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 2o7r_1_A DATA FIRST_RESID 18 DATA SEQUENCE LLKYLPIVLN PDRTITRPIQ IPSTAASPDP TSSSPVLTKD LALNPLHNTF DATA SEQUENCE VRLFLPRHAL YNSAKLPLVV YFHGGGFILF SAASTIFHDF CCEMAVHAGV DATA SEQUENCE VIASVDYRLA PEHRLPAAYD DAMEALQWIK DSRDEWLTNF ADFSNCFIMG DATA SEQUENCE ESAGGNIAYH AGLRAAAVAD ELLPLKIKGL VLDEPGFGGS KRTGSELRLA DATA SEQUENCE NDSRLPTFVL DLIWELSLPM GADRDHEYCN PTXXXXPLYS FDKIRSLGWR DATA SEQUENCE VMVVGCHGDP MIDRQMELAE RLEKKGVDVV AQFDVGGYHA VKLEDPEKAK DATA SEQUENCE QFFVILKKFV V 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 18 L HA 0.000 nan 4.340 nan 0.000 0.249 18 L C 0.000 177.011 176.870 0.234 0.000 1.165 18 L CA 0.000 55.060 54.840 0.367 0.000 0.813 18 L CB 0.000 42.216 42.059 0.262 0.000 0.961 19 L N 0.810 122.101 121.223 0.112 0.000 2.349 19 L HA -0.182 4.159 4.340 0.001 0.000 0.220 19 L C 2.070 178.925 176.870 -0.026 0.000 1.130 19 L CA 1.446 56.311 54.840 0.042 0.000 0.791 19 L CB -0.353 41.717 42.059 0.017 0.000 0.918 19 L HN 0.280 nan 8.230 nan 0.000 0.444 20 K N -0.658 119.679 120.400 -0.106 0.000 2.365 20 K HA -0.127 4.194 4.320 0.001 0.000 0.199 20 K C 1.146 177.455 176.600 -0.486 0.000 1.045 20 K CA 1.351 57.428 56.287 -0.351 0.000 0.962 20 K CB 0.062 32.236 32.500 -0.544 0.000 0.759 20 K HN 0.271 nan 8.250 nan 0.000 0.469 21 Y N -1.640 118.681 120.300 0.035 0.000 2.652 21 Y HA 0.387 4.938 4.550 0.001 0.000 0.275 21 Y C 0.051 175.949 175.900 -0.003 0.000 1.133 21 Y CA -0.432 57.665 58.100 -0.005 0.000 1.246 21 Y CB 0.933 39.353 38.460 -0.068 0.000 1.334 21 Y HN -0.244 nan 8.280 nan 0.000 0.493 22 L N 2.342 123.659 121.223 0.158 0.000 2.464 22 L HA 0.406 4.747 4.340 0.001 0.000 0.266 22 L C -2.559 174.348 176.870 0.061 0.000 0.965 22 L CA -1.869 53.030 54.840 0.098 0.000 0.833 22 L CB 2.920 45.026 42.059 0.079 0.000 1.296 22 L HN -0.252 nan 8.230 nan 0.000 0.405 23 P HA 0.174 nan 4.420 nan 0.000 0.218 23 P C -0.811 176.485 177.300 -0.007 0.000 1.793 23 P CA 0.195 63.293 63.100 -0.002 0.000 0.941 23 P CB -0.473 31.203 31.700 -0.040 0.000 1.919 24 I N -2.851 117.730 120.570 0.017 0.000 2.969 24 I HA 0.662 4.833 4.170 0.001 0.000 0.307 24 I C -1.332 174.802 176.117 0.028 0.000 1.149 24 I CA -1.584 59.725 61.300 0.015 0.000 1.008 24 I CB 2.674 40.686 38.000 0.020 0.000 1.232 24 I HN -0.373 nan 8.210 nan 0.000 0.435 25 V N 4.625 124.551 119.914 0.020 0.000 2.495 25 V HA 0.427 4.548 4.120 0.001 0.000 0.298 25 V C 0.054 176.163 176.094 0.024 0.000 1.031 25 V CA -0.610 61.705 62.300 0.025 0.000 0.871 25 V CB 1.715 33.547 31.823 0.015 0.000 0.988 25 V HN 0.520 nan 8.190 nan 0.000 0.432 26 L N 4.717 125.960 121.223 0.033 0.000 2.290 26 L HA 0.443 4.784 4.340 0.001 0.000 0.284 26 L C 0.178 177.060 176.870 0.020 0.000 1.078 26 L CA -0.025 54.833 54.840 0.029 0.000 0.815 26 L CB 0.386 42.470 42.059 0.041 0.000 1.162 26 L HN 0.667 nan 8.230 nan 0.000 0.435 27 N N 4.069 122.776 118.700 0.013 0.000 2.466 27 N HA 0.337 5.078 4.740 0.001 0.000 0.294 27 N C -2.079 173.436 175.510 0.008 0.000 1.129 27 N CA -1.377 51.678 53.050 0.008 0.000 0.931 27 N CB 1.217 39.706 38.487 0.003 0.000 1.193 27 N HN 0.440 nan 8.380 nan 0.000 0.500 28 P HA 0.064 nan 4.420 nan 0.000 0.254 28 P C -1.034 176.268 177.300 0.003 0.000 1.631 28 P CA 0.454 63.558 63.100 0.005 0.000 0.861 28 P CB -0.237 31.465 31.700 0.005 0.000 1.663 29 D N -1.770 118.631 120.400 0.002 0.000 2.651 29 D HA 0.086 4.726 4.640 0.001 0.000 0.280 29 D C 0.719 177.017 176.300 -0.003 0.000 1.496 29 D CA -0.651 53.348 54.000 -0.001 0.000 0.792 29 D CB -0.114 40.684 40.800 -0.003 0.000 1.144 29 D HN -0.106 nan 8.370 nan 0.000 0.470 30 R N -0.860 119.640 120.500 0.000 0.000 3.922 30 R HA -0.148 4.193 4.340 0.001 0.000 0.447 30 R C 0.111 176.408 176.300 -0.005 0.000 1.035 30 R CA 1.530 57.630 56.100 -0.000 0.000 1.289 30 R CB -2.715 27.583 30.300 -0.003 0.000 1.906 30 R HN 0.567 nan 8.270 nan 0.000 0.540 31 T N -0.950 113.600 114.554 -0.007 0.000 2.936 31 T HA 0.757 5.107 4.350 0.001 0.000 0.282 31 T C 0.643 175.340 174.700 -0.004 0.000 1.003 31 T CA -0.723 61.369 62.100 -0.012 0.000 1.005 31 T CB 1.905 70.763 68.868 -0.017 0.000 1.097 31 T HN 0.335 nan 8.240 nan 0.000 0.532 32 I N -2.008 118.558 120.570 -0.006 0.000 2.957 32 I HA 0.783 4.954 4.170 0.001 0.000 0.310 32 I C -0.872 175.242 176.117 -0.004 0.000 1.063 32 I CA -0.972 60.328 61.300 0.001 0.000 1.033 32 I CB 2.443 40.446 38.000 0.006 0.000 1.230 32 I HN 0.553 nan 8.210 nan 0.000 0.447 33 T N 2.192 116.746 114.554 -0.001 0.000 2.863 33 T HA 0.510 4.860 4.350 0.001 0.000 0.285 33 T C -0.351 174.344 174.700 -0.009 0.000 1.009 33 T CA -0.665 61.431 62.100 -0.006 0.000 0.989 33 T CB 1.466 70.331 68.868 -0.004 0.000 1.004 33 T HN 0.539 nan 8.240 nan 0.000 0.455 34 R N 2.928 123.418 120.500 -0.017 0.000 2.575 34 R HA 0.259 4.600 4.340 0.001 0.000 0.281 34 R C -1.702 174.579 176.300 -0.032 0.000 1.272 34 R CA -1.484 54.598 56.100 -0.029 0.000 1.417 34 R CB 0.692 30.968 30.300 -0.041 0.000 1.121 34 R HN 0.428 nan 8.270 nan 0.000 0.583 35 P HA 0.085 nan 4.420 nan 0.000 0.255 35 P C -0.086 177.196 177.300 -0.029 0.000 1.248 35 P CA 0.430 63.516 63.100 -0.023 0.000 0.807 35 P CB 0.636 32.327 31.700 -0.014 0.000 1.150 36 I N 0.527 121.072 120.570 -0.041 0.000 2.389 36 I HA 0.242 4.413 4.170 0.001 0.000 0.288 36 I C 0.423 176.500 176.117 -0.067 0.000 0.999 36 I CA -0.919 60.353 61.300 -0.046 0.000 1.129 36 I CB 2.028 40.001 38.000 -0.045 0.000 1.288 36 I HN -0.182 nan 8.210 nan 0.000 0.444 37 Q N 6.093 125.859 119.800 -0.056 0.000 2.297 37 Q HA 0.333 4.674 4.340 0.001 0.000 0.267 37 Q C -0.796 175.152 176.000 -0.086 0.000 1.006 37 Q CA -0.135 55.629 55.803 -0.065 0.000 0.896 37 Q CB 0.881 29.592 28.738 -0.044 0.000 1.186 37 Q HN 0.557 nan 8.270 nan 0.000 0.392 38 I N 7.432 127.924 120.570 -0.130 0.000 2.325 38 I HA 0.225 4.396 4.170 0.001 0.000 0.291 38 I C -1.899 174.178 176.117 -0.067 0.000 1.019 38 I CA -2.241 58.963 61.300 -0.160 0.000 1.302 38 I CB 1.152 38.925 38.000 -0.379 0.000 1.401 38 I HN 0.548 nan 8.210 nan 0.000 0.485 39 P HA 0.037 nan 4.420 nan 0.000 0.266 39 P C -0.783 176.537 177.300 0.033 0.000 1.195 39 P CA -0.029 63.075 63.100 0.007 0.000 0.768 39 P CB 0.531 32.243 31.700 0.021 0.000 0.838 40 S N 0.409 116.119 115.700 0.016 0.000 2.634 40 S HA 0.745 5.216 4.470 0.001 0.000 0.296 40 S C -0.683 173.901 174.600 -0.026 0.000 1.104 40 S CA -0.686 57.529 58.200 0.025 0.000 0.920 40 S CB 1.437 64.653 63.200 0.027 0.000 1.111 40 S HN 0.269 nan 8.310 nan 0.000 0.493 41 T N 1.661 116.167 114.554 -0.080 0.000 2.829 41 T HA 0.748 5.099 4.350 0.001 0.000 0.280 41 T C 0.149 174.724 174.700 -0.208 0.000 0.999 41 T CA -0.376 61.594 62.100 -0.216 0.000 0.983 41 T CB 1.344 69.910 68.868 -0.504 0.000 0.968 41 T HN 1.052 nan 8.240 nan 0.000 0.446 42 A N 2.345 125.074 122.820 -0.152 0.000 2.386 42 A HA 0.717 5.038 4.320 0.001 0.000 0.248 42 A C 0.786 178.307 177.584 -0.105 0.000 1.082 42 A CA -0.534 51.437 52.037 -0.110 0.000 0.789 42 A CB -0.115 18.839 19.000 -0.076 0.000 1.025 42 A HN 1.088 nan 8.150 nan 0.000 0.490 43 A N 1.011 123.788 122.820 -0.072 0.000 2.425 43 A HA 0.492 4.813 4.320 0.001 0.000 0.242 43 A C 0.634 178.215 177.584 -0.005 0.000 1.077 43 A CA 0.621 52.639 52.037 -0.032 0.000 0.781 43 A CB 0.150 19.109 19.000 -0.069 0.000 1.020 43 A HN 1.455 nan 8.150 nan 0.000 0.494 44 S N 1.954 117.680 115.700 0.043 0.000 2.389 44 S HA 0.512 4.983 4.470 0.001 0.000 0.201 44 S C -2.060 172.602 174.600 0.104 0.000 1.422 44 S CA -0.956 57.277 58.200 0.056 0.000 1.216 44 S CB 0.967 64.203 63.200 0.061 0.000 1.130 44 S HN 0.581 nan 8.310 nan 0.000 0.465 45 P HA 0.134 nan 4.420 nan 0.000 0.245 45 P C -0.105 177.307 177.300 0.187 0.000 1.206 45 P CA 0.175 63.432 63.100 0.263 0.000 0.781 45 P CB 0.072 31.898 31.700 0.210 0.000 0.994 46 D N 1.632 122.082 120.400 0.084 0.000 2.280 46 D HA 0.127 4.767 4.640 0.001 0.000 0.243 46 D C -1.475 174.820 176.300 -0.008 0.000 1.129 46 D CA -2.410 51.612 54.000 0.038 0.000 0.848 46 D CB 1.581 42.401 40.800 0.032 0.000 1.107 46 D HN 0.004 nan 8.370 nan 0.000 0.471 47 P HA -0.052 nan 4.420 nan 0.000 0.242 47 P C 0.942 178.227 177.300 -0.025 0.000 1.197 47 P CA 0.642 63.699 63.100 -0.071 0.000 0.765 47 P CB -0.036 31.588 31.700 -0.127 0.000 0.936 48 T N -3.648 110.901 114.554 -0.007 0.000 3.088 48 T HA 0.017 4.368 4.350 0.001 0.000 0.259 48 T C 1.144 175.848 174.700 0.008 0.000 1.122 48 T CA 0.132 62.236 62.100 0.006 0.000 1.095 48 T CB -0.762 68.111 68.868 0.009 0.000 0.930 48 T HN 0.217 nan 8.240 nan 0.000 0.508 49 S N 1.889 117.592 115.700 0.006 0.000 2.598 49 S HA 0.160 4.630 4.470 0.001 0.000 0.256 49 S C 1.610 176.216 174.600 0.010 0.000 1.350 49 S CA -0.027 58.179 58.200 0.010 0.000 0.984 49 S CB 0.847 64.055 63.200 0.013 0.000 0.930 49 S HN 0.505 nan 8.310 nan 0.000 0.577 50 S N 0.419 116.128 115.700 0.014 0.000 2.496 50 S HA 0.085 4.556 4.470 0.001 0.000 0.224 50 S C 0.690 175.300 174.600 0.016 0.000 0.996 50 S CA -0.031 58.179 58.200 0.016 0.000 0.927 50 S CB -0.752 62.459 63.200 0.017 0.000 0.774 50 S HN 0.645 nan 8.310 nan 0.000 0.524 51 S N 4.460 120.170 115.700 0.017 0.000 2.563 51 S HA 0.122 4.593 4.470 0.001 0.000 0.294 51 S C -1.337 173.261 174.600 -0.003 0.000 1.279 51 S CA -0.614 57.599 58.200 0.021 0.000 1.069 51 S CB 0.631 63.851 63.200 0.033 0.000 0.828 51 S HN 0.420 nan 8.310 nan 0.000 0.497 52 P HA 0.064 nan 4.420 nan 0.000 0.237 52 P C -0.263 176.982 177.300 -0.092 0.000 1.178 52 P CA 0.545 63.623 63.100 -0.036 0.000 0.766 52 P CB 0.086 31.765 31.700 -0.035 0.000 0.876 53 V N 0.821 120.693 119.914 -0.069 0.000 2.638 53 V HA 0.271 4.392 4.120 0.001 0.000 0.306 53 V C 0.119 176.177 176.094 -0.061 0.000 1.052 53 V CA -0.893 61.351 62.300 -0.094 0.000 0.885 53 V CB 2.566 34.368 31.823 -0.035 0.000 0.999 53 V HN -0.141 nan 8.190 nan 0.000 0.424 54 L N 4.194 125.331 121.223 -0.143 0.000 2.334 54 L HA 0.770 5.110 4.340 0.001 0.000 0.277 54 L C 0.321 177.238 176.870 0.078 0.000 1.075 54 L CA -0.122 54.665 54.840 -0.087 0.000 0.804 54 L CB 1.794 43.643 42.059 -0.350 0.000 1.174 54 L HN 0.856 nan 8.230 nan 0.000 0.438 55 T N -0.104 114.572 114.554 0.203 0.000 2.909 55 T HA 0.663 5.014 4.350 0.001 0.000 0.299 55 T C -0.890 173.851 174.700 0.069 0.000 1.073 55 T CA -1.039 61.105 62.100 0.072 0.000 0.999 55 T CB 2.423 71.187 68.868 -0.174 0.000 1.098 55 T HN 0.730 nan 8.240 nan 0.000 0.477 56 K N 0.672 120.967 120.400 -0.175 0.000 2.532 56 K HA 0.684 5.005 4.320 0.001 0.000 0.265 56 K C -1.986 174.479 176.600 -0.225 0.000 0.948 56 K CA -0.935 55.179 56.287 -0.289 0.000 0.842 56 K CB 1.933 34.078 32.500 -0.592 0.000 1.392 56 K HN 0.390 nan 8.250 nan 0.000 0.436 57 D N 2.007 122.304 120.400 -0.172 0.000 2.185 57 D HA 0.440 5.080 4.640 0.001 0.000 0.247 57 D C -0.689 175.569 176.300 -0.071 0.000 1.027 57 D CA -0.313 53.635 54.000 -0.086 0.000 0.861 57 D CB 1.597 42.246 40.800 -0.251 0.000 1.202 57 D HN 0.408 nan 8.370 nan 0.000 0.453 58 L N 1.329 122.580 121.223 0.047 0.000 2.381 58 L HA 0.560 4.901 4.340 0.001 0.000 0.274 58 L C 0.287 177.202 176.870 0.075 0.000 0.988 58 L CA -1.156 53.737 54.840 0.089 0.000 0.824 58 L CB 1.885 44.109 42.059 0.276 0.000 1.263 58 L HN 0.334 nan 8.230 nan 0.000 0.410 59 A N 2.137 124.993 122.820 0.061 0.000 2.498 59 A HA 0.252 4.573 4.320 0.001 0.000 0.239 59 A C 0.361 177.916 177.584 -0.049 0.000 1.068 59 A CA 0.022 52.083 52.037 0.040 0.000 0.766 59 A CB 0.574 19.595 19.000 0.035 0.000 1.003 59 A HN 0.726 nan 8.150 nan 0.000 0.497 60 L N 1.658 122.787 121.223 -0.156 0.000 2.416 60 L HA 0.361 4.701 4.340 0.001 0.000 0.188 60 L C 0.378 177.159 176.870 -0.150 0.000 1.145 60 L CA 1.208 55.822 54.840 -0.378 0.000 0.826 60 L CB -0.118 41.650 42.059 -0.486 0.000 1.064 60 L HN 0.759 nan 8.230 nan 0.000 0.490 61 N N -0.270 118.374 118.700 -0.094 0.000 2.519 61 N HA 0.303 5.043 4.740 0.001 0.000 0.286 61 N C -2.362 173.123 175.510 -0.042 0.000 1.079 61 N CA -2.030 50.965 53.050 -0.092 0.000 0.878 61 N CB 1.885 40.248 38.487 -0.206 0.000 1.375 61 N HN 0.010 nan 8.380 nan 0.000 0.514 62 P HA -0.062 nan 4.420 nan 0.000 0.221 62 P C 1.407 178.722 177.300 0.025 0.000 1.150 62 P CA 0.684 63.791 63.100 0.012 0.000 0.800 62 P CB 0.771 32.478 31.700 0.012 0.000 0.787 63 L N -1.084 120.135 121.223 -0.007 0.000 2.201 63 L HA -0.094 4.247 4.340 0.001 0.000 0.212 63 L C 2.334 179.316 176.870 0.186 0.000 1.105 63 L CA 1.283 56.152 54.840 0.047 0.000 0.775 63 L CB -0.890 41.170 42.059 0.000 0.000 0.913 63 L HN 0.145 nan 8.230 nan 0.000 0.440 64 H N -1.963 117.089 119.070 -0.029 0.000 2.586 64 H HA 0.086 4.643 4.556 0.001 0.000 0.273 64 H C 0.382 175.676 175.328 -0.057 0.000 0.997 64 H CA -0.337 55.660 56.048 -0.084 0.000 1.177 64 H CB 0.430 30.132 29.762 -0.101 0.000 1.471 64 H HN 0.180 nan 8.280 nan 0.000 0.538 65 N N 2.151 120.917 118.700 0.109 0.000 2.710 65 N HA -0.153 4.588 4.740 0.001 0.000 0.249 65 N C -0.550 175.031 175.510 0.119 0.000 1.059 65 N CA 1.028 54.136 53.050 0.097 0.000 0.720 65 N CB -0.904 37.638 38.487 0.091 0.000 0.983 65 N HN 0.505 nan 8.380 nan 0.000 0.544 66 T N -1.908 112.699 114.554 0.088 0.000 2.934 66 T HA 0.695 5.045 4.350 0.001 0.000 0.283 66 T C 0.129 174.876 174.700 0.077 0.000 1.005 66 T CA -0.481 61.639 62.100 0.033 0.000 1.041 66 T CB 1.588 70.451 68.868 -0.008 0.000 1.042 66 T HN 0.375 nan 8.240 nan 0.000 0.505 67 F N -1.200 118.685 119.950 -0.109 0.000 2.685 67 F HA 0.808 5.336 4.527 0.001 0.000 0.315 67 F C -1.965 173.723 175.800 -0.186 0.000 1.126 67 F CA -1.611 56.288 58.000 -0.168 0.000 0.950 67 F CB 1.029 39.966 39.000 -0.105 0.000 1.360 67 F HN 0.473 nan 8.300 nan 0.000 0.469 68 V N 1.820 121.705 119.914 -0.048 0.000 2.540 68 V HA 0.541 4.662 4.120 0.001 0.000 0.302 68 V C -0.639 175.558 176.094 0.173 0.000 1.035 68 V CA -0.783 61.458 62.300 -0.098 0.000 0.873 68 V CB 1.704 33.362 31.823 -0.275 0.000 0.992 68 V HN 0.859 nan 8.190 nan 0.000 0.428 69 R N 4.740 125.350 120.500 0.184 0.000 2.229 69 R HA 0.623 4.964 4.340 0.001 0.000 0.328 69 R C -1.121 175.232 176.300 0.088 0.000 1.009 69 R CA -0.505 55.681 56.100 0.143 0.000 0.864 69 R CB 0.716 31.123 30.300 0.179 0.000 1.085 69 R HN 0.695 nan 8.270 nan 0.000 0.453 70 L N 5.372 126.595 121.223 0.000 0.000 2.334 70 L HA 0.425 4.766 4.340 0.001 0.000 0.277 70 L C -0.689 176.186 176.870 0.009 0.000 1.075 70 L CA -0.483 54.443 54.840 0.144 0.000 0.804 70 L CB 0.916 43.096 42.059 0.202 0.000 1.174 70 L HN 0.591 nan 8.230 nan 0.000 0.438 71 F N 3.681 123.737 119.950 0.177 0.000 2.449 71 F HA 0.439 4.967 4.527 0.001 0.000 0.342 71 F C -0.298 175.512 175.800 0.017 0.000 1.127 71 F CA -0.673 57.373 58.000 0.077 0.000 0.975 71 F CB 1.844 40.813 39.000 -0.052 0.000 1.146 71 F HN 0.195 nan 8.300 nan 0.000 0.444 72 L N 7.439 128.680 121.223 0.029 0.000 2.345 72 L HA 0.611 4.952 4.340 0.001 0.000 0.274 72 L C -2.548 174.110 176.870 -0.354 0.000 0.999 72 L CA -2.533 52.155 54.840 -0.253 0.000 0.849 72 L CB 1.080 42.748 42.059 -0.650 0.000 1.220 72 L HN 0.166 nan 8.230 nan 0.000 0.422 73 P HA 0.060 nan 4.420 nan 0.000 0.268 73 P C 0.200 177.166 177.300 -0.556 0.000 1.205 73 P CA -0.129 62.663 63.100 -0.513 0.000 0.771 73 P CB 0.778 32.006 31.700 -0.787 0.000 0.858 74 R N 3.152 123.417 120.500 -0.392 0.000 2.120 74 R HA -0.218 4.123 4.340 0.001 0.000 0.234 74 R C 2.123 178.314 176.300 -0.182 0.000 1.123 74 R CA 1.936 57.876 56.100 -0.268 0.000 0.975 74 R CB -0.836 29.420 30.300 -0.073 0.000 0.866 74 R HN 0.619 nan 8.270 nan 0.000 0.446 75 H N -1.063 118.004 119.070 -0.006 0.000 2.457 75 H HA 0.084 4.640 4.556 0.001 0.000 0.297 75 H C 1.670 177.030 175.328 0.053 0.000 1.092 75 H CA 1.118 57.241 56.048 0.125 0.000 1.309 75 H CB -0.460 29.333 29.762 0.051 0.000 1.382 75 H HN 0.311 nan 8.280 nan 0.000 0.535 76 A N 1.227 124.016 122.820 -0.051 0.000 2.067 76 A HA 0.035 4.356 4.320 0.001 0.000 0.219 76 A C 2.093 179.667 177.584 -0.016 0.000 1.158 76 A CA 1.105 53.154 52.037 0.019 0.000 0.661 76 A CB -0.698 18.243 19.000 -0.099 0.000 0.801 76 A HN 0.482 nan 8.150 nan 0.000 0.452 77 L N -2.085 118.949 121.223 -0.314 0.000 2.599 77 L HA 0.013 4.354 4.340 0.001 0.000 0.230 77 L C 0.845 177.434 176.870 -0.468 0.000 1.141 77 L CA 0.359 54.950 54.840 -0.415 0.000 0.877 77 L CB -0.237 41.395 42.059 -0.710 0.000 1.009 77 L HN 0.446 nan 8.230 nan 0.000 0.447 78 Y N -0.240 120.092 120.300 0.054 0.000 2.607 78 Y HA 0.215 4.765 4.550 0.001 0.000 0.266 78 Y C 0.431 176.358 175.900 0.045 0.000 1.178 78 Y CA -1.232 56.892 58.100 0.040 0.000 1.226 78 Y CB -0.329 38.147 38.460 0.026 0.000 1.144 78 Y HN 0.346 nan 8.280 nan 0.000 0.528 79 N N -2.880 115.903 118.700 0.139 0.000 3.039 79 N HA 0.335 5.076 4.740 0.001 0.000 0.257 79 N C -0.399 175.146 175.510 0.059 0.000 1.497 79 N CA -0.813 52.295 53.050 0.095 0.000 0.861 79 N CB 0.878 39.420 38.487 0.093 0.000 1.479 79 N HN -0.247 nan 8.380 nan 0.000 0.547 80 S N -1.442 114.271 115.700 0.022 0.000 2.602 80 S HA 0.535 5.006 4.470 0.001 0.000 0.240 80 S C -0.109 174.473 174.600 -0.030 0.000 0.992 80 S CA -0.375 57.806 58.200 -0.031 0.000 0.971 80 S CB -0.315 62.859 63.200 -0.044 0.000 0.855 80 S HN 0.814 nan 8.310 nan 0.000 0.481 81 A N 1.941 124.770 122.820 0.015 0.000 2.310 81 A HA 0.558 4.878 4.320 0.001 0.000 0.299 81 A C 0.117 177.729 177.584 0.047 0.000 1.147 81 A CA -0.444 51.608 52.037 0.026 0.000 0.818 81 A CB 0.542 19.567 19.000 0.041 0.000 1.096 81 A HN 0.316 nan 8.150 nan 0.000 0.495 82 K N 1.355 121.781 120.400 0.043 0.000 2.118 82 K HA 0.583 4.904 4.320 0.001 0.000 0.267 82 K C -0.848 175.818 176.600 0.110 0.000 0.991 82 K CA -0.200 56.137 56.287 0.084 0.000 0.916 82 K CB 1.139 33.684 32.500 0.075 0.000 1.041 82 K HN 0.614 nan 8.250 nan 0.000 0.455 83 L N 2.899 124.207 121.223 0.142 0.000 2.334 83 L HA 0.439 4.780 4.340 0.001 0.000 0.272 83 L C -2.233 174.718 176.870 0.135 0.000 1.020 83 L CA -2.615 52.300 54.840 0.124 0.000 0.812 83 L CB 1.266 43.395 42.059 0.117 0.000 1.264 83 L HN 0.337 nan 8.230 nan 0.000 0.439 84 P HA 0.023 nan 4.420 nan 0.000 0.268 84 P C -0.929 176.475 177.300 0.172 0.000 1.208 84 P CA -0.231 62.981 63.100 0.188 0.000 0.777 84 P CB 0.513 32.357 31.700 0.240 0.000 0.875 85 L N 4.109 125.438 121.223 0.177 0.000 2.272 85 L HA 0.400 4.740 4.340 0.001 0.000 0.289 85 L C -1.069 175.909 176.870 0.180 0.000 1.032 85 L CA -0.340 54.572 54.840 0.119 0.000 0.810 85 L CB 1.221 43.270 42.059 -0.016 0.000 1.205 85 L HN 0.027 nan 8.230 nan 0.000 0.422 86 V N 6.217 126.231 119.914 0.166 0.000 2.357 86 V HA 0.370 4.491 4.120 0.001 0.000 0.284 86 V C -0.240 175.948 176.094 0.157 0.000 1.018 86 V CA -0.722 61.700 62.300 0.204 0.000 0.841 86 V CB 1.678 33.607 31.823 0.176 0.000 0.991 86 V HN 0.516 nan 8.190 nan 0.000 0.437 87 V N 6.312 126.310 119.914 0.141 0.000 2.389 87 V HA 0.293 4.413 4.120 0.001 0.000 0.264 87 V C -0.525 175.576 176.094 0.011 0.000 1.049 87 V CA -0.383 61.951 62.300 0.057 0.000 0.932 87 V CB 0.523 32.388 31.823 0.071 0.000 1.011 87 V HN 0.758 nan 8.190 nan 0.000 0.475 88 Y N 5.841 125.969 120.300 -0.286 0.000 2.429 88 Y HA 0.723 5.274 4.550 0.001 0.000 0.342 88 Y C -1.052 174.486 175.900 -0.603 0.000 1.004 88 Y CA -1.509 56.453 58.100 -0.230 0.000 1.075 88 Y CB 1.773 40.196 38.460 -0.061 0.000 1.214 88 Y HN 0.506 nan 8.280 nan 0.000 0.455 89 F N 4.943 124.483 119.950 -0.682 0.000 2.507 89 F HA 0.306 4.833 4.527 0.001 0.000 0.328 89 F C -0.199 175.087 175.800 -0.857 0.000 1.136 89 F CA -0.961 56.734 58.000 -0.508 0.000 0.930 89 F CB 0.791 39.562 39.000 -0.381 0.000 1.166 89 F HN 0.663 nan 8.300 nan 0.000 0.436 90 H N 0.653 119.464 119.070 -0.431 0.000 2.745 90 H HA 0.616 5.172 4.556 0.001 0.000 0.373 90 H C 0.480 175.435 175.328 -0.622 0.000 1.226 90 H CA -0.451 55.089 56.048 -0.847 0.000 1.435 90 H CB 0.381 29.491 29.762 -1.087 0.000 1.461 90 H HN 0.689 nan 8.280 nan 0.000 0.616 91 G N -1.471 106.918 108.800 -0.686 0.000 2.525 91 G HA2 0.453 4.413 3.960 0.001 0.000 0.287 91 G HA3 0.453 4.413 3.960 0.001 0.000 0.287 91 G C 0.456 175.302 174.900 -0.090 0.000 1.350 91 G CA -0.943 43.990 45.100 -0.278 0.000 1.039 91 G HN 1.540 nan 8.290 nan 0.000 0.513 92 G N -2.935 105.834 108.800 -0.051 0.000 2.157 92 G HA2 0.387 4.348 3.960 0.001 0.000 0.114 92 G HA3 0.387 4.348 3.960 0.001 0.000 0.114 92 G C 1.079 176.013 174.900 0.057 0.000 1.041 92 G CA 0.713 45.927 45.100 0.190 0.000 0.714 92 G HN 2.392 nan 8.290 nan 0.000 0.492 93 G N -0.644 108.032 108.800 -0.206 0.000 2.168 93 G HA2 -0.111 3.850 3.960 0.001 0.000 0.257 93 G HA3 -0.111 3.850 3.960 0.001 0.000 0.257 93 G C 0.961 175.768 174.900 -0.155 0.000 0.997 93 G CA 0.919 45.853 45.100 -0.276 0.000 0.708 93 G HN 1.828 nan 8.290 nan 0.000 0.520 94 F N -2.890 117.028 119.950 -0.052 0.000 2.778 94 F HA -0.347 4.181 4.527 0.001 0.000 0.399 94 F C 1.907 177.741 175.800 0.057 0.000 0.604 94 F CA 2.108 60.104 58.000 -0.006 0.000 1.106 94 F CB -1.784 37.136 39.000 -0.133 0.000 1.643 94 F HN 0.657 nan 8.300 nan 0.000 0.290 95 I N -3.388 117.291 120.570 0.181 0.000 4.227 95 I HA 0.480 4.650 4.170 0.001 0.000 0.334 95 I C 0.374 176.557 176.117 0.111 0.000 1.341 95 I CA 0.015 61.390 61.300 0.126 0.000 1.123 95 I CB 0.629 38.673 38.000 0.074 0.000 1.097 95 I HN 0.010 nan 8.210 nan 0.000 0.399 96 L N 0.268 121.595 121.223 0.173 0.000 2.491 96 L HA 0.645 4.986 4.340 0.001 0.000 0.254 96 L C -1.204 175.868 176.870 0.337 0.000 1.048 96 L CA -0.858 54.069 54.840 0.144 0.000 0.855 96 L CB 2.036 44.163 42.059 0.113 0.000 1.466 96 L HN 0.026 nan 8.230 nan 0.000 0.409 97 F N -0.864 119.083 119.950 -0.006 0.000 2.183 97 F HA -0.161 4.367 4.527 0.001 0.000 0.318 97 F C 0.036 175.548 175.800 -0.479 0.000 1.269 97 F CA 0.846 58.759 58.000 -0.145 0.000 0.912 97 F CB -0.758 38.210 39.000 -0.054 0.000 4.135 97 F HN 0.560 nan 8.300 nan 0.000 0.137 98 S N -0.283 115.176 115.700 -0.402 0.000 2.627 98 S HA 0.789 5.259 4.470 0.001 0.000 0.283 98 S C 0.364 174.688 174.600 -0.460 0.000 1.127 98 S CA -0.197 57.725 58.200 -0.464 0.000 0.863 98 S CB 1.863 65.036 63.200 -0.046 0.000 1.121 98 S HN 1.496 nan 8.310 nan 0.000 0.479 99 A N 1.788 124.476 122.820 -0.220 0.000 2.024 99 A HA 0.158 4.478 4.320 0.001 0.000 0.220 99 A C 1.855 179.625 177.584 0.310 0.000 1.164 99 A CA 1.960 54.048 52.037 0.085 0.000 0.643 99 A CB -1.007 17.989 19.000 -0.006 0.000 0.806 99 A HN 1.284 nan 8.150 nan 0.000 0.451 100 A N -0.677 122.326 122.820 0.305 0.000 2.275 100 A HA 0.427 4.748 4.320 0.001 0.000 0.212 100 A C 1.009 178.748 177.584 0.258 0.000 1.201 100 A CA 0.177 52.412 52.037 0.331 0.000 0.843 100 A CB -0.260 18.914 19.000 0.290 0.000 0.873 100 A HN 0.280 nan 8.150 nan 0.000 0.492 101 S N 0.682 116.543 115.700 0.269 0.000 2.549 101 S HA 0.128 4.599 4.470 0.001 0.000 0.286 101 S C 1.445 176.234 174.600 0.316 0.000 1.314 101 S CA 0.282 58.660 58.200 0.296 0.000 1.062 101 S CB 0.980 64.482 63.200 0.504 0.000 0.865 101 S HN 0.523 nan 8.310 nan 0.000 0.498 102 T N 3.450 118.128 114.554 0.207 0.000 2.699 102 T HA -0.178 4.172 4.350 0.001 0.000 0.268 102 T C 1.849 176.663 174.700 0.190 0.000 1.036 102 T CA 1.839 64.046 62.100 0.178 0.000 1.147 102 T CB -0.567 68.359 68.868 0.097 0.000 0.862 102 T HN 0.798 nan 8.240 nan 0.000 0.446 103 I N -1.775 118.859 120.570 0.106 0.000 2.315 103 I HA -0.061 4.110 4.170 0.001 0.000 0.248 103 I C 1.957 177.965 176.117 -0.181 0.000 1.117 103 I CA 1.631 62.877 61.300 -0.089 0.000 1.404 103 I CB -0.617 37.233 38.000 -0.250 0.000 1.071 103 I HN 0.043 nan 8.210 nan 0.000 0.419 104 F N 0.904 120.959 119.950 0.174 0.000 2.270 104 F HA -0.035 4.493 4.527 0.001 0.000 0.295 104 F C 2.699 178.622 175.800 0.203 0.000 1.087 104 F CA 1.442 59.548 58.000 0.177 0.000 1.365 104 F CB -0.988 38.122 39.000 0.183 0.000 1.056 104 F HN 0.177 nan 8.300 nan 0.000 0.506 105 H N 0.627 119.910 119.070 0.355 0.000 2.319 105 H HA -0.167 4.390 4.556 0.001 0.000 0.299 105 H C 1.322 176.796 175.328 0.242 0.000 1.092 105 H CA 2.183 58.468 56.048 0.395 0.000 1.302 105 H CB -0.167 29.807 29.762 0.354 0.000 1.373 105 H HN 0.126 nan 8.280 nan 0.000 0.497 106 D N -0.066 120.516 120.400 0.304 0.000 2.144 106 D HA -0.130 4.510 4.640 0.001 0.000 0.200 106 D C 2.120 178.463 176.300 0.072 0.000 0.978 106 D CA 0.599 54.709 54.000 0.182 0.000 0.833 106 D CB -0.752 40.156 40.800 0.180 0.000 0.961 106 D HN 0.326 nan 8.370 nan 0.000 0.470 107 F N 1.024 120.952 119.950 -0.037 0.000 2.134 107 F HA -0.233 4.295 4.527 0.001 0.000 0.299 107 F C 2.288 177.977 175.800 -0.184 0.000 1.097 107 F CA 1.150 59.132 58.000 -0.029 0.000 1.264 107 F CB -0.175 38.810 39.000 -0.025 0.000 1.001 107 F HN -0.023 nan 8.300 nan 0.000 0.479 108 C N -0.565 118.568 119.300 -0.278 0.000 2.425 108 C HA -0.179 4.282 4.460 0.001 0.000 0.277 108 C C 3.076 177.623 174.990 -0.739 0.000 1.280 108 C CA 1.027 59.566 59.018 -0.800 0.000 1.744 108 C CB -1.709 25.075 27.740 -1.593 0.000 1.989 108 C HN 0.710 nan 8.230 nan 0.000 0.491 109 C N 0.371 119.387 119.300 -0.472 0.000 2.429 109 C HA -0.090 4.370 4.460 0.001 0.000 0.277 109 C C 2.668 177.476 174.990 -0.304 0.000 1.262 109 C CA 0.905 59.779 59.018 -0.240 0.000 1.733 109 C CB -1.157 26.525 27.740 -0.096 0.000 2.010 109 C HN 0.587 nan 8.230 nan 0.000 0.483 110 E N 0.341 120.352 120.200 -0.315 0.000 2.085 110 E HA -0.251 4.100 4.350 0.001 0.000 0.194 110 E C 1.968 178.065 176.600 -0.838 0.000 0.994 110 E CA 1.248 57.443 56.400 -0.343 0.000 0.801 110 E CB -0.615 29.009 29.700 -0.128 0.000 0.743 110 E HN 0.748 nan 8.360 nan 0.000 0.453 111 M N 0.470 119.379 119.600 -1.151 0.000 2.132 111 M HA -0.122 4.359 4.480 0.001 0.000 0.263 111 M C 2.211 178.088 176.300 -0.705 0.000 1.065 111 M CA 1.801 56.287 55.300 -1.356 0.000 1.122 111 M CB -0.058 32.058 32.600 -0.807 0.000 1.365 111 M HN 0.072 nan 8.290 nan 0.000 0.411 112 A N -0.180 122.342 122.820 -0.496 0.000 1.883 112 A HA -0.150 4.171 4.320 0.001 0.000 0.217 112 A C 2.057 179.475 177.584 -0.277 0.000 1.186 112 A CA 2.210 54.061 52.037 -0.309 0.000 0.624 112 A CB -1.265 17.601 19.000 -0.224 0.000 0.822 112 A HN 0.432 nan 8.150 nan 0.000 0.444 113 V N -0.558 119.146 119.914 -0.350 0.000 2.270 113 V HA -0.201 3.919 4.120 0.001 0.000 0.245 113 V C 2.329 178.211 176.094 -0.354 0.000 1.043 113 V CA 2.041 64.150 62.300 -0.317 0.000 1.014 113 V CB -0.923 30.583 31.823 -0.528 0.000 0.645 113 V HN 0.679 nan 8.190 nan 0.000 0.447 114 H N -0.788 118.106 119.070 -0.294 0.000 2.562 114 H HA 0.313 4.869 4.556 0.001 0.000 0.267 114 H C 2.024 177.219 175.328 -0.222 0.000 0.959 114 H CA 1.092 56.994 56.048 -0.244 0.000 1.204 114 H CB 0.322 29.945 29.762 -0.233 0.000 1.430 114 H HN 0.463 nan 8.280 nan 0.000 0.545 115 A N 0.121 122.807 122.820 -0.224 0.000 2.252 115 A HA 0.364 4.684 4.320 0.001 0.000 0.213 115 A C 1.549 179.070 177.584 -0.105 0.000 1.188 115 A CA 0.594 52.541 52.037 -0.151 0.000 0.863 115 A CB 0.074 18.963 19.000 -0.184 0.000 0.893 115 A HN 0.356 nan 8.150 nan 0.000 0.495 116 G N -0.183 108.574 108.800 -0.072 0.000 2.368 116 G HA2 0.057 4.018 3.960 0.001 0.000 0.290 116 G HA3 0.057 4.018 3.960 0.001 0.000 0.290 116 G C -0.039 174.871 174.900 0.017 0.000 1.098 116 G CA 0.448 45.568 45.100 0.034 0.000 1.073 116 G HN 1.785 nan 8.290 nan 0.000 0.511 117 V N -3.036 116.861 119.914 -0.028 0.000 3.007 117 V HA 0.887 5.008 4.120 0.001 0.000 0.311 117 V C 0.347 176.438 176.094 -0.005 0.000 1.120 117 V CA -1.406 60.889 62.300 -0.009 0.000 0.980 117 V CB 2.265 34.069 31.823 -0.032 0.000 1.033 117 V HN 0.630 nan 8.190 nan 0.000 0.429 118 V N 3.935 123.882 119.914 0.055 0.000 2.509 118 V HA 0.513 4.633 4.120 0.001 0.000 0.284 118 V C 0.028 176.192 176.094 0.116 0.000 1.047 118 V CA -0.137 62.217 62.300 0.091 0.000 0.952 118 V CB 1.251 33.161 31.823 0.146 0.000 0.988 118 V HN 0.750 nan 8.190 nan 0.000 0.469 119 I N 3.559 124.229 120.570 0.167 0.000 2.474 119 I HA 0.688 4.859 4.170 0.001 0.000 0.294 119 I C 0.127 176.420 176.117 0.294 0.000 1.005 119 I CA -0.648 60.755 61.300 0.172 0.000 1.113 119 I CB 1.951 39.960 38.000 0.014 0.000 1.289 119 I HN 0.633 nan 8.210 nan 0.000 0.436 120 A N 4.177 127.127 122.820 0.217 0.000 2.316 120 A HA 0.557 4.877 4.320 0.001 0.000 0.324 120 A C -0.325 177.342 177.584 0.138 0.000 1.375 120 A CA -0.379 51.785 52.037 0.212 0.000 0.882 120 A CB 0.928 20.035 19.000 0.180 0.000 1.152 120 A HN 0.593 nan 8.150 nan 0.000 0.512 121 S N 2.324 118.159 115.700 0.224 0.000 2.438 121 S HA 0.513 4.984 4.470 0.001 0.000 0.293 121 S C -0.283 174.307 174.600 -0.017 0.000 1.141 121 S CA -0.354 57.954 58.200 0.179 0.000 1.080 121 S CB 0.411 63.871 63.200 0.434 0.000 0.978 121 S HN 0.606 nan 8.310 nan 0.000 0.479 122 V N 5.015 124.800 119.914 -0.216 0.000 2.407 122 V HA 0.271 4.392 4.120 0.001 0.000 0.278 122 V C 0.085 176.085 176.094 -0.156 0.000 1.037 122 V CA -0.704 61.463 62.300 -0.221 0.000 0.900 122 V CB 1.452 33.143 31.823 -0.220 0.000 0.983 122 V HN 0.889 nan 8.190 nan 0.000 0.459 123 D N 4.036 124.176 120.400 -0.432 0.000 2.494 123 D HA 0.314 4.954 4.640 0.001 0.000 0.217 123 D C -0.206 175.933 176.300 -0.268 0.000 1.153 123 D CA -0.293 53.386 54.000 -0.536 0.000 0.954 123 D CB 0.043 40.037 40.800 -1.344 0.000 1.034 123 D HN 0.522 nan 8.370 nan 0.000 0.518 124 Y N 0.276 120.538 120.300 -0.063 0.000 2.298 124 Y HA 0.497 5.048 4.550 0.001 0.000 0.329 124 Y C 0.729 176.609 175.900 -0.033 0.000 1.293 124 Y CA -1.307 56.771 58.100 -0.036 0.000 1.388 124 Y CB 0.506 38.965 38.460 -0.001 0.000 1.309 124 Y HN -0.043 nan 8.280 nan 0.000 0.544 125 R N 1.312 121.886 120.500 0.125 0.000 2.643 125 R HA 0.366 4.707 4.340 0.001 0.000 0.270 125 R C -0.867 175.543 176.300 0.184 0.000 1.061 125 R CA -0.331 55.779 56.100 0.017 0.000 1.107 125 R CB 0.329 30.468 30.300 -0.267 0.000 0.999 125 R HN 0.668 nan 8.270 nan 0.000 0.460 126 L N 1.787 123.124 121.223 0.190 0.000 2.334 126 L HA 0.509 4.850 4.340 0.001 0.000 0.275 126 L C 0.327 177.300 176.870 0.171 0.000 1.036 126 L CA -0.883 54.072 54.840 0.193 0.000 0.807 126 L CB 1.748 43.882 42.059 0.126 0.000 1.231 126 L HN 0.672 nan 8.230 nan 0.000 0.438 127 A N 3.304 126.199 122.820 0.124 0.000 2.287 127 A HA 0.526 4.847 4.320 0.001 0.000 0.273 127 A C -1.826 175.775 177.584 0.029 0.000 1.091 127 A CA -1.205 50.859 52.037 0.045 0.000 0.817 127 A CB 0.080 19.093 19.000 0.022 0.000 1.069 127 A HN 0.622 nan 8.150 nan 0.000 0.492 128 P HA 0.038 nan 4.420 nan 0.000 0.249 128 P C 0.348 177.588 177.300 -0.101 0.000 1.229 128 P CA 0.577 63.651 63.100 -0.042 0.000 0.788 128 P CB 0.336 32.017 31.700 -0.033 0.000 1.072 129 E N -0.131 119.979 120.200 -0.148 0.000 2.110 129 E HA -0.146 4.204 4.350 0.001 0.000 0.193 129 E C 0.092 176.325 176.600 -0.612 0.000 0.988 129 E CA 1.300 57.484 56.400 -0.359 0.000 0.804 129 E CB -0.645 28.824 29.700 -0.384 0.000 0.745 129 E HN 0.561 nan 8.360 nan 0.000 0.458 130 H N -0.512 118.531 119.070 -0.044 0.000 2.716 130 H HA 0.346 4.902 4.556 0.001 0.000 0.260 130 H C -0.617 174.651 175.328 -0.099 0.000 1.280 130 H CA -0.574 55.428 56.048 -0.077 0.000 1.506 130 H CB 0.658 30.365 29.762 -0.092 0.000 1.514 130 H HN -0.129 nan 8.280 nan 0.000 0.502 131 R N 1.251 121.727 120.500 -0.040 0.000 2.774 131 R HA 0.190 4.531 4.340 0.001 0.000 0.269 131 R C -0.003 176.188 176.300 -0.181 0.000 1.068 131 R CA -0.583 55.457 56.100 -0.099 0.000 1.180 131 R CB 0.755 31.007 30.300 -0.080 0.000 1.077 131 R HN 0.403 nan 8.270 nan 0.000 0.513 132 L N 3.161 124.189 121.223 -0.324 0.000 2.514 132 L HA 0.021 4.361 4.340 0.001 0.000 0.280 132 L C -1.303 175.401 176.870 -0.276 0.000 1.223 132 L CA -0.867 53.637 54.840 -0.559 0.000 0.864 132 L CB 0.291 41.890 42.059 -0.766 0.000 1.118 132 L HN 0.491 nan 8.230 nan 0.000 0.494 133 P HA 0.094 nan 4.420 nan 0.000 0.254 133 P C 0.745 177.782 177.300 -0.438 0.000 1.494 133 P CA 0.064 62.785 63.100 -0.633 0.000 0.961 133 P CB 0.587 32.152 31.700 -0.225 0.000 1.493 134 A N 1.553 124.185 122.820 -0.313 0.000 1.892 134 A HA -0.178 4.142 4.320 0.001 0.000 0.218 134 A C 2.357 179.802 177.584 -0.231 0.000 1.188 134 A CA 2.325 54.232 52.037 -0.216 0.000 0.631 134 A CB -1.426 17.487 19.000 -0.144 0.000 0.822 134 A HN 0.289 nan 8.150 nan 0.000 0.447 135 A N -1.507 121.108 122.820 -0.342 0.000 1.930 135 A HA -0.010 4.311 4.320 0.001 0.000 0.217 135 A C 2.047 179.474 177.584 -0.262 0.000 1.175 135 A CA 1.559 53.416 52.037 -0.301 0.000 0.627 135 A CB -0.724 17.997 19.000 -0.465 0.000 0.815 135 A HN 0.593 nan 8.150 nan 0.000 0.443 136 Y N 0.767 120.898 120.300 -0.283 0.000 2.242 136 Y HA -0.129 4.422 4.550 0.001 0.000 0.291 136 Y C 2.101 177.916 175.900 -0.142 0.000 1.137 136 Y CA 0.639 58.584 58.100 -0.260 0.000 1.181 136 Y CB -0.873 37.419 38.460 -0.280 0.000 0.989 136 Y HN 0.300 nan 8.280 nan 0.000 0.527 137 D N 0.067 120.495 120.400 0.048 0.000 2.117 137 D HA -0.151 4.489 4.640 0.001 0.000 0.197 137 D C 1.592 177.944 176.300 0.086 0.000 0.987 137 D CA 1.463 55.503 54.000 0.066 0.000 0.829 137 D CB -0.296 40.537 40.800 0.055 0.000 0.961 137 D HN 0.334 nan 8.370 nan 0.000 0.460 138 D N 0.468 120.908 120.400 0.067 0.000 2.178 138 D HA -0.072 4.569 4.640 0.001 0.000 0.202 138 D C 2.011 178.404 176.300 0.155 0.000 0.974 138 D CA 0.975 55.047 54.000 0.121 0.000 0.841 138 D CB -0.175 40.703 40.800 0.129 0.000 0.953 138 D HN 0.128 nan 8.370 nan 0.000 0.478 139 A N 1.043 123.933 122.820 0.116 0.000 1.877 139 A HA -0.176 4.145 4.320 0.001 0.000 0.216 139 A C 2.122 179.817 177.584 0.185 0.000 1.186 139 A CA 1.389 53.531 52.037 0.176 0.000 0.620 139 A CB -0.348 18.498 19.000 -0.257 0.000 0.822 139 A HN 0.073 nan 8.150 nan 0.000 0.443 140 M N -0.258 119.411 119.600 0.116 0.000 2.175 140 M HA -0.076 4.404 4.480 0.001 0.000 0.264 140 M C 1.846 178.232 176.300 0.144 0.000 1.063 140 M CA 1.145 56.519 55.300 0.124 0.000 1.119 140 M CB -1.553 31.106 32.600 0.098 0.000 1.377 140 M HN 0.525 nan 8.290 nan 0.000 0.415 141 E N 0.300 120.582 120.200 0.136 0.000 2.077 141 E HA -0.145 4.205 4.350 0.001 0.000 0.193 141 E C 2.080 178.785 176.600 0.175 0.000 0.989 141 E CA 1.358 57.840 56.400 0.137 0.000 0.800 141 E CB -0.119 29.640 29.700 0.097 0.000 0.746 141 E HN 0.505 nan 8.360 nan 0.000 0.452 142 A N 1.162 124.077 122.820 0.159 0.000 1.933 142 A HA -0.152 4.168 4.320 0.001 0.000 0.218 142 A C 2.190 179.953 177.584 0.298 0.000 1.175 142 A CA 0.993 53.135 52.037 0.174 0.000 0.628 142 A CB -0.568 18.510 19.000 0.131 0.000 0.814 142 A HN 0.122 nan 8.150 nan 0.000 0.444 143 L N -0.729 120.639 121.223 0.241 0.000 2.046 143 L HA -0.218 4.123 4.340 0.001 0.000 0.208 143 L C 2.855 179.853 176.870 0.213 0.000 1.077 143 L CA 1.176 56.140 54.840 0.206 0.000 0.747 143 L CB -0.564 41.593 42.059 0.164 0.000 0.896 143 L HN 0.393 nan 8.230 nan 0.000 0.432 144 Q N -1.000 118.928 119.800 0.214 0.000 2.124 144 Q HA -0.256 4.085 4.340 0.001 0.000 0.202 144 Q C 1.942 178.090 176.000 0.247 0.000 0.977 144 Q CA 1.844 57.765 55.803 0.197 0.000 0.850 144 Q CB -0.410 28.427 28.738 0.166 0.000 0.901 144 Q HN 0.662 nan 8.270 nan 0.000 0.429 145 W N 1.025 122.372 121.300 0.079 0.000 2.409 145 W HA -0.043 4.618 4.660 0.001 0.000 0.299 145 W C 1.762 178.339 176.519 0.098 0.000 1.203 145 W CA 0.700 58.092 57.345 0.078 0.000 1.298 145 W CB -0.175 29.326 29.460 0.069 0.000 1.127 145 W HN -0.022 nan 8.180 nan 0.000 0.528 146 I N 1.662 122.444 120.570 0.353 0.000 2.252 146 I HA -0.340 3.831 4.170 0.001 0.000 0.245 146 I C 2.652 178.838 176.117 0.114 0.000 1.102 146 I CA 2.051 63.418 61.300 0.112 0.000 1.385 146 I CB -0.682 37.405 38.000 0.145 0.000 1.064 146 I HN 0.043 nan 8.210 nan 0.000 0.414 147 K N 0.548 121.044 120.400 0.161 0.000 2.103 147 K HA -0.231 4.090 4.320 0.001 0.000 0.207 147 K C 1.088 177.799 176.600 0.185 0.000 1.048 147 K CA 2.057 58.488 56.287 0.241 0.000 0.930 147 K CB -0.171 32.429 32.500 0.165 0.000 0.716 147 K HN 0.207 nan 8.250 nan 0.000 0.444 148 D N 0.825 121.259 120.400 0.057 0.000 2.339 148 D HA 0.018 4.659 4.640 0.001 0.000 0.217 148 D C -0.007 176.223 176.300 -0.116 0.000 1.050 148 D CA 0.241 54.227 54.000 -0.023 0.000 0.856 148 D CB 0.448 41.231 40.800 -0.028 0.000 0.922 148 D HN 0.172 nan 8.370 nan 0.000 0.518 149 S N 0.590 116.191 115.700 -0.164 0.000 2.549 149 S HA 0.110 4.581 4.470 0.001 0.000 0.279 149 S C 0.975 175.484 174.600 -0.152 0.000 1.321 149 S CA -0.327 57.691 58.200 -0.303 0.000 1.054 149 S CB 0.571 63.471 63.200 -0.499 0.000 0.899 149 S HN -0.033 nan 8.310 nan 0.000 0.497 150 R N 2.744 123.151 120.500 -0.155 0.000 2.507 150 R HA 0.180 4.521 4.340 0.001 0.000 0.298 150 R C -0.270 175.995 176.300 -0.057 0.000 0.999 150 R CA -0.302 55.740 56.100 -0.097 0.000 1.082 150 R CB -1.120 29.131 30.300 -0.081 0.000 1.246 150 R HN 0.698 nan 8.270 nan 0.000 0.553 151 D N 1.161 121.518 120.400 -0.072 0.000 2.506 151 D HA -0.077 4.563 4.640 0.001 0.000 0.234 151 D C 0.602 176.956 176.300 0.091 0.000 1.143 151 D CA 0.427 54.420 54.000 -0.012 0.000 0.871 151 D CB 1.052 41.836 40.800 -0.027 0.000 1.190 151 D HN -0.033 nan 8.370 nan 0.000 0.459 152 E N 2.157 122.439 120.200 0.137 0.000 2.216 152 E HA -0.031 4.320 4.350 0.001 0.000 0.192 152 E C 1.198 178.076 176.600 0.463 0.000 0.988 152 E CA 0.692 57.236 56.400 0.240 0.000 0.834 152 E CB -0.076 29.773 29.700 0.248 0.000 0.772 152 E HN 0.628 nan 8.360 nan 0.000 0.479 153 W N 0.703 122.113 121.300 0.185 0.000 2.379 153 W HA 0.037 4.698 4.660 0.001 0.000 0.307 153 W C 1.832 178.546 176.519 0.325 0.000 1.200 153 W CA 0.457 57.969 57.345 0.279 0.000 1.297 153 W CB -1.079 28.450 29.460 0.115 0.000 1.140 153 W HN 0.064 nan 8.180 nan 0.000 0.507 154 L N 0.048 121.559 121.223 0.481 0.000 2.017 154 L HA -0.237 4.104 4.340 0.001 0.000 0.208 154 L C 2.655 179.757 176.870 0.386 0.000 1.073 154 L CA 2.311 57.421 54.840 0.449 0.000 0.745 154 L CB -1.736 40.576 42.059 0.423 0.000 0.894 154 L HN 0.093 nan 8.230 nan 0.000 0.432 155 T N -3.402 111.275 114.554 0.205 0.000 2.821 155 T HA -0.100 4.250 4.350 0.001 0.000 0.267 155 T C 1.643 176.337 174.700 -0.009 0.000 1.046 155 T CA 1.264 63.372 62.100 0.014 0.000 1.139 155 T CB -0.248 68.585 68.868 -0.059 0.000 0.871 155 T HN 0.208 nan 8.240 nan 0.000 0.454 156 N N -0.016 118.688 118.700 0.007 0.000 2.392 156 N HA 0.234 4.975 4.740 0.001 0.000 0.177 156 N C 0.470 175.623 175.510 -0.594 0.000 1.066 156 N CA 0.506 53.354 53.050 -0.336 0.000 0.895 156 N CB 0.105 38.280 38.487 -0.520 0.000 0.988 156 N HN 0.504 nan 8.380 nan 0.000 0.457 157 F N -0.416 119.577 119.950 0.072 0.000 2.831 157 F HA 0.450 4.978 4.527 0.001 0.000 0.334 157 F C 0.591 176.450 175.800 0.098 0.000 1.071 157 F CA -0.523 57.505 58.000 0.047 0.000 1.172 157 F CB 0.352 39.344 39.000 -0.013 0.000 1.054 157 F HN -0.202 nan 8.300 nan 0.000 0.572 158 A N 0.295 123.312 122.820 0.329 0.000 2.305 158 A HA 0.477 4.797 4.320 0.001 0.000 0.322 158 A C -0.928 176.855 177.584 0.332 0.000 1.187 158 A CA -0.353 51.868 52.037 0.306 0.000 0.825 158 A CB 0.346 19.536 19.000 0.317 0.000 1.164 158 A HN 0.023 nan 8.150 nan 0.000 0.498 159 D N 2.392 122.939 120.400 0.246 0.000 2.393 159 D HA 0.274 4.915 4.640 0.001 0.000 0.232 159 D C 0.160 176.623 176.300 0.271 0.000 1.192 159 D CA -0.345 53.795 54.000 0.234 0.000 0.882 159 D CB -0.176 40.715 40.800 0.151 0.000 1.038 159 D HN 0.328 nan 8.370 nan 0.000 0.499 160 F N 1.465 121.438 119.950 0.039 0.000 2.333 160 F HA -0.107 4.421 4.527 0.001 0.000 0.300 160 F C 2.502 178.305 175.800 0.005 0.000 1.083 160 F CA 0.586 58.603 58.000 0.027 0.000 1.395 160 F CB -0.240 38.772 39.000 0.020 0.000 1.056 160 F HN 0.313 nan 8.300 nan 0.000 0.529 161 S N -0.848 114.963 115.700 0.185 0.000 2.561 161 S HA -0.033 4.438 4.470 0.001 0.000 0.225 161 S C 0.301 174.909 174.600 0.014 0.000 0.977 161 S CA 0.331 58.582 58.200 0.085 0.000 0.926 161 S CB -0.484 62.760 63.200 0.074 0.000 0.769 161 S HN 0.342 nan 8.310 nan 0.000 0.533 162 N N 0.477 119.183 118.700 0.011 0.000 2.750 162 N HA 0.294 5.035 4.740 0.001 0.000 0.253 162 N C -1.437 174.017 175.510 -0.093 0.000 1.408 162 N CA -0.169 52.855 53.050 -0.043 0.000 0.780 162 N CB 1.256 39.806 38.487 0.106 0.000 1.191 162 N HN 0.113 nan 8.380 nan 0.000 0.511 163 C N 2.031 121.133 119.300 -0.329 0.000 2.376 163 C HA 0.662 5.123 4.460 0.001 0.000 0.335 163 C C -1.059 173.559 174.990 -0.621 0.000 1.229 163 C CA -0.517 58.337 59.018 -0.273 0.000 1.867 163 C CB -0.497 27.110 27.740 -0.222 0.000 2.319 163 C HN 0.496 nan 8.230 nan 0.000 0.515 164 F N 4.923 124.842 119.950 -0.051 0.000 2.551 164 F HA 0.630 5.158 4.527 0.001 0.000 0.316 164 F C 0.231 176.040 175.800 0.016 0.000 1.089 164 F CA -0.665 57.322 58.000 -0.021 0.000 0.915 164 F CB 1.324 40.375 39.000 0.085 0.000 1.186 164 F HN 0.326 nan 8.300 nan 0.000 0.456 165 I N 4.229 124.881 120.570 0.136 0.000 2.336 165 I HA 0.481 4.651 4.170 0.001 0.000 0.292 165 I C -0.466 175.808 176.117 0.261 0.000 0.991 165 I CA -0.354 61.060 61.300 0.190 0.000 1.227 165 I CB 1.578 39.648 38.000 0.117 0.000 1.366 165 I HN 0.592 nan 8.210 nan 0.000 0.466 166 M N 5.309 125.092 119.600 0.305 0.000 2.550 166 M HA 0.807 5.288 4.480 0.001 0.000 0.292 166 M C -1.065 175.345 176.300 0.183 0.000 1.221 166 M CA -0.270 55.200 55.300 0.283 0.000 0.873 166 M CB 2.709 35.544 32.600 0.393 0.000 1.727 166 M HN 0.659 nan 8.290 nan 0.000 0.459 167 G N 1.692 110.530 108.800 0.064 0.000 2.646 167 G HA2 0.413 4.374 3.960 0.001 0.000 0.291 167 G HA3 0.413 4.374 3.960 0.001 0.000 0.291 167 G C -2.382 172.420 174.900 -0.164 0.000 1.445 167 G CA -0.439 44.545 45.100 -0.194 0.000 0.814 167 G HN 0.633 nan 8.290 nan 0.000 0.495 168 E N 0.650 120.688 120.200 -0.269 0.000 2.171 168 E HA 0.584 4.935 4.350 0.001 0.000 0.271 168 E C 0.687 177.169 176.600 -0.197 0.000 0.916 168 E CA 0.367 56.656 56.400 -0.185 0.000 0.774 168 E CB 1.826 31.462 29.700 -0.106 0.000 1.128 168 E HN 0.854 nan 8.360 nan 0.000 0.403 169 S N 3.429 119.042 115.700 -0.146 0.000 4.116 169 S HA -0.395 4.076 4.470 0.001 0.000 0.623 169 S C 1.466 175.898 174.600 -0.281 0.000 1.933 169 S CA 1.975 60.125 58.200 -0.083 0.000 4.224 169 S CB -1.589 61.649 63.200 0.063 0.000 0.208 169 S HN 0.954 nan 8.310 nan 0.000 0.527 170 A N 0.973 123.504 122.820 -0.481 0.000 1.940 170 A HA 0.109 4.430 4.320 0.001 0.000 0.219 170 A C 2.547 179.766 177.584 -0.608 0.000 1.176 170 A CA 2.577 54.048 52.037 -0.944 0.000 0.631 170 A CB -1.634 16.437 19.000 -1.549 0.000 0.814 170 A HN 1.740 nan 8.150 nan 0.000 0.446 171 G N -0.943 107.589 108.800 -0.446 0.000 2.471 171 G HA2 0.088 4.049 3.960 0.001 0.000 0.219 171 G HA3 0.088 4.049 3.960 0.001 0.000 0.219 171 G C 1.369 176.137 174.900 -0.221 0.000 1.125 171 G CA 1.147 46.040 45.100 -0.345 0.000 0.775 171 G HN 0.694 nan 8.290 nan 0.000 0.548 172 G N 0.667 109.347 108.800 -0.199 0.000 2.430 172 G HA2 -0.205 3.755 3.960 0.001 0.000 0.216 172 G HA3 -0.205 3.755 3.960 0.001 0.000 0.216 172 G C 1.667 176.536 174.900 -0.053 0.000 1.146 172 G CA 0.922 45.962 45.100 -0.101 0.000 0.793 172 G HN 0.442 nan 8.290 nan 0.000 0.537 173 N N 1.223 119.850 118.700 -0.122 0.000 2.084 173 N HA -0.095 4.646 4.740 0.001 0.000 0.190 173 N C 2.277 177.997 175.510 0.349 0.000 1.030 173 N CA 1.163 54.285 53.050 0.120 0.000 0.849 173 N CB -0.265 38.367 38.487 0.242 0.000 1.012 173 N HN 0.374 nan 8.380 nan 0.000 0.423 174 I N 1.269 121.929 120.570 0.150 0.000 2.163 174 I HA -0.247 3.924 4.170 0.001 0.000 0.243 174 I C 2.567 178.544 176.117 -0.232 0.000 1.085 174 I CA 1.294 62.579 61.300 -0.025 0.000 1.347 174 I CB -0.448 37.249 38.000 -0.504 0.000 1.044 174 I HN 0.140 nan 8.210 nan 0.000 0.408 175 A N 0.110 122.799 122.820 -0.219 0.000 1.908 175 A HA -0.291 4.029 4.320 0.001 0.000 0.218 175 A C 2.315 179.931 177.584 0.054 0.000 1.181 175 A CA 1.776 53.766 52.037 -0.079 0.000 0.627 175 A CB -1.050 18.012 19.000 0.104 0.000 0.818 175 A HN 0.560 nan 8.150 nan 0.000 0.445 176 Y N 0.105 120.407 120.300 0.002 0.000 2.163 176 Y HA -0.233 4.318 4.550 0.001 0.000 0.288 176 Y C 2.504 178.341 175.900 -0.106 0.000 1.136 176 Y CA 2.151 60.263 58.100 0.019 0.000 1.147 176 Y CB -0.503 38.030 38.460 0.122 0.000 0.987 176 Y HN 0.488 nan 8.280 nan 0.000 0.509 177 H N -0.467 118.494 119.070 -0.182 0.000 2.387 177 H HA -0.066 4.490 4.556 0.001 0.000 0.299 177 H C 2.330 177.439 175.328 -0.364 0.000 1.090 177 H CA 1.231 56.988 56.048 -0.484 0.000 1.332 177 H CB -0.521 28.634 29.762 -1.012 0.000 1.386 177 H HN 0.515 nan 8.280 nan 0.000 0.516 178 A N 0.870 123.590 122.820 -0.167 0.000 1.933 178 A HA -0.106 4.215 4.320 0.001 0.000 0.218 178 A C 2.819 180.403 177.584 0.000 0.000 1.175 178 A CA 1.554 53.536 52.037 -0.091 0.000 0.628 178 A CB -1.074 17.846 19.000 -0.133 0.000 0.814 178 A HN 0.462 nan 8.150 nan 0.000 0.444 179 G N 0.020 108.826 108.800 0.009 0.000 2.421 179 G HA2 -0.161 3.800 3.960 0.001 0.000 0.216 179 G HA3 -0.161 3.800 3.960 0.001 0.000 0.216 179 G C 1.536 176.552 174.900 0.193 0.000 1.171 179 G CA 1.035 46.243 45.100 0.181 0.000 0.775 179 G HN 0.450 nan 8.290 nan 0.000 0.543 180 L N -0.272 120.908 121.223 -0.072 0.000 2.042 180 L HA -0.078 4.263 4.340 0.001 0.000 0.210 180 L C 3.134 179.995 176.870 -0.014 0.000 1.076 180 L CA 1.215 56.002 54.840 -0.089 0.000 0.749 180 L CB -0.435 41.481 42.059 -0.238 0.000 0.893 180 L HN 0.145 nan 8.230 nan 0.000 0.432 181 R N 0.054 120.551 120.500 -0.005 0.000 2.092 181 R HA -0.057 4.284 4.340 0.001 0.000 0.231 181 R C 2.479 178.826 176.300 0.078 0.000 1.119 181 R CA 1.169 57.287 56.100 0.030 0.000 0.970 181 R CB -0.411 29.903 30.300 0.023 0.000 0.864 181 R HN 0.349 nan 8.270 nan 0.000 0.440 182 A N 1.225 124.130 122.820 0.143 0.000 1.930 182 A HA -0.039 4.282 4.320 0.001 0.000 0.217 182 A C 2.337 180.066 177.584 0.242 0.000 1.175 182 A CA 1.449 53.615 52.037 0.214 0.000 0.627 182 A CB -0.489 18.675 19.000 0.274 0.000 0.815 182 A HN 0.368 nan 8.150 nan 0.000 0.443 183 A N -0.087 122.848 122.820 0.192 0.000 1.972 183 A HA 0.174 4.495 4.320 0.001 0.000 0.219 183 A C 2.374 179.915 177.584 -0.071 0.000 1.169 183 A CA 1.847 53.809 52.037 -0.126 0.000 0.635 183 A CB -0.808 17.929 19.000 -0.438 0.000 0.810 183 A HN 1.045 nan 8.150 nan 0.000 0.446 184 A N -0.439 122.371 122.820 -0.017 0.000 2.119 184 A HA 0.198 4.519 4.320 0.001 0.000 0.217 184 A C 1.465 179.059 177.584 0.016 0.000 1.153 184 A CA 1.521 53.551 52.037 -0.011 0.000 0.692 184 A CB -0.537 18.463 19.000 0.001 0.000 0.799 184 A HN 1.192 nan 8.150 nan 0.000 0.458 185 V N -4.908 115.035 119.914 0.049 0.000 2.909 185 V HA 0.655 4.776 4.120 0.001 0.000 0.362 185 V C 1.297 177.441 176.094 0.084 0.000 1.356 185 V CA 0.022 62.358 62.300 0.060 0.000 1.195 185 V CB -0.742 31.122 31.823 0.067 0.000 1.256 185 V HN 0.335 nan 8.190 nan 0.000 0.567 186 A N 0.921 123.793 122.820 0.088 0.000 1.908 186 A HA -0.261 4.059 4.320 0.001 0.000 0.218 186 A C 1.809 179.455 177.584 0.104 0.000 1.181 186 A CA 2.540 54.658 52.037 0.135 0.000 0.627 186 A CB -0.656 18.431 19.000 0.145 0.000 0.818 186 A HN 0.683 nan 8.150 nan 0.000 0.445 187 D N -0.601 119.840 120.400 0.069 0.000 2.144 187 D HA -0.148 4.493 4.640 0.001 0.000 0.199 187 D C 1.838 178.175 176.300 0.061 0.000 0.984 187 D CA 1.527 55.562 54.000 0.058 0.000 0.834 187 D CB -0.137 40.686 40.800 0.038 0.000 0.955 187 D HN 0.646 nan 8.370 nan 0.000 0.465 188 E N -0.590 119.648 120.200 0.063 0.000 2.338 188 E HA -0.059 4.292 4.350 0.001 0.000 0.197 188 E C 1.823 178.470 176.600 0.078 0.000 1.007 188 E CA 0.294 56.733 56.400 0.064 0.000 0.849 188 E CB 0.103 29.840 29.700 0.061 0.000 0.774 188 E HN 0.419 nan 8.360 nan 0.000 0.506 189 L N 0.814 122.093 121.223 0.092 0.000 2.509 189 L HA 0.083 4.424 4.340 0.001 0.000 0.222 189 L C 0.665 177.599 176.870 0.108 0.000 1.123 189 L CA -0.214 54.689 54.840 0.105 0.000 0.856 189 L CB -0.008 42.121 42.059 0.116 0.000 0.985 189 L HN 0.082 nan 8.230 nan 0.000 0.456 190 L N 2.007 123.287 121.223 0.096 0.000 2.543 190 L HA -0.029 4.312 4.340 0.001 0.000 0.285 190 L C -0.843 176.086 176.870 0.098 0.000 1.236 190 L CA -0.742 54.155 54.840 0.094 0.000 0.871 190 L CB 0.046 42.147 42.059 0.070 0.000 1.121 190 L HN -0.044 nan 8.230 nan 0.000 0.501 191 P HA -0.023 nan 4.420 nan 0.000 0.241 191 P C 0.148 177.578 177.300 0.216 0.000 1.191 191 P CA 0.083 63.261 63.100 0.130 0.000 0.771 191 P CB 0.299 32.040 31.700 0.069 0.000 0.929 192 L N 1.105 122.473 121.223 0.240 0.000 2.455 192 L HA 0.124 4.464 4.340 0.001 0.000 0.272 192 L C 0.234 177.156 176.870 0.087 0.000 1.174 192 L CA 0.607 55.547 54.840 0.167 0.000 0.869 192 L CB -0.072 42.039 42.059 0.086 0.000 1.130 192 L HN -0.177 nan 8.230 nan 0.000 0.474 193 K N 6.287 126.708 120.400 0.035 0.000 2.450 193 K HA 0.465 4.786 4.320 0.001 0.000 0.257 193 K C -0.901 175.619 176.600 -0.134 0.000 0.953 193 K CA -0.477 55.812 56.287 0.004 0.000 0.844 193 K CB 1.434 33.947 32.500 0.022 0.000 1.103 193 K HN 0.489 nan 8.250 nan 0.000 0.429 194 I N 3.494 123.955 120.570 -0.182 0.000 2.496 194 I HA 0.029 4.200 4.170 0.001 0.000 0.285 194 I C 1.135 176.830 176.117 -0.703 0.000 1.080 194 I CA 0.010 60.977 61.300 -0.555 0.000 1.404 194 I CB 0.662 38.158 38.000 -0.840 0.000 1.403 194 I HN 0.464 nan 8.210 nan 0.000 0.539 195 K N 4.071 123.940 120.400 -0.885 0.000 2.391 195 K HA 0.381 4.702 4.320 0.001 0.000 0.197 195 K C 0.431 176.657 176.600 -0.624 0.000 1.087 195 K CA 0.035 55.907 56.287 -0.691 0.000 1.012 195 K CB 1.315 33.413 32.500 -0.670 0.000 0.925 195 K HN 0.854 nan 8.250 nan 0.000 0.547 196 G N 0.418 108.753 108.800 -0.775 0.000 2.506 196 G HA2 0.507 4.467 3.960 0.001 0.000 0.292 196 G HA3 0.507 4.467 3.960 0.001 0.000 0.292 196 G C -1.827 173.092 174.900 0.032 0.000 1.425 196 G CA -0.808 44.231 45.100 -0.102 0.000 0.788 196 G HN -0.041 nan 8.290 nan 0.000 0.490 197 L N 0.039 121.431 121.223 0.281 0.000 2.365 197 L HA 0.714 5.055 4.340 0.001 0.000 0.273 197 L C -0.651 176.382 176.870 0.272 0.000 1.000 197 L CA -1.225 53.757 54.840 0.237 0.000 0.819 197 L CB 2.320 44.509 42.059 0.216 0.000 1.284 197 L HN 0.283 nan 8.230 nan 0.000 0.418 198 V N 4.539 124.586 119.914 0.222 0.000 2.349 198 V HA 0.365 4.486 4.120 0.001 0.000 0.284 198 V C -0.135 176.031 176.094 0.121 0.000 1.014 198 V CA -0.309 62.058 62.300 0.112 0.000 0.826 198 V CB 1.702 33.620 31.823 0.158 0.000 1.009 198 V HN 0.510 nan 8.190 nan 0.000 0.431 199 L N 4.058 125.324 121.223 0.072 0.000 2.272 199 L HA 0.514 4.855 4.340 0.001 0.000 0.284 199 L C -0.329 176.545 176.870 0.006 0.000 1.045 199 L CA -0.316 54.565 54.840 0.069 0.000 0.842 199 L CB 1.110 43.242 42.059 0.122 0.000 1.224 199 L HN 0.522 nan 8.230 nan 0.000 0.430 200 D N 5.494 125.873 120.400 -0.035 0.000 2.396 200 D HA 0.088 4.728 4.640 0.001 0.000 0.225 200 D C 0.609 176.824 176.300 -0.142 0.000 1.121 200 D CA -0.202 53.710 54.000 -0.148 0.000 0.853 200 D CB 0.666 41.344 40.800 -0.205 0.000 1.043 200 D HN 0.620 nan 8.370 nan 0.000 0.500 201 E N 1.667 121.811 120.200 -0.095 0.000 2.228 201 E HA -0.191 4.160 4.350 0.001 0.000 0.213 201 E C -2.156 174.462 176.600 0.030 0.000 1.282 201 E CA -0.156 56.236 56.400 -0.014 0.000 0.707 201 E CB -1.694 27.923 29.700 -0.138 0.000 1.150 201 E HN 0.316 nan 8.360 nan 0.000 0.362 202 P HA 0.138 nan 4.420 nan 0.000 0.271 202 P C 0.532 177.647 177.300 -0.308 0.000 1.216 202 P CA 0.523 63.510 63.100 -0.188 0.000 0.776 202 P CB 1.093 32.663 31.700 -0.216 0.000 0.881 203 G N 2.481 111.045 108.800 -0.394 0.000 2.327 203 G HA2 0.515 4.476 3.960 0.001 0.000 0.302 203 G HA3 0.515 4.476 3.960 0.001 0.000 0.302 203 G C -1.166 173.657 174.900 -0.129 0.000 1.113 203 G CA -0.153 44.847 45.100 -0.167 0.000 0.921 203 G HN 0.283 nan 8.290 nan 0.000 0.425 204 F N 0.724 120.936 119.950 0.437 0.000 2.613 204 F HA 0.817 5.344 4.527 0.001 0.000 0.314 204 F C 0.643 176.554 175.800 0.184 0.000 1.075 204 F CA -0.647 57.538 58.000 0.308 0.000 0.945 204 F CB 2.393 41.453 39.000 0.100 0.000 1.310 204 F HN 0.724 nan 8.300 nan 0.000 0.467 205 G N -0.856 107.917 108.800 -0.045 0.000 2.921 205 G HA2 0.750 4.711 3.960 0.001 0.000 0.291 205 G HA3 0.750 4.711 3.960 0.001 0.000 0.291 205 G C -1.206 173.531 174.900 -0.271 0.000 1.370 205 G CA -0.602 44.323 45.100 -0.291 0.000 0.847 205 G HN 1.063 nan 8.290 nan 0.000 0.532 206 G N -1.720 106.930 108.800 -0.250 0.000 2.519 206 G HA2 0.558 4.518 3.960 0.001 0.000 0.292 206 G HA3 0.558 4.518 3.960 0.001 0.000 0.292 206 G C 0.705 175.535 174.900 -0.118 0.000 1.507 206 G CA 0.987 45.987 45.100 -0.166 0.000 0.806 206 G HN 1.446 nan 8.290 nan 0.000 0.523 207 S N -0.239 115.407 115.700 -0.089 0.000 2.355 207 S HA 0.036 4.507 4.470 0.001 0.000 0.222 207 S C 0.959 175.538 174.600 -0.034 0.000 1.031 207 S CA 0.897 59.064 58.200 -0.054 0.000 0.993 207 S CB -0.247 62.926 63.200 -0.045 0.000 0.859 207 S HN 0.560 nan 8.310 nan 0.000 0.453 208 K N 1.637 122.015 120.400 -0.037 0.000 2.270 208 K HA 0.322 4.643 4.320 0.001 0.000 0.276 208 K C -0.294 176.293 176.600 -0.022 0.000 1.023 208 K CA -0.639 55.632 56.287 -0.026 0.000 0.955 208 K CB 0.451 32.933 32.500 -0.029 0.000 0.975 208 K HN 0.118 nan 8.250 nan 0.000 0.471 209 R N 1.604 122.098 120.500 -0.011 0.000 2.438 209 R HA 0.087 4.428 4.340 0.001 0.000 0.287 209 R C 0.413 176.707 176.300 -0.011 0.000 1.077 209 R CA -0.291 55.806 56.100 -0.006 0.000 1.034 209 R CB 0.178 30.479 30.300 0.002 0.000 0.993 209 R HN 0.801 nan 8.270 nan 0.000 0.459 210 T N -1.838 112.709 114.554 -0.011 0.000 2.788 210 T HA 0.198 4.549 4.350 0.001 0.000 0.287 210 T C 1.705 176.396 174.700 -0.014 0.000 1.007 210 T CA -0.222 61.869 62.100 -0.016 0.000 1.005 210 T CB 1.036 69.893 68.868 -0.017 0.000 1.012 210 T HN 0.552 nan 8.240 nan 0.000 0.530 211 G N 0.681 109.472 108.800 -0.015 0.000 2.469 211 G HA2 -0.274 3.686 3.960 0.001 0.000 0.219 211 G HA3 -0.274 3.686 3.960 0.001 0.000 0.219 211 G C 1.830 176.717 174.900 -0.022 0.000 1.150 211 G CA 1.235 46.327 45.100 -0.013 0.000 0.763 211 G HN 1.004 nan 8.290 nan 0.000 0.561 212 S N 0.336 116.015 115.700 -0.035 0.000 2.402 212 S HA -0.017 4.454 4.470 0.001 0.000 0.229 212 S C 1.952 176.526 174.600 -0.043 0.000 1.021 212 S CA 1.520 59.682 58.200 -0.064 0.000 0.974 212 S CB -0.210 62.939 63.200 -0.085 0.000 0.800 212 S HN 0.565 nan 8.310 nan 0.000 0.484 213 E N 1.165 121.353 120.200 -0.020 0.000 2.150 213 E HA 0.048 4.398 4.350 0.001 0.000 0.193 213 E C 1.968 178.564 176.600 -0.006 0.000 0.985 213 E CA 1.013 57.409 56.400 -0.008 0.000 0.814 213 E CB -0.294 29.410 29.700 0.007 0.000 0.752 213 E HN 0.517 nan 8.360 nan 0.000 0.466 214 L N 0.330 121.549 121.223 -0.007 0.000 2.027 214 L HA -0.128 4.212 4.340 0.001 0.000 0.206 214 L C 2.704 179.571 176.870 -0.005 0.000 1.074 214 L CA 1.077 55.916 54.840 -0.002 0.000 0.745 214 L CB -0.355 41.703 42.059 -0.001 0.000 0.898 214 L HN 0.052 nan 8.230 nan 0.000 0.433 215 R N 0.784 121.274 120.500 -0.016 0.000 2.105 215 R HA -0.140 4.201 4.340 0.001 0.000 0.239 215 R C 1.522 177.810 176.300 -0.020 0.000 1.135 215 R CA 1.378 57.467 56.100 -0.019 0.000 0.967 215 R CB -0.051 30.224 30.300 -0.042 0.000 0.861 215 R HN 0.338 nan 8.270 nan 0.000 0.442 216 L N 0.226 121.432 121.223 -0.028 0.000 2.965 216 L HA 0.323 4.664 4.340 0.001 0.000 0.254 216 L C 1.680 178.544 176.870 -0.009 0.000 1.220 216 L CA -0.121 54.707 54.840 -0.020 0.000 1.023 216 L CB 0.763 42.801 42.059 -0.034 0.000 1.355 216 L HN 0.203 nan 8.230 nan 0.000 0.545 217 A N 0.694 123.513 122.820 -0.001 0.000 1.986 217 A HA -0.222 4.099 4.320 0.001 0.000 0.220 217 A C 1.516 179.108 177.584 0.013 0.000 1.171 217 A CA 1.915 53.957 52.037 0.007 0.000 0.640 217 A CB -0.517 18.493 19.000 0.017 0.000 0.811 217 A HN 0.618 nan 8.150 nan 0.000 0.451 218 N N -0.331 118.382 118.700 0.022 0.000 2.273 218 N HA 0.192 4.933 4.740 0.001 0.000 0.231 218 N C -0.600 174.938 175.510 0.046 0.000 1.134 218 N CA -0.223 52.853 53.050 0.043 0.000 0.856 218 N CB 0.180 38.697 38.487 0.051 0.000 1.068 218 N HN 0.483 nan 8.380 nan 0.000 0.510 219 D N 0.282 120.694 120.400 0.020 0.000 2.548 219 D HA -0.093 4.547 4.640 0.001 0.000 0.231 219 D C 1.278 177.627 176.300 0.081 0.000 1.142 219 D CA 0.352 54.370 54.000 0.030 0.000 0.866 219 D CB 0.748 41.551 40.800 0.005 0.000 1.190 219 D HN 0.242 nan 8.370 nan 0.000 0.469 220 S N 3.231 118.988 115.700 0.094 0.000 2.515 220 S HA -0.068 4.403 4.470 0.001 0.000 0.231 220 S C 1.413 176.161 174.600 0.245 0.000 0.987 220 S CA 0.662 58.954 58.200 0.154 0.000 0.936 220 S CB 0.113 63.334 63.200 0.036 0.000 0.766 220 S HN 0.573 nan 8.310 nan 0.000 0.528 221 R N -0.422 120.183 120.500 0.175 0.000 2.320 221 R HA 0.442 4.783 4.340 0.001 0.000 0.193 221 R C 0.058 176.420 176.300 0.104 0.000 0.885 221 R CA 0.210 56.439 56.100 0.215 0.000 1.085 221 R CB 0.275 30.636 30.300 0.101 0.000 1.253 221 R HN 0.301 nan 8.270 nan 0.000 0.636 222 L N 3.628 124.829 121.223 -0.035 0.000 2.784 222 L HA 0.394 4.735 4.340 0.001 0.000 0.241 222 L C -2.355 174.385 176.870 -0.217 0.000 1.352 222 L CA -1.804 52.935 54.840 -0.170 0.000 0.911 222 L CB 1.046 43.016 42.059 -0.148 0.000 1.227 222 L HN -0.113 nan 8.230 nan 0.000 0.501 223 P HA 0.079 nan 4.420 nan 0.000 0.273 223 P C 0.757 177.906 177.300 -0.251 0.000 1.250 223 P CA -0.137 62.805 63.100 -0.263 0.000 0.793 223 P CB 1.016 32.534 31.700 -0.302 0.000 1.011 224 T N 0.530 115.036 114.554 -0.080 0.000 2.699 224 T HA -0.205 4.146 4.350 0.001 0.000 0.268 224 T C 1.504 176.189 174.700 -0.024 0.000 1.036 224 T CA 2.235 64.325 62.100 -0.018 0.000 1.147 224 T CB -1.053 67.844 68.868 0.048 0.000 0.862 224 T HN 0.599 nan 8.240 nan 0.000 0.446 225 F N 1.282 121.180 119.950 -0.087 0.000 2.234 225 F HA 0.066 4.593 4.527 0.001 0.000 0.299 225 F C 2.046 177.802 175.800 -0.075 0.000 1.087 225 F CA 0.173 58.134 58.000 -0.065 0.000 1.340 225 F CB -1.059 37.901 39.000 -0.066 0.000 1.031 225 F HN -0.067 nan 8.300 nan 0.000 0.500 226 V N 1.583 120.895 119.914 -1.003 0.000 2.323 226 V HA -0.245 3.875 4.120 0.001 0.000 0.244 226 V C 2.615 178.515 176.094 -0.325 0.000 1.041 226 V CA 1.845 63.705 62.300 -0.734 0.000 1.025 226 V CB -0.688 30.621 31.823 -0.857 0.000 0.656 226 V HN 0.454 nan 8.190 nan 0.000 0.451 227 L N -0.117 120.961 121.223 -0.242 0.000 2.013 227 L HA -0.239 4.102 4.340 0.001 0.000 0.212 227 L C 2.413 179.319 176.870 0.059 0.000 1.073 227 L CA 1.823 56.608 54.840 -0.090 0.000 0.753 227 L CB -0.872 41.203 42.059 0.026 0.000 0.890 227 L HN 0.333 nan 8.230 nan 0.000 0.432 228 D N -0.066 120.397 120.400 0.105 0.000 2.149 228 D HA -0.192 4.449 4.640 0.001 0.000 0.198 228 D C 2.045 178.424 176.300 0.132 0.000 0.990 228 D CA 1.094 55.205 54.000 0.186 0.000 0.839 228 D CB -0.202 40.683 40.800 0.142 0.000 0.948 228 D HN 0.147 nan 8.370 nan 0.000 0.460 229 L N 0.749 121.998 121.223 0.043 0.000 2.017 229 L HA -0.111 4.229 4.340 0.001 0.000 0.208 229 L C 2.149 179.012 176.870 -0.011 0.000 1.073 229 L CA 1.346 56.205 54.840 0.032 0.000 0.745 229 L CB -0.543 41.526 42.059 0.016 0.000 0.894 229 L HN -0.010 nan 8.230 nan 0.000 0.432 230 I N -1.545 118.958 120.570 -0.111 0.000 2.151 230 I HA -0.370 3.801 4.170 0.001 0.000 0.243 230 I C 2.193 178.188 176.117 -0.204 0.000 1.080 230 I CA 2.199 63.371 61.300 -0.213 0.000 1.339 230 I CB -0.465 37.292 38.000 -0.404 0.000 1.039 230 I HN 0.379 nan 8.210 nan 0.000 0.409 231 W N 0.699 122.033 121.300 0.057 0.000 2.388 231 W HA -0.193 4.468 4.660 0.001 0.000 0.294 231 W C 2.623 179.138 176.519 -0.006 0.000 1.212 231 W CA 0.889 58.252 57.345 0.029 0.000 1.271 231 W CB -0.338 29.144 29.460 0.037 0.000 1.126 231 W HN 0.099 nan 8.180 nan 0.000 0.535 232 E N 1.068 121.388 120.200 0.199 0.000 2.085 232 E HA -0.206 4.145 4.350 0.001 0.000 0.194 232 E C 1.797 178.434 176.600 0.060 0.000 0.994 232 E CA 1.622 58.090 56.400 0.114 0.000 0.801 232 E CB -0.617 29.137 29.700 0.091 0.000 0.743 232 E HN 0.290 nan 8.360 nan 0.000 0.453 233 L N -0.259 120.986 121.223 0.037 0.000 2.313 233 L HA 0.032 4.373 4.340 0.001 0.000 0.214 233 L C 2.060 178.922 176.870 -0.014 0.000 1.119 233 L CA 0.917 55.763 54.840 0.009 0.000 0.809 233 L CB 0.015 42.078 42.059 0.007 0.000 0.933 233 L HN 0.072 nan 8.230 nan 0.000 0.449 234 S N -0.851 114.833 115.700 -0.026 0.000 2.475 234 S HA 0.226 4.697 4.470 0.001 0.000 0.224 234 S C 0.856 175.364 174.600 -0.153 0.000 1.042 234 S CA -0.133 57.989 58.200 -0.130 0.000 0.935 234 S CB 0.246 63.268 63.200 -0.296 0.000 0.801 234 S HN 0.088 nan 8.310 nan 0.000 0.509 235 L N 2.356 123.558 121.223 -0.036 0.000 2.466 235 L HA 0.315 4.656 4.340 0.001 0.000 0.257 235 L C -2.454 174.365 176.870 -0.085 0.000 1.189 235 L CA -2.374 52.424 54.840 -0.070 0.000 0.813 235 L CB -0.223 41.814 42.059 -0.037 0.000 1.118 235 L HN -0.076 nan 8.230 nan 0.000 0.471 236 P HA -0.036 nan 4.420 nan 0.000 0.265 236 P C -0.422 176.852 177.300 -0.042 0.000 1.187 236 P CA 0.289 63.347 63.100 -0.070 0.000 0.766 236 P CB 0.322 31.979 31.700 -0.071 0.000 0.820 237 M N 2.129 121.716 119.600 -0.021 0.000 2.248 237 M HA 0.042 4.523 4.480 0.001 0.000 0.343 237 M C 1.656 177.955 176.300 -0.001 0.000 1.243 237 M CA 1.621 56.916 55.300 -0.008 0.000 1.025 237 M CB -0.747 31.849 32.600 -0.006 0.000 1.759 237 M HN 0.789 nan 8.290 nan 0.000 0.452 238 G N 1.586 110.389 108.800 0.005 0.000 2.189 238 G HA2 -0.260 3.700 3.960 0.001 0.000 0.267 238 G HA3 -0.260 3.700 3.960 0.001 0.000 0.267 238 G C 0.302 175.211 174.900 0.015 0.000 0.975 238 G CA 0.209 45.315 45.100 0.010 0.000 0.644 238 G HN 1.096 nan 8.290 nan 0.000 0.537 239 A N 0.278 123.106 122.820 0.013 0.000 2.386 239 A HA 0.554 4.875 4.320 0.001 0.000 0.246 239 A C 0.601 178.203 177.584 0.029 0.000 1.089 239 A CA 0.879 52.938 52.037 0.037 0.000 0.790 239 A CB 0.250 19.255 19.000 0.008 0.000 1.042 239 A HN 1.011 nan 8.150 nan 0.000 0.497 240 D N -1.008 119.412 120.400 0.034 0.000 2.506 240 D HA 0.350 4.990 4.640 0.001 0.000 0.254 240 D C 0.521 176.816 176.300 -0.010 0.000 1.089 240 D CA -0.728 53.279 54.000 0.011 0.000 1.050 240 D CB 0.508 41.306 40.800 -0.004 0.000 1.221 240 D HN 0.388 nan 8.370 nan 0.000 0.589 241 R N -0.796 119.671 120.500 -0.056 0.000 2.339 241 R HA 0.031 4.372 4.340 0.001 0.000 0.199 241 R C 0.025 176.225 176.300 -0.167 0.000 1.018 241 R CA 0.415 56.413 56.100 -0.170 0.000 1.036 241 R CB -0.053 30.112 30.300 -0.226 0.000 0.899 241 R HN 0.421 nan 8.270 nan 0.000 0.473 242 D N -0.241 120.103 120.400 -0.093 0.000 2.340 242 D HA -0.052 4.589 4.640 0.001 0.000 0.220 242 D C 0.142 176.392 176.300 -0.083 0.000 1.039 242 D CA 0.320 54.264 54.000 -0.093 0.000 0.866 242 D CB -0.212 40.537 40.800 -0.085 0.000 0.913 242 D HN 0.283 nan 8.370 nan 0.000 0.523 243 H N 1.394 120.378 119.070 -0.144 0.000 3.038 243 H HA -0.053 4.504 4.556 0.001 0.000 0.338 243 H C 1.655 176.907 175.328 -0.128 0.000 1.041 243 H CA 0.484 56.432 56.048 -0.166 0.000 1.394 243 H CB 0.850 30.499 29.762 -0.189 0.000 1.357 243 H HN 0.082 nan 8.280 nan 0.000 0.600 244 E N 3.443 123.478 120.200 -0.275 0.000 2.209 244 E HA -0.281 4.070 4.350 0.001 0.000 0.196 244 E C 0.923 177.761 176.600 0.395 0.000 0.993 244 E CA 1.454 57.863 56.400 0.015 0.000 0.819 244 E CB -0.302 29.362 29.700 -0.060 0.000 0.745 244 E HN 0.821 nan 8.360 nan 0.000 0.477 245 Y N -0.199 120.385 120.300 0.473 0.000 2.373 245 Y HA -0.130 4.421 4.550 0.001 0.000 0.293 245 Y C 2.640 178.734 175.900 0.324 0.000 1.129 245 Y CA 0.353 58.623 58.100 0.284 0.000 1.226 245 Y CB 0.049 38.606 38.460 0.162 0.000 1.000 245 Y HN 0.339 nan 8.280 nan 0.000 0.549 246 C N 0.161 119.615 119.300 0.256 0.000 2.568 246 C HA 0.114 4.574 4.460 0.001 0.000 0.284 246 C C 0.918 175.869 174.990 -0.064 0.000 1.338 246 C CA 0.252 59.120 59.018 -0.249 0.000 1.724 246 C CB -0.703 26.633 27.740 -0.674 0.000 2.131 246 C HN 0.311 nan 8.230 nan 0.000 0.513 247 N N 0.686 119.367 118.700 -0.031 0.000 2.558 247 N HA 0.364 5.105 4.740 0.001 0.000 0.242 247 N C -1.867 173.602 175.510 -0.069 0.000 0.979 247 N CA -1.954 51.049 53.050 -0.078 0.000 0.931 247 N CB 1.487 39.902 38.487 -0.119 0.000 1.122 247 N HN 0.337 nan 8.380 nan 0.000 0.508 248 P HA 0.048 nan 4.420 nan 0.000 0.236 248 P C -0.011 177.195 177.300 -0.157 0.000 1.177 248 P CA 0.588 63.585 63.100 -0.172 0.000 0.773 248 P CB 0.329 31.665 31.700 -0.607 0.000 0.878 255 L N 0.214 121.090 121.223 -0.579 0.000 3.608 255 L HA -0.278 4.062 4.340 0.001 0.000 0.422 255 L C 1.038 177.612 176.870 -0.494 0.000 1.260 255 L CA 0.178 54.568 54.840 -0.751 0.000 0.889 255 L CB -2.317 39.022 42.059 -1.199 0.000 1.821 255 L HN 0.019 nan 8.230 nan 0.000 0.884 256 Y N -0.403 119.765 120.300 -0.219 0.000 2.274 256 Y HA -0.221 4.330 4.550 0.001 0.000 0.290 256 Y C 2.534 178.389 175.900 -0.074 0.000 1.145 256 Y CA 1.714 59.744 58.100 -0.116 0.000 1.203 256 Y CB -0.252 38.156 38.460 -0.088 0.000 0.984 256 Y HN 0.364 nan 8.280 nan 0.000 0.533 257 S N -0.259 115.481 115.700 0.067 0.000 2.407 257 S HA -0.194 4.276 4.470 0.001 0.000 0.235 257 S C 1.678 176.417 174.600 0.231 0.000 1.036 257 S CA 1.231 59.486 58.200 0.092 0.000 1.013 257 S CB -0.528 62.712 63.200 0.066 0.000 0.820 257 S HN 0.348 nan 8.310 nan 0.000 0.476 258 F N 1.945 121.887 119.950 -0.014 0.000 2.293 258 F HA -0.008 4.520 4.527 0.001 0.000 0.300 258 F C 2.055 177.837 175.800 -0.029 0.000 1.086 258 F CA -0.031 57.960 58.000 -0.015 0.000 1.375 258 F CB -1.173 37.833 39.000 0.010 0.000 1.045 258 F HN 0.173 nan 8.300 nan 0.000 0.516 259 D N 0.261 120.766 120.400 0.176 0.000 2.144 259 D HA -0.171 4.470 4.640 0.001 0.000 0.199 259 D C 2.229 178.529 176.300 -0.001 0.000 0.984 259 D CA 1.126 55.176 54.000 0.084 0.000 0.834 259 D CB -0.143 40.711 40.800 0.090 0.000 0.955 259 D HN 0.124 nan 8.370 nan 0.000 0.465 260 K N 0.958 121.335 120.400 -0.037 0.000 2.057 260 K HA 0.008 4.329 4.320 0.001 0.000 0.206 260 K C 2.115 178.529 176.600 -0.311 0.000 1.050 260 K CA 0.580 56.775 56.287 -0.154 0.000 0.935 260 K CB -0.459 31.945 32.500 -0.161 0.000 0.715 260 K HN 0.102 nan 8.250 nan 0.000 0.439 261 I N 0.437 120.828 120.570 -0.298 0.000 2.208 261 I HA -0.317 3.854 4.170 0.001 0.000 0.245 261 I C 2.654 178.615 176.117 -0.260 0.000 1.097 261 I CA 1.459 62.493 61.300 -0.444 0.000 1.363 261 I CB -0.305 37.588 38.000 -0.179 0.000 1.051 261 I HN 0.249 nan 8.210 nan 0.000 0.413 262 R N 0.506 120.942 120.500 -0.107 0.000 2.066 262 R HA -0.181 4.160 4.340 0.001 0.000 0.232 262 R C 2.522 178.787 176.300 -0.058 0.000 1.131 262 R CA 1.916 57.993 56.100 -0.038 0.000 0.955 262 R CB -0.291 30.015 30.300 0.011 0.000 0.851 262 R HN 0.195 nan 8.270 nan 0.000 0.432 263 S N 0.521 116.170 115.700 -0.085 0.000 2.368 263 S HA -0.072 4.399 4.470 0.001 0.000 0.225 263 S C 1.936 176.480 174.600 -0.094 0.000 1.030 263 S CA 1.093 59.248 58.200 -0.074 0.000 0.999 263 S CB -0.176 62.979 63.200 -0.075 0.000 0.844 263 S HN 0.403 nan 8.310 nan 0.000 0.459 264 L N 0.562 121.662 121.223 -0.204 0.000 2.376 264 L HA 0.138 4.478 4.340 0.001 0.000 0.219 264 L C 1.846 178.714 176.870 -0.004 0.000 1.133 264 L CA 0.597 55.322 54.840 -0.191 0.000 0.816 264 L CB -0.682 41.045 42.059 -0.554 0.000 0.933 264 L HN 0.603 nan 8.230 nan 0.000 0.449 265 G N -1.767 107.036 108.800 0.005 0.000 2.136 265 G HA2 -0.243 3.718 3.960 0.001 0.000 0.242 265 G HA3 -0.243 3.718 3.960 0.001 0.000 0.242 265 G C -0.212 174.839 174.900 0.252 0.000 0.989 265 G CA -0.492 44.672 45.100 0.108 0.000 0.682 265 G HN 0.146 nan 8.290 nan 0.000 0.522 266 W N 1.084 122.384 121.300 0.000 0.000 2.210 266 W HA 0.593 5.253 4.660 0.001 0.000 0.330 266 W C 1.111 177.657 176.519 0.046 0.000 1.334 266 W CA -0.709 56.640 57.345 0.007 0.000 1.227 266 W CB 0.261 29.730 29.460 0.015 0.000 1.178 266 W HN 0.165 nan 8.180 nan 0.000 0.560 267 R N 1.331 122.001 120.500 0.284 0.000 2.486 267 R HA 0.649 4.990 4.340 0.001 0.000 0.286 267 R C -1.054 175.542 176.300 0.493 0.000 0.999 267 R CA -1.047 55.235 56.100 0.303 0.000 0.993 267 R CB 1.516 31.902 30.300 0.144 0.000 1.084 267 R HN 0.125 nan 8.270 nan 0.000 0.487 268 V N 3.505 123.680 119.914 0.435 0.000 2.483 268 V HA 0.312 4.433 4.120 0.001 0.000 0.297 268 V C -0.279 175.910 176.094 0.158 0.000 1.027 268 V CA -0.674 61.816 62.300 0.317 0.000 0.855 268 V CB 1.656 33.585 31.823 0.177 0.000 0.995 268 V HN 0.717 nan 8.190 nan 0.000 0.424 269 M N 5.870 125.391 119.600 -0.131 0.000 2.209 269 M HA 0.695 5.175 4.480 0.001 0.000 0.355 269 M C -1.500 174.701 176.300 -0.166 0.000 1.171 269 M CA -0.342 54.739 55.300 -0.366 0.000 1.069 269 M CB 1.419 33.471 32.600 -0.914 0.000 1.622 269 M HN 0.472 nan 8.290 nan 0.000 0.459 270 V N 6.127 125.939 119.914 -0.170 0.000 2.531 270 V HA 0.660 4.780 4.120 0.001 0.000 0.301 270 V C -0.525 175.302 176.094 -0.445 0.000 1.034 270 V CA -0.791 61.416 62.300 -0.156 0.000 0.865 270 V CB 1.407 33.263 31.823 0.055 0.000 0.995 270 V HN 0.746 nan 8.190 nan 0.000 0.424 271 V N 1.500 121.222 119.914 -0.321 0.000 2.962 271 V HA 1.156 5.277 4.120 0.001 0.000 0.313 271 V C 0.029 176.021 176.094 -0.170 0.000 1.099 271 V CA 0.033 62.084 62.300 -0.415 0.000 0.971 271 V CB 1.627 33.307 31.823 -0.239 0.000 1.028 271 V HN 1.285 nan 8.190 nan 0.000 0.430 272 G N 0.340 109.111 108.800 -0.048 0.000 2.430 272 G HA2 0.702 4.663 3.960 0.001 0.000 0.300 272 G HA3 0.702 4.663 3.960 0.001 0.000 0.300 272 G C -0.935 174.101 174.900 0.227 0.000 1.330 272 G CA 0.037 45.255 45.100 0.196 0.000 0.813 272 G HN 2.160 nan 8.290 nan 0.000 0.487 273 C N -2.715 116.698 119.300 0.189 0.000 3.241 273 C HA 0.759 5.219 4.460 0.001 0.000 0.312 273 C C 1.134 176.227 174.990 0.173 0.000 1.350 273 C CA -0.598 58.516 59.018 0.161 0.000 1.415 273 C CB 0.878 28.651 27.740 0.056 0.000 1.770 273 C HN 1.051 nan 8.230 nan 0.000 0.466 274 H N 0.993 120.105 119.070 0.069 0.000 2.456 274 H HA 0.113 4.670 4.556 0.001 0.000 0.296 274 H C 1.967 177.329 175.328 0.056 0.000 1.079 274 H CA 2.287 58.364 56.048 0.049 0.000 1.322 274 H CB -0.093 29.693 29.762 0.040 0.000 1.388 274 H HN 0.953 nan 8.280 nan 0.000 0.538 275 G N -0.640 108.214 108.800 0.090 0.000 3.124 275 G HA2 -0.066 3.895 3.960 0.001 0.000 0.212 275 G HA3 -0.066 3.895 3.960 0.001 0.000 0.212 275 G C -0.263 174.683 174.900 0.077 0.000 1.181 275 G CA 0.106 45.243 45.100 0.063 0.000 0.803 275 G HN 0.329 nan 8.290 nan 0.000 0.529 276 D N 0.012 120.450 120.400 0.063 0.000 2.280 276 D HA 0.300 4.941 4.640 0.001 0.000 0.236 276 D C -1.509 174.804 176.300 0.022 0.000 1.082 276 D CA -2.487 51.570 54.000 0.095 0.000 0.834 276 D CB 2.380 43.278 40.800 0.163 0.000 1.100 276 D HN -0.112 nan 8.370 nan 0.000 0.486 277 P HA -0.083 nan 4.420 nan 0.000 0.219 277 P C 1.272 178.573 177.300 0.002 0.000 1.146 277 P CA 1.137 64.225 63.100 -0.019 0.000 0.808 277 P CB 0.092 31.777 31.700 -0.025 0.000 0.779 278 M N -2.138 117.476 119.600 0.023 0.000 2.618 278 M HA 0.023 4.504 4.480 0.001 0.000 0.240 278 M C 1.694 178.039 176.300 0.076 0.000 1.123 278 M CA 0.146 55.488 55.300 0.071 0.000 1.060 278 M CB -0.497 32.157 32.600 0.091 0.000 1.535 278 M HN -0.116 nan 8.290 nan 0.000 0.507 279 I N 1.611 122.203 120.570 0.038 0.000 2.194 279 I HA -0.323 3.848 4.170 0.001 0.000 0.246 279 I C 1.564 177.638 176.117 -0.072 0.000 1.093 279 I CA 2.032 63.331 61.300 -0.003 0.000 1.355 279 I CB -0.254 37.738 38.000 -0.014 0.000 1.046 279 I HN 0.220 nan 8.210 nan 0.000 0.413 280 D N 0.171 120.540 120.400 -0.052 0.000 2.144 280 D HA -0.153 4.487 4.640 0.001 0.000 0.199 280 D C 2.381 178.646 176.300 -0.058 0.000 0.984 280 D CA 1.135 55.093 54.000 -0.069 0.000 0.834 280 D CB -0.205 40.568 40.800 -0.045 0.000 0.955 280 D HN 0.426 nan 8.370 nan 0.000 0.465 281 R N 0.120 120.622 120.500 0.003 0.000 2.115 281 R HA 0.001 4.342 4.340 0.001 0.000 0.226 281 R C 2.313 178.632 176.300 0.032 0.000 1.100 281 R CA 0.698 56.807 56.100 0.015 0.000 0.980 281 R CB -0.081 30.278 30.300 0.099 0.000 0.875 281 R HN 0.310 nan 8.270 nan 0.000 0.445 282 Q N 0.195 120.058 119.800 0.106 0.000 2.079 282 Q HA -0.083 4.258 4.340 0.001 0.000 0.200 282 Q C 2.097 178.110 176.000 0.022 0.000 0.974 282 Q CA 1.410 57.317 55.803 0.173 0.000 0.840 282 Q CB -0.027 28.868 28.738 0.262 0.000 0.898 282 Q HN 0.338 nan 8.270 nan 0.000 0.430 283 M N 0.195 119.637 119.600 -0.263 0.000 2.175 283 M HA -0.160 4.321 4.480 0.001 0.000 0.264 283 M C 2.142 178.356 176.300 -0.142 0.000 1.063 283 M CA 1.257 56.304 55.300 -0.422 0.000 1.119 283 M CB -0.192 32.054 32.600 -0.590 0.000 1.377 283 M HN 0.232 nan 8.290 nan 0.000 0.415 284 E N 0.971 121.109 120.200 -0.103 0.000 2.077 284 E HA -0.232 4.119 4.350 0.001 0.000 0.193 284 E C 1.966 178.541 176.600 -0.041 0.000 0.989 284 E CA 1.030 57.391 56.400 -0.065 0.000 0.800 284 E CB -0.025 29.629 29.700 -0.077 0.000 0.746 284 E HN 0.320 nan 8.360 nan 0.000 0.452 285 L N 0.931 122.113 121.223 -0.068 0.000 2.012 285 L HA -0.135 4.206 4.340 0.001 0.000 0.210 285 L C 2.312 179.201 176.870 0.032 0.000 1.073 285 L CA 2.261 57.065 54.840 -0.061 0.000 0.748 285 L CB -0.746 41.192 42.059 -0.201 0.000 0.891 285 L HN 0.204 nan 8.230 nan 0.000 0.431 286 A N -0.878 121.993 122.820 0.086 0.000 1.940 286 A HA -0.253 4.068 4.320 0.001 0.000 0.219 286 A C 2.169 179.810 177.584 0.096 0.000 1.176 286 A CA 1.998 54.116 52.037 0.135 0.000 0.631 286 A CB -0.643 18.555 19.000 0.330 0.000 0.814 286 A HN 0.640 nan 8.150 nan 0.000 0.446 287 E N -0.832 119.411 120.200 0.071 0.000 2.072 287 E HA -0.135 4.216 4.350 0.001 0.000 0.191 287 E C 2.326 178.970 176.600 0.073 0.000 0.985 287 E CA 0.732 57.168 56.400 0.059 0.000 0.801 287 E CB -0.113 29.603 29.700 0.027 0.000 0.750 287 E HN 0.348 nan 8.360 nan 0.000 0.452 288 R N 0.585 121.142 120.500 0.095 0.000 2.096 288 R HA -0.087 4.253 4.340 0.001 0.000 0.235 288 R C 2.432 178.895 176.300 0.272 0.000 1.127 288 R CA 0.794 57.000 56.100 0.176 0.000 0.968 288 R CB -0.727 29.700 30.300 0.212 0.000 0.861 288 R HN 0.246 nan 8.270 nan 0.000 0.440 289 L N 0.828 122.139 121.223 0.146 0.000 2.017 289 L HA -0.182 4.159 4.340 0.001 0.000 0.208 289 L C 2.454 179.342 176.870 0.030 0.000 1.073 289 L CA 1.509 56.305 54.840 -0.074 0.000 0.745 289 L CB -0.418 41.503 42.059 -0.229 0.000 0.894 289 L HN 0.218 nan 8.230 nan 0.000 0.432 290 E N -0.041 120.191 120.200 0.053 0.000 2.058 290 E HA -0.303 4.048 4.350 0.001 0.000 0.194 290 E C 2.178 178.819 176.600 0.069 0.000 0.997 290 E CA 1.351 57.787 56.400 0.061 0.000 0.801 290 E CB -0.084 29.656 29.700 0.066 0.000 0.746 290 E HN 0.307 nan 8.360 nan 0.000 0.450 291 K N 0.852 121.299 120.400 0.079 0.000 2.211 291 K HA -0.151 4.170 4.320 0.001 0.000 0.204 291 K C 1.551 178.201 176.600 0.083 0.000 1.047 291 K CA 0.968 57.298 56.287 0.071 0.000 0.935 291 K CB 0.209 32.747 32.500 0.062 0.000 0.728 291 K HN -0.144 nan 8.250 nan 0.000 0.452 292 K N -0.379 120.096 120.400 0.126 0.000 2.458 292 K HA 0.035 4.356 4.320 0.001 0.000 0.194 292 K C 0.598 177.257 176.600 0.100 0.000 1.024 292 K CA 0.746 57.117 56.287 0.140 0.000 1.108 292 K CB 0.676 33.348 32.500 0.287 0.000 0.846 292 K HN 0.484 nan 8.250 nan 0.000 0.518 293 G N 1.046 109.890 108.800 0.074 0.000 2.143 293 G HA2 -0.235 3.726 3.960 0.001 0.000 0.249 293 G HA3 -0.235 3.726 3.960 0.001 0.000 0.249 293 G C 0.198 175.128 174.900 0.050 0.000 0.981 293 G CA 0.212 45.345 45.100 0.056 0.000 0.665 293 G HN 0.130 nan 8.290 nan 0.000 0.528 294 V N 1.109 121.048 119.914 0.042 0.000 2.614 294 V HA 0.330 4.451 4.120 0.001 0.000 0.291 294 V C 0.747 176.875 176.094 0.057 0.000 1.049 294 V CA -0.197 62.121 62.300 0.030 0.000 1.038 294 V CB 1.627 33.423 31.823 -0.045 0.000 0.980 294 V HN 0.357 nan 8.190 nan 0.000 0.481 295 D N 4.373 124.823 120.400 0.084 0.000 2.348 295 D HA 0.163 4.804 4.640 0.001 0.000 0.259 295 D C -0.405 175.980 176.300 0.142 0.000 1.296 295 D CA 0.269 54.332 54.000 0.105 0.000 0.931 295 D CB 0.562 41.427 40.800 0.109 0.000 1.067 295 D HN 0.231 nan 8.370 nan 0.000 0.503 296 V N 4.097 124.083 119.914 0.119 0.000 2.483 296 V HA 0.348 4.469 4.120 0.001 0.000 0.295 296 V C 0.248 176.416 176.094 0.124 0.000 1.035 296 V CA -0.902 61.471 62.300 0.122 0.000 0.896 296 V CB 2.051 33.925 31.823 0.086 0.000 0.986 296 V HN 0.260 nan 8.190 nan 0.000 0.447 297 V N 4.177 124.160 119.914 0.115 0.000 2.304 297 V HA 0.683 4.804 4.120 0.001 0.000 0.278 297 V C 0.345 176.406 176.094 -0.054 0.000 1.018 297 V CA -0.445 61.894 62.300 0.065 0.000 0.814 297 V CB 1.307 33.211 31.823 0.135 0.000 1.021 297 V HN 0.980 nan 8.190 nan 0.000 0.440 298 A N 4.294 127.081 122.820 -0.054 0.000 2.292 298 A HA 0.844 5.164 4.320 0.001 0.000 0.319 298 A C -0.414 177.010 177.584 -0.266 0.000 1.206 298 A CA -0.557 51.353 52.037 -0.211 0.000 0.835 298 A CB 1.410 20.416 19.000 0.011 0.000 1.164 298 A HN 0.674 nan 8.150 nan 0.000 0.505 299 Q N 1.926 121.418 119.800 -0.512 0.000 2.490 299 Q HA 0.573 4.914 4.340 0.001 0.000 0.255 299 Q C -2.204 173.546 176.000 -0.416 0.000 0.997 299 Q CA -0.076 55.546 55.803 -0.301 0.000 0.709 299 Q CB 0.281 28.928 28.738 -0.150 0.000 1.255 299 Q HN 0.511 nan 8.270 nan 0.000 0.486 300 F N 2.155 122.117 119.950 0.019 0.000 2.402 300 F HA 0.493 5.021 4.527 0.001 0.000 0.355 300 F C 0.213 176.023 175.800 0.017 0.000 1.123 300 F CA -0.747 57.266 58.000 0.021 0.000 1.021 300 F CB 1.355 40.376 39.000 0.034 0.000 1.160 300 F HN 0.295 nan 8.300 nan 0.000 0.451 301 D N 1.737 122.244 120.400 0.177 0.000 2.326 301 D HA 0.432 5.073 4.640 0.001 0.000 0.251 301 D C -0.284 176.075 176.300 0.099 0.000 1.023 301 D CA -0.352 53.703 54.000 0.092 0.000 0.966 301 D CB 2.386 43.210 40.800 0.040 0.000 1.156 301 D HN 0.317 nan 8.370 nan 0.000 0.494 302 V N -1.698 118.247 119.914 0.053 0.000 3.003 302 V HA 0.677 4.798 4.120 0.001 0.000 0.305 302 V C 0.987 177.131 176.094 0.083 0.000 1.078 302 V CA 0.421 62.749 62.300 0.047 0.000 1.083 302 V CB 0.371 32.191 31.823 -0.004 0.000 1.039 302 V HN 0.885 nan 8.190 nan 0.000 0.481 303 G N 1.857 110.737 108.800 0.133 0.000 2.547 303 G HA2 0.280 4.240 3.960 0.001 0.000 0.271 303 G HA3 0.280 4.240 3.960 0.001 0.000 0.271 303 G C 1.106 176.068 174.900 0.104 0.000 1.209 303 G CA 0.431 45.604 45.100 0.121 0.000 0.959 303 G HN 3.118 nan 8.290 nan 0.000 0.563 304 G N -1.810 107.032 108.800 0.071 0.000 2.641 304 G HA2 0.423 4.384 3.960 0.001 0.000 0.254 304 G HA3 0.423 4.384 3.960 0.001 0.000 0.254 304 G C -0.047 174.929 174.900 0.126 0.000 1.315 304 G CA 1.492 46.585 45.100 -0.013 0.000 0.907 304 G HN 2.732 nan 8.290 nan 0.000 0.572 305 Y N -4.354 115.958 120.300 0.019 0.000 2.713 305 Y HA 0.683 5.234 4.550 0.001 0.000 0.335 305 Y C -0.247 175.672 175.900 0.032 0.000 1.222 305 Y CA -0.729 57.394 58.100 0.037 0.000 1.061 305 Y CB 0.371 38.852 38.460 0.035 0.000 1.314 305 Y HN 1.048 nan 8.280 nan 0.000 0.453 306 H N 1.708 120.869 119.070 0.153 0.000 2.964 306 H HA 0.431 4.988 4.556 0.001 0.000 0.328 306 H C 0.802 176.144 175.328 0.023 0.000 1.030 306 H CA 1.720 57.788 56.048 0.034 0.000 1.445 306 H CB 0.800 30.586 29.762 0.041 0.000 1.449 306 H HN 1.328 nan 8.280 nan 0.000 0.581 307 A N 3.325 125.799 122.820 -0.575 0.000 2.952 307 A HA -0.246 4.075 4.320 0.001 0.000 0.252 307 A C 1.987 179.371 177.584 -0.334 0.000 1.323 307 A CA 0.895 52.671 52.037 -0.435 0.000 0.957 307 A CB -2.349 16.502 19.000 -0.248 0.000 1.130 307 A HN 0.761 nan 8.150 nan 0.000 0.799 308 V N 0.169 119.744 119.914 -0.565 0.000 2.380 308 V HA -0.288 3.833 4.120 0.001 0.000 0.251 308 V C 2.231 178.108 176.094 -0.363 0.000 1.063 308 V CA 3.021 64.883 62.300 -0.730 0.000 1.055 308 V CB -0.497 30.645 31.823 -1.136 0.000 0.657 308 V HN 0.693 nan 8.190 nan 0.000 0.455 309 K N -0.436 119.760 120.400 -0.340 0.000 2.283 309 K HA -0.034 4.287 4.320 0.001 0.000 0.202 309 K C 1.836 178.368 176.600 -0.114 0.000 1.048 309 K CA 1.205 57.359 56.287 -0.221 0.000 0.948 309 K CB -0.191 32.150 32.500 -0.264 0.000 0.742 309 K HN 0.468 nan 8.250 nan 0.000 0.458 310 L N 0.459 121.555 121.223 -0.213 0.000 2.478 310 L HA -0.072 4.268 4.340 0.001 0.000 0.223 310 L C 1.545 178.370 176.870 -0.074 0.000 1.140 310 L CA 0.903 55.633 54.840 -0.183 0.000 0.842 310 L CB -0.037 41.798 42.059 -0.373 0.000 0.953 310 L HN 0.209 nan 8.230 nan 0.000 0.452 311 E N -1.485 118.687 120.200 -0.048 0.000 2.421 311 E HA 0.016 4.367 4.350 0.001 0.000 0.209 311 E C 0.014 176.625 176.600 0.018 0.000 0.871 311 E CA -0.057 56.350 56.400 0.011 0.000 1.064 311 E CB 0.726 30.475 29.700 0.081 0.000 1.075 311 E HN 0.093 nan 8.360 nan 0.000 0.513 312 D N 1.313 121.703 120.400 -0.017 0.000 2.454 312 D HA 0.139 4.779 4.640 0.001 0.000 0.225 312 D C -2.058 174.229 176.300 -0.021 0.000 1.081 312 D CA -2.454 51.535 54.000 -0.019 0.000 0.864 312 D CB 1.644 42.411 40.800 -0.055 0.000 1.040 312 D HN -0.208 nan 8.370 nan 0.000 0.517 313 P HA -0.096 nan 4.420 nan 0.000 0.220 313 P C 1.034 178.315 177.300 -0.032 0.000 1.148 313 P CA 0.662 63.762 63.100 -0.001 0.000 0.803 313 P CB 0.568 32.276 31.700 0.013 0.000 0.782 314 E N 0.556 120.735 120.200 -0.035 0.000 2.047 314 E HA -0.167 4.184 4.350 0.001 0.000 0.191 314 E C 1.818 178.378 176.600 -0.067 0.000 0.987 314 E CA 1.574 57.947 56.400 -0.046 0.000 0.799 314 E CB -0.535 29.146 29.700 -0.031 0.000 0.752 314 E HN 0.052 nan 8.360 nan 0.000 0.449 315 K N -0.355 120.000 120.400 -0.074 0.000 2.097 315 K HA -0.039 4.281 4.320 0.001 0.000 0.205 315 K C 2.090 178.614 176.600 -0.127 0.000 1.050 315 K CA 1.026 57.255 56.287 -0.096 0.000 0.938 315 K CB -0.176 32.251 32.500 -0.122 0.000 0.718 315 K HN 0.184 nan 8.250 nan 0.000 0.442 316 A N 1.738 124.470 122.820 -0.147 0.000 1.877 316 A HA -0.205 4.116 4.320 0.001 0.000 0.216 316 A C 1.887 179.186 177.584 -0.475 0.000 1.186 316 A CA 1.512 53.367 52.037 -0.304 0.000 0.620 316 A CB -0.331 18.571 19.000 -0.164 0.000 0.822 316 A HN 0.167 nan 8.150 nan 0.000 0.443 317 K N -0.597 119.682 120.400 -0.202 0.000 2.044 317 K HA -0.252 4.069 4.320 0.001 0.000 0.210 317 K C 2.375 178.907 176.600 -0.112 0.000 1.049 317 K CA 2.064 58.281 56.287 -0.116 0.000 0.927 317 K CB -0.237 32.200 32.500 -0.104 0.000 0.713 317 K HN 0.653 nan 8.250 nan 0.000 0.443 318 Q N -0.494 119.244 119.800 -0.104 0.000 2.079 318 Q HA -0.167 4.174 4.340 0.001 0.000 0.200 318 Q C 2.003 177.963 176.000 -0.065 0.000 0.974 318 Q CA 1.456 57.219 55.803 -0.067 0.000 0.840 318 Q CB -0.208 28.502 28.738 -0.046 0.000 0.898 318 Q HN 0.288 nan 8.270 nan 0.000 0.430 319 F N 0.667 120.463 119.950 -0.256 0.000 2.126 319 F HA -0.219 4.308 4.527 0.001 0.000 0.299 319 F C 1.483 177.169 175.800 -0.190 0.000 1.096 319 F CA 1.197 59.039 58.000 -0.263 0.000 1.255 319 F CB -0.163 38.624 39.000 -0.355 0.000 0.997 319 F HN -0.046 nan 8.300 nan 0.000 0.479 320 F N -0.015 119.789 119.950 -0.243 0.000 2.269 320 F HA -0.121 4.407 4.527 0.001 0.000 0.301 320 F C 2.390 178.024 175.800 -0.277 0.000 1.082 320 F CA 0.898 58.692 58.000 -0.343 0.000 1.360 320 F CB -1.588 37.309 39.000 -0.173 0.000 1.041 320 F HN -0.151 nan 8.300 nan 0.000 0.512 321 V N 0.251 120.132 119.914 -0.055 0.000 2.295 321 V HA -0.282 3.838 4.120 0.001 0.000 0.246 321 V C 2.320 178.354 176.094 -0.100 0.000 1.049 321 V CA 1.815 64.081 62.300 -0.057 0.000 1.024 321 V CB -0.581 31.215 31.823 -0.045 0.000 0.648 321 V HN 0.254 nan 8.190 nan 0.000 0.447 322 I N -0.772 119.699 120.570 -0.165 0.000 2.439 322 I HA -0.168 4.003 4.170 0.001 0.000 0.251 322 I C 2.217 178.214 176.117 -0.200 0.000 1.139 322 I CA 0.993 62.200 61.300 -0.154 0.000 1.438 322 I CB -0.235 37.679 38.000 -0.143 0.000 1.085 322 I HN 0.277 nan 8.210 nan 0.000 0.427 323 L N 0.883 121.867 121.223 -0.398 0.000 2.109 323 L HA -0.145 4.195 4.340 0.001 0.000 0.207 323 L C 2.387 179.168 176.870 -0.150 0.000 1.086 323 L CA 1.779 56.413 54.840 -0.344 0.000 0.760 323 L CB -0.602 41.096 42.059 -0.602 0.000 0.910 323 L HN 0.069 nan 8.230 nan 0.000 0.437 324 K N 0.169 120.494 120.400 -0.126 0.000 2.032 324 K HA -0.258 4.062 4.320 0.001 0.000 0.209 324 K C 2.075 178.638 176.600 -0.062 0.000 1.048 324 K CA 2.183 58.419 56.287 -0.086 0.000 0.927 324 K CB -0.090 32.376 32.500 -0.057 0.000 0.712 324 K HN 0.540 nan 8.250 nan 0.000 0.441 325 K N -0.668 119.710 120.400 -0.037 0.000 2.148 325 K HA -0.150 4.171 4.320 0.001 0.000 0.204 325 K C 2.059 178.667 176.600 0.014 0.000 1.050 325 K CA 1.296 57.576 56.287 -0.011 0.000 0.942 325 K CB -0.473 32.027 32.500 -0.000 0.000 0.724 325 K HN 0.087 nan 8.250 nan 0.000 0.446 326 F N 2.204 122.077 119.950 -0.128 0.000 2.146 326 F HA -0.112 4.416 4.527 0.001 0.000 0.298 326 F C 1.890 177.593 175.800 -0.163 0.000 1.096 326 F CA 0.988 58.919 58.000 -0.115 0.000 1.275 326 F CB -0.037 38.880 39.000 -0.138 0.000 1.008 326 F HN -0.226 nan 8.300 nan 0.000 0.480 327 V N -0.564 119.222 119.914 -0.213 0.000 2.809 327 V HA -0.089 4.032 4.120 0.001 0.000 0.256 327 V C 1.277 177.267 176.094 -0.174 0.000 1.080 327 V CA 0.658 62.668 62.300 -0.484 0.000 1.102 327 V CB -0.136 31.391 31.823 -0.494 0.000 0.705 327 V HN 0.087 nan 8.190 nan 0.000 0.475 328 V N 0.000 119.849 119.914 -0.109 0.000 2.409 328 V HA 0.000 4.121 4.120 0.001 0.000 0.244 328 V CA 0.000 62.272 62.300 -0.046 0.000 1.235 328 V CB 0.000 31.802 31.823 -0.036 0.000 1.184 328 V HN 0.000 nan 8.190 nan 0.000 0.556