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 1csc_1_A DATA FIRST_RESID 1 DATA SEQUENCE ASSTNLKDVL AALIPKEQAR IKTFRQQHGG TALGQITVDM SYGGMRGMKG DATA SEQUENCE LVYETSVLDP DEGIRFRGFS IPECQKLLPK GGXGGEPLPE GLFWLLVTGQ DATA SEQUENCE IPTGAQVSWL SKEWAKRAAL PSHVVTMLDN FPTNLHPMSQ LSAAITALNS DATA SEQUENCE ESNFARAYAE GILRTKYWEM VYESAMDLIA KLPCVAAKIY RNLYRAGSSI DATA SEQUENCE GAIDSKLDWS HNFTNMLGYT DAQFTELMRL YLTIHSDHEG GNVSAHTSHL DATA SEQUENCE VGSALSDPYL SFAAAMNGLA GPLHGLANQE VLGWLAQLQK AXXXAGADAS DATA SEQUENCE LRDYIWNTLN SGRVVPGYGH AVLRKTDPRY TCQREFALKH LPGDPMFKLV DATA SEQUENCE AQLYKIVPNV LLEQGAAANP WPNVDAHSGV LLQYYGMTEM NYYTVLFGVS DATA SEQUENCE RALGVLAQLI WSRALGFPLE RPKSMSTDGL IAL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.581 177.584 -0.005 0.000 1.274 1 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 1 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 2 S N -1.690 114.008 115.700 -0.003 0.000 3.922 2 S HA 0.112 4.560 4.470 -0.037 0.000 0.641 2 S C 0.320 174.914 174.600 -0.010 0.000 1.746 2 S CA 0.590 58.789 58.200 -0.003 0.000 1.907 2 S CB -1.237 61.962 63.200 -0.001 0.000 0.326 2 S HN 2.363 nan 8.310 nan 0.000 1.786 3 S N -0.804 114.888 115.700 -0.014 0.000 2.921 3 S HA 0.791 5.239 4.470 -0.037 0.000 0.315 3 S C -0.567 173.984 174.600 -0.081 0.000 1.087 3 S CA 0.096 58.280 58.200 -0.028 0.000 0.877 3 S CB 1.448 64.649 63.200 0.002 0.000 1.340 3 S HN 0.921 nan 8.310 nan 0.000 0.622 4 T N 2.383 116.851 114.554 -0.144 0.000 2.907 4 T HA 0.389 4.717 4.350 -0.037 0.000 0.298 4 T C -0.396 173.920 174.700 -0.641 0.000 1.017 4 T CA -0.122 61.761 62.100 -0.361 0.000 1.118 4 T CB -0.111 68.464 68.868 -0.489 0.000 0.948 4 T HN 0.580 nan 8.240 nan 0.000 0.531 5 N N 1.805 120.129 118.700 -0.627 0.000 2.905 5 N HA 0.105 4.823 4.740 -0.037 0.000 0.255 5 N C 0.433 175.684 175.510 -0.430 0.000 1.199 5 N CA -0.379 52.285 53.050 -0.643 0.000 0.911 5 N CB 0.597 38.962 38.487 -0.204 0.000 1.550 5 N HN 0.357 nan 8.380 nan 0.000 0.599 6 L N 4.023 124.914 121.223 -0.553 0.000 2.081 6 L HA -0.088 4.230 4.340 -0.037 0.000 0.212 6 L C 2.121 178.862 176.870 -0.216 0.000 1.080 6 L CA 1.977 56.617 54.840 -0.332 0.000 0.754 6 L CB -0.347 41.682 42.059 -0.049 0.000 0.893 6 L HN 0.615 nan 8.230 nan 0.000 0.433 7 K N -1.073 119.215 120.400 -0.187 0.000 2.148 7 K HA -0.164 4.133 4.320 -0.037 0.000 0.204 7 K C 1.603 178.125 176.600 -0.129 0.000 1.050 7 K CA 1.389 57.488 56.287 -0.312 0.000 0.942 7 K CB -0.005 32.172 32.500 -0.538 0.000 0.724 7 K HN 0.372 nan 8.250 nan 0.000 0.446 8 D N -0.072 120.261 120.400 -0.112 0.000 2.183 8 D HA -0.101 4.517 4.640 -0.037 0.000 0.203 8 D C 1.832 178.082 176.300 -0.084 0.000 0.969 8 D CA 0.625 54.583 54.000 -0.070 0.000 0.842 8 D CB 0.083 40.844 40.800 -0.065 0.000 0.957 8 D HN -0.028 nan 8.370 nan 0.000 0.484 9 V N 0.988 120.829 119.914 -0.122 0.000 2.270 9 V HA -0.199 3.899 4.120 -0.037 0.000 0.245 9 V C 2.683 178.677 176.094 -0.167 0.000 1.043 9 V CA 1.064 63.292 62.300 -0.120 0.000 1.014 9 V CB -0.455 31.283 31.823 -0.141 0.000 0.645 9 V HN 0.182 nan 8.190 nan 0.000 0.447 10 L N 0.233 121.304 121.223 -0.253 0.000 2.021 10 L HA -0.261 4.057 4.340 -0.037 0.000 0.215 10 L C 2.703 179.313 176.870 -0.434 0.000 1.074 10 L CA 1.837 56.432 54.840 -0.409 0.000 0.760 10 L CB -0.837 40.860 42.059 -0.604 0.000 0.889 10 L HN 0.398 nan 8.230 nan 0.000 0.433 11 A N -0.374 122.313 122.820 -0.222 0.000 2.032 11 A HA -0.212 4.086 4.320 -0.037 0.000 0.221 11 A C 2.436 179.961 177.584 -0.098 0.000 1.165 11 A CA 1.929 53.917 52.037 -0.083 0.000 0.645 11 A CB -0.592 18.445 19.000 0.062 0.000 0.807 11 A HN 0.478 nan 8.150 nan 0.000 0.453 12 A N -0.931 121.830 122.820 -0.097 0.000 1.903 12 A HA 0.195 4.493 4.320 -0.037 0.000 0.213 12 A C 2.145 179.692 177.584 -0.063 0.000 1.185 12 A CA 1.117 53.117 52.037 -0.061 0.000 0.628 12 A CB -0.433 18.544 19.000 -0.038 0.000 0.830 12 A HN 0.442 nan 8.150 nan 0.000 0.446 13 L N -0.299 120.877 121.223 -0.078 0.000 2.027 13 L HA -0.127 4.191 4.340 -0.037 0.000 0.206 13 L C 2.411 179.289 176.870 0.013 0.000 1.074 13 L CA 1.158 55.994 54.840 -0.007 0.000 0.745 13 L CB -0.344 41.746 42.059 0.051 0.000 0.898 13 L HN 0.405 nan 8.230 nan 0.000 0.433 14 I N 0.085 120.553 120.570 -0.171 0.000 2.091 14 I HA -0.324 3.824 4.170 -0.037 0.000 0.240 14 I C -0.487 175.594 176.117 -0.061 0.000 1.046 14 I CA 1.895 63.070 61.300 -0.208 0.000 1.306 14 I CB -1.748 35.878 38.000 -0.622 0.000 1.018 14 I HN 0.279 nan 8.210 nan 0.000 0.404 15 P HA -0.186 nan 4.420 nan 0.000 0.216 15 P C 1.339 178.641 177.300 0.002 0.000 1.150 15 P CA 1.696 64.785 63.100 -0.019 0.000 0.837 15 P CB -0.142 31.548 31.700 -0.016 0.000 0.786 16 K N -0.349 120.052 120.400 0.002 0.000 2.026 16 K HA -0.189 4.108 4.320 -0.037 0.000 0.208 16 K C 2.236 178.843 176.600 0.012 0.000 1.048 16 K CA 1.474 57.765 56.287 0.006 0.000 0.929 16 K CB -0.355 32.145 32.500 0.000 0.000 0.713 16 K HN 0.026 nan 8.250 nan 0.000 0.439 17 E N 1.270 121.486 120.200 0.026 0.000 2.107 17 E HA -0.134 4.194 4.350 -0.037 0.000 0.191 17 E C 1.944 178.571 176.600 0.046 0.000 0.982 17 E CA 1.233 57.643 56.400 0.016 0.000 0.809 17 E CB 0.051 29.770 29.700 0.031 0.000 0.756 17 E HN 0.207 nan 8.360 nan 0.000 0.459 18 Q N -0.351 119.484 119.800 0.057 0.000 2.077 18 Q HA -0.228 4.090 4.340 -0.037 0.000 0.206 18 Q C 2.147 178.185 176.000 0.063 0.000 0.989 18 Q CA 1.796 57.637 55.803 0.062 0.000 0.853 18 Q CB -0.310 28.451 28.738 0.040 0.000 0.907 18 Q HN 0.365 nan 8.270 nan 0.000 0.418 19 A N 1.409 124.256 122.820 0.046 0.000 1.883 19 A HA -0.277 4.021 4.320 -0.037 0.000 0.217 19 A C 2.023 179.641 177.584 0.057 0.000 1.186 19 A CA 1.911 53.974 52.037 0.044 0.000 0.624 19 A CB -0.707 18.311 19.000 0.029 0.000 0.822 19 A HN 0.380 nan 8.150 nan 0.000 0.444 20 R N -0.058 120.469 120.500 0.046 0.000 2.081 20 R HA -0.072 4.245 4.340 -0.037 0.000 0.235 20 R C 1.850 178.209 176.300 0.099 0.000 1.131 20 R CA 1.933 58.061 56.100 0.046 0.000 0.960 20 R CB -0.479 29.821 30.300 -0.000 0.000 0.856 20 R HN 0.528 nan 8.270 nan 0.000 0.436 21 I N 1.741 122.381 120.570 0.115 0.000 2.439 21 I HA -0.229 3.919 4.170 -0.037 0.000 0.251 21 I C 2.381 178.616 176.117 0.196 0.000 1.139 21 I CA 1.486 62.905 61.300 0.198 0.000 1.438 21 I CB -0.345 37.775 38.000 0.200 0.000 1.085 21 I HN 0.310 nan 8.210 nan 0.000 0.427 22 K N 1.166 121.646 120.400 0.133 0.000 2.025 22 K HA -0.096 4.202 4.320 -0.037 0.000 0.207 22 K C 1.818 178.477 176.600 0.098 0.000 1.049 22 K CA 1.865 58.214 56.287 0.103 0.000 0.933 22 K CB -0.805 31.741 32.500 0.076 0.000 0.714 22 K HN 0.095 nan 8.250 nan 0.000 0.438 23 T N 0.638 115.256 114.554 0.108 0.000 2.881 23 T HA -0.128 4.200 4.350 -0.037 0.000 0.270 23 T C 1.322 176.119 174.700 0.162 0.000 1.068 23 T CA 1.251 63.416 62.100 0.108 0.000 1.131 23 T CB -0.363 68.565 68.868 0.100 0.000 0.871 23 T HN 0.416 nan 8.240 nan 0.000 0.479 24 F N 1.513 121.496 119.950 0.054 0.000 2.293 24 F HA 0.118 4.622 4.527 -0.039 0.000 0.297 24 F C 2.449 178.309 175.800 0.100 0.000 1.089 24 F CA 0.465 58.516 58.000 0.084 0.000 1.377 24 F CB 0.063 39.097 39.000 0.058 0.000 1.051 24 F HN -0.120 nan 8.300 nan 0.000 0.511 25 R N 0.194 120.673 120.500 -0.034 0.000 2.073 25 R HA -0.134 4.184 4.340 -0.037 0.000 0.229 25 R C 2.296 178.511 176.300 -0.141 0.000 1.120 25 R CA 1.484 57.469 56.100 -0.191 0.000 0.967 25 R CB -0.502 29.766 30.300 -0.054 0.000 0.862 25 R HN 0.397 nan 8.270 nan 0.000 0.436 26 Q N 0.227 119.994 119.800 -0.054 0.000 2.181 26 Q HA -0.222 4.096 4.340 -0.037 0.000 0.205 26 Q C 1.960 177.908 176.000 -0.087 0.000 0.980 26 Q CA 1.576 57.351 55.803 -0.046 0.000 0.862 26 Q CB 0.183 28.916 28.738 -0.008 0.000 0.905 26 Q HN 0.333 nan 8.270 nan 0.000 0.429 27 Q N -1.757 117.982 119.800 -0.103 0.000 2.349 27 Q HA -0.040 4.278 4.340 -0.037 0.000 0.209 27 Q C 0.959 176.710 176.000 -0.415 0.000 0.920 27 Q CA 0.378 56.057 55.803 -0.208 0.000 0.901 27 Q CB 0.617 29.277 28.738 -0.130 0.000 1.021 27 Q HN 0.489 nan 8.270 nan 0.000 0.519 28 H N -1.935 116.969 119.070 -0.276 0.000 2.755 28 H HA 0.185 4.719 4.556 -0.037 0.000 0.273 28 H C 1.509 176.630 175.328 -0.345 0.000 1.055 28 H CA 0.566 56.403 56.048 -0.352 0.000 1.191 28 H CB 0.876 30.349 29.762 -0.482 0.000 1.536 28 H HN 0.339 nan 8.280 nan 0.000 0.529 29 G N 0.626 109.294 108.800 -0.221 0.000 2.485 29 G HA2 -0.259 3.679 3.960 -0.037 0.000 0.221 29 G HA3 -0.259 3.679 3.960 -0.037 0.000 0.221 29 G C 1.761 176.602 174.900 -0.099 0.000 1.115 29 G CA 0.986 45.989 45.100 -0.161 0.000 0.751 29 G HN 0.436 nan 8.290 nan 0.000 0.567 30 G N -0.538 108.210 108.800 -0.087 0.000 2.683 30 G HA2 0.157 4.095 3.960 -0.037 0.000 0.213 30 G HA3 0.157 4.095 3.960 -0.037 0.000 0.213 30 G C 0.811 175.691 174.900 -0.032 0.000 1.142 30 G CA 0.532 45.598 45.100 -0.057 0.000 0.793 30 G HN 0.349 nan 8.290 nan 0.000 0.534 31 T N 1.804 116.348 114.554 -0.016 0.000 2.934 31 T HA 0.430 4.758 4.350 -0.037 0.000 0.306 31 T C 0.459 175.166 174.700 0.010 0.000 1.042 31 T CA 0.170 62.288 62.100 0.030 0.000 1.145 31 T CB 1.386 70.331 68.868 0.129 0.000 0.982 31 T HN 0.314 nan 8.240 nan 0.000 0.544 32 A N 3.057 125.886 122.820 0.014 0.000 2.320 32 A HA 0.511 4.809 4.320 -0.037 0.000 0.287 32 A C 0.887 178.476 177.584 0.009 0.000 1.181 32 A CA -0.562 51.479 52.037 0.006 0.000 0.831 32 A CB 0.221 19.223 19.000 0.003 0.000 1.102 32 A HN 0.769 nan 8.150 nan 0.000 0.513 33 L N 2.256 123.481 121.223 0.004 0.000 2.463 33 L HA 0.447 4.765 4.340 -0.037 0.000 0.219 33 L C 1.023 177.892 176.870 -0.002 0.000 1.088 33 L CA 1.562 56.405 54.840 0.004 0.000 0.849 33 L CB 0.038 42.097 42.059 0.001 0.000 1.012 33 L HN 0.989 nan 8.230 nan 0.000 0.468 34 G N -1.691 107.107 108.800 -0.003 0.000 2.356 34 G HA2 0.327 4.265 3.960 -0.037 0.000 0.294 34 G HA3 0.327 4.265 3.960 -0.037 0.000 0.294 34 G C -1.633 173.264 174.900 -0.004 0.000 1.423 34 G CA -0.683 44.414 45.100 -0.005 0.000 0.806 34 G HN -0.088 nan 8.290 nan 0.000 0.527 35 Q N -1.024 118.774 119.800 -0.003 0.000 2.359 35 Q HA 0.721 5.039 4.340 -0.037 0.000 0.275 35 Q C -0.632 175.367 176.000 -0.001 0.000 1.082 35 Q CA -0.865 54.937 55.803 -0.001 0.000 0.849 35 Q CB 2.664 31.403 28.738 0.002 0.000 1.377 35 Q HN 0.491 nan 8.270 nan 0.000 0.452 36 I N 1.257 121.827 120.570 0.000 0.000 2.436 36 I HA 0.362 4.509 4.170 -0.037 0.000 0.289 36 I C 0.062 176.184 176.117 0.008 0.000 1.010 36 I CA -0.639 60.662 61.300 0.001 0.000 1.098 36 I CB 1.725 39.722 38.000 -0.005 0.000 1.266 36 I HN 0.649 nan 8.210 nan 0.000 0.434 37 T N 1.465 116.029 114.554 0.016 0.000 2.919 37 T HA 0.424 4.752 4.350 -0.037 0.000 0.282 37 T C 1.030 175.758 174.700 0.046 0.000 1.020 37 T CA -0.719 61.398 62.100 0.028 0.000 0.994 37 T CB 2.038 70.924 68.868 0.031 0.000 1.180 37 T HN 0.188 nan 8.240 nan 0.000 0.566 38 V N 0.830 120.787 119.914 0.072 0.000 2.307 38 V HA -0.120 3.978 4.120 -0.037 0.000 0.245 38 V C 2.503 178.721 176.094 0.206 0.000 1.045 38 V CA 2.016 64.398 62.300 0.138 0.000 1.024 38 V CB -0.854 31.068 31.823 0.165 0.000 0.651 38 V HN 0.878 nan 8.190 nan 0.000 0.449 39 D N -0.352 120.135 120.400 0.144 0.000 2.182 39 D HA -0.183 4.435 4.640 -0.037 0.000 0.201 39 D C 2.142 178.512 176.300 0.117 0.000 0.986 39 D CA 1.421 55.501 54.000 0.133 0.000 0.847 39 D CB -0.218 40.620 40.800 0.065 0.000 0.942 39 D HN 0.384 nan 8.370 nan 0.000 0.467 40 M N -0.341 119.304 119.600 0.075 0.000 2.175 40 M HA -0.113 4.345 4.480 -0.037 0.000 0.264 40 M C 2.292 178.614 176.300 0.036 0.000 1.063 40 M CA 0.869 56.195 55.300 0.044 0.000 1.119 40 M CB 0.023 32.635 32.600 0.020 0.000 1.377 40 M HN -0.146 nan 8.290 nan 0.000 0.415 41 S N -0.703 115.011 115.700 0.024 0.000 2.368 41 S HA -0.111 4.337 4.470 -0.037 0.000 0.224 41 S C 1.610 176.154 174.600 -0.095 0.000 1.029 41 S CA 1.152 59.312 58.200 -0.066 0.000 0.988 41 S CB -0.289 62.828 63.200 -0.137 0.000 0.838 41 S HN 0.403 nan 8.310 nan 0.000 0.462 42 Y N 1.066 121.366 120.300 -0.000 0.000 2.516 42 Y HA 0.170 4.699 4.550 -0.036 0.000 0.291 42 Y C 2.200 178.098 175.900 -0.003 0.000 1.131 42 Y CA 0.414 58.513 58.100 -0.001 0.000 1.281 42 Y CB -0.252 38.207 38.460 -0.001 0.000 1.013 42 Y HN 0.318 nan 8.280 nan 0.000 0.554 43 G N -1.326 107.564 108.800 0.150 0.000 3.434 43 G HA2 0.359 4.297 3.960 -0.037 0.000 0.258 43 G HA3 0.359 4.297 3.960 -0.037 0.000 0.258 43 G C 1.038 175.961 174.900 0.040 0.000 1.128 43 G CA 0.115 45.265 45.100 0.082 0.000 0.792 43 G HN 0.428 nan 8.290 nan 0.000 0.539 44 G N 0.583 109.400 108.800 0.028 0.000 2.212 44 G HA2 -0.260 3.678 3.960 -0.037 0.000 0.255 44 G HA3 -0.260 3.678 3.960 -0.037 0.000 0.255 44 G C 0.811 175.713 174.900 0.003 0.000 1.062 44 G CA 0.144 45.250 45.100 0.009 0.000 0.815 44 G HN 0.883 nan 8.290 nan 0.000 0.497 45 M N -2.713 116.889 119.600 0.003 0.000 2.762 45 M HA -0.207 4.251 4.480 -0.037 0.000 0.190 45 M C 0.989 177.283 176.300 -0.010 0.000 0.586 45 M CA 1.520 56.818 55.300 -0.004 0.000 0.620 45 M CB -0.761 31.836 32.600 -0.005 0.000 2.269 45 M HN 0.468 nan 8.290 nan 0.000 0.563 46 R N 1.193 121.692 120.500 -0.002 0.000 2.458 46 R HA 0.331 4.649 4.340 -0.037 0.000 0.303 46 R C 1.315 177.611 176.300 -0.005 0.000 1.013 46 R CA 1.796 57.893 56.100 -0.006 0.000 1.026 46 R CB 0.113 30.413 30.300 0.001 0.000 0.948 46 R HN 0.496 nan 8.270 nan 0.000 0.417 47 G N 3.208 112.000 108.800 -0.013 0.000 2.179 47 G HA2 -0.328 3.610 3.960 -0.037 0.000 0.260 47 G HA3 -0.328 3.610 3.960 -0.037 0.000 0.260 47 G C 0.222 175.111 174.900 -0.019 0.000 0.977 47 G CA 0.251 45.343 45.100 -0.013 0.000 0.641 47 G HN 0.548 nan 8.290 nan 0.000 0.533 48 M N 0.828 120.414 119.600 -0.024 0.000 2.162 48 M HA 0.306 4.764 4.480 -0.037 0.000 0.356 48 M C 0.381 176.655 176.300 -0.044 0.000 1.303 48 M CA 0.015 55.298 55.300 -0.028 0.000 1.116 48 M CB 0.518 33.102 32.600 -0.026 0.000 1.632 48 M HN 0.054 nan 8.290 nan 0.000 0.469 49 K N 2.790 123.166 120.400 -0.040 0.000 2.262 49 K HA 0.217 4.515 4.320 -0.037 0.000 0.288 49 K C 0.747 177.314 176.600 -0.056 0.000 1.090 49 K CA -0.151 56.106 56.287 -0.050 0.000 0.918 49 K CB 0.461 32.940 32.500 -0.036 0.000 1.139 49 K HN 0.914 nan 8.250 nan 0.000 0.462 50 G N 3.007 111.757 108.800 -0.083 0.000 3.104 50 G HA2 0.185 4.123 3.960 -0.037 0.000 0.237 50 G HA3 0.185 4.123 3.960 -0.037 0.000 0.237 50 G C -0.227 174.609 174.900 -0.107 0.000 1.035 50 G CA 0.007 45.055 45.100 -0.087 0.000 0.844 50 G HN 0.397 nan 8.290 nan 0.000 0.531 51 L N 0.114 121.261 121.223 -0.126 0.000 2.465 51 L HA 0.565 4.883 4.340 -0.037 0.000 0.257 51 L C -1.125 175.691 176.870 -0.090 0.000 0.988 51 L CA -0.806 53.953 54.840 -0.136 0.000 0.827 51 L CB 3.089 45.002 42.059 -0.243 0.000 1.397 51 L HN -0.185 nan 8.230 nan 0.000 0.410 52 V N 2.246 122.109 119.914 -0.084 0.000 2.394 52 V HA 0.422 4.519 4.120 -0.037 0.000 0.282 52 V C -1.456 174.755 176.094 0.195 0.000 1.031 52 V CA -0.369 61.937 62.300 0.009 0.000 0.881 52 V CB 1.436 33.242 31.823 -0.028 0.000 0.982 52 V HN 0.569 nan 8.190 nan 0.000 0.451 53 Y N 3.215 123.537 120.300 0.036 0.000 2.307 53 Y HA 0.381 4.905 4.550 -0.043 0.000 0.323 53 Y C 0.731 176.657 175.900 0.043 0.000 1.100 53 Y CA -0.488 57.650 58.100 0.064 0.000 1.140 53 Y CB 1.965 40.394 38.460 -0.051 0.000 1.159 53 Y HN 0.706 nan 8.280 nan 0.000 0.436 54 E N 1.020 121.152 120.200 -0.112 0.000 2.158 54 E HA -0.090 4.238 4.350 -0.037 0.000 0.191 54 E C 1.787 178.324 176.600 -0.106 0.000 0.982 54 E CA 1.768 58.084 56.400 -0.140 0.000 0.823 54 E CB 0.375 29.922 29.700 -0.256 0.000 0.766 54 E HN 0.863 nan 8.360 nan 0.000 0.468 55 T N -1.588 112.891 114.554 -0.125 0.000 2.867 55 T HA -0.048 4.280 4.350 -0.037 0.000 0.268 55 T C 0.983 175.792 174.700 0.183 0.000 1.057 55 T CA 0.667 62.775 62.100 0.013 0.000 1.136 55 T CB -0.055 68.828 68.868 0.026 0.000 0.874 55 T HN 0.108 nan 8.240 nan 0.000 0.466 56 S N -0.719 115.139 115.700 0.264 0.000 2.550 56 S HA 0.677 5.124 4.470 -0.037 0.000 0.270 56 S C -1.490 173.168 174.600 0.096 0.000 1.145 56 S CA -0.943 57.379 58.200 0.203 0.000 0.852 56 S CB 2.223 65.615 63.200 0.321 0.000 1.119 56 S HN 0.144 nan 8.310 nan 0.000 0.465 57 V N 1.993 121.880 119.914 -0.045 0.000 2.709 57 V HA 0.630 4.728 4.120 -0.037 0.000 0.308 57 V C -1.128 174.858 176.094 -0.180 0.000 1.062 57 V CA -0.702 61.544 62.300 -0.090 0.000 0.901 57 V CB 1.647 33.423 31.823 -0.079 0.000 1.003 57 V HN 0.939 nan 8.190 nan 0.000 0.425 58 L N 4.179 125.276 121.223 -0.210 0.000 2.282 58 L HA 0.573 4.891 4.340 -0.037 0.000 0.288 58 L C -0.225 176.530 176.870 -0.192 0.000 1.033 58 L CA 0.286 54.958 54.840 -0.280 0.000 0.807 58 L CB 1.352 43.164 42.059 -0.412 0.000 1.209 58 L HN 0.749 nan 8.230 nan 0.000 0.423 59 D N 6.352 126.648 120.400 -0.174 0.000 2.274 59 D HA 0.246 4.864 4.640 -0.037 0.000 0.239 59 D C -1.945 174.286 176.300 -0.114 0.000 1.104 59 D CA -1.740 52.185 54.000 -0.125 0.000 0.840 59 D CB 2.380 43.112 40.800 -0.114 0.000 1.100 59 D HN 0.392 nan 8.370 nan 0.000 0.477 60 P HA -0.172 nan 4.420 nan 0.000 0.218 60 P C 0.454 177.723 177.300 -0.050 0.000 1.152 60 P CA 1.321 64.390 63.100 -0.051 0.000 0.857 60 P CB 0.396 32.080 31.700 -0.027 0.000 0.787 61 D N -1.644 118.720 120.400 -0.059 0.000 2.369 61 D HA -0.026 4.592 4.640 -0.037 0.000 0.231 61 D C 1.684 177.935 176.300 -0.082 0.000 0.967 61 D CA 0.761 54.724 54.000 -0.062 0.000 0.905 61 D CB -0.218 40.552 40.800 -0.051 0.000 1.044 61 D HN 0.112 nan 8.370 nan 0.000 0.487 62 E N 0.345 120.494 120.200 -0.085 0.000 2.385 62 E HA 0.232 4.559 4.350 -0.037 0.000 0.194 62 E C 0.799 177.338 176.600 -0.102 0.000 1.013 62 E CA 0.373 56.720 56.400 -0.088 0.000 0.866 62 E CB 0.512 30.161 29.700 -0.086 0.000 0.832 62 E HN 0.342 nan 8.360 nan 0.000 0.500 63 G N 0.115 108.843 108.800 -0.120 0.000 2.660 63 G HA2 -0.268 3.670 3.960 -0.037 0.000 0.247 63 G HA3 -0.268 3.670 3.960 -0.037 0.000 0.247 63 G C -0.459 174.332 174.900 -0.181 0.000 1.328 63 G CA -0.481 44.539 45.100 -0.134 0.000 0.884 63 G HN 0.174 nan 8.290 nan 0.000 0.531 64 I N 0.862 121.311 120.570 -0.201 0.000 2.836 64 I HA 0.553 4.701 4.170 -0.037 0.000 0.285 64 I C 0.867 176.730 176.117 -0.423 0.000 1.174 64 I CA 0.022 61.114 61.300 -0.347 0.000 1.405 64 I CB 0.418 38.224 38.000 -0.324 0.000 1.385 64 I HN 0.571 nan 8.210 nan 0.000 0.594 65 R N 6.130 126.358 120.500 -0.454 0.000 2.514 65 R HA 0.296 4.614 4.340 -0.037 0.000 0.296 65 R C -0.278 175.835 176.300 -0.311 0.000 1.012 65 R CA -0.541 55.353 56.100 -0.344 0.000 0.897 65 R CB 1.060 31.260 30.300 -0.166 0.000 1.184 65 R HN 0.461 nan 8.270 nan 0.000 0.440 66 F N 1.540 121.569 119.950 0.133 0.000 1.990 66 F HA 0.030 4.533 4.527 -0.040 0.000 0.293 66 F C 2.561 178.476 175.800 0.191 0.000 1.244 66 F CA 0.835 58.933 58.000 0.164 0.000 1.153 66 F CB -0.553 38.549 39.000 0.170 0.000 0.975 66 F HN 0.423 nan 8.300 nan 0.000 0.492 67 R N -0.129 120.692 120.500 0.536 0.000 2.127 67 R HA 0.042 4.360 4.340 -0.037 0.000 0.219 67 R C 1.771 178.075 176.300 0.006 0.000 1.133 67 R CA 1.732 57.964 56.100 0.220 0.000 0.890 67 R CB -1.173 29.163 30.300 0.059 0.000 0.804 67 R HN 0.493 nan 8.270 nan 0.000 0.443 68 G N -1.237 107.448 108.800 -0.192 0.000 3.519 68 G HA2 0.185 4.123 3.960 -0.037 0.000 0.269 68 G HA3 0.185 4.123 3.960 -0.037 0.000 0.269 68 G C -0.642 174.046 174.900 -0.353 0.000 1.028 68 G CA -0.487 44.436 45.100 -0.295 0.000 0.809 68 G HN 0.089 nan 8.290 nan 0.000 0.521 69 F N 2.788 122.761 119.950 0.038 0.000 2.445 69 F HA 0.399 4.904 4.527 -0.038 0.000 0.359 69 F C 1.252 177.084 175.800 0.054 0.000 1.101 69 F CA -1.010 57.031 58.000 0.069 0.000 1.177 69 F CB 1.070 40.140 39.000 0.117 0.000 1.110 69 F HN 0.029 nan 8.300 nan 0.000 0.522 70 S N 3.417 119.235 115.700 0.197 0.000 2.614 70 S HA 0.326 4.774 4.470 -0.037 0.000 0.265 70 S C 1.357 176.062 174.600 0.176 0.000 1.303 70 S CA -0.876 57.381 58.200 0.095 0.000 1.000 70 S CB 0.852 64.073 63.200 0.035 0.000 0.935 70 S HN 0.614 nan 8.310 nan 0.000 0.551 71 I N 1.294 121.938 120.570 0.123 0.000 2.113 71 I HA -0.135 4.013 4.170 -0.037 0.000 0.242 71 I C -0.677 175.509 176.117 0.116 0.000 1.064 71 I CA 1.551 62.947 61.300 0.161 0.000 1.320 71 I CB -1.973 36.088 38.000 0.101 0.000 1.028 71 I HN 0.516 nan 8.210 nan 0.000 0.406 72 P HA -0.154 nan 4.420 nan 0.000 0.217 72 P C 1.335 178.681 177.300 0.077 0.000 1.150 72 P CA 1.465 64.601 63.100 0.061 0.000 0.832 72 P CB -0.082 31.641 31.700 0.038 0.000 0.787 73 E N -1.024 119.244 120.200 0.112 0.000 2.077 73 E HA -0.170 4.158 4.350 -0.037 0.000 0.193 73 E C 2.082 178.742 176.600 0.100 0.000 0.989 73 E CA 1.228 57.716 56.400 0.146 0.000 0.800 73 E CB -0.869 28.993 29.700 0.269 0.000 0.746 73 E HN 0.218 nan 8.360 nan 0.000 0.452 74 C N 1.041 120.413 119.300 0.120 0.000 2.432 74 C HA -0.118 4.320 4.460 -0.037 0.000 0.277 74 C C 2.704 177.708 174.990 0.024 0.000 1.249 74 C CA 0.458 59.508 59.018 0.053 0.000 1.725 74 C CB -0.678 27.141 27.740 0.131 0.000 2.028 74 C HN 0.456 nan 8.230 nan 0.000 0.477 75 Q N 1.306 121.137 119.800 0.052 0.000 2.112 75 Q HA -0.209 4.109 4.340 -0.037 0.000 0.206 75 Q C 2.206 178.219 176.000 0.021 0.000 0.987 75 Q CA 1.926 57.752 55.803 0.038 0.000 0.858 75 Q CB -0.196 28.570 28.738 0.046 0.000 0.905 75 Q HN 0.787 nan 8.270 nan 0.000 0.420 76 K N -0.843 119.569 120.400 0.021 0.000 2.186 76 K HA 0.028 4.326 4.320 -0.037 0.000 0.202 76 K C 2.237 178.830 176.600 -0.011 0.000 1.052 76 K CA 0.631 56.924 56.287 0.010 0.000 0.965 76 K CB -0.096 32.415 32.500 0.018 0.000 0.746 76 K HN 0.105 nan 8.250 nan 0.000 0.457 77 L N 1.236 122.438 121.223 -0.035 0.000 2.249 77 L HA 0.136 4.454 4.340 -0.037 0.000 0.207 77 L C 0.921 177.732 176.870 -0.099 0.000 1.090 77 L CA 0.037 54.828 54.840 -0.081 0.000 0.802 77 L CB -0.079 41.882 42.059 -0.163 0.000 0.947 77 L HN 0.092 nan 8.230 nan 0.000 0.453 78 L N 0.972 122.144 121.223 -0.086 0.000 2.397 78 L HA 0.225 4.543 4.340 -0.037 0.000 0.271 78 L C -2.029 174.811 176.870 -0.049 0.000 1.148 78 L CA -1.987 52.807 54.840 -0.076 0.000 0.825 78 L CB 0.164 42.192 42.059 -0.052 0.000 1.117 78 L HN -0.221 nan 8.230 nan 0.000 0.456 79 P HA 0.115 nan 4.420 nan 0.000 0.268 79 P C -0.936 176.356 177.300 -0.013 0.000 1.208 79 P CA -0.098 62.979 63.100 -0.040 0.000 0.777 79 P CB 0.678 32.345 31.700 -0.056 0.000 0.875 80 K N 0.391 120.788 120.400 -0.005 0.000 2.295 80 K HA 0.526 4.824 4.320 -0.037 0.000 0.239 80 K C 1.660 178.270 176.600 0.018 0.000 0.991 80 K CA -0.426 55.868 56.287 0.011 0.000 0.845 80 K CB 0.230 32.737 32.500 0.012 0.000 1.197 80 K HN 0.386 nan 8.250 nan 0.000 0.441 81 G N -0.274 108.543 108.800 0.029 0.000 2.450 81 G HA2 0.142 4.080 3.960 -0.037 0.000 0.220 81 G HA3 0.142 4.080 3.960 -0.037 0.000 0.220 81 G C 0.450 175.367 174.900 0.029 0.000 1.130 81 G CA 1.096 46.218 45.100 0.037 0.000 0.760 81 G HN 0.687 nan 8.290 nan 0.000 0.557 85 G N -0.155 108.663 108.800 0.030 0.000 2.759 85 G HA2 0.379 4.316 3.960 -0.037 0.000 0.208 85 G HA3 0.379 4.316 3.960 -0.037 0.000 0.208 85 G C 0.238 175.166 174.900 0.047 0.000 1.076 85 G CA 0.102 45.224 45.100 0.038 0.000 0.789 85 G HN 0.309 nan 8.290 nan 0.000 0.546 86 E N 1.507 121.737 120.200 0.050 0.000 2.231 86 E HA 0.386 4.714 4.350 -0.037 0.000 0.277 86 E C -2.292 174.331 176.600 0.037 0.000 0.999 86 E CA -2.252 54.179 56.400 0.053 0.000 0.827 86 E CB 2.123 31.863 29.700 0.067 0.000 1.101 86 E HN 0.029 nan 8.360 nan 0.000 0.393 87 P HA -0.028 nan 4.420 nan 0.000 0.268 87 P C -0.519 176.811 177.300 0.051 0.000 1.204 87 P CA 0.201 63.320 63.100 0.031 0.000 0.768 87 P CB 0.508 32.221 31.700 0.023 0.000 0.842 88 L N 6.042 127.298 121.223 0.056 0.000 2.418 88 L HA 0.072 4.390 4.340 -0.037 0.000 0.274 88 L C -0.985 175.959 176.870 0.124 0.000 1.135 88 L CA -1.568 53.330 54.840 0.097 0.000 0.870 88 L CB 0.572 42.672 42.059 0.069 0.000 1.154 88 L HN 0.230 nan 8.230 nan 0.000 0.462 89 P HA -0.169 nan 4.420 nan 0.000 0.218 89 P C 1.074 178.502 177.300 0.212 0.000 1.148 89 P CA 1.028 64.269 63.100 0.235 0.000 0.822 89 P CB 0.378 32.336 31.700 0.430 0.000 0.784 90 E N -0.286 120.015 120.200 0.168 0.000 2.086 90 E HA -0.197 4.131 4.350 -0.037 0.000 0.205 90 E C 2.335 178.995 176.600 0.101 0.000 1.027 90 E CA 1.994 58.385 56.400 -0.015 0.000 0.830 90 E CB -1.467 28.143 29.700 -0.150 0.000 0.751 90 E HN 0.273 nan 8.360 nan 0.000 0.456 91 G N 0.325 109.171 108.800 0.076 0.000 2.422 91 G HA2 -0.229 3.708 3.960 -0.037 0.000 0.218 91 G HA3 -0.229 3.708 3.960 -0.037 0.000 0.218 91 G C 1.489 176.453 174.900 0.107 0.000 1.140 91 G CA 0.649 45.792 45.100 0.071 0.000 0.775 91 G HN 0.163 nan 8.290 nan 0.000 0.545 92 L N -0.097 121.178 121.223 0.087 0.000 2.012 92 L HA 0.002 4.320 4.340 -0.037 0.000 0.210 92 L C 2.425 179.355 176.870 0.100 0.000 1.073 92 L CA 1.733 56.592 54.840 0.031 0.000 0.748 92 L CB -0.712 41.329 42.059 -0.030 0.000 0.891 92 L HN 0.230 nan 8.230 nan 0.000 0.431 93 F N -1.008 118.986 119.950 0.073 0.000 2.095 93 F HA -0.290 4.212 4.527 -0.041 0.000 0.298 93 F C 2.309 178.196 175.800 0.145 0.000 1.104 93 F CA 2.050 60.121 58.000 0.118 0.000 1.232 93 F CB -0.751 38.374 39.000 0.207 0.000 0.987 93 F HN 0.334 nan 8.300 nan 0.000 0.475 94 W N 0.845 122.120 121.300 -0.042 0.000 2.358 94 W HA -0.244 4.395 4.660 -0.035 0.000 0.303 94 W C 2.170 178.618 176.519 -0.120 0.000 1.208 94 W CA 1.776 59.064 57.345 -0.095 0.000 1.274 94 W CB -0.822 28.634 29.460 -0.007 0.000 1.138 94 W HN 0.228 nan 8.180 nan 0.000 0.515 95 L N 1.309 122.645 121.223 0.188 0.000 1.994 95 L HA -0.215 4.102 4.340 -0.037 0.000 0.208 95 L C 2.535 179.419 176.870 0.023 0.000 1.071 95 L CA 2.071 56.980 54.840 0.115 0.000 0.745 95 L CB -1.261 40.832 42.059 0.057 0.000 0.892 95 L HN -0.066 nan 8.230 nan 0.000 0.431 96 L N -1.433 119.770 121.223 -0.033 0.000 2.081 96 L HA -0.234 4.084 4.340 -0.037 0.000 0.212 96 L C 2.420 179.233 176.870 -0.094 0.000 1.080 96 L CA 1.209 56.025 54.840 -0.040 0.000 0.754 96 L CB -0.707 41.328 42.059 -0.040 0.000 0.893 96 L HN 0.202 nan 8.230 nan 0.000 0.433 97 V N -0.613 119.163 119.914 -0.230 0.000 2.446 97 V HA -0.175 3.923 4.120 -0.037 0.000 0.244 97 V C 2.611 178.737 176.094 0.053 0.000 1.039 97 V CA 2.125 64.342 62.300 -0.137 0.000 1.045 97 V CB -0.162 31.373 31.823 -0.480 0.000 0.681 97 V HN 0.651 nan 8.190 nan 0.000 0.459 98 T N -3.194 111.258 114.554 -0.170 0.000 3.044 98 T HA 0.251 4.579 4.350 -0.037 0.000 0.255 98 T C 1.638 176.324 174.700 -0.024 0.000 1.073 98 T CA 1.306 63.335 62.100 -0.119 0.000 1.125 98 T CB 0.713 69.407 68.868 -0.291 0.000 0.908 98 T HN 0.931 nan 8.240 nan 0.000 0.480 99 G N 1.150 109.950 108.800 0.001 0.000 2.199 99 G HA2 -0.211 3.727 3.960 -0.037 0.000 0.254 99 G HA3 -0.211 3.727 3.960 -0.037 0.000 0.254 99 G C -0.153 174.830 174.900 0.139 0.000 0.982 99 G CA 0.256 45.380 45.100 0.040 0.000 0.632 99 G HN 0.811 nan 8.290 nan 0.000 0.529 100 Q N -0.190 119.707 119.800 0.161 0.000 2.399 100 Q HA 0.741 5.059 4.340 -0.037 0.000 0.276 100 Q C 0.003 176.111 176.000 0.180 0.000 1.098 100 Q CA -1.179 54.740 55.803 0.194 0.000 0.827 100 Q CB 2.017 30.872 28.738 0.195 0.000 1.386 100 Q HN 0.300 nan 8.270 nan 0.000 0.443 101 I N 3.403 124.001 120.570 0.046 0.000 2.471 101 I HA 0.203 4.351 4.170 -0.037 0.000 0.286 101 I C -1.872 174.191 176.117 -0.090 0.000 1.079 101 I CA -1.711 59.543 61.300 -0.077 0.000 1.398 101 I CB 0.306 38.194 38.000 -0.187 0.000 1.403 101 I HN 0.375 nan 8.210 nan 0.000 0.530 102 P HA 0.186 nan 4.420 nan 0.000 0.276 102 P C -0.386 176.708 177.300 -0.344 0.000 1.261 102 P CA -0.316 62.495 63.100 -0.482 0.000 0.800 102 P CB 0.777 32.085 31.700 -0.654 0.000 1.066 103 T N -3.799 110.518 114.554 -0.394 0.000 2.934 103 T HA 0.388 4.716 4.350 -0.037 0.000 0.283 103 T C 1.679 176.240 174.700 -0.231 0.000 1.005 103 T CA -0.045 61.906 62.100 -0.249 0.000 1.041 103 T CB 0.690 69.427 68.868 -0.217 0.000 1.042 103 T HN 0.447 nan 8.240 nan 0.000 0.505 104 G N 0.609 109.320 108.800 -0.148 0.000 2.505 104 G HA2 -0.156 3.782 3.960 -0.037 0.000 0.220 104 G HA3 -0.156 3.782 3.960 -0.037 0.000 0.220 104 G C 1.720 176.547 174.900 -0.122 0.000 1.145 104 G CA 0.950 45.982 45.100 -0.114 0.000 0.761 104 G HN 1.152 nan 8.290 nan 0.000 0.571 105 A N 0.170 122.912 122.820 -0.131 0.000 1.933 105 A HA -0.070 4.228 4.320 -0.037 0.000 0.218 105 A C 2.444 179.941 177.584 -0.145 0.000 1.175 105 A CA 1.998 53.970 52.037 -0.107 0.000 0.628 105 A CB -0.303 18.640 19.000 -0.095 0.000 0.814 105 A HN 0.386 nan 8.150 nan 0.000 0.444 106 Q N -0.084 119.525 119.800 -0.318 0.000 2.050 106 Q HA -0.119 4.199 4.340 -0.037 0.000 0.202 106 Q C 2.271 178.118 176.000 -0.254 0.000 0.980 106 Q CA 1.682 57.156 55.803 -0.548 0.000 0.840 106 Q CB -1.198 26.696 28.738 -1.406 0.000 0.898 106 Q HN 0.457 nan 8.270 nan 0.000 0.424 107 V N 1.282 121.058 119.914 -0.230 0.000 2.343 107 V HA -0.211 3.887 4.120 -0.037 0.000 0.247 107 V C 2.437 178.496 176.094 -0.057 0.000 1.051 107 V CA 1.830 64.060 62.300 -0.117 0.000 1.036 107 V CB -0.649 31.109 31.823 -0.109 0.000 0.654 107 V HN 0.295 nan 8.190 nan 0.000 0.451 108 S N -1.490 114.190 115.700 -0.035 0.000 2.383 108 S HA -0.270 4.178 4.470 -0.037 0.000 0.229 108 S C 1.487 176.094 174.600 0.013 0.000 1.030 108 S CA 1.883 60.076 58.200 -0.011 0.000 1.002 108 S CB -0.457 62.745 63.200 0.003 0.000 0.829 108 S HN 0.776 nan 8.310 nan 0.000 0.467 109 W N 2.624 123.858 121.300 -0.110 0.000 2.333 109 W HA -0.202 4.435 4.660 -0.038 0.000 0.316 109 W C 1.642 178.080 176.519 -0.134 0.000 1.215 109 W CA 1.524 58.824 57.345 -0.075 0.000 1.278 109 W CB -0.564 28.884 29.460 -0.019 0.000 1.154 109 W HN 0.229 nan 8.180 nan 0.000 0.486 110 L N 0.133 121.338 121.223 -0.030 0.000 2.013 110 L HA -0.318 3.999 4.340 -0.037 0.000 0.212 110 L C 2.553 178.899 176.870 -0.873 0.000 1.073 110 L CA 1.801 56.231 54.840 -0.683 0.000 0.753 110 L CB -1.708 39.877 42.059 -0.789 0.000 0.890 110 L HN -0.091 nan 8.230 nan 0.000 0.432 111 S N 0.524 115.941 115.700 -0.472 0.000 2.359 111 S HA -0.216 4.232 4.470 -0.037 0.000 0.222 111 S C 1.897 176.370 174.600 -0.211 0.000 1.038 111 S CA 1.955 60.002 58.200 -0.254 0.000 1.051 111 S CB -0.321 62.828 63.200 -0.085 0.000 0.944 111 S HN 0.466 nan 8.310 nan 0.000 0.433 112 K N 1.136 121.398 120.400 -0.230 0.000 2.103 112 K HA -0.150 4.148 4.320 -0.037 0.000 0.207 112 K C 2.106 178.554 176.600 -0.253 0.000 1.048 112 K CA 1.465 57.634 56.287 -0.197 0.000 0.930 112 K CB -0.217 32.193 32.500 -0.151 0.000 0.716 112 K HN 0.173 nan 8.250 nan 0.000 0.444 113 E N 0.524 120.422 120.200 -0.503 0.000 2.077 113 E HA -0.169 4.158 4.350 -0.037 0.000 0.193 113 E C 1.452 177.974 176.600 -0.130 0.000 0.989 113 E CA 1.258 57.355 56.400 -0.506 0.000 0.800 113 E CB -0.121 28.918 29.700 -1.102 0.000 0.746 113 E HN 0.381 nan 8.360 nan 0.000 0.452 114 W N -0.024 121.091 121.300 -0.308 0.000 2.584 114 W HA 0.260 4.901 4.660 -0.031 0.000 0.264 114 W C 2.125 178.591 176.519 -0.088 0.000 1.264 114 W CA 0.699 57.912 57.345 -0.220 0.000 1.306 114 W CB -0.875 28.410 29.460 -0.292 0.000 1.110 114 W HN 0.198 nan 8.180 nan 0.000 0.606 115 A N 0.338 123.230 122.820 0.120 0.000 1.898 115 A HA -0.125 4.173 4.320 -0.037 0.000 0.214 115 A C 1.992 179.598 177.584 0.037 0.000 1.183 115 A CA 1.300 53.388 52.037 0.086 0.000 0.622 115 A CB -0.421 18.606 19.000 0.045 0.000 0.824 115 A HN 0.213 nan 8.150 nan 0.000 0.444 116 K N -0.304 120.094 120.400 -0.004 0.000 2.097 116 K HA -0.096 4.202 4.320 -0.037 0.000 0.206 116 K C 1.860 178.464 176.600 0.006 0.000 1.049 116 K CA 1.467 57.748 56.287 -0.009 0.000 0.933 116 K CB -0.143 32.338 32.500 -0.031 0.000 0.717 116 K HN 0.319 nan 8.250 nan 0.000 0.442 117 R N 0.374 120.881 120.500 0.011 0.000 2.310 117 R HA 0.139 4.457 4.340 -0.037 0.000 0.202 117 R C 0.343 176.647 176.300 0.005 0.000 0.933 117 R CA 0.039 56.143 56.100 0.007 0.000 1.054 117 R CB 0.413 30.710 30.300 -0.006 0.000 0.985 117 R HN 0.034 nan 8.270 nan 0.000 0.489 118 A N 1.485 124.314 122.820 0.015 0.000 3.063 118 A HA 0.509 4.806 4.320 -0.037 0.000 0.263 118 A C -0.162 177.425 177.584 0.006 0.000 1.736 118 A CA -0.023 52.020 52.037 0.010 0.000 1.408 118 A CB -0.247 18.770 19.000 0.028 0.000 1.108 118 A HN 0.237 nan 8.150 nan 0.000 0.621 119 A N 1.417 124.239 122.820 0.004 0.000 2.449 119 A HA 0.727 5.025 4.320 -0.037 0.000 0.302 119 A C -0.776 176.806 177.584 -0.004 0.000 1.048 119 A CA -0.454 51.585 52.037 0.003 0.000 0.708 119 A CB 1.083 20.086 19.000 0.006 0.000 1.274 119 A HN 0.506 nan 8.150 nan 0.000 0.410 120 L N 2.733 123.948 121.223 -0.013 0.000 2.317 120 L HA 0.498 4.816 4.340 -0.037 0.000 0.281 120 L C -2.029 174.816 176.870 -0.040 0.000 1.024 120 L CA -1.905 52.916 54.840 -0.033 0.000 0.810 120 L CB 1.956 43.992 42.059 -0.039 0.000 1.240 120 L HN 0.538 nan 8.230 nan 0.000 0.427 121 P HA 0.150 nan 4.420 nan 0.000 0.277 121 P C 0.411 177.666 177.300 -0.074 0.000 1.240 121 P CA -0.409 62.668 63.100 -0.038 0.000 0.798 121 P CB 1.189 32.891 31.700 0.003 0.000 0.979 122 S N 0.607 116.305 115.700 -0.003 0.000 2.400 122 S HA -0.225 4.223 4.470 -0.037 0.000 0.232 122 S C 1.665 176.257 174.600 -0.015 0.000 1.025 122 S CA 1.814 60.010 58.200 -0.007 0.000 0.993 122 S CB -0.938 62.278 63.200 0.026 0.000 0.808 122 S HN 0.754 nan 8.310 nan 0.000 0.478 123 H N -0.860 118.181 119.070 -0.047 0.000 2.462 123 H HA 0.156 4.689 4.556 -0.039 0.000 0.292 123 H C 1.781 177.066 175.328 -0.072 0.000 1.049 123 H CA 1.213 57.226 56.048 -0.058 0.000 1.334 123 H CB -0.419 29.311 29.762 -0.054 0.000 1.404 123 H HN 0.247 nan 8.280 nan 0.000 0.544 124 V N 0.903 120.422 119.914 -0.659 0.000 2.307 124 V HA -0.231 3.866 4.120 -0.037 0.000 0.245 124 V C 2.557 178.522 176.094 -0.215 0.000 1.045 124 V CA 1.477 63.526 62.300 -0.417 0.000 1.024 124 V CB -0.506 31.076 31.823 -0.402 0.000 0.651 124 V HN 0.393 nan 8.190 nan 0.000 0.449 125 V N 0.034 119.852 119.914 -0.161 0.000 2.392 125 V HA -0.301 3.797 4.120 -0.037 0.000 0.249 125 V C 2.579 178.607 176.094 -0.109 0.000 1.059 125 V CA 2.652 64.892 62.300 -0.100 0.000 1.051 125 V CB -1.059 30.723 31.823 -0.067 0.000 0.658 125 V HN 0.618 nan 8.190 nan 0.000 0.455 126 T N -0.023 114.462 114.554 -0.114 0.000 2.674 126 T HA -0.265 4.063 4.350 -0.037 0.000 0.265 126 T C 1.866 176.453 174.700 -0.187 0.000 1.039 126 T CA 2.217 64.250 62.100 -0.111 0.000 1.150 126 T CB -0.305 68.522 68.868 -0.068 0.000 0.864 126 T HN 0.511 nan 8.240 nan 0.000 0.427 127 M N 0.509 119.953 119.600 -0.260 0.000 2.117 127 M HA -0.056 4.402 4.480 -0.037 0.000 0.262 127 M C 2.051 177.886 176.300 -0.775 0.000 1.065 127 M CA 1.654 56.657 55.300 -0.496 0.000 1.114 127 M CB -0.388 31.956 32.600 -0.427 0.000 1.361 127 M HN 0.219 nan 8.290 nan 0.000 0.408 128 L N 0.540 121.495 121.223 -0.447 0.000 2.017 128 L HA -0.248 4.070 4.340 -0.037 0.000 0.208 128 L C 2.081 178.903 176.870 -0.079 0.000 1.073 128 L CA 1.434 56.167 54.840 -0.178 0.000 0.745 128 L CB -0.906 41.148 42.059 -0.008 0.000 0.894 128 L HN 0.303 nan 8.230 nan 0.000 0.432 129 D N -0.083 120.257 120.400 -0.100 0.000 2.182 129 D HA -0.173 4.445 4.640 -0.037 0.000 0.201 129 D C 1.675 177.941 176.300 -0.056 0.000 0.986 129 D CA 1.269 55.233 54.000 -0.060 0.000 0.847 129 D CB -0.340 40.427 40.800 -0.055 0.000 0.942 129 D HN 0.387 nan 8.370 nan 0.000 0.467 130 N N -0.985 117.646 118.700 -0.114 0.000 2.412 130 N HA 0.013 4.731 4.740 -0.037 0.000 0.184 130 N C -0.051 175.483 175.510 0.040 0.000 1.101 130 N CA -0.214 52.798 53.050 -0.063 0.000 0.881 130 N CB 0.177 38.610 38.487 -0.090 0.000 0.969 130 N HN -0.035 nan 8.380 nan 0.000 0.459 131 F N 1.943 121.885 119.950 -0.012 0.000 2.553 131 F HA 0.158 4.662 4.527 -0.038 0.000 0.356 131 F C -1.437 174.350 175.800 -0.020 0.000 1.142 131 F CA -2.788 55.206 58.000 -0.010 0.000 1.322 131 F CB -0.163 38.832 39.000 -0.008 0.000 1.126 131 F HN -0.016 nan 8.300 nan 0.000 0.599 132 P HA 0.137 nan 4.420 nan 0.000 0.274 132 P C 0.519 177.830 177.300 0.019 0.000 1.237 132 P CA -0.197 62.946 63.100 0.071 0.000 0.793 132 P CB 0.320 32.048 31.700 0.047 0.000 0.977 133 T N -2.963 111.583 114.554 -0.013 0.000 3.160 133 T HA -0.072 4.256 4.350 -0.037 0.000 0.257 133 T C 0.898 175.571 174.700 -0.045 0.000 1.147 133 T CA 0.398 62.466 62.100 -0.054 0.000 1.064 133 T CB -0.940 67.888 68.868 -0.066 0.000 0.949 133 T HN 0.417 nan 8.240 nan 0.000 0.526 134 N N 0.673 119.358 118.700 -0.024 0.000 2.322 134 N HA 0.115 4.832 4.740 -0.037 0.000 0.194 134 N C 0.086 175.584 175.510 -0.020 0.000 1.126 134 N CA -0.348 52.694 53.050 -0.013 0.000 0.845 134 N CB -0.342 38.147 38.487 0.003 0.000 0.976 134 N HN 0.341 nan 8.380 nan 0.000 0.475 135 L N 2.027 123.214 121.223 -0.059 0.000 2.313 135 L HA 0.229 4.546 4.340 -0.037 0.000 0.282 135 L C 0.066 176.893 176.870 -0.070 0.000 1.092 135 L CA -0.743 54.037 54.840 -0.101 0.000 0.831 135 L CB -0.048 41.846 42.059 -0.276 0.000 1.159 135 L HN 0.247 nan 8.230 nan 0.000 0.442 136 H N 6.801 125.818 119.070 -0.089 0.000 2.972 136 H HA 0.061 4.597 4.556 -0.034 0.000 0.343 136 H C -1.665 173.636 175.328 -0.044 0.000 1.054 136 H CA -0.237 55.786 56.048 -0.040 0.000 1.412 136 H CB 0.922 30.668 29.762 -0.026 0.000 1.385 136 H HN 0.553 nan 8.280 nan 0.000 0.600 137 P HA -0.248 nan 4.420 nan 0.000 0.216 137 P C 1.421 178.802 177.300 0.136 0.000 1.150 137 P CA 1.352 64.460 63.100 0.013 0.000 0.843 137 P CB 0.174 31.916 31.700 0.069 0.000 0.787 138 M N -1.069 118.747 119.600 0.360 0.000 2.175 138 M HA -0.064 4.394 4.480 -0.037 0.000 0.264 138 M C 2.073 178.414 176.300 0.069 0.000 1.063 138 M CA 1.624 57.032 55.300 0.179 0.000 1.119 138 M CB -1.709 30.969 32.600 0.129 0.000 1.377 138 M HN -0.093 nan 8.290 nan 0.000 0.415 139 S N 0.302 116.037 115.700 0.059 0.000 2.368 139 S HA -0.129 4.319 4.470 -0.037 0.000 0.224 139 S C 1.856 176.393 174.600 -0.104 0.000 1.029 139 S CA 0.972 59.145 58.200 -0.045 0.000 0.988 139 S CB -0.173 62.976 63.200 -0.086 0.000 0.838 139 S HN 0.521 nan 8.310 nan 0.000 0.462 140 Q N 0.318 120.036 119.800 -0.137 0.000 2.084 140 Q HA -0.107 4.211 4.340 -0.037 0.000 0.202 140 Q C 2.295 178.354 176.000 0.098 0.000 0.978 140 Q CA 1.109 56.814 55.803 -0.163 0.000 0.844 140 Q CB -0.410 28.270 28.738 -0.097 0.000 0.898 140 Q HN 0.397 nan 8.270 nan 0.000 0.426 141 L N 0.483 121.762 121.223 0.094 0.000 1.994 141 L HA -0.175 4.143 4.340 -0.037 0.000 0.208 141 L C 2.473 179.416 176.870 0.121 0.000 1.071 141 L CA 2.066 56.982 54.840 0.126 0.000 0.745 141 L CB -0.888 41.234 42.059 0.105 0.000 0.892 141 L HN 0.070 nan 8.230 nan 0.000 0.431 142 S N -0.723 115.016 115.700 0.065 0.000 2.365 142 S HA -0.250 4.198 4.470 -0.037 0.000 0.225 142 S C 2.150 176.807 174.600 0.096 0.000 1.039 142 S CA 1.545 59.773 58.200 0.047 0.000 1.033 142 S CB -0.636 62.559 63.200 -0.009 0.000 0.887 142 S HN 0.687 nan 8.310 nan 0.000 0.447 143 A N 1.411 124.299 122.820 0.115 0.000 1.902 143 A HA 0.141 4.439 4.320 -0.037 0.000 0.217 143 A C 2.490 180.197 177.584 0.206 0.000 1.181 143 A CA 2.017 54.163 52.037 0.181 0.000 0.623 143 A CB -1.471 17.706 19.000 0.295 0.000 0.818 143 A HN 0.798 nan 8.150 nan 0.000 0.443 144 A N -0.041 122.919 122.820 0.233 0.000 1.892 144 A HA -0.170 4.128 4.320 -0.037 0.000 0.218 144 A C 2.070 179.736 177.584 0.136 0.000 1.188 144 A CA 1.852 53.985 52.037 0.161 0.000 0.631 144 A CB -0.675 18.419 19.000 0.157 0.000 0.822 144 A HN 0.498 nan 8.150 nan 0.000 0.447 145 I N -0.550 120.130 120.570 0.184 0.000 2.394 145 I HA -0.178 3.970 4.170 -0.037 0.000 0.251 145 I C 2.526 178.790 176.117 0.245 0.000 1.136 145 I CA 1.619 63.072 61.300 0.255 0.000 1.425 145 I CB -0.438 37.766 38.000 0.340 0.000 1.079 145 I HN 0.235 nan 8.210 nan 0.000 0.425 146 T N 0.590 115.250 114.554 0.177 0.000 2.708 146 T HA -0.159 4.169 4.350 -0.037 0.000 0.266 146 T C 2.098 176.865 174.700 0.112 0.000 1.037 146 T CA 1.495 63.681 62.100 0.143 0.000 1.146 146 T CB -0.378 68.557 68.868 0.111 0.000 0.865 146 T HN 0.463 nan 8.240 nan 0.000 0.435 147 A N 1.033 123.920 122.820 0.111 0.000 2.019 147 A HA 0.042 4.340 4.320 -0.037 0.000 0.219 147 A C 2.161 179.809 177.584 0.106 0.000 1.164 147 A CA 1.058 53.169 52.037 0.123 0.000 0.644 147 A CB -0.826 18.240 19.000 0.110 0.000 0.805 147 A HN 0.501 nan 8.150 nan 0.000 0.449 148 L N 0.008 121.227 121.223 -0.006 0.000 2.465 148 L HA -0.146 4.172 4.340 -0.037 0.000 0.224 148 L C 2.124 178.713 176.870 -0.468 0.000 1.145 148 L CA 1.059 55.780 54.840 -0.199 0.000 0.834 148 L CB -0.621 41.316 42.059 -0.202 0.000 0.944 148 L HN 0.752 nan 8.230 nan 0.000 0.451 149 N N -1.260 117.280 118.700 -0.267 0.000 2.519 149 N HA -0.209 4.509 4.740 -0.037 0.000 0.186 149 N C 1.820 177.230 175.510 -0.166 0.000 1.062 149 N CA 0.935 53.842 53.050 -0.238 0.000 0.910 149 N CB -0.013 38.485 38.487 0.019 0.000 0.958 149 N HN 0.033 nan 8.380 nan 0.000 0.445 150 S N 0.192 115.823 115.700 -0.116 0.000 2.400 150 S HA -0.176 4.272 4.470 -0.037 0.000 0.234 150 S C 1.255 175.795 174.600 -0.099 0.000 1.049 150 S CA 1.381 59.529 58.200 -0.087 0.000 1.039 150 S CB -0.271 62.920 63.200 -0.015 0.000 0.856 150 S HN 0.517 nan 8.310 nan 0.000 0.465 151 E N 0.533 120.627 120.200 -0.177 0.000 2.474 151 E HA 0.138 4.465 4.350 -0.037 0.000 0.195 151 E C 0.377 176.914 176.600 -0.104 0.000 1.039 151 E CA -0.126 56.188 56.400 -0.144 0.000 0.881 151 E CB 0.266 29.861 29.700 -0.176 0.000 0.970 151 E HN 0.305 nan 8.360 nan 0.000 0.486 152 S N 1.954 117.592 115.700 -0.102 0.000 2.555 152 S HA 0.004 4.452 4.470 -0.037 0.000 0.293 152 S C 1.020 175.698 174.600 0.130 0.000 1.248 152 S CA -0.359 57.912 58.200 0.119 0.000 1.096 152 S CB 0.267 63.600 63.200 0.222 0.000 0.881 152 S HN 0.046 nan 8.310 nan 0.000 0.498 153 N N 3.996 122.801 118.700 0.175 0.000 2.244 153 N HA -0.060 4.658 4.740 -0.037 0.000 0.183 153 N C 1.069 176.657 175.510 0.130 0.000 1.016 153 N CA 0.949 54.075 53.050 0.126 0.000 0.866 153 N CB -0.468 38.098 38.487 0.132 0.000 0.980 153 N HN 0.775 nan 8.380 nan 0.000 0.430 154 F N 1.626 121.622 119.950 0.076 0.000 2.163 154 F HA 0.091 4.596 4.527 -0.036 0.000 0.297 154 F C 2.153 177.992 175.800 0.065 0.000 1.094 154 F CA 0.944 58.977 58.000 0.055 0.000 1.290 154 F CB -0.451 38.567 39.000 0.030 0.000 1.017 154 F HN 0.005 nan 8.300 nan 0.000 0.483 155 A N 0.850 123.686 122.820 0.027 0.000 1.917 155 A HA -0.291 4.007 4.320 -0.037 0.000 0.219 155 A C 2.380 179.924 177.584 -0.068 0.000 1.182 155 A CA 2.204 54.227 52.037 -0.023 0.000 0.633 155 A CB -0.953 18.082 19.000 0.058 0.000 0.819 155 A HN 0.519 nan 8.150 nan 0.000 0.448 156 R N -0.713 119.760 120.500 -0.046 0.000 2.073 156 R HA 0.059 4.376 4.340 -0.037 0.000 0.229 156 R C 2.273 178.528 176.300 -0.076 0.000 1.120 156 R CA 1.328 57.403 56.100 -0.042 0.000 0.967 156 R CB -0.413 29.877 30.300 -0.018 0.000 0.862 156 R HN 0.399 nan 8.270 nan 0.000 0.436 157 A N 0.097 122.849 122.820 -0.113 0.000 1.902 157 A HA -0.206 4.092 4.320 -0.037 0.000 0.217 157 A C 1.998 179.476 177.584 -0.177 0.000 1.181 157 A CA 1.242 53.205 52.037 -0.125 0.000 0.623 157 A CB -0.896 18.049 19.000 -0.090 0.000 0.818 157 A HN 0.598 nan 8.150 nan 0.000 0.443 158 Y N 0.681 120.741 120.300 -0.401 0.000 2.128 158 Y HA -0.167 4.367 4.550 -0.027 0.000 0.284 158 Y C 2.675 178.473 175.900 -0.171 0.000 1.154 158 Y CA 1.474 59.356 58.100 -0.363 0.000 1.149 158 Y CB -0.493 37.605 38.460 -0.604 0.000 0.976 158 Y HN 0.313 nan 8.280 nan 0.000 0.505 159 A N 0.161 122.969 122.820 -0.021 0.000 1.933 159 A HA -0.202 4.096 4.320 -0.037 0.000 0.218 159 A C 1.985 179.514 177.584 -0.091 0.000 1.175 159 A CA 1.895 53.919 52.037 -0.022 0.000 0.628 159 A CB -0.654 18.349 19.000 0.005 0.000 0.814 159 A HN 0.658 nan 8.150 nan 0.000 0.444 160 E N -1.619 118.518 120.200 -0.105 0.000 2.482 160 E HA 0.194 4.521 4.350 -0.037 0.000 0.196 160 E C 1.080 177.599 176.600 -0.135 0.000 1.047 160 E CA 0.328 56.668 56.400 -0.099 0.000 0.869 160 E CB -0.135 29.521 29.700 -0.074 0.000 0.836 160 E HN 0.786 nan 8.360 nan 0.000 0.520 161 G N 1.982 110.648 108.800 -0.223 0.000 2.134 161 G HA2 -0.252 3.686 3.960 -0.037 0.000 0.209 161 G HA3 -0.252 3.686 3.960 -0.037 0.000 0.209 161 G C 0.360 175.161 174.900 -0.165 0.000 0.993 161 G CA 0.088 45.050 45.100 -0.229 0.000 0.669 161 G HN 0.282 nan 8.290 nan 0.000 0.519 162 I N -0.761 119.730 120.570 -0.131 0.000 2.948 162 I HA 0.393 4.541 4.170 -0.037 0.000 0.290 162 I C 1.180 177.266 176.117 -0.051 0.000 1.226 162 I CA -0.995 60.270 61.300 -0.058 0.000 1.413 162 I CB 0.307 38.311 38.000 0.006 0.000 1.352 162 I HN 0.009 nan 8.210 nan 0.000 0.597 163 L N 5.927 127.106 121.223 -0.073 0.000 2.490 163 L HA 0.067 4.385 4.340 -0.037 0.000 0.274 163 L C 1.633 178.347 176.870 -0.260 0.000 1.201 163 L CA 0.465 55.235 54.840 -0.117 0.000 0.869 163 L CB 0.425 42.430 42.059 -0.089 0.000 1.123 163 L HN 0.795 nan 8.230 nan 0.000 0.484 164 R N 1.774 122.025 120.500 -0.414 0.000 2.170 164 R HA -0.191 4.127 4.340 -0.037 0.000 0.242 164 R C 1.572 177.445 176.300 -0.712 0.000 1.145 164 R CA 1.544 57.024 56.100 -1.033 0.000 0.984 164 R CB -1.091 28.863 30.300 -0.576 0.000 0.869 164 R HN 0.864 nan 8.270 nan 0.000 0.455 165 T N -0.108 114.271 114.554 -0.291 0.000 2.803 165 T HA -0.111 4.217 4.350 -0.037 0.000 0.269 165 T C 1.676 176.377 174.700 0.001 0.000 1.052 165 T CA 1.048 63.090 62.100 -0.096 0.000 1.136 165 T CB -0.086 68.764 68.868 -0.030 0.000 0.864 165 T HN 0.246 nan 8.240 nan 0.000 0.467 166 K N -0.440 119.920 120.400 -0.068 0.000 2.487 166 K HA 0.076 4.374 4.320 -0.037 0.000 0.192 166 K C 1.559 178.159 176.600 -0.000 0.000 1.027 166 K CA -0.017 56.221 56.287 -0.082 0.000 1.054 166 K CB -0.153 32.301 32.500 -0.076 0.000 0.824 166 K HN 0.380 nan 8.250 nan 0.000 0.510 167 Y N 1.598 121.963 120.300 0.107 0.000 2.069 167 Y HA -0.333 4.198 4.550 -0.032 0.000 0.278 167 Y C 2.242 178.211 175.900 0.115 0.000 1.175 167 Y CA 1.019 59.275 58.100 0.258 0.000 1.134 167 Y CB -1.294 37.370 38.460 0.341 0.000 0.965 167 Y HN 0.380 nan 8.280 nan 0.000 0.498 168 W N 1.644 123.062 121.300 0.197 0.000 2.308 168 W HA -0.257 4.378 4.660 -0.041 0.000 0.301 168 W C 1.249 177.801 176.519 0.055 0.000 1.220 168 W CA 1.754 59.118 57.345 0.032 0.000 1.240 168 W CB -0.904 28.495 29.460 -0.102 0.000 1.142 168 W HN 0.278 nan 8.180 nan 0.000 0.521 169 E N 0.549 120.093 120.200 -1.094 0.000 2.150 169 E HA -0.203 4.124 4.350 -0.037 0.000 0.193 169 E C 2.166 178.613 176.600 -0.255 0.000 0.985 169 E CA 1.783 57.540 56.400 -1.072 0.000 0.814 169 E CB -0.382 28.654 29.700 -1.106 0.000 0.752 169 E HN 0.310 nan 8.360 nan 0.000 0.466 170 M N -0.010 119.581 119.600 -0.015 0.000 2.394 170 M HA -0.057 4.401 4.480 -0.037 0.000 0.266 170 M C 2.161 178.592 176.300 0.218 0.000 1.098 170 M CA 0.553 55.953 55.300 0.165 0.000 1.149 170 M CB 0.317 33.089 32.600 0.286 0.000 1.369 170 M HN -0.079 nan 8.290 nan 0.000 0.450 171 V N -0.556 119.456 119.914 0.163 0.000 2.255 171 V HA -0.320 3.778 4.120 -0.037 0.000 0.247 171 V C 2.154 178.307 176.094 0.098 0.000 1.051 171 V CA 2.196 64.516 62.300 0.033 0.000 1.018 171 V CB -0.919 30.843 31.823 -0.102 0.000 0.641 171 V HN 0.515 nan 8.190 nan 0.000 0.445 172 Y N 1.279 121.607 120.300 0.046 0.000 2.114 172 Y HA -0.270 4.258 4.550 -0.036 0.000 0.282 172 Y C 2.668 178.611 175.900 0.072 0.000 1.165 172 Y CA 2.226 60.381 58.100 0.092 0.000 1.148 172 Y CB -0.152 38.397 38.460 0.150 0.000 0.972 172 Y HN 0.300 nan 8.280 nan 0.000 0.504 173 E N -0.005 120.354 120.200 0.264 0.000 2.031 173 E HA -0.240 4.088 4.350 -0.037 0.000 0.193 173 E C 2.477 179.080 176.600 0.004 0.000 0.994 173 E CA 1.570 58.049 56.400 0.132 0.000 0.800 173 E CB -0.808 29.003 29.700 0.185 0.000 0.752 173 E HN 0.559 nan 8.360 nan 0.000 0.447 174 S N 1.116 116.844 115.700 0.048 0.000 2.399 174 S HA -0.067 4.381 4.470 -0.037 0.000 0.231 174 S C 2.223 176.696 174.600 -0.212 0.000 1.022 174 S CA 1.177 59.392 58.200 0.024 0.000 0.983 174 S CB -0.091 63.237 63.200 0.213 0.000 0.803 174 S HN 0.264 nan 8.310 nan 0.000 0.480 175 A N 2.567 125.257 122.820 -0.216 0.000 1.865 175 A HA -0.036 4.262 4.320 -0.037 0.000 0.217 175 A C 2.448 179.812 177.584 -0.367 0.000 1.191 175 A CA 1.967 53.835 52.037 -0.282 0.000 0.623 175 A CB -0.727 18.181 19.000 -0.153 0.000 0.826 175 A HN 0.586 nan 8.150 nan 0.000 0.444 176 M N -0.390 119.004 119.600 -0.343 0.000 2.175 176 M HA -0.102 4.356 4.480 -0.037 0.000 0.264 176 M C 1.393 177.507 176.300 -0.310 0.000 1.063 176 M CA 1.346 56.456 55.300 -0.317 0.000 1.119 176 M CB -1.424 31.020 32.600 -0.260 0.000 1.377 176 M HN 0.336 nan 8.290 nan 0.000 0.415 177 D N 0.525 120.803 120.400 -0.202 0.000 2.144 177 D HA -0.096 4.522 4.640 -0.037 0.000 0.200 177 D C 2.020 178.211 176.300 -0.181 0.000 0.978 177 D CA 0.758 54.688 54.000 -0.117 0.000 0.833 177 D CB -0.272 40.547 40.800 0.032 0.000 0.961 177 D HN 0.164 nan 8.370 nan 0.000 0.470 178 L N 0.952 121.983 121.223 -0.319 0.000 2.017 178 L HA -0.076 4.242 4.340 -0.037 0.000 0.208 178 L C 2.088 178.681 176.870 -0.462 0.000 1.073 178 L CA 1.377 55.963 54.840 -0.424 0.000 0.745 178 L CB -0.784 40.834 42.059 -0.736 0.000 0.894 178 L HN -0.025 nan 8.230 nan 0.000 0.432 179 I N -0.220 119.962 120.570 -0.646 0.000 2.226 179 I HA -0.300 3.848 4.170 -0.037 0.000 0.245 179 I C 2.601 178.307 176.117 -0.685 0.000 1.100 179 I CA 1.231 62.015 61.300 -0.861 0.000 1.374 179 I CB -0.664 36.435 38.000 -1.500 0.000 1.057 179 I HN 0.354 nan 8.210 nan 0.000 0.413 180 A N 0.850 123.283 122.820 -0.644 0.000 1.908 180 A HA -0.250 4.048 4.320 -0.037 0.000 0.218 180 A C 2.289 179.818 177.584 -0.093 0.000 1.181 180 A CA 1.907 53.786 52.037 -0.264 0.000 0.627 180 A CB -0.427 18.471 19.000 -0.170 0.000 0.818 180 A HN 0.398 nan 8.150 nan 0.000 0.445 181 K N -0.638 119.689 120.400 -0.123 0.000 2.262 181 K HA 0.232 4.530 4.320 -0.037 0.000 0.200 181 K C 1.747 178.293 176.600 -0.090 0.000 1.049 181 K CA 0.422 56.670 56.287 -0.065 0.000 0.979 181 K CB -0.238 32.255 32.500 -0.011 0.000 0.773 181 K HN 0.393 nan 8.250 nan 0.000 0.474 182 L N 1.482 122.621 121.223 -0.139 0.000 1.991 182 L HA -0.221 4.096 4.340 -0.037 0.000 0.221 182 L C -0.814 175.896 176.870 -0.265 0.000 1.079 182 L CA 1.842 56.584 54.840 -0.164 0.000 0.778 182 L CB -1.249 40.692 42.059 -0.196 0.000 0.893 182 L HN 0.117 nan 8.230 nan 0.000 0.437 183 P HA -0.129 nan 4.420 nan 0.000 0.219 183 P C 1.608 178.737 177.300 -0.284 0.000 1.146 183 P CA 1.374 63.935 63.100 -0.899 0.000 0.808 183 P CB -0.287 30.727 31.700 -1.143 0.000 0.779 184 C N -1.482 117.734 119.300 -0.140 0.000 2.466 184 C HA -0.027 4.411 4.460 -0.037 0.000 0.278 184 C C 2.844 177.856 174.990 0.038 0.000 1.288 184 C CA 0.344 59.353 59.018 -0.014 0.000 1.722 184 C CB -1.438 26.296 27.740 -0.010 0.000 2.017 184 C HN 0.106 nan 8.230 nan 0.000 0.488 185 V N 1.771 121.698 119.914 0.021 0.000 2.270 185 V HA -0.197 3.901 4.120 -0.037 0.000 0.245 185 V C 2.812 178.993 176.094 0.145 0.000 1.043 185 V CA 2.298 64.641 62.300 0.072 0.000 1.014 185 V CB -1.383 30.481 31.823 0.069 0.000 0.645 185 V HN 0.568 nan 8.190 nan 0.000 0.447 186 A N -0.036 122.872 122.820 0.147 0.000 1.908 186 A HA -0.164 4.134 4.320 -0.037 0.000 0.218 186 A C 2.364 180.250 177.584 0.505 0.000 1.181 186 A CA 2.374 54.597 52.037 0.312 0.000 0.627 186 A CB -0.746 18.403 19.000 0.249 0.000 0.818 186 A HN 0.595 nan 8.150 nan 0.000 0.445 187 A N -0.852 122.219 122.820 0.419 0.000 1.930 187 A HA -0.032 4.266 4.320 -0.037 0.000 0.215 187 A C 2.086 179.830 177.584 0.267 0.000 1.176 187 A CA 1.654 53.921 52.037 0.384 0.000 0.632 187 A CB -0.363 18.840 19.000 0.340 0.000 0.819 187 A HN 0.507 nan 8.150 nan 0.000 0.445 188 K N -0.159 120.357 120.400 0.193 0.000 2.063 188 K HA -0.098 4.200 4.320 -0.037 0.000 0.208 188 K C 1.715 178.390 176.600 0.125 0.000 1.048 188 K CA 1.571 57.935 56.287 0.129 0.000 0.928 188 K CB -0.315 32.237 32.500 0.086 0.000 0.713 188 K HN 0.545 nan 8.250 nan 0.000 0.442 189 I N -0.191 120.494 120.570 0.192 0.000 2.226 189 I HA -0.299 3.848 4.170 -0.037 0.000 0.245 189 I C 2.136 178.292 176.117 0.064 0.000 1.100 189 I CA 1.163 62.568 61.300 0.175 0.000 1.374 189 I CB -0.327 37.854 38.000 0.300 0.000 1.057 189 I HN 0.223 nan 8.210 nan 0.000 0.413 190 Y N 1.620 121.939 120.300 0.032 0.000 2.114 190 Y HA -0.294 4.232 4.550 -0.039 0.000 0.284 190 Y C 2.723 178.552 175.900 -0.119 0.000 1.143 190 Y CA 1.749 59.755 58.100 -0.158 0.000 1.135 190 Y CB -0.147 38.147 38.460 -0.276 0.000 0.980 190 Y HN -0.073 nan 8.280 nan 0.000 0.499 191 R N 0.566 121.076 120.500 0.016 0.000 2.073 191 R HA -0.082 4.236 4.340 -0.037 0.000 0.229 191 R C 1.975 178.207 176.300 -0.113 0.000 1.120 191 R CA 1.910 57.999 56.100 -0.019 0.000 0.967 191 R CB -0.751 29.588 30.300 0.066 0.000 0.862 191 R HN 0.548 nan 8.270 nan 0.000 0.436 192 N N -0.479 118.157 118.700 -0.107 0.000 2.084 192 N HA -0.164 4.554 4.740 -0.037 0.000 0.190 192 N C 1.141 176.505 175.510 -0.244 0.000 1.030 192 N CA 0.895 53.868 53.050 -0.127 0.000 0.849 192 N CB -0.096 38.351 38.487 -0.067 0.000 1.012 192 N HN 0.005 nan 8.380 nan 0.000 0.423 193 L N -0.106 120.849 121.223 -0.447 0.000 2.023 193 L HA -0.079 4.239 4.340 -0.037 0.000 0.205 193 L C 1.329 177.753 176.870 -0.744 0.000 1.073 193 L CA 1.738 56.144 54.840 -0.723 0.000 0.745 193 L CB -0.895 40.392 42.059 -1.286 0.000 0.900 193 L HN 0.248 nan 8.230 nan 0.000 0.435 194 Y N -1.294 118.790 120.300 -0.361 0.000 2.481 194 Y HA 0.232 4.759 4.550 -0.038 0.000 0.258 194 Y C 1.113 176.840 175.900 -0.288 0.000 1.103 194 Y CA -0.231 57.630 58.100 -0.397 0.000 1.287 194 Y CB 0.127 38.137 38.460 -0.750 0.000 1.108 194 Y HN 0.001 nan 8.280 nan 0.000 0.529 195 R N 0.427 120.843 120.500 -0.141 0.000 2.776 195 R HA 0.458 4.776 4.340 -0.037 0.000 0.391 195 R C -0.016 176.242 176.300 -0.071 0.000 1.116 195 R CA -0.465 55.587 56.100 -0.081 0.000 1.056 195 R CB -0.139 30.131 30.300 -0.050 0.000 1.369 195 R HN 0.065 nan 8.270 nan 0.000 0.590 196 A N 0.307 123.079 122.820 -0.080 0.000 2.580 196 A HA 0.336 4.634 4.320 -0.037 0.000 0.244 196 A C 1.408 178.965 177.584 -0.045 0.000 1.045 196 A CA 1.495 53.491 52.037 -0.067 0.000 0.761 196 A CB -0.245 18.715 19.000 -0.067 0.000 0.962 196 A HN 0.759 nan 8.150 nan 0.000 0.512 197 G N 1.262 110.039 108.800 -0.038 0.000 2.194 197 G HA2 -0.147 3.791 3.960 -0.037 0.000 0.236 197 G HA3 -0.147 3.791 3.960 -0.037 0.000 0.236 197 G C 0.654 175.540 174.900 -0.023 0.000 0.987 197 G CA 0.899 45.982 45.100 -0.028 0.000 0.635 197 G HN 2.229 nan 8.290 nan 0.000 0.520 198 S N -0.593 115.092 115.700 -0.024 0.000 2.713 198 S HA 0.835 5.283 4.470 -0.037 0.000 0.277 198 S C 0.133 174.729 174.600 -0.007 0.000 1.168 198 S CA 0.682 58.873 58.200 -0.016 0.000 0.994 198 S CB 2.117 65.305 63.200 -0.020 0.000 1.054 198 S HN 1.839 nan 8.310 nan 0.000 0.555 199 S N -0.708 114.993 115.700 0.001 0.000 2.570 199 S HA 0.438 4.886 4.470 -0.037 0.000 0.286 199 S C 0.768 175.382 174.600 0.024 0.000 1.099 199 S CA -0.694 57.511 58.200 0.010 0.000 0.913 199 S CB 0.932 64.135 63.200 0.005 0.000 1.085 199 S HN 1.007 nan 8.310 nan 0.000 0.480 200 I N 0.917 121.508 120.570 0.034 0.000 2.928 200 I HA 0.467 4.615 4.170 -0.037 0.000 0.266 200 I C 1.174 177.316 176.117 0.042 0.000 1.234 200 I CA 0.418 61.750 61.300 0.053 0.000 1.483 200 I CB -1.228 36.816 38.000 0.073 0.000 1.097 200 I HN 1.017 nan 8.210 nan 0.000 0.455 201 G N 1.240 110.056 108.800 0.027 0.000 2.728 201 G HA2 0.113 4.051 3.960 -0.037 0.000 0.294 201 G HA3 0.113 4.051 3.960 -0.037 0.000 0.294 201 G C -0.560 174.353 174.900 0.022 0.000 1.342 201 G CA -0.358 44.755 45.100 0.022 0.000 0.866 201 G HN 0.907 nan 8.290 nan 0.000 0.534 202 A N -0.966 121.864 122.820 0.017 0.000 2.322 202 A HA 0.864 5.162 4.320 -0.037 0.000 0.327 202 A C 0.025 177.617 177.584 0.015 0.000 1.134 202 A CA -0.492 51.554 52.037 0.014 0.000 0.831 202 A CB 1.273 20.277 19.000 0.008 0.000 1.288 202 A HN 1.308 nan 8.150 nan 0.000 0.472 203 I N 0.949 121.528 120.570 0.015 0.000 2.385 203 I HA 0.228 4.376 4.170 -0.037 0.000 0.294 203 I C -0.825 175.296 176.117 0.005 0.000 0.988 203 I CA -0.165 61.146 61.300 0.018 0.000 1.265 203 I CB 1.369 39.387 38.000 0.031 0.000 1.388 203 I HN 0.671 nan 8.210 nan 0.000 0.480 204 D N 4.261 124.656 120.400 -0.008 0.000 2.381 204 D HA 0.173 4.791 4.640 -0.037 0.000 0.235 204 D C 0.765 177.055 176.300 -0.016 0.000 1.068 204 D CA -0.476 53.511 54.000 -0.022 0.000 0.832 204 D CB 1.541 42.309 40.800 -0.052 0.000 1.101 204 D HN 0.457 nan 8.370 nan 0.000 0.515 205 S N 3.197 118.891 115.700 -0.009 0.000 2.465 205 S HA -0.181 4.267 4.470 -0.037 0.000 0.241 205 S C 1.240 175.832 174.600 -0.012 0.000 1.000 205 S CA 0.865 59.061 58.200 -0.007 0.000 0.964 205 S CB -0.068 63.126 63.200 -0.010 0.000 0.763 205 S HN 0.494 nan 8.310 nan 0.000 0.512 206 K N 0.597 120.984 120.400 -0.021 0.000 2.404 206 K HA 0.331 4.629 4.320 -0.037 0.000 0.194 206 K C 0.079 176.664 176.600 -0.024 0.000 1.023 206 K CA 0.077 56.352 56.287 -0.020 0.000 1.094 206 K CB 0.012 32.502 32.500 -0.017 0.000 0.841 206 K HN 0.349 nan 8.250 nan 0.000 0.523 207 L N 1.629 122.828 121.223 -0.041 0.000 2.387 207 L HA 0.237 4.555 4.340 -0.037 0.000 0.266 207 L C 0.356 177.258 176.870 0.053 0.000 1.059 207 L CA -1.211 53.603 54.840 -0.043 0.000 0.801 207 L CB 0.594 42.514 42.059 -0.233 0.000 1.223 207 L HN 0.188 nan 8.230 nan 0.000 0.456 208 D N -0.491 119.981 120.400 0.119 0.000 2.357 208 D HA -0.112 4.505 4.640 -0.037 0.000 0.242 208 D C 0.606 177.082 176.300 0.294 0.000 1.153 208 D CA -0.487 53.625 54.000 0.188 0.000 0.918 208 D CB 1.193 42.100 40.800 0.179 0.000 1.181 208 D HN 0.685 nan 8.370 nan 0.000 0.435 209 W N 2.080 123.465 121.300 0.142 0.000 2.321 209 W HA -0.255 4.380 4.660 -0.042 0.000 0.306 209 W C 2.325 178.956 176.519 0.186 0.000 1.217 209 W CA 2.104 59.557 57.345 0.181 0.000 1.257 209 W CB -0.406 29.243 29.460 0.315 0.000 1.145 209 W HN 0.393 nan 8.180 nan 0.000 0.509 210 S N -1.575 114.304 115.700 0.297 0.000 2.356 210 S HA -0.310 4.138 4.470 -0.037 0.000 0.223 210 S C 1.638 176.319 174.600 0.135 0.000 1.032 210 S CA 1.633 59.907 58.200 0.123 0.000 1.005 210 S CB -0.989 62.277 63.200 0.110 0.000 0.867 210 S HN 0.570 nan 8.310 nan 0.000 0.449 211 H N 1.044 120.150 119.070 0.059 0.000 2.319 211 H HA -0.064 4.469 4.556 -0.038 0.000 0.299 211 H C 2.096 177.462 175.328 0.063 0.000 1.092 211 H CA 1.622 57.699 56.048 0.048 0.000 1.302 211 H CB -0.106 29.688 29.762 0.054 0.000 1.373 211 H HN 0.378 nan 8.280 nan 0.000 0.497 212 N N -0.470 118.349 118.700 0.199 0.000 2.149 212 N HA -0.176 4.542 4.740 -0.037 0.000 0.188 212 N C 1.576 177.184 175.510 0.164 0.000 1.019 212 N CA 0.966 54.082 53.050 0.111 0.000 0.857 212 N CB -0.143 38.387 38.487 0.072 0.000 0.997 212 N HN 0.219 nan 8.380 nan 0.000 0.426 213 F N 1.993 121.889 119.950 -0.090 0.000 2.046 213 F HA -0.206 4.299 4.527 -0.037 0.000 0.297 213 F C 2.654 178.432 175.800 -0.037 0.000 1.123 213 F CA 1.800 59.704 58.000 -0.160 0.000 1.199 213 F CB -1.351 37.431 39.000 -0.363 0.000 0.972 213 F HN 0.107 nan 8.300 nan 0.000 0.474 214 T N -1.765 112.811 114.554 0.035 0.000 2.759 214 T HA -0.236 4.092 4.350 -0.037 0.000 0.269 214 T C 1.878 176.665 174.700 0.146 0.000 1.042 214 T CA 1.793 63.925 62.100 0.053 0.000 1.140 214 T CB -1.144 67.786 68.868 0.102 0.000 0.864 214 T HN 0.446 nan 8.240 nan 0.000 0.455 215 N N 0.964 119.775 118.700 0.185 0.000 2.084 215 N HA -0.026 4.692 4.740 -0.037 0.000 0.190 215 N C 2.131 177.700 175.510 0.098 0.000 1.030 215 N CA 1.572 54.706 53.050 0.139 0.000 0.849 215 N CB -0.320 38.244 38.487 0.128 0.000 1.012 215 N HN 0.399 nan 8.380 nan 0.000 0.423 216 M N 0.678 120.350 119.600 0.120 0.000 2.149 216 M HA -0.160 4.298 4.480 -0.037 0.000 0.261 216 M C 1.917 178.284 176.300 0.112 0.000 1.064 216 M CA 1.351 56.725 55.300 0.123 0.000 1.102 216 M CB -0.404 32.298 32.600 0.171 0.000 1.369 216 M HN 0.178 nan 8.290 nan 0.000 0.408 217 L N -0.629 120.635 121.223 0.069 0.000 2.201 217 L HA -0.041 4.277 4.340 -0.037 0.000 0.212 217 L C 1.587 178.481 176.870 0.040 0.000 1.105 217 L CA 1.020 55.866 54.840 0.010 0.000 0.775 217 L CB -0.615 41.331 42.059 -0.188 0.000 0.913 217 L HN 0.647 nan 8.230 nan 0.000 0.440 218 G N -2.027 106.777 108.800 0.007 0.000 2.154 218 G HA2 -0.252 3.686 3.960 -0.037 0.000 0.186 218 G HA3 -0.252 3.686 3.960 -0.037 0.000 0.186 218 G C -0.189 174.496 174.900 -0.358 0.000 1.000 218 G CA -0.691 44.314 45.100 -0.158 0.000 0.664 218 G HN 0.199 nan 8.290 nan 0.000 0.513 219 Y N 0.856 121.070 120.300 -0.143 0.000 2.320 219 Y HA 0.480 5.008 4.550 -0.037 0.000 0.334 219 Y C 1.884 177.738 175.900 -0.076 0.000 1.055 219 Y CA 0.409 58.387 58.100 -0.204 0.000 1.143 219 Y CB 1.887 40.069 38.460 -0.463 0.000 1.193 219 Y HN 0.195 nan 8.280 nan 0.000 0.477 220 T N -2.449 112.121 114.554 0.028 0.000 3.039 220 T HA -0.026 4.302 4.350 -0.037 0.000 0.250 220 T C 0.480 175.217 174.700 0.061 0.000 1.052 220 T CA 0.002 62.127 62.100 0.043 0.000 1.125 220 T CB -0.127 68.746 68.868 0.008 0.000 0.908 220 T HN 0.547 nan 8.240 nan 0.000 0.473 221 D N 1.671 122.122 120.400 0.085 0.000 2.586 221 D HA 0.162 4.780 4.640 -0.037 0.000 0.234 221 D C 1.412 177.741 176.300 0.048 0.000 1.132 221 D CA 0.577 54.632 54.000 0.091 0.000 0.860 221 D CB 1.212 42.108 40.800 0.159 0.000 1.159 221 D HN 0.343 nan 8.370 nan 0.000 0.490 222 A N 4.633 127.466 122.820 0.022 0.000 1.972 222 A HA -0.209 4.089 4.320 -0.037 0.000 0.219 222 A C 1.917 179.460 177.584 -0.068 0.000 1.169 222 A CA 1.105 53.123 52.037 -0.031 0.000 0.635 222 A CB -0.225 18.773 19.000 -0.004 0.000 0.810 222 A HN 0.570 nan 8.150 nan 0.000 0.446 223 Q N -1.732 118.040 119.800 -0.046 0.000 2.230 223 Q HA -0.031 4.286 4.340 -0.037 0.000 0.202 223 Q C 1.670 177.447 176.000 -0.371 0.000 0.963 223 Q CA 0.737 56.462 55.803 -0.129 0.000 0.866 223 Q CB -0.506 28.237 28.738 0.009 0.000 0.931 223 Q HN 0.693 nan 8.270 nan 0.000 0.452 224 F N 1.250 120.821 119.950 -0.632 0.000 2.126 224 F HA -0.237 4.268 4.527 -0.038 0.000 0.299 224 F C 2.004 177.510 175.800 -0.491 0.000 1.096 224 F CA 1.839 59.365 58.000 -0.788 0.000 1.255 224 F CB -0.452 38.215 39.000 -0.556 0.000 0.997 224 F HN 0.037 nan 8.300 nan 0.000 0.479 225 T N 0.147 114.485 114.554 -0.362 0.000 2.684 225 T HA -0.204 4.124 4.350 -0.037 0.000 0.267 225 T C 1.820 176.311 174.700 -0.348 0.000 1.036 225 T CA 1.629 63.514 62.100 -0.360 0.000 1.148 225 T CB -0.347 68.321 68.868 -0.332 0.000 0.863 225 T HN 0.276 nan 8.240 nan 0.000 0.436 226 E N 0.765 120.806 120.200 -0.265 0.000 2.085 226 E HA -0.099 4.229 4.350 -0.037 0.000 0.194 226 E C 2.264 178.727 176.600 -0.229 0.000 0.994 226 E CA 0.766 57.074 56.400 -0.153 0.000 0.801 226 E CB -0.482 29.188 29.700 -0.051 0.000 0.743 226 E HN 0.313 nan 8.360 nan 0.000 0.453 227 L N 0.548 121.503 121.223 -0.447 0.000 2.012 227 L HA -0.189 4.129 4.340 -0.037 0.000 0.210 227 L C 2.465 178.975 176.870 -0.601 0.000 1.073 227 L CA 1.728 56.125 54.840 -0.739 0.000 0.748 227 L CB -0.533 40.988 42.059 -0.897 0.000 0.891 227 L HN 0.075 nan 8.230 nan 0.000 0.431 228 M N -0.595 118.579 119.600 -0.710 0.000 2.080 228 M HA -0.209 4.249 4.480 -0.037 0.000 0.260 228 M C 2.339 178.507 176.300 -0.221 0.000 1.068 228 M CA 1.775 56.741 55.300 -0.556 0.000 1.109 228 M CB -0.302 31.909 32.600 -0.648 0.000 1.342 228 M HN 0.186 nan 8.290 nan 0.000 0.405 229 R N -0.791 119.615 120.500 -0.157 0.000 2.073 229 R HA -0.159 4.158 4.340 -0.037 0.000 0.234 229 R C 2.150 178.458 176.300 0.013 0.000 1.134 229 R CA 1.658 57.751 56.100 -0.012 0.000 0.952 229 R CB -1.168 29.129 30.300 -0.004 0.000 0.850 229 R HN 0.344 nan 8.270 nan 0.000 0.433 230 L N 0.220 121.414 121.223 -0.048 0.000 2.046 230 L HA -0.193 4.125 4.340 -0.037 0.000 0.208 230 L C 2.227 179.098 176.870 0.001 0.000 1.077 230 L CA 1.630 56.449 54.840 -0.036 0.000 0.747 230 L CB -0.739 41.253 42.059 -0.111 0.000 0.896 230 L HN 0.086 nan 8.230 nan 0.000 0.432 231 Y N -0.248 119.948 120.300 -0.173 0.000 2.128 231 Y HA -0.248 4.278 4.550 -0.040 0.000 0.284 231 Y C 2.249 178.181 175.900 0.052 0.000 1.154 231 Y CA 2.096 60.138 58.100 -0.096 0.000 1.149 231 Y CB -0.301 37.995 38.460 -0.273 0.000 0.976 231 Y HN 0.185 nan 8.280 nan 0.000 0.505 232 L N -1.131 120.298 121.223 0.342 0.000 2.201 232 L HA -0.194 4.124 4.340 -0.037 0.000 0.212 232 L C 2.210 179.237 176.870 0.262 0.000 1.105 232 L CA 1.563 56.604 54.840 0.335 0.000 0.775 232 L CB -0.652 41.597 42.059 0.317 0.000 0.913 232 L HN 0.219 nan 8.230 nan 0.000 0.440 233 T N 0.350 115.005 114.554 0.167 0.000 2.851 233 T HA -0.074 4.254 4.350 -0.037 0.000 0.262 233 T C 1.861 176.578 174.700 0.029 0.000 1.043 233 T CA 1.345 63.493 62.100 0.080 0.000 1.140 233 T CB -0.068 68.828 68.868 0.046 0.000 0.872 233 T HN 0.441 nan 8.240 nan 0.000 0.446 234 I N -0.547 120.041 120.570 0.031 0.000 2.546 234 I HA -0.053 4.095 4.170 -0.037 0.000 0.255 234 I C 1.917 178.000 176.117 -0.058 0.000 1.163 234 I CA 1.566 62.858 61.300 -0.013 0.000 1.457 234 I CB -0.527 37.395 38.000 -0.130 0.000 1.092 234 I HN 0.177 nan 8.210 nan 0.000 0.434 235 H N 0.675 119.675 119.070 -0.117 0.000 2.551 235 H HA 0.143 4.675 4.556 -0.039 0.000 0.266 235 H C 2.350 177.789 175.328 0.185 0.000 0.977 235 H CA 0.688 56.666 56.048 -0.117 0.000 1.163 235 H CB 0.006 29.526 29.762 -0.403 0.000 1.381 235 H HN 0.309 nan 8.280 nan 0.000 0.581 236 S N -0.147 115.705 115.700 0.253 0.000 2.420 236 S HA -0.248 4.199 4.470 -0.037 0.000 0.278 236 S C 0.717 175.526 174.600 0.349 0.000 1.111 236 S CA 2.220 60.560 58.200 0.233 0.000 1.315 236 S CB -0.191 62.996 63.200 -0.022 0.000 1.226 236 S HN 0.576 nan 8.310 nan 0.000 0.444 237 D N -2.572 118.097 120.400 0.448 0.000 2.655 237 D HA 0.420 5.038 4.640 -0.037 0.000 0.229 237 D C -1.089 175.581 176.300 0.617 0.000 1.229 237 D CA -0.434 53.887 54.000 0.535 0.000 0.807 237 D CB 1.089 42.228 40.800 0.566 0.000 1.514 237 D HN 0.313 nan 8.370 nan 0.000 0.444 238 H N 2.425 121.677 119.070 0.302 0.000 2.806 238 H HA 0.199 4.731 4.556 -0.040 0.000 0.218 238 H C -0.514 174.838 175.328 0.040 0.000 1.392 238 H CA 0.037 56.187 56.048 0.170 0.000 1.358 238 H CB 0.447 30.323 29.762 0.190 0.000 1.944 238 H HN 0.733 nan 8.280 nan 0.000 0.530 239 E N -1.077 119.136 120.200 0.021 0.000 8.880 239 E HA -0.195 4.133 4.350 -0.037 0.000 0.183 239 E C 0.149 176.302 176.600 -0.745 0.000 1.450 239 E CA 0.970 57.247 56.400 -0.206 0.000 2.521 239 E CB -1.152 28.441 29.700 -0.179 0.000 1.229 239 E HN 0.457 nan 8.360 nan 0.000 0.443 240 G N -0.540 107.591 108.800 -1.115 0.000 2.603 240 G HA2 0.215 4.153 3.960 -0.037 0.000 0.214 240 G HA3 0.215 4.153 3.960 -0.037 0.000 0.214 240 G C 1.127 175.679 174.900 -0.580 0.000 1.140 240 G CA 0.553 44.809 45.100 -1.407 0.000 0.800 240 G HN 0.819 nan 8.290 nan 0.000 0.533 241 G N 0.642 109.208 108.800 -0.390 0.000 2.813 241 G HA2 0.022 3.960 3.960 -0.037 0.000 0.209 241 G HA3 0.022 3.960 3.960 -0.037 0.000 0.209 241 G C 0.709 175.527 174.900 -0.137 0.000 1.150 241 G CA 0.114 45.056 45.100 -0.263 0.000 0.785 241 G HN 0.616 nan 8.290 nan 0.000 0.535 242 N N -0.285 118.343 118.700 -0.120 0.000 2.453 242 N HA 0.148 4.866 4.740 -0.037 0.000 0.253 242 N C 1.165 176.607 175.510 -0.113 0.000 1.252 242 N CA -0.189 52.794 53.050 -0.113 0.000 0.917 242 N CB 1.261 39.748 38.487 0.001 0.000 1.117 242 N HN -0.173 nan 8.380 nan 0.000 0.442 243 V N 0.750 120.471 119.914 -0.322 0.000 2.282 243 V HA -0.323 3.775 4.120 -0.037 0.000 0.249 243 V C 2.509 178.627 176.094 0.039 0.000 1.057 243 V CA 2.501 64.706 62.300 -0.158 0.000 1.032 243 V CB -1.347 30.338 31.823 -0.229 0.000 0.645 243 V HN 0.940 nan 8.190 nan 0.000 0.447 244 S N 1.163 116.996 115.700 0.223 0.000 2.348 244 S HA -0.186 4.262 4.470 -0.037 0.000 0.221 244 S C 2.147 176.835 174.600 0.146 0.000 1.033 244 S CA 1.540 59.852 58.200 0.186 0.000 1.010 244 S CB -0.777 62.502 63.200 0.131 0.000 0.891 244 S HN 0.608 nan 8.310 nan 0.000 0.442 245 A N 1.764 124.688 122.820 0.172 0.000 1.877 245 A HA -0.173 4.125 4.320 -0.037 0.000 0.216 245 A C 2.231 179.953 177.584 0.230 0.000 1.186 245 A CA 1.804 53.957 52.037 0.192 0.000 0.620 245 A CB -1.617 17.418 19.000 0.058 0.000 0.822 245 A HN 0.842 nan 8.150 nan 0.000 0.443 246 H N -0.716 118.367 119.070 0.022 0.000 2.352 246 H HA -0.130 4.427 4.556 0.001 0.000 0.299 246 H C 2.144 177.546 175.328 0.123 0.000 1.097 246 H CA 1.603 57.681 56.048 0.049 0.000 1.311 246 H CB 0.114 29.863 29.762 -0.023 0.000 1.377 246 H HN 0.471 nan 8.280 nan 0.000 0.504 247 T N -0.046 114.552 114.554 0.073 0.000 2.684 247 T HA -0.224 4.104 4.350 -0.037 0.000 0.267 247 T C 2.361 177.111 174.700 0.082 0.000 1.036 247 T CA 1.757 63.855 62.100 -0.005 0.000 1.148 247 T CB -0.452 68.400 68.868 -0.027 0.000 0.863 247 T HN 0.565 nan 8.240 nan 0.000 0.436 248 S N 1.152 116.941 115.700 0.149 0.000 2.370 248 S HA -0.236 4.212 4.470 -0.037 0.000 0.226 248 S C 1.911 176.653 174.600 0.238 0.000 1.033 248 S CA 1.739 60.048 58.200 0.183 0.000 1.011 248 S CB -0.797 62.544 63.200 0.235 0.000 0.852 248 S HN 0.712 nan 8.310 nan 0.000 0.457 249 H N 1.205 120.407 119.070 0.221 0.000 2.357 249 H HA 0.093 4.621 4.556 -0.048 0.000 0.301 249 H C 2.017 177.467 175.328 0.204 0.000 1.082 249 H CA 1.506 57.710 56.048 0.261 0.000 1.342 249 H CB -0.477 29.507 29.762 0.370 0.000 1.389 249 H HN 0.320 nan 8.280 nan 0.000 0.511 250 L N 0.009 121.406 121.223 0.289 0.000 1.989 250 L HA -0.139 4.179 4.340 -0.037 0.000 0.211 250 L C 2.249 179.147 176.870 0.047 0.000 1.071 250 L CA 1.586 56.502 54.840 0.128 0.000 0.749 250 L CB -0.910 41.153 42.059 0.007 0.000 0.890 250 L HN 0.272 nan 8.230 nan 0.000 0.431 251 V N 0.061 120.000 119.914 0.042 0.000 2.307 251 V HA -0.154 3.944 4.120 -0.037 0.000 0.245 251 V C 2.631 178.731 176.094 0.010 0.000 1.045 251 V CA 1.661 63.974 62.300 0.021 0.000 1.024 251 V CB -1.550 30.288 31.823 0.025 0.000 0.651 251 V HN 0.635 nan 8.190 nan 0.000 0.449 252 G N 0.390 109.199 108.800 0.015 0.000 2.450 252 G HA2 -0.307 3.631 3.960 -0.037 0.000 0.220 252 G HA3 -0.307 3.631 3.960 -0.037 0.000 0.220 252 G C 1.851 176.720 174.900 -0.051 0.000 1.130 252 G CA 1.445 46.528 45.100 -0.028 0.000 0.760 252 G HN 0.652 nan 8.290 nan 0.000 0.557 253 S N 0.923 116.598 115.700 -0.041 0.000 2.400 253 S HA 0.114 4.562 4.470 -0.037 0.000 0.232 253 S C 2.320 176.925 174.600 0.008 0.000 1.025 253 S CA 1.408 59.594 58.200 -0.024 0.000 0.993 253 S CB -0.336 62.846 63.200 -0.030 0.000 0.808 253 S HN 0.637 nan 8.310 nan 0.000 0.478 254 A N 0.837 123.655 122.820 -0.003 0.000 2.238 254 A HA 0.579 4.877 4.320 -0.037 0.000 0.208 254 A C 1.198 178.760 177.584 -0.037 0.000 1.177 254 A CA 0.322 52.356 52.037 -0.005 0.000 0.804 254 A CB -0.819 18.178 19.000 -0.005 0.000 0.823 254 A HN 0.866 nan 8.150 nan 0.000 0.482 255 L N -1.552 119.640 121.223 -0.051 0.000 4.613 255 L HA -0.177 4.141 4.340 -0.037 0.000 0.409 255 L C 0.216 177.068 176.870 -0.029 0.000 1.100 255 L CA 0.039 54.833 54.840 -0.076 0.000 1.029 255 L CB -2.848 39.132 42.059 -0.132 0.000 2.137 255 L HN 0.214 nan 8.230 nan 0.000 0.713 256 S N 0.889 116.572 115.700 -0.029 0.000 2.549 256 S HA 0.277 4.725 4.470 -0.037 0.000 0.283 256 S C 0.537 175.158 174.600 0.034 0.000 1.320 256 S CA 0.025 58.235 58.200 0.017 0.000 1.058 256 S CB 0.836 64.048 63.200 0.020 0.000 0.882 256 S HN 0.464 nan 8.310 nan 0.000 0.498 257 D N 2.798 123.284 120.400 0.143 0.000 2.362 257 D HA 0.094 4.712 4.640 -0.037 0.000 0.238 257 D C -1.929 174.419 176.300 0.080 0.000 1.212 257 D CA -1.132 52.980 54.000 0.187 0.000 0.902 257 D CB -0.015 40.994 40.800 0.348 0.000 1.180 257 D HN 0.114 nan 8.370 nan 0.000 0.445 258 P HA -0.169 nan 4.420 nan 0.000 0.218 258 P C 0.699 177.976 177.300 -0.038 0.000 1.146 258 P CA 1.357 64.416 63.100 -0.068 0.000 0.813 258 P CB -0.153 31.435 31.700 -0.186 0.000 0.778 259 Y N -0.911 119.437 120.300 0.080 0.000 2.163 259 Y HA -0.100 4.424 4.550 -0.043 0.000 0.288 259 Y C 2.334 178.312 175.900 0.130 0.000 1.136 259 Y CA 0.865 59.032 58.100 0.111 0.000 1.147 259 Y CB -1.212 37.300 38.460 0.087 0.000 0.987 259 Y HN -0.173 nan 8.280 nan 0.000 0.509 260 L N -0.503 120.873 121.223 0.255 0.000 2.141 260 L HA -0.179 4.139 4.340 -0.037 0.000 0.209 260 L C 2.363 179.304 176.870 0.119 0.000 1.094 260 L CA 1.411 56.348 54.840 0.161 0.000 0.763 260 L CB -0.674 41.453 42.059 0.115 0.000 0.908 260 L HN 0.254 nan 8.230 nan 0.000 0.437 261 S N -0.346 115.424 115.700 0.117 0.000 2.387 261 S HA -0.154 4.294 4.470 -0.037 0.000 0.226 261 S C 1.846 176.516 174.600 0.116 0.000 1.026 261 S CA 0.580 58.837 58.200 0.095 0.000 0.972 261 S CB -0.665 62.582 63.200 0.079 0.000 0.814 261 S HN 0.311 nan 8.310 nan 0.000 0.477 262 F N 3.249 123.209 119.950 0.018 0.000 2.113 262 F HA 0.110 4.635 4.527 -0.004 0.000 0.297 262 F C 2.527 178.343 175.800 0.027 0.000 1.103 262 F CA 0.563 58.571 58.000 0.013 0.000 1.248 262 F CB -1.000 37.981 39.000 -0.032 0.000 0.999 262 F HN 0.233 nan 8.300 nan 0.000 0.475 263 A N 0.505 123.329 122.820 0.005 0.000 1.883 263 A HA -0.135 4.162 4.320 -0.037 0.000 0.217 263 A C 2.455 179.970 177.584 -0.115 0.000 1.186 263 A CA 2.144 54.145 52.037 -0.060 0.000 0.624 263 A CB -1.631 17.417 19.000 0.080 0.000 0.822 263 A HN 0.506 nan 8.150 nan 0.000 0.444 264 A N -0.222 122.561 122.820 -0.061 0.000 1.902 264 A HA 0.128 4.426 4.320 -0.037 0.000 0.217 264 A C 2.521 180.040 177.584 -0.108 0.000 1.181 264 A CA 2.220 54.221 52.037 -0.060 0.000 0.623 264 A CB -1.069 17.918 19.000 -0.023 0.000 0.818 264 A HN 1.146 nan 8.150 nan 0.000 0.443 265 A N -0.664 122.062 122.820 -0.155 0.000 1.908 265 A HA -0.171 4.127 4.320 -0.037 0.000 0.218 265 A C 2.169 179.590 177.584 -0.272 0.000 1.181 265 A CA 2.068 53.995 52.037 -0.183 0.000 0.627 265 A CB -0.512 18.368 19.000 -0.199 0.000 0.818 265 A HN 0.453 nan 8.150 nan 0.000 0.445 266 M N 0.083 119.434 119.600 -0.415 0.000 2.159 266 M HA -0.146 4.312 4.480 -0.037 0.000 0.263 266 M C 1.696 177.874 176.300 -0.204 0.000 1.063 266 M CA 1.222 56.309 55.300 -0.355 0.000 1.110 266 M CB -1.839 30.540 32.600 -0.368 0.000 1.374 266 M HN 0.536 nan 8.290 nan 0.000 0.411 267 N N 0.059 118.670 118.700 -0.147 0.000 2.223 267 N HA -0.105 4.613 4.740 -0.037 0.000 0.185 267 N C 1.825 177.283 175.510 -0.087 0.000 1.016 267 N CA 1.071 54.061 53.050 -0.100 0.000 0.863 267 N CB -0.120 38.325 38.487 -0.071 0.000 0.983 267 N HN 0.446 nan 8.380 nan 0.000 0.429 268 G N 1.452 110.206 108.800 -0.077 0.000 2.394 268 G HA2 -0.172 3.766 3.960 -0.037 0.000 0.214 268 G HA3 -0.172 3.766 3.960 -0.037 0.000 0.214 268 G C 1.446 176.351 174.900 0.008 0.000 1.176 268 G CA 0.092 45.187 45.100 -0.008 0.000 0.786 268 G HN 0.109 nan 8.290 nan 0.000 0.533 269 L N 1.553 122.685 121.223 -0.153 0.000 2.129 269 L HA 0.012 4.330 4.340 -0.037 0.000 0.212 269 L C 2.920 179.615 176.870 -0.291 0.000 1.087 269 L CA 1.816 56.383 54.840 -0.455 0.000 0.757 269 L CB -0.490 41.237 42.059 -0.553 0.000 0.896 269 L HN 0.251 nan 8.230 nan 0.000 0.434 270 A N -1.052 121.663 122.820 -0.175 0.000 2.209 270 A HA 0.265 4.563 4.320 -0.037 0.000 0.212 270 A C 1.371 178.895 177.584 -0.100 0.000 1.158 270 A CA 0.574 52.528 52.037 -0.139 0.000 0.742 270 A CB -1.242 17.669 19.000 -0.149 0.000 0.790 270 A HN 0.426 nan 8.150 nan 0.000 0.472 271 G N -0.420 108.350 108.800 -0.050 0.000 2.415 271 G HA2 0.422 4.360 3.960 -0.037 0.000 0.269 271 G HA3 0.422 4.360 3.960 -0.037 0.000 0.269 271 G C -1.354 173.554 174.900 0.012 0.000 1.209 271 G CA -1.049 44.040 45.100 -0.017 0.000 0.835 271 G HN 0.060 nan 8.290 nan 0.000 0.534 272 P HA -0.141 nan 4.420 nan 0.000 0.217 272 P C 1.710 179.040 177.300 0.049 0.000 1.148 272 P CA 0.926 64.044 63.100 0.029 0.000 0.834 272 P CB 0.189 31.901 31.700 0.020 0.000 0.783 273 L N -3.543 117.708 121.223 0.046 0.000 2.554 273 L HA 0.006 4.324 4.340 -0.037 0.000 0.226 273 L C 1.882 178.809 176.870 0.095 0.000 1.137 273 L CA 0.437 55.304 54.840 0.044 0.000 0.863 273 L CB -0.598 41.465 42.059 0.008 0.000 0.985 273 L HN 0.174 nan 8.230 nan 0.000 0.451 274 H N -0.394 118.667 119.070 -0.015 0.000 3.766 274 H HA 0.297 4.821 4.556 -0.053 0.000 0.238 274 H C 1.501 176.839 175.328 0.018 0.000 1.565 274 H CA 0.323 56.357 56.048 -0.023 0.000 1.479 274 H CB -0.048 29.670 29.762 -0.073 0.000 0.719 274 H HN -0.148 nan 8.280 nan 0.000 0.717 275 G N 0.452 109.064 108.800 -0.314 0.000 2.443 275 G HA2 -0.181 3.757 3.960 -0.037 0.000 0.219 275 G HA3 -0.181 3.757 3.960 -0.037 0.000 0.219 275 G C 1.467 176.411 174.900 0.072 0.000 1.131 275 G CA 0.788 45.755 45.100 -0.222 0.000 0.775 275 G HN 0.361 nan 8.290 nan 0.000 0.547 276 L N 1.214 122.453 121.223 0.026 0.000 2.265 276 L HA 0.124 4.442 4.340 -0.037 0.000 0.215 276 L C 3.036 179.991 176.870 0.141 0.000 1.117 276 L CA 1.325 56.215 54.840 0.085 0.000 0.782 276 L CB -0.424 41.647 42.059 0.020 0.000 0.914 276 L HN 0.255 nan 8.230 nan 0.000 0.441 277 A N -0.513 122.394 122.820 0.145 0.000 1.971 277 A HA -0.347 3.951 4.320 -0.037 0.000 0.222 277 A C 2.075 179.776 177.584 0.196 0.000 1.182 277 A CA 1.954 54.081 52.037 0.150 0.000 0.649 277 A CB -0.765 18.319 19.000 0.139 0.000 0.818 277 A HN 0.589 nan 8.150 nan 0.000 0.458 278 N N -0.404 118.454 118.700 0.263 0.000 2.184 278 N HA -0.311 4.407 4.740 -0.037 0.000 0.188 278 N C 1.870 177.596 175.510 0.360 0.000 0.923 278 N CA 2.385 55.631 53.050 0.326 0.000 0.897 278 N CB -0.600 38.125 38.487 0.396 0.000 1.060 278 N HN 0.834 nan 8.380 nan 0.000 0.763 279 Q N 0.282 120.266 119.800 0.307 0.000 2.137 279 Q HA -0.068 4.250 4.340 -0.037 0.000 0.198 279 Q C 1.209 177.331 176.000 0.203 0.000 0.960 279 Q CA 0.881 56.833 55.803 0.248 0.000 0.847 279 Q CB 0.095 28.944 28.738 0.186 0.000 0.915 279 Q HN 0.364 nan 8.270 nan 0.000 0.448 280 E N 0.451 120.761 120.200 0.184 0.000 2.106 280 E HA -0.105 4.223 4.350 -0.037 0.000 0.192 280 E C 2.283 179.004 176.600 0.201 0.000 0.984 280 E CA 0.892 57.389 56.400 0.163 0.000 0.806 280 E CB -0.179 29.586 29.700 0.110 0.000 0.750 280 E HN 0.206 nan 8.360 nan 0.000 0.458 281 V N 1.772 121.805 119.914 0.199 0.000 2.220 281 V HA -0.292 3.806 4.120 -0.037 0.000 0.250 281 V C 2.568 178.855 176.094 0.323 0.000 1.056 281 V CA 1.833 64.275 62.300 0.237 0.000 1.016 281 V CB -0.616 31.333 31.823 0.210 0.000 0.639 281 V HN 0.153 nan 8.190 nan 0.000 0.446 282 L N 0.629 122.030 121.223 0.297 0.000 2.042 282 L HA -0.135 4.183 4.340 -0.037 0.000 0.210 282 L C 2.437 179.445 176.870 0.230 0.000 1.076 282 L CA 2.368 57.372 54.840 0.274 0.000 0.749 282 L CB -1.189 41.048 42.059 0.297 0.000 0.893 282 L HN 0.396 nan 8.230 nan 0.000 0.432 283 G N -2.165 106.768 108.800 0.221 0.000 2.432 283 G HA2 -0.345 3.593 3.960 -0.037 0.000 0.219 283 G HA3 -0.345 3.593 3.960 -0.037 0.000 0.219 283 G C 1.394 176.455 174.900 0.269 0.000 1.135 283 G CA 0.612 45.831 45.100 0.198 0.000 0.767 283 G HN 0.576 nan 8.290 nan 0.000 0.550 284 W N 0.714 122.087 121.300 0.122 0.000 2.476 284 W HA 0.219 4.858 4.660 -0.035 0.000 0.281 284 W C 2.177 178.770 176.519 0.123 0.000 1.230 284 W CA 0.490 57.924 57.345 0.148 0.000 1.287 284 W CB -0.039 29.517 29.460 0.160 0.000 1.108 284 W HN 0.076 nan 8.180 nan 0.000 0.567 285 L N 0.363 121.783 121.223 0.329 0.000 2.027 285 L HA -0.148 4.170 4.340 -0.037 0.000 0.206 285 L C 2.747 179.617 176.870 0.000 0.000 1.074 285 L CA 1.361 56.272 54.840 0.119 0.000 0.745 285 L CB -1.292 40.890 42.059 0.205 0.000 0.898 285 L HN 0.060 nan 8.230 nan 0.000 0.433 286 A N -0.535 122.329 122.820 0.073 0.000 1.892 286 A HA -0.317 3.981 4.320 -0.037 0.000 0.218 286 A C 2.164 179.749 177.584 0.002 0.000 1.188 286 A CA 1.985 54.047 52.037 0.043 0.000 0.631 286 A CB -0.560 18.481 19.000 0.068 0.000 0.822 286 A HN 0.367 nan 8.150 nan 0.000 0.447 287 Q N -1.183 118.623 119.800 0.011 0.000 2.119 287 Q HA -0.085 4.233 4.340 -0.037 0.000 0.201 287 Q C 1.937 177.888 176.000 -0.081 0.000 0.972 287 Q CA 1.186 56.993 55.803 0.006 0.000 0.847 287 Q CB -0.435 28.337 28.738 0.057 0.000 0.903 287 Q HN 0.561 nan 8.270 nan 0.000 0.433 288 L N 0.471 121.513 121.223 -0.302 0.000 1.955 288 L HA -0.238 4.080 4.340 -0.037 0.000 0.213 288 L C 2.075 178.694 176.870 -0.418 0.000 1.072 288 L CA 2.142 56.522 54.840 -0.767 0.000 0.755 288 L CB -1.093 40.393 42.059 -0.956 0.000 0.888 288 L HN 0.273 nan 8.230 nan 0.000 0.432 289 Q N -0.840 118.803 119.800 -0.261 0.000 2.297 289 Q HA -0.255 4.062 4.340 -0.037 0.000 0.208 289 Q C 2.227 178.171 176.000 -0.094 0.000 0.981 289 Q CA 1.870 57.582 55.803 -0.152 0.000 0.876 289 Q CB -0.055 28.633 28.738 -0.083 0.000 0.921 289 Q HN 0.511 nan 8.270 nan 0.000 0.446 290 K N -0.598 119.759 120.400 -0.071 0.000 2.031 290 K HA 0.043 4.341 4.320 -0.037 0.000 0.205 290 K C 0.559 177.147 176.600 -0.020 0.000 1.049 290 K CA 0.770 57.039 56.287 -0.029 0.000 0.939 290 K CB -0.104 32.392 32.500 -0.007 0.000 0.717 290 K HN 0.234 nan 8.250 nan 0.000 0.438 296 G N 0.412 109.188 108.800 -0.041 0.000 2.504 296 G HA2 0.723 4.661 3.960 -0.037 0.000 0.288 296 G HA3 0.723 4.661 3.960 -0.037 0.000 0.288 296 G C 0.455 175.341 174.900 -0.023 0.000 1.182 296 G CA 0.143 45.221 45.100 -0.038 0.000 0.894 296 G HN 1.699 nan 8.290 nan 0.000 0.521 297 A N 0.415 123.227 122.820 -0.012 0.000 2.445 297 A HA 0.340 4.638 4.320 -0.037 0.000 0.242 297 A C 1.157 178.744 177.584 0.004 0.000 1.075 297 A CA -0.075 51.962 52.037 -0.001 0.000 0.777 297 A CB 0.259 19.263 19.000 0.007 0.000 1.013 297 A HN 0.587 nan 8.150 nan 0.000 0.493 298 D N 1.700 122.106 120.400 0.010 0.000 2.182 298 D HA -0.117 4.501 4.640 -0.037 0.000 0.201 298 D C 2.105 178.425 176.300 0.034 0.000 0.986 298 D CA 1.920 55.931 54.000 0.019 0.000 0.847 298 D CB -0.293 40.519 40.800 0.019 0.000 0.942 298 D HN 0.646 nan 8.370 nan 0.000 0.467 299 A N 0.195 123.036 122.820 0.036 0.000 1.933 299 A HA -0.128 4.170 4.320 -0.037 0.000 0.218 299 A C 2.396 180.020 177.584 0.066 0.000 1.175 299 A CA 1.562 53.631 52.037 0.053 0.000 0.628 299 A CB -0.493 18.532 19.000 0.040 0.000 0.814 299 A HN 0.146 nan 8.150 nan 0.000 0.444 300 S N -0.815 114.914 115.700 0.048 0.000 2.428 300 S HA -0.030 4.418 4.470 -0.037 0.000 0.230 300 S C 1.679 176.324 174.600 0.075 0.000 1.014 300 S CA 0.902 59.136 58.200 0.057 0.000 0.957 300 S CB -0.252 62.964 63.200 0.028 0.000 0.784 300 S HN 0.382 nan 8.310 nan 0.000 0.499 301 L N 1.659 122.908 121.223 0.043 0.000 2.217 301 L HA 0.107 4.425 4.340 -0.037 0.000 0.211 301 L C 2.281 179.215 176.870 0.106 0.000 1.107 301 L CA 1.405 56.264 54.840 0.031 0.000 0.783 301 L CB -0.451 41.615 42.059 0.010 0.000 0.919 301 L HN 0.219 nan 8.230 nan 0.000 0.442 302 R N -1.059 119.510 120.500 0.115 0.000 2.100 302 R HA -0.078 4.240 4.340 -0.037 0.000 0.220 302 R C 1.659 178.108 176.300 0.248 0.000 1.091 302 R CA 0.972 57.164 56.100 0.153 0.000 0.986 302 R CB -0.138 30.246 30.300 0.141 0.000 0.888 302 R HN 0.205 nan 8.270 nan 0.000 0.444 303 D N 0.224 120.760 120.400 0.227 0.000 2.123 303 D HA -0.219 4.398 4.640 -0.037 0.000 0.196 303 D C 1.528 177.959 176.300 0.218 0.000 0.992 303 D CA 1.282 55.419 54.000 0.228 0.000 0.833 303 D CB -0.360 40.531 40.800 0.152 0.000 0.954 303 D HN 0.291 nan 8.370 nan 0.000 0.455 304 Y N 1.052 121.387 120.300 0.057 0.000 2.181 304 Y HA -0.140 4.387 4.550 -0.038 0.000 0.288 304 Y C 2.278 178.207 175.900 0.050 0.000 1.146 304 Y CA 1.247 59.348 58.100 0.002 0.000 1.164 304 Y CB -0.175 38.224 38.460 -0.102 0.000 0.982 304 Y HN -0.082 nan 8.280 nan 0.000 0.515 305 I N -1.540 119.194 120.570 0.273 0.000 2.226 305 I HA -0.352 3.796 4.170 -0.037 0.000 0.245 305 I C 1.982 178.067 176.117 -0.053 0.000 1.100 305 I CA 1.561 62.958 61.300 0.162 0.000 1.374 305 I CB -0.591 37.417 38.000 0.013 0.000 1.057 305 I HN 0.329 nan 8.210 nan 0.000 0.413 306 W N 1.408 122.745 121.300 0.062 0.000 2.358 306 W HA -0.225 4.413 4.660 -0.036 0.000 0.303 306 W C 2.645 179.157 176.519 -0.011 0.000 1.208 306 W CA 1.505 58.861 57.345 0.018 0.000 1.274 306 W CB -0.460 29.005 29.460 0.008 0.000 1.138 306 W HN 0.225 nan 8.180 nan 0.000 0.515 307 N N -0.362 118.437 118.700 0.165 0.000 2.166 307 N HA -0.167 4.550 4.740 -0.037 0.000 0.186 307 N C 1.317 176.831 175.510 0.007 0.000 1.019 307 N CA 2.181 55.252 53.050 0.035 0.000 0.856 307 N CB -0.348 38.069 38.487 -0.117 0.000 0.993 307 N HN 0.075 nan 8.380 nan 0.000 0.426 308 T N 2.062 116.617 114.554 0.001 0.000 2.643 308 T HA -0.045 4.283 4.350 -0.037 0.000 0.264 308 T C 2.135 176.873 174.700 0.063 0.000 1.045 308 T CA 1.117 63.258 62.100 0.068 0.000 1.155 308 T CB -0.347 68.661 68.868 0.233 0.000 0.863 308 T HN 0.164 nan 8.240 nan 0.000 0.420 309 L N 1.050 122.299 121.223 0.044 0.000 2.042 309 L HA -0.147 4.171 4.340 -0.037 0.000 0.210 309 L C 2.389 179.332 176.870 0.122 0.000 1.076 309 L CA 1.467 56.333 54.840 0.043 0.000 0.749 309 L CB -0.746 41.269 42.059 -0.074 0.000 0.893 309 L HN 0.369 nan 8.230 nan 0.000 0.432 310 N N -1.013 117.790 118.700 0.172 0.000 2.309 310 N HA -0.113 4.605 4.740 -0.037 0.000 0.182 310 N C 1.492 177.050 175.510 0.079 0.000 1.018 310 N CA 0.784 53.922 53.050 0.146 0.000 0.876 310 N CB 0.071 38.644 38.487 0.142 0.000 0.972 310 N HN 0.150 nan 8.380 nan 0.000 0.434 311 S N -0.417 115.321 115.700 0.063 0.000 2.631 311 S HA 0.138 4.586 4.470 -0.037 0.000 0.217 311 S C 1.150 175.773 174.600 0.039 0.000 0.958 311 S CA 0.371 58.596 58.200 0.041 0.000 0.920 311 S CB 0.319 63.537 63.200 0.030 0.000 0.776 311 S HN 0.584 nan 8.310 nan 0.000 0.517 312 G N 1.732 110.558 108.800 0.043 0.000 2.160 312 G HA2 -0.254 3.684 3.960 -0.037 0.000 0.244 312 G HA3 -0.254 3.684 3.960 -0.037 0.000 0.244 312 G C -0.051 174.867 174.900 0.029 0.000 1.022 312 G CA -0.093 45.027 45.100 0.033 0.000 0.741 312 G HN 0.432 nan 8.290 nan 0.000 0.508 313 R N -1.204 119.316 120.500 0.033 0.000 2.873 313 R HA 0.762 5.080 4.340 -0.037 0.000 0.264 313 R C 0.562 176.867 176.300 0.008 0.000 1.026 313 R CA -0.221 55.897 56.100 0.030 0.000 1.002 313 R CB 1.848 32.181 30.300 0.055 0.000 1.174 313 R HN 0.636 nan 8.270 nan 0.000 0.488 314 V N -1.110 118.798 119.914 -0.011 0.000 2.716 314 V HA 0.512 4.610 4.120 -0.037 0.000 0.304 314 V C -0.043 175.984 176.094 -0.111 0.000 1.053 314 V CA -0.956 61.315 62.300 -0.048 0.000 0.984 314 V CB 1.685 33.483 31.823 -0.040 0.000 1.021 314 V HN 0.385 nan 8.190 nan 0.000 0.467 315 V N 4.966 124.780 119.914 -0.167 0.000 2.415 315 V HA 0.262 4.360 4.120 -0.037 0.000 0.267 315 V C -1.896 174.036 176.094 -0.271 0.000 1.042 315 V CA -0.925 61.167 62.300 -0.346 0.000 1.000 315 V CB 0.322 31.937 31.823 -0.348 0.000 1.015 315 V HN 0.904 nan 8.190 nan 0.000 0.478 316 P HA 0.359 nan 4.420 nan 0.000 0.275 316 P C 0.877 178.155 177.300 -0.038 0.000 1.227 316 P CA 0.608 63.614 63.100 -0.156 0.000 0.781 316 P CB 1.078 32.697 31.700 -0.135 0.000 0.906 317 G N 0.603 109.412 108.800 0.015 0.000 2.176 317 G HA2 -0.210 3.728 3.960 -0.037 0.000 0.232 317 G HA3 -0.210 3.728 3.960 -0.037 0.000 0.232 317 G C -0.548 174.165 174.900 -0.312 0.000 0.986 317 G CA -0.351 44.723 45.100 -0.043 0.000 0.643 317 G HN 0.472 nan 8.290 nan 0.000 0.522 318 Y N 0.105 120.381 120.300 -0.038 0.000 2.425 318 Y HA 0.574 5.102 4.550 -0.037 0.000 0.344 318 Y C 0.770 176.662 175.900 -0.013 0.000 0.969 318 Y CA 0.189 58.267 58.100 -0.038 0.000 1.052 318 Y CB 2.298 40.697 38.460 -0.101 0.000 1.215 318 Y HN 1.305 nan 8.280 nan 0.000 0.451 319 G N 2.186 111.059 108.800 0.121 0.000 2.662 319 G HA2 0.106 4.044 3.960 -0.037 0.000 0.686 319 G HA3 0.106 4.044 3.960 -0.037 0.000 0.686 319 G C -1.826 173.170 174.900 0.161 0.000 1.271 319 G CA -0.769 44.400 45.100 0.115 0.000 0.816 319 G HN 0.972 nan 8.290 nan 0.000 0.608 320 H N -0.145 118.954 119.070 0.048 0.000 3.112 320 H HA 0.560 5.095 4.556 -0.035 0.000 0.347 320 H C 0.914 176.265 175.328 0.039 0.000 1.188 320 H CA 0.368 56.447 56.048 0.051 0.000 1.240 320 H CB 1.582 31.386 29.762 0.070 0.000 1.920 320 H HN 1.276 nan 8.280 nan 0.000 0.535 321 A N 3.102 125.717 122.820 -0.341 0.000 2.015 321 A HA 0.011 4.309 4.320 -0.037 0.000 0.219 321 A C 1.255 178.876 177.584 0.062 0.000 1.163 321 A CA 2.060 54.030 52.037 -0.112 0.000 0.646 321 A CB 0.013 18.911 19.000 -0.169 0.000 0.806 321 A HN 0.294 nan 8.150 nan 0.000 0.448 322 V N -1.247 118.853 119.914 0.310 0.000 2.996 322 V HA 0.203 4.301 4.120 -0.037 0.000 0.235 322 V C 0.908 177.118 176.094 0.193 0.000 1.205 322 V CA -0.186 62.255 62.300 0.235 0.000 1.225 322 V CB -0.528 31.385 31.823 0.150 0.000 0.995 322 V HN 0.372 nan 8.190 nan 0.000 0.484 323 L N 1.503 122.857 121.223 0.219 0.000 2.514 323 L HA 0.127 4.445 4.340 -0.037 0.000 0.280 323 L C 1.316 178.250 176.870 0.107 0.000 1.223 323 L CA 0.426 55.260 54.840 -0.009 0.000 0.864 323 L CB 0.291 42.205 42.059 -0.241 0.000 1.118 323 L HN 0.206 nan 8.230 nan 0.000 0.494 324 R N 1.748 122.295 120.500 0.079 0.000 2.509 324 R HA 0.304 4.622 4.340 -0.037 0.000 0.297 324 R C -0.489 175.926 176.300 0.191 0.000 0.951 324 R CA -0.066 56.123 56.100 0.149 0.000 1.103 324 R CB 0.489 30.849 30.300 0.099 0.000 1.283 324 R HN 0.463 nan 8.270 nan 0.000 0.534 325 K N 0.167 120.596 120.400 0.049 0.000 2.466 325 K HA 0.357 4.655 4.320 -0.037 0.000 0.260 325 K C -0.433 176.040 176.600 -0.211 0.000 1.011 325 K CA -0.711 55.453 56.287 -0.206 0.000 0.871 325 K CB 1.166 33.535 32.500 -0.217 0.000 1.404 325 K HN -0.279 nan 8.250 nan 0.000 0.450 326 T N 2.010 116.310 114.554 -0.423 0.000 2.871 326 T HA -0.063 4.265 4.350 -0.037 0.000 0.296 326 T C 0.086 174.697 174.700 -0.148 0.000 0.998 326 T CA 0.353 62.311 62.100 -0.235 0.000 1.162 326 T CB -0.016 68.694 68.868 -0.264 0.000 0.947 326 T HN 0.277 nan 8.240 nan 0.000 0.536 327 D N 4.356 124.688 120.400 -0.113 0.000 2.493 327 D HA 0.017 4.635 4.640 -0.037 0.000 0.240 327 D C -1.131 175.147 176.300 -0.037 0.000 1.142 327 D CA -1.909 52.042 54.000 -0.081 0.000 0.872 327 D CB 1.155 41.911 40.800 -0.074 0.000 1.173 327 D HN 0.198 nan 8.370 nan 0.000 0.467 328 P HA -0.036 nan 4.420 nan 0.000 0.226 328 P C 1.071 178.341 177.300 -0.049 0.000 1.153 328 P CA 0.663 63.739 63.100 -0.039 0.000 0.777 328 P CB 0.385 32.057 31.700 -0.047 0.000 0.794 329 R N -1.567 118.887 120.500 -0.077 0.000 2.148 329 R HA -0.120 4.198 4.340 -0.037 0.000 0.223 329 R C 2.398 178.610 176.300 -0.148 0.000 1.088 329 R CA 0.946 56.959 56.100 -0.146 0.000 0.985 329 R CB -0.800 29.349 30.300 -0.253 0.000 0.880 329 R HN 0.201 nan 8.270 nan 0.000 0.451 330 Y N 1.252 121.440 120.300 -0.187 0.000 2.163 330 Y HA -0.197 4.330 4.550 -0.038 0.000 0.288 330 Y C 2.208 178.002 175.900 -0.175 0.000 1.136 330 Y CA 1.847 59.850 58.100 -0.162 0.000 1.147 330 Y CB -0.273 38.088 38.460 -0.165 0.000 0.987 330 Y HN -0.096 nan 8.280 nan 0.000 0.509 331 T N -0.398 114.172 114.554 0.026 0.000 2.684 331 T HA -0.303 4.025 4.350 -0.037 0.000 0.267 331 T C 2.098 176.724 174.700 -0.123 0.000 1.036 331 T CA 1.472 63.559 62.100 -0.022 0.000 1.148 331 T CB -1.216 67.666 68.868 0.023 0.000 0.863 331 T HN 0.646 nan 8.240 nan 0.000 0.436 332 C N 1.498 120.730 119.300 -0.114 0.000 2.375 332 C HA -0.207 4.231 4.460 -0.037 0.000 0.274 332 C C 2.768 177.651 174.990 -0.179 0.000 1.190 332 C CA 1.449 60.399 59.018 -0.113 0.000 1.775 332 C CB -1.247 26.431 27.740 -0.104 0.000 2.067 332 C HN 0.579 nan 8.230 nan 0.000 0.463 333 Q N -0.710 118.881 119.800 -0.347 0.000 2.123 333 Q HA -0.152 4.166 4.340 -0.037 0.000 0.199 333 Q C 2.455 178.041 176.000 -0.691 0.000 0.966 333 Q CA 1.409 56.912 55.803 -0.499 0.000 0.845 333 Q CB -0.274 28.098 28.738 -0.611 0.000 0.907 333 Q HN 0.731 nan 8.270 nan 0.000 0.439 334 R N 1.356 121.368 120.500 -0.814 0.000 2.066 334 R HA -0.190 4.128 4.340 -0.037 0.000 0.232 334 R C 2.115 178.279 176.300 -0.226 0.000 1.131 334 R CA 1.748 57.523 56.100 -0.541 0.000 0.955 334 R CB -0.105 30.068 30.300 -0.213 0.000 0.851 334 R HN 0.252 nan 8.270 nan 0.000 0.432 335 E N -0.497 119.612 120.200 -0.152 0.000 2.153 335 E HA -0.237 4.091 4.350 -0.037 0.000 0.194 335 E C 1.693 178.237 176.600 -0.094 0.000 0.988 335 E CA 1.147 57.498 56.400 -0.083 0.000 0.811 335 E CB -0.250 29.423 29.700 -0.045 0.000 0.746 335 E HN 0.450 nan 8.360 nan 0.000 0.466 336 F N 1.248 121.083 119.950 -0.193 0.000 2.113 336 F HA -0.039 4.467 4.527 -0.035 0.000 0.297 336 F C 2.209 177.929 175.800 -0.133 0.000 1.103 336 F CA 1.551 59.505 58.000 -0.078 0.000 1.248 336 F CB -0.546 38.405 39.000 -0.082 0.000 0.999 336 F HN 0.120 nan 8.300 nan 0.000 0.475 337 A N 0.617 123.335 122.820 -0.169 0.000 1.883 337 A HA -0.193 4.105 4.320 -0.037 0.000 0.217 337 A C 2.247 179.498 177.584 -0.555 0.000 1.186 337 A CA 1.983 53.679 52.037 -0.568 0.000 0.624 337 A CB -1.322 16.879 19.000 -1.332 0.000 0.822 337 A HN 0.483 nan 8.150 nan 0.000 0.444 338 L N -0.889 120.111 121.223 -0.371 0.000 2.191 338 L HA -0.184 4.134 4.340 -0.037 0.000 0.212 338 L C 2.300 179.036 176.870 -0.223 0.000 1.103 338 L CA 1.168 55.928 54.840 -0.134 0.000 0.769 338 L CB -0.222 41.829 42.059 -0.014 0.000 0.908 338 L HN 0.202 nan 8.230 nan 0.000 0.438 339 K N -1.226 118.933 120.400 -0.401 0.000 2.116 339 K HA 0.003 4.301 4.320 -0.037 0.000 0.203 339 K C 1.862 178.009 176.600 -0.755 0.000 1.052 339 K CA 1.289 57.202 56.287 -0.622 0.000 0.952 339 K CB -0.330 31.557 32.500 -1.021 0.000 0.729 339 K HN 0.411 nan 8.250 nan 0.000 0.446 340 H N -0.826 118.016 119.070 -0.379 0.000 2.695 340 H HA 0.245 4.779 4.556 -0.037 0.000 0.267 340 H C 0.675 175.809 175.328 -0.323 0.000 0.973 340 H CA 0.428 56.279 56.048 -0.329 0.000 1.223 340 H CB 0.657 30.165 29.762 -0.422 0.000 1.442 340 H HN 0.044 nan 8.280 nan 0.000 0.478 341 L N -1.004 120.018 121.223 -0.335 0.000 2.980 341 L HA 0.417 4.735 4.340 -0.037 0.000 0.314 341 L C -2.377 174.380 176.870 -0.188 0.000 1.303 341 L CA -1.229 53.320 54.840 -0.485 0.000 0.785 341 L CB 1.283 42.516 42.059 -1.378 0.000 1.190 341 L HN -0.253 nan 8.230 nan 0.000 0.567 342 P HA -0.010 nan 4.420 nan 0.000 0.226 342 P C 1.207 178.671 177.300 0.273 0.000 1.153 342 P CA 1.406 64.630 63.100 0.207 0.000 0.777 342 P CB 0.278 32.047 31.700 0.115 0.000 0.794 343 G N -0.713 108.184 108.800 0.161 0.000 3.126 343 G HA2 -0.041 3.897 3.960 -0.037 0.000 0.224 343 G HA3 -0.041 3.897 3.960 -0.037 0.000 0.224 343 G C 0.200 175.194 174.900 0.157 0.000 1.142 343 G CA -0.122 45.062 45.100 0.139 0.000 0.759 343 G HN 0.218 nan 8.290 nan 0.000 0.550 344 D N 1.609 122.135 120.400 0.209 0.000 2.382 344 D HA 0.056 4.674 4.640 -0.037 0.000 0.259 344 D C -0.967 175.449 176.300 0.193 0.000 1.224 344 D CA -1.432 52.704 54.000 0.226 0.000 0.894 344 D CB 2.165 43.125 40.800 0.266 0.000 1.127 344 D HN 0.054 nan 8.370 nan 0.000 0.487 345 P HA -0.190 nan 4.420 nan 0.000 0.218 345 P C 1.653 179.002 177.300 0.081 0.000 1.148 345 P CA 0.923 64.071 63.100 0.079 0.000 0.822 345 P CB 0.168 31.905 31.700 0.062 0.000 0.784 346 M N -1.430 118.246 119.600 0.127 0.000 2.086 346 M HA -0.117 4.341 4.480 -0.037 0.000 0.261 346 M C 2.149 178.548 176.300 0.164 0.000 1.067 346 M CA 1.814 57.195 55.300 0.135 0.000 1.116 346 M CB -0.798 31.897 32.600 0.159 0.000 1.348 346 M HN -0.187 nan 8.290 nan 0.000 0.407 347 F N 0.384 120.363 119.950 0.047 0.000 2.102 347 F HA -0.269 4.236 4.527 -0.037 0.000 0.298 347 F C 1.917 177.745 175.800 0.046 0.000 1.105 347 F CA 1.566 59.587 58.000 0.035 0.000 1.239 347 F CB -0.103 38.920 39.000 0.040 0.000 0.991 347 F HN 0.008 nan 8.300 nan 0.000 0.474 348 K N 0.121 120.368 120.400 -0.254 0.000 2.097 348 K HA -0.201 4.097 4.320 -0.037 0.000 0.206 348 K C 1.831 178.330 176.600 -0.168 0.000 1.049 348 K CA 1.464 57.552 56.287 -0.331 0.000 0.933 348 K CB -0.459 31.944 32.500 -0.162 0.000 0.717 348 K HN 0.263 nan 8.250 nan 0.000 0.442 349 L N 1.000 122.188 121.223 -0.058 0.000 2.046 349 L HA -0.142 4.176 4.340 -0.037 0.000 0.208 349 L C 1.947 178.836 176.870 0.031 0.000 1.077 349 L CA 1.556 56.391 54.840 -0.009 0.000 0.747 349 L CB -0.386 41.682 42.059 0.015 0.000 0.896 349 L HN -0.093 nan 8.230 nan 0.000 0.432 350 V N 0.148 120.083 119.914 0.036 0.000 2.490 350 V HA -0.249 3.849 4.120 -0.037 0.000 0.250 350 V C 2.792 178.951 176.094 0.108 0.000 1.061 350 V CA 1.451 63.801 62.300 0.082 0.000 1.064 350 V CB -1.417 30.399 31.823 -0.011 0.000 0.670 350 V HN 0.600 nan 8.190 nan 0.000 0.461 351 A N -1.035 121.751 122.820 -0.056 0.000 1.969 351 A HA -0.247 4.051 4.320 -0.037 0.000 0.218 351 A C 2.248 179.899 177.584 0.111 0.000 1.169 351 A CA 1.744 53.786 52.037 0.009 0.000 0.635 351 A CB -0.408 18.435 19.000 -0.262 0.000 0.810 351 A HN 0.562 nan 8.150 nan 0.000 0.445 352 Q N -0.943 118.886 119.800 0.047 0.000 2.187 352 Q HA -0.057 4.261 4.340 -0.037 0.000 0.199 352 Q C 1.671 177.737 176.000 0.110 0.000 0.957 352 Q CA 0.637 56.475 55.803 0.057 0.000 0.857 352 Q CB -0.068 28.676 28.738 0.009 0.000 0.929 352 Q HN 0.465 nan 8.270 nan 0.000 0.453 353 L N 0.160 121.479 121.223 0.160 0.000 2.083 353 L HA -0.203 4.115 4.340 -0.037 0.000 0.209 353 L C 2.025 179.047 176.870 0.254 0.000 1.083 353 L CA 1.667 56.620 54.840 0.188 0.000 0.752 353 L CB -1.466 40.749 42.059 0.261 0.000 0.899 353 L HN 0.388 nan 8.230 nan 0.000 0.433 354 Y N 0.827 121.248 120.300 0.202 0.000 2.256 354 Y HA -0.316 4.213 4.550 -0.036 0.000 0.288 354 Y C 2.366 178.364 175.900 0.164 0.000 1.155 354 Y CA 1.300 59.547 58.100 0.243 0.000 1.203 354 Y CB 0.211 38.848 38.460 0.295 0.000 0.980 354 Y HN 0.194 nan 8.280 nan 0.000 0.530 355 K N -0.317 120.132 120.400 0.081 0.000 2.217 355 K HA -0.084 4.214 4.320 -0.037 0.000 0.202 355 K C 1.414 178.001 176.600 -0.022 0.000 1.051 355 K CA 1.508 57.775 56.287 -0.033 0.000 0.952 355 K CB 0.106 32.594 32.500 -0.020 0.000 0.736 355 K HN 0.387 nan 8.250 nan 0.000 0.453 356 I N -0.830 119.741 120.570 0.001 0.000 3.132 356 I HA -0.131 4.017 4.170 -0.037 0.000 0.255 356 I C 1.955 178.003 176.117 -0.115 0.000 1.118 356 I CA 0.128 61.407 61.300 -0.035 0.000 1.463 356 I CB -0.106 37.891 38.000 -0.005 0.000 1.356 356 I HN -0.226 nan 8.210 nan 0.000 0.463 357 V N 2.271 122.074 119.914 -0.186 0.000 2.236 357 V HA -0.260 3.837 4.120 -0.037 0.000 0.255 357 V C -0.431 175.415 176.094 -0.413 0.000 1.068 357 V CA 2.587 64.632 62.300 -0.425 0.000 1.044 357 V CB -2.203 29.073 31.823 -0.911 0.000 0.653 357 V HN 0.289 nan 8.190 nan 0.000 0.448 358 P HA -0.134 nan 4.420 nan 0.000 0.215 358 P C 1.254 178.344 177.300 -0.350 0.000 1.153 358 P CA 1.854 64.724 63.100 -0.385 0.000 0.853 358 P CB -0.275 31.128 31.700 -0.496 0.000 0.788 359 N N -0.731 117.827 118.700 -0.236 0.000 2.061 359 N HA -0.132 4.586 4.740 -0.037 0.000 0.193 359 N C 1.622 177.053 175.510 -0.132 0.000 1.030 359 N CA 1.173 54.134 53.050 -0.149 0.000 0.856 359 N CB -0.891 37.549 38.487 -0.078 0.000 1.023 359 N HN -0.092 nan 8.380 nan 0.000 0.424 360 V N 1.204 121.007 119.914 -0.185 0.000 2.407 360 V HA -0.162 3.936 4.120 -0.037 0.000 0.248 360 V C 2.038 177.935 176.094 -0.328 0.000 1.055 360 V CA 1.358 63.497 62.300 -0.268 0.000 1.049 360 V CB -0.518 31.039 31.823 -0.444 0.000 0.662 360 V HN 0.321 nan 8.190 nan 0.000 0.455 361 L N -1.096 119.936 121.223 -0.319 0.000 2.201 361 L HA -0.125 4.193 4.340 -0.037 0.000 0.212 361 L C 2.300 179.058 176.870 -0.187 0.000 1.105 361 L CA 1.099 55.774 54.840 -0.275 0.000 0.775 361 L CB -0.406 41.490 42.059 -0.270 0.000 0.913 361 L HN 0.299 nan 8.230 nan 0.000 0.440 362 L N -0.366 120.749 121.223 -0.180 0.000 2.072 362 L HA -0.174 4.143 4.340 -0.037 0.000 0.205 362 L C 2.648 179.498 176.870 -0.032 0.000 1.079 362 L CA 1.190 55.959 54.840 -0.118 0.000 0.752 362 L CB -0.361 41.621 42.059 -0.128 0.000 0.906 362 L HN 0.265 nan 8.230 nan 0.000 0.436 363 E N 0.022 120.224 120.200 0.004 0.000 2.023 363 E HA -0.349 3.978 4.350 -0.037 0.000 0.196 363 E C 2.168 178.871 176.600 0.170 0.000 1.003 363 E CA 1.759 58.229 56.400 0.117 0.000 0.809 363 E CB -0.166 29.675 29.700 0.235 0.000 0.755 363 E HN 0.462 nan 8.360 nan 0.000 0.449 364 Q N -0.198 119.710 119.800 0.180 0.000 2.197 364 Q HA -0.167 4.151 4.340 -0.037 0.000 0.207 364 Q C 1.118 177.184 176.000 0.110 0.000 0.984 364 Q CA 1.505 57.450 55.803 0.236 0.000 0.869 364 Q CB -0.350 28.438 28.738 0.084 0.000 0.906 364 Q HN 0.572 nan 8.270 nan 0.000 0.426 365 G N -1.229 107.595 108.800 0.041 0.000 2.198 365 G HA2 -0.313 3.625 3.960 -0.037 0.000 0.260 365 G HA3 -0.313 3.625 3.960 -0.037 0.000 0.260 365 G C 0.430 175.337 174.900 0.012 0.000 1.025 365 G CA 0.730 45.843 45.100 0.020 0.000 0.769 365 G HN 0.612 nan 8.290 nan 0.000 0.507 366 A N -0.395 122.426 122.820 0.001 0.000 1.944 366 A HA 0.812 5.109 4.320 -0.037 0.000 0.209 366 A C 1.769 179.344 177.584 -0.015 0.000 1.328 366 A CA 1.457 53.492 52.037 -0.003 0.000 0.693 366 A CB -0.401 18.603 19.000 0.006 0.000 0.994 366 A HN 2.089 nan 8.150 nan 0.000 0.485 367 A N 0.175 122.976 122.820 -0.033 0.000 2.524 367 A HA 0.488 4.786 4.320 -0.037 0.000 0.250 367 A C 1.315 178.885 177.584 -0.023 0.000 1.078 367 A CA 0.427 52.445 52.037 -0.031 0.000 0.761 367 A CB 0.071 19.040 19.000 -0.053 0.000 1.012 367 A HN 1.251 nan 8.150 nan 0.000 0.500 368 A N 2.677 125.497 122.820 0.001 0.000 2.014 368 A HA -0.009 4.289 4.320 -0.037 0.000 0.218 368 A C 1.082 178.686 177.584 0.034 0.000 1.163 368 A CA 1.536 53.584 52.037 0.017 0.000 0.652 368 A CB -0.298 18.717 19.000 0.026 0.000 0.808 368 A HN 0.899 nan 8.150 nan 0.000 0.449 369 N N -0.591 118.135 118.700 0.044 0.000 2.573 369 N HA 0.287 5.005 4.740 -0.037 0.000 0.262 369 N C -2.231 173.276 175.510 -0.006 0.000 1.029 369 N CA -2.096 51.009 53.050 0.092 0.000 0.882 369 N CB 1.694 40.289 38.487 0.181 0.000 1.204 369 N HN -0.071 nan 8.380 nan 0.000 0.519 370 P HA 0.024 nan 4.420 nan 0.000 0.237 370 P C -0.341 176.803 177.300 -0.261 0.000 1.178 370 P CA 0.354 63.227 63.100 -0.380 0.000 0.766 370 P CB 0.051 31.359 31.700 -0.653 0.000 0.876 371 W N 2.300 123.686 121.300 0.143 0.000 2.161 371 W HA 0.300 4.937 4.660 -0.039 0.000 0.344 371 W C -1.776 174.686 176.519 -0.095 0.000 1.262 371 W CA -2.569 54.839 57.345 0.105 0.000 1.270 371 W CB -0.683 28.792 29.460 0.026 0.000 1.126 371 W HN -0.146 nan 8.180 nan 0.000 0.598 372 P HA 0.106 nan 4.420 nan 0.000 0.276 372 P C -0.974 176.071 177.300 -0.425 0.000 1.252 372 P CA -0.327 62.210 63.100 -0.938 0.000 0.802 372 P CB 0.921 31.754 31.700 -1.445 0.000 1.035 373 N N -1.192 117.348 118.700 -0.266 0.000 2.653 373 N HA 0.194 4.912 4.740 -0.037 0.000 0.294 373 N C 0.851 176.367 175.510 0.009 0.000 1.305 373 N CA -1.025 51.992 53.050 -0.055 0.000 0.827 373 N CB -0.112 38.422 38.487 0.078 0.000 1.415 373 N HN 0.023 nan 8.380 nan 0.000 0.546 374 V N -0.039 119.852 119.914 -0.039 0.000 2.439 374 V HA -0.293 3.805 4.120 -0.037 0.000 0.253 374 V C 0.814 176.889 176.094 -0.032 0.000 1.074 374 V CA 2.328 64.558 62.300 -0.117 0.000 1.076 374 V CB -0.775 30.830 31.823 -0.362 0.000 0.664 374 V HN 0.652 nan 8.190 nan 0.000 0.461 375 D N 0.146 120.566 120.400 0.034 0.000 2.219 375 D HA -0.052 4.565 4.640 -0.037 0.000 0.205 375 D C 2.170 178.535 176.300 0.109 0.000 0.970 375 D CA 1.382 55.440 54.000 0.097 0.000 0.851 375 D CB -0.306 40.589 40.800 0.158 0.000 0.943 375 D HN 0.587 nan 8.370 nan 0.000 0.488 376 A N -0.081 122.795 122.820 0.092 0.000 2.070 376 A HA -0.194 4.104 4.320 -0.037 0.000 0.220 376 A C 1.890 179.559 177.584 0.141 0.000 1.159 376 A CA 1.328 53.438 52.037 0.122 0.000 0.656 376 A CB -0.386 18.636 19.000 0.036 0.000 0.800 376 A HN 0.247 nan 8.150 nan 0.000 0.453 377 H N -0.935 118.154 119.070 0.032 0.000 2.827 377 H HA 0.123 4.656 4.556 -0.038 0.000 0.269 377 H C 2.165 177.446 175.328 -0.079 0.000 1.031 377 H CA 1.010 56.994 56.048 -0.105 0.000 1.202 377 H CB 0.411 29.887 29.762 -0.478 0.000 1.511 377 H HN 0.616 nan 8.280 nan 0.000 0.517 378 S N -0.974 114.784 115.700 0.097 0.000 2.357 378 S HA -0.048 4.400 4.470 -0.037 0.000 0.221 378 S C 2.385 176.989 174.600 0.007 0.000 1.031 378 S CA 0.941 59.179 58.200 0.063 0.000 0.982 378 S CB -0.826 62.413 63.200 0.065 0.000 0.853 378 S HN 0.328 nan 8.310 nan 0.000 0.458 379 G N 1.480 110.270 108.800 -0.017 0.000 2.442 379 G HA2 -0.128 3.810 3.960 -0.037 0.000 0.219 379 G HA3 -0.128 3.810 3.960 -0.037 0.000 0.219 379 G C 1.446 176.348 174.900 0.003 0.000 1.141 379 G CA 0.948 45.946 45.100 -0.170 0.000 0.763 379 G HN 0.448 nan 8.290 nan 0.000 0.554 380 V N 1.072 121.048 119.914 0.103 0.000 2.380 380 V HA -0.191 3.907 4.120 -0.037 0.000 0.251 380 V C 2.926 179.106 176.094 0.143 0.000 1.063 380 V CA 1.707 64.093 62.300 0.143 0.000 1.055 380 V CB -0.362 31.542 31.823 0.135 0.000 0.657 380 V HN 0.398 nan 8.190 nan 0.000 0.455 381 L N -1.010 120.280 121.223 0.112 0.000 2.027 381 L HA -0.165 4.153 4.340 -0.037 0.000 0.206 381 L C 2.426 179.423 176.870 0.212 0.000 1.074 381 L CA 1.497 56.409 54.840 0.119 0.000 0.745 381 L CB -0.784 41.291 42.059 0.026 0.000 0.898 381 L HN 0.276 nan 8.230 nan 0.000 0.433 382 L N -0.264 121.005 121.223 0.077 0.000 1.990 382 L HA -0.263 4.055 4.340 -0.037 0.000 0.213 382 L C 2.893 179.888 176.870 0.208 0.000 1.072 382 L CA 1.454 56.348 54.840 0.090 0.000 0.755 382 L CB -0.900 40.984 42.059 -0.293 0.000 0.889 382 L HN 0.405 nan 8.230 nan 0.000 0.432 383 Q N 0.198 120.123 119.800 0.208 0.000 2.096 383 Q HA -0.313 4.005 4.340 -0.037 0.000 0.208 383 Q C 2.254 178.340 176.000 0.142 0.000 0.993 383 Q CA 2.325 58.254 55.803 0.210 0.000 0.862 383 Q CB -0.744 28.134 28.738 0.233 0.000 0.915 383 Q HN 0.570 nan 8.270 nan 0.000 0.416 384 Y N 0.416 120.715 120.300 -0.003 0.000 2.081 384 Y HA -0.292 4.236 4.550 -0.038 0.000 0.280 384 Y C 1.714 177.442 175.900 -0.287 0.000 1.163 384 Y CA 2.306 60.305 58.100 -0.169 0.000 1.135 384 Y CB -0.672 37.604 38.460 -0.307 0.000 0.970 384 Y HN 0.177 nan 8.280 nan 0.000 0.498 385 Y N 0.020 120.448 120.300 0.213 0.000 2.632 385 Y HA 0.164 4.692 4.550 -0.037 0.000 0.301 385 Y C 1.988 177.839 175.900 -0.082 0.000 1.172 385 Y CA 0.750 58.871 58.100 0.036 0.000 1.328 385 Y CB -0.285 38.288 38.460 0.188 0.000 1.016 385 Y HN 0.357 nan 8.280 nan 0.000 0.529 386 G N -0.255 108.572 108.800 0.044 0.000 2.195 386 G HA2 -0.309 3.629 3.960 -0.037 0.000 0.224 386 G HA3 -0.309 3.629 3.960 -0.037 0.000 0.224 386 G C 0.493 175.477 174.900 0.140 0.000 0.990 386 G CA -0.009 45.134 45.100 0.072 0.000 0.639 386 G HN 0.303 nan 8.290 nan 0.000 0.514 387 M N 3.353 123.014 119.600 0.101 0.000 2.974 387 M HA 0.425 4.883 4.480 -0.037 0.000 0.301 387 M C 1.490 177.932 176.300 0.237 0.000 1.409 387 M CA 0.900 56.290 55.300 0.150 0.000 1.515 387 M CB -0.045 32.551 32.600 -0.007 0.000 1.163 387 M HN 0.340 nan 8.290 nan 0.000 0.520 388 T N -0.845 113.790 114.554 0.134 0.000 3.176 388 T HA 0.185 4.512 4.350 -0.037 0.000 0.263 388 T C 0.112 174.770 174.700 -0.070 0.000 1.021 388 T CA -0.516 61.648 62.100 0.106 0.000 0.905 388 T CB -0.078 68.819 68.868 0.049 0.000 1.057 388 T HN 0.637 nan 8.240 nan 0.000 0.558 389 E N 3.008 123.100 120.200 -0.180 0.000 1.932 389 E HA 0.163 4.491 4.350 -0.037 0.000 0.259 389 E C 1.448 177.772 176.600 -0.460 0.000 1.099 389 E CA -0.497 55.655 56.400 -0.414 0.000 0.970 389 E CB 0.253 29.322 29.700 -1.052 0.000 1.143 389 E HN 0.697 nan 8.360 nan 0.000 0.441 390 M N 0.540 119.764 119.600 -0.627 0.000 2.267 390 M HA -0.154 4.304 4.480 -0.037 0.000 0.263 390 M C 0.629 176.642 176.300 -0.478 0.000 1.063 390 M CA 1.509 56.188 55.300 -1.035 0.000 1.090 390 M CB -0.808 31.507 32.600 -0.476 0.000 1.392 390 M HN 0.136 nan 8.290 nan 0.000 0.422 391 N N -0.448 118.142 118.700 -0.183 0.000 2.609 391 N HA -0.124 4.594 4.740 -0.037 0.000 0.190 391 N C 1.138 176.656 175.510 0.013 0.000 1.157 391 N CA 0.692 53.721 53.050 -0.035 0.000 0.918 391 N CB -0.118 38.326 38.487 -0.072 0.000 0.978 391 N HN 0.477 nan 8.380 nan 0.000 0.448 392 Y N -0.219 120.038 120.300 -0.071 0.000 2.481 392 Y HA 0.054 4.585 4.550 -0.032 0.000 0.258 392 Y C 1.350 177.413 175.900 0.270 0.000 1.103 392 Y CA 0.079 58.268 58.100 0.148 0.000 1.287 392 Y CB 0.060 38.716 38.460 0.326 0.000 1.108 392 Y HN -0.020 nan 8.280 nan 0.000 0.529 393 Y N 0.490 120.874 120.300 0.140 0.000 2.151 393 Y HA -0.259 4.267 4.550 -0.039 0.000 0.284 393 Y C 2.515 178.446 175.900 0.051 0.000 1.166 393 Y CA 1.596 59.746 58.100 0.084 0.000 1.163 393 Y CB -1.509 37.039 38.460 0.146 0.000 0.974 393 Y HN 0.101 nan 8.280 nan 0.000 0.511 394 T N -0.525 114.179 114.554 0.248 0.000 2.881 394 T HA -0.102 4.226 4.350 -0.037 0.000 0.270 394 T C 2.262 177.015 174.700 0.088 0.000 1.068 394 T CA 1.095 63.317 62.100 0.202 0.000 1.131 394 T CB -0.622 68.341 68.868 0.157 0.000 0.871 394 T HN 0.130 nan 8.240 nan 0.000 0.479 395 V N 1.448 121.313 119.914 -0.082 0.000 2.343 395 V HA -0.118 3.980 4.120 -0.037 0.000 0.247 395 V C 2.446 178.504 176.094 -0.060 0.000 1.051 395 V CA 1.419 63.612 62.300 -0.179 0.000 1.036 395 V CB -0.606 30.859 31.823 -0.596 0.000 0.654 395 V HN 0.465 nan 8.190 nan 0.000 0.451 396 L N -1.581 119.592 121.223 -0.082 0.000 2.056 396 L HA -0.148 4.170 4.340 -0.037 0.000 0.207 396 L C 2.421 179.413 176.870 0.204 0.000 1.078 396 L CA 1.477 56.310 54.840 -0.012 0.000 0.749 396 L CB -0.605 41.255 42.059 -0.333 0.000 0.901 396 L HN 0.304 nan 8.230 nan 0.000 0.433 397 F N 1.297 121.287 119.950 0.067 0.000 2.095 397 F HA -0.166 4.351 4.527 -0.017 0.000 0.298 397 F C 2.273 178.143 175.800 0.117 0.000 1.104 397 F CA 1.383 59.429 58.000 0.077 0.000 1.232 397 F CB -1.045 37.983 39.000 0.045 0.000 0.987 397 F HN 0.003 nan 8.300 nan 0.000 0.475 398 G N -0.282 108.681 108.800 0.271 0.000 2.440 398 G HA2 -0.217 3.721 3.960 -0.037 0.000 0.218 398 G HA3 -0.217 3.721 3.960 -0.037 0.000 0.218 398 G C 1.847 176.960 174.900 0.355 0.000 1.154 398 G CA 1.317 46.535 45.100 0.197 0.000 0.767 398 G HN 0.332 nan 8.290 nan 0.000 0.552 399 V N 0.770 120.838 119.914 0.257 0.000 2.407 399 V HA -0.174 3.924 4.120 -0.037 0.000 0.248 399 V C 3.001 179.264 176.094 0.282 0.000 1.055 399 V CA 2.173 64.587 62.300 0.190 0.000 1.049 399 V CB -0.392 31.422 31.823 -0.015 0.000 0.662 399 V HN 0.496 nan 8.190 nan 0.000 0.455 400 S N 0.021 115.931 115.700 0.350 0.000 2.355 400 S HA -0.239 4.208 4.470 -0.037 0.000 0.222 400 S C 2.203 177.027 174.600 0.373 0.000 1.031 400 S CA 1.600 60.035 58.200 0.392 0.000 0.993 400 S CB -0.311 63.135 63.200 0.410 0.000 0.859 400 S HN 0.440 nan 8.310 nan 0.000 0.453 401 R N 1.676 122.440 120.500 0.439 0.000 2.159 401 R HA 0.116 4.434 4.340 -0.037 0.000 0.237 401 R C 2.158 178.700 176.300 0.403 0.000 1.131 401 R CA 1.589 57.946 56.100 0.428 0.000 0.982 401 R CB -1.344 29.172 30.300 0.360 0.000 0.868 401 R HN 0.461 nan 8.270 nan 0.000 0.453 402 A N 0.442 123.472 122.820 0.350 0.000 1.948 402 A HA -0.157 4.141 4.320 -0.037 0.000 0.220 402 A C 2.176 179.775 177.584 0.024 0.000 1.177 402 A CA 1.664 53.702 52.037 0.002 0.000 0.636 402 A CB -0.613 18.137 19.000 -0.417 0.000 0.815 402 A HN 0.365 nan 8.150 nan 0.000 0.449 403 L N -1.110 120.172 121.223 0.100 0.000 2.046 403 L HA -0.131 4.187 4.340 -0.037 0.000 0.208 403 L C 2.769 179.810 176.870 0.284 0.000 1.077 403 L CA 1.332 56.277 54.840 0.175 0.000 0.747 403 L CB -0.897 41.279 42.059 0.194 0.000 0.896 403 L HN 0.477 nan 8.230 nan 0.000 0.432 404 G N -0.118 108.854 108.800 0.287 0.000 2.411 404 G HA2 -0.118 3.820 3.960 -0.037 0.000 0.213 404 G HA3 -0.118 3.820 3.960 -0.037 0.000 0.213 404 G C 1.675 176.773 174.900 0.330 0.000 1.166 404 G CA 0.751 46.040 45.100 0.316 0.000 0.802 404 G HN 0.275 nan 8.290 nan 0.000 0.533 405 V N -0.144 119.984 119.914 0.355 0.000 2.407 405 V HA -0.041 4.057 4.120 -0.037 0.000 0.248 405 V C 2.581 178.828 176.094 0.254 0.000 1.055 405 V CA 1.637 64.155 62.300 0.364 0.000 1.049 405 V CB -0.496 31.565 31.823 0.396 0.000 0.662 405 V HN 0.299 nan 8.190 nan 0.000 0.455 406 L N 0.379 121.713 121.223 0.186 0.000 2.131 406 L HA 0.105 4.423 4.340 -0.037 0.000 0.206 406 L C 3.054 180.012 176.870 0.147 0.000 1.087 406 L CA 1.262 56.170 54.840 0.113 0.000 0.767 406 L CB -0.885 41.170 42.059 -0.006 0.000 0.917 406 L HN 0.424 nan 8.230 nan 0.000 0.441 407 A N -0.073 122.865 122.820 0.196 0.000 1.908 407 A HA -0.296 4.002 4.320 -0.037 0.000 0.218 407 A C 2.210 179.861 177.584 0.113 0.000 1.181 407 A CA 2.039 54.132 52.037 0.094 0.000 0.627 407 A CB -0.497 18.487 19.000 -0.027 0.000 0.818 407 A HN 0.394 nan 8.150 nan 0.000 0.445 408 Q N -0.704 119.137 119.800 0.068 0.000 2.046 408 Q HA -0.108 4.210 4.340 -0.037 0.000 0.200 408 Q C 1.838 177.884 176.000 0.076 0.000 0.975 408 Q CA 1.615 57.406 55.803 -0.020 0.000 0.836 408 Q CB -0.581 27.933 28.738 -0.373 0.000 0.896 408 Q HN 0.443 nan 8.270 nan 0.000 0.428 409 L N 0.178 121.461 121.223 0.099 0.000 2.043 409 L HA -0.162 4.156 4.340 -0.037 0.000 0.212 409 L C 2.058 178.936 176.870 0.013 0.000 1.075 409 L CA 1.737 56.622 54.840 0.074 0.000 0.752 409 L CB -0.639 41.456 42.059 0.060 0.000 0.891 409 L HN 0.412 nan 8.230 nan 0.000 0.432 410 I N -2.361 118.212 120.570 0.006 0.000 2.226 410 I HA -0.337 3.811 4.170 -0.037 0.000 0.245 410 I C 2.192 178.201 176.117 -0.180 0.000 1.100 410 I CA 1.720 62.993 61.300 -0.045 0.000 1.374 410 I CB -0.433 37.539 38.000 -0.046 0.000 1.057 410 I HN 0.343 nan 8.210 nan 0.000 0.413 411 W N 0.809 122.032 121.300 -0.128 0.000 2.379 411 W HA -0.160 4.475 4.660 -0.041 0.000 0.307 411 W C 2.956 179.240 176.519 -0.392 0.000 1.200 411 W CA 1.159 58.353 57.345 -0.250 0.000 1.297 411 W CB -0.566 28.739 29.460 -0.258 0.000 1.140 411 W HN -0.055 nan 8.180 nan 0.000 0.507 412 S N 0.215 115.814 115.700 -0.168 0.000 2.372 412 S HA -0.271 4.176 4.470 -0.037 0.000 0.227 412 S C 1.822 176.236 174.600 -0.309 0.000 1.044 412 S CA 1.580 59.514 58.200 -0.445 0.000 1.050 412 S CB -0.368 62.822 63.200 -0.015 0.000 0.901 412 S HN 0.099 nan 8.310 nan 0.000 0.447 413 R N 1.338 121.781 120.500 -0.094 0.000 2.073 413 R HA 0.215 4.533 4.340 -0.037 0.000 0.229 413 R C 2.441 178.783 176.300 0.069 0.000 1.120 413 R CA 1.287 57.416 56.100 0.048 0.000 0.967 413 R CB -1.428 28.910 30.300 0.063 0.000 0.862 413 R HN 0.422 nan 8.270 nan 0.000 0.436 414 A N 0.364 123.158 122.820 -0.044 0.000 1.940 414 A HA -0.098 4.200 4.320 -0.037 0.000 0.219 414 A C 2.057 179.575 177.584 -0.110 0.000 1.176 414 A CA 1.233 53.165 52.037 -0.176 0.000 0.631 414 A CB -0.488 18.120 19.000 -0.654 0.000 0.814 414 A HN 0.264 nan 8.150 nan 0.000 0.446 415 L N -1.026 120.111 121.223 -0.144 0.000 2.591 415 L HA 0.185 4.502 4.340 -0.037 0.000 0.228 415 L C 1.550 178.417 176.870 -0.004 0.000 1.133 415 L CA 0.411 55.183 54.840 -0.113 0.000 0.880 415 L CB -0.302 41.568 42.059 -0.315 0.000 1.033 415 L HN 0.560 nan 8.230 nan 0.000 0.450 416 G N 0.157 108.967 108.800 0.016 0.000 2.273 416 G HA2 -0.297 3.641 3.960 -0.037 0.000 0.280 416 G HA3 -0.297 3.641 3.960 -0.037 0.000 0.280 416 G C 0.023 175.076 174.900 0.255 0.000 1.047 416 G CA -0.386 44.791 45.100 0.128 0.000 0.869 416 G HN 0.093 nan 8.290 nan 0.000 0.502 417 F N 1.244 121.260 119.950 0.109 0.000 2.578 417 F HA 0.307 4.808 4.527 -0.043 0.000 0.376 417 F C -0.188 175.655 175.800 0.072 0.000 1.085 417 F CA -2.209 55.844 58.000 0.089 0.000 1.260 417 F CB -0.075 38.975 39.000 0.082 0.000 1.095 417 F HN 0.098 nan 8.300 nan 0.000 0.573 418 P HA 0.139 nan 4.420 nan 0.000 0.289 418 P C -0.417 176.952 177.300 0.115 0.000 1.299 418 P CA -0.666 62.529 63.100 0.159 0.000 0.766 418 P CB 0.931 32.702 31.700 0.118 0.000 1.226 419 L N 0.238 121.516 121.223 0.092 0.000 2.615 419 L HA -0.054 4.263 4.340 -0.037 0.000 0.284 419 L C 0.666 177.572 176.870 0.060 0.000 1.237 419 L CA 0.587 55.466 54.840 0.066 0.000 0.905 419 L CB -0.526 41.569 42.059 0.060 0.000 1.149 419 L HN 0.368 nan 8.230 nan 0.000 0.499 420 E N 5.749 125.985 120.200 0.059 0.000 2.129 420 E HA 0.202 4.530 4.350 -0.037 0.000 0.283 420 E C -0.666 175.976 176.600 0.069 0.000 1.080 420 E CA -0.474 55.977 56.400 0.085 0.000 0.867 420 E CB 0.348 30.134 29.700 0.143 0.000 1.056 420 E HN 0.406 nan 8.360 nan 0.000 0.404 421 R N 5.546 126.081 120.500 0.059 0.000 3.107 421 R HA 0.235 4.553 4.340 -0.037 0.000 0.251 421 R C -2.568 173.753 176.300 0.035 0.000 1.818 421 R CA -1.234 54.892 56.100 0.042 0.000 1.228 421 R CB 0.490 30.811 30.300 0.035 0.000 1.459 421 R HN 0.603 nan 8.270 nan 0.000 0.520 422 P HA 0.361 nan 4.420 nan 0.000 0.289 422 P C -0.806 176.501 177.300 0.012 0.000 1.299 422 P CA -0.630 62.485 63.100 0.024 0.000 0.766 422 P CB 0.977 32.694 31.700 0.029 0.000 1.226 423 K N 0.031 120.432 120.400 0.003 0.000 2.159 423 K HA 0.462 4.760 4.320 -0.037 0.000 0.266 423 K C -0.114 176.476 176.600 -0.016 0.000 0.975 423 K CA -0.418 55.867 56.287 -0.005 0.000 0.865 423 K CB 0.703 33.199 32.500 -0.006 0.000 1.087 423 K HN 0.614 nan 8.250 nan 0.000 0.446 424 S N 3.036 118.724 115.700 -0.020 0.000 2.747 424 S HA 0.810 5.258 4.470 -0.037 0.000 0.300 424 S C -0.540 174.035 174.600 -0.041 0.000 1.121 424 S CA -0.874 57.304 58.200 -0.036 0.000 0.995 424 S CB 1.122 64.301 63.200 -0.035 0.000 1.113 424 S HN 0.623 nan 8.310 nan 0.000 0.547 425 M N 1.676 121.240 119.600 -0.061 0.000 2.465 425 M HA 0.477 4.935 4.480 -0.037 0.000 0.284 425 M C -0.833 175.424 176.300 -0.071 0.000 1.212 425 M CA -0.105 55.160 55.300 -0.058 0.000 0.910 425 M CB 2.349 34.905 32.600 -0.074 0.000 1.725 425 M HN 1.038 nan 8.290 nan 0.000 0.477 426 S N 0.940 116.614 115.700 -0.043 0.000 2.713 426 S HA 0.481 4.929 4.470 -0.037 0.000 0.283 426 S C 0.628 175.217 174.600 -0.020 0.000 1.161 426 S CA -0.122 58.058 58.200 -0.033 0.000 0.999 426 S CB 1.176 64.371 63.200 -0.008 0.000 1.039 426 S HN 0.781 nan 8.310 nan 0.000 0.548 427 T N 1.375 115.942 114.554 0.022 0.000 2.665 427 T HA -0.152 4.176 4.350 -0.037 0.000 0.268 427 T C 1.222 175.963 174.700 0.068 0.000 1.035 427 T CA 1.961 64.118 62.100 0.094 0.000 1.151 427 T CB -0.692 68.276 68.868 0.165 0.000 0.862 427 T HN 0.661 nan 8.240 nan 0.000 0.438 428 D N 0.583 121.009 120.400 0.043 0.000 2.104 428 D HA -0.065 4.552 4.640 -0.037 0.000 0.194 428 D C 2.389 178.703 176.300 0.025 0.000 0.994 428 D CA 1.410 55.429 54.000 0.032 0.000 0.830 428 D CB -0.703 40.110 40.800 0.022 0.000 0.959 428 D HN 0.478 nan 8.370 nan 0.000 0.452 429 G N 1.188 109.997 108.800 0.015 0.000 2.459 429 G HA2 -0.233 3.705 3.960 -0.037 0.000 0.217 429 G HA3 -0.233 3.705 3.960 -0.037 0.000 0.217 429 G C 1.831 176.737 174.900 0.011 0.000 1.183 429 G CA 0.286 45.391 45.100 0.008 0.000 0.776 429 G HN 0.248 nan 8.290 nan 0.000 0.552 430 L N 0.127 121.357 121.223 0.012 0.000 2.012 430 L HA -0.116 4.202 4.340 -0.037 0.000 0.210 430 L C 2.970 179.865 176.870 0.041 0.000 1.073 430 L CA 1.217 56.070 54.840 0.023 0.000 0.748 430 L CB -0.370 41.710 42.059 0.036 0.000 0.891 430 L HN 0.282 nan 8.230 nan 0.000 0.431 431 I N -0.177 120.425 120.570 0.053 0.000 2.087 431 I HA -0.366 3.782 4.170 -0.037 0.000 0.240 431 I C 2.807 178.942 176.117 0.030 0.000 1.054 431 I CA 1.561 62.889 61.300 0.047 0.000 1.311 431 I CB -0.728 37.300 38.000 0.046 0.000 1.024 431 I HN 0.248 nan 8.210 nan 0.000 0.402 432 A N 0.669 123.503 122.820 0.024 0.000 1.917 432 A HA -0.163 4.135 4.320 -0.037 0.000 0.219 432 A C 1.509 179.101 177.584 0.015 0.000 1.182 432 A CA 1.102 53.149 52.037 0.017 0.000 0.633 432 A CB -0.935 18.073 19.000 0.013 0.000 0.819 432 A HN 0.295 nan 8.150 nan 0.000 0.448 433 L N 0.000 121.232 121.223 0.014 0.000 2.949 433 L HA 0.000 4.318 4.340 -0.037 0.000 0.249 433 L CA 0.000 54.847 54.840 0.012 0.000 0.813 433 L CB 0.000 42.065 42.059 0.010 0.000 0.961 433 L HN 0.000 nan 8.230 nan 0.000 0.502