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 2cb6_1_J DATA FIRST_RESID 37 DATA SEQUENCE DNTWIQAASL TWLXXXXXLL YQLISTRIPS FASPNGLHMR EQTIDSNTGQ DATA SEQUENCE IQIDNEHRLL RWDRRPPNDI FLNGFIPRVT NQNLSPVEDT HLLNYLRTNS DATA SEQUENCE PSIFVSTTRA RYNNLGLEIT PWTPHSANNN IIYRYEIFAP GGIDINASFS DATA SEQUENCE RNHNPFPNQD EITFPGGIRP EFIRSTYEYH NGEIVRIWIN PNFINPSTLN DATA SEQUENCE DVSGPSNISK VFWHENHSEG NNMDSXXXXX XXXXXQDFDM FAPNGEIPNN DATA SEQUENCE NLL 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 37 D HA 0.000 nan 4.640 nan 0.000 0.175 37 D C 0.000 176.408 176.300 0.180 0.000 2.045 37 D CA 0.000 54.046 54.000 0.077 0.000 0.868 37 D CB 0.000 40.833 40.800 0.054 0.000 0.688 38 N N 0.513 119.306 118.700 0.154 0.000 3.167 38 N HA 0.093 4.833 4.740 -0.000 0.000 0.318 38 N C 0.409 175.969 175.510 0.085 0.000 1.268 38 N CA 0.260 53.392 53.050 0.138 0.000 1.197 38 N CB -0.094 38.412 38.487 0.031 0.000 1.464 38 N HN 0.440 nan 8.380 nan 0.000 0.555 39 T N -1.397 113.269 114.554 0.187 0.000 3.033 39 T HA -0.040 4.309 4.350 -0.000 0.000 0.248 39 T C 1.861 176.646 174.700 0.141 0.000 1.040 39 T CA -0.155 62.016 62.100 0.119 0.000 1.133 39 T CB -0.064 68.873 68.868 0.116 0.000 0.895 39 T HN 0.588 nan 8.240 nan 0.000 0.465 40 W N 4.076 125.372 121.300 -0.007 0.000 2.325 40 W HA -0.080 4.579 4.660 -0.000 0.000 0.299 40 W C 1.263 177.797 176.519 0.025 0.000 1.215 40 W CA 0.917 58.261 57.345 -0.002 0.000 1.244 40 W CB -1.226 28.231 29.460 -0.005 0.000 1.140 40 W HN 0.397 nan 8.180 nan 0.000 0.523 41 I N -0.705 119.533 120.570 -0.553 0.000 3.941 41 I HA 0.235 4.404 4.170 -0.000 0.000 0.335 41 I C 2.148 178.099 176.117 -0.277 0.000 1.402 41 I CA -0.023 60.956 61.300 -0.534 0.000 1.112 41 I CB -0.358 37.102 38.000 -0.900 0.000 1.043 41 I HN 0.023 nan 8.210 nan 0.000 0.395 42 Q N 2.278 121.982 119.800 -0.161 0.000 2.291 42 Q HA -0.078 4.262 4.340 -0.000 0.000 0.205 42 Q C 2.064 178.012 176.000 -0.087 0.000 0.970 42 Q CA 1.526 57.276 55.803 -0.089 0.000 0.876 42 Q CB 0.144 28.866 28.738 -0.027 0.000 0.935 42 Q HN 0.737 nan 8.270 nan 0.000 0.455 43 A N 0.125 122.832 122.820 -0.189 0.000 2.218 43 A HA 0.397 4.717 4.320 -0.000 0.000 0.209 43 A C 0.908 178.421 177.584 -0.119 0.000 1.168 43 A CA 0.423 52.247 52.037 -0.355 0.000 0.804 43 A CB -0.214 18.345 19.000 -0.736 0.000 0.834 43 A HN 0.395 nan 8.150 nan 0.000 0.482 44 A N 1.123 123.869 122.820 -0.124 0.000 2.572 44 A HA 0.230 4.549 4.320 -0.000 0.000 0.256 44 A C 1.534 179.041 177.584 -0.129 0.000 1.041 44 A CA 0.776 52.722 52.037 -0.151 0.000 0.790 44 A CB -0.213 18.647 19.000 -0.233 0.000 0.947 44 A HN 1.182 nan 8.150 nan 0.000 0.518 45 S N 2.650 118.271 115.700 -0.132 0.000 2.561 45 S HA 0.089 4.559 4.470 -0.000 0.000 0.225 45 S C 0.393 174.875 174.600 -0.196 0.000 0.977 45 S CA 0.294 58.424 58.200 -0.116 0.000 0.926 45 S CB -0.425 62.722 63.200 -0.087 0.000 0.769 45 S HN 0.573 nan 8.310 nan 0.000 0.533 46 L N 3.073 124.099 121.223 -0.329 0.000 2.272 46 L HA 0.302 4.642 4.340 -0.000 0.000 0.284 46 L C 1.651 178.197 176.870 -0.540 0.000 1.045 46 L CA -0.383 54.100 54.840 -0.595 0.000 0.842 46 L CB 1.142 42.621 42.059 -0.966 0.000 1.224 46 L HN 0.342 nan 8.230 nan 0.000 0.430 47 T N -1.480 112.871 114.554 -0.338 0.000 2.759 47 T HA -0.210 4.139 4.350 -0.000 0.000 0.269 47 T C 1.535 176.185 174.700 -0.083 0.000 1.042 47 T CA 1.274 63.287 62.100 -0.145 0.000 1.140 47 T CB -0.236 68.622 68.868 -0.017 0.000 0.864 47 T HN 0.776 nan 8.240 nan 0.000 0.455 48 W N 1.116 122.393 121.300 -0.039 0.000 2.518 48 W HA 0.397 5.057 4.660 -0.000 0.000 0.273 48 W C 0.853 177.341 176.519 -0.052 0.000 1.247 48 W CA -0.979 56.342 57.345 -0.040 0.000 1.288 48 W CB -1.178 28.262 29.460 -0.035 0.000 1.107 48 W HN 0.165 nan 8.180 nan 0.000 0.586 56 L N 0.084 121.449 121.223 0.236 0.000 2.056 56 L HA -0.035 4.305 4.340 -0.000 0.000 0.207 56 L C 2.323 179.421 176.870 0.379 0.000 1.078 56 L CA 2.634 57.627 54.840 0.255 0.000 0.749 56 L CB -0.838 41.343 42.059 0.202 0.000 0.901 56 L HN 0.551 nan 8.230 nan 0.000 0.433 57 Y N 0.121 120.652 120.300 0.386 0.000 2.181 57 Y HA -0.272 4.277 4.550 -0.000 0.000 0.288 57 Y C 2.549 178.502 175.900 0.088 0.000 1.146 57 Y CA 2.122 60.359 58.100 0.228 0.000 1.164 57 Y CB -0.157 38.289 38.460 -0.025 0.000 0.982 57 Y HN 0.347 nan 8.280 nan 0.000 0.515 58 Q N -0.574 119.303 119.800 0.129 0.000 2.230 58 Q HA -0.135 4.204 4.340 -0.000 0.000 0.202 58 Q C 2.107 178.086 176.000 -0.035 0.000 0.963 58 Q CA 1.206 57.006 55.803 -0.006 0.000 0.866 58 Q CB -0.216 28.576 28.738 0.090 0.000 0.931 58 Q HN 0.484 nan 8.270 nan 0.000 0.452 59 L N 0.376 121.622 121.223 0.039 0.000 2.131 59 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 59 L C 1.684 178.586 176.870 0.054 0.000 1.092 59 L CA 1.713 56.586 54.840 0.056 0.000 0.759 59 L CB -0.052 42.063 42.059 0.095 0.000 0.903 59 L HN 0.227 nan 8.230 nan 0.000 0.435 60 I N -1.864 118.720 120.570 0.025 0.000 2.867 60 I HA -0.065 4.104 4.170 -0.000 0.000 0.265 60 I C 2.317 178.389 176.117 -0.075 0.000 1.162 60 I CA 0.976 62.311 61.300 0.058 0.000 1.471 60 I CB -0.247 37.851 38.000 0.164 0.000 1.123 60 I HN 0.375 nan 8.210 nan 0.000 0.440 61 S N 0.465 115.977 115.700 -0.312 0.000 2.441 61 S HA -0.103 4.366 4.470 -0.000 0.000 0.224 61 S C 1.970 176.449 174.600 -0.202 0.000 1.043 61 S CA 1.033 58.998 58.200 -0.391 0.000 0.948 61 S CB -0.636 62.021 63.200 -0.905 0.000 0.810 61 S HN 0.462 nan 8.310 nan 0.000 0.504 62 T N -0.865 113.602 114.554 -0.144 0.000 3.215 62 T HA 0.270 4.620 4.350 -0.000 0.000 0.254 62 T C 1.488 176.181 174.700 -0.013 0.000 1.149 62 T CA 0.011 62.074 62.100 -0.061 0.000 1.042 62 T CB -0.319 68.529 68.868 -0.034 0.000 0.966 62 T HN 0.365 nan 8.240 nan 0.000 0.534 63 R N -0.170 120.337 120.500 0.013 0.000 2.195 63 R HA 0.364 4.704 4.340 -0.000 0.000 0.197 63 R C 0.226 176.581 176.300 0.091 0.000 0.990 63 R CA -0.053 56.088 56.100 0.069 0.000 1.048 63 R CB 0.105 30.489 30.300 0.140 0.000 0.997 63 R HN 0.419 nan 8.270 nan 0.000 0.502 64 I N 4.021 124.632 120.570 0.070 0.000 2.578 64 I HA 0.013 4.182 4.170 -0.000 0.000 0.286 64 I C -2.011 174.147 176.117 0.069 0.000 1.126 64 I CA -1.469 59.883 61.300 0.087 0.000 1.380 64 I CB 0.262 38.311 38.000 0.081 0.000 1.408 64 I HN -0.126 nan 8.210 nan 0.000 0.532 65 P HA 0.112 nan 4.420 nan 0.000 0.272 65 P C 0.304 177.668 177.300 0.106 0.000 1.223 65 P CA -0.263 62.891 63.100 0.089 0.000 0.784 65 P CB 0.623 32.386 31.700 0.104 0.000 0.923 66 S N 0.380 116.134 115.700 0.091 0.000 2.603 66 S HA -0.079 4.391 4.470 -0.000 0.000 0.229 66 S C 1.229 175.912 174.600 0.137 0.000 0.972 66 S CA 0.250 58.500 58.200 0.084 0.000 0.935 66 S CB -0.927 62.307 63.200 0.057 0.000 0.769 66 S HN 0.518 nan 8.310 nan 0.000 0.536 67 F N 2.377 122.325 119.950 -0.004 0.000 2.293 67 F HA 0.172 4.699 4.527 -0.000 0.000 0.297 67 F C 2.178 178.001 175.800 0.037 0.000 1.089 67 F CA 0.728 58.699 58.000 -0.048 0.000 1.377 67 F CB -0.415 38.492 39.000 -0.156 0.000 1.051 67 F HN 0.208 nan 8.300 nan 0.000 0.511 68 A N -0.901 122.015 122.820 0.161 0.000 1.874 68 A HA 0.031 4.351 4.320 -0.000 0.000 0.214 68 A C 1.389 179.175 177.584 0.336 0.000 1.189 68 A CA 1.065 53.210 52.037 0.180 0.000 0.615 68 A CB -0.889 18.255 19.000 0.239 0.000 0.830 68 A HN 0.305 nan 8.150 nan 0.000 0.443 69 S N -0.164 115.647 115.700 0.184 0.000 2.269 69 S HA 0.405 4.875 4.470 -0.000 0.000 0.194 69 S C -1.633 172.942 174.600 -0.042 0.000 1.547 69 S CA -1.098 57.066 58.200 -0.060 0.000 1.186 69 S CB 1.200 64.197 63.200 -0.339 0.000 1.069 69 S HN 0.188 nan 8.310 nan 0.000 0.473 70 P HA -0.131 nan 4.420 nan 0.000 0.214 70 P C 0.482 177.778 177.300 -0.006 0.000 1.163 70 P CA 1.401 64.504 63.100 0.006 0.000 0.889 70 P CB -0.036 31.669 31.700 0.008 0.000 0.790 71 N N -0.182 118.517 118.700 -0.002 0.000 2.276 71 N HA 0.193 4.933 4.740 -0.000 0.000 0.212 71 N C 1.048 176.522 175.510 -0.059 0.000 1.127 71 N CA 0.825 53.898 53.050 0.037 0.000 0.834 71 N CB 0.516 39.084 38.487 0.136 0.000 1.014 71 N HN 0.242 nan 8.380 nan 0.000 0.491 72 G N 0.771 109.462 108.800 -0.181 0.000 2.796 72 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.571 72 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.571 72 G C -0.608 173.959 174.900 -0.555 0.000 1.370 72 G CA -0.803 44.095 45.100 -0.337 0.000 0.856 72 G HN 0.152 nan 8.290 nan 0.000 0.538 73 L N 1.062 121.984 121.223 -0.501 0.000 2.439 73 L HA 0.546 4.886 4.340 -0.000 0.000 0.261 73 L C 0.303 176.845 176.870 -0.546 0.000 1.153 73 L CA -0.570 54.004 54.840 -0.443 0.000 0.808 73 L CB 0.840 42.738 42.059 -0.268 0.000 1.126 73 L HN 0.692 nan 8.230 nan 0.000 0.460 74 H N 3.231 122.202 119.070 -0.165 0.000 3.224 74 H HA 0.249 4.805 4.556 -0.000 0.000 0.331 74 H C -0.775 174.483 175.328 -0.117 0.000 1.002 74 H CA -0.917 55.052 56.048 -0.133 0.000 1.473 74 H CB 1.553 31.241 29.762 -0.123 0.000 1.830 74 H HN 0.392 nan 8.280 nan 0.000 0.485 75 M N 1.177 120.765 119.600 -0.019 0.000 2.157 75 M HA 0.271 4.751 4.480 -0.000 0.000 0.304 75 M C 1.208 177.514 176.300 0.010 0.000 1.171 75 M CA -0.200 55.090 55.300 -0.017 0.000 1.157 75 M CB 0.238 32.819 32.600 -0.031 0.000 1.403 75 M HN 0.463 nan 8.290 nan 0.000 0.473 76 R N 0.177 120.685 120.500 0.013 0.000 2.995 76 R HA 0.236 4.576 4.340 -0.000 0.000 0.287 76 R C -0.252 176.086 176.300 0.063 0.000 1.168 76 R CA 0.234 56.362 56.100 0.047 0.000 1.183 76 R CB 0.491 30.835 30.300 0.073 0.000 1.157 76 R HN 0.601 nan 8.270 nan 0.000 0.577 77 E N -0.541 119.721 120.200 0.103 0.000 2.412 77 E HA 0.085 4.434 4.350 -0.000 0.000 0.279 77 E C -1.237 175.426 176.600 0.105 0.000 0.984 77 E CA -0.607 55.840 56.400 0.080 0.000 0.788 77 E CB 2.053 31.788 29.700 0.059 0.000 1.277 77 E HN 0.444 nan 8.360 nan 0.000 0.455 78 Q N -0.722 119.094 119.800 0.027 0.000 2.480 78 Q HA -0.230 4.110 4.340 -0.000 0.000 0.265 78 Q C 0.824 176.646 176.000 -0.296 0.000 1.072 78 Q CA 1.289 57.068 55.803 -0.040 0.000 1.018 78 Q CB -2.112 26.667 28.738 0.068 0.000 1.433 78 Q HN 0.737 nan 8.270 nan 0.000 0.513 79 T N -3.093 111.328 114.554 -0.221 0.000 3.085 79 T HA 0.208 4.558 4.350 -0.000 0.000 0.263 79 T C 0.734 175.354 174.700 -0.134 0.000 1.127 79 T CA 0.574 62.520 62.100 -0.257 0.000 1.103 79 T CB 0.259 69.117 68.868 -0.016 0.000 0.921 79 T HN 0.379 nan 8.240 nan 0.000 0.510 80 I N 1.246 121.763 120.570 -0.088 0.000 2.569 80 I HA 0.351 4.520 4.170 -0.000 0.000 0.296 80 I C -0.810 175.286 176.117 -0.035 0.000 1.028 80 I CA -1.189 60.090 61.300 -0.035 0.000 1.082 80 I CB 2.042 40.042 38.000 -0.001 0.000 1.264 80 I HN -0.040 nan 8.210 nan 0.000 0.429 81 D N 3.311 123.699 120.400 -0.020 0.000 2.343 81 D HA 0.132 4.772 4.640 -0.000 0.000 0.255 81 D C 0.810 177.107 176.300 -0.005 0.000 1.187 81 D CA 0.412 54.405 54.000 -0.012 0.000 0.875 81 D CB 1.452 42.247 40.800 -0.009 0.000 1.136 81 D HN 0.425 nan 8.370 nan 0.000 0.469 82 S N 3.609 119.308 115.700 -0.002 0.000 2.345 82 S HA -0.150 4.320 4.470 -0.000 0.000 0.220 82 S C 1.634 176.235 174.600 0.001 0.000 1.031 82 S CA 0.623 58.824 58.200 0.001 0.000 0.996 82 S CB -0.116 63.085 63.200 0.003 0.000 0.882 82 S HN 0.594 nan 8.310 nan 0.000 0.445 83 N N 1.693 120.394 118.700 0.001 0.000 2.021 83 N HA -0.158 4.582 4.740 -0.000 0.000 0.198 83 N C 1.972 177.481 175.510 -0.001 0.000 1.041 83 N CA 2.274 55.324 53.050 0.000 0.000 0.862 83 N CB -1.249 37.239 38.487 0.000 0.000 1.048 83 N HN 0.659 nan 8.380 nan 0.000 0.427 84 T N -4.210 110.342 114.554 -0.003 0.000 3.031 84 T HA 0.348 4.698 4.350 -0.000 0.000 0.254 84 T C 1.512 176.209 174.700 -0.005 0.000 1.060 84 T CA 0.899 62.996 62.100 -0.005 0.000 1.135 84 T CB 0.086 68.949 68.868 -0.008 0.000 0.896 84 T HN 0.437 nan 8.240 nan 0.000 0.472 85 G N 1.384 110.183 108.800 -0.002 0.000 2.141 85 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.242 85 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.242 85 G C -0.122 174.780 174.900 0.003 0.000 0.982 85 G CA 0.042 45.144 45.100 0.002 0.000 0.662 85 G HN 0.679 nan 8.290 nan 0.000 0.527 86 Q N -0.703 119.095 119.800 -0.004 0.000 2.382 86 Q HA 0.561 4.901 4.340 -0.000 0.000 0.229 86 Q C 0.776 176.782 176.000 0.009 0.000 1.006 86 Q CA -0.381 55.417 55.803 -0.008 0.000 0.916 86 Q CB 1.140 29.867 28.738 -0.019 0.000 1.235 86 Q HN 0.450 nan 8.270 nan 0.000 0.512 87 I N 1.886 122.468 120.570 0.020 0.000 2.496 87 I HA -0.038 4.132 4.170 -0.000 0.000 0.285 87 I C 0.292 176.436 176.117 0.046 0.000 1.080 87 I CA -0.174 61.170 61.300 0.073 0.000 1.404 87 I CB 0.804 38.891 38.000 0.145 0.000 1.403 87 I HN 0.484 nan 8.210 nan 0.000 0.539 88 Q N 6.916 126.734 119.800 0.030 0.000 2.262 88 Q HA 0.202 4.542 4.340 -0.000 0.000 0.272 88 Q C -0.704 175.356 176.000 0.101 0.000 1.076 88 Q CA 0.748 56.555 55.803 0.005 0.000 0.905 88 Q CB 0.320 28.963 28.738 -0.158 0.000 1.182 88 Q HN 0.501 nan 8.270 nan 0.000 0.390 89 I N 5.099 125.675 120.570 0.010 0.000 2.620 89 I HA 0.257 4.427 4.170 -0.000 0.000 0.280 89 I C -0.765 175.315 176.117 -0.060 0.000 1.143 89 I CA -0.623 60.563 61.300 -0.190 0.000 1.163 89 I CB 0.025 37.780 38.000 -0.409 0.000 1.461 89 I HN 0.665 nan 8.210 nan 0.000 0.530 90 D N 1.227 121.759 120.400 0.219 0.000 2.727 90 D HA 0.278 4.917 4.640 -0.000 0.000 0.264 90 D C 0.460 176.941 176.300 0.302 0.000 1.101 90 D CA -0.684 53.438 54.000 0.203 0.000 1.122 90 D CB 0.484 41.384 40.800 0.166 0.000 1.390 90 D HN -0.147 nan 8.370 nan 0.000 0.606 91 N N -0.556 118.195 118.700 0.086 0.000 2.216 91 N HA -0.061 4.678 4.740 -0.000 0.000 0.183 91 N C 1.133 176.667 175.510 0.041 0.000 1.017 91 N CA 0.855 53.873 53.050 -0.053 0.000 0.861 91 N CB -0.186 37.942 38.487 -0.598 0.000 0.986 91 N HN 0.436 nan 8.380 nan 0.000 0.428 92 E N -0.088 120.102 120.200 -0.017 0.000 2.118 92 E HA -0.127 4.222 4.350 -0.000 0.000 0.195 92 E C 0.724 177.166 176.600 -0.263 0.000 0.992 92 E CA 1.286 57.589 56.400 -0.162 0.000 0.804 92 E CB -0.283 29.235 29.700 -0.304 0.000 0.741 92 E HN 0.609 nan 8.360 nan 0.000 0.458 93 H N -1.253 117.923 119.070 0.176 0.000 2.520 93 H HA 0.262 4.818 4.556 -0.000 0.000 0.284 93 H C 0.073 175.493 175.328 0.154 0.000 1.037 93 H CA -0.324 55.838 56.048 0.190 0.000 1.168 93 H CB 0.248 30.146 29.762 0.227 0.000 1.497 93 H HN -0.140 nan 8.280 nan 0.000 0.547 94 R N 1.497 122.103 120.500 0.177 0.000 2.389 94 R HA 0.339 4.679 4.340 -0.000 0.000 0.295 94 R C -1.010 175.206 176.300 -0.140 0.000 1.075 94 R CA -0.091 55.903 56.100 -0.177 0.000 1.005 94 R CB 0.332 30.661 30.300 0.049 0.000 0.987 94 R HN 0.200 nan 8.270 nan 0.000 0.452 95 L N 5.182 126.233 121.223 -0.287 0.000 2.333 95 L HA 0.603 4.943 4.340 -0.000 0.000 0.263 95 L C -0.937 175.836 176.870 -0.161 0.000 1.014 95 L CA -1.104 53.663 54.840 -0.122 0.000 0.820 95 L CB 2.031 44.082 42.059 -0.013 0.000 1.352 95 L HN 0.521 nan 8.230 nan 0.000 0.421 96 L N 1.306 122.464 121.223 -0.109 0.000 2.393 96 L HA 0.698 5.038 4.340 -0.000 0.000 0.260 96 L C -0.787 176.000 176.870 -0.138 0.000 1.002 96 L CA -0.672 54.069 54.840 -0.164 0.000 0.818 96 L CB 2.459 44.365 42.059 -0.254 0.000 1.369 96 L HN 0.517 nan 8.230 nan 0.000 0.412 97 R N 0.846 121.251 120.500 -0.158 0.000 2.514 97 R HA 0.386 4.726 4.340 -0.000 0.000 0.296 97 R C -2.131 174.166 176.300 -0.005 0.000 1.012 97 R CA -0.439 55.590 56.100 -0.118 0.000 0.897 97 R CB 1.217 31.297 30.300 -0.366 0.000 1.184 97 R HN 0.544 nan 8.270 nan 0.000 0.440 98 W N 4.023 125.417 121.300 0.157 0.000 2.335 98 W HA 0.318 4.978 4.660 -0.000 0.000 0.306 98 W C 0.068 176.732 176.519 0.242 0.000 1.216 98 W CA 0.095 57.578 57.345 0.229 0.000 1.237 98 W CB 1.004 30.596 29.460 0.220 0.000 1.243 98 W HN 0.347 nan 8.180 nan 0.000 0.493 99 D N 1.611 122.349 120.400 0.565 0.000 2.756 99 D HA 0.289 4.929 4.640 -0.000 0.000 0.226 99 D C 0.449 177.073 176.300 0.540 0.000 1.186 99 D CA -0.632 53.655 54.000 0.479 0.000 0.845 99 D CB 1.860 42.924 40.800 0.440 0.000 1.610 99 D HN 0.371 nan 8.370 nan 0.000 0.465 100 R N 1.247 121.990 120.500 0.405 0.000 2.334 100 R HA 0.197 4.537 4.340 -0.000 0.000 0.216 100 R C 0.344 176.871 176.300 0.379 0.000 0.905 100 R CA -0.085 56.247 56.100 0.388 0.000 1.064 100 R CB 0.736 31.182 30.300 0.244 0.000 1.046 100 R HN 0.059 nan 8.270 nan 0.000 0.508 101 R N 2.042 122.714 120.500 0.286 0.000 2.357 101 R HA 0.224 4.564 4.340 -0.000 0.000 0.296 101 R C -2.308 173.877 176.300 -0.191 0.000 1.052 101 R CA -1.867 54.282 56.100 0.082 0.000 0.988 101 R CB 0.637 30.946 30.300 0.014 0.000 1.025 101 R HN -0.065 nan 8.270 nan 0.000 0.469 102 P HA 0.093 nan 4.420 nan 0.000 0.274 102 P C -2.131 174.682 177.300 -0.811 0.000 1.246 102 P CA -1.613 60.988 63.100 -0.832 0.000 0.795 102 P CB 0.520 32.018 31.700 -0.336 0.000 1.006 103 P HA -0.190 nan 4.420 nan 0.000 0.218 103 P C 1.073 177.755 177.300 -1.030 0.000 1.148 103 P CA 1.450 63.699 63.100 -1.418 0.000 0.822 103 P CB -0.250 30.211 31.700 -2.065 0.000 0.784 104 N N -0.265 118.163 118.700 -0.453 0.000 2.258 104 N HA -0.163 4.577 4.740 -0.000 0.000 0.187 104 N C 1.532 177.019 175.510 -0.038 0.000 1.012 104 N CA 1.370 54.480 53.050 0.100 0.000 0.870 104 N CB -0.706 37.847 38.487 0.110 0.000 0.977 104 N HN 0.228 nan 8.380 nan 0.000 0.434 105 D N -0.327 119.928 120.400 -0.241 0.000 2.355 105 D HA 0.029 4.669 4.640 -0.000 0.000 0.233 105 D C 1.910 178.003 176.300 -0.344 0.000 0.997 105 D CA 0.231 54.104 54.000 -0.212 0.000 0.920 105 D CB -0.007 40.678 40.800 -0.191 0.000 1.063 105 D HN -0.112 nan 8.370 nan 0.000 0.465 106 I N 1.042 121.292 120.570 -0.533 0.000 2.127 106 I HA -0.228 3.942 4.170 -0.000 0.000 0.241 106 I C 2.300 178.072 176.117 -0.575 0.000 1.075 106 I CA 0.951 61.815 61.300 -0.726 0.000 1.334 106 I CB -1.466 35.871 38.000 -1.105 0.000 1.040 106 I HN 0.062 nan 8.210 nan 0.000 0.405 107 F N 0.209 119.629 119.950 -0.883 0.000 2.451 107 F HA -0.126 4.401 4.527 -0.000 0.000 0.299 107 F C 2.193 177.539 175.800 -0.758 0.000 1.101 107 F CA 0.545 57.928 58.000 -1.029 0.000 1.436 107 F CB -0.943 36.909 39.000 -1.914 0.000 1.074 107 F HN 0.078 nan 8.300 nan 0.000 0.553 108 L N 0.246 121.263 121.223 -0.343 0.000 2.185 108 L HA 0.076 4.416 4.340 -0.000 0.000 0.198 108 L C 1.817 178.648 176.870 -0.065 0.000 1.079 108 L CA 1.731 56.562 54.840 -0.014 0.000 0.780 108 L CB -0.876 41.259 42.059 0.127 0.000 0.955 108 L HN -0.103 nan 8.230 nan 0.000 0.462 109 N N 0.056 118.675 118.700 -0.135 0.000 2.392 109 N HA 0.183 4.923 4.740 -0.000 0.000 0.177 109 N C 1.024 176.422 175.510 -0.186 0.000 1.066 109 N CA 0.867 53.842 53.050 -0.126 0.000 0.895 109 N CB 0.392 38.816 38.487 -0.105 0.000 0.988 109 N HN 0.475 nan 8.380 nan 0.000 0.457 110 G N 1.263 109.873 108.800 -0.318 0.000 2.642 110 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.231 110 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.231 110 G C -1.050 173.529 174.900 -0.536 0.000 1.338 110 G CA -0.604 44.240 45.100 -0.427 0.000 0.883 110 G HN 0.141 nan 8.290 nan 0.000 0.570 111 F N 0.642 120.499 119.950 -0.155 0.000 2.334 111 F HA 0.630 5.157 4.527 -0.000 0.000 0.367 111 F C 0.944 176.676 175.800 -0.115 0.000 1.115 111 F CA -0.614 57.294 58.000 -0.153 0.000 1.116 111 F CB 1.025 39.928 39.000 -0.162 0.000 1.230 111 F HN 0.367 nan 8.300 nan 0.000 0.484 112 I N 5.667 126.274 120.570 0.062 0.000 2.336 112 I HA 0.339 4.509 4.170 -0.000 0.000 0.292 112 I C -2.091 174.040 176.117 0.023 0.000 0.991 112 I CA -2.183 59.121 61.300 0.007 0.000 1.227 112 I CB 1.223 39.214 38.000 -0.014 0.000 1.366 112 I HN 0.316 nan 8.210 nan 0.000 0.466 113 P HA 0.081 nan 4.420 nan 0.000 0.270 113 P C 0.290 177.596 177.300 0.011 0.000 1.221 113 P CA -0.145 62.940 63.100 -0.025 0.000 0.788 113 P CB 0.553 32.189 31.700 -0.107 0.000 0.904 114 R N 0.137 120.653 120.500 0.027 0.000 2.189 114 R HA 0.012 4.352 4.340 -0.000 0.000 0.223 114 R C -0.009 176.320 176.300 0.048 0.000 1.092 114 R CA 0.724 56.853 56.100 0.049 0.000 0.989 114 R CB -0.207 30.134 30.300 0.068 0.000 0.876 114 R HN 0.283 nan 8.270 nan 0.000 0.457 115 V N 1.589 121.525 119.914 0.036 0.000 2.294 115 V HA 0.118 4.238 4.120 -0.000 0.000 0.272 115 V C 0.538 176.721 176.094 0.148 0.000 1.027 115 V CA -0.310 62.033 62.300 0.073 0.000 0.823 115 V CB 1.144 32.998 31.823 0.051 0.000 1.030 115 V HN 0.215 nan 8.190 nan 0.000 0.457 116 T N -0.366 114.304 114.554 0.193 0.000 3.331 116 T HA 0.299 4.648 4.350 -0.000 0.000 0.282 116 T C 0.202 175.169 174.700 0.444 0.000 1.010 116 T CA -0.455 61.845 62.100 0.333 0.000 0.928 116 T CB -0.345 68.632 68.868 0.181 0.000 1.154 116 T HN 0.390 nan 8.240 nan 0.000 0.516 117 N N 2.064 120.923 118.700 0.265 0.000 2.443 117 N HA 0.191 4.931 4.740 -0.000 0.000 0.269 117 N C 0.811 175.891 175.510 -0.718 0.000 0.985 117 N CA -0.303 52.676 53.050 -0.117 0.000 0.921 117 N CB 2.122 40.550 38.487 -0.098 0.000 1.195 117 N HN 0.421 nan 8.380 nan 0.000 0.492 118 Q N 2.402 121.383 119.800 -1.365 0.000 2.325 118 Q HA -0.207 4.133 4.340 -0.000 0.000 0.211 118 Q C 0.371 175.845 176.000 -0.878 0.000 0.988 118 Q CA 1.775 56.431 55.803 -1.912 0.000 0.887 118 Q CB 0.038 27.989 28.738 -1.312 0.000 0.915 118 Q HN 0.580 nan 8.270 nan 0.000 0.440 119 N N 0.270 118.657 118.700 -0.522 0.000 2.362 119 N HA 0.053 4.793 4.740 -0.000 0.000 0.211 119 N C -0.043 175.346 175.510 -0.202 0.000 1.170 119 N CA -0.145 52.736 53.050 -0.283 0.000 0.828 119 N CB -0.269 38.104 38.487 -0.190 0.000 1.034 119 N HN 0.122 nan 8.380 nan 0.000 0.475 120 L N -2.429 118.656 121.223 -0.230 0.000 2.489 120 L HA 0.197 4.537 4.340 -0.000 0.000 0.285 120 L C 0.027 176.866 176.870 -0.051 0.000 1.259 120 L CA -0.111 54.672 54.840 -0.095 0.000 0.828 120 L CB -0.526 41.522 42.059 -0.019 0.000 1.094 120 L HN 0.002 nan 8.230 nan 0.000 0.524 121 S N 1.986 117.677 115.700 -0.015 0.000 3.315 121 S HA 0.312 4.782 4.470 -0.000 0.000 0.195 121 S C -1.633 172.976 174.600 0.014 0.000 1.394 121 S CA -0.701 57.496 58.200 -0.004 0.000 0.983 121 S CB 0.148 63.349 63.200 0.002 0.000 1.370 121 S HN 0.704 nan 8.310 nan 0.000 0.491 122 P HA -0.226 nan 4.420 nan 0.000 0.222 122 P C 1.314 178.641 177.300 0.045 0.000 1.154 122 P CA 1.083 64.204 63.100 0.035 0.000 0.874 122 P CB -0.031 31.690 31.700 0.035 0.000 0.787 123 V N -0.622 119.310 119.914 0.030 0.000 2.379 123 V HA -0.165 3.955 4.120 -0.000 0.000 0.245 123 V C 2.194 178.311 176.094 0.039 0.000 1.044 123 V CA 1.970 64.283 62.300 0.022 0.000 1.036 123 V CB -1.141 30.676 31.823 -0.011 0.000 0.664 123 V HN 0.057 nan 8.190 nan 0.000 0.453 124 E N -0.199 120.028 120.200 0.045 0.000 2.442 124 E HA -0.030 4.320 4.350 -0.000 0.000 0.195 124 E C 1.116 177.784 176.600 0.115 0.000 1.030 124 E CA 0.415 56.860 56.400 0.076 0.000 0.869 124 E CB -0.025 29.707 29.700 0.053 0.000 0.857 124 E HN 0.588 nan 8.360 nan 0.000 0.505 125 D N -1.651 118.801 120.400 0.087 0.000 2.433 125 D HA 0.021 4.661 4.640 -0.000 0.000 0.211 125 D C 0.798 177.102 176.300 0.005 0.000 1.114 125 D CA 0.569 54.603 54.000 0.056 0.000 0.837 125 D CB 0.647 41.461 40.800 0.024 0.000 0.984 125 D HN 0.170 nan 8.370 nan 0.000 0.505 126 T N -3.073 111.544 114.554 0.104 0.000 3.200 126 T HA 0.048 4.398 4.350 -0.000 0.000 0.284 126 T C 0.294 175.261 174.700 0.446 0.000 1.009 126 T CA -0.423 61.763 62.100 0.144 0.000 0.907 126 T CB -0.543 68.387 68.868 0.104 0.000 1.120 126 T HN 0.121 nan 8.240 nan 0.000 0.534 127 H N 1.752 120.998 119.070 0.293 0.000 3.067 127 H HA 0.251 4.807 4.556 -0.000 0.000 0.265 127 H C 0.988 176.494 175.328 0.297 0.000 1.234 127 H CA -0.735 55.458 56.048 0.241 0.000 1.452 127 H CB 0.697 30.553 29.762 0.157 0.000 1.527 127 H HN 0.136 nan 8.280 nan 0.000 0.486 128 L N 5.143 126.410 121.223 0.072 0.000 1.961 128 L HA -0.211 4.128 4.340 -0.000 0.000 0.210 128 L C 2.004 178.725 176.870 -0.250 0.000 1.072 128 L CA 1.570 56.259 54.840 -0.252 0.000 0.749 128 L CB -0.708 41.189 42.059 -0.270 0.000 0.889 128 L HN 0.672 nan 8.230 nan 0.000 0.432 129 L N -0.059 120.943 121.223 -0.368 0.000 2.051 129 L HA -0.307 4.033 4.340 -0.000 0.000 0.214 129 L C 2.514 179.190 176.870 -0.324 0.000 1.076 129 L CA 1.990 56.599 54.840 -0.385 0.000 0.758 129 L CB -0.849 41.013 42.059 -0.328 0.000 0.890 129 L HN 0.511 nan 8.230 nan 0.000 0.433 130 N N -0.997 117.423 118.700 -0.467 0.000 2.244 130 N HA -0.249 4.491 4.740 -0.000 0.000 0.183 130 N C 2.008 177.534 175.510 0.025 0.000 1.016 130 N CA 1.174 54.182 53.050 -0.070 0.000 0.866 130 N CB 0.070 38.727 38.487 0.284 0.000 0.980 130 N HN 0.375 nan 8.380 nan 0.000 0.430 131 Y N 1.644 121.896 120.300 -0.080 0.000 2.184 131 Y HA -0.022 4.528 4.550 -0.000 0.000 0.290 131 Y C 2.161 178.008 175.900 -0.088 0.000 1.129 131 Y CA 1.206 59.281 58.100 -0.042 0.000 1.144 131 Y CB -0.535 37.947 38.460 0.036 0.000 0.995 131 Y HN -0.030 nan 8.280 nan 0.000 0.513 132 L N -0.040 121.026 121.223 -0.262 0.000 2.201 132 L HA -0.148 4.192 4.340 -0.000 0.000 0.212 132 L C 2.499 179.325 176.870 -0.074 0.000 1.105 132 L CA 1.579 56.238 54.840 -0.301 0.000 0.775 132 L CB -0.397 41.485 42.059 -0.295 0.000 0.913 132 L HN 0.132 nan 8.230 nan 0.000 0.440 133 R N -0.150 120.327 120.500 -0.039 0.000 2.156 133 R HA -0.060 4.280 4.340 -0.000 0.000 0.207 133 R C 2.052 178.483 176.300 0.218 0.000 1.040 133 R CA 1.615 57.774 56.100 0.098 0.000 1.013 133 R CB -0.017 30.317 30.300 0.056 0.000 0.931 133 R HN 0.362 nan 8.270 nan 0.000 0.465 134 T N -4.077 110.499 114.554 0.038 0.000 2.975 134 T HA 0.176 4.526 4.350 -0.000 0.000 0.261 134 T C 0.302 174.705 174.700 -0.496 0.000 0.984 134 T CA 0.312 62.383 62.100 -0.049 0.000 0.911 134 T CB 0.057 68.925 68.868 0.000 0.000 1.127 134 T HN 0.277 nan 8.240 nan 0.000 0.514 135 N N 1.516 119.788 118.700 -0.713 0.000 2.776 135 N HA -0.173 4.567 4.740 -0.000 0.000 0.250 135 N C -0.096 175.244 175.510 -0.283 0.000 1.112 135 N CA 0.777 53.318 53.050 -0.848 0.000 0.733 135 N CB -1.755 35.790 38.487 -1.569 0.000 1.097 135 N HN 0.882 nan 8.380 nan 0.000 0.558 136 S N -1.025 114.623 115.700 -0.086 0.000 2.579 136 S HA 0.466 4.936 4.470 -0.000 0.000 0.275 136 S C -2.257 172.430 174.600 0.145 0.000 1.345 136 S CA -1.015 57.210 58.200 0.042 0.000 1.031 136 S CB 0.981 64.233 63.200 0.086 0.000 0.892 136 S HN 0.125 nan 8.310 nan 0.000 0.529 137 P HA 0.174 nan 4.420 nan 0.000 0.264 137 P C -0.172 177.202 177.300 0.124 0.000 1.183 137 P CA 0.148 63.318 63.100 0.116 0.000 0.763 137 P CB 0.632 32.378 31.700 0.076 0.000 0.807 138 S N 2.042 117.790 115.700 0.079 0.000 2.843 138 S HA 0.452 4.922 4.470 -0.000 0.000 0.301 138 S C 0.608 175.090 174.600 -0.196 0.000 1.206 138 S CA -0.695 57.483 58.200 -0.036 0.000 0.875 138 S CB 0.349 63.571 63.200 0.036 0.000 1.248 138 S HN 0.342 nan 8.310 nan 0.000 0.555 139 I N -1.404 118.874 120.570 -0.486 0.000 3.883 139 I HA 0.494 4.664 4.170 -0.000 0.000 0.326 139 I C -0.852 174.903 176.117 -0.602 0.000 1.283 139 I CA -0.408 60.590 61.300 -0.503 0.000 1.161 139 I CB -0.320 37.344 38.000 -0.559 0.000 1.012 139 I HN 0.248 nan 8.210 nan 0.000 0.421 140 F N 1.444 121.182 119.950 -0.352 0.000 2.379 140 F HA 0.596 5.123 4.527 -0.000 0.000 0.332 140 F C 0.217 175.823 175.800 -0.324 0.000 1.096 140 F CA -0.890 56.846 58.000 -0.440 0.000 1.105 140 F CB 1.295 39.766 39.000 -0.883 0.000 1.189 140 F HN -0.325 nan 8.300 nan 0.000 0.515 141 V N 1.886 121.853 119.914 0.088 0.000 2.577 141 V HA 0.371 4.490 4.120 -0.000 0.000 0.303 141 V C -0.458 175.741 176.094 0.175 0.000 1.042 141 V CA -0.741 61.619 62.300 0.100 0.000 0.872 141 V CB 1.858 33.718 31.823 0.062 0.000 0.998 141 V HN 0.817 nan 8.190 nan 0.000 0.423 142 S N 3.068 118.859 115.700 0.151 0.000 2.585 142 S HA 0.832 5.301 4.470 -0.000 0.000 0.277 142 S C 0.126 174.734 174.600 0.012 0.000 1.241 142 S CA -0.464 57.807 58.200 0.118 0.000 1.041 142 S CB 1.674 64.936 63.200 0.103 0.000 0.987 142 S HN 1.014 nan 8.310 nan 0.000 0.512 143 T N -1.091 113.486 114.554 0.039 0.000 2.843 143 T HA 0.686 5.036 4.350 -0.000 0.000 0.302 143 T C -0.761 173.928 174.700 -0.018 0.000 1.232 143 T CA -0.744 61.362 62.100 0.011 0.000 1.009 143 T CB 1.788 70.729 68.868 0.122 0.000 1.254 143 T HN 0.430 nan 8.240 nan 0.000 0.504 144 T N 0.436 114.983 114.554 -0.011 0.000 2.861 144 T HA 0.524 4.874 4.350 -0.000 0.000 0.287 144 T C -0.220 174.494 174.700 0.023 0.000 1.003 144 T CA -0.755 61.339 62.100 -0.011 0.000 0.977 144 T CB 0.993 69.882 68.868 0.035 0.000 0.996 144 T HN 0.707 nan 8.240 nan 0.000 0.448 145 R N 1.849 122.364 120.500 0.025 0.000 2.698 145 R HA 0.413 4.752 4.340 -0.000 0.000 0.266 145 R C 0.335 176.651 176.300 0.028 0.000 1.026 145 R CA -0.180 55.939 56.100 0.032 0.000 1.102 145 R CB 0.317 30.638 30.300 0.035 0.000 0.978 145 R HN 0.693 nan 8.270 nan 0.000 0.436 146 A N 3.465 126.294 122.820 0.014 0.000 2.354 146 A HA 0.290 4.610 4.320 -0.000 0.000 0.269 146 A C -0.120 177.384 177.584 -0.134 0.000 1.109 146 A CA -0.424 51.573 52.037 -0.066 0.000 0.800 146 A CB 0.542 19.525 19.000 -0.029 0.000 1.045 146 A HN 0.673 nan 8.150 nan 0.000 0.489 147 R N 0.646 120.969 120.500 -0.295 0.000 2.407 147 R HA 0.576 4.916 4.340 -0.000 0.000 0.303 147 R C -1.686 174.282 176.300 -0.554 0.000 0.981 147 R CA -0.178 55.769 56.100 -0.255 0.000 0.905 147 R CB 1.264 31.514 30.300 -0.082 0.000 1.099 147 R HN 0.739 nan 8.270 nan 0.000 0.459 148 Y N 0.693 121.020 120.300 0.044 0.000 2.553 148 Y HA 0.209 4.759 4.550 -0.000 0.000 0.347 148 Y C 0.284 176.205 175.900 0.035 0.000 1.019 148 Y CA -1.286 56.840 58.100 0.043 0.000 1.032 148 Y CB 1.393 39.878 38.460 0.042 0.000 1.284 148 Y HN 0.660 nan 8.280 nan 0.000 0.466 149 N N 0.017 118.832 118.700 0.191 0.000 2.366 149 N HA 0.041 4.781 4.740 -0.000 0.000 0.277 149 N C -0.094 175.482 175.510 0.110 0.000 1.275 149 N CA -0.556 52.564 53.050 0.116 0.000 0.964 149 N CB 0.162 38.701 38.487 0.087 0.000 1.167 149 N HN 0.620 nan 8.380 nan 0.000 0.568 150 N N -0.960 117.783 118.700 0.072 0.000 2.551 150 N HA 0.040 4.780 4.740 -0.000 0.000 0.199 150 N C 0.449 175.988 175.510 0.048 0.000 1.277 150 N CA 0.361 53.443 53.050 0.053 0.000 0.870 150 N CB -0.145 38.365 38.487 0.038 0.000 1.028 150 N HN 0.518 nan 8.380 nan 0.000 0.452 151 L N -1.616 119.644 121.223 0.062 0.000 2.817 151 L HA 0.354 4.694 4.340 -0.000 0.000 0.248 151 L C 0.960 177.861 176.870 0.052 0.000 1.133 151 L CA 0.206 55.076 54.840 0.051 0.000 0.935 151 L CB 0.321 42.412 42.059 0.053 0.000 1.266 151 L HN 0.335 nan 8.230 nan 0.000 0.535 152 G N 1.158 110.002 108.800 0.073 0.000 2.141 152 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.231 152 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.231 152 G C 0.022 175.013 174.900 0.152 0.000 0.984 152 G CA -0.272 44.850 45.100 0.036 0.000 0.660 152 G HN 0.171 nan 8.290 nan 0.000 0.525 153 L N 0.856 122.209 121.223 0.215 0.000 2.292 153 L HA 0.519 4.858 4.340 -0.000 0.000 0.284 153 L C 0.827 177.892 176.870 0.324 0.000 1.065 153 L CA -0.783 54.202 54.840 0.242 0.000 0.806 153 L CB 1.414 43.555 42.059 0.137 0.000 1.175 153 L HN 0.362 nan 8.230 nan 0.000 0.431 154 E N 4.521 124.897 120.200 0.293 0.000 2.376 154 E HA 0.300 4.650 4.350 -0.000 0.000 0.266 154 E C -0.687 175.885 176.600 -0.047 0.000 1.009 154 E CA -0.304 56.062 56.400 -0.056 0.000 0.902 154 E CB 0.755 30.400 29.700 -0.092 0.000 0.972 154 E HN 0.502 nan 8.360 nan 0.000 0.439 155 I N 0.265 120.761 120.570 -0.123 0.000 3.067 155 I HA 0.464 4.633 4.170 -0.000 0.000 0.312 155 I C -0.252 175.840 176.117 -0.043 0.000 1.073 155 I CA -1.213 60.064 61.300 -0.039 0.000 1.016 155 I CB 1.803 39.797 38.000 -0.009 0.000 1.227 155 I HN 0.271 nan 8.210 nan 0.000 0.456 156 T N 4.121 118.677 114.554 0.005 0.000 2.905 156 T HA 0.175 4.525 4.350 -0.000 0.000 0.299 156 T C -2.188 172.538 174.700 0.043 0.000 1.024 156 T CA -0.132 61.988 62.100 0.033 0.000 1.151 156 T CB -0.240 68.644 68.868 0.027 0.000 0.987 156 T HN 0.522 nan 8.240 nan 0.000 0.535 157 P HA 0.240 nan 4.420 nan 0.000 0.286 157 P C -0.743 176.701 177.300 0.240 0.000 1.292 157 P CA -1.223 61.975 63.100 0.164 0.000 0.842 157 P CB 0.791 32.611 31.700 0.200 0.000 1.207 158 W N 1.420 122.778 121.300 0.096 0.000 2.347 158 W HA 0.142 4.802 4.660 -0.000 0.000 0.333 158 W C -0.848 175.708 176.519 0.062 0.000 1.383 158 W CA 1.355 58.727 57.345 0.046 0.000 1.283 158 W CB -0.083 29.400 29.460 0.038 0.000 1.253 158 W HN 0.168 nan 8.180 nan 0.000 0.563 159 T N 8.615 122.784 114.554 -0.641 0.000 2.861 159 T HA 0.318 4.668 4.350 -0.000 0.000 0.287 159 T C -2.512 171.359 174.700 -1.381 0.000 1.003 159 T CA -1.439 60.110 62.100 -0.917 0.000 0.977 159 T CB 1.672 70.170 68.868 -0.616 0.000 0.996 159 T HN 0.120 nan 8.240 nan 0.000 0.448 160 P HA 0.155 nan 4.420 nan 0.000 0.267 160 P C 0.376 177.276 177.300 -0.666 0.000 1.200 160 P CA -0.010 62.524 63.100 -0.944 0.000 0.772 160 P CB 0.452 31.807 31.700 -0.576 0.000 0.855 161 H N 0.032 118.846 119.070 -0.426 0.000 2.462 161 H HA -0.080 4.476 4.556 -0.000 0.000 0.292 161 H C 1.691 176.891 175.328 -0.212 0.000 1.049 161 H CA 1.310 57.178 56.048 -0.300 0.000 1.334 161 H CB 0.080 29.716 29.762 -0.209 0.000 1.404 161 H HN 0.433 nan 8.280 nan 0.000 0.544 162 S N 0.394 116.067 115.700 -0.045 0.000 2.603 162 S HA 0.133 4.603 4.470 -0.000 0.000 0.220 162 S C 2.196 176.735 174.600 -0.101 0.000 0.967 162 S CA 0.224 58.407 58.200 -0.029 0.000 0.920 162 S CB 0.126 63.357 63.200 0.052 0.000 0.773 162 S HN 0.442 nan 8.310 nan 0.000 0.529 163 A N 3.263 125.942 122.820 -0.234 0.000 1.971 163 A HA -0.249 4.070 4.320 -0.000 0.000 0.222 163 A C 1.829 179.301 177.584 -0.187 0.000 1.182 163 A CA 2.085 53.933 52.037 -0.314 0.000 0.649 163 A CB -1.150 17.485 19.000 -0.608 0.000 0.818 163 A HN 0.737 nan 8.150 nan 0.000 0.458 164 N N -0.032 118.585 118.700 -0.137 0.000 2.461 164 N HA 0.047 4.786 4.740 -0.000 0.000 0.188 164 N C -0.686 174.808 175.510 -0.028 0.000 1.134 164 N CA 0.238 53.246 53.050 -0.070 0.000 0.878 164 N CB -0.025 38.425 38.487 -0.063 0.000 0.972 164 N HN 0.637 nan 8.380 nan 0.000 0.456 165 N N 1.288 119.971 118.700 -0.030 0.000 2.417 165 N HA 0.285 5.024 4.740 -0.000 0.000 0.274 165 N C -0.623 174.883 175.510 -0.006 0.000 0.987 165 N CA -0.749 52.293 53.050 -0.014 0.000 0.912 165 N CB 0.876 39.353 38.487 -0.018 0.000 1.177 165 N HN 0.009 nan 8.380 nan 0.000 0.490 166 N N 0.425 119.119 118.700 -0.010 0.000 2.615 166 N HA -0.265 4.475 4.740 -0.000 0.000 0.167 166 N C -0.669 174.812 175.510 -0.047 0.000 0.858 166 N CA 0.668 53.695 53.050 -0.037 0.000 0.890 166 N CB -0.357 38.109 38.487 -0.035 0.000 0.837 166 N HN 0.388 nan 8.380 nan 0.000 0.671 167 I N 1.383 121.895 120.570 -0.096 0.000 2.312 167 I HA 0.430 4.600 4.170 -0.000 0.000 0.291 167 I C 0.427 176.539 176.117 -0.008 0.000 1.031 167 I CA -0.022 61.206 61.300 -0.120 0.000 1.293 167 I CB 0.508 38.385 38.000 -0.205 0.000 1.403 167 I HN 0.327 nan 8.210 nan 0.000 0.484 168 I N 6.122 126.698 120.570 0.011 0.000 2.769 168 I HA 0.457 4.626 4.170 -0.000 0.000 0.298 168 I C -1.444 174.733 176.117 0.100 0.000 1.128 168 I CA -0.607 60.791 61.300 0.164 0.000 1.031 168 I CB 2.214 40.361 38.000 0.245 0.000 1.235 168 I HN 0.337 nan 8.210 nan 0.000 0.423 169 Y N 4.608 125.108 120.300 0.334 0.000 2.468 169 Y HA 0.536 5.086 4.550 -0.000 0.000 0.342 169 Y C -0.108 175.853 175.900 0.100 0.000 1.021 169 Y CA -0.673 57.517 58.100 0.150 0.000 1.079 169 Y CB 1.632 39.984 38.460 -0.180 0.000 1.226 169 Y HN 0.372 nan 8.280 nan 0.000 0.460 170 R N 3.031 123.545 120.500 0.024 0.000 2.396 170 R HA 0.337 4.677 4.340 -0.000 0.000 0.292 170 R C -1.717 174.371 176.300 -0.355 0.000 1.240 170 R CA -0.475 55.400 56.100 -0.375 0.000 1.270 170 R CB 0.011 30.020 30.300 -0.484 0.000 1.108 170 R HN 0.689 nan 8.270 nan 0.000 0.573 171 Y N 1.266 121.495 120.300 -0.118 0.000 2.346 171 Y HA 0.056 4.605 4.550 -0.000 0.000 0.330 171 Y C 0.674 176.503 175.900 -0.117 0.000 1.178 171 Y CA 0.116 58.205 58.100 -0.018 0.000 1.331 171 Y CB 0.805 39.392 38.460 0.212 0.000 1.253 171 Y HN 0.444 nan 8.280 nan 0.000 0.529 172 E N 3.805 124.042 120.200 0.061 0.000 2.151 172 E HA 0.548 4.898 4.350 -0.000 0.000 0.275 172 E C -1.565 175.017 176.600 -0.029 0.000 0.936 172 E CA -0.456 55.896 56.400 -0.079 0.000 0.777 172 E CB 0.676 30.316 29.700 -0.101 0.000 1.108 172 E HN 0.598 nan 8.360 nan 0.000 0.401 173 I N 4.004 124.475 120.570 -0.164 0.000 2.608 173 I HA 0.400 4.569 4.170 -0.000 0.000 0.295 173 I C -1.166 174.762 176.117 -0.314 0.000 1.049 173 I CA -0.725 60.536 61.300 -0.066 0.000 1.063 173 I CB 1.610 39.602 38.000 -0.013 0.000 1.248 173 I HN 0.486 nan 8.210 nan 0.000 0.424 174 F N 4.426 124.542 119.950 0.277 0.000 2.659 174 F HA 0.765 5.292 4.527 -0.000 0.000 0.342 174 F C 0.044 176.031 175.800 0.312 0.000 1.168 174 F CA -0.382 57.803 58.000 0.309 0.000 1.003 174 F CB 1.759 41.011 39.000 0.420 0.000 1.267 174 F HN 0.463 nan 8.300 nan 0.000 0.463 175 A N 3.982 126.945 122.820 0.238 0.000 2.566 175 A HA 0.957 5.277 4.320 -0.000 0.000 0.292 175 A C -3.045 174.530 177.584 -0.015 0.000 1.112 175 A CA -1.800 50.159 52.037 -0.130 0.000 0.707 175 A CB 2.168 20.806 19.000 -0.604 0.000 1.302 175 A HN 0.266 nan 8.150 nan 0.000 0.409 176 P HA 0.482 nan 4.420 nan 0.000 0.284 176 P C 0.736 178.111 177.300 0.125 0.000 1.253 176 P CA 1.421 64.523 63.100 0.004 0.000 0.800 176 P CB 1.208 32.887 31.700 -0.036 0.000 0.961 177 G N 1.624 110.505 108.800 0.135 0.000 2.539 177 G HA2 0.256 4.216 3.960 -0.000 0.000 0.256 177 G HA3 0.256 4.216 3.960 -0.000 0.000 0.256 177 G C 0.026 174.936 174.900 0.018 0.000 1.233 177 G CA 0.442 45.623 45.100 0.135 0.000 0.936 177 G HN 1.286 nan 8.290 nan 0.000 0.571 178 G N -2.130 106.571 108.800 -0.165 0.000 2.697 178 G HA2 0.365 4.325 3.960 -0.000 0.000 0.686 178 G HA3 0.365 4.325 3.960 -0.000 0.000 0.686 178 G C -0.503 174.225 174.900 -0.286 0.000 1.179 178 G CA 0.009 44.657 45.100 -0.753 0.000 0.765 178 G HN 1.573 nan 8.290 nan 0.000 0.649 179 I N 1.248 121.671 120.570 -0.245 0.000 2.395 179 I HA 0.236 4.406 4.170 -0.000 0.000 0.289 179 I C 0.229 176.286 176.117 -0.099 0.000 1.023 179 I CA -0.442 60.805 61.300 -0.089 0.000 1.350 179 I CB 1.492 39.477 38.000 -0.024 0.000 1.409 179 I HN 0.479 nan 8.210 nan 0.000 0.507 180 D N 7.279 127.648 120.400 -0.052 0.000 2.453 180 D HA 0.100 4.740 4.640 -0.000 0.000 0.223 180 D C 1.154 177.445 176.300 -0.015 0.000 1.183 180 D CA -0.170 53.808 54.000 -0.036 0.000 0.933 180 D CB 0.690 41.474 40.800 -0.026 0.000 1.038 180 D HN 0.301 nan 8.370 nan 0.000 0.513 181 I N 3.540 124.120 120.570 0.015 0.000 2.208 181 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 181 I C 2.097 178.288 176.117 0.123 0.000 1.097 181 I CA 0.973 62.349 61.300 0.126 0.000 1.363 181 I CB -1.216 36.842 38.000 0.097 0.000 1.051 181 I HN 0.453 nan 8.210 nan 0.000 0.413 182 N N 1.565 120.288 118.700 0.037 0.000 2.104 182 N HA -0.167 4.573 4.740 -0.000 0.000 0.190 182 N C 1.687 177.186 175.510 -0.017 0.000 1.024 182 N CA 2.042 55.100 53.050 0.013 0.000 0.853 182 N CB -0.103 38.376 38.487 -0.013 0.000 1.008 182 N HN 0.316 nan 8.380 nan 0.000 0.424 183 A N -1.161 121.630 122.820 -0.047 0.000 2.072 183 A HA 0.132 4.452 4.320 -0.000 0.000 0.216 183 A C 2.160 179.722 177.584 -0.036 0.000 1.156 183 A CA 1.105 53.079 52.037 -0.105 0.000 0.701 183 A CB -0.258 18.640 19.000 -0.170 0.000 0.816 183 A HN 0.363 nan 8.150 nan 0.000 0.458 184 S N -0.997 114.643 115.700 -0.099 0.000 2.439 184 S HA 0.313 4.783 4.470 -0.000 0.000 0.224 184 S C 0.046 174.242 174.600 -0.674 0.000 1.029 184 S CA 0.286 58.255 58.200 -0.385 0.000 0.946 184 S CB -0.126 62.667 63.200 -0.679 0.000 0.797 184 S HN 0.443 nan 8.310 nan 0.000 0.504 185 F N 0.919 120.841 119.950 -0.046 0.000 2.611 185 F HA 0.531 5.058 4.527 -0.000 0.000 0.324 185 F C 0.281 176.009 175.800 -0.120 0.000 1.061 185 F CA -1.200 56.744 58.000 -0.093 0.000 0.954 185 F CB 1.037 39.961 39.000 -0.128 0.000 1.301 185 F HN -0.272 nan 8.300 nan 0.000 0.482 186 S N 0.568 116.297 115.700 0.048 0.000 2.586 186 S HA 0.332 4.802 4.470 -0.000 0.000 0.274 186 S C 1.063 175.558 174.600 -0.175 0.000 1.281 186 S CA -0.857 57.274 58.200 -0.116 0.000 1.035 186 S CB 1.428 64.495 63.200 -0.222 0.000 0.962 186 S HN 0.583 nan 8.310 nan 0.000 0.512 187 R N 1.638 122.029 120.500 -0.180 0.000 2.081 187 R HA -0.074 4.266 4.340 -0.000 0.000 0.235 187 R C 1.017 177.227 176.300 -0.151 0.000 1.131 187 R CA 1.233 57.247 56.100 -0.143 0.000 0.960 187 R CB -0.198 30.049 30.300 -0.088 0.000 0.856 187 R HN 0.453 nan 8.270 nan 0.000 0.436 188 N N -0.574 117.989 118.700 -0.228 0.000 2.220 188 N HA 0.040 4.779 4.740 -0.000 0.000 0.195 188 N C -0.460 174.943 175.510 -0.178 0.000 1.123 188 N CA 0.129 53.132 53.050 -0.078 0.000 0.874 188 N CB 0.491 38.972 38.487 -0.009 0.000 0.995 188 N HN 0.260 nan 8.380 nan 0.000 0.498 189 H N -0.053 118.724 119.070 -0.487 0.000 2.508 189 H HA 0.167 4.722 4.556 -0.000 0.000 0.358 189 H C 0.596 175.323 175.328 -1.002 0.000 1.212 189 H CA -0.856 54.774 56.048 -0.696 0.000 1.356 189 H CB 0.788 29.890 29.762 -1.100 0.000 1.525 189 H HN 0.217 nan 8.280 nan 0.000 0.578 190 N N 2.156 120.458 118.700 -0.664 0.000 2.408 190 N HA 0.031 4.770 4.740 -0.000 0.000 0.260 190 N C -2.292 172.922 175.510 -0.494 0.000 1.242 190 N CA -1.567 50.986 53.050 -0.828 0.000 0.959 190 N CB 0.876 39.239 38.487 -0.208 0.000 1.201 190 N HN 0.341 nan 8.380 nan 0.000 0.511 191 P HA 0.184 nan 4.420 nan 0.000 0.249 191 P C -0.747 176.505 177.300 -0.081 0.000 1.544 191 P CA -0.335 62.609 63.100 -0.259 0.000 0.932 191 P CB -0.909 30.635 31.700 -0.260 0.000 1.524 192 F N -0.873 118.975 119.950 -0.170 0.000 2.688 192 F HA -0.175 4.351 4.527 -0.000 0.000 0.276 192 F C -1.652 174.034 175.800 -0.190 0.000 1.034 192 F CA -0.550 57.363 58.000 -0.145 0.000 0.991 192 F CB -2.227 36.708 39.000 -0.108 0.000 1.119 192 F HN 0.200 nan 8.300 nan 0.000 0.837 193 P HA 0.200 nan 4.420 nan 0.000 0.287 193 P C -0.446 176.770 177.300 -0.139 0.000 1.296 193 P CA -0.606 62.390 63.100 -0.173 0.000 0.811 193 P CB 0.879 32.431 31.700 -0.247 0.000 1.211 194 N N 0.985 119.554 118.700 -0.218 0.000 2.405 194 N HA -0.025 4.715 4.740 -0.000 0.000 0.260 194 N C 1.139 176.563 175.510 -0.143 0.000 1.152 194 N CA 0.308 53.203 53.050 -0.257 0.000 0.948 194 N CB 0.153 38.268 38.487 -0.620 0.000 1.111 194 N HN 0.132 nan 8.380 nan 0.000 0.485 195 Q N 1.949 121.715 119.800 -0.057 0.000 2.197 195 Q HA -0.166 4.174 4.340 -0.000 0.000 0.207 195 Q C 0.102 176.086 176.000 -0.028 0.000 0.984 195 Q CA 1.411 57.199 55.803 -0.025 0.000 0.869 195 Q CB -0.027 28.710 28.738 -0.002 0.000 0.906 195 Q HN 0.672 nan 8.270 nan 0.000 0.426 196 D N 0.637 121.016 120.400 -0.036 0.000 2.336 196 D HA -0.004 4.636 4.640 -0.000 0.000 0.229 196 D C 0.096 176.357 176.300 -0.065 0.000 1.061 196 D CA 0.149 54.135 54.000 -0.023 0.000 0.875 196 D CB 0.014 40.830 40.800 0.028 0.000 0.904 196 D HN 0.280 nan 8.370 nan 0.000 0.525 197 E N 0.508 120.643 120.200 -0.108 0.000 2.343 197 E HA 0.214 4.563 4.350 -0.000 0.000 0.269 197 E C -0.665 175.897 176.600 -0.063 0.000 1.047 197 E CA -0.443 55.886 56.400 -0.118 0.000 0.874 197 E CB 0.693 30.292 29.700 -0.169 0.000 1.033 197 E HN -0.140 nan 8.360 nan 0.000 0.409 198 I N 3.806 124.347 120.570 -0.049 0.000 2.439 198 I HA 0.177 4.347 4.170 -0.000 0.000 0.285 198 I C -0.477 175.565 176.117 -0.124 0.000 1.021 198 I CA -0.536 60.704 61.300 -0.099 0.000 1.091 198 I CB 1.281 39.246 38.000 -0.057 0.000 1.242 198 I HN 0.464 nan 8.210 nan 0.000 0.439 199 T N 6.525 120.968 114.554 -0.185 0.000 2.837 199 T HA 0.574 4.924 4.350 -0.000 0.000 0.285 199 T C -0.423 174.138 174.700 -0.232 0.000 0.984 199 T CA -0.180 61.871 62.100 -0.081 0.000 1.049 199 T CB 0.741 69.593 68.868 -0.028 0.000 0.947 199 T HN 0.112 nan 8.240 nan 0.000 0.472 200 F N 3.865 123.871 119.950 0.094 0.000 2.382 200 F HA 0.368 4.895 4.527 -0.000 0.000 0.361 200 F C -2.277 173.561 175.800 0.062 0.000 1.109 200 F CA -2.650 55.388 58.000 0.064 0.000 1.031 200 F CB 1.465 40.457 39.000 -0.013 0.000 1.234 200 F HN 0.289 nan 8.300 nan 0.000 0.445 201 P HA 0.222 nan 4.420 nan 0.000 0.271 201 P C 0.741 177.943 177.300 -0.162 0.000 1.226 201 P CA 0.591 63.689 63.100 -0.003 0.000 0.765 201 P CB 0.987 32.691 31.700 0.008 0.000 0.835 202 G N 2.403 111.050 108.800 -0.255 0.000 2.176 202 G HA2 0.022 3.982 3.960 -0.000 0.000 0.253 202 G HA3 0.022 3.982 3.960 -0.000 0.000 0.253 202 G C 0.583 175.370 174.900 -0.189 0.000 0.979 202 G CA 0.233 45.154 45.100 -0.299 0.000 0.641 202 G HN 0.981 nan 8.290 nan 0.000 0.530 203 G N -1.001 107.755 108.800 -0.074 0.000 2.642 203 G HA2 0.118 4.078 3.960 -0.000 0.000 0.231 203 G HA3 0.118 4.078 3.960 -0.000 0.000 0.231 203 G C -0.296 174.573 174.900 -0.051 0.000 1.338 203 G CA 0.121 45.210 45.100 -0.017 0.000 0.883 203 G HN 1.439 nan 8.290 nan 0.000 0.570 204 I N 0.212 120.758 120.570 -0.040 0.000 2.686 204 I HA 0.487 4.656 4.170 -0.000 0.000 0.295 204 I C 0.561 176.698 176.117 0.033 0.000 1.114 204 I CA -0.866 60.378 61.300 -0.093 0.000 1.038 204 I CB 2.178 40.082 38.000 -0.160 0.000 1.238 204 I HN 0.572 nan 8.210 nan 0.000 0.420 205 R N 4.819 125.429 120.500 0.182 0.000 2.490 205 R HA 0.266 4.606 4.340 -0.000 0.000 0.278 205 R C -1.696 174.659 176.300 0.093 0.000 1.069 205 R CA -1.477 54.710 56.100 0.145 0.000 1.080 205 R CB 0.417 30.825 30.300 0.179 0.000 1.030 205 R HN 0.301 nan 8.270 nan 0.000 0.491 206 P HA -0.257 nan 4.420 nan 0.000 0.216 206 P C 0.633 177.865 177.300 -0.112 0.000 1.150 206 P CA 1.433 64.459 63.100 -0.124 0.000 0.843 206 P CB -0.006 31.608 31.700 -0.144 0.000 0.787 207 E N -1.117 118.950 120.200 -0.222 0.000 2.396 207 E HA -0.172 4.178 4.350 -0.000 0.000 0.200 207 E C 0.739 177.078 176.600 -0.435 0.000 1.023 207 E CA 0.893 57.060 56.400 -0.387 0.000 0.857 207 E CB -1.000 28.340 29.700 -0.600 0.000 0.775 207 E HN 0.264 nan 8.360 nan 0.000 0.525 208 F N 0.819 120.803 119.950 0.057 0.000 2.695 208 F HA 0.343 4.869 4.527 -0.000 0.000 0.303 208 F C 0.687 176.713 175.800 0.377 0.000 1.091 208 F CA -0.337 57.784 58.000 0.201 0.000 1.300 208 F CB 0.475 39.509 39.000 0.057 0.000 1.071 208 F HN -0.110 nan 8.300 nan 0.000 0.578 209 I N 0.725 121.515 120.570 0.366 0.000 2.291 209 I HA 0.229 4.399 4.170 -0.000 0.000 0.290 209 I C 1.426 177.579 176.117 0.060 0.000 1.050 209 I CA -0.211 61.229 61.300 0.234 0.000 1.245 209 I CB 1.297 39.397 38.000 0.166 0.000 1.405 209 I HN 0.029 nan 8.210 nan 0.000 0.478 210 R N 4.124 124.509 120.500 -0.192 0.000 2.062 210 R HA -0.025 4.315 4.340 -0.000 0.000 0.229 210 R C 0.653 176.768 176.300 -0.309 0.000 1.128 210 R CA 1.350 57.031 56.100 -0.700 0.000 0.960 210 R CB 0.342 29.983 30.300 -1.098 0.000 0.855 210 R HN 0.812 nan 8.270 nan 0.000 0.432 211 S N -2.525 113.161 115.700 -0.024 0.000 2.727 211 S HA 0.456 4.926 4.470 -0.000 0.000 0.278 211 S C -0.840 173.919 174.600 0.265 0.000 1.186 211 S CA -0.675 57.641 58.200 0.193 0.000 0.836 211 S CB 2.091 65.359 63.200 0.112 0.000 1.186 211 S HN 0.046 nan 8.310 nan 0.000 0.499 212 T N 0.339 115.032 114.554 0.232 0.000 2.957 212 T HA 0.532 4.882 4.350 -0.000 0.000 0.336 212 T C -2.362 172.475 174.700 0.228 0.000 1.462 212 T CA -0.450 61.617 62.100 -0.055 0.000 1.073 212 T CB 0.805 69.254 68.868 -0.699 0.000 1.319 212 T HN 0.521 nan 8.240 nan 0.000 0.485 213 Y N 2.291 122.552 120.300 -0.066 0.000 2.320 213 Y HA 0.477 5.027 4.550 -0.000 0.000 0.334 213 Y C 0.654 176.477 175.900 -0.128 0.000 1.055 213 Y CA -1.627 56.392 58.100 -0.136 0.000 1.143 213 Y CB 1.229 39.515 38.460 -0.291 0.000 1.193 213 Y HN 0.659 nan 8.280 nan 0.000 0.477 214 E N 3.729 123.940 120.200 0.019 0.000 2.081 214 E HA 0.284 4.634 4.350 -0.000 0.000 0.281 214 E C -1.713 174.758 176.600 -0.215 0.000 0.986 214 E CA -0.346 55.984 56.400 -0.117 0.000 0.796 214 E CB 0.456 30.268 29.700 0.186 0.000 1.085 214 E HN 0.516 nan 8.360 nan 0.000 0.398 215 Y N 2.464 122.738 120.300 -0.044 0.000 2.361 215 Y HA 0.301 4.851 4.550 -0.000 0.000 0.332 215 Y C -0.021 176.024 175.900 0.242 0.000 1.101 215 Y CA -0.471 57.684 58.100 0.090 0.000 1.137 215 Y CB 1.539 40.075 38.460 0.126 0.000 1.207 215 Y HN 0.497 nan 8.280 nan 0.000 0.463 216 H N 2.488 121.633 119.070 0.125 0.000 2.970 216 H HA 0.208 4.764 4.556 -0.000 0.000 0.315 216 H C -0.623 174.753 175.328 0.080 0.000 0.992 216 H CA -1.056 55.032 56.048 0.066 0.000 1.363 216 H CB 0.763 30.544 29.762 0.033 0.000 1.532 216 H HN 0.806 nan 8.280 nan 0.000 0.514 217 N N 2.186 120.971 118.700 0.141 0.000 2.738 217 N HA -0.229 4.511 4.740 -0.000 0.000 0.249 217 N C 1.063 176.632 175.510 0.099 0.000 1.047 217 N CA 0.754 53.856 53.050 0.087 0.000 0.707 217 N CB -0.700 37.827 38.487 0.067 0.000 0.937 217 N HN 1.099 nan 8.380 nan 0.000 0.545 218 G N -1.105 107.771 108.800 0.127 0.000 2.162 218 G HA2 -0.340 3.619 3.960 -0.000 0.000 0.260 218 G HA3 -0.340 3.619 3.960 -0.000 0.000 0.260 218 G C -0.218 174.837 174.900 0.258 0.000 0.976 218 G CA 0.609 45.778 45.100 0.114 0.000 0.655 218 G HN 0.556 nan 8.290 nan 0.000 0.533 219 E N -0.297 120.083 120.200 0.299 0.000 2.176 219 E HA 0.546 4.896 4.350 -0.000 0.000 0.267 219 E C 0.544 177.223 176.600 0.131 0.000 0.893 219 E CA -0.955 55.576 56.400 0.219 0.000 0.761 219 E CB 1.432 31.193 29.700 0.101 0.000 1.133 219 E HN 0.336 nan 8.360 nan 0.000 0.409 220 I N 3.237 123.780 120.570 -0.045 0.000 2.683 220 I HA -0.104 4.066 4.170 -0.000 0.000 0.286 220 I C 0.810 176.758 176.117 -0.282 0.000 1.175 220 I CA 0.305 61.363 61.300 -0.403 0.000 1.429 220 I CB 0.558 38.264 38.000 -0.489 0.000 1.371 220 I HN 0.483 nan 8.210 nan 0.000 0.569 221 V N 5.768 125.481 119.914 -0.334 0.000 3.359 221 V HA 0.223 4.343 4.120 -0.000 0.000 0.245 221 V C 0.543 176.461 176.094 -0.292 0.000 1.247 221 V CA 0.409 62.514 62.300 -0.325 0.000 1.145 221 V CB 0.368 31.861 31.823 -0.551 0.000 0.906 221 V HN 0.791 nan 8.190 nan 0.000 0.464 222 R N -0.622 119.705 120.500 -0.289 0.000 2.692 222 R HA 0.559 4.899 4.340 -0.000 0.000 0.269 222 R C -2.145 173.983 176.300 -0.287 0.000 1.030 222 R CA -0.610 55.297 56.100 -0.322 0.000 0.882 222 R CB 2.081 32.142 30.300 -0.400 0.000 1.250 222 R HN 0.131 nan 8.270 nan 0.000 0.465 223 I N 2.571 122.949 120.570 -0.320 0.000 2.439 223 I HA 0.328 4.498 4.170 -0.000 0.000 0.283 223 I C -1.113 174.946 176.117 -0.097 0.000 1.023 223 I CA -0.573 60.661 61.300 -0.109 0.000 1.100 223 I CB 1.319 39.258 38.000 -0.102 0.000 1.238 223 I HN 0.492 nan 8.210 nan 0.000 0.445 224 W N 6.980 128.352 121.300 0.119 0.000 2.381 224 W HA 0.551 5.210 4.660 -0.000 0.000 0.329 224 W C -0.188 176.453 176.519 0.204 0.000 1.157 224 W CA -0.412 57.044 57.345 0.184 0.000 1.240 224 W CB 1.014 30.583 29.460 0.181 0.000 1.199 224 W HN 0.094 nan 8.180 nan 0.000 0.579 225 I N 3.025 123.786 120.570 0.317 0.000 2.509 225 I HA 0.132 4.302 4.170 -0.000 0.000 0.293 225 I C -0.506 175.402 176.117 -0.348 0.000 1.020 225 I CA -1.050 60.172 61.300 -0.129 0.000 1.088 225 I CB 1.626 39.332 38.000 -0.490 0.000 1.267 225 I HN 0.373 nan 8.210 nan 0.000 0.430 226 N N 8.699 127.052 118.700 -0.577 0.000 2.500 226 N HA 0.274 5.014 4.740 -0.000 0.000 0.236 226 N C -1.607 173.711 175.510 -0.320 0.000 1.022 226 N CA -2.206 50.426 53.050 -0.697 0.000 0.935 226 N CB 1.256 39.087 38.487 -1.093 0.000 1.147 226 N HN 0.274 nan 8.380 nan 0.000 0.512 227 P HA -0.130 nan 4.420 nan 0.000 0.218 227 P C 0.057 177.390 177.300 0.055 0.000 1.148 227 P CA 1.207 64.302 63.100 -0.008 0.000 0.822 227 P CB 0.342 32.147 31.700 0.175 0.000 0.784 228 N N -0.819 117.900 118.700 0.031 0.000 2.449 228 N HA -0.021 4.719 4.740 -0.000 0.000 0.191 228 N C 0.434 175.922 175.510 -0.037 0.000 1.161 228 N CA -0.101 52.954 53.050 0.008 0.000 0.863 228 N CB -0.581 37.922 38.487 0.027 0.000 0.980 228 N HN 0.167 nan 8.380 nan 0.000 0.458 229 F N 1.768 121.616 119.950 -0.171 0.000 2.602 229 F HA -0.075 4.452 4.527 -0.000 0.000 0.367 229 F C 1.754 177.467 175.800 -0.146 0.000 1.126 229 F CA -0.652 57.245 58.000 -0.172 0.000 1.321 229 F CB 0.579 39.496 39.000 -0.137 0.000 1.094 229 F HN -0.132 nan 8.300 nan 0.000 0.594 230 I N 3.399 123.329 120.570 -1.067 0.000 2.181 230 I HA -0.325 3.845 4.170 -0.000 0.000 0.247 230 I C 0.808 176.551 176.117 -0.624 0.000 1.081 230 I CA 1.758 62.543 61.300 -0.857 0.000 1.340 230 I CB -0.607 36.849 38.000 -0.905 0.000 1.036 230 I HN 0.663 nan 8.210 nan 0.000 0.417 231 N N -0.294 117.954 118.700 -0.755 0.000 2.841 231 N HA 0.269 5.009 4.740 -0.000 0.000 0.257 231 N C -2.074 173.471 175.510 0.059 0.000 1.396 231 N CA -2.215 50.694 53.050 -0.234 0.000 0.823 231 N CB 0.769 39.160 38.487 -0.160 0.000 1.162 231 N HN -0.001 nan 8.380 nan 0.000 0.503 232 P HA -0.154 nan 4.420 nan 0.000 0.220 232 P C 1.363 178.741 177.300 0.129 0.000 1.144 232 P CA 0.942 64.129 63.100 0.145 0.000 0.800 232 P CB 0.225 31.981 31.700 0.092 0.000 0.772 233 S N -0.326 115.421 115.700 0.079 0.000 2.419 233 S HA -0.166 4.304 4.470 -0.000 0.000 0.235 233 S C 1.835 176.479 174.600 0.073 0.000 1.019 233 S CA 2.053 60.290 58.200 0.062 0.000 0.982 233 S CB -1.751 61.467 63.200 0.031 0.000 0.789 233 S HN 0.371 nan 8.310 nan 0.000 0.490 234 T N -0.877 113.735 114.554 0.097 0.000 3.086 234 T HA 0.327 4.676 4.350 -0.000 0.000 0.250 234 T C 1.622 176.368 174.700 0.075 0.000 1.074 234 T CA -0.023 62.121 62.100 0.073 0.000 0.988 234 T CB -0.472 68.422 68.868 0.043 0.000 0.988 234 T HN 0.387 nan 8.240 nan 0.000 0.530 235 L N 1.033 122.329 121.223 0.121 0.000 2.263 235 L HA -0.111 4.229 4.340 -0.000 0.000 0.216 235 L C 2.668 179.612 176.870 0.124 0.000 1.111 235 L CA 1.206 56.112 54.840 0.111 0.000 0.773 235 L CB -0.742 41.438 42.059 0.201 0.000 0.906 235 L HN 0.361 nan 8.230 nan 0.000 0.439 236 N N 0.496 119.262 118.700 0.110 0.000 2.106 236 N HA -0.176 4.564 4.740 -0.000 0.000 0.188 236 N C 1.228 176.784 175.510 0.076 0.000 1.029 236 N CA 1.324 54.430 53.050 0.094 0.000 0.848 236 N CB -0.062 38.467 38.487 0.070 0.000 1.007 236 N HN 0.243 nan 8.380 nan 0.000 0.423 237 D N -0.095 120.340 120.400 0.060 0.000 2.403 237 D HA -0.060 4.580 4.640 -0.000 0.000 0.227 237 D C -0.084 176.264 176.300 0.079 0.000 0.995 237 D CA 0.169 54.204 54.000 0.058 0.000 0.928 237 D CB -0.254 40.569 40.800 0.038 0.000 0.887 237 D HN 0.051 nan 8.370 nan 0.000 0.529 238 V N 2.583 122.548 119.914 0.084 0.000 2.416 238 V HA -0.060 4.060 4.120 -0.000 0.000 0.267 238 V C 1.052 177.223 176.094 0.129 0.000 1.007 238 V CA -0.110 62.255 62.300 0.110 0.000 1.102 238 V CB -0.571 31.315 31.823 0.104 0.000 1.035 238 V HN 0.179 nan 8.190 nan 0.000 0.473 239 S N 4.154 119.946 115.700 0.153 0.000 2.596 239 S HA 0.740 5.210 4.470 -0.000 0.000 0.260 239 S C 0.356 175.059 174.600 0.172 0.000 1.336 239 S CA 0.043 58.334 58.200 0.151 0.000 0.993 239 S CB 1.540 64.844 63.200 0.175 0.000 0.923 239 S HN 1.517 nan 8.310 nan 0.000 0.567 240 G N -0.228 108.632 108.800 0.099 0.000 2.347 240 G HA2 0.446 4.406 3.960 -0.000 0.000 0.303 240 G HA3 0.446 4.406 3.960 -0.000 0.000 0.303 240 G C -3.488 171.372 174.900 -0.067 0.000 1.481 240 G CA -1.105 43.980 45.100 -0.025 0.000 0.914 240 G HN 0.669 nan 8.290 nan 0.000 0.638 241 P HA 0.377 nan 4.420 nan 0.000 0.269 241 P C 0.331 177.579 177.300 -0.088 0.000 1.215 241 P CA -0.157 62.883 63.100 -0.100 0.000 0.780 241 P CB 0.693 32.309 31.700 -0.139 0.000 0.898 242 S N 1.283 116.950 115.700 -0.055 0.000 2.601 242 S HA 0.231 4.701 4.470 -0.000 0.000 0.271 242 S C 0.446 175.012 174.600 -0.057 0.000 1.305 242 S CA -0.700 57.473 58.200 -0.046 0.000 1.022 242 S CB 0.237 63.422 63.200 -0.026 0.000 0.940 242 S HN 0.559 nan 8.310 nan 0.000 0.525 243 N N -0.318 118.349 118.700 -0.055 0.000 2.818 243 N HA -0.135 4.605 4.740 -0.000 0.000 0.250 243 N C -1.124 174.337 175.510 -0.082 0.000 1.108 243 N CA 0.783 53.798 53.050 -0.058 0.000 0.745 243 N CB -1.220 37.240 38.487 -0.046 0.000 1.104 243 N HN 0.732 nan 8.380 nan 0.000 0.557 244 I N 1.145 121.652 120.570 -0.104 0.000 2.439 244 I HA 0.119 4.289 4.170 -0.000 0.000 0.283 244 I C 0.427 176.455 176.117 -0.149 0.000 1.023 244 I CA -0.757 60.456 61.300 -0.145 0.000 1.100 244 I CB 1.745 39.627 38.000 -0.197 0.000 1.238 244 I HN 0.018 nan 8.210 nan 0.000 0.445 245 S N 4.514 120.124 115.700 -0.149 0.000 2.885 245 S HA -0.098 4.372 4.470 -0.000 0.000 0.334 245 S C 0.096 174.585 174.600 -0.184 0.000 1.224 245 S CA -0.163 57.946 58.200 -0.152 0.000 1.080 245 S CB 0.144 63.245 63.200 -0.165 0.000 0.801 245 S HN 0.669 nan 8.310 nan 0.000 0.510 246 K N 3.826 124.158 120.400 -0.113 0.000 2.265 246 K HA 0.334 4.654 4.320 -0.000 0.000 0.242 246 K C -0.591 176.002 176.600 -0.013 0.000 1.137 246 K CA -0.490 55.757 56.287 -0.066 0.000 1.082 246 K CB 0.056 32.562 32.500 0.011 0.000 1.731 246 K HN 0.617 nan 8.250 nan 0.000 0.392 247 V N 3.123 122.937 119.914 -0.168 0.000 2.924 247 V HA 0.143 4.263 4.120 -0.000 0.000 0.305 247 V C 0.099 176.322 176.094 0.215 0.000 1.073 247 V CA -0.235 62.006 62.300 -0.099 0.000 1.098 247 V CB 0.420 31.913 31.823 -0.551 0.000 1.000 247 V HN 0.395 nan 8.190 nan 0.000 0.484 248 F N 2.391 122.428 119.950 0.145 0.000 2.388 248 F HA 0.372 4.898 4.527 -0.000 0.000 0.358 248 F C -0.009 176.096 175.800 0.509 0.000 1.122 248 F CA -1.092 57.089 58.000 0.302 0.000 1.056 248 F CB 0.938 40.071 39.000 0.222 0.000 1.155 248 F HN 0.636 nan 8.300 nan 0.000 0.461 249 W N 6.545 128.110 121.300 0.441 0.000 2.158 249 W HA 0.345 5.005 4.660 -0.000 0.000 0.339 249 W C -0.643 176.121 176.519 0.408 0.000 1.294 249 W CA 0.343 57.996 57.345 0.513 0.000 1.231 249 W CB 0.256 30.060 29.460 0.574 0.000 1.143 249 W HN 0.642 nan 8.180 nan 0.000 0.571 250 H N 1.657 120.330 119.070 -0.663 0.000 2.974 250 H HA 0.322 4.878 4.556 -0.000 0.000 0.366 250 H C -0.851 173.598 175.328 -1.465 0.000 1.155 250 H CA -1.332 54.205 56.048 -0.851 0.000 1.186 250 H CB 0.791 30.401 29.762 -0.253 0.000 1.799 250 H HN 0.552 nan 8.280 nan 0.000 0.541 251 E N 1.758 121.317 120.200 -1.069 0.000 2.565 251 E HA -0.175 4.174 4.350 -0.000 0.000 0.268 251 E C -0.024 176.463 176.600 -0.189 0.000 1.000 251 E CA 0.682 56.746 56.400 -0.560 0.000 0.964 251 E CB 0.146 29.762 29.700 -0.141 0.000 0.955 251 E HN 0.786 nan 8.360 nan 0.000 0.459 252 N N 1.720 120.410 118.700 -0.016 0.000 2.681 252 N HA -0.269 4.471 4.740 -0.000 0.000 0.250 252 N C -0.524 175.010 175.510 0.040 0.000 1.133 252 N CA 0.975 54.055 53.050 0.049 0.000 0.732 252 N CB -1.251 37.268 38.487 0.053 0.000 1.107 252 N HN 0.572 nan 8.380 nan 0.000 0.559 253 H N 1.519 120.445 119.070 -0.239 0.000 3.115 253 H HA 0.001 4.557 4.556 -0.000 0.000 0.324 253 H C 1.628 176.949 175.328 -0.013 0.000 1.007 253 H CA 1.559 57.413 56.048 -0.323 0.000 1.385 253 H CB 0.907 30.345 29.762 -0.539 0.000 1.351 253 H HN 0.307 nan 8.280 nan 0.000 0.592 254 S N 3.132 118.980 115.700 0.248 0.000 2.383 254 S HA -0.160 4.309 4.470 -0.000 0.000 0.229 254 S C 0.970 175.789 174.600 0.366 0.000 1.030 254 S CA 1.616 59.977 58.200 0.269 0.000 1.002 254 S CB 0.006 63.308 63.200 0.170 0.000 0.829 254 S HN 0.794 nan 8.310 nan 0.000 0.467 255 E N 0.342 120.906 120.200 0.607 0.000 2.499 255 E HA 0.293 4.643 4.350 -0.000 0.000 0.199 255 E C 1.019 177.846 176.600 0.379 0.000 1.016 255 E CA 0.139 56.803 56.400 0.440 0.000 0.933 255 E CB 0.464 30.425 29.700 0.435 0.000 1.050 255 E HN 0.609 nan 8.360 nan 0.000 0.462 256 G N 1.097 109.971 108.800 0.123 0.000 3.448 256 G HA2 -0.039 3.920 3.960 -0.000 0.000 0.261 256 G HA3 -0.039 3.920 3.960 -0.000 0.000 0.261 256 G C 0.616 175.413 174.900 -0.172 0.000 1.173 256 G CA -0.215 44.664 45.100 -0.367 0.000 0.835 256 G HN 0.086 nan 8.290 nan 0.000 0.534 257 N N 0.595 119.306 118.700 0.017 0.000 2.377 257 N HA 0.023 4.763 4.740 -0.000 0.000 0.259 257 N C -0.792 174.777 175.510 0.099 0.000 1.332 257 N CA -0.280 52.788 53.050 0.030 0.000 0.877 257 N CB 0.288 38.807 38.487 0.054 0.000 1.299 257 N HN 0.031 nan 8.380 nan 0.000 0.501 258 N N 2.066 120.874 118.700 0.180 0.000 2.420 258 N HA 0.211 4.950 4.740 -0.000 0.000 0.262 258 N C 0.112 175.762 175.510 0.232 0.000 1.144 258 N CA 0.297 53.475 53.050 0.214 0.000 0.952 258 N CB 0.903 39.570 38.487 0.300 0.000 1.081 258 N HN 0.430 nan 8.380 nan 0.000 0.480 259 M N -1.383 118.299 119.600 0.136 0.000 2.682 259 M HA 0.479 4.958 4.480 -0.000 0.000 0.272 259 M C -1.699 174.636 176.300 0.059 0.000 1.232 259 M CA -1.021 54.359 55.300 0.132 0.000 0.849 259 M CB 1.596 34.289 32.600 0.156 0.000 1.695 259 M HN -0.115 nan 8.290 nan 0.000 0.481 260 D N 2.968 123.397 120.400 0.048 0.000 2.506 260 D HA 0.174 4.813 4.640 -0.000 0.000 0.234 260 D C 0.492 176.804 176.300 0.021 0.000 1.143 260 D CA 0.686 54.697 54.000 0.018 0.000 0.871 260 D CB 0.978 41.788 40.800 0.016 0.000 1.190 260 D HN 0.819 nan 8.370 nan 0.000 0.459 273 D N 0.782 121.287 120.400 0.175 0.000 2.339 273 D HA 0.152 4.792 4.640 -0.000 0.000 0.217 273 D C 1.015 177.419 176.300 0.173 0.000 1.050 273 D CA -0.208 53.886 54.000 0.156 0.000 0.856 273 D CB -0.133 40.757 40.800 0.149 0.000 0.922 273 D HN 0.185 nan 8.370 nan 0.000 0.518 274 F N 1.905 121.912 119.950 0.095 0.000 2.065 274 F HA -0.207 4.319 4.527 -0.000 0.000 0.298 274 F C 1.535 177.451 175.800 0.194 0.000 1.112 274 F CA 1.502 59.577 58.000 0.124 0.000 1.212 274 F CB 0.264 39.325 39.000 0.102 0.000 0.975 274 F HN -0.118 nan 8.300 nan 0.000 0.476 275 D N -0.255 120.372 120.400 0.379 0.000 2.363 275 D HA -0.057 4.582 4.640 -0.000 0.000 0.226 275 D C 1.680 178.188 176.300 0.346 0.000 1.020 275 D CA 0.505 54.687 54.000 0.303 0.000 0.892 275 D CB 0.166 41.162 40.800 0.328 0.000 0.900 275 D HN 0.348 nan 8.370 nan 0.000 0.531 276 M N -0.205 119.535 119.600 0.232 0.000 2.333 276 M HA 0.088 4.568 4.480 -0.000 0.000 0.257 276 M C 0.079 176.334 176.300 -0.076 0.000 1.078 276 M CA -0.354 54.988 55.300 0.071 0.000 1.005 276 M CB -0.155 32.469 32.600 0.040 0.000 1.444 276 M HN -0.158 nan 8.290 nan 0.000 0.496 277 F N 1.516 121.367 119.950 -0.164 0.000 2.472 277 F HA 0.413 4.939 4.527 -0.000 0.000 0.364 277 F C 1.411 177.138 175.800 -0.122 0.000 1.090 277 F CA -0.730 57.120 58.000 -0.250 0.000 1.188 277 F CB 0.585 39.383 39.000 -0.336 0.000 1.105 277 F HN 0.237 nan 8.300 nan 0.000 0.536 278 A N 7.667 130.302 122.820 -0.309 0.000 1.906 278 A HA -0.243 4.076 4.320 -0.000 0.000 0.222 278 A C -0.601 176.868 177.584 -0.192 0.000 1.282 278 A CA 2.368 54.255 52.037 -0.250 0.000 0.675 278 A CB -2.344 16.483 19.000 -0.289 0.000 0.838 278 A HN 0.678 nan 8.150 nan 0.000 0.469 279 P HA -0.045 nan 4.420 nan 0.000 0.225 279 P C 0.305 177.419 177.300 -0.309 0.000 1.148 279 P CA 0.996 63.839 63.100 -0.429 0.000 0.779 279 P CB -0.179 31.167 31.700 -0.589 0.000 0.780 280 N N -0.500 117.991 118.700 -0.348 0.000 2.314 280 N HA 0.207 4.946 4.740 -0.000 0.000 0.200 280 N C 0.902 175.980 175.510 -0.719 0.000 1.135 280 N CA 0.407 53.243 53.050 -0.356 0.000 0.835 280 N CB 0.391 38.626 38.487 -0.420 0.000 0.989 280 N HN 0.156 nan 8.380 nan 0.000 0.478 281 G N -0.238 107.988 108.800 -0.956 0.000 2.488 281 G HA2 0.529 4.489 3.960 -0.000 0.000 0.301 281 G HA3 0.529 4.489 3.960 -0.000 0.000 0.301 281 G C -1.762 172.352 174.900 -1.309 0.000 1.339 281 G CA -0.675 43.364 45.100 -1.769 0.000 0.803 281 G HN 0.156 nan 8.290 nan 0.000 0.482 282 E N -1.763 117.520 120.200 -1.529 0.000 2.427 282 E HA 0.335 4.685 4.350 -0.000 0.000 0.279 282 E C -1.576 174.658 176.600 -0.611 0.000 1.120 282 E CA -1.037 54.903 56.400 -0.766 0.000 0.869 282 E CB 0.975 30.537 29.700 -0.229 0.000 1.393 282 E HN 0.424 nan 8.360 nan 0.000 0.443 283 I N 2.903 123.358 120.570 -0.193 0.000 2.278 283 I HA 0.144 4.314 4.170 -0.000 0.000 0.296 283 I C -1.316 174.747 176.117 -0.089 0.000 1.121 283 I CA -1.790 59.464 61.300 -0.077 0.000 1.267 283 I CB 0.628 38.653 38.000 0.041 0.000 1.447 283 I HN 0.487 nan 8.210 nan 0.000 0.509 284 P HA -0.155 nan 4.420 nan 0.000 0.216 284 P C -0.329 176.939 177.300 -0.054 0.000 1.153 284 P CA 1.579 64.622 63.100 -0.095 0.000 0.858 284 P CB 0.009 31.644 31.700 -0.109 0.000 0.789 285 N N -2.986 115.694 118.700 -0.034 0.000 3.378 285 N HA 0.148 4.888 4.740 -0.000 0.000 0.294 285 N C -0.617 174.891 175.510 -0.003 0.000 1.544 285 N CA -0.739 52.301 53.050 -0.017 0.000 0.872 285 N CB -0.522 37.955 38.487 -0.016 0.000 1.670 285 N HN -0.366 nan 8.380 nan 0.000 0.551 286 N N -1.085 117.617 118.700 0.003 0.000 2.282 286 N HA 0.248 4.988 4.740 -0.000 0.000 0.240 286 N C -1.059 174.459 175.510 0.014 0.000 1.182 286 N CA -0.328 52.729 53.050 0.010 0.000 0.874 286 N CB -0.320 38.175 38.487 0.013 0.000 1.126 286 N HN 0.418 nan 8.380 nan 0.000 0.516 287 N N 0.673 119.380 118.700 0.013 0.000 2.415 287 N HA 0.148 4.887 4.740 -0.000 0.000 0.248 287 N C 0.622 176.148 175.510 0.025 0.000 1.271 287 N CA -0.023 53.038 53.050 0.018 0.000 0.913 287 N CB 1.203 39.700 38.487 0.016 0.000 1.129 287 N HN 0.088 nan 8.380 nan 0.000 0.444 288 L N 0.743 121.986 121.223 0.032 0.000 2.475 288 L HA 0.199 4.539 4.340 -0.000 0.000 0.250 288 L C 0.499 177.398 176.870 0.047 0.000 1.224 288 L CA -0.578 54.286 54.840 0.041 0.000 0.821 288 L CB 0.125 42.212 42.059 0.048 0.000 1.141 288 L HN 0.226 nan 8.230 nan 0.000 0.494 289 L N 0.000 121.259 121.223 0.060 0.000 2.949 289 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 289 L CA 0.000 54.886 54.840 0.078 0.000 0.813 289 L CB 0.000 42.119 42.059 0.100 0.000 0.961 289 L HN 0.000 nan 8.230 nan 0.000 0.502