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 1ofp_1_A DATA FIRST_RESID 21 DATA SEQUENCE EDVRILGYDP LASPALLQVQ IPATPTSLET AKRGRREAID IITGKDDRVL DATA SEQUENCE VIVGPCSIHD LEAAQEYALR LKKLSDELKG DLSIIMRAYL XXXXXXXXXX DATA SEQUENCE GLINDPDVNN TFNINKGLQS ARQLFVNLTN IGLPIGSEML DTISPQYLAD DATA SEQUENCE LVSFGAIGAR TTESQLHREL ASGLSFPVGF KNXXXXXLNV AVDACQAAAH DATA SEQUENCE SHHFMGVTKH GVAAITTTKG NEHCFVILRX XXXXXXYDAK SVAEAKAQLP DATA SEQUENCE AGSNGLMIDY XXXXXXXXFR NQPKVNDVVC EQIANGENAI TGVMIESNIN DATA SEQUENCE EGXXXXXXXX XXXXKYGVSI TDACIGWETT EDVLRKLAAA VRQRREVNK 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 21 E HA 0.000 nan 4.350 nan 0.000 0.291 21 E C 0.000 176.613 176.600 0.021 0.000 1.382 21 E CA 0.000 56.411 56.400 0.018 0.000 0.976 21 E CB 0.000 29.715 29.700 0.024 0.000 0.812 22 D N -1.256 119.159 120.400 0.024 0.000 2.997 22 D HA -0.138 4.502 4.640 -0.001 0.000 0.226 22 D C 1.660 177.954 176.300 -0.010 0.000 1.189 22 D CA 2.933 56.939 54.000 0.011 0.000 0.834 22 D CB -2.612 38.211 40.800 0.039 0.000 1.105 22 D HN 2.069 nan 8.370 nan 0.000 0.415 23 V N -3.997 115.912 119.914 -0.008 0.000 2.867 23 V HA -0.018 4.102 4.120 -0.001 0.000 0.260 23 V C 1.852 177.929 176.094 -0.028 0.000 1.099 23 V CA 2.043 64.333 62.300 -0.016 0.000 1.122 23 V CB -0.367 31.449 31.823 -0.010 0.000 0.708 23 V HN 0.727 nan 8.190 nan 0.000 0.490 24 R N -0.020 120.459 120.500 -0.034 0.000 2.509 24 R HA 0.423 4.763 4.340 -0.001 0.000 0.300 24 R C -0.314 175.942 176.300 -0.073 0.000 0.985 24 R CA -0.333 55.739 56.100 -0.046 0.000 1.092 24 R CB 0.631 30.909 30.300 -0.037 0.000 1.237 24 R HN 0.357 nan 8.270 nan 0.000 0.546 25 I N 2.383 122.898 120.570 -0.092 0.000 2.291 25 I HA 0.056 4.226 4.170 -0.001 0.000 0.290 25 I C 1.578 177.588 176.117 -0.179 0.000 1.050 25 I CA -0.114 61.084 61.300 -0.170 0.000 1.245 25 I CB 0.789 38.660 38.000 -0.214 0.000 1.405 25 I HN 0.098 nan 8.210 nan 0.000 0.478 26 L N 5.491 126.615 121.223 -0.165 0.000 1.989 26 L HA -0.053 4.286 4.340 -0.001 0.000 0.211 26 L C 1.293 178.064 176.870 -0.164 0.000 1.071 26 L CA 1.401 56.161 54.840 -0.133 0.000 0.749 26 L CB -0.356 41.639 42.059 -0.106 0.000 0.890 26 L HN 0.797 nan 8.230 nan 0.000 0.431 27 G N -3.288 105.358 108.800 -0.258 0.000 2.427 27 G HA2 0.375 4.335 3.960 -0.001 0.000 0.306 27 G HA3 0.375 4.335 3.960 -0.001 0.000 0.306 27 G C -2.132 172.480 174.900 -0.480 0.000 1.280 27 G CA -0.698 44.205 45.100 -0.328 0.000 0.837 27 G HN -0.128 nan 8.290 nan 0.000 0.482 28 Y N 0.156 120.452 120.300 -0.006 0.000 2.446 28 Y HA 0.620 5.170 4.550 -0.001 0.000 0.345 28 Y C -0.554 175.346 175.900 -0.000 0.000 0.984 28 Y CA -0.719 57.379 58.100 -0.004 0.000 1.058 28 Y CB 2.612 41.072 38.460 -0.001 0.000 1.220 28 Y HN 0.276 nan 8.280 nan 0.000 0.455 29 D N 3.009 123.504 120.400 0.158 0.000 2.457 29 D HA 0.370 5.009 4.640 -0.001 0.000 0.240 29 D C -2.446 173.905 176.300 0.085 0.000 1.041 29 D CA -1.385 52.669 54.000 0.091 0.000 0.861 29 D CB 1.820 42.653 40.800 0.056 0.000 1.394 29 D HN 0.297 nan 8.370 nan 0.000 0.473 30 P HA 0.326 nan 4.420 nan 0.000 0.275 30 P C -0.990 176.336 177.300 0.043 0.000 1.228 30 P CA -0.614 62.513 63.100 0.044 0.000 0.786 30 P CB 0.944 32.661 31.700 0.029 0.000 0.927 31 L N 1.796 123.048 121.223 0.048 0.000 2.406 31 L HA 0.636 4.976 4.340 -0.001 0.000 0.272 31 L C -0.333 176.586 176.870 0.081 0.000 0.980 31 L CA -0.814 54.063 54.840 0.062 0.000 0.831 31 L CB 1.507 43.615 42.059 0.082 0.000 1.253 31 L HN 0.584 nan 8.230 nan 0.000 0.406 32 A N 3.276 126.149 122.820 0.087 0.000 2.531 32 A HA 0.474 4.794 4.320 -0.001 0.000 0.236 32 A C 0.559 178.265 177.584 0.203 0.000 1.062 32 A CA 0.484 52.586 52.037 0.109 0.000 0.760 32 A CB -0.214 18.851 19.000 0.108 0.000 0.995 32 A HN 0.996 nan 8.150 nan 0.000 0.501 33 S N 2.324 118.076 115.700 0.086 0.000 2.624 33 S HA 0.362 4.832 4.470 -0.001 0.000 0.263 33 S C -1.921 172.636 174.600 -0.071 0.000 1.287 33 S CA -0.701 57.504 58.200 0.009 0.000 0.990 33 S CB 0.473 63.624 63.200 -0.081 0.000 0.950 33 S HN 0.435 nan 8.310 nan 0.000 0.561 34 P HA -0.073 nan 4.420 nan 0.000 0.215 34 P C 1.658 178.875 177.300 -0.139 0.000 1.157 34 P CA 2.064 64.823 63.100 -0.569 0.000 0.868 34 P CB -0.269 31.055 31.700 -0.628 0.000 0.788 35 A N -0.788 121.994 122.820 -0.063 0.000 1.908 35 A HA -0.209 4.110 4.320 -0.001 0.000 0.218 35 A C 2.169 179.768 177.584 0.026 0.000 1.181 35 A CA 1.631 53.688 52.037 0.033 0.000 0.627 35 A CB -1.727 17.382 19.000 0.181 0.000 0.818 35 A HN 0.145 nan 8.150 nan 0.000 0.445 36 L N -0.418 120.805 121.223 -0.000 0.000 1.989 36 L HA -0.130 4.210 4.340 -0.001 0.000 0.211 36 L C 2.323 179.220 176.870 0.045 0.000 1.071 36 L CA 1.778 56.625 54.840 0.013 0.000 0.749 36 L CB -0.409 41.648 42.059 -0.002 0.000 0.890 36 L HN 0.414 nan 8.230 nan 0.000 0.431 37 L N -1.001 120.271 121.223 0.083 0.000 2.131 37 L HA -0.229 4.111 4.340 -0.001 0.000 0.210 37 L C 2.571 179.491 176.870 0.082 0.000 1.092 37 L CA 1.362 56.267 54.840 0.108 0.000 0.759 37 L CB -0.340 41.849 42.059 0.216 0.000 0.903 37 L HN 0.514 nan 8.230 nan 0.000 0.435 38 Q N -1.187 118.652 119.800 0.066 0.000 2.167 38 Q HA -0.160 4.180 4.340 -0.001 0.000 0.202 38 Q C 2.166 178.194 176.000 0.046 0.000 0.970 38 Q CA 1.169 57.005 55.803 0.056 0.000 0.855 38 Q CB 0.010 28.775 28.738 0.045 0.000 0.911 38 Q HN 0.388 nan 8.270 nan 0.000 0.438 39 V N 0.852 120.791 119.914 0.041 0.000 2.379 39 V HA -0.227 3.893 4.120 -0.001 0.000 0.245 39 V C 2.040 178.154 176.094 0.032 0.000 1.044 39 V CA 1.621 63.942 62.300 0.035 0.000 1.036 39 V CB -0.453 31.389 31.823 0.031 0.000 0.664 39 V HN 0.344 nan 8.190 nan 0.000 0.453 40 Q N -0.590 119.230 119.800 0.034 0.000 2.224 40 Q HA 0.063 4.403 4.340 -0.001 0.000 0.203 40 Q C 0.496 176.514 176.000 0.031 0.000 0.970 40 Q CA 1.018 56.839 55.803 0.030 0.000 0.865 40 Q CB 0.197 28.953 28.738 0.031 0.000 0.922 40 Q HN 0.540 nan 8.270 nan 0.000 0.445 41 I N 1.573 122.166 120.570 0.038 0.000 2.871 41 I HA 0.228 4.398 4.170 -0.001 0.000 0.284 41 I C -2.417 173.727 176.117 0.044 0.000 1.390 41 I CA -1.885 59.437 61.300 0.038 0.000 0.958 41 I CB 1.404 39.426 38.000 0.037 0.000 1.618 41 I HN -0.107 nan 8.210 nan 0.000 0.595 42 P HA 0.319 nan 4.420 nan 0.000 0.276 42 P C -0.376 176.952 177.300 0.045 0.000 1.252 42 P CA -0.294 62.831 63.100 0.042 0.000 0.802 42 P CB 1.300 33.020 31.700 0.034 0.000 1.035 43 A N 1.283 124.132 122.820 0.049 0.000 2.316 43 A HA 0.565 4.884 4.320 -0.001 0.000 0.284 43 A C 0.655 178.263 177.584 0.040 0.000 1.115 43 A CA -0.236 51.832 52.037 0.051 0.000 0.812 43 A CB -0.350 18.685 19.000 0.058 0.000 1.064 43 A HN 0.636 nan 8.150 nan 0.000 0.489 44 T N -0.212 114.364 114.554 0.037 0.000 2.788 44 T HA 0.395 4.745 4.350 -0.001 0.000 0.287 44 T C -2.024 172.693 174.700 0.027 0.000 1.007 44 T CA -1.216 60.902 62.100 0.029 0.000 1.005 44 T CB 0.489 69.372 68.868 0.024 0.000 1.012 44 T HN 0.321 nan 8.240 nan 0.000 0.530 45 P HA -0.003 nan 4.420 nan 0.000 0.220 45 P C 1.502 178.813 177.300 0.019 0.000 1.148 45 P CA 0.857 63.970 63.100 0.021 0.000 0.803 45 P CB -0.185 31.525 31.700 0.017 0.000 0.782 46 T N -1.367 113.197 114.554 0.017 0.000 2.857 46 T HA -0.075 4.274 4.350 -0.001 0.000 0.266 46 T C 1.967 176.677 174.700 0.017 0.000 1.048 46 T CA 1.418 63.526 62.100 0.015 0.000 1.139 46 T CB -0.731 68.144 68.868 0.011 0.000 0.874 46 T HN 0.083 nan 8.240 nan 0.000 0.455 47 S N 1.273 116.987 115.700 0.022 0.000 2.356 47 S HA -0.041 4.429 4.470 -0.001 0.000 0.223 47 S C 1.925 176.542 174.600 0.028 0.000 1.032 47 S CA 0.745 58.961 58.200 0.027 0.000 1.005 47 S CB -0.425 62.799 63.200 0.041 0.000 0.867 47 S HN 0.158 nan 8.310 nan 0.000 0.449 48 L N 2.047 123.289 121.223 0.032 0.000 2.017 48 L HA -0.086 4.253 4.340 -0.001 0.000 0.208 48 L C 2.924 179.812 176.870 0.029 0.000 1.073 48 L CA 2.397 57.258 54.840 0.035 0.000 0.745 48 L CB -1.567 40.514 42.059 0.036 0.000 0.894 48 L HN 0.488 nan 8.230 nan 0.000 0.432 49 E N -1.557 118.656 120.200 0.023 0.000 2.085 49 E HA -0.240 4.109 4.350 -0.001 0.000 0.194 49 E C 2.141 178.749 176.600 0.014 0.000 0.994 49 E CA 1.944 58.355 56.400 0.018 0.000 0.801 49 E CB -1.459 28.250 29.700 0.014 0.000 0.743 49 E HN 0.556 nan 8.360 nan 0.000 0.453 50 T N 0.038 114.598 114.554 0.010 0.000 2.720 50 T HA 0.041 4.391 4.350 -0.001 0.000 0.268 50 T C 2.342 177.041 174.700 -0.001 0.000 1.037 50 T CA 1.660 63.761 62.100 0.001 0.000 1.144 50 T CB -0.443 68.423 68.868 -0.004 0.000 0.864 50 T HN 0.617 nan 8.240 nan 0.000 0.444 51 A N 1.804 124.627 122.820 0.005 0.000 1.902 51 A HA -0.119 4.201 4.320 -0.001 0.000 0.217 51 A C 2.212 179.810 177.584 0.024 0.000 1.181 51 A CA 1.985 54.024 52.037 0.004 0.000 0.623 51 A CB -0.530 18.477 19.000 0.012 0.000 0.818 51 A HN 0.562 nan 8.150 nan 0.000 0.443 52 K N -0.319 120.101 120.400 0.034 0.000 2.057 52 K HA -0.184 4.135 4.320 -0.001 0.000 0.207 52 K C 2.252 178.869 176.600 0.028 0.000 1.049 52 K CA 1.517 57.829 56.287 0.041 0.000 0.931 52 K CB -0.293 32.230 32.500 0.039 0.000 0.714 52 K HN 0.390 nan 8.250 nan 0.000 0.440 53 R N 0.086 120.596 120.500 0.016 0.000 2.083 53 R HA -0.108 4.232 4.340 -0.001 0.000 0.237 53 R C 2.431 178.733 176.300 0.003 0.000 1.137 53 R CA 1.867 57.971 56.100 0.007 0.000 0.951 53 R CB -0.748 29.553 30.300 0.001 0.000 0.851 53 R HN 0.455 nan 8.270 nan 0.000 0.434 54 G N 0.323 109.123 108.800 0.001 0.000 2.450 54 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.220 54 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.220 54 G C 1.344 176.255 174.900 0.017 0.000 1.130 54 G CA 0.714 45.812 45.100 -0.002 0.000 0.760 54 G HN 0.343 nan 8.290 nan 0.000 0.557 55 R N 0.012 120.535 120.500 0.038 0.000 2.066 55 R HA 0.024 4.364 4.340 -0.001 0.000 0.232 55 R C 3.138 179.444 176.300 0.011 0.000 1.131 55 R CA 1.577 57.714 56.100 0.061 0.000 0.955 55 R CB -0.492 29.870 30.300 0.103 0.000 0.851 55 R HN 0.367 nan 8.270 nan 0.000 0.432 56 R N 1.438 121.940 120.500 0.004 0.000 2.083 56 R HA -0.154 4.185 4.340 -0.001 0.000 0.237 56 R C 2.099 178.378 176.300 -0.034 0.000 1.137 56 R CA 2.064 58.153 56.100 -0.018 0.000 0.951 56 R CB -1.543 28.755 30.300 -0.003 0.000 0.851 56 R HN 0.268 nan 8.270 nan 0.000 0.434 57 E N -0.203 119.982 120.200 -0.024 0.000 2.110 57 E HA -0.002 4.348 4.350 -0.001 0.000 0.193 57 E C 2.570 179.140 176.600 -0.050 0.000 0.988 57 E CA 0.945 57.324 56.400 -0.035 0.000 0.804 57 E CB -0.580 29.101 29.700 -0.031 0.000 0.745 57 E HN 0.849 nan 8.360 nan 0.000 0.458 58 A N 0.400 123.195 122.820 -0.042 0.000 1.898 58 A HA -0.073 4.246 4.320 -0.001 0.000 0.216 58 A C 2.288 179.815 177.584 -0.094 0.000 1.181 58 A CA 1.421 53.425 52.037 -0.055 0.000 0.620 58 A CB -0.530 18.491 19.000 0.035 0.000 0.819 58 A HN 0.426 nan 8.150 nan 0.000 0.442 59 I N 0.005 120.499 120.570 -0.127 0.000 2.179 59 I HA -0.246 3.923 4.170 -0.001 0.000 0.242 59 I C 1.814 177.853 176.117 -0.130 0.000 1.088 59 I CA 1.521 62.677 61.300 -0.241 0.000 1.357 59 I CB -0.407 37.358 38.000 -0.391 0.000 1.051 59 I HN 0.248 nan 8.210 nan 0.000 0.409 60 D N 0.812 121.160 120.400 -0.086 0.000 2.149 60 D HA -0.155 4.485 4.640 -0.001 0.000 0.198 60 D C 2.200 178.470 176.300 -0.050 0.000 0.990 60 D CA 1.398 55.369 54.000 -0.049 0.000 0.839 60 D CB -0.162 40.617 40.800 -0.036 0.000 0.948 60 D HN 0.366 nan 8.370 nan 0.000 0.460 61 I N 0.844 121.371 120.570 -0.071 0.000 2.193 61 I HA -0.179 3.991 4.170 -0.001 0.000 0.240 61 I C 2.421 178.484 176.117 -0.091 0.000 1.084 61 I CA 0.744 61.997 61.300 -0.078 0.000 1.365 61 I CB -0.268 37.675 38.000 -0.096 0.000 1.064 61 I HN -0.017 nan 8.210 nan 0.000 0.410 62 I N -1.055 119.434 120.570 -0.134 0.000 2.830 62 I HA -0.120 4.050 4.170 -0.001 0.000 0.263 62 I C 2.104 178.196 176.117 -0.042 0.000 1.230 62 I CA 1.391 62.598 61.300 -0.154 0.000 1.480 62 I CB -0.825 36.991 38.000 -0.306 0.000 1.095 62 I HN 0.193 nan 8.210 nan 0.000 0.455 63 T N -2.104 112.446 114.554 -0.006 0.000 3.144 63 T HA 0.442 4.792 4.350 -0.001 0.000 0.249 63 T C 1.529 176.244 174.700 0.025 0.000 1.089 63 T CA 0.229 62.357 62.100 0.046 0.000 0.989 63 T CB -0.025 68.895 68.868 0.087 0.000 0.992 63 T HN 0.732 nan 8.240 nan 0.000 0.540 64 G N 1.908 110.709 108.800 0.001 0.000 2.143 64 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.249 64 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.249 64 G C 0.724 175.625 174.900 0.002 0.000 0.981 64 G CA 0.401 45.502 45.100 0.002 0.000 0.665 64 G HN 0.578 nan 8.290 nan 0.000 0.528 65 K N -0.334 120.066 120.400 -0.000 0.000 2.432 65 K HA 0.153 4.472 4.320 -0.001 0.000 0.196 65 K C 0.462 177.059 176.600 -0.006 0.000 1.038 65 K CA 0.863 57.151 56.287 0.001 0.000 0.986 65 K CB 0.255 32.757 32.500 0.003 0.000 0.782 65 K HN 0.426 nan 8.250 nan 0.000 0.485 66 D N 0.183 120.576 120.400 -0.013 0.000 2.879 66 D HA 0.011 4.651 4.640 -0.001 0.000 0.236 66 D C -0.663 175.625 176.300 -0.020 0.000 1.171 66 D CA -0.725 53.264 54.000 -0.017 0.000 0.868 66 D CB 1.569 42.355 40.800 -0.023 0.000 1.598 66 D HN -0.035 nan 8.370 nan 0.000 0.497 67 D N 1.899 122.289 120.400 -0.017 0.000 2.349 67 D HA 0.059 4.699 4.640 -0.001 0.000 0.214 67 D C 0.366 176.654 176.300 -0.019 0.000 1.063 67 D CA -0.133 53.858 54.000 -0.015 0.000 0.847 67 D CB 0.093 40.887 40.800 -0.009 0.000 0.933 67 D HN 0.182 nan 8.370 nan 0.000 0.513 68 R N 0.040 120.525 120.500 -0.026 0.000 2.801 68 R HA 0.414 4.754 4.340 -0.001 0.000 0.273 68 R C -0.194 176.083 176.300 -0.039 0.000 1.080 68 R CA -0.482 55.600 56.100 -0.031 0.000 1.197 68 R CB 0.950 31.229 30.300 -0.035 0.000 1.109 68 R HN -0.086 nan 8.270 nan 0.000 0.535 69 V N 2.329 122.217 119.914 -0.043 0.000 2.532 69 V HA 0.193 4.312 4.120 -0.001 0.000 0.295 69 V C -0.295 175.751 176.094 -0.081 0.000 1.041 69 V CA -0.745 61.521 62.300 -0.056 0.000 0.926 69 V CB 1.531 33.328 31.823 -0.043 0.000 0.992 69 V HN 0.418 nan 8.190 nan 0.000 0.457 70 L N 6.162 127.320 121.223 -0.109 0.000 2.312 70 L HA 0.636 4.976 4.340 -0.001 0.000 0.281 70 L C -0.464 176.310 176.870 -0.161 0.000 1.070 70 L CA 0.420 55.176 54.840 -0.140 0.000 0.805 70 L CB 1.458 43.412 42.059 -0.176 0.000 1.174 70 L HN 0.431 nan 8.230 nan 0.000 0.434 71 V N 6.357 126.169 119.914 -0.170 0.000 2.487 71 V HA 0.478 4.598 4.120 -0.001 0.000 0.298 71 V C -0.389 175.569 176.094 -0.226 0.000 1.028 71 V CA -0.602 61.584 62.300 -0.191 0.000 0.860 71 V CB 1.623 33.359 31.823 -0.146 0.000 0.991 71 V HN 0.520 nan 8.190 nan 0.000 0.427 72 I N 5.361 125.765 120.570 -0.276 0.000 2.339 72 I HA 0.636 4.805 4.170 -0.001 0.000 0.290 72 I C -0.256 175.734 176.117 -0.213 0.000 0.994 72 I CA -0.563 60.557 61.300 -0.299 0.000 1.191 72 I CB 1.488 39.230 38.000 -0.428 0.000 1.343 72 I HN 0.414 nan 8.210 nan 0.000 0.458 73 V N 5.741 125.570 119.914 -0.143 0.000 2.817 73 V HA 0.958 5.078 4.120 -0.001 0.000 0.303 73 V C -0.391 175.687 176.094 -0.027 0.000 1.151 73 V CA 0.420 62.669 62.300 -0.085 0.000 0.929 73 V CB 1.586 33.396 31.823 -0.021 0.000 1.030 73 V HN 1.042 nan 8.190 nan 0.000 0.427 74 G N 6.194 114.933 108.800 -0.102 0.000 2.367 74 G HA2 0.380 4.339 3.960 -0.001 0.000 0.272 74 G HA3 0.380 4.339 3.960 -0.001 0.000 0.272 74 G C -3.529 171.170 174.900 -0.334 0.000 1.271 74 G CA -0.255 44.716 45.100 -0.215 0.000 0.893 74 G HN 0.646 nan 8.290 nan 0.000 0.485 75 P HA 0.247 nan 4.420 nan 0.000 0.268 75 P C 1.279 178.430 177.300 -0.248 0.000 1.205 75 P CA -0.083 62.821 63.100 -0.327 0.000 0.771 75 P CB 1.216 32.712 31.700 -0.340 0.000 0.858 76 C N 2.519 121.719 119.300 -0.166 0.000 2.385 76 C HA -0.112 4.347 4.460 -0.001 0.000 0.275 76 C C 1.069 176.035 174.990 -0.040 0.000 1.207 76 C CA 2.059 61.007 59.018 -0.116 0.000 1.760 76 C CB -1.344 26.369 27.740 -0.045 0.000 2.051 76 C HN 0.775 nan 8.230 nan 0.000 0.467 77 S N -1.627 114.071 115.700 -0.003 0.000 2.607 77 S HA 0.689 5.158 4.470 -0.001 0.000 0.273 77 S C -1.108 173.528 174.600 0.060 0.000 1.148 77 S CA -0.774 57.472 58.200 0.077 0.000 0.833 77 S CB 1.089 64.346 63.200 0.094 0.000 1.130 77 S HN 0.325 nan 8.310 nan 0.000 0.470 78 I N 2.881 123.504 120.570 0.087 0.000 2.339 78 I HA 0.368 4.538 4.170 -0.001 0.000 0.290 78 I C 1.141 177.314 176.117 0.094 0.000 0.994 78 I CA -0.678 60.652 61.300 0.051 0.000 1.191 78 I CB 1.290 39.308 38.000 0.030 0.000 1.343 78 I HN 0.961 nan 8.210 nan 0.000 0.458 79 H N 3.134 122.189 119.070 -0.025 0.000 2.885 79 H HA 0.240 4.795 4.556 -0.001 0.000 0.260 79 H C -0.540 174.776 175.328 -0.020 0.000 0.985 79 H CA -0.145 55.890 56.048 -0.022 0.000 1.210 79 H CB 0.808 30.553 29.762 -0.028 0.000 1.466 79 H HN 0.462 nan 8.280 nan 0.000 0.493 80 D N 0.700 120.845 120.400 -0.424 0.000 2.686 80 D HA 0.163 4.802 4.640 -0.001 0.000 0.249 80 D C 0.567 176.760 176.300 -0.180 0.000 1.260 80 D CA -0.621 53.184 54.000 -0.325 0.000 0.910 80 D CB 1.850 42.326 40.800 -0.540 0.000 1.323 80 D HN -0.014 nan 8.370 nan 0.000 0.561 81 L N 3.291 124.466 121.223 -0.080 0.000 2.141 81 L HA -0.042 4.297 4.340 -0.001 0.000 0.209 81 L C 1.873 178.731 176.870 -0.020 0.000 1.094 81 L CA 1.612 56.432 54.840 -0.033 0.000 0.763 81 L CB -0.192 41.863 42.059 -0.007 0.000 0.908 81 L HN 0.496 nan 8.230 nan 0.000 0.437 82 E N -0.998 119.198 120.200 -0.007 0.000 2.060 82 E HA -0.003 4.346 4.350 -0.001 0.000 0.189 82 E C 2.321 178.950 176.600 0.049 0.000 0.974 82 E CA 0.916 57.339 56.400 0.039 0.000 0.808 82 E CB -0.468 29.275 29.700 0.072 0.000 0.768 82 E HN 0.366 nan 8.360 nan 0.000 0.453 83 A N 1.601 124.417 122.820 -0.007 0.000 1.892 83 A HA -0.231 4.088 4.320 -0.001 0.000 0.218 83 A C 2.410 179.927 177.584 -0.112 0.000 1.188 83 A CA 2.195 54.128 52.037 -0.173 0.000 0.631 83 A CB -1.049 17.678 19.000 -0.455 0.000 0.822 83 A HN 0.295 nan 8.150 nan 0.000 0.447 84 A N -1.462 121.298 122.820 -0.100 0.000 1.902 84 A HA -0.184 4.136 4.320 -0.001 0.000 0.217 84 A C 2.146 179.738 177.584 0.014 0.000 1.181 84 A CA 2.121 54.127 52.037 -0.051 0.000 0.623 84 A CB -0.549 18.424 19.000 -0.044 0.000 0.818 84 A HN 0.515 nan 8.150 nan 0.000 0.443 85 Q N -0.514 119.292 119.800 0.010 0.000 2.096 85 Q HA -0.138 4.202 4.340 -0.001 0.000 0.204 85 Q C 2.143 178.146 176.000 0.005 0.000 0.982 85 Q CA 2.920 58.732 55.803 0.015 0.000 0.850 85 Q CB -0.658 28.088 28.738 0.013 0.000 0.901 85 Q HN 0.730 nan 8.270 nan 0.000 0.422 86 E N -0.663 119.544 120.200 0.012 0.000 2.031 86 E HA -0.235 4.115 4.350 -0.001 0.000 0.193 86 E C 1.801 178.340 176.600 -0.102 0.000 0.994 86 E CA 1.384 57.769 56.400 -0.025 0.000 0.800 86 E CB -1.395 28.333 29.700 0.046 0.000 0.752 86 E HN 0.637 nan 8.360 nan 0.000 0.447 87 Y N 1.016 121.200 120.300 -0.193 0.000 2.102 87 Y HA -0.176 4.373 4.550 -0.001 0.000 0.280 87 Y C 2.794 178.549 175.900 -0.242 0.000 1.178 87 Y CA 2.401 60.342 58.100 -0.265 0.000 1.146 87 Y CB -0.491 37.857 38.460 -0.186 0.000 0.968 87 Y HN 0.316 nan 8.280 nan 0.000 0.504 88 A N -0.426 122.420 122.820 0.043 0.000 1.933 88 A HA -0.160 4.159 4.320 -0.001 0.000 0.218 88 A C 2.030 179.546 177.584 -0.114 0.000 1.175 88 A CA 1.685 53.732 52.037 0.017 0.000 0.628 88 A CB -0.933 18.088 19.000 0.035 0.000 0.814 88 A HN 0.448 nan 8.150 nan 0.000 0.444 89 L N 0.043 121.184 121.223 -0.137 0.000 2.046 89 L HA -0.144 4.196 4.340 -0.001 0.000 0.208 89 L C 2.618 179.349 176.870 -0.231 0.000 1.077 89 L CA 1.758 56.507 54.840 -0.151 0.000 0.747 89 L CB -1.245 40.739 42.059 -0.125 0.000 0.896 89 L HN 0.402 nan 8.230 nan 0.000 0.432 90 R N -0.919 119.323 120.500 -0.431 0.000 2.083 90 R HA -0.197 4.143 4.340 -0.001 0.000 0.237 90 R C 2.119 178.194 176.300 -0.375 0.000 1.137 90 R CA 1.319 57.058 56.100 -0.601 0.000 0.951 90 R CB -0.787 28.637 30.300 -1.461 0.000 0.851 90 R HN 0.218 nan 8.270 nan 0.000 0.434 91 L N 1.568 122.529 121.223 -0.437 0.000 2.093 91 L HA -0.109 4.230 4.340 -0.001 0.000 0.208 91 L C 2.184 179.046 176.870 -0.013 0.000 1.085 91 L CA 1.814 56.608 54.840 -0.076 0.000 0.755 91 L CB -0.426 41.567 42.059 -0.109 0.000 0.904 91 L HN -0.105 nan 8.230 nan 0.000 0.435 92 K N 0.652 121.015 120.400 -0.061 0.000 2.057 92 K HA -0.216 4.104 4.320 -0.001 0.000 0.206 92 K C 2.180 178.771 176.600 -0.014 0.000 1.050 92 K CA 1.917 58.187 56.287 -0.030 0.000 0.935 92 K CB -0.440 32.038 32.500 -0.038 0.000 0.715 92 K HN 0.459 nan 8.250 nan 0.000 0.439 93 K N 0.404 120.790 120.400 -0.023 0.000 2.032 93 K HA -0.140 4.179 4.320 -0.001 0.000 0.209 93 K C 2.050 178.672 176.600 0.036 0.000 1.048 93 K CA 1.438 57.727 56.287 0.002 0.000 0.927 93 K CB -0.379 32.117 32.500 -0.007 0.000 0.712 93 K HN 0.258 nan 8.250 nan 0.000 0.441 94 L N 1.519 122.794 121.223 0.086 0.000 2.083 94 L HA -0.157 4.183 4.340 -0.001 0.000 0.209 94 L C 2.700 179.593 176.870 0.038 0.000 1.083 94 L CA 1.946 56.841 54.840 0.091 0.000 0.752 94 L CB -0.538 41.623 42.059 0.169 0.000 0.899 94 L HN 0.474 nan 8.230 nan 0.000 0.433 95 S N -0.792 114.926 115.700 0.031 0.000 2.387 95 S HA -0.188 4.282 4.470 -0.001 0.000 0.226 95 S C 1.509 176.109 174.600 -0.001 0.000 1.026 95 S CA 1.249 59.454 58.200 0.007 0.000 0.972 95 S CB -0.215 62.986 63.200 0.002 0.000 0.814 95 S HN 0.423 nan 8.310 nan 0.000 0.477 96 D N 1.344 121.745 120.400 0.002 0.000 2.149 96 D HA -0.115 4.525 4.640 -0.001 0.000 0.198 96 D C 1.917 178.216 176.300 -0.002 0.000 0.990 96 D CA 1.454 55.453 54.000 -0.002 0.000 0.839 96 D CB -0.428 40.371 40.800 -0.001 0.000 0.948 96 D HN 0.753 nan 8.370 nan 0.000 0.460 97 E N -0.229 119.972 120.200 0.002 0.000 2.158 97 E HA -0.026 4.324 4.350 -0.001 0.000 0.191 97 E C 1.406 178.002 176.600 -0.008 0.000 0.982 97 E CA 0.390 56.789 56.400 -0.001 0.000 0.823 97 E CB 0.170 29.872 29.700 0.004 0.000 0.766 97 E HN 0.216 nan 8.360 nan 0.000 0.468 98 L N 0.632 121.848 121.223 -0.010 0.000 2.769 98 L HA 0.116 4.455 4.340 -0.001 0.000 0.240 98 L C 1.794 178.653 176.870 -0.019 0.000 1.163 98 L CA -0.108 54.722 54.840 -0.017 0.000 0.962 98 L CB 0.523 42.567 42.059 -0.025 0.000 1.258 98 L HN -0.046 nan 8.230 nan 0.000 0.513 99 K N -1.290 119.101 120.400 -0.015 0.000 2.362 99 K HA 0.043 4.363 4.320 -0.001 0.000 0.200 99 K C 1.805 178.394 176.600 -0.017 0.000 1.046 99 K CA 0.819 57.095 56.287 -0.018 0.000 0.952 99 K CB -1.453 31.038 32.500 -0.015 0.000 0.753 99 K HN 0.418 nan 8.250 nan 0.000 0.466 100 G N 0.410 109.201 108.800 -0.015 0.000 2.470 100 G HA2 -0.147 3.812 3.960 -0.001 0.000 0.220 100 G HA3 -0.147 3.812 3.960 -0.001 0.000 0.220 100 G C 1.444 176.334 174.900 -0.017 0.000 1.121 100 G CA 1.132 46.224 45.100 -0.014 0.000 0.766 100 G HN 0.735 nan 8.290 nan 0.000 0.553 101 D N -0.543 119.845 120.400 -0.019 0.000 2.455 101 D HA 0.583 5.222 4.640 -0.001 0.000 0.228 101 D C 0.764 177.047 176.300 -0.029 0.000 1.070 101 D CA 0.044 54.031 54.000 -0.022 0.000 0.881 101 D CB 0.243 41.031 40.800 -0.021 0.000 1.087 101 D HN 0.252 nan 8.370 nan 0.000 0.498 102 L N 0.267 121.471 121.223 -0.033 0.000 2.422 102 L HA 0.566 4.906 4.340 -0.001 0.000 0.264 102 L C -0.760 176.082 176.870 -0.046 0.000 0.984 102 L CA -0.924 53.890 54.840 -0.043 0.000 0.819 102 L CB 2.545 44.577 42.059 -0.047 0.000 1.330 102 L HN 0.088 nan 8.230 nan 0.000 0.410 103 S N 2.876 118.541 115.700 -0.058 0.000 2.437 103 S HA 0.713 5.182 4.470 -0.001 0.000 0.305 103 S C -0.752 173.803 174.600 -0.074 0.000 1.109 103 S CA -0.421 57.744 58.200 -0.059 0.000 1.099 103 S CB 0.587 63.749 63.200 -0.063 0.000 1.004 103 S HN 0.444 nan 8.310 nan 0.000 0.475 104 I N 5.504 126.036 120.570 -0.062 0.000 2.433 104 I HA 0.524 4.694 4.170 -0.001 0.000 0.292 104 I C -0.664 175.411 176.117 -0.069 0.000 1.001 104 I CA -0.638 60.622 61.300 -0.066 0.000 1.119 104 I CB 1.691 39.669 38.000 -0.036 0.000 1.289 104 I HN 0.553 nan 8.210 nan 0.000 0.438 105 I N 6.112 126.624 120.570 -0.097 0.000 2.545 105 I HA 0.383 4.553 4.170 -0.001 0.000 0.292 105 I C -0.415 175.654 176.117 -0.080 0.000 1.040 105 I CA -0.686 60.555 61.300 -0.098 0.000 1.068 105 I CB 2.311 40.218 38.000 -0.156 0.000 1.251 105 I HN 0.540 nan 8.210 nan 0.000 0.424 106 M N 5.839 125.411 119.600 -0.046 0.000 2.146 106 M HA 0.386 4.866 4.480 -0.001 0.000 0.357 106 M C -0.336 175.936 176.300 -0.048 0.000 1.261 106 M CA -0.220 55.071 55.300 -0.015 0.000 1.106 106 M CB 0.489 33.099 32.600 0.016 0.000 1.612 106 M HN 0.441 nan 8.290 nan 0.000 0.470 107 R N 4.018 124.470 120.500 -0.080 0.000 2.421 107 R HA 0.341 4.681 4.340 -0.001 0.000 0.305 107 R C -0.578 175.697 176.300 -0.040 0.000 1.039 107 R CA -0.048 56.002 56.100 -0.084 0.000 1.003 107 R CB 0.137 30.173 30.300 -0.440 0.000 0.959 107 R HN 0.717 nan 8.270 nan 0.000 0.427 108 A N 4.538 127.438 122.820 0.133 0.000 2.709 108 A HA 0.337 4.657 4.320 -0.001 0.000 0.332 108 A C -1.418 176.395 177.584 0.383 0.000 1.241 108 A CA -0.568 51.556 52.037 0.145 0.000 0.782 108 A CB 0.359 19.331 19.000 -0.047 0.000 1.109 108 A HN 0.559 nan 8.150 nan 0.000 0.472 109 Y N 1.870 122.221 120.300 0.084 0.000 2.335 109 Y HA 0.645 5.194 4.550 -0.001 0.000 0.338 109 Y C 0.067 176.023 175.900 0.093 0.000 0.977 109 Y CA -1.221 56.937 58.100 0.095 0.000 1.114 109 Y CB 1.374 39.866 38.460 0.053 0.000 1.182 109 Y HN 0.489 nan 8.280 nan 0.000 0.463 122 L N 0.645 121.891 121.223 0.038 0.000 2.156 122 L HA 0.353 4.693 4.340 -0.001 0.000 0.208 122 L C 2.511 179.373 176.870 -0.013 0.000 1.095 122 L CA 1.583 56.432 54.840 0.015 0.000 0.770 122 L CB -0.352 41.717 42.059 0.016 0.000 0.914 122 L HN 0.523 nan 8.230 nan 0.000 0.439 123 I N -0.342 120.215 120.570 -0.022 0.000 2.286 123 I HA -0.238 3.931 4.170 -0.001 0.000 0.245 123 I C 2.266 178.376 176.117 -0.010 0.000 1.104 123 I CA 1.288 62.557 61.300 -0.052 0.000 1.397 123 I CB -0.388 37.566 38.000 -0.076 0.000 1.072 123 I HN 0.429 nan 8.210 nan 0.000 0.417 124 N N 0.222 118.943 118.700 0.034 0.000 2.354 124 N HA -0.140 4.600 4.740 -0.001 0.000 0.179 124 N C -0.065 175.546 175.510 0.169 0.000 1.021 124 N CA 1.160 54.275 53.050 0.108 0.000 0.887 124 N CB 0.371 38.935 38.487 0.129 0.000 0.974 124 N HN 0.222 nan 8.380 nan 0.000 0.437 125 D N -0.534 119.899 120.400 0.055 0.000 2.934 125 D HA 0.195 4.835 4.640 -0.001 0.000 0.249 125 D C -1.921 174.337 176.300 -0.071 0.000 1.293 125 D CA -1.100 52.861 54.000 -0.065 0.000 0.812 125 D CB 1.038 41.706 40.800 -0.219 0.000 1.439 125 D HN 0.023 nan 8.370 nan 0.000 0.555 126 P HA -0.054 nan 4.420 nan 0.000 0.218 126 P C 0.773 178.053 177.300 -0.033 0.000 1.149 126 P CA 1.285 64.367 63.100 -0.031 0.000 0.817 126 P CB 0.255 31.937 31.700 -0.030 0.000 0.785 127 D N 0.094 120.460 120.400 -0.057 0.000 2.142 127 D HA 0.472 5.111 4.640 -0.001 0.000 0.293 127 D C 1.189 177.448 176.300 -0.068 0.000 1.133 127 D CA 1.094 55.063 54.000 -0.053 0.000 1.023 127 D CB -0.502 40.262 40.800 -0.059 0.000 1.111 127 D HN 0.198 nan 8.370 nan 0.000 0.424 128 V N -3.655 116.208 119.914 -0.086 0.000 4.646 128 V HA 0.583 4.703 4.120 -0.001 0.000 0.314 128 V C 1.435 177.446 176.094 -0.138 0.000 1.636 128 V CA 1.019 63.235 62.300 -0.140 0.000 0.841 128 V CB -0.368 31.385 31.823 -0.116 0.000 1.163 128 V HN 2.157 nan 8.190 nan 0.000 0.461 129 N N -0.339 118.285 118.700 -0.126 0.000 2.727 129 N HA 0.286 5.025 4.740 -0.001 0.000 0.251 129 N C 1.388 176.794 175.510 -0.173 0.000 1.040 129 N CA 2.062 55.045 53.050 -0.111 0.000 0.712 129 N CB -2.340 36.105 38.487 -0.069 0.000 0.912 129 N HN 2.843 nan 8.380 nan 0.000 0.545 130 N N -2.986 115.540 118.700 -0.290 0.000 2.701 130 N HA 0.210 4.949 4.740 -0.001 0.000 0.252 130 N C 1.058 176.194 175.510 -0.624 0.000 1.002 130 N CA 2.392 55.106 53.050 -0.561 0.000 0.758 130 N CB -2.159 36.224 38.487 -0.173 0.000 0.937 130 N HN 2.628 nan 8.380 nan 0.000 0.538 131 T N -0.677 113.590 114.554 -0.477 0.000 3.364 131 T HA 0.572 4.922 4.350 -0.001 0.000 0.323 131 T C 0.136 174.711 174.700 -0.209 0.000 1.323 131 T CA -0.494 61.468 62.100 -0.229 0.000 1.073 131 T CB -0.851 67.936 68.868 -0.136 0.000 1.150 131 T HN 0.498 nan 8.240 nan 0.000 0.727 132 F N 2.651 122.593 119.950 -0.013 0.000 2.659 132 F HA 0.156 4.682 4.527 -0.001 0.000 0.360 132 F C 1.219 177.007 175.800 -0.021 0.000 1.218 132 F CA -0.526 57.463 58.000 -0.017 0.000 1.317 132 F CB -0.022 38.968 39.000 -0.017 0.000 1.697 132 F HN 0.622 nan 8.300 nan 0.000 0.637 133 N N 2.092 120.839 118.700 0.079 0.000 2.918 133 N HA 0.203 4.943 4.740 -0.001 0.000 0.247 133 N C 1.344 176.869 175.510 0.025 0.000 1.117 133 N CA -0.173 52.904 53.050 0.045 0.000 1.005 133 N CB 0.297 38.788 38.487 0.008 0.000 1.297 133 N HN 0.467 nan 8.380 nan 0.000 0.513 134 I N 1.491 122.082 120.570 0.035 0.000 2.361 134 I HA -0.251 3.919 4.170 -0.001 0.000 0.251 134 I C 1.910 177.991 176.117 -0.060 0.000 1.133 134 I CA 0.619 61.914 61.300 -0.009 0.000 1.413 134 I CB -0.156 37.838 38.000 -0.011 0.000 1.073 134 I HN 0.608 nan 8.210 nan 0.000 0.424 135 N N 1.157 119.832 118.700 -0.041 0.000 2.142 135 N HA -0.216 4.524 4.740 -0.001 0.000 0.186 135 N C 1.858 177.334 175.510 -0.058 0.000 1.023 135 N CA 1.220 54.236 53.050 -0.057 0.000 0.852 135 N CB -0.157 38.318 38.487 -0.020 0.000 0.998 135 N HN 0.408 nan 8.380 nan 0.000 0.424 136 K N 0.820 121.197 120.400 -0.038 0.000 2.155 136 K HA -0.036 4.283 4.320 -0.001 0.000 0.203 136 K C 1.985 178.554 176.600 -0.051 0.000 1.052 136 K CA 1.246 57.512 56.287 -0.035 0.000 0.948 136 K CB -0.219 32.268 32.500 -0.023 0.000 0.728 136 K HN 0.061 nan 8.250 nan 0.000 0.448 137 G N 1.402 110.167 108.800 -0.059 0.000 2.402 137 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.216 137 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.216 137 G C 1.456 176.284 174.900 -0.120 0.000 1.162 137 G CA 0.695 45.751 45.100 -0.073 0.000 0.777 137 G HN 0.209 nan 8.290 nan 0.000 0.539 138 L N -0.208 120.914 121.223 -0.168 0.000 2.056 138 L HA -0.112 4.228 4.340 -0.001 0.000 0.207 138 L C 3.147 179.923 176.870 -0.158 0.000 1.078 138 L CA 1.180 55.876 54.840 -0.240 0.000 0.749 138 L CB -0.498 41.308 42.059 -0.421 0.000 0.901 138 L HN 0.256 nan 8.230 nan 0.000 0.433 139 Q N -0.413 119.325 119.800 -0.103 0.000 2.096 139 Q HA -0.178 4.162 4.340 -0.001 0.000 0.204 139 Q C 2.411 178.377 176.000 -0.058 0.000 0.982 139 Q CA 1.985 57.755 55.803 -0.055 0.000 0.850 139 Q CB -0.091 28.628 28.738 -0.032 0.000 0.901 139 Q HN 0.481 nan 8.270 nan 0.000 0.422 140 S N 0.763 116.424 115.700 -0.065 0.000 2.371 140 S HA -0.091 4.379 4.470 -0.001 0.000 0.224 140 S C 2.093 176.643 174.600 -0.084 0.000 1.029 140 S CA 0.841 59.010 58.200 -0.052 0.000 0.978 140 S CB -0.257 62.918 63.200 -0.042 0.000 0.833 140 S HN 0.471 nan 8.310 nan 0.000 0.466 141 A N 2.075 124.806 122.820 -0.147 0.000 1.902 141 A HA -0.122 4.197 4.320 -0.001 0.000 0.217 141 A C 2.135 179.499 177.584 -0.367 0.000 1.181 141 A CA 1.686 53.554 52.037 -0.281 0.000 0.623 141 A CB -0.539 18.246 19.000 -0.359 0.000 0.818 141 A HN 0.432 nan 8.150 nan 0.000 0.443 142 R N -1.135 119.224 120.500 -0.234 0.000 2.090 142 R HA -0.155 4.185 4.340 -0.001 0.000 0.228 142 R C 2.376 178.673 176.300 -0.005 0.000 1.110 142 R CA 1.622 57.639 56.100 -0.137 0.000 0.973 142 R CB -0.237 30.037 30.300 -0.043 0.000 0.869 142 R HN 0.506 nan 8.270 nan 0.000 0.440 143 Q N 0.761 120.558 119.800 -0.005 0.000 2.084 143 Q HA -0.165 4.174 4.340 -0.001 0.000 0.202 143 Q C 1.925 177.964 176.000 0.066 0.000 0.978 143 Q CA 1.587 57.409 55.803 0.031 0.000 0.844 143 Q CB -0.372 28.374 28.738 0.013 0.000 0.898 143 Q HN 0.375 nan 8.270 nan 0.000 0.426 144 L N -0.543 120.720 121.223 0.067 0.000 1.989 144 L HA -0.150 4.189 4.340 -0.001 0.000 0.211 144 L C 1.867 178.913 176.870 0.294 0.000 1.071 144 L CA 1.862 56.790 54.840 0.146 0.000 0.749 144 L CB -0.762 41.384 42.059 0.145 0.000 0.890 144 L HN 0.210 nan 8.230 nan 0.000 0.431 145 F N -0.844 119.115 119.950 0.015 0.000 2.134 145 F HA -0.124 4.402 4.527 -0.001 0.000 0.299 145 F C 2.572 178.382 175.800 0.017 0.000 1.097 145 F CA 1.146 59.156 58.000 0.017 0.000 1.264 145 F CB -1.479 37.533 39.000 0.020 0.000 1.001 145 F HN -0.063 nan 8.300 nan 0.000 0.479 146 V N 0.443 120.485 119.914 0.213 0.000 2.343 146 V HA -0.312 3.808 4.120 -0.001 0.000 0.247 146 V C 1.949 178.094 176.094 0.085 0.000 1.051 146 V CA 2.103 64.475 62.300 0.121 0.000 1.036 146 V CB -0.838 31.038 31.823 0.088 0.000 0.654 146 V HN 0.375 nan 8.190 nan 0.000 0.451 147 N N -0.253 118.497 118.700 0.084 0.000 2.166 147 N HA -0.156 4.584 4.740 -0.001 0.000 0.186 147 N C 1.649 177.184 175.510 0.042 0.000 1.019 147 N CA 0.832 53.913 53.050 0.053 0.000 0.856 147 N CB -0.128 38.388 38.487 0.049 0.000 0.993 147 N HN 0.244 nan 8.380 nan 0.000 0.426 148 L N 0.767 122.021 121.223 0.052 0.000 2.027 148 L HA -0.118 4.222 4.340 -0.001 0.000 0.206 148 L C 2.677 179.548 176.870 0.002 0.000 1.074 148 L CA 1.725 56.577 54.840 0.019 0.000 0.745 148 L CB -1.429 40.630 42.059 -0.000 0.000 0.898 148 L HN 0.334 nan 8.230 nan 0.000 0.433 149 T N -4.212 110.345 114.554 0.005 0.000 3.023 149 T HA -0.104 4.246 4.350 -0.001 0.000 0.266 149 T C 1.724 176.429 174.700 0.008 0.000 1.093 149 T CA 0.987 63.085 62.100 -0.004 0.000 1.129 149 T CB -0.508 68.360 68.868 -0.001 0.000 0.899 149 T HN 0.158 nan 8.240 nan 0.000 0.491 150 N N 2.008 120.719 118.700 0.019 0.000 2.289 150 N HA -0.020 4.720 4.740 -0.001 0.000 0.184 150 N C 1.475 176.989 175.510 0.007 0.000 1.016 150 N CA 0.950 54.009 53.050 0.016 0.000 0.872 150 N CB -0.599 37.901 38.487 0.021 0.000 0.973 150 N HN 0.795 nan 8.380 nan 0.000 0.433 151 I N -4.196 116.375 120.570 0.002 0.000 3.810 151 I HA 0.452 4.622 4.170 -0.001 0.000 0.322 151 I C 1.028 177.141 176.117 -0.008 0.000 1.288 151 I CA 0.242 61.540 61.300 -0.004 0.000 1.143 151 I CB -0.136 37.859 38.000 -0.009 0.000 1.012 151 I HN 0.035 nan 8.210 nan 0.000 0.423 152 G N 1.441 110.237 108.800 -0.006 0.000 2.141 152 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.242 152 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.242 152 G C -0.334 174.557 174.900 -0.014 0.000 0.982 152 G CA 0.081 45.175 45.100 -0.009 0.000 0.662 152 G HN 0.343 nan 8.290 nan 0.000 0.527 153 L N 1.836 123.048 121.223 -0.018 0.000 2.262 153 L HA 0.655 4.995 4.340 -0.001 0.000 0.288 153 L C -2.083 174.763 176.870 -0.040 0.000 1.035 153 L CA -2.759 52.067 54.840 -0.024 0.000 0.820 153 L CB 1.054 43.101 42.059 -0.019 0.000 1.204 153 L HN -0.114 nan 8.230 nan 0.000 0.424 154 P HA 0.323 nan 4.420 nan 0.000 0.275 154 P C -0.803 176.440 177.300 -0.095 0.000 1.228 154 P CA -0.198 62.862 63.100 -0.066 0.000 0.786 154 P CB 0.777 32.447 31.700 -0.049 0.000 0.927 155 I N -1.136 119.342 120.570 -0.154 0.000 2.693 155 I HA 0.915 5.085 4.170 -0.001 0.000 0.303 155 I C -0.415 175.595 176.117 -0.178 0.000 1.025 155 I CA -0.994 60.174 61.300 -0.219 0.000 1.086 155 I CB 2.503 40.249 38.000 -0.422 0.000 1.268 155 I HN 0.352 nan 8.210 nan 0.000 0.440 156 G N 2.191 110.951 108.800 -0.067 0.000 2.591 156 G HA2 0.602 4.561 3.960 -0.001 0.000 0.306 156 G HA3 0.602 4.561 3.960 -0.001 0.000 0.306 156 G C -1.680 173.343 174.900 0.204 0.000 1.334 156 G CA -0.533 44.687 45.100 0.200 0.000 0.981 156 G HN 0.689 nan 8.290 nan 0.000 0.491 157 S N -0.589 115.166 115.700 0.093 0.000 2.564 157 S HA 0.550 5.020 4.470 -0.001 0.000 0.274 157 S C -0.723 173.637 174.600 -0.400 0.000 1.124 157 S CA -0.452 57.696 58.200 -0.086 0.000 0.869 157 S CB 2.058 65.285 63.200 0.045 0.000 1.105 157 S HN 0.542 nan 8.310 nan 0.000 0.472 158 E N 3.225 122.858 120.200 -0.945 0.000 2.265 158 E HA 0.218 4.567 4.350 -0.001 0.000 0.272 158 E C -0.380 176.044 176.600 -0.293 0.000 1.067 158 E CA -0.058 55.924 56.400 -0.696 0.000 0.900 158 E CB 0.445 29.671 29.700 -0.790 0.000 1.017 158 E HN 0.504 nan 8.360 nan 0.000 0.431 159 M N 5.261 124.756 119.600 -0.174 0.000 2.077 159 M HA 0.250 4.729 4.480 -0.001 0.000 0.348 159 M C 0.283 176.593 176.300 0.017 0.000 1.252 159 M CA -0.228 55.048 55.300 -0.038 0.000 1.096 159 M CB 1.031 33.640 32.600 0.015 0.000 1.568 159 M HN 0.474 nan 8.290 nan 0.000 0.456 160 L N 1.847 123.094 121.223 0.040 0.000 2.435 160 L HA 0.365 4.704 4.340 -0.001 0.000 0.195 160 L C 0.543 177.537 176.870 0.206 0.000 1.072 160 L CA 1.556 56.452 54.840 0.093 0.000 0.833 160 L CB 0.005 42.078 42.059 0.024 0.000 1.081 160 L HN 0.629 nan 8.230 nan 0.000 0.485 161 D N -0.711 119.749 120.400 0.100 0.000 2.304 161 D HA 0.090 4.730 4.640 -0.001 0.000 0.247 161 D C 0.593 176.909 176.300 0.027 0.000 1.089 161 D CA 0.657 54.697 54.000 0.067 0.000 0.910 161 D CB 1.823 42.651 40.800 0.047 0.000 1.199 161 D HN 0.330 nan 8.370 nan 0.000 0.426 162 T N 0.430 114.969 114.554 -0.026 0.000 3.086 162 T HA 0.192 4.542 4.350 -0.001 0.000 0.250 162 T C 1.722 176.446 174.700 0.040 0.000 1.074 162 T CA 0.028 62.102 62.100 -0.042 0.000 0.988 162 T CB -0.086 68.713 68.868 -0.115 0.000 0.988 162 T HN 0.441 nan 8.240 nan 0.000 0.530 163 I N 1.211 121.828 120.570 0.079 0.000 3.883 163 I HA 0.036 4.206 4.170 -0.001 0.000 0.305 163 I C 2.658 178.907 176.117 0.219 0.000 1.247 163 I CA 0.614 61.995 61.300 0.135 0.000 1.350 163 I CB 0.117 38.205 38.000 0.146 0.000 1.194 163 I HN 0.325 nan 8.210 nan 0.000 0.441 164 S N 2.005 117.814 115.700 0.182 0.000 2.383 164 S HA -0.049 4.421 4.470 -0.001 0.000 0.229 164 S C -0.480 174.267 174.600 0.245 0.000 1.030 164 S CA 0.959 59.290 58.200 0.219 0.000 1.002 164 S CB -1.746 61.487 63.200 0.055 0.000 0.829 164 S HN 0.174 nan 8.310 nan 0.000 0.467 165 P HA -0.078 nan 4.420 nan 0.000 0.218 165 P C 1.626 179.030 177.300 0.173 0.000 1.148 165 P CA 1.126 64.339 63.100 0.188 0.000 0.822 165 P CB -0.202 31.594 31.700 0.160 0.000 0.784 166 Q N -1.674 118.197 119.800 0.119 0.000 2.248 166 Q HA -0.196 4.144 4.340 -0.001 0.000 0.208 166 Q C 1.825 177.801 176.000 -0.040 0.000 0.984 166 Q CA 1.652 57.457 55.803 0.003 0.000 0.875 166 Q CB -0.776 27.890 28.738 -0.119 0.000 0.910 166 Q HN 0.479 nan 8.270 nan 0.000 0.433 167 Y N -1.338 118.988 120.300 0.044 0.000 2.475 167 Y HA -0.063 4.487 4.550 -0.001 0.000 0.289 167 Y C 1.741 177.657 175.900 0.027 0.000 1.121 167 Y CA 0.456 58.569 58.100 0.022 0.000 1.257 167 Y CB 0.529 38.983 38.460 -0.010 0.000 1.026 167 Y HN 0.031 nan 8.280 nan 0.000 0.555 168 L N -2.225 119.123 121.223 0.209 0.000 2.948 168 L HA 0.354 4.694 4.340 -0.001 0.000 0.259 168 L C 2.110 179.130 176.870 0.251 0.000 1.136 168 L CA 0.636 55.593 54.840 0.196 0.000 0.959 168 L CB -1.174 40.972 42.059 0.145 0.000 1.370 168 L HN 0.067 nan 8.230 nan 0.000 0.552 169 A N 1.154 124.118 122.820 0.239 0.000 1.978 169 A HA -0.214 4.106 4.320 -0.001 0.000 0.220 169 A C 1.764 179.499 177.584 0.251 0.000 1.170 169 A CA 1.863 54.083 52.037 0.305 0.000 0.636 169 A CB -0.471 18.740 19.000 0.351 0.000 0.810 169 A HN 0.568 nan 8.150 nan 0.000 0.448 170 D N 0.222 120.730 120.400 0.180 0.000 2.311 170 D HA -0.135 4.505 4.640 -0.001 0.000 0.212 170 D C 1.326 177.700 176.300 0.122 0.000 0.972 170 D CA 0.937 55.022 54.000 0.141 0.000 0.887 170 D CB -0.443 40.420 40.800 0.105 0.000 0.915 170 D HN 0.519 nan 8.370 nan 0.000 0.497 171 L N 0.098 121.403 121.223 0.137 0.000 2.640 171 L HA 0.184 4.524 4.340 -0.001 0.000 0.230 171 L C 0.277 177.128 176.870 -0.032 0.000 1.123 171 L CA -0.206 54.690 54.840 0.093 0.000 0.900 171 L CB 0.853 43.022 42.059 0.183 0.000 1.146 171 L HN -0.197 nan 8.230 nan 0.000 0.484 172 V N -0.681 119.174 119.914 -0.098 0.000 2.539 172 V HA 0.206 4.325 4.120 -0.001 0.000 0.292 172 V C 0.838 176.668 176.094 -0.440 0.000 1.045 172 V CA -0.003 62.076 62.300 -0.368 0.000 0.945 172 V CB 1.724 33.169 31.823 -0.630 0.000 0.993 172 V HN 0.118 nan 8.190 nan 0.000 0.464 173 S N 3.164 118.661 115.700 -0.338 0.000 2.559 173 S HA 0.379 4.849 4.470 -0.001 0.000 0.226 173 S C -0.329 174.264 174.600 -0.012 0.000 1.000 173 S CA -0.022 58.104 58.200 -0.123 0.000 0.948 173 S CB 0.138 63.328 63.200 -0.018 0.000 0.870 173 S HN 0.659 nan 8.310 nan 0.000 0.497 174 F N 0.260 119.964 119.950 -0.410 0.000 2.688 174 F HA 0.611 5.137 4.527 -0.001 0.000 0.308 174 F C -1.018 174.686 175.800 -0.161 0.000 1.117 174 F CA -0.489 57.454 58.000 -0.095 0.000 0.976 174 F CB 0.528 39.536 39.000 0.013 0.000 1.291 174 F HN -0.046 nan 8.300 nan 0.000 0.439 175 G N 2.202 110.448 108.800 -0.924 0.000 2.620 175 G HA2 0.802 4.762 3.960 -0.001 0.000 0.301 175 G HA3 0.802 4.762 3.960 -0.001 0.000 0.301 175 G C -2.199 172.111 174.900 -0.984 0.000 1.347 175 G CA -0.526 44.187 45.100 -0.644 0.000 0.971 175 G HN 1.136 nan 8.290 nan 0.000 0.488 176 A N 1.696 124.197 122.820 -0.532 0.000 2.356 176 A HA 0.722 5.042 4.320 -0.001 0.000 0.310 176 A C -0.651 176.732 177.584 -0.334 0.000 1.075 176 A CA -0.591 51.225 52.037 -0.368 0.000 0.746 176 A CB 1.071 20.082 19.000 0.020 0.000 1.221 176 A HN 0.543 nan 8.150 nan 0.000 0.443 177 I N 2.679 123.000 120.570 -0.415 0.000 2.342 177 I HA 0.317 4.487 4.170 -0.001 0.000 0.291 177 I C 1.241 177.263 176.117 -0.158 0.000 1.010 177 I CA -0.124 60.996 61.300 -0.301 0.000 1.308 177 I CB 0.544 38.313 38.000 -0.385 0.000 1.400 177 I HN 0.768 nan 8.210 nan 0.000 0.488 178 G N 4.085 112.808 108.800 -0.128 0.000 2.636 178 G HA2 0.298 4.258 3.960 -0.001 0.000 0.246 178 G HA3 0.298 4.258 3.960 -0.001 0.000 0.246 178 G C 0.906 175.784 174.900 -0.036 0.000 1.216 178 G CA 0.118 45.183 45.100 -0.057 0.000 0.854 178 G HN 0.792 nan 8.290 nan 0.000 0.572 179 A N 0.326 123.147 122.820 0.002 0.000 2.121 179 A HA 0.008 4.327 4.320 -0.001 0.000 0.218 179 A C 2.550 180.129 177.584 -0.008 0.000 1.154 179 A CA 1.246 53.291 52.037 0.014 0.000 0.679 179 A CB -0.131 18.888 19.000 0.031 0.000 0.795 179 A HN 0.459 nan 8.150 nan 0.000 0.458 180 R N -0.734 119.746 120.500 -0.033 0.000 2.236 180 R HA -0.007 4.332 4.340 -0.001 0.000 0.208 180 R C 1.771 178.024 176.300 -0.078 0.000 1.036 180 R CA 1.543 57.617 56.100 -0.044 0.000 1.001 180 R CB -0.998 29.277 30.300 -0.042 0.000 0.896 180 R HN 0.938 nan 8.270 nan 0.000 0.464 181 T N -5.431 109.048 114.554 -0.125 0.000 3.058 181 T HA 0.099 4.449 4.350 -0.001 0.000 0.278 181 T C 1.521 176.170 174.700 -0.085 0.000 0.974 181 T CA 0.244 62.216 62.100 -0.213 0.000 0.893 181 T CB 0.466 68.944 68.868 -0.649 0.000 1.138 181 T HN 0.103 nan 8.240 nan 0.000 0.529 182 T N 3.050 117.610 114.554 0.009 0.000 2.759 182 T HA -0.090 4.259 4.350 -0.001 0.000 0.269 182 T C 1.494 176.197 174.700 0.004 0.000 1.042 182 T CA 1.587 63.747 62.100 0.099 0.000 1.140 182 T CB -0.224 68.690 68.868 0.075 0.000 0.864 182 T HN 0.609 nan 8.240 nan 0.000 0.455 183 E N 0.986 121.177 120.200 -0.015 0.000 2.489 183 E HA 0.127 4.476 4.350 -0.001 0.000 0.193 183 E C 0.703 177.292 176.600 -0.019 0.000 1.057 183 E CA -0.243 56.136 56.400 -0.035 0.000 0.866 183 E CB 0.251 29.933 29.700 -0.030 0.000 0.916 183 E HN 0.196 nan 8.360 nan 0.000 0.500 184 S N 1.297 117.008 115.700 0.018 0.000 2.465 184 S HA -0.033 4.436 4.470 -0.001 0.000 0.280 184 S C 1.062 175.682 174.600 0.033 0.000 1.232 184 S CA -0.338 57.899 58.200 0.062 0.000 1.066 184 S CB 1.209 64.528 63.200 0.199 0.000 0.929 184 S HN 0.102 nan 8.310 nan 0.000 0.494 185 Q N 4.863 124.644 119.800 -0.033 0.000 2.112 185 Q HA -0.139 4.201 4.340 -0.001 0.000 0.206 185 Q C 1.596 177.489 176.000 -0.180 0.000 0.987 185 Q CA 2.257 57.997 55.803 -0.106 0.000 0.858 185 Q CB -0.411 28.271 28.738 -0.093 0.000 0.905 185 Q HN 0.933 nan 8.270 nan 0.000 0.420 186 L N -1.005 120.120 121.223 -0.162 0.000 2.042 186 L HA -0.214 4.125 4.340 -0.001 0.000 0.210 186 L C 2.217 178.841 176.870 -0.410 0.000 1.076 186 L CA 1.695 56.341 54.840 -0.323 0.000 0.749 186 L CB -0.688 41.177 42.059 -0.324 0.000 0.893 186 L HN 0.366 nan 8.230 nan 0.000 0.432 187 H N -0.292 118.697 119.070 -0.134 0.000 2.395 187 H HA -0.041 4.515 4.556 -0.000 0.000 0.299 187 H C 2.450 177.761 175.328 -0.028 0.000 1.070 187 H CA 1.100 57.105 56.048 -0.071 0.000 1.356 187 H CB -0.024 29.741 29.762 0.005 0.000 1.401 187 H HN 0.163 nan 8.280 nan 0.000 0.524 188 R N 0.648 121.181 120.500 0.054 0.000 2.105 188 R HA -0.131 4.209 4.340 -0.001 0.000 0.239 188 R C 2.028 178.211 176.300 -0.195 0.000 1.135 188 R CA 1.577 57.675 56.100 -0.005 0.000 0.967 188 R CB -0.101 30.113 30.300 -0.142 0.000 0.861 188 R HN 0.519 nan 8.270 nan 0.000 0.442 189 E N 0.597 120.524 120.200 -0.455 0.000 2.072 189 E HA -0.196 4.153 4.350 -0.001 0.000 0.191 189 E C 1.950 178.282 176.600 -0.447 0.000 0.985 189 E CA 0.929 56.935 56.400 -0.656 0.000 0.801 189 E CB -0.131 28.937 29.700 -1.053 0.000 0.750 189 E HN 0.104 nan 8.360 nan 0.000 0.452 190 L N 1.312 122.272 121.223 -0.438 0.000 1.990 190 L HA -0.211 4.129 4.340 -0.001 0.000 0.213 190 L C 2.267 179.079 176.870 -0.097 0.000 1.072 190 L CA 2.298 56.998 54.840 -0.234 0.000 0.755 190 L CB -0.735 41.188 42.059 -0.227 0.000 0.889 190 L HN 0.061 nan 8.230 nan 0.000 0.432 191 A N -0.888 121.898 122.820 -0.056 0.000 1.978 191 A HA -0.249 4.071 4.320 -0.001 0.000 0.220 191 A C 2.481 180.063 177.584 -0.004 0.000 1.170 191 A CA 2.130 54.149 52.037 -0.030 0.000 0.636 191 A CB -1.213 17.859 19.000 0.120 0.000 0.810 191 A HN 0.734 nan 8.150 nan 0.000 0.448 192 S N -0.967 114.765 115.700 0.053 0.000 2.419 192 S HA 0.069 4.538 4.470 -0.001 0.000 0.233 192 S C 1.648 176.295 174.600 0.079 0.000 1.016 192 S CA 1.365 59.635 58.200 0.117 0.000 0.974 192 S CB -0.554 62.819 63.200 0.287 0.000 0.786 192 S HN 0.718 nan 8.310 nan 0.000 0.492 193 G N 0.379 109.215 108.800 0.059 0.000 3.159 193 G HA2 0.413 4.373 3.960 -0.001 0.000 0.232 193 G HA3 0.413 4.373 3.960 -0.001 0.000 0.232 193 G C 0.250 175.111 174.900 -0.066 0.000 1.116 193 G CA -0.535 44.586 45.100 0.035 0.000 0.767 193 G HN 0.434 nan 8.290 nan 0.000 0.547 194 L N 1.327 122.442 121.223 -0.179 0.000 2.456 194 L HA 0.129 4.469 4.340 -0.001 0.000 0.272 194 L C 1.078 177.687 176.870 -0.434 0.000 1.189 194 L CA -0.283 54.291 54.840 -0.444 0.000 0.846 194 L CB 1.368 42.960 42.059 -0.778 0.000 1.111 194 L HN -0.025 nan 8.230 nan 0.000 0.475 195 S N 2.607 118.033 115.700 -0.456 0.000 2.803 195 S HA 0.195 4.665 4.470 -0.001 0.000 0.228 195 S C -0.395 174.197 174.600 -0.014 0.000 0.953 195 S CA -0.109 57.995 58.200 -0.160 0.000 0.983 195 S CB -0.704 62.517 63.200 0.035 0.000 0.784 195 S HN 0.457 nan 8.310 nan 0.000 0.498 196 F N -1.705 118.298 119.950 0.088 0.000 2.711 196 F HA 0.713 5.239 4.527 -0.001 0.000 0.313 196 F C -3.517 172.349 175.800 0.110 0.000 1.141 196 F CA -3.636 54.417 58.000 0.089 0.000 0.941 196 F CB -0.099 38.938 39.000 0.061 0.000 1.349 196 F HN -0.330 nan 8.300 nan 0.000 0.464 197 P HA 0.348 nan 4.420 nan 0.000 0.269 197 P C -1.063 176.399 177.300 0.270 0.000 1.209 197 P CA -0.217 63.113 63.100 0.383 0.000 0.776 197 P CB 1.190 33.152 31.700 0.436 0.000 0.876 198 V N 2.363 122.353 119.914 0.126 0.000 2.577 198 V HA 0.617 4.737 4.120 -0.001 0.000 0.303 198 V C 0.535 176.233 176.094 -0.660 0.000 1.042 198 V CA -0.529 61.594 62.300 -0.295 0.000 0.872 198 V CB 1.963 33.584 31.823 -0.337 0.000 0.998 198 V HN 0.718 nan 8.190 nan 0.000 0.423 199 G N 2.904 111.137 108.800 -0.946 0.000 2.389 199 G HA2 0.673 4.633 3.960 -0.001 0.000 0.317 199 G HA3 0.673 4.633 3.960 -0.001 0.000 0.317 199 G C -1.230 173.204 174.900 -0.776 0.000 1.137 199 G CA -0.308 44.075 45.100 -1.195 0.000 0.870 199 G HN 0.408 nan 8.290 nan 0.000 0.496 200 F N 0.786 120.514 119.950 -0.370 0.000 2.444 200 F HA 0.399 4.926 4.527 -0.001 0.000 0.342 200 F C 0.853 176.595 175.800 -0.097 0.000 1.121 200 F CA -0.730 57.164 58.000 -0.176 0.000 0.997 200 F CB 2.180 41.107 39.000 -0.122 0.000 1.130 200 F HN 0.127 nan 8.300 nan 0.000 0.454 201 K N 3.664 124.130 120.400 0.111 0.000 2.218 201 K HA 0.204 4.523 4.320 -0.001 0.000 0.276 201 K C 0.136 176.793 176.600 0.095 0.000 1.022 201 K CA -0.660 55.684 56.287 0.095 0.000 0.946 201 K CB 0.584 33.128 32.500 0.073 0.000 1.000 201 K HN 0.626 nan 8.250 nan 0.000 0.468 209 N N 0.432 119.136 118.700 0.008 0.000 2.223 209 N HA -0.120 4.620 4.740 -0.001 0.000 0.185 209 N C 1.703 177.201 175.510 -0.021 0.000 1.016 209 N CA 1.748 54.796 53.050 -0.004 0.000 0.863 209 N CB -0.385 38.098 38.487 -0.005 0.000 0.983 209 N HN 0.506 nan 8.380 nan 0.000 0.429 210 V N -2.025 117.876 119.914 -0.022 0.000 2.515 210 V HA 0.065 4.184 4.120 -0.001 0.000 0.250 210 V C 2.099 178.144 176.094 -0.082 0.000 1.058 210 V CA 1.532 63.804 62.300 -0.047 0.000 1.064 210 V CB -1.138 30.666 31.823 -0.033 0.000 0.675 210 V HN 0.249 nan 8.190 nan 0.000 0.461 211 A N 0.365 123.159 122.820 -0.043 0.000 1.930 211 A HA 0.044 4.364 4.320 -0.001 0.000 0.215 211 A C 2.306 179.843 177.584 -0.079 0.000 1.176 211 A CA 1.699 53.709 52.037 -0.045 0.000 0.632 211 A CB -0.591 18.441 19.000 0.052 0.000 0.819 211 A HN 0.410 nan 8.150 nan 0.000 0.445 212 V N 0.702 120.595 119.914 -0.035 0.000 2.379 212 V HA -0.191 3.928 4.120 -0.001 0.000 0.245 212 V C 1.999 178.050 176.094 -0.072 0.000 1.044 212 V CA 2.074 64.360 62.300 -0.023 0.000 1.036 212 V CB -0.767 31.062 31.823 0.010 0.000 0.664 212 V HN 0.465 nan 8.190 nan 0.000 0.453 213 D N 0.632 120.979 120.400 -0.087 0.000 2.178 213 D HA -0.124 4.516 4.640 -0.001 0.000 0.201 213 D C 2.201 178.386 176.300 -0.192 0.000 0.980 213 D CA 1.572 55.511 54.000 -0.102 0.000 0.842 213 D CB -0.215 40.532 40.800 -0.088 0.000 0.948 213 D HN 0.453 nan 8.370 nan 0.000 0.472 214 A N 0.584 123.198 122.820 -0.343 0.000 1.858 214 A HA -0.188 4.132 4.320 -0.001 0.000 0.216 214 A C 2.580 179.761 177.584 -0.672 0.000 1.190 214 A CA 1.361 52.969 52.037 -0.715 0.000 0.617 214 A CB -1.038 17.179 19.000 -1.305 0.000 0.827 214 A HN 0.348 nan 8.150 nan 0.000 0.443 215 C N -1.337 117.699 119.300 -0.440 0.000 2.401 215 C HA -0.146 4.314 4.460 -0.001 0.000 0.276 215 C C 2.889 177.881 174.990 0.003 0.000 1.233 215 C CA 1.520 60.491 59.018 -0.079 0.000 1.753 215 C CB -1.288 26.480 27.740 0.047 0.000 2.029 215 C HN 0.730 nan 8.230 nan 0.000 0.478 216 Q N 0.510 120.303 119.800 -0.012 0.000 2.124 216 Q HA -0.038 4.302 4.340 -0.001 0.000 0.202 216 Q C 2.232 178.337 176.000 0.175 0.000 0.977 216 Q CA 1.930 57.780 55.803 0.079 0.000 0.850 216 Q CB -0.310 28.457 28.738 0.048 0.000 0.901 216 Q HN 0.687 nan 8.270 nan 0.000 0.429 217 A N -0.583 122.273 122.820 0.059 0.000 1.975 217 A HA 0.176 4.496 4.320 -0.001 0.000 0.215 217 A C 2.085 179.834 177.584 0.275 0.000 1.170 217 A CA 1.090 53.195 52.037 0.113 0.000 0.656 217 A CB -0.547 18.437 19.000 -0.026 0.000 0.821 217 A HN 0.386 nan 8.150 nan 0.000 0.449 218 A N -0.279 122.633 122.820 0.152 0.000 2.066 218 A HA 0.334 4.654 4.320 -0.001 0.000 0.218 218 A C 2.207 179.914 177.584 0.205 0.000 1.157 218 A CA 1.410 53.567 52.037 0.200 0.000 0.670 218 A CB -0.563 18.574 19.000 0.228 0.000 0.804 218 A HN 0.897 nan 8.150 nan 0.000 0.453 219 A N -1.036 121.893 122.820 0.180 0.000 2.119 219 A HA 0.177 4.497 4.320 -0.001 0.000 0.216 219 A C 0.840 178.436 177.584 0.020 0.000 1.152 219 A CA 0.370 52.453 52.037 0.076 0.000 0.708 219 A CB -0.369 18.647 19.000 0.027 0.000 0.805 219 A HN 0.603 nan 8.150 nan 0.000 0.460 220 H N -1.019 118.054 119.070 0.005 0.000 2.495 220 H HA 0.472 5.028 4.556 -0.001 0.000 0.350 220 H C 0.414 175.637 175.328 -0.175 0.000 1.202 220 H CA 0.128 56.108 56.048 -0.114 0.000 1.322 220 H CB 0.970 30.598 29.762 -0.224 0.000 1.544 220 H HN 0.146 nan 8.280 nan 0.000 0.565 221 S N 1.202 116.869 115.700 -0.054 0.000 2.548 221 S HA 0.143 4.613 4.470 -0.001 0.000 0.277 221 S C -0.799 173.679 174.600 -0.203 0.000 1.315 221 S CA -0.419 57.746 58.200 -0.058 0.000 1.050 221 S CB -0.084 63.105 63.200 -0.018 0.000 0.918 221 S HN 0.532 nan 8.310 nan 0.000 0.497 222 H N 2.522 121.677 119.070 0.142 0.000 2.894 222 H HA 0.419 4.975 4.556 -0.001 0.000 0.368 222 H C -0.830 174.599 175.328 0.169 0.000 1.181 222 H CA -0.658 55.529 56.048 0.231 0.000 1.146 222 H CB 1.553 31.475 29.762 0.267 0.000 1.839 222 H HN 0.685 nan 8.280 nan 0.000 0.557 223 H N 1.713 120.986 119.070 0.337 0.000 2.823 223 H HA 0.257 4.813 4.556 -0.001 0.000 0.332 223 H C -0.959 174.505 175.328 0.228 0.000 0.980 223 H CA -0.392 55.734 56.048 0.131 0.000 1.286 223 H CB 1.478 31.278 29.762 0.062 0.000 1.541 223 H HN 0.477 nan 8.280 nan 0.000 0.521 224 F N -0.245 119.773 119.950 0.113 0.000 2.711 224 F HA 0.509 5.036 4.527 -0.000 0.000 0.313 224 F C -1.179 174.639 175.800 0.029 0.000 1.141 224 F CA -1.428 56.610 58.000 0.062 0.000 0.941 224 F CB 1.262 40.277 39.000 0.024 0.000 1.349 224 F HN 0.157 nan 8.300 nan 0.000 0.464 225 M N 2.020 121.719 119.600 0.165 0.000 2.146 225 M HA 0.551 5.030 4.480 -0.001 0.000 0.352 225 M C 0.109 176.494 176.300 0.142 0.000 1.343 225 M CA 0.129 55.472 55.300 0.072 0.000 1.115 225 M CB 0.704 33.351 32.600 0.078 0.000 1.657 225 M HN 0.926 nan 8.290 nan 0.000 0.471 226 G N 2.049 110.866 108.800 0.028 0.000 2.694 226 G HA2 0.647 4.607 3.960 -0.001 0.000 0.290 226 G HA3 0.647 4.607 3.960 -0.001 0.000 0.290 226 G C -1.485 173.429 174.900 0.024 0.000 1.386 226 G CA -0.601 44.550 45.100 0.085 0.000 0.872 226 G HN 0.474 nan 8.290 nan 0.000 0.475 227 V N 1.240 121.178 119.914 0.039 0.000 2.465 227 V HA 0.502 4.621 4.120 -0.001 0.000 0.279 227 V C 1.076 177.165 176.094 -0.009 0.000 1.045 227 V CA -0.305 62.004 62.300 0.015 0.000 0.938 227 V CB 0.973 32.815 31.823 0.032 0.000 0.986 227 V HN 1.061 nan 8.190 nan 0.000 0.467 228 T N 1.660 116.202 114.554 -0.019 0.000 2.824 228 T HA 0.159 4.509 4.350 -0.001 0.000 0.277 228 T C 1.293 175.971 174.700 -0.036 0.000 0.975 228 T CA -0.360 61.722 62.100 -0.030 0.000 0.966 228 T CB 0.981 69.836 68.868 -0.022 0.000 1.054 228 T HN 0.329 nan 8.240 nan 0.000 0.533 229 K N -0.437 119.941 120.400 -0.037 0.000 2.173 229 K HA -0.159 4.161 4.320 -0.001 0.000 0.207 229 K C 1.917 178.564 176.600 0.078 0.000 1.046 229 K CA 1.693 57.964 56.287 -0.027 0.000 0.929 229 K CB -1.031 31.465 32.500 -0.008 0.000 0.720 229 K HN 0.776 nan 8.250 nan 0.000 0.453 230 H N -1.605 117.419 119.070 -0.077 0.000 2.526 230 H HA 0.277 4.833 4.556 -0.001 0.000 0.274 230 H C 1.299 176.598 175.328 -0.049 0.000 0.999 230 H CA 0.290 56.303 56.048 -0.057 0.000 1.157 230 H CB 0.215 29.953 29.762 -0.041 0.000 1.407 230 H HN 0.483 nan 8.280 nan 0.000 0.568 231 G N 0.249 109.058 108.800 0.014 0.000 2.132 231 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.234 231 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.234 231 G C 0.160 175.062 174.900 0.004 0.000 0.989 231 G CA 0.402 45.496 45.100 -0.008 0.000 0.676 231 G HN 0.520 nan 8.290 nan 0.000 0.522 232 V N -2.773 117.148 119.914 0.012 0.000 2.864 232 V HA 0.971 5.091 4.120 -0.001 0.000 0.314 232 V C 0.536 176.629 176.094 -0.000 0.000 1.073 232 V CA -0.671 61.631 62.300 0.004 0.000 0.956 232 V CB 1.716 33.544 31.823 0.007 0.000 1.023 232 V HN 1.782 nan 8.190 nan 0.000 0.435 233 A N 2.202 125.020 122.820 -0.004 0.000 2.440 233 A HA 0.871 5.191 4.320 -0.001 0.000 0.251 233 A C 0.409 177.984 177.584 -0.016 0.000 1.089 233 A CA 0.424 52.459 52.037 -0.004 0.000 0.779 233 A CB -0.021 18.978 19.000 -0.001 0.000 1.022 233 A HN 2.457 nan 8.150 nan 0.000 0.492 234 A N 1.865 124.667 122.820 -0.030 0.000 2.588 234 A HA 0.690 5.010 4.320 -0.001 0.000 0.290 234 A C -0.833 176.701 177.584 -0.083 0.000 1.136 234 A CA -0.643 51.364 52.037 -0.049 0.000 0.681 234 A CB 0.570 19.536 19.000 -0.056 0.000 1.282 234 A HN 0.758 nan 8.150 nan 0.000 0.421 235 I N 1.694 122.211 120.570 -0.088 0.000 2.312 235 I HA 0.305 4.475 4.170 -0.001 0.000 0.291 235 I C 0.031 176.019 176.117 -0.215 0.000 1.031 235 I CA 0.049 61.274 61.300 -0.125 0.000 1.293 235 I CB 1.441 39.412 38.000 -0.049 0.000 1.403 235 I HN 0.529 nan 8.210 nan 0.000 0.484 236 T N 4.452 118.754 114.554 -0.419 0.000 2.845 236 T HA 0.310 4.660 4.350 -0.001 0.000 0.288 236 T C 0.121 174.477 174.700 -0.574 0.000 0.980 236 T CA -0.308 61.464 62.100 -0.546 0.000 1.071 236 T CB 1.065 69.417 68.868 -0.860 0.000 0.941 236 T HN 0.493 nan 8.240 nan 0.000 0.487 237 T N 3.042 117.340 114.554 -0.426 0.000 2.807 237 T HA 0.610 4.959 4.350 -0.001 0.000 0.279 237 T C 0.369 174.907 174.700 -0.270 0.000 0.993 237 T CA -0.778 61.030 62.100 -0.487 0.000 0.970 237 T CB 1.257 69.829 68.868 -0.494 0.000 0.950 237 T HN 0.785 nan 8.240 nan 0.000 0.441 238 T N 0.377 114.836 114.554 -0.159 0.000 2.950 238 T HA 0.535 4.884 4.350 -0.001 0.000 0.288 238 T C 0.898 175.584 174.700 -0.024 0.000 1.035 238 T CA -0.902 61.187 62.100 -0.018 0.000 1.028 238 T CB 1.958 70.917 68.868 0.151 0.000 1.109 238 T HN 0.402 nan 8.240 nan 0.000 0.514 239 K N -0.048 120.348 120.400 -0.007 0.000 2.323 239 K HA 0.381 4.700 4.320 -0.001 0.000 0.197 239 K C 0.796 177.391 176.600 -0.008 0.000 1.043 239 K CA 0.525 56.801 56.287 -0.019 0.000 0.997 239 K CB -0.048 32.437 32.500 -0.024 0.000 0.807 239 K HN 1.107 nan 8.250 nan 0.000 0.497 240 G N 1.902 110.720 108.800 0.030 0.000 2.911 240 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.686 240 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.686 240 G C -1.345 173.553 174.900 -0.002 0.000 1.136 240 G CA -0.889 44.230 45.100 0.031 0.000 0.764 240 G HN 0.181 nan 8.290 nan 0.000 0.626 241 N N 1.315 120.027 118.700 0.020 0.000 2.511 241 N HA 0.279 5.019 4.740 -0.001 0.000 0.249 241 N C 1.365 176.855 175.510 -0.033 0.000 0.971 241 N CA -0.241 52.804 53.050 -0.009 0.000 0.938 241 N CB 1.194 39.700 38.487 0.032 0.000 1.131 241 N HN 0.737 nan 8.380 nan 0.000 0.505 242 E N 2.625 122.717 120.200 -0.180 0.000 2.502 242 E HA -0.101 4.249 4.350 -0.001 0.000 0.194 242 E C -0.449 176.054 176.600 -0.162 0.000 1.062 242 E CA 0.709 56.987 56.400 -0.203 0.000 0.867 242 E CB -0.389 29.148 29.700 -0.271 0.000 0.888 242 E HN 0.652 nan 8.360 nan 0.000 0.510 243 H N -0.009 119.136 119.070 0.126 0.000 2.591 243 H HA 0.295 4.851 4.556 -0.001 0.000 0.302 243 H C -0.468 175.036 175.328 0.292 0.000 1.163 243 H CA -0.872 55.288 56.048 0.187 0.000 1.049 243 H CB 0.029 29.886 29.762 0.158 0.000 1.543 243 H HN 0.082 nan 8.280 nan 0.000 0.523 244 C N 1.636 121.149 119.300 0.356 0.000 2.370 244 C HA 0.539 4.999 4.460 -0.001 0.000 0.354 244 C C -0.201 175.055 174.990 0.445 0.000 1.218 244 C CA -0.613 58.605 59.018 0.333 0.000 2.154 244 C CB -0.618 27.314 27.740 0.320 0.000 2.391 244 C HN 0.609 nan 8.230 nan 0.000 0.540 245 F N -0.291 119.797 119.950 0.230 0.000 2.668 245 F HA 0.706 5.232 4.527 -0.001 0.000 0.309 245 F C -1.002 174.930 175.800 0.221 0.000 1.117 245 F CA -1.385 56.735 58.000 0.199 0.000 0.951 245 F CB 0.199 39.303 39.000 0.173 0.000 1.323 245 F HN 0.221 nan 8.300 nan 0.000 0.451 246 V N 3.090 123.175 119.914 0.285 0.000 2.508 246 V HA 0.263 4.382 4.120 -0.001 0.000 0.281 246 V C 0.218 176.469 176.094 0.261 0.000 1.041 246 V CA -0.265 62.155 62.300 0.200 0.000 1.016 246 V CB 0.915 32.848 31.823 0.183 0.000 0.984 246 V HN 0.605 nan 8.190 nan 0.000 0.478 247 I N 6.104 126.771 120.570 0.162 0.000 2.312 247 I HA 0.265 4.435 4.170 -0.001 0.000 0.290 247 I C -0.559 175.654 176.117 0.159 0.000 1.008 247 I CA -0.550 60.866 61.300 0.193 0.000 1.226 247 I CB 1.215 39.309 38.000 0.156 0.000 1.371 247 I HN 0.263 nan 8.210 nan 0.000 0.468 248 L N 7.640 128.965 121.223 0.172 0.000 2.278 248 L HA 0.441 4.780 4.340 -0.001 0.000 0.287 248 L C 0.408 177.373 176.870 0.159 0.000 1.072 248 L CA 0.084 55.016 54.840 0.153 0.000 0.819 248 L CB 0.350 42.504 42.059 0.158 0.000 1.176 248 L HN 0.748 nan 8.230 nan 0.000 0.435 258 D N 1.225 121.501 120.400 -0.207 0.000 2.268 258 D HA 0.642 5.281 4.640 -0.001 0.000 0.249 258 D C 1.400 177.669 176.300 -0.053 0.000 1.008 258 D CA -0.306 53.603 54.000 -0.150 0.000 0.939 258 D CB 2.005 42.642 40.800 -0.273 0.000 1.170 258 D HN 0.219 nan 8.370 nan 0.000 0.468 259 A N 0.890 123.697 122.820 -0.021 0.000 2.042 259 A HA -0.163 4.157 4.320 -0.001 0.000 0.222 259 A C 2.246 179.824 177.584 -0.009 0.000 1.167 259 A CA 2.529 54.565 52.037 -0.002 0.000 0.649 259 A CB -1.381 17.621 19.000 0.003 0.000 0.809 259 A HN 0.685 nan 8.150 nan 0.000 0.457 260 K N -0.916 119.466 120.400 -0.030 0.000 2.076 260 K HA 0.052 4.372 4.320 -0.001 0.000 0.204 260 K C 2.288 178.876 176.600 -0.020 0.000 1.051 260 K CA 1.601 57.873 56.287 -0.025 0.000 0.949 260 K CB -1.171 31.308 32.500 -0.036 0.000 0.726 260 K HN 0.443 nan 8.250 nan 0.000 0.443 261 S N 0.589 116.268 115.700 -0.035 0.000 2.353 261 S HA -0.136 4.333 4.470 -0.001 0.000 0.222 261 S C 2.174 176.783 174.600 0.015 0.000 1.035 261 S CA 1.509 59.699 58.200 -0.018 0.000 1.025 261 S CB -0.302 62.873 63.200 -0.042 0.000 0.902 261 S HN 0.342 nan 8.310 nan 0.000 0.440 262 V N 1.678 121.606 119.914 0.024 0.000 2.407 262 V HA -0.188 3.931 4.120 -0.001 0.000 0.248 262 V C 2.490 178.606 176.094 0.036 0.000 1.055 262 V CA 1.719 64.045 62.300 0.044 0.000 1.049 262 V CB -1.052 30.803 31.823 0.053 0.000 0.662 262 V HN 0.546 nan 8.190 nan 0.000 0.455 263 A N -0.259 122.575 122.820 0.023 0.000 2.016 263 A HA -0.061 4.258 4.320 -0.001 0.000 0.217 263 A C 2.283 179.879 177.584 0.020 0.000 1.162 263 A CA 1.649 53.699 52.037 0.021 0.000 0.662 263 A CB -0.518 18.490 19.000 0.014 0.000 0.812 263 A HN 0.598 nan 8.150 nan 0.000 0.450 264 E N -0.080 120.130 120.200 0.016 0.000 2.106 264 E HA 0.077 4.427 4.350 -0.001 0.000 0.192 264 E C 2.246 178.862 176.600 0.027 0.000 0.984 264 E CA 1.744 58.154 56.400 0.017 0.000 0.806 264 E CB -1.069 28.637 29.700 0.009 0.000 0.750 264 E HN 0.895 nan 8.360 nan 0.000 0.458 265 A N 1.315 124.156 122.820 0.035 0.000 1.858 265 A HA -0.186 4.134 4.320 -0.001 0.000 0.216 265 A C 2.303 179.917 177.584 0.050 0.000 1.190 265 A CA 1.923 53.989 52.037 0.049 0.000 0.617 265 A CB -0.327 18.711 19.000 0.064 0.000 0.827 265 A HN 0.418 nan 8.150 nan 0.000 0.443 266 K N -0.145 120.283 120.400 0.048 0.000 2.286 266 K HA -0.122 4.198 4.320 -0.001 0.000 0.203 266 K C 2.028 178.651 176.600 0.038 0.000 1.045 266 K CA 0.962 57.276 56.287 0.045 0.000 0.935 266 K CB -0.336 32.188 32.500 0.040 0.000 0.737 266 K HN 0.483 nan 8.250 nan 0.000 0.460 267 A N 1.025 123.864 122.820 0.031 0.000 2.067 267 A HA -0.150 4.169 4.320 -0.001 0.000 0.219 267 A C 1.805 179.405 177.584 0.027 0.000 1.158 267 A CA 1.065 53.118 52.037 0.026 0.000 0.661 267 A CB -0.105 18.907 19.000 0.020 0.000 0.801 267 A HN 0.287 nan 8.150 nan 0.000 0.452 268 Q N -0.853 118.966 119.800 0.031 0.000 2.360 268 Q HA 0.262 4.602 4.340 -0.001 0.000 0.202 268 Q C -0.525 175.496 176.000 0.034 0.000 0.915 268 Q CA -0.123 55.698 55.803 0.030 0.000 0.943 268 Q CB 0.159 28.915 28.738 0.031 0.000 1.064 268 Q HN 0.540 nan 8.270 nan 0.000 0.511 269 L N 3.422 124.669 121.223 0.040 0.000 2.265 269 L HA 0.319 4.659 4.340 -0.001 0.000 0.288 269 L C -1.852 175.043 176.870 0.042 0.000 1.058 269 L CA -1.769 53.099 54.840 0.048 0.000 0.809 269 L CB 0.504 42.598 42.059 0.059 0.000 1.179 269 L HN -0.005 nan 8.230 nan 0.000 0.429 270 P HA 0.095 nan 4.420 nan 0.000 0.271 270 P C -0.443 176.879 177.300 0.036 0.000 1.233 270 P CA -0.530 62.591 63.100 0.035 0.000 0.789 270 P CB 0.692 32.414 31.700 0.037 0.000 0.951 271 A N 0.285 123.123 122.820 0.030 0.000 2.531 271 A HA 0.397 4.716 4.320 -0.001 0.000 0.236 271 A C 1.430 179.033 177.584 0.031 0.000 1.062 271 A CA 0.817 52.871 52.037 0.028 0.000 0.760 271 A CB -1.310 17.703 19.000 0.021 0.000 0.995 271 A HN 0.964 nan 8.150 nan 0.000 0.501 272 G N 1.155 109.975 108.800 0.034 0.000 2.194 272 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.236 272 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.236 272 G C 0.592 175.525 174.900 0.056 0.000 0.987 272 G CA 0.339 45.461 45.100 0.037 0.000 0.635 272 G HN 1.198 nan 8.290 nan 0.000 0.520 273 S N 0.737 116.476 115.700 0.065 0.000 2.563 273 S HA 0.354 4.824 4.470 -0.001 0.000 0.284 273 S C 0.803 175.464 174.600 0.101 0.000 1.331 273 S CA 0.353 58.608 58.200 0.091 0.000 1.047 273 S CB 0.480 63.732 63.200 0.087 0.000 0.859 273 S HN 0.603 nan 8.310 nan 0.000 0.514 274 N N -0.284 118.500 118.700 0.141 0.000 2.448 274 N HA 0.540 5.280 4.740 -0.001 0.000 0.274 274 N C 0.427 176.011 175.510 0.123 0.000 1.239 274 N CA -0.673 52.461 53.050 0.139 0.000 0.982 274 N CB 0.373 38.987 38.487 0.212 0.000 1.199 274 N HN 0.622 nan 8.380 nan 0.000 0.576 275 G N -0.335 108.507 108.800 0.070 0.000 2.504 275 G HA2 0.455 4.414 3.960 -0.001 0.000 0.288 275 G HA3 0.455 4.414 3.960 -0.001 0.000 0.288 275 G C -0.449 174.510 174.900 0.099 0.000 1.182 275 G CA -0.580 44.555 45.100 0.058 0.000 0.894 275 G HN 0.288 nan 8.290 nan 0.000 0.521 276 L N 0.317 121.609 121.223 0.116 0.000 2.395 276 L HA 0.476 4.816 4.340 -0.001 0.000 0.269 276 L C 0.497 177.469 176.870 0.170 0.000 1.133 276 L CA -0.345 54.604 54.840 0.182 0.000 0.812 276 L CB 1.459 43.607 42.059 0.148 0.000 1.125 276 L HN 0.477 nan 8.230 nan 0.000 0.452 277 M N 3.289 123.055 119.600 0.276 0.000 2.456 277 M HA 0.572 5.052 4.480 -0.001 0.000 0.324 277 M C -1.394 175.031 176.300 0.208 0.000 1.124 277 M CA -0.371 55.069 55.300 0.233 0.000 0.959 277 M CB 1.892 34.726 32.600 0.389 0.000 1.692 277 M HN 0.429 nan 8.290 nan 0.000 0.444 278 I N 3.164 123.832 120.570 0.164 0.000 2.378 278 I HA 0.274 4.444 4.170 -0.001 0.000 0.291 278 I C -0.834 175.389 176.117 0.176 0.000 0.992 278 I CA -0.724 60.698 61.300 0.203 0.000 1.154 278 I CB 1.606 39.765 38.000 0.265 0.000 1.315 278 I HN 0.624 nan 8.210 nan 0.000 0.448 279 D N 6.961 127.469 120.400 0.180 0.000 2.295 279 D HA 0.193 4.833 4.640 -0.001 0.000 0.248 279 D C -0.384 176.059 176.300 0.237 0.000 1.154 279 D CA 0.130 54.210 54.000 0.133 0.000 0.857 279 D CB 0.543 41.417 40.800 0.123 0.000 1.117 279 D HN 0.290 nan 8.370 nan 0.000 0.468 290 R N 1.639 122.136 120.500 -0.005 0.000 2.310 290 R HA 0.354 4.694 4.340 -0.001 0.000 0.202 290 R C 1.374 177.657 176.300 -0.028 0.000 0.933 290 R CA 1.589 57.681 56.100 -0.012 0.000 1.054 290 R CB -2.450 27.845 30.300 -0.007 0.000 0.985 290 R HN 1.739 nan 8.270 nan 0.000 0.489 291 N N 0.690 119.369 118.700 -0.035 0.000 2.521 291 N HA -0.123 4.616 4.740 -0.001 0.000 0.188 291 N C 1.864 177.296 175.510 -0.130 0.000 1.146 291 N CA 0.792 53.803 53.050 -0.065 0.000 0.893 291 N CB -0.347 38.111 38.487 -0.048 0.000 0.975 291 N HN 0.770 nan 8.380 nan 0.000 0.451 292 Q N -0.048 119.695 119.800 -0.094 0.000 2.096 292 Q HA -0.108 4.231 4.340 -0.001 0.000 0.204 292 Q C -0.456 175.429 176.000 -0.191 0.000 0.982 292 Q CA 1.802 57.541 55.803 -0.107 0.000 0.850 292 Q CB -0.931 27.843 28.738 0.060 0.000 0.901 292 Q HN 0.533 nan 8.270 nan 0.000 0.422 293 P HA -0.149 nan 4.420 nan 0.000 0.220 293 P C 1.073 178.272 177.300 -0.168 0.000 1.148 293 P CA 2.056 65.084 63.100 -0.120 0.000 0.803 293 P CB -0.134 31.525 31.700 -0.069 0.000 0.782 294 K N -0.122 120.176 120.400 -0.170 0.000 2.103 294 K HA -0.057 4.263 4.320 -0.001 0.000 0.204 294 K C 2.110 178.557 176.600 -0.255 0.000 1.052 294 K CA 1.683 57.880 56.287 -0.151 0.000 0.945 294 K CB -1.776 30.668 32.500 -0.094 0.000 0.722 294 K HN -0.031 nan 8.250 nan 0.000 0.443 295 V N 2.462 122.087 119.914 -0.482 0.000 2.287 295 V HA -0.331 3.788 4.120 -0.001 0.000 0.248 295 V C 2.488 178.143 176.094 -0.731 0.000 1.053 295 V CA 2.152 63.949 62.300 -0.839 0.000 1.027 295 V CB -0.643 30.493 31.823 -1.146 0.000 0.646 295 V HN 0.781 nan 8.190 nan 0.000 0.447 296 N N 0.169 118.412 118.700 -0.761 0.000 2.094 296 N HA -0.251 4.488 4.740 -0.001 0.000 0.191 296 N C 1.533 176.924 175.510 -0.199 0.000 1.023 296 N CA 1.948 54.705 53.050 -0.489 0.000 0.857 296 N CB -0.121 38.243 38.487 -0.205 0.000 1.013 296 N HN 0.482 nan 8.380 nan 0.000 0.426 297 D N 0.412 120.716 120.400 -0.160 0.000 2.123 297 D HA -0.105 4.535 4.640 -0.001 0.000 0.196 297 D C 2.052 178.333 176.300 -0.032 0.000 0.992 297 D CA 0.764 54.722 54.000 -0.070 0.000 0.833 297 D CB -0.308 40.457 40.800 -0.058 0.000 0.954 297 D HN 0.152 nan 8.370 nan 0.000 0.455 298 V N 0.554 120.457 119.914 -0.019 0.000 2.626 298 V HA -0.139 3.980 4.120 -0.001 0.000 0.252 298 V C 2.463 178.594 176.094 0.062 0.000 1.067 298 V CA 0.790 63.125 62.300 0.058 0.000 1.081 298 V CB -0.064 31.882 31.823 0.205 0.000 0.686 298 V HN 0.046 nan 8.190 nan 0.000 0.468 299 V N -1.588 118.342 119.914 0.026 0.000 2.374 299 V HA -0.170 3.949 4.120 -0.001 0.000 0.241 299 V C 2.483 178.608 176.094 0.052 0.000 1.034 299 V CA 1.691 64.029 62.300 0.063 0.000 1.037 299 V CB -0.401 31.471 31.823 0.081 0.000 0.682 299 V HN 0.585 nan 8.190 nan 0.000 0.463 300 C N 0.808 120.127 119.300 0.032 0.000 2.396 300 C HA -0.223 4.237 4.460 -0.001 0.000 0.277 300 C C 3.192 178.195 174.990 0.020 0.000 1.231 300 C CA 1.726 60.760 59.018 0.026 0.000 1.775 300 C CB -1.245 26.502 27.740 0.012 0.000 2.036 300 C HN 0.768 nan 8.230 nan 0.000 0.484 301 E N -0.405 119.806 120.200 0.018 0.000 2.152 301 E HA -0.217 4.133 4.350 -0.001 0.000 0.192 301 E C 1.695 178.308 176.600 0.021 0.000 0.983 301 E CA 1.257 57.667 56.400 0.016 0.000 0.818 301 E CB -0.623 29.085 29.700 0.014 0.000 0.758 301 E HN 0.845 nan 8.360 nan 0.000 0.467 302 Q N -0.610 119.209 119.800 0.032 0.000 2.119 302 Q HA 0.054 4.393 4.340 -0.001 0.000 0.201 302 Q C 2.371 178.389 176.000 0.029 0.000 0.972 302 Q CA 1.396 57.219 55.803 0.033 0.000 0.847 302 Q CB -0.152 28.613 28.738 0.045 0.000 0.903 302 Q HN 0.619 nan 8.270 nan 0.000 0.433 303 I N 0.417 121.006 120.570 0.031 0.000 2.163 303 I HA -0.253 3.917 4.170 -0.001 0.000 0.240 303 I C 2.360 178.488 176.117 0.017 0.000 1.081 303 I CA 0.955 62.271 61.300 0.026 0.000 1.353 303 I CB -0.357 37.661 38.000 0.029 0.000 1.054 303 I HN 0.163 nan 8.210 nan 0.000 0.407 304 A N 0.535 123.364 122.820 0.014 0.000 1.978 304 A HA -0.178 4.141 4.320 -0.001 0.000 0.220 304 A C 1.762 179.351 177.584 0.008 0.000 1.170 304 A CA 1.616 53.659 52.037 0.009 0.000 0.636 304 A CB -0.575 18.429 19.000 0.006 0.000 0.810 304 A HN 0.443 nan 8.150 nan 0.000 0.448 305 N N -0.648 118.059 118.700 0.011 0.000 2.362 305 N HA 0.174 4.913 4.740 -0.001 0.000 0.204 305 N C 0.979 176.495 175.510 0.011 0.000 1.166 305 N CA 0.974 54.030 53.050 0.010 0.000 0.831 305 N CB 0.454 38.947 38.487 0.010 0.000 1.008 305 N HN 0.659 nan 8.380 nan 0.000 0.472 306 G N 1.101 109.907 108.800 0.011 0.000 2.159 306 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.227 306 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.227 306 G C -0.035 174.874 174.900 0.015 0.000 0.986 306 G CA -0.113 44.994 45.100 0.011 0.000 0.651 306 G HN 0.387 nan 8.290 nan 0.000 0.523 307 E N 0.882 121.094 120.200 0.019 0.000 2.070 307 E HA 0.494 4.843 4.350 -0.001 0.000 0.282 307 E C 1.054 177.668 176.600 0.024 0.000 1.104 307 E CA -0.040 56.374 56.400 0.024 0.000 0.876 307 E CB -0.239 29.480 29.700 0.031 0.000 1.055 307 E HN 0.380 nan 8.360 nan 0.000 0.401 308 N N 3.128 121.841 118.700 0.021 0.000 2.422 308 N HA 0.054 4.793 4.740 -0.001 0.000 0.181 308 N C 1.004 176.527 175.510 0.022 0.000 1.080 308 N CA 0.678 53.739 53.050 0.018 0.000 0.893 308 N CB 0.396 38.891 38.487 0.014 0.000 0.973 308 N HN 0.536 nan 8.380 nan 0.000 0.456 309 A N 0.295 123.134 122.820 0.031 0.000 2.167 309 A HA 0.131 4.451 4.320 -0.001 0.000 0.214 309 A C 0.626 178.238 177.584 0.046 0.000 1.151 309 A CA 0.295 52.356 52.037 0.040 0.000 0.735 309 A CB -0.230 18.799 19.000 0.048 0.000 0.802 309 A HN 0.166 nan 8.150 nan 0.000 0.467 310 I N 1.091 121.687 120.570 0.044 0.000 2.301 310 I HA 0.138 4.307 4.170 -0.001 0.000 0.292 310 I C 1.283 177.413 176.117 0.022 0.000 1.046 310 I CA 0.192 61.522 61.300 0.050 0.000 1.282 310 I CB 1.523 39.562 38.000 0.066 0.000 1.409 310 I HN 0.288 nan 8.210 nan 0.000 0.484 311 T N 0.694 115.247 114.554 -0.001 0.000 2.975 311 T HA 0.385 4.734 4.350 -0.001 0.000 0.261 311 T C 0.499 175.155 174.700 -0.073 0.000 0.984 311 T CA -0.136 61.937 62.100 -0.045 0.000 0.911 311 T CB 0.621 69.442 68.868 -0.078 0.000 1.127 311 T HN 0.617 nan 8.240 nan 0.000 0.514 312 G N 0.896 109.666 108.800 -0.051 0.000 2.692 312 G HA2 0.636 4.596 3.960 -0.001 0.000 0.291 312 G HA3 0.636 4.596 3.960 -0.001 0.000 0.291 312 G C -1.454 173.422 174.900 -0.039 0.000 1.423 312 G CA -0.292 44.762 45.100 -0.077 0.000 0.843 312 G HN 0.910 nan 8.290 nan 0.000 0.486 313 V N -2.060 117.783 119.914 -0.118 0.000 3.114 313 V HA 0.913 5.033 4.120 -0.001 0.000 0.308 313 V C -0.591 175.329 176.094 -0.290 0.000 1.168 313 V CA -1.178 60.996 62.300 -0.211 0.000 1.015 313 V CB 1.951 33.554 31.823 -0.367 0.000 1.050 313 V HN 1.029 nan 8.190 nan 0.000 0.433 314 M N 2.957 122.353 119.600 -0.340 0.000 2.395 314 M HA 0.795 5.275 4.480 -0.001 0.000 0.307 314 M C -2.001 174.075 176.300 -0.373 0.000 1.091 314 M CA -0.553 54.575 55.300 -0.286 0.000 0.919 314 M CB 1.920 34.463 32.600 -0.095 0.000 1.662 314 M HN 0.795 nan 8.290 nan 0.000 0.440 315 I N 3.131 123.529 120.570 -0.287 0.000 2.534 315 I HA 0.302 4.472 4.170 -0.001 0.000 0.288 315 I C -1.011 175.031 176.117 -0.125 0.000 1.077 315 I CA -0.559 60.615 61.300 -0.209 0.000 1.051 315 I CB 2.455 40.324 38.000 -0.218 0.000 1.234 315 I HN 0.669 nan 8.210 nan 0.000 0.425 316 E N 4.363 124.516 120.200 -0.078 0.000 2.167 316 E HA 0.509 4.859 4.350 -0.001 0.000 0.284 316 E C -0.686 175.893 176.600 -0.034 0.000 1.016 316 E CA -0.259 56.090 56.400 -0.085 0.000 0.817 316 E CB 1.539 31.195 29.700 -0.073 0.000 1.080 316 E HN 0.492 nan 8.360 nan 0.000 0.397 317 S N 3.894 119.569 115.700 -0.040 0.000 2.535 317 S HA 0.477 4.947 4.470 -0.001 0.000 0.272 317 S C -1.432 173.172 174.600 0.006 0.000 1.149 317 S CA -0.894 57.343 58.200 0.060 0.000 0.888 317 S CB 1.398 64.700 63.200 0.169 0.000 1.110 317 S HN 0.407 nan 8.310 nan 0.000 0.463 318 N N 1.508 120.282 118.700 0.122 0.000 2.774 318 N HA 0.537 5.276 4.740 -0.001 0.000 0.264 318 N C 0.973 176.692 175.510 0.347 0.000 1.415 318 N CA -0.729 52.349 53.050 0.047 0.000 0.815 318 N CB 1.341 39.797 38.487 -0.051 0.000 1.514 318 N HN 0.604 nan 8.380 nan 0.000 0.523 319 I N 0.716 121.456 120.570 0.284 0.000 2.091 319 I HA -0.237 3.933 4.170 -0.001 0.000 0.239 319 I C 0.557 176.799 176.117 0.208 0.000 1.061 319 I CA 1.264 62.705 61.300 0.234 0.000 1.317 319 I CB -0.210 37.841 38.000 0.085 0.000 1.031 319 I HN 0.396 nan 8.210 nan 0.000 0.401 320 N N 0.576 119.349 118.700 0.120 0.000 2.443 320 N HA 0.418 5.158 4.740 -0.001 0.000 0.293 320 N C -0.141 175.416 175.510 0.079 0.000 1.159 320 N CA -0.135 52.977 53.050 0.104 0.000 0.904 320 N CB 0.632 39.171 38.487 0.087 0.000 1.214 320 N HN 0.171 nan 8.380 nan 0.000 0.513 321 E N -0.602 119.640 120.200 0.069 0.000 2.345 321 E HA 0.610 4.959 4.350 -0.001 0.000 0.259 321 E C 0.772 177.392 176.600 0.033 0.000 1.117 321 E CA -0.285 56.145 56.400 0.050 0.000 0.913 321 E CB 0.035 29.761 29.700 0.044 0.000 1.057 321 E HN 0.867 nan 8.360 nan 0.000 0.432 336 Y N 1.454 121.789 120.300 0.059 0.000 2.496 336 Y HA 0.399 4.949 4.550 -0.000 0.000 0.334 336 Y C 1.502 177.436 175.900 0.056 0.000 1.080 336 Y CA 1.284 59.414 58.100 0.050 0.000 1.355 336 Y CB 0.864 39.339 38.460 0.025 0.000 1.193 336 Y HN 1.781 nan 8.280 nan 0.000 0.523 337 G N 3.631 112.103 108.800 -0.547 0.000 2.147 337 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.244 337 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.244 337 G C -0.973 173.852 174.900 -0.124 0.000 1.005 337 G CA 0.152 44.978 45.100 -0.457 0.000 0.713 337 G HN 0.736 nan 8.290 nan 0.000 0.515 338 V N 0.258 120.157 119.914 -0.025 0.000 2.656 338 V HA 0.726 4.846 4.120 -0.001 0.000 0.307 338 V C 0.852 176.975 176.094 0.049 0.000 1.051 338 V CA -0.239 62.072 62.300 0.017 0.000 0.893 338 V CB 1.796 33.635 31.823 0.025 0.000 0.999 338 V HN 0.674 nan 8.190 nan 0.000 0.426 339 S N 3.662 119.369 115.700 0.012 0.000 2.537 339 S HA 0.177 4.647 4.470 -0.001 0.000 0.286 339 S C 0.873 175.427 174.600 -0.077 0.000 1.299 339 S CA -0.199 57.997 58.200 -0.007 0.000 1.067 339 S CB 0.094 63.282 63.200 -0.021 0.000 0.864 339 S HN 0.702 nan 8.310 nan 0.000 0.494 340 I N 2.624 123.095 120.570 -0.166 0.000 3.861 340 I HA 0.247 4.417 4.170 -0.001 0.000 0.329 340 I C 0.856 176.915 176.117 -0.098 0.000 1.321 340 I CA -0.223 60.961 61.300 -0.193 0.000 1.126 340 I CB -0.571 37.206 38.000 -0.371 0.000 1.018 340 I HN 0.672 nan 8.210 nan 0.000 0.407 341 T N -2.923 111.598 114.554 -0.054 0.000 1.672 341 T HA 0.319 4.669 4.350 -0.001 0.000 0.180 341 T C 0.021 174.712 174.700 -0.015 0.000 0.699 341 T CA -0.381 61.706 62.100 -0.022 0.000 1.153 341 T CB -0.137 68.732 68.868 0.003 0.000 3.217 341 T HN -0.008 nan 8.240 nan 0.000 0.426 342 D N 1.978 122.375 120.400 -0.005 0.000 2.362 342 D HA 0.547 5.186 4.640 -0.001 0.000 0.242 342 D C 0.121 176.414 176.300 -0.012 0.000 1.132 342 D CA 0.016 54.014 54.000 -0.004 0.000 0.907 342 D CB 0.834 41.636 40.800 0.002 0.000 1.195 342 D HN 0.826 nan 8.370 nan 0.000 0.429 343 A N 0.690 123.507 122.820 -0.006 0.000 2.440 343 A HA 0.474 4.794 4.320 -0.001 0.000 0.251 343 A C 0.302 177.883 177.584 -0.005 0.000 1.089 343 A CA -0.197 51.837 52.037 -0.004 0.000 0.779 343 A CB -0.491 18.510 19.000 0.001 0.000 1.022 343 A HN 0.832 nan 8.150 nan 0.000 0.492 344 C N 3.228 122.526 119.300 -0.003 0.000 2.634 344 C HA 0.754 5.214 4.460 -0.001 0.000 0.313 344 C C 0.656 175.659 174.990 0.022 0.000 1.198 344 C CA -0.869 58.150 59.018 0.000 0.000 1.605 344 C CB 0.159 27.887 27.740 -0.020 0.000 2.196 344 C HN 1.072 nan 8.230 nan 0.000 0.486 345 I N 1.974 122.562 120.570 0.029 0.000 3.161 345 I HA 0.548 4.718 4.170 -0.001 0.000 0.284 345 I C 0.551 176.714 176.117 0.078 0.000 1.252 345 I CA 0.628 61.953 61.300 0.041 0.000 1.374 345 I CB 0.290 38.306 38.000 0.027 0.000 1.359 345 I HN 0.856 nan 8.210 nan 0.000 0.606 346 G N 2.300 111.152 108.800 0.086 0.000 2.552 346 G HA2 0.149 4.109 3.960 -0.001 0.000 0.318 346 G HA3 0.149 4.109 3.960 -0.001 0.000 0.318 346 G C 0.107 175.126 174.900 0.199 0.000 1.240 346 G CA -0.736 44.458 45.100 0.156 0.000 1.002 346 G HN 1.081 nan 8.290 nan 0.000 0.493 347 W N 0.120 121.455 121.300 0.059 0.000 2.317 347 W HA -0.201 4.459 4.660 -0.000 0.000 0.318 347 W C 2.357 178.878 176.519 0.003 0.000 1.227 347 W CA 2.494 59.855 57.345 0.027 0.000 1.269 347 W CB -0.159 29.299 29.460 -0.004 0.000 1.155 347 W HN 0.678 nan 8.180 nan 0.000 0.484 348 E N 0.027 120.190 120.200 -0.062 0.000 2.150 348 E HA -0.177 4.173 4.350 -0.001 0.000 0.193 348 E C 1.613 178.079 176.600 -0.223 0.000 0.985 348 E CA 1.993 58.266 56.400 -0.211 0.000 0.814 348 E CB -1.445 28.244 29.700 -0.019 0.000 0.752 348 E HN 0.384 nan 8.360 nan 0.000 0.466 349 T N 0.418 114.894 114.554 -0.130 0.000 2.951 349 T HA -0.105 4.245 4.350 -0.001 0.000 0.268 349 T C 2.203 176.799 174.700 -0.175 0.000 1.073 349 T CA 1.369 63.399 62.100 -0.116 0.000 1.134 349 T CB -0.265 68.573 68.868 -0.050 0.000 0.884 349 T HN 0.514 nan 8.240 nan 0.000 0.479 350 T N 1.945 116.348 114.554 -0.253 0.000 2.643 350 T HA -0.108 4.241 4.350 -0.001 0.000 0.264 350 T C 1.844 176.276 174.700 -0.448 0.000 1.045 350 T CA 1.108 63.022 62.100 -0.309 0.000 1.155 350 T CB -0.336 68.358 68.868 -0.290 0.000 0.863 350 T HN 0.449 nan 8.240 nan 0.000 0.420 351 E N 0.697 120.430 120.200 -0.778 0.000 2.164 351 E HA -0.274 4.075 4.350 -0.001 0.000 0.206 351 E C 2.294 178.702 176.600 -0.320 0.000 1.032 351 E CA 1.947 57.969 56.400 -0.631 0.000 0.832 351 E CB -0.208 29.072 29.700 -0.701 0.000 0.742 351 E HN 0.783 nan 8.360 nan 0.000 0.460 352 D N -0.597 119.655 120.400 -0.246 0.000 2.269 352 D HA 0.009 4.649 4.640 -0.001 0.000 0.220 352 D C 2.052 178.288 176.300 -0.105 0.000 0.962 352 D CA 0.752 54.663 54.000 -0.147 0.000 0.884 352 D CB -0.672 40.058 40.800 -0.117 0.000 1.023 352 D HN 0.020 nan 8.370 nan 0.000 0.484 353 V N 0.958 120.814 119.914 -0.097 0.000 2.250 353 V HA -0.297 3.822 4.120 -0.001 0.000 0.253 353 V C 2.909 178.978 176.094 -0.042 0.000 1.065 353 V CA 1.923 64.199 62.300 -0.039 0.000 1.039 353 V CB -0.579 31.243 31.823 -0.001 0.000 0.647 353 V HN 0.550 nan 8.190 nan 0.000 0.446 354 L N -1.182 119.984 121.223 -0.095 0.000 2.141 354 L HA -0.113 4.226 4.340 -0.001 0.000 0.209 354 L C 2.749 179.576 176.870 -0.072 0.000 1.094 354 L CA 1.296 56.083 54.840 -0.088 0.000 0.763 354 L CB -0.532 41.451 42.059 -0.127 0.000 0.908 354 L HN 0.222 nan 8.230 nan 0.000 0.437 355 R N 0.390 120.840 120.500 -0.084 0.000 2.119 355 R HA -0.110 4.230 4.340 -0.001 0.000 0.222 355 R C 2.623 178.897 176.300 -0.043 0.000 1.088 355 R CA 1.421 57.483 56.100 -0.063 0.000 0.984 355 R CB -0.212 30.044 30.300 -0.073 0.000 0.884 355 R HN 0.320 nan 8.270 nan 0.000 0.447 356 K N 1.338 121.714 120.400 -0.040 0.000 2.031 356 K HA -0.009 4.311 4.320 -0.001 0.000 0.205 356 K C 2.061 178.653 176.600 -0.012 0.000 1.049 356 K CA 0.827 57.098 56.287 -0.026 0.000 0.939 356 K CB -0.984 31.500 32.500 -0.027 0.000 0.717 356 K HN 0.087 nan 8.250 nan 0.000 0.438 357 L N 0.121 121.341 121.223 -0.004 0.000 1.997 357 L HA -0.260 4.080 4.340 -0.001 0.000 0.216 357 L C 3.017 179.882 176.870 -0.008 0.000 1.074 357 L CA 1.870 56.714 54.840 0.007 0.000 0.763 357 L CB -0.560 41.503 42.059 0.007 0.000 0.890 357 L HN 0.527 nan 8.230 nan 0.000 0.434 358 A N -0.498 122.309 122.820 -0.020 0.000 1.883 358 A HA -0.241 4.078 4.320 -0.001 0.000 0.217 358 A C 2.430 180.005 177.584 -0.015 0.000 1.186 358 A CA 1.976 54.000 52.037 -0.021 0.000 0.624 358 A CB -0.799 18.184 19.000 -0.027 0.000 0.822 358 A HN 0.538 nan 8.150 nan 0.000 0.444 359 A N -0.295 122.516 122.820 -0.016 0.000 1.933 359 A HA 0.167 4.486 4.320 -0.001 0.000 0.218 359 A C 2.448 180.028 177.584 -0.008 0.000 1.175 359 A CA 2.014 54.044 52.037 -0.012 0.000 0.628 359 A CB -0.950 18.041 19.000 -0.014 0.000 0.814 359 A HN 1.147 nan 8.150 nan 0.000 0.444 360 A N -0.883 121.934 122.820 -0.004 0.000 2.067 360 A HA 0.109 4.429 4.320 -0.001 0.000 0.219 360 A C 2.135 179.719 177.584 0.001 0.000 1.158 360 A CA 1.593 53.631 52.037 0.001 0.000 0.661 360 A CB -0.522 18.482 19.000 0.007 0.000 0.801 360 A HN 0.335 nan 8.150 nan 0.000 0.452 361 V N -0.561 119.352 119.914 -0.002 0.000 2.379 361 V HA -0.162 3.958 4.120 -0.001 0.000 0.243 361 V C 2.511 178.603 176.094 -0.005 0.000 1.035 361 V CA 1.746 64.043 62.300 -0.004 0.000 1.035 361 V CB -0.649 31.168 31.823 -0.010 0.000 0.673 361 V HN 0.529 nan 8.190 nan 0.000 0.457 362 R N -0.322 120.174 120.500 -0.007 0.000 2.113 362 R HA -0.271 4.068 4.340 -0.001 0.000 0.244 362 R C 2.416 178.714 176.300 -0.004 0.000 1.142 362 R CA 1.933 58.030 56.100 -0.006 0.000 0.953 362 R CB -0.396 29.900 30.300 -0.008 0.000 0.860 362 R HN 0.352 nan 8.270 nan 0.000 0.438 363 Q N 0.425 120.223 119.800 -0.003 0.000 2.226 363 Q HA -0.138 4.201 4.340 -0.001 0.000 0.204 363 Q C 1.888 177.889 176.000 0.001 0.000 0.975 363 Q CA 1.401 57.203 55.803 -0.001 0.000 0.866 363 Q CB -0.230 28.508 28.738 -0.000 0.000 0.915 363 Q HN 0.233 nan 8.270 nan 0.000 0.440 364 R N -0.017 120.484 120.500 0.001 0.000 2.073 364 R HA -0.064 4.276 4.340 -0.001 0.000 0.229 364 R C 2.014 178.315 176.300 0.001 0.000 1.120 364 R CA 1.116 57.218 56.100 0.003 0.000 0.967 364 R CB -0.008 30.294 30.300 0.004 0.000 0.862 364 R HN 0.143 nan 8.270 nan 0.000 0.436 365 R N 0.485 120.985 120.500 -0.001 0.000 2.103 365 R HA -0.182 4.157 4.340 -0.001 0.000 0.242 365 R C 2.208 178.508 176.300 -0.000 0.000 1.142 365 R CA 2.049 58.148 56.100 -0.001 0.000 0.960 365 R CB -0.269 30.030 30.300 -0.003 0.000 0.858 365 R HN 0.226 nan 8.270 nan 0.000 0.439 366 E N 0.065 120.265 120.200 -0.000 0.000 2.013 366 E HA -0.185 4.165 4.350 -0.001 0.000 0.202 366 E C 1.973 178.574 176.600 0.001 0.000 1.018 366 E CA 1.622 58.022 56.400 0.000 0.000 0.834 366 E CB -0.469 29.231 29.700 -0.000 0.000 0.770 366 E HN 0.034 nan 8.360 nan 0.000 0.459 367 V N 0.718 120.633 119.914 0.002 0.000 2.453 367 V HA -0.284 3.836 4.120 -0.001 0.000 0.252 367 V C 1.301 177.398 176.094 0.004 0.000 1.068 367 V CA 1.697 63.999 62.300 0.003 0.000 1.070 367 V CB -1.906 29.919 31.823 0.005 0.000 0.664 367 V HN 0.450 nan 8.190 nan 0.000 0.461 368 N N -0.212 118.490 118.700 0.004 0.000 2.483 368 N HA 0.646 5.385 4.740 -0.001 0.000 0.269 368 N C -0.235 175.277 175.510 0.003 0.000 1.209 368 N CA 0.543 53.596 53.050 0.004 0.000 0.969 368 N CB 0.693 39.182 38.487 0.004 0.000 1.173 368 N HN 0.729 nan 8.380 nan 0.000 0.475 369 K N 0.000 120.402 120.400 0.004 0.000 2.780 369 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 369 K CA 0.000 nan 56.287 nan 0.000 0.838 369 K CB 0.000 nan 32.500 nan 0.000 1.064 369 K HN 0.000 nan 8.250 nan 0.000 0.543