.270 nan 0.000 0.488 318 T N 0.503 114.983 114.554 -0.123 0.000 2.794 318 T HA 0.286 4.636 4.350 0.000 0.000 0.296 318 T C 0.171 174.674 174.700 -0.328 0.000 0.949 318 T CA -0.773 61.181 62.100 -0.243 0.000 1.101 318 T CB 0.695 69.437 68.868 -0.210 0.000 0.905 318 T HN 0.430 nan 8.240 nan 0.000 0.516 319 R N 2.187 122.480 120.500 -0.346 0.000 2.494 319 R HA 0.481 4.821 4.340 0.000 0.000 0.305 319 R C -1.052 175.056 176.300 -0.320 0.000 0.959 319 R CA -0.681 55.271 56.100 -0.245 0.000 0.864 319 R CB 1.343 31.594 30.300 -0.082 0.000 1.159 319 R HN 0.561 nan 8.270 nan 0.000 0.446 320 F N 2.671 122.683 119.950 0.104 0.000 2.410 320 F HA 0.263 4.790 4.527 0.000 0.000 0.349 320 F C 0.491 176.363 175.800 0.120 0.000 1.117 320 F CA -0.362 57.712 58.000 0.123 0.000 1.104 320 F CB 1.392 40.455 39.000 0.106 0.000 1.122 320 F HN 0.347 nan 8.300 nan 0.000 0.483 321 Q N 4.123 124.103 119.800 0.300 0.000 2.379 321 Q HA 0.421 4.761 4.340 0.000 0.000 0.278 321 Q C -2.658 173.523 176.000 0.303 0.000 1.068 321 Q CA -2.193 53.751 55.803 0.236 0.000 0.816 321 Q CB 2.588 31.419 28.738 0.156 0.000 1.387 321 Q HN 0.215 nan 8.270 nan 0.000 0.413 322 P HA -0.183 nan 4.420 nan 0.000 0.223 322 P C -0.043 177.477 177.300 0.367 0.000 1.144 322 P CA 1.184 64.437 63.100 0.255 0.000 0.783 322 P CB 0.226 32.008 31.700 0.137 0.000 0.771 323 S N -1.089 114.748 115.700 0.228 0.000 2.536 323 S HA 0.598 5.068 4.470 0.000 0.000 0.298 323 S C -3.043 171.326 174.600 -0.385 0.000 1.083 323 S CA -2.246 55.915 58.200 -0.065 0.000 0.995 323 S CB 1.938 65.097 63.200 -0.069 0.000 1.058 323 S HN -0.156 nan 8.310 nan 0.000 0.488 324 P HA 0.352 nan 4.420 nan 0.000 0.265 324 P C 0.032 177.164 177.300 -0.281 0.000 1.193 324 P CA 0.324 62.895 63.100 -0.881 0.000 0.765 324 P CB 0.400 31.563 31.700 -0.895 0.000 0.823 325 G N 2.512 111.253 108.800 -0.098 0.000 2.696 325 G HA2 0.557 4.517 3.960 0.000 0.000 0.295 325 G HA3 0.557 4.517 3.960 0.000 0.000 0.295 325 G C -3.309 171.631 174.900 0.066 0.000 1.398 325 G CA -1.544 43.553 45.100 -0.006 0.000 0.920 325 G HN 0.178 nan 8.290 nan 0.000 0.492 326 P HA 0.137 nan 4.420 nan 0.000 0.269 326 P C -0.733 176.636 177.300 0.115 0.000 1.209 326 P CA -0.029 63.135 63.100 0.105 0.000 0.776 326 P CB 0.506 32.262 31.700 0.094 0.000 0.876 327 H N 2.675 121.775 119.070 0.049 0.000 2.718 327 H HA 0.098 4.654 4.556 0.000 0.000 0.295 327 H C 1.004 176.311 175.328 -0.036 0.000 1.051 327 H CA -0.084 55.976 56.048 0.020 0.000 1.260 327 H CB 0.167 29.940 29.762 0.017 0.000 1.403 327 H HN 0.581 nan 8.280 nan 0.000 0.488 328 H N 3.266 122.271 119.070 -0.108 0.000 2.319 328 H HA -0.087 4.469 4.556 0.000 0.000 0.299 328 H C 0.781 176.076 175.328 -0.055 0.000 1.092 328 H CA 1.503 57.444 56.048 -0.178 0.000 1.302 328 H CB 0.205 29.739 29.762 -0.380 0.000 1.373 328 H HN 0.729 nan 8.280 nan 0.000 0.497 332 L N 0.786 121.974 121.223 -0.059 0.000 2.334 332 L HA 0.615 4.955 4.340 0.000 0.000 0.273 332 L C 0.519 177.465 176.870 0.128 0.000 1.013 332 L CA -0.651 54.209 54.840 0.033 0.000 0.816 332 L CB 1.739 43.851 42.059 0.088 0.000 1.278 332 L HN -0.039 nan 8.230 nan 0.000 0.431 333 D N 1.600 122.111 120.400 0.186 0.000 2.323 333 D HA 0.158 4.798 4.640 0.000 0.000 0.209 333 D C 0.073 176.477 176.300 0.174 0.000 0.973 333 D CA 0.792 54.887 54.000 0.157 0.000 0.874 333 D CB 0.486 41.373 40.800 0.145 0.000 0.930 333 D HN 0.416 nan 8.370 nan 0.000 0.521 334 L N -3.417 117.973 121.223 0.279 0.000 2.653 334 L HA 0.620 4.960 4.340 0.000 0.000 0.257 334 L C -1.859 175.302 176.870 0.485 0.000 0.969 334 L CA -1.163 53.845 54.840 0.280 0.000 0.869 334 L CB 2.128 44.258 42.059 0.118 0.000 1.439 334 L HN -0.194 nan 8.230 nan 0.000 0.414 335 Y N 1.421 121.923 120.300 0.337 0.000 2.604 335 Y HA 0.802 5.352 4.550 0.000 0.000 0.331 335 Y C -1.764 174.327 175.900 0.318 0.000 1.158 335 Y CA -0.048 58.237 58.100 0.310 0.000 1.056 335 Y CB 2.086 40.681 38.460 0.225 0.000 1.330 335 Y HN 1.136 nan 8.280 nan 0.000 0.457 336 A N 4.473 126.930 122.820 -0.605 0.000 2.459 336 A HA 0.544 4.864 4.320 0.000 0.000 0.296 336 A C -1.806 175.346 177.584 -0.719 0.000 1.039 336 A CA -0.895 50.863 52.037 -0.466 0.000 0.698 336 A CB 1.517 20.304 19.000 -0.356 0.000 1.261 336 A HN 0.677 nan 8.150 nan 0.000 0.405 337 Q N 1.212 120.802 119.800 -0.351 0.000 2.307 337 Q HA 0.453 4.793 4.340 0.000 0.000 0.261 337 Q C 0.626 176.571 176.000 -0.091 0.000 1.051 337 Q CA 0.302 56.010 55.803 -0.159 0.000 0.911 337 Q CB 1.269 30.060 28.738 0.087 0.000 1.227 337 Q HN 0.852 nan 8.270 nan 0.000 0.418 338 A N 1.919 124.707 122.820 -0.053 0.000 2.508 338 A HA 0.047 4.367 4.320 0.000 0.000 0.250 338 A C 1.341 179.022 177.584 0.162 0.000 1.208 338 A CA -0.035 52.031 52.037 0.049 0.000 0.960 338 A CB 0.432 19.423 19.000 -0.016 0.000 1.099 338 A HN 0.687 nan 8.150 nan 0.000 0.542 339 T N -3.079 111.539 114.554 0.107 0.000 3.086 339 T HA 0.209 4.559 4.350 0.000 0.000 0.250 339 T C 0.528 175.276 174.700 0.079 0.000 1.074 339 T CA 0.678 62.849 62.100 0.118 0.000 0.988 339 T CB 0.002 68.939 68.868 0.115 0.000 0.988 339 T HN 0.063 nan 8.240 nan 0.000 0.530 340 S N 3.088 118.811 115.700 0.038 0.000 2.474 340 S HA 0.352 4.822 4.470 0.000 0.000 0.224 340 S C -2.572 172.000 174.600 -0.047 0.000 1.209 340 S CA -1.005 57.207 58.200 0.019 0.000 1.212 340 S CB 0.852 64.087 63.200 0.059 0.000 1.137 340 S HN 0.415 nan 8.310 nan 0.000 0.446 344 R N 0.761 121.284 120.500 0.040 0.000 2.502 344 R HA 0.244 4.584 4.340 0.000 0.000 0.300 344 R C -0.648 175.657 176.300 0.009 0.000 0.984 344 R CA -0.762 55.359 56.100 0.035 0.000 0.882 344 R CB 1.435 31.750 30.300 0.024 0.000 1.180 344 R HN -0.054 nan 8.270 nan 0.000 0.444 345 Y N 3.051 123.307 120.300 -0.073 0.000 2.207 345 Y HA -0.203 4.347 4.550 0.000 0.000 0.287 345 Y C 1.616 177.456 175.900 -0.099 0.000 1.156 345 Y CA 1.830 59.880 58.100 -0.083 0.000 1.182 345 Y CB 0.098 38.510 38.460 -0.081 0.000 0.979 345 Y HN 0.573 nan 8.280 nan 0.000 0.521 346 L N -0.420 120.709 121.223 -0.157 0.000 2.083 346 L HA -0.231 4.109 4.340 0.000 0.000 0.209 346 L C 1.823 178.549 176.870 -0.240 0.000 1.083 346 L CA 1.674 56.358 54.840 -0.260 0.000 0.752 346 L CB -0.604 41.221 42.059 -0.389 0.000 0.899 346 L HN 0.160 nan 8.230 nan 0.000 0.433 347 D N 0.026 120.319 120.400 -0.177 0.000 2.144 347 D HA -0.179 4.461 4.640 0.000 0.000 0.200 347 D C 1.976 178.180 176.300 -0.161 0.000 0.978 347 D CA 0.809 54.738 54.000 -0.119 0.000 0.833 347 D CB -0.111 40.637 40.800 -0.086 0.000 0.961 347 D HN 0.106 nan 8.370 nan 0.000 0.470 348 L N 0.358 121.420 121.223 -0.269 0.000 2.083 348 L HA -0.100 4.240 4.340 0.000 0.000 0.209 348 L C 1.890 178.610 176.870 -0.250 0.000 1.083 348 L CA 1.347 56.011 54.840 -0.293 0.000 0.752 348 L CB -0.394 41.468 42.059 -0.327 0.000 0.899 348 L HN -0.063 nan 8.230 nan 0.000 0.433 349 V N -1.166 118.520 119.914 -0.382 0.000 2.407 349 V HA -0.248 3.872 4.120 0.000 0.000 0.248 349 V C 2.554 178.579 176.094 -0.114 0.000 1.055 349 V CA 1.499 63.639 62.300 -0.266 0.000 1.049 349 V CB -0.493 31.157 31.823 -0.287 0.000 0.662 349 V HN 0.352 nan 8.190 nan 0.000 0.455 350 V N -0.353 119.504 119.914 -0.094 0.000 2.287 350 V HA -0.306 3.814 4.120 0.000 0.000 0.248 350 V C 2.345 178.450 176.094 0.019 0.000 1.053 350 V CA 2.242 64.506 62.300 -0.060 0.000 1.027 350 V CB -0.879 30.913 31.823 -0.051 0.000 0.646 350 V HN 0.643 nan 8.190 nan 0.000 0.447 351 H N -0.349 118.668 119.070 -0.089 0.000 2.387 351 H HA -0.181 4.375 4.556 0.000 0.000 0.299 351 H C 2.505 177.821 175.328 -0.020 0.000 1.090 351 H CA 1.803 57.825 56.048 -0.043 0.000 1.332 351 H CB 0.118 29.861 29.762 -0.032 0.000 1.386 351 H HN 0.550 nan 8.280 nan 0.000 0.516 352 Q N 0.344 120.195 119.800 0.085 0.000 2.084 352 Q HA -0.154 4.186 4.340 0.000 0.000 0.202 352 Q C 2.436 178.468 176.000 0.053 0.000 0.978 352 Q CA 0.956 56.790 55.803 0.052 0.000 0.844 352 Q CB 0.098 28.845 28.738 0.015 0.000 0.898 352 Q HN 0.453 nan 8.270 nan 0.000 0.426 353 Q N 0.428 120.247 119.800 0.032 0.000 2.079 353 Q HA -0.103 4.237 4.340 0.000 0.000 0.200 353 Q C 2.251 178.306 176.000 0.091 0.000 0.974 353 Q CA 1.113 56.941 55.803 0.042 0.000 0.840 353 Q CB -0.175 28.558 28.738 -0.009 0.000 0.898 353 Q HN 0.435 nan 8.270 nan 0.000 0.430 354 L N 0.326 121.588 121.223 0.065 0.000 2.056 354 L HA -0.158 4.182 4.340 0.000 0.000 0.207 354 L C 2.526 179.497 176.870 0.168 0.000 1.078 354 L CA 0.896 55.810 54.840 0.122 0.000 0.749 354 L CB -0.357 41.697 42.059 -0.009 0.000 0.901 354 L HN 0.096 nan 8.230 nan 0.000 0.433 355 R N 0.219 120.778 120.500 0.098 0.000 2.092 355 R HA -0.056 4.284 4.340 0.000 0.000 0.231 355 R C 2.289 178.651 176.300 0.103 0.000 1.119 355 R CA 1.357 57.513 56.100 0.094 0.000 0.970 355 R CB -0.901 29.447 30.300 0.079 0.000 0.864 355 R HN 0.352 nan 8.270 nan 0.000 0.440 356 A N 0.427 123.315 122.820 0.113 0.000 1.902 356 A HA -0.168 4.152 4.320 0.000 0.000 0.217 356 A C 2.051 179.707 177.584 0.121 0.000 1.181 356 A CA 1.127 53.223 52.037 0.099 0.000 0.623 356 A CB -0.652 18.406 19.000 0.097 0.000 0.818 356 A HN 0.298 nan 8.150 nan 0.000 0.443 357 F N 0.206 120.185 119.950 0.048 0.000 2.113 357 F HA -0.114 4.413 4.527 0.000 0.000 0.297 357 F C 1.762 177.604 175.800 0.071 0.000 1.103 357 F CA 1.454 59.488 58.000 0.057 0.000 1.248 357 F CB -0.265 38.785 39.000 0.084 0.000 0.999 357 F HN 0.129 nan 8.300 nan 0.000 0.475 358 L N 0.616 121.921 121.223 0.136 0.000 2.079 358 L HA -0.114 4.226 4.340 0.000 0.000 0.210 358 L C 2.492 179.327 176.870 -0.060 0.000 1.081 358 L CA 1.838 56.699 54.840 0.036 0.000 0.752 358 L CB -1.633 40.490 42.059 0.106 0.000 0.896 358 L HN 0.243 nan 8.230 nan 0.000 0.433 359 A N -1.147 121.654 122.820 -0.032 0.000 2.252 359 A HA 0.373 4.693 4.320 0.000 0.000 0.207 359 A C 1.798 179.335 177.584 -0.078 0.000 1.194 359 A CA 0.695 52.710 52.037 -0.037 0.000 0.809 359 A CB -0.920 18.079 19.000 -0.002 0.000 0.814 359 A HN 0.542 nan 8.150 nan 0.000 0.482 360 G N -0.702 108.000 108.800 -0.162 0.000 2.155 360 G HA2 -0.296 3.664 3.960 0.000 0.000 0.257 360 G HA3 -0.296 3.664 3.960 0.000 0.000 0.257 360 G C 0.450 175.287 174.900 -0.105 0.000 0.983 360 G CA 0.694 45.682 45.100 -0.185 0.000 0.676 360 G HN 0.674 nan 8.290 nan 0.000 0.528 361 R N -0.083 120.382 120.500 -0.059 0.000 2.541 361 R HA 0.484 4.824 4.340 0.000 0.000 0.254 361 R C -0.544 175.768 176.300 0.020 0.000 1.130 361 R CA -0.629 55.465 56.100 -0.010 0.000 1.152 361 R CB 0.478 30.784 30.300 0.010 0.000 1.222 361 R HN 0.134 nan 8.270 nan 0.000 0.579 362 D N 1.906 122.326 120.400 0.034 0.000 2.280 362 D HA 0.233 4.873 4.640 0.000 0.000 0.243 362 D C -2.068 174.272 176.300 0.066 0.000 1.129 362 D CA -1.233 52.800 54.000 0.054 0.000 0.848 362 D CB 1.329 42.151 40.800 0.037 0.000 1.107 362 D HN 0.161 nan 8.370 nan 0.000 0.471 363 P HA 0.156 nan 4.420 nan 0.000 0.274 363 P C 0.197 177.525 177.300 0.047 0.000 1.256 363 P CA -0.553 62.594 63.100 0.078 0.000 0.795 363 P CB 0.817 32.574 31.700 0.094 0.000 1.038 364 L N 0.172 121.414 121.223 0.031 0.000 2.483 364 L HA 0.095 4.435 4.340 0.000 0.000 0.276 364 L C 1.214 178.083 176.870 -0.002 0.000 1.213 364 L CA -0.113 54.729 54.840 0.003 0.000 0.843 364 L CB -0.060 41.985 42.059 -0.022 0.000 1.107 364 L HN 0.513 nan 8.230 nan 0.000 0.487 365 S N 0.807 116.499 115.700 -0.013 0.000 2.608 365 S HA 0.105 4.575 4.470 0.000 0.000 0.261 365 S C 1.080 175.674 174.600 -0.009 0.000 1.314 365 S CA -0.464 57.733 58.200 -0.004 0.000 0.992 365 S CB 1.304 64.500 63.200 -0.006 0.000 0.935 365 S HN 0.590 nan 8.310 nan 0.000 0.564 366 S N 0.695 116.402 115.700 0.011 0.000 2.399 366 S HA -0.082 4.388 4.470 0.000 0.000 0.231 366 S C 1.905 176.510 174.600 0.007 0.000 1.022 366 S CA 0.930 59.145 58.200 0.025 0.000 0.983 366 S CB -0.413 62.811 63.200 0.040 0.000 0.803 366 S HN 0.717 nan 8.310 nan 0.000 0.480 367 K N 2.173 122.570 120.400 -0.006 0.000 2.002 367 K HA -0.077 4.243 4.320 0.000 0.000 0.209 367 K C 1.235 177.806 176.600 -0.048 0.000 1.048 367 K CA 1.270 57.550 56.287 -0.013 0.000 0.930 367 K CB -0.923 31.572 32.500 -0.009 0.000 0.714 367 K HN 0.387 nan 8.250 nan 0.000 0.438 371 A N 0.018 122.861 122.820 0.039 0.000 1.873 371 A HA -0.060 4.260 4.320 0.000 0.000 0.215 371 A C 1.704 179.405 177.584 0.195 0.000 1.186 371 A CA 1.874 53.962 52.037 0.084 0.000 0.616 371 A CB -1.037 17.995 19.000 0.053 0.000 0.823 371 A HN 0.723 nan 8.150 nan 0.000 0.442 372 H N -0.998 118.113 119.070 0.069 0.000 2.457 372 H HA 0.046 4.602 4.556 0.000 0.000 0.294 372 H C 1.924 177.315 175.328 0.104 0.000 1.064 372 H CA 0.856 56.961 56.048 0.094 0.000 1.330 372 H CB -0.024 29.827 29.762 0.148 0.000 1.395 372 H HN 0.426 nan 8.280 nan 0.000 0.541 373 I N 0.690 121.387 120.570 0.211 0.000 2.202 373 I HA -0.227 3.943 4.170 0.000 0.000 0.242 373 I C 2.790 178.979 176.117 0.120 0.000 1.091 373 I CA 0.804 62.192 61.300 0.147 0.000 1.368 373 I CB -0.217 37.871 38.000 0.146 0.000 1.058 373 I HN 0.261 nan 8.210 nan 0.000 0.410 374 A N 0.389 123.279 122.820 0.116 0.000 1.877 374 A HA -0.282 4.039 4.320 0.000 0.000 0.216 374 A C 2.300 179.920 177.584 0.060 0.000 1.186 374 A CA 2.072 54.162 52.037 0.088 0.000 0.620 374 A CB -0.698 18.350 19.000 0.080 0.000 0.822 374 A HN 0.511 nan 8.150 nan 0.000 0.443 375 E N 0.351 120.584 120.200 0.055 0.000 2.051 375 E HA -0.186 4.164 4.350 0.000 0.000 0.192 375 E C 2.183 178.752 176.600 -0.052 0.000 0.991 375 E CA 1.815 58.216 56.400 0.002 0.000 0.799 375 E CB -0.155 29.541 29.700 -0.008 0.000 0.748 375 E HN 0.722 nan 8.360 nan 0.000 0.449 376 S N 0.169 115.831 115.700 -0.063 0.000 2.387 376 S HA -0.093 4.378 4.470 0.000 0.000 0.226 376 S C 1.312 175.885 174.600 -0.046 0.000 1.026 376 S CA 0.114 58.236 58.200 -0.131 0.000 0.972 376 S CB -0.177 62.956 63.200 -0.112 0.000 0.814 376 S HN 0.145 nan 8.310 nan 0.000 0.477 380 A N 1.568 124.381 122.820 -0.013 0.000 1.902 380 A HA -0.131 4.189 4.320 0.000 0.000 0.217 380 A C 1.642 179.244 177.584 0.029 0.000 1.181 380 A CA 2.022 54.066 52.037 0.011 0.000 0.623 380 A CB -0.454 18.559 19.000 0.022 0.000 0.818 380 A HN 0.203 nan 8.150 nan 0.000 0.443 381 D N 0.203 120.624 120.400 0.034 0.000 2.104 381 D HA -0.111 4.529 4.640 0.000 0.000 0.194 381 D C 2.226 178.546 176.300 0.033 0.000 0.994 381 D CA 1.750 55.775 54.000 0.042 0.000 0.830 381 D CB -0.489 40.337 40.800 0.043 0.000 0.959 381 D HN 0.432 nan 8.370 nan 0.000 0.452 382 A N 0.168 123.003 122.820 0.024 0.000 1.930 382 A HA -0.132 4.188 4.320 0.000 0.000 0.217 382 A C 2.363 179.963 177.584 0.026 0.000 1.175 382 A CA 1.969 54.020 52.037 0.024 0.000 0.627 382 A CB -0.776 18.233 19.000 0.016 0.000 0.815 382 A HN 0.218 nan 8.150 nan 0.000 0.443 383 T N -0.251 114.314 114.554 0.018 0.000 2.737 383 T HA -0.119 4.231 4.350 0.000 0.000 0.265 383 T C 2.061 176.782 174.700 0.036 0.000 1.038 383 T CA 1.433 63.544 62.100 0.018 0.000 1.144 383 T CB -0.233 68.636 68.868 0.002 0.000 0.866 383 T HN 0.486 nan 8.240 nan 0.000 0.434 384 R N 0.695 121.221 120.500 0.043 0.000 2.096 384 R HA -0.085 4.255 4.340 0.000 0.000 0.235 384 R C 2.626 178.954 176.300 0.047 0.000 1.127 384 R CA 1.240 57.374 56.100 0.056 0.000 0.968 384 R CB -0.245 30.092 30.300 0.062 0.000 0.861 384 R HN 0.305 nan 8.270 nan 0.000 0.440 385 Q N 0.816 120.639 119.800 0.038 0.000 2.119 385 Q HA -0.037 4.303 4.340 0.000 0.000 0.201 385 Q C 1.884 177.900 176.000 0.027 0.000 0.972 385 Q CA 1.805 57.624 55.803 0.026 0.000 0.847 385 Q CB -0.163 28.591 28.738 0.027 0.000 0.903 385 Q HN 0.300 nan 8.270 nan 0.000 0.433 386 A N 0.351 123.201 122.820 0.050 0.000 1.933 386 A HA -0.223 4.097 4.320 0.000 0.000 0.218 386 A C 2.033 179.660 177.584 0.071 0.000 1.175 386 A CA 1.680 53.765 52.037 0.079 0.000 0.628 386 A CB -0.705 18.341 19.000 0.077 0.000 0.814 386 A HN 0.615 nan 8.150 nan 0.000 0.444 387 E N -0.304 119.934 120.200 0.063 0.000 2.047 387 E HA -0.191 4.159 4.350 0.000 0.000 0.191 387 E C 2.255 178.893 176.600 0.063 0.000 0.987 387 E CA 1.010 57.458 56.400 0.079 0.000 0.799 387 E CB -0.095 29.663 29.700 0.097 0.000 0.752 387 E HN 0.597 nan 8.360 nan 0.000 0.449 388 R N 0.067 120.589 120.500 0.035 0.000 2.081 388 R HA -0.107 4.233 4.340 0.000 0.000 0.235 388 R C 2.571 178.853 176.300 -0.031 0.000 1.131 388 R CA 1.313 57.422 56.100 0.014 0.000 0.960 388 R CB -0.280 30.021 30.300 0.003 0.000 0.856 388 R HN 0.263 nan 8.270 nan 0.000 0.436 389 L N -0.038 121.119 121.223 -0.110 0.000 2.056 389 L HA -0.142 4.198 4.340 0.000 0.000 0.207 389 L C 2.354 179.086 176.870 -0.229 0.000 1.078 389 L CA 1.131 55.772 54.840 -0.331 0.000 0.749 389 L CB -0.322 41.330 42.059 -0.678 0.000 0.901 389 L HN 0.129 nan 8.230 nan 0.000 0.433 390 S N -0.453 115.237 115.700 -0.017 0.000 2.382 390 S HA -0.134 4.336 4.470 0.000 0.000 0.228 390 S C 2.049 176.764 174.600 0.191 0.000 1.027 390 S CA 1.063 59.348 58.200 0.142 0.000 0.991 390 S CB -0.182 63.126 63.200 0.180 0.000 0.823 390 S HN 0.348 nan 8.310 nan 0.000 0.469 391 R N 0.868 121.450 120.500 0.135 0.000 2.092 391 R HA 0.021 4.361 4.340 0.000 0.000 0.231 391 R C 2.584 178.954 176.300 0.118 0.000 1.119 391 R CA 1.187 57.371 56.100 0.140 0.000 0.970 391 R CB -0.211 30.146 30.300 0.096 0.000 0.864 391 R HN 0.311 nan 8.270 nan 0.000 0.440 392 R N 0.124 120.675 120.500 0.085 0.000 2.092 392 R HA -0.179 4.161 4.340 0.000 0.000 0.231 392 R C 2.351 178.684 176.300 0.055 0.000 1.119 392 R CA 1.529 57.684 56.100 0.093 0.000 0.970 392 R CB -0.399 29.948 30.300 0.078 0.000 0.864 392 R HN 0.347 nan 8.270 nan 0.000 0.440 393 H N 0.300 119.346 119.070 -0.041 0.000 2.265 393 H HA -0.188 4.368 4.556 0.000 0.000 0.295 393 H C 1.624 176.865 175.328 -0.145 0.000 1.084 393 H CA 2.258 58.261 56.048 -0.076 0.000 1.261 393 H CB -0.282 29.439 29.762 -0.069 0.000 1.360 393 H HN 0.421 nan 8.280 nan 0.000 0.487 394 H N -0.392 118.809 119.070 0.218 0.000 2.457 394 H HA -0.052 4.504 4.556 0.000 0.000 0.294 394 H C 2.168 177.483 175.328 -0.023 0.000 1.064 394 H CA 1.431 57.545 56.048 0.109 0.000 1.330 394 H CB -0.218 29.605 29.762 0.103 0.000 1.395 394 H HN 0.383 nan 8.280 nan 0.000 0.541 395 T N 1.415 115.977 114.554 0.014 0.000 2.788 395 T HA -0.067 4.283 4.350 0.000 0.000 0.268 395 T C 2.405 176.944 174.700 -0.268 0.000 1.044 395 T CA 0.593 62.612 62.100 -0.134 0.000 1.139 395 T CB -0.208 68.537 68.868 -0.204 0.000 0.867 395 T HN 0.207 nan 8.240 nan 0.000 0.454 396 L N 0.300 121.344 121.223 -0.297 0.000 2.141 396 L HA -0.052 4.288 4.340 0.000 0.000 0.209 396 L C 2.837 179.569 176.870 -0.229 0.000 1.094 396 L CA 1.259 55.886 54.840 -0.353 0.000 0.763 396 L CB -0.444 41.448 42.059 -0.279 0.000 0.908 396 L HN 0.167 nan 8.230 nan 0.000 0.437 397 R N -0.863 119.552 120.500 -0.141 0.000 2.075 397 R HA -0.174 4.166 4.340 0.000 0.000 0.232 397 R C 2.273 178.594 176.300 0.035 0.000 1.126 397 R CA 1.445 57.518 56.100 -0.045 0.000 0.963 397 R CB -0.439 29.887 30.300 0.044 0.000 0.858 397 R HN 0.165 nan 8.270 nan 0.000 0.435 398 F N 1.565 121.447 119.950 -0.114 0.000 2.134 398 F HA -0.135 4.392 4.527 0.000 0.000 0.299 398 F C 1.933 177.696 175.800 -0.062 0.000 1.097 398 F CA 1.201 59.150 58.000 -0.085 0.000 1.264 398 F CB -0.220 38.706 39.000 -0.125 0.000 1.001 398 F HN -0.115 nan 8.300 nan 0.000 0.479 399 I N 0.014 120.470 120.570 -0.191 0.000 2.179 399 I HA -0.304 3.866 4.170 0.000 0.000 0.242 399 I C 2.632 178.674 176.117 -0.125 0.000 1.088 399 I CA 1.318 62.451 61.300 -0.277 0.000 1.357 399 I CB -0.939 36.675 38.000 -0.643 0.000 1.051 399 I HN 0.175 nan 8.210 nan 0.000 0.409 400 A N 0.572 123.319 122.820 -0.123 0.000 2.070 400 A HA -0.113 4.207 4.320 0.000 0.000 0.220 400 A C 2.386 179.947 177.584 -0.039 0.000 1.159 400 A CA 1.690 53.692 52.037 -0.059 0.000 0.656 400 A CB -0.655 18.308 19.000 -0.063 0.000 0.800 400 A HN 0.462 nan 8.150 nan 0.000 0.453 401 A N -1.208 121.575 122.820 -0.061 0.000 2.167 401 A HA 0.072 4.392 4.320 0.000 0.000 0.214 401 A C 1.172 178.711 177.584 -0.076 0.000 1.151 401 A CA 0.762 52.767 52.037 -0.053 0.000 0.735 401 A CB -0.114 18.865 19.000 -0.036 0.000 0.802 401 A HN 0.615 nan 8.150 nan 0.000 0.467 402 Q N -0.406 119.341 119.800 -0.089 0.000 2.928 402 Q HA 0.157 4.497 4.340 0.000 0.000 0.353 402 Q C -2.066 173.935 176.000 0.002 0.000 0.870 402 Q CA -1.800 53.954 55.803 -0.083 0.000 0.963 402 Q CB 1.165 29.795 28.738 -0.179 0.000 1.419 402 Q HN 0.351 nan 8.270 nan 0.000 0.396 403 P HA -0.251 nan 4.420 nan 0.000 0.218 403 P C 1.002 178.323 177.300 0.035 0.000 1.148 403 P CA 1.495 64.625 63.100 0.051 0.000 0.822 403 P CB 0.395 32.112 31.700 0.028 0.000 0.784 404 E N 0.666 120.858 120.200 -0.013 0.000 2.427 404 E HA -0.111 4.239 4.350 0.000 0.000 0.196 404 E C 1.055 177.604 176.600 -0.084 0.000 1.028 404 E CA 0.182 56.559 56.400 -0.039 0.000 0.864 404 E CB -0.792 28.879 29.700 -0.049 0.000 0.813 404 E HN 0.217 nan 8.360 nan 0.000 0.514 405 R N 0.837 121.261 120.500 -0.128 0.000 2.537 405 R HA 0.247 4.587 4.340 0.000 0.000 0.280 405 R C -0.843 175.265 176.300 -0.320 0.000 1.058 405 R CA -0.182 55.727 56.100 -0.318 0.000 1.057 405 R CB 0.814 30.765 30.300 -0.582 0.000 0.973 405 R HN -0.088 nan 8.270 nan 0.000 0.438 406 V N 5.572 125.268 119.914 -0.364 0.000 2.370 406 V HA 0.300 4.420 4.120 0.000 0.000 0.283 406 V C -0.759 175.165 176.094 -0.283 0.000 1.023 406 V CA -0.601 61.575 62.300 -0.207 0.000 0.857 406 V CB 0.964 32.719 31.823 -0.114 0.000 0.985 406 V HN 0.727 nan 8.190 nan 0.000 0.443 407 W N 1.932 123.225 121.300 -0.010 0.000 2.449 407 W HA 0.508 5.168 4.660 0.000 0.000 0.331 407 W C 0.133 176.657 176.519 0.008 0.000 1.119 407 W CA -0.712 56.654 57.345 0.034 0.000 1.240 407 W CB 0.542 30.077 29.460 0.124 0.000 1.251 407 W HN 0.416 nan 8.180 nan 0.000 0.576 408 D N 1.484 122.042 120.400 0.262 0.000 2.264 408 D HA 0.505 5.145 4.640 0.000 0.000 0.250 408 D C -0.245 176.149 176.300 0.157 0.000 1.113 408 D CA 0.242 54.332 54.000 0.150 0.000 0.871 408 D CB 1.451 42.318 40.800 0.112 0.000 1.167 408 D HN 0.407 nan 8.370 nan 0.000 0.447 409 A N 1.795 124.666 122.820 0.086 0.000 2.479 409 A HA 0.749 5.069 4.320 0.000 0.000 0.296 409 A C -1.052 176.533 177.584 0.002 0.000 1.121 409 A CA -0.616 51.450 52.037 0.048 0.000 0.743 409 A CB 1.697 20.712 19.000 0.025 0.000 1.323 409 A HN 0.313 nan 8.150 nan 0.000 0.415 410 V N 0.292 120.183 119.914 -0.038 0.000 2.841 410 V HA 0.401 4.521 4.120 0.000 0.000 0.310 410 V C -0.503 175.515 176.094 -0.128 0.000 1.090 410 V CA -0.661 61.600 62.300 -0.064 0.000 0.930 410 V CB 1.931 33.723 31.823 -0.052 0.000 1.014 410 V HN 0.700 nan 8.190 nan 0.000 0.425 411 V N 4.961 124.806 119.914 -0.116 0.000 2.427 411 V HA 0.128 4.248 4.120 0.000 0.000 0.268 411 V C 0.932 176.911 176.094 -0.192 0.000 1.046 411 V CA 0.429 62.639 62.300 -0.151 0.000 0.970 411 V CB 1.226 32.990 31.823 -0.098 0.000 1.001 411 V HN 0.847 nan 8.190 nan 0.000 0.476 412 V N 0.301 120.011 119.914 -0.339 0.000 3.528 412 V HA 0.508 4.628 4.120 0.000 0.000 0.294 412 V C 0.169 176.075 176.094 -0.313 0.000 1.404 412 V CA 0.353 62.414 62.300 -0.398 0.000 1.065 412 V CB 0.420 31.760 31.823 -0.806 0.000 0.904 412 V HN 0.782 nan 8.190 nan 0.000 0.435 413 D N -0.450 119.805 120.400 -0.243 0.000 2.755 413 D HA 0.460 5.100 4.640 0.000 0.000 0.277 413 D C -1.244 175.019 176.300 -0.062 0.000 1.261 413 D CA -0.500 53.452 54.000 -0.080 0.000 0.759 413 D CB 1.964 42.774 40.800 0.016 0.000 1.279 413 D HN 0.197 nan 8.370 nan 0.000 0.420 414 R N 0.698 121.191 120.500 -0.012 0.000 2.771 414 R HA 0.666 5.006 4.340 0.000 0.000 0.274 414 R C -0.670 175.634 176.300 0.007 0.000 0.987 414 R CA -0.919 55.174 56.100 -0.013 0.000 0.908 414 R CB 2.553 32.845 30.300 -0.013 0.000 1.213 414 R HN 0.325 nan 8.270 nan 0.000 0.468 415 R N 1.064 121.565 120.500 0.002 0.000 2.855 415 R HA 0.268 4.609 4.340 0.000 0.000 0.261 415 R C -0.052 176.250 176.300 0.004 0.000 1.826 415 R CA 0.625 56.731 56.100 0.009 0.000 1.435 415 R CB 0.693 31.002 30.300 0.015 0.000 1.383 415 R HN 0.964 nan 8.270 nan 0.000 0.583 416 G N 1.580 110.382 108.800 0.003 0.000 2.552 416 G HA2 -0.396 3.565 3.960 0.000 0.000 0.267 416 G HA3 -0.396 3.565 3.960 0.000 0.000 0.267 416 G C 0.533 175.430 174.900 -0.003 0.000 1.174 416 G CA 0.113 45.213 45.100 0.001 0.000 0.955 416 G HN 0.668 nan 8.290 nan 0.000 0.546 417 A N 0.266 123.083 122.820 -0.004 0.000 2.275 417 A HA 0.538 4.858 4.320 0.000 0.000 0.212 417 A C 1.166 178.743 177.584 -0.011 0.000 1.201 417 A CA 1.692 53.724 52.037 -0.007 0.000 0.843 417 A CB -0.011 18.986 19.000 -0.006 0.000 0.873 417 A HN 0.718 nan 8.150 nan 0.000 0.492 418 Q N 0.035 119.829 119.800 -0.010 0.000 2.235 418 Q HA 0.613 4.953 4.340 0.000 0.000 0.250 418 Q C -0.655 175.331 176.000 -0.023 0.000 0.909 418 Q CA -0.310 55.485 55.803 -0.014 0.000 0.910 418 Q CB 1.276 30.010 28.738 -0.008 0.000 1.223 418 Q HN 0.382 nan 8.270 nan 0.000 0.432 419 A N 1.895 124.694 122.820 -0.036 0.000 2.374 419 A HA 0.586 4.906 4.320 0.000 0.000 0.317 419 A C -0.680 176.857 177.584 -0.078 0.000 1.094 419 A CA -0.706 51.297 52.037 -0.056 0.000 0.765 419 A CB 1.441 20.405 19.000 -0.061 0.000 1.268 419 A HN 0.747 nan 8.150 nan 0.000 0.438 420 T N 0.907 115.390 114.554 -0.119 0.000 2.728 420 T HA 0.594 4.944 4.350 0.000 0.000 0.296 420 T C -0.341 174.205 174.700 -0.256 0.000 0.940 420 T CA -0.320 61.675 62.100 -0.175 0.000 1.013 420 T CB -0.159 68.578 68.868 -0.219 0.000 0.912 420 T HN 0.417 nan 8.240 nan 0.000 0.484 421 L N 4.161 125.265 121.223 -0.198 0.000 2.296 421 L HA 0.537 4.877 4.340 0.000 0.000 0.286 421 L C -0.366 176.385 176.870 -0.198 0.000 1.023 421 L CA -1.291 53.440 54.840 -0.182 0.000 0.812 421 L CB 1.537 43.539 42.059 -0.096 0.000 1.223 421 L HN 0.541 nan 8.230 nan 0.000 0.421 422 L N 4.789 125.865 121.223 -0.246 0.000 2.295 422 L HA 0.515 4.855 4.340 0.000 0.000 0.285 422 L C -0.647 176.218 176.870 -0.010 0.000 1.035 422 L CA 0.005 54.737 54.840 -0.180 0.000 0.806 422 L CB 1.314 43.186 42.059 -0.312 0.000 1.214 422 L HN 0.359 nan 8.230 nan 0.000 0.426 423 I N 8.396 129.024 120.570 0.097 0.000 2.337 423 I HA 0.373 4.543 4.170 0.000 0.000 0.285 423 I C -1.631 174.581 176.117 0.158 0.000 1.041 423 I CA -1.806 59.589 61.300 0.158 0.000 1.199 423 I CB 1.183 39.306 38.000 0.206 0.000 1.370 423 I HN 0.538 nan 8.210 nan 0.000 0.470 424 P HA -0.184 nan 4.420 nan 0.000 0.216 424 P C 0.762 178.158 177.300 0.160 0.000 1.154 424 P CA 1.365 64.549 63.100 0.140 0.000 0.865 424 P CB 0.224 31.995 31.700 0.119 0.000 0.789 425 D N -1.647 118.878 120.400 0.209 0.000 2.378 425 D HA -0.028 4.612 4.640 0.000 0.000 0.222 425 D C 1.394 177.817 176.300 0.205 0.000 0.980 425 D CA 0.865 55.013 54.000 0.247 0.000 0.907 425 D CB -0.143 40.884 40.800 0.380 0.000 0.899 425 D HN 0.277 nan 8.370 nan 0.000 0.527 426 L N -1.197 120.104 121.223 0.130 0.000 3.039 426 L HA 0.324 4.664 4.340 0.000 0.000 0.269 426 L C 0.813 177.750 176.870 0.113 0.000 1.169 426 L CA -0.082 54.780 54.840 0.036 0.000 0.986 426 L CB 0.412 42.367 42.059 -0.172 0.000 1.377 426 L HN -0.141 nan 8.230 nan 0.000 0.575 427 A N 0.981 123.892 122.820 0.152 0.000 2.704 427 A HA -0.288 4.033 4.320 0.000 0.000 0.299 427 A C -0.124 177.603 177.584 0.237 0.000 1.507 427 A CA 0.989 53.131 52.037 0.175 0.000 0.776 427 A CB -2.284 16.795 19.000 0.132 0.000 1.027 427 A HN 0.378 nan 8.150 nan 0.000 0.475 428 F N 1.016 120.987 119.950 0.034 0.000 2.529 428 F HA 0.594 5.121 4.527 0.000 0.000 0.320 428 F C -0.279 175.550 175.800 0.048 0.000 1.118 428 F CA -0.608 57.399 58.000 0.011 0.000 0.915 428 F CB 1.382 40.314 39.000 -0.113 0.000 1.161 428 F HN 0.396 nan 8.300 nan 0.000 0.445 429 D N 4.833 125.010 120.400 -0.371 0.000 2.433 429 D HA 0.614 5.255 4.640 0.000 0.000 0.236 429 D C -1.337 174.735 176.300 -0.380 0.000 1.026 429 D CA -0.576 53.279 54.000 -0.242 0.000 0.884 429 D CB 2.449 43.193 40.800 -0.094 0.000 1.384 429 D HN 0.509 nan 8.370 nan 0.000 0.477 430 V N -2.671 117.154 119.914 -0.148 0.000 3.147 430 V HA 0.462 4.582 4.120 0.000 0.000 0.306 430 V C -1.030 175.038 176.094 -0.043 0.000 1.209 430 V CA -1.079 61.182 62.300 -0.066 0.000 1.023 430 V CB 1.904 33.810 31.823 0.139 0.000 1.059 430 V HN 0.486 nan 8.190 nan 0.000 0.435 431 Q N 1.307 121.095 119.800 -0.021 0.000 2.267 431 Q HA 0.773 5.113 4.340 0.000 0.000 0.255 431 Q C -0.781 175.211 176.000 -0.013 0.000 0.923 431 Q CA -0.259 55.531 55.803 -0.021 0.000 0.925 431 Q CB 1.874 30.607 28.738 -0.008 0.000 1.195 431 Q HN 0.769 nan 8.270 nan 0.000 0.417 432 V N 2.477 122.374 119.914 -0.028 0.000 2.808 432 V HA 0.258 4.378 4.120 0.000 0.000 0.308 432 V C -0.353 175.724 176.094 -0.028 0.000 1.099 432 V CA -1.049 61.234 62.300 -0.028 0.000 0.920 432 V CB 2.312 34.109 31.823 -0.044 0.000 1.014 432 V HN 0.754 nan 8.190 nan 0.000 0.425 433 N N 2.421 121.108 118.700 -0.021 0.000 2.438 433 N HA 0.400 5.140 4.740 0.000 0.000 0.267 433 N C -0.355 175.141 175.510 -0.023 0.000 1.222 433 N CA 0.333 53.372 53.050 -0.019 0.000 0.930 433 N CB 0.606 39.085 38.487 -0.013 0.000 1.083 433 N HN 0.769 nan 8.380 nan 0.000 0.476 434 T N 1.160 115.699 114.554 -0.024 0.000 3.343 434 T HA 0.169 4.520 4.350 0.000 0.000 0.383 434 T C -2.604 172.081 174.700 -0.024 0.000 1.615 434 T CA -1.133 60.952 62.100 -0.025 0.000 1.153 434 T CB 1.554 70.402 68.868 -0.033 0.000 1.434 434 T HN 0.191 nan 8.240 nan 0.000 0.476 435 P HA 0.298 nan 4.420 nan 0.000 0.249 435 P C 0.523 177.811 177.300 -0.020 0.000 1.229 435 P CA -0.064 63.025 63.100 -0.018 0.000 0.788 435 P CB -0.264 31.428 31.700 -0.014 0.000 1.072 436 A N 0.821 123.626 122.820 -0.025 0.000 2.567 436 A HA 0.359 4.679 4.320 0.000 0.000 0.240 436 A C 0.889 178.456 177.584 -0.029 0.000 1.053 436 A CA 0.091 52.112 52.037 -0.027 0.000 0.755 436 A CB -0.248 18.732 19.000 -0.032 0.000 0.978 436 A HN 0.351 nan 8.150 nan 0.000 0.507 437 A N 4.447 127.253 122.820 -0.024 0.000 2.346 437 A HA 0.605 4.925 4.320 0.000 0.000 0.252 437 A C -2.283 175.283 177.584 -0.030 0.000 1.089 437 A CA -1.419 50.605 52.037 -0.022 0.000 0.797 437 A CB -0.440 18.552 19.000 -0.015 0.000 1.047 437 A HN 0.654 nan 8.150 nan 0.000 0.494 438 P HA 0.267 nan 4.420 nan 0.000 0.265 438 P C 0.915 178.197 177.300 -0.030 0.000 1.193 438 P CA 1.983 65.061 63.100 -0.037 0.000 0.765 438 P CB 0.635 32.322 31.700 -0.022 0.000 0.823 439 G N 1.394 110.170 108.800 -0.040 0.000 2.195 439 G HA2 -0.208 3.752 3.960 0.000 0.000 0.246 439 G HA3 -0.208 3.752 3.960 0.000 0.000 0.246 439 G C 0.270 175.155 174.900 -0.025 0.000 0.984 439 G CA -0.063 45.021 45.100 -0.026 0.000 0.633 439 G HN 0.581 nan 8.290 nan 0.000 0.525 440 T N 1.809 116.344 114.554 -0.032 0.000 2.851 440 T HA 0.575 4.925 4.350 0.000 0.000 0.298 440 T C 0.674 175.358 174.700 -0.027 0.000 0.977 440 T CA 0.591 62.675 62.100 -0.026 0.000 1.126 440 T CB 1.541 70.392 68.868 -0.028 0.000 0.916 440 T HN 1.308 nan 8.240 nan 0.000 0.529 441 A N 4.508 127.318 122.820 -0.017 0.000 2.366 441 A HA 0.685 5.006 4.320 0.000 0.000 0.272 441 A C -0.235 177.342 177.584 -0.012 0.000 1.135 441 A CA -0.470 51.561 52.037 -0.010 0.000 0.804 441 A CB 0.014 19.014 19.000 -0.001 0.000 1.064 441 A HN 0.841 nan 8.150 nan 0.000 0.499 442 L N 1.265 122.481 121.223 -0.011 0.000 2.359 442 L HA 0.523 4.863 4.340 0.000 0.000 0.256 442 L C -0.769 176.100 176.870 -0.002 0.000 1.026 442 L CA -1.050 53.781 54.840 -0.015 0.000 0.828 442 L CB 2.239 44.280 42.059 -0.030 0.000 1.406 442 L HN 0.627 nan 8.230 nan 0.000 0.413 443 Q N 0.774 120.568 119.800 -0.010 0.000 2.312 443 Q HA 0.701 5.041 4.340 0.000 0.000 0.263 443 Q C -1.099 174.886 176.000 -0.025 0.000 0.995 443 Q CA -0.325 55.477 55.803 -0.000 0.000 0.853 443 Q CB 2.720 31.452 28.738 -0.011 0.000 1.300 443 Q HN 0.336 nan 8.270 nan 0.000 0.448 444 V N 2.080 121.984 119.914 -0.018 0.000 2.962 444 V HA 0.572 4.693 4.120 0.000 0.000 0.313 444 V C -1.537 174.482 176.094 -0.126 0.000 1.099 444 V CA -0.460 61.764 62.300 -0.128 0.000 0.971 444 V CB 2.356 34.022 31.823 -0.262 0.000 1.028 444 V HN 0.792 nan 8.190 nan 0.000 0.430 445 Q N 3.205 122.879 119.800 -0.211 0.000 2.377 445 Q HA 0.576 4.916 4.340 0.000 0.000 0.271 445 Q C -1.903 173.938 176.000 -0.264 0.000 1.077 445 Q CA -0.456 55.283 55.803 -0.107 0.000 0.820 445 Q CB 2.901 31.630 28.738 -0.015 0.000 1.347 445 Q HN 0.690 nan 8.270 nan 0.000 0.444 446 F N 0.435 120.461 119.950 0.126 0.000 2.507 446 F HA 0.817 5.344 4.527 0.000 0.000 0.327 446 F C 0.231 176.057 175.800 0.043 0.000 1.068 446 F CA -0.530 57.507 58.000 0.061 0.000 0.965 446 F CB 1.923 40.929 39.000 0.010 0.000 1.192 446 F HN 0.588 nan 8.300 nan 0.000 0.476 447 A N 0.511 123.466 122.820 0.227 0.000 2.602 447 A HA 0.617 4.937 4.320 0.000 0.000 0.290 447 A C -1.368 176.274 177.584 0.097 0.000 1.114 447 A CA -0.917 51.194 52.037 0.125 0.000 0.683 447 A CB 0.815 19.863 19.000 0.079 0.000 1.281 447 A HN 0.756 nan 8.150 nan 0.000 0.416 448 D N -0.363 120.072 120.400 0.059 0.000 2.803 448 D HA -0.149 4.491 4.640 0.000 0.000 0.233 448 D C -0.551 175.769 176.300 0.034 0.000 1.182 448 D CA 1.072 55.096 54.000 0.040 0.000 0.726 448 D CB -1.242 39.582 40.800 0.040 0.000 0.987 448 D HN 0.411 nan 8.370 nan 0.000 0.412 449 I N 1.312 121.891 120.570 0.014 0.000 2.416 449 I HA 0.084 4.254 4.170 0.000 0.000 0.288 449 I C 0.843 176.945 176.117 -0.026 0.000 1.051 449 I CA 0.104 61.395 61.300 -0.016 0.000 1.375 449 I CB 0.814 38.778 38.000 -0.060 0.000 1.407 449 I HN -0.033 nan 8.210 nan 0.000 0.516 450 D N 6.877 127.263 120.400 -0.023 0.000 2.461 450 D HA 0.224 4.864 4.640 0.000 0.000 0.240 450 D C 0.797 177.067 176.300 -0.049 0.000 1.094 450 D CA -0.305 53.676 54.000 -0.030 0.000 0.868 450 D CB 1.082 41.877 40.800 -0.008 0.000 1.062 450 D HN 0.406 nan 8.370 nan 0.000 0.530 451 L N 3.962 125.129 121.223 -0.093 0.000 2.027 451 L HA -0.054 4.286 4.340 0.000 0.000 0.206 451 L C -0.540 176.297 176.870 -0.056 0.000 1.074 451 L CA 1.037 55.803 54.840 -0.124 0.000 0.745 451 L CB -1.234 40.713 42.059 -0.186 0.000 0.898 451 L HN 0.354 nan 8.230 nan 0.000 0.433 452 P HA -0.142 nan 4.420 nan 0.000 0.217 452 P C 0.448 177.803 177.300 0.091 0.000 1.148 452 P CA 1.202 64.212 63.100 -0.149 0.000 0.828 452 P CB 0.090 31.657 31.700 -0.222 0.000 0.783 456 V N -1.946 118.033 119.914 0.108 0.000 3.178 456 V HA 0.688 4.808 4.120 0.000 0.000 0.302 456 V C -0.978 175.217 176.094 0.168 0.000 1.262 456 V CA -1.295 61.082 62.300 0.129 0.000 1.030 456 V CB 2.348 34.255 31.823 0.140 0.000 1.074 456 V HN 0.852 nan 8.190 nan 0.000 0.438 457 R N 1.379 121.978 120.500 0.166 0.000 2.338 457 R HA 0.860 5.200 4.340 0.000 0.000 0.317 457 R C -0.241 176.158 176.300 0.165 0.000 0.968 457 R CA -0.081 56.099 56.100 0.134 0.000 0.849 457 R CB 1.931 32.279 30.300 0.080 0.000 1.128 457 R HN 1.163 nan 8.270 nan 0.000 0.448 458 A N 3.324 126.212 122.820 0.114 0.000 2.322 458 A HA 0.787 5.107 4.320 0.000 0.000 0.327 458 A C -0.687 176.854 177.584 -0.072 0.000 1.134 458 A CA -0.861 51.153 52.037 -0.037 0.000 0.831 458 A CB 1.163 20.116 19.000 -0.078 0.000 1.288 458 A HN 0.886 nan 8.150 nan 0.000 0.472 459 R N -0.073 120.343 120.500 -0.140 0.000 2.604 459 R HA 0.583 4.923 4.340 0.000 0.000 0.270 459 R C -1.009 175.229 176.300 -0.104 0.000 1.052 459 R CA -0.378 55.668 56.100 -0.089 0.000 0.902 459 R CB 1.283 31.551 30.300 -0.052 0.000 1.233 459 R HN 0.596 nan 8.270 nan 0.000 0.455 460 S N 1.725 117.381 115.700 -0.073 0.000 2.505 460 S HA 0.187 4.657 4.470 0.000 0.000 0.276 460 S C -0.120 174.450 174.600 -0.049 0.000 1.274 460 S CA -0.580 57.583 58.200 -0.062 0.000 1.053 460 S CB 0.884 64.056 63.200 -0.048 0.000 0.919 460 S HN 0.438 nan 8.310 nan 0.000 0.490 461 V N 7.544 127.431 119.914 -0.047 0.000 2.532 461 V HA 0.475 4.595 4.120 0.000 0.000 0.295 461 V C 0.366 176.443 176.094 -0.029 0.000 1.041 461 V CA -0.638 61.640 62.300 -0.036 0.000 0.926 461 V CB 0.781 32.582 31.823 -0.037 0.000 0.992 461 V HN 1.090 nan 8.190 nan 0.000 0.457 462 L N 3.877 125.085 121.223 -0.024 0.000 3.678 462 L HA -0.178 4.162 4.340 0.000 0.000 0.425 462 L C 0.773 177.631 176.870 -0.019 0.000 1.240 462 L CA 0.709 55.537 54.840 -0.021 0.000 0.876 462 L CB -1.279 40.767 42.059 -0.021 0.000 1.766 462 L HN 0.803 nan 8.230 nan 0.000 0.917 463 E N 0.000 120.188 120.200 -0.020 0.000 2.725 463 E HA 0.000 4.350 4.350 0.000 0.000 0.291 463 E CA 0.000 56.388 56.400 -0.019 0.000 0.976 463 E CB 0.000 29.687 29.700 -0.021 0.000 0.812 463 E HN 0.000 nan 8.360 nan 0.000 0.440