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 3lbd_1_A DATA FIRST_RESID 182 DATA SEQUENCE LSPQLEELIT KVSKAHQETF PSLCQLGKYT TNSSADHRVQ LDLGLWDKFS DATA SEQUENCE ELATKCIIKI VEFAKRLPGF TGLSIADQIT LLKAACLDIL MLRICTRYTP DATA SEQUENCE EQDTMTFSDG LTLNRTQMHN AGFGPLTDLV FAFAGQLLPL EMDDTETGLL DATA SEQUENCE SAICLICGDR MDLEEPEKVD KLQEPLLEAL RLYARRRRPS QPYMFPRMLM DATA SEQUENCE KITDLRGIST KGAERAITLK MEIPGPMPPL IREMLEN 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 182 L HA 0.000 nan 4.340 nan 0.000 0.249 182 L C 0.000 176.871 176.870 0.001 0.000 1.165 182 L CA 0.000 54.840 54.840 0.000 0.000 0.813 182 L CB 0.000 42.060 42.059 0.001 0.000 0.961 183 S N 0.199 115.900 115.700 0.001 0.000 2.368 183 S HA -0.013 4.457 4.470 -0.000 0.000 0.225 183 S C -1.210 173.393 174.600 0.006 0.000 1.030 183 S CA 2.045 60.247 58.200 0.003 0.000 0.999 183 S CB -1.144 62.057 63.200 0.003 0.000 0.844 183 S HN 0.777 nan 8.310 nan 0.000 0.459 184 P HA -0.144 nan 4.420 nan 0.000 0.217 184 P C 1.885 179.190 177.300 0.007 0.000 1.151 184 P CA 2.154 65.258 63.100 0.008 0.000 0.849 184 P CB -0.244 31.460 31.700 0.006 0.000 0.787 185 Q N -0.299 119.504 119.800 0.005 0.000 2.083 185 Q HA -0.103 4.236 4.340 -0.000 0.000 0.198 185 Q C 2.179 178.181 176.000 0.004 0.000 0.969 185 Q CA 1.282 57.087 55.803 0.004 0.000 0.838 185 Q CB -1.682 27.058 28.738 0.003 0.000 0.900 185 Q HN 0.233 nan 8.270 nan 0.000 0.436 186 L N 0.095 121.321 121.223 0.005 0.000 2.056 186 L HA -0.187 4.153 4.340 -0.000 0.000 0.207 186 L C 2.613 179.490 176.870 0.011 0.000 1.078 186 L CA 1.425 56.269 54.840 0.006 0.000 0.749 186 L CB -0.231 41.831 42.059 0.004 0.000 0.901 186 L HN 0.483 nan 8.230 nan 0.000 0.433 187 E N -0.115 120.095 120.200 0.016 0.000 2.077 187 E HA -0.265 4.085 4.350 -0.000 0.000 0.193 187 E C 1.978 178.588 176.600 0.016 0.000 0.989 187 E CA 1.115 57.530 56.400 0.025 0.000 0.800 187 E CB -0.114 29.602 29.700 0.027 0.000 0.746 187 E HN 0.383 nan 8.360 nan 0.000 0.452 188 E N 0.707 120.913 120.200 0.010 0.000 2.077 188 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 188 E C 1.978 178.579 176.600 0.000 0.000 0.989 188 E CA 0.400 56.803 56.400 0.006 0.000 0.800 188 E CB -0.268 29.434 29.700 0.005 0.000 0.746 188 E HN 0.110 nan 8.360 nan 0.000 0.452 189 L N 0.103 121.325 121.223 -0.002 0.000 2.093 189 L HA -0.050 4.289 4.340 -0.000 0.000 0.208 189 L C 1.898 178.758 176.870 -0.017 0.000 1.085 189 L CA 1.457 56.292 54.840 -0.009 0.000 0.755 189 L CB -0.246 41.810 42.059 -0.005 0.000 0.904 189 L HN 0.182 nan 8.230 nan 0.000 0.435 190 I N -1.019 119.540 120.570 -0.019 0.000 2.252 190 I HA -0.265 3.904 4.170 -0.000 0.000 0.245 190 I C 2.106 178.189 176.117 -0.057 0.000 1.102 190 I CA 1.606 62.873 61.300 -0.055 0.000 1.385 190 I CB -0.617 37.356 38.000 -0.044 0.000 1.064 190 I HN 0.265 nan 8.210 nan 0.000 0.414 191 T N 0.570 115.112 114.554 -0.020 0.000 2.777 191 T HA -0.131 4.219 4.350 -0.000 0.000 0.266 191 T C 1.860 176.562 174.700 0.004 0.000 1.040 191 T CA 1.107 63.203 62.100 -0.005 0.000 1.141 191 T CB -0.121 68.752 68.868 0.010 0.000 0.868 191 T HN 0.307 nan 8.240 nan 0.000 0.444 192 K N 0.730 121.129 120.400 -0.001 0.000 2.002 192 K HA -0.034 4.286 4.320 -0.000 0.000 0.209 192 K C 2.392 178.998 176.600 0.009 0.000 1.048 192 K CA 1.049 57.336 56.287 -0.000 0.000 0.930 192 K CB -0.618 31.873 32.500 -0.015 0.000 0.714 192 K HN 0.106 nan 8.250 nan 0.000 0.438 193 V N 1.143 121.057 119.914 0.001 0.000 2.287 193 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 193 V C 2.480 178.661 176.094 0.146 0.000 1.053 193 V CA 2.056 64.382 62.300 0.044 0.000 1.027 193 V CB -0.504 31.334 31.823 0.025 0.000 0.646 193 V HN 0.396 nan 8.190 nan 0.000 0.447 194 S N -0.538 115.198 115.700 0.060 0.000 2.365 194 S HA -0.280 4.190 4.470 -0.000 0.000 0.225 194 S C 2.061 176.745 174.600 0.139 0.000 1.039 194 S CA 2.087 60.325 58.200 0.063 0.000 1.033 194 S CB -0.215 62.968 63.200 -0.029 0.000 0.887 194 S HN 0.656 nan 8.310 nan 0.000 0.447 195 K N 0.791 121.251 120.400 0.101 0.000 2.057 195 K HA 0.069 4.389 4.320 -0.000 0.000 0.206 195 K C 2.496 179.178 176.600 0.138 0.000 1.050 195 K CA 1.019 57.365 56.287 0.098 0.000 0.935 195 K CB -0.437 32.098 32.500 0.058 0.000 0.715 195 K HN 0.413 nan 8.250 nan 0.000 0.439 196 A N 1.375 124.291 122.820 0.159 0.000 1.892 196 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 196 A C 2.031 179.854 177.584 0.398 0.000 1.188 196 A CA 2.139 54.302 52.037 0.210 0.000 0.631 196 A CB -0.895 18.150 19.000 0.075 0.000 0.822 196 A HN 0.453 nan 8.150 nan 0.000 0.447 197 H N -0.628 118.677 119.070 0.393 0.000 2.326 197 H HA -0.081 4.475 4.556 -0.000 0.000 0.301 197 H C 2.202 177.599 175.328 0.115 0.000 1.081 197 H CA 2.077 58.223 56.048 0.163 0.000 1.334 197 H CB -0.169 29.615 29.762 0.037 0.000 1.385 197 H HN 0.575 nan 8.280 nan 0.000 0.504 198 Q N 0.026 119.915 119.800 0.149 0.000 2.135 198 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 198 Q C 1.926 177.936 176.000 0.016 0.000 0.981 198 Q CA 1.709 57.560 55.803 0.081 0.000 0.856 198 Q CB 0.030 28.831 28.738 0.106 0.000 0.902 198 Q HN 0.695 nan 8.270 nan 0.000 0.425 199 E N -0.422 119.802 120.200 0.041 0.000 2.427 199 E HA -0.072 4.278 4.350 -0.000 0.000 0.196 199 E C 1.398 178.010 176.600 0.021 0.000 1.028 199 E CA 1.284 57.703 56.400 0.031 0.000 0.864 199 E CB 0.313 30.041 29.700 0.047 0.000 0.813 199 E HN 0.387 nan 8.360 nan 0.000 0.514 200 T N -2.321 112.239 114.554 0.010 0.000 3.040 200 T HA 0.145 4.494 4.350 -0.000 0.000 0.266 200 T C -0.128 174.583 174.700 0.018 0.000 1.005 200 T CA -0.478 61.632 62.100 0.016 0.000 0.906 200 T CB 0.145 69.049 68.868 0.061 0.000 1.082 200 T HN -0.012 nan 8.240 nan 0.000 0.531 201 F N 2.558 122.330 119.950 -0.297 0.000 2.902 201 F HA 0.526 5.053 4.527 -0.000 0.000 0.368 201 F C -3.075 172.603 175.800 -0.203 0.000 1.202 201 F CA -2.756 55.052 58.000 -0.321 0.000 1.109 201 F CB 1.607 40.238 39.000 -0.614 0.000 1.418 201 F HN -0.149 nan 8.300 nan 0.000 0.527 202 P HA 0.101 nan 4.420 nan 0.000 0.262 202 P C -0.422 176.612 177.300 -0.444 0.000 1.182 202 P CA 0.433 63.341 63.100 -0.321 0.000 0.761 202 P CB 0.663 32.208 31.700 -0.259 0.000 0.795 203 S N 2.416 117.987 115.700 -0.215 0.000 2.584 203 S HA -0.000 4.470 4.470 -0.000 0.000 0.270 203 S C 1.319 175.819 174.600 -0.167 0.000 1.346 203 S CA -0.530 57.584 58.200 -0.144 0.000 1.018 203 S CB 0.217 63.394 63.200 -0.039 0.000 0.899 203 S HN 0.426 nan 8.310 nan 0.000 0.542 204 L N 2.348 123.498 121.223 -0.121 0.000 2.056 204 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 204 L C 2.161 178.992 176.870 -0.065 0.000 1.078 204 L CA 1.748 56.527 54.840 -0.101 0.000 0.749 204 L CB -0.992 41.029 42.059 -0.065 0.000 0.901 204 L HN 0.953 nan 8.230 nan 0.000 0.433 205 C N -0.463 118.810 119.300 -0.043 0.000 2.485 205 C HA 0.019 4.479 4.460 -0.000 0.000 0.283 205 C C 2.011 176.985 174.990 -0.026 0.000 1.478 205 C CA 0.308 59.309 59.018 -0.028 0.000 1.741 205 C CB -2.225 25.506 27.740 -0.016 0.000 1.675 205 C HN 0.800 nan 8.230 nan 0.000 0.573 206 Q N -1.060 118.716 119.800 -0.040 0.000 2.164 206 Q HA 0.338 4.678 4.340 -0.000 0.000 0.226 206 Q C -0.065 175.914 176.000 -0.035 0.000 0.813 206 Q CA -0.406 55.377 55.803 -0.033 0.000 0.978 206 Q CB 0.052 28.767 28.738 -0.038 0.000 1.149 206 Q HN 0.434 nan 8.270 nan 0.000 0.489 207 L N 2.156 123.353 121.223 -0.044 0.000 2.305 207 L HA 0.461 4.801 4.340 -0.000 0.000 0.281 207 L C 0.472 177.347 176.870 0.007 0.000 1.085 207 L CA 0.215 55.038 54.840 -0.029 0.000 0.813 207 L CB 1.511 43.537 42.059 -0.055 0.000 1.157 207 L HN 0.248 nan 8.230 nan 0.000 0.436 208 G N 4.323 113.146 108.800 0.039 0.000 2.621 208 G HA2 0.170 4.130 3.960 -0.000 0.000 0.306 208 G HA3 0.170 4.130 3.960 -0.000 0.000 0.306 208 G C 0.209 175.184 174.900 0.126 0.000 0.893 208 G CA -0.512 44.628 45.100 0.067 0.000 1.486 208 G HN 0.584 nan 8.290 nan 0.000 0.477 209 K N 0.863 121.313 120.400 0.083 0.000 2.440 209 K HA 0.321 4.641 4.320 -0.000 0.000 0.270 209 K C -0.381 176.320 176.600 0.168 0.000 0.980 209 K CA 0.380 56.711 56.287 0.072 0.000 0.953 209 K CB 0.517 33.027 32.500 0.017 0.000 0.925 209 K HN 0.721 nan 8.250 nan 0.000 0.497 210 Y N -2.673 117.650 120.300 0.039 0.000 2.677 210 Y HA 0.419 4.969 4.550 -0.000 0.000 0.334 210 Y C -0.803 175.129 175.900 0.054 0.000 1.196 210 Y CA -1.187 56.935 58.100 0.038 0.000 1.059 210 Y CB 0.944 39.422 38.460 0.030 0.000 1.315 210 Y HN 0.686 nan 8.280 nan 0.000 0.455 211 T N -1.165 113.468 114.554 0.132 0.000 2.807 211 T HA 0.806 5.156 4.350 -0.000 0.000 0.277 211 T C -0.701 174.086 174.700 0.145 0.000 1.006 211 T CA -0.310 61.814 62.100 0.040 0.000 1.006 211 T CB 1.626 70.525 68.868 0.052 0.000 1.274 211 T HN 1.209 nan 8.240 nan 0.000 0.569 212 T N -0.258 114.348 114.554 0.087 0.000 2.883 212 T HA 0.450 4.800 4.350 -0.000 0.000 0.301 212 T C -0.422 174.320 174.700 0.070 0.000 1.158 212 T CA -0.594 61.565 62.100 0.099 0.000 1.007 212 T CB 1.354 70.278 68.868 0.093 0.000 1.186 212 T HN 0.815 nan 8.240 nan 0.000 0.499 213 N N 1.276 120.015 118.700 0.064 0.000 2.235 213 N HA 0.195 4.935 4.740 -0.000 0.000 0.209 213 N C -0.086 175.452 175.510 0.047 0.000 1.122 213 N CA -0.421 52.659 53.050 0.051 0.000 0.845 213 N CB 0.328 38.843 38.487 0.047 0.000 1.004 213 N HN 0.280 nan 8.380 nan 0.000 0.499 214 S N 0.664 116.394 115.700 0.050 0.000 2.533 214 S HA 0.084 4.554 4.470 -0.000 0.000 0.282 214 S C 0.306 174.927 174.600 0.036 0.000 1.304 214 S CA -0.384 57.843 58.200 0.044 0.000 1.063 214 S CB 0.201 63.431 63.200 0.049 0.000 0.881 214 S HN 0.393 nan 8.310 nan 0.000 0.493 215 S N 1.826 117.542 115.700 0.025 0.000 3.311 215 S HA -0.280 4.189 4.470 -0.000 0.000 0.373 215 S C 1.220 175.819 174.600 -0.002 0.000 0.945 215 S CA 0.488 58.686 58.200 -0.002 0.000 1.238 215 S CB -1.300 61.883 63.200 -0.028 0.000 0.893 215 S HN 0.906 nan 8.310 nan 0.000 0.478 216 A N 0.226 123.059 122.820 0.022 0.000 2.072 216 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 216 A C 1.877 179.476 177.584 0.026 0.000 1.156 216 A CA 0.948 52.999 52.037 0.023 0.000 0.701 216 A CB -0.141 18.879 19.000 0.033 0.000 0.816 216 A HN 0.671 nan 8.150 nan 0.000 0.458 217 D N -0.085 120.346 120.400 0.052 0.000 2.137 217 D HA -0.167 4.473 4.640 -0.000 0.000 0.193 217 D C 0.494 176.880 176.300 0.144 0.000 0.993 217 D CA 1.712 55.777 54.000 0.108 0.000 0.846 217 D CB -0.028 40.886 40.800 0.191 0.000 0.990 217 D HN 0.656 nan 8.370 nan 0.000 0.448 218 H N -1.840 117.217 119.070 -0.022 0.000 2.990 218 H HA 0.414 4.970 4.556 -0.000 0.000 0.343 218 H C -0.599 174.694 175.328 -0.058 0.000 1.270 218 H CA -0.892 55.127 56.048 -0.048 0.000 1.118 218 H CB 0.537 30.273 29.762 -0.044 0.000 1.861 218 H HN -0.109 nan 8.280 nan 0.000 0.544 219 R N 0.732 121.078 120.500 -0.257 0.000 2.590 219 R HA 0.415 4.755 4.340 -0.000 0.000 0.274 219 R C 0.154 176.274 176.300 -0.301 0.000 1.061 219 R CA 0.029 55.918 56.100 -0.352 0.000 1.081 219 R CB 0.908 30.874 30.300 -0.558 0.000 0.984 219 R HN 0.516 nan 8.270 nan 0.000 0.448 220 V N -0.807 119.035 119.914 -0.121 0.000 3.182 220 V HA 0.180 4.300 4.120 -0.000 0.000 0.308 220 V C 0.909 177.063 176.094 0.100 0.000 1.240 220 V CA -0.953 61.322 62.300 -0.040 0.000 1.063 220 V CB 1.976 33.731 31.823 -0.114 0.000 1.076 220 V HN 0.826 nan 8.190 nan 0.000 0.446 221 Q N 0.193 120.025 119.800 0.053 0.000 2.124 221 Q HA 0.151 4.490 4.340 -0.000 0.000 0.202 221 Q C 0.071 176.054 176.000 -0.029 0.000 0.977 221 Q CA 2.070 57.888 55.803 0.025 0.000 0.850 221 Q CB 0.164 28.899 28.738 -0.004 0.000 0.901 221 Q HN 0.687 nan 8.270 nan 0.000 0.429 222 L N 0.514 121.724 121.223 -0.022 0.000 2.902 222 L HA 0.170 4.510 4.340 -0.000 0.000 0.261 222 L C -2.178 174.694 176.870 0.003 0.000 0.928 222 L CA -0.644 54.173 54.840 -0.038 0.000 1.024 222 L CB 1.784 43.780 42.059 -0.105 0.000 1.629 222 L HN 0.001 nan 8.230 nan 0.000 0.478 223 D N 5.206 125.628 120.400 0.037 0.000 2.359 223 D HA 0.264 4.904 4.640 -0.000 0.000 0.230 223 D C 0.909 177.278 176.300 0.115 0.000 1.118 223 D CA -0.302 53.733 54.000 0.058 0.000 0.844 223 D CB 1.611 42.443 40.800 0.053 0.000 1.059 223 D HN 0.615 nan 8.370 nan 0.000 0.493 224 L N 3.225 124.514 121.223 0.110 0.000 2.201 224 L HA -0.014 4.326 4.340 -0.000 0.000 0.212 224 L C 2.401 179.381 176.870 0.183 0.000 1.105 224 L CA 1.123 56.068 54.840 0.174 0.000 0.775 224 L CB -0.098 42.033 42.059 0.121 0.000 0.913 224 L HN 0.500 nan 8.230 nan 0.000 0.440 225 G N -0.104 108.768 108.800 0.119 0.000 2.394 225 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.214 225 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.214 225 G C 1.498 176.456 174.900 0.095 0.000 1.176 225 G CA 0.207 45.361 45.100 0.090 0.000 0.786 225 G HN 0.096 nan 8.290 nan 0.000 0.533 226 L N 0.150 121.439 121.223 0.109 0.000 2.042 226 L HA -0.004 4.336 4.340 -0.000 0.000 0.210 226 L C 2.422 179.392 176.870 0.168 0.000 1.076 226 L CA 1.269 56.171 54.840 0.103 0.000 0.749 226 L CB -0.777 41.336 42.059 0.089 0.000 0.893 226 L HN 0.584 nan 8.230 nan 0.000 0.432 227 W N 0.526 121.860 121.300 0.057 0.000 2.363 227 W HA -0.221 4.439 4.660 -0.000 0.000 0.296 227 W C 1.745 178.341 176.519 0.128 0.000 1.212 227 W CA 1.494 58.914 57.345 0.125 0.000 1.260 227 W CB -0.090 29.416 29.460 0.077 0.000 1.131 227 W HN 0.253 nan 8.180 nan 0.000 0.530 228 D N 0.978 121.323 120.400 -0.092 0.000 2.084 228 D HA -0.220 4.419 4.640 -0.000 0.000 0.194 228 D C 1.886 178.029 176.300 -0.260 0.000 0.990 228 D CA 1.949 55.798 54.000 -0.252 0.000 0.826 228 D CB -0.581 40.186 40.800 -0.056 0.000 0.971 228 D HN 0.051 nan 8.370 nan 0.000 0.453 229 K N 0.723 121.049 120.400 -0.124 0.000 2.032 229 K HA -0.168 4.152 4.320 -0.000 0.000 0.209 229 K C 2.010 178.487 176.600 -0.206 0.000 1.048 229 K CA 0.870 57.084 56.287 -0.123 0.000 0.927 229 K CB -0.960 31.508 32.500 -0.054 0.000 0.712 229 K HN 0.101 nan 8.250 nan 0.000 0.441 230 F N 1.323 121.047 119.950 -0.376 0.000 2.069 230 F HA -0.234 4.293 4.527 -0.000 0.000 0.298 230 F C 2.186 177.699 175.800 -0.478 0.000 1.113 230 F CA 2.455 60.187 58.000 -0.448 0.000 1.214 230 F CB -1.006 37.830 39.000 -0.273 0.000 0.978 230 F HN 0.225 nan 8.300 nan 0.000 0.474 231 S N -0.494 114.627 115.700 -0.964 0.000 2.402 231 S HA -0.234 4.236 4.470 -0.000 0.000 0.229 231 S C 2.062 176.289 174.600 -0.622 0.000 1.021 231 S CA 1.088 58.635 58.200 -1.089 0.000 0.974 231 S CB -0.926 61.396 63.200 -1.463 0.000 0.800 231 S HN 0.719 nan 8.310 nan 0.000 0.484 232 E N 1.481 121.405 120.200 -0.460 0.000 2.077 232 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 232 E C 2.050 178.510 176.600 -0.233 0.000 0.989 232 E CA 1.236 57.469 56.400 -0.278 0.000 0.800 232 E CB -0.264 29.316 29.700 -0.201 0.000 0.746 232 E HN 0.622 nan 8.360 nan 0.000 0.452 233 L N 0.430 121.496 121.223 -0.262 0.000 2.093 233 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 233 L C 2.763 179.538 176.870 -0.158 0.000 1.085 233 L CA 0.940 55.683 54.840 -0.161 0.000 0.755 233 L CB -0.486 41.484 42.059 -0.147 0.000 0.904 233 L HN 0.191 nan 8.230 nan 0.000 0.435 234 A N -0.253 122.366 122.820 -0.335 0.000 1.877 234 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 234 A C 2.370 179.845 177.584 -0.182 0.000 1.186 234 A CA 2.400 54.259 52.037 -0.297 0.000 0.620 234 A CB -0.991 17.677 19.000 -0.554 0.000 0.822 234 A HN 0.354 nan 8.150 nan 0.000 0.443 235 T N 0.135 114.568 114.554 -0.202 0.000 2.699 235 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 235 T C 1.897 176.551 174.700 -0.077 0.000 1.036 235 T CA 1.959 63.982 62.100 -0.128 0.000 1.147 235 T CB -0.254 68.534 68.868 -0.133 0.000 0.862 235 T HN 0.592 nan 8.240 nan 0.000 0.446 236 K N 0.075 120.432 120.400 -0.071 0.000 2.097 236 K HA 0.008 4.328 4.320 -0.000 0.000 0.205 236 K C 2.617 179.214 176.600 -0.006 0.000 1.050 236 K CA 0.947 57.215 56.287 -0.031 0.000 0.938 236 K CB -0.433 32.053 32.500 -0.023 0.000 0.718 236 K HN 0.311 nan 8.250 nan 0.000 0.442 237 C N 1.070 120.370 119.300 0.000 0.000 2.446 237 C HA 0.043 4.503 4.460 -0.000 0.000 0.279 237 C C 2.361 177.352 174.990 0.003 0.000 1.366 237 C CA 0.185 59.221 59.018 0.030 0.000 1.763 237 C CB -0.814 26.966 27.740 0.067 0.000 1.929 237 C HN 0.358 nan 8.230 nan 0.000 0.509 238 I N 0.366 120.926 120.570 -0.017 0.000 2.353 238 I HA -0.135 4.034 4.170 -0.000 0.000 0.248 238 I C 2.285 178.401 176.117 -0.001 0.000 1.119 238 I CA 1.476 62.767 61.300 -0.015 0.000 1.417 238 I CB -0.317 37.668 38.000 -0.026 0.000 1.078 238 I HN 0.291 nan 8.210 nan 0.000 0.421 239 I N 0.390 120.959 120.570 -0.001 0.000 2.252 239 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 239 I C 2.498 178.627 176.117 0.019 0.000 1.102 239 I CA 1.039 62.344 61.300 0.008 0.000 1.385 239 I CB -0.403 37.598 38.000 0.002 0.000 1.064 239 I HN 0.131 nan 8.210 nan 0.000 0.414 240 K N 0.950 121.363 120.400 0.022 0.000 2.103 240 K HA -0.116 4.204 4.320 -0.000 0.000 0.207 240 K C 2.006 178.636 176.600 0.051 0.000 1.048 240 K CA 1.484 57.792 56.287 0.036 0.000 0.930 240 K CB -0.401 32.124 32.500 0.042 0.000 0.716 240 K HN 0.370 nan 8.250 nan 0.000 0.444 241 I N 0.398 120.986 120.570 0.030 0.000 2.252 241 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 241 I C 2.163 178.317 176.117 0.061 0.000 1.102 241 I CA 0.680 62.008 61.300 0.047 0.000 1.385 241 I CB -0.149 37.849 38.000 -0.004 0.000 1.064 241 I HN -0.163 nan 8.210 nan 0.000 0.414 242 V N 0.643 120.571 119.914 0.023 0.000 2.407 242 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 242 V C 2.443 178.524 176.094 -0.021 0.000 1.055 242 V CA 2.057 64.356 62.300 -0.002 0.000 1.049 242 V CB -0.636 31.206 31.823 0.031 0.000 0.662 242 V HN 0.492 nan 8.190 nan 0.000 0.455 243 E N -0.218 119.994 120.200 0.020 0.000 2.051 243 E HA -0.260 4.090 4.350 -0.000 0.000 0.192 243 E C 2.122 178.728 176.600 0.011 0.000 0.991 243 E CA 1.607 58.020 56.400 0.022 0.000 0.799 243 E CB -0.218 29.510 29.700 0.045 0.000 0.748 243 E HN 0.549 nan 8.360 nan 0.000 0.449 244 F N 1.367 121.258 119.950 -0.100 0.000 2.069 244 F HA -0.169 4.358 4.527 -0.000 0.000 0.298 244 F C 2.086 177.769 175.800 -0.195 0.000 1.113 244 F CA 1.816 59.751 58.000 -0.109 0.000 1.214 244 F CB -0.754 38.191 39.000 -0.091 0.000 0.978 244 F HN 0.086 nan 8.300 nan 0.000 0.474 245 A N 0.665 123.223 122.820 -0.438 0.000 1.917 245 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 245 A C 2.159 179.218 177.584 -0.875 0.000 1.182 245 A CA 1.923 53.400 52.037 -0.933 0.000 0.633 245 A CB -0.699 17.585 19.000 -1.193 0.000 0.819 245 A HN 0.344 nan 8.150 nan 0.000 0.448 246 K N -0.195 119.960 120.400 -0.408 0.000 2.280 246 K HA -0.047 4.273 4.320 -0.000 0.000 0.202 246 K C 1.680 178.232 176.600 -0.078 0.000 1.047 246 K CA 1.027 57.275 56.287 -0.065 0.000 0.942 246 K CB -0.289 32.226 32.500 0.025 0.000 0.739 246 K HN 0.571 nan 8.250 nan 0.000 0.457 247 R N 0.195 120.580 120.500 -0.193 0.000 2.317 247 R HA 0.204 4.543 4.340 -0.000 0.000 0.208 247 R C 0.271 176.452 176.300 -0.198 0.000 0.914 247 R CA -0.100 55.908 56.100 -0.153 0.000 1.060 247 R CB 0.134 30.356 30.300 -0.130 0.000 1.015 247 R HN 0.024 nan 8.270 nan 0.000 0.498 248 L N 2.822 123.875 121.223 -0.283 0.000 2.290 248 L HA 0.269 4.609 4.340 -0.000 0.000 0.284 248 L C -2.145 174.690 176.870 -0.058 0.000 1.078 248 L CA -2.211 52.490 54.840 -0.232 0.000 0.815 248 L CB 0.736 42.599 42.059 -0.326 0.000 1.162 248 L HN -0.307 nan 8.230 nan 0.000 0.435 249 P HA 0.003 nan 4.420 nan 0.000 0.258 249 P C 0.818 178.136 177.300 0.029 0.000 1.187 249 P CA 0.823 63.922 63.100 -0.001 0.000 0.767 249 P CB 0.617 32.312 31.700 -0.009 0.000 0.770 250 G N 2.846 111.669 108.800 0.039 0.000 2.234 250 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.235 250 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.235 250 G C 0.824 175.754 174.900 0.051 0.000 0.997 250 G CA 0.140 45.260 45.100 0.034 0.000 0.623 250 G HN 0.484 nan 8.290 nan 0.000 0.514 251 F N 2.150 122.070 119.950 -0.050 0.000 2.075 251 F HA 0.023 4.550 4.527 -0.000 0.000 0.297 251 F C 2.657 178.436 175.800 -0.035 0.000 1.113 251 F CA 2.755 60.726 58.000 -0.047 0.000 1.218 251 F CB -0.426 38.532 39.000 -0.071 0.000 0.984 251 F HN 0.124 nan 8.300 nan 0.000 0.472 252 T N -0.371 114.232 114.554 0.081 0.000 2.946 252 T HA -0.095 4.255 4.350 -0.000 0.000 0.271 252 T C 1.810 176.470 174.700 -0.067 0.000 1.104 252 T CA 1.199 63.305 62.100 0.010 0.000 1.114 252 T CB -0.805 68.106 68.868 0.070 0.000 0.867 252 T HN 0.456 nan 8.240 nan 0.000 0.513 253 G N -0.062 108.695 108.800 -0.072 0.000 2.939 253 G HA2 0.268 4.228 3.960 -0.000 0.000 0.210 253 G HA3 0.268 4.228 3.960 -0.000 0.000 0.210 253 G C 0.334 175.171 174.900 -0.106 0.000 1.160 253 G CA -0.228 44.831 45.100 -0.069 0.000 0.770 253 G HN 0.269 nan 8.290 nan 0.000 0.543 254 L N 1.697 122.809 121.223 -0.185 0.000 2.466 254 L HA 0.366 4.706 4.340 -0.000 0.000 0.257 254 L C 1.237 177.996 176.870 -0.186 0.000 1.189 254 L CA -0.617 54.098 54.840 -0.208 0.000 0.813 254 L CB 1.337 43.189 42.059 -0.345 0.000 1.118 254 L HN 0.159 nan 8.230 nan 0.000 0.471 255 S N 1.794 117.408 115.700 -0.143 0.000 2.572 255 S HA 0.052 4.522 4.470 -0.000 0.000 0.279 255 S C 1.378 175.897 174.600 -0.135 0.000 1.341 255 S CA -0.473 57.661 58.200 -0.110 0.000 1.043 255 S CB 0.283 63.436 63.200 -0.078 0.000 0.887 255 S HN 0.584 nan 8.310 nan 0.000 0.516 256 I N 1.894 122.405 120.570 -0.098 0.000 2.335 256 I HA -0.169 4.001 4.170 -0.000 0.000 0.251 256 I C 2.340 178.416 176.117 -0.068 0.000 1.129 256 I CA 1.835 63.085 61.300 -0.083 0.000 1.402 256 I CB -1.529 36.443 38.000 -0.046 0.000 1.069 256 I HN 0.919 nan 8.210 nan 0.000 0.424 257 A N 0.188 122.973 122.820 -0.058 0.000 1.898 257 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 257 A C 1.939 179.492 177.584 -0.051 0.000 1.181 257 A CA 1.847 53.860 52.037 -0.041 0.000 0.620 257 A CB -0.601 18.379 19.000 -0.033 0.000 0.819 257 A HN 0.393 nan 8.150 nan 0.000 0.442 258 D N -0.417 119.934 120.400 -0.081 0.000 2.117 258 D HA -0.119 4.521 4.640 -0.000 0.000 0.198 258 D C 2.260 178.485 176.300 -0.125 0.000 0.982 258 D CA 1.301 55.245 54.000 -0.094 0.000 0.828 258 D CB -0.387 40.345 40.800 -0.113 0.000 0.967 258 D HN 0.590 nan 8.370 nan 0.000 0.464 259 Q N 0.032 119.693 119.800 -0.232 0.000 2.061 259 Q HA -0.124 4.216 4.340 -0.000 0.000 0.204 259 Q C 2.437 178.458 176.000 0.034 0.000 0.984 259 Q CA 0.931 56.543 55.803 -0.318 0.000 0.846 259 Q CB -0.091 28.400 28.738 -0.412 0.000 0.902 259 Q HN 0.371 nan 8.270 nan 0.000 0.421 260 I N 0.201 120.780 120.570 0.015 0.000 2.315 260 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 260 I C 2.201 178.350 176.117 0.053 0.000 1.117 260 I CA 1.065 62.397 61.300 0.054 0.000 1.404 260 I CB -0.403 37.613 38.000 0.026 0.000 1.071 260 I HN 0.215 nan 8.210 nan 0.000 0.419 261 T N 1.447 116.016 114.554 0.026 0.000 2.746 261 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 261 T C 1.955 176.685 174.700 0.051 0.000 1.039 261 T CA 1.240 63.355 62.100 0.026 0.000 1.142 261 T CB -0.203 68.668 68.868 0.004 0.000 0.866 261 T HN 0.248 nan 8.240 nan 0.000 0.444 262 L N 0.216 121.487 121.223 0.081 0.000 2.093 262 L HA 0.006 4.346 4.340 -0.000 0.000 0.208 262 L C 2.429 179.382 176.870 0.139 0.000 1.085 262 L CA 0.988 55.905 54.840 0.128 0.000 0.755 262 L CB -0.568 41.624 42.059 0.221 0.000 0.904 262 L HN 0.260 nan 8.230 nan 0.000 0.435 263 L N -0.366 120.956 121.223 0.165 0.000 2.027 263 L HA -0.199 4.141 4.340 -0.000 0.000 0.206 263 L C 2.732 179.644 176.870 0.071 0.000 1.074 263 L CA 1.320 56.234 54.840 0.124 0.000 0.745 263 L CB -0.508 41.635 42.059 0.141 0.000 0.898 263 L HN 0.186 nan 8.230 nan 0.000 0.433 264 K N 0.103 120.539 120.400 0.059 0.000 2.057 264 K HA -0.140 4.180 4.320 -0.000 0.000 0.207 264 K C 2.183 178.800 176.600 0.029 0.000 1.049 264 K CA 1.474 57.783 56.287 0.037 0.000 0.931 264 K CB -0.255 32.263 32.500 0.030 0.000 0.714 264 K HN 0.300 nan 8.250 nan 0.000 0.440 265 A N 1.077 123.918 122.820 0.034 0.000 1.929 265 A HA 0.008 4.328 4.320 -0.000 0.000 0.216 265 A C 2.137 179.734 177.584 0.022 0.000 1.176 265 A CA 1.717 53.769 52.037 0.026 0.000 0.628 265 A CB -0.191 18.826 19.000 0.029 0.000 0.816 265 A HN 0.314 nan 8.150 nan 0.000 0.444 266 A N -2.302 120.537 122.820 0.032 0.000 2.343 266 A HA 0.198 4.517 4.320 -0.000 0.000 0.223 266 A C 1.902 179.492 177.584 0.010 0.000 1.214 266 A CA 0.723 52.773 52.037 0.022 0.000 0.900 266 A CB -1.017 18.007 19.000 0.039 0.000 0.942 266 A HN 0.532 nan 8.150 nan 0.000 0.507 267 C N -0.621 118.688 119.300 0.015 0.000 2.398 267 C HA -0.129 4.331 4.460 -0.000 0.000 0.276 267 C C 2.428 177.412 174.990 -0.009 0.000 1.222 267 C CA 1.502 60.522 59.018 0.003 0.000 1.746 267 C CB -1.216 26.530 27.740 0.010 0.000 2.039 267 C HN 0.644 nan 8.230 nan 0.000 0.470 268 L N 0.412 121.631 121.223 -0.006 0.000 2.017 268 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 268 L C 2.323 179.181 176.870 -0.020 0.000 1.073 268 L CA 2.191 57.027 54.840 -0.006 0.000 0.745 268 L CB -0.806 41.251 42.059 -0.005 0.000 0.894 268 L HN 0.408 nan 8.230 nan 0.000 0.432 269 D N 0.162 120.542 120.400 -0.033 0.000 2.116 269 D HA -0.249 4.391 4.640 -0.000 0.000 0.193 269 D C 2.148 178.415 176.300 -0.056 0.000 0.998 269 D CA 1.556 55.523 54.000 -0.056 0.000 0.836 269 D CB -0.233 40.541 40.800 -0.043 0.000 0.951 269 D HN 0.398 nan 8.370 nan 0.000 0.449 270 I N 0.359 120.898 120.570 -0.052 0.000 2.252 270 I HA -0.209 3.961 4.170 -0.000 0.000 0.245 270 I C 2.470 178.524 176.117 -0.106 0.000 1.102 270 I CA 0.559 61.805 61.300 -0.090 0.000 1.385 270 I CB -0.211 37.732 38.000 -0.094 0.000 1.064 270 I HN -0.010 nan 8.210 nan 0.000 0.414 271 L N -0.209 120.981 121.223 -0.056 0.000 2.042 271 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 271 L C 2.792 179.676 176.870 0.024 0.000 1.076 271 L CA 1.274 56.107 54.840 -0.011 0.000 0.749 271 L CB -0.450 41.628 42.059 0.033 0.000 0.893 271 L HN 0.299 nan 8.230 nan 0.000 0.432 272 M N -0.822 118.789 119.600 0.018 0.000 2.059 272 M HA -0.231 4.249 4.480 -0.000 0.000 0.259 272 M C 2.435 178.754 176.300 0.031 0.000 1.072 272 M CA 1.758 57.072 55.300 0.023 0.000 1.117 272 M CB -1.081 31.470 32.600 -0.083 0.000 1.320 272 M HN 0.244 nan 8.290 nan 0.000 0.408 273 L N 0.453 121.683 121.223 0.012 0.000 2.042 273 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 273 L C 2.502 179.359 176.870 -0.021 0.000 1.076 273 L CA 1.856 56.733 54.840 0.061 0.000 0.749 273 L CB -0.554 41.508 42.059 0.005 0.000 0.893 273 L HN 0.204 nan 8.230 nan 0.000 0.432 274 R N -0.420 120.000 120.500 -0.134 0.000 2.070 274 R HA -0.167 4.173 4.340 -0.000 0.000 0.232 274 R C 2.195 178.551 176.300 0.094 0.000 1.138 274 R CA 2.139 58.107 56.100 -0.220 0.000 0.936 274 R CB -0.793 29.187 30.300 -0.533 0.000 0.839 274 R HN 0.528 nan 8.270 nan 0.000 0.429 275 I N -0.762 119.839 120.570 0.051 0.000 2.361 275 I HA -0.204 3.966 4.170 -0.000 0.000 0.251 275 I C 2.271 178.340 176.117 -0.080 0.000 1.133 275 I CA 0.948 62.219 61.300 -0.048 0.000 1.413 275 I CB -0.964 36.930 38.000 -0.176 0.000 1.073 275 I HN 0.072 nan 8.210 nan 0.000 0.424 276 C N 1.412 120.688 119.300 -0.039 0.000 2.425 276 C HA -0.132 4.327 4.460 -0.000 0.000 0.277 276 C C 3.023 178.008 174.990 -0.007 0.000 1.280 276 C CA 1.712 60.696 59.018 -0.058 0.000 1.744 276 C CB -1.564 26.230 27.740 0.090 0.000 1.989 276 C HN 0.726 nan 8.230 nan 0.000 0.491 277 T N -1.785 112.797 114.554 0.048 0.000 3.113 277 T HA -0.019 4.331 4.350 -0.000 0.000 0.263 277 T C 1.365 176.124 174.700 0.098 0.000 1.143 277 T CA 0.818 62.965 62.100 0.078 0.000 1.090 277 T CB -0.300 68.638 68.868 0.117 0.000 0.922 277 T HN 0.444 nan 8.240 nan 0.000 0.521 278 R N 0.415 120.959 120.500 0.074 0.000 2.515 278 R HA 0.243 4.583 4.340 -0.000 0.000 0.294 278 R C -0.636 175.663 176.300 -0.002 0.000 1.021 278 R CA -0.396 55.714 56.100 0.017 0.000 1.081 278 R CB -0.302 29.980 30.300 -0.029 0.000 1.263 278 R HN 0.502 nan 8.270 nan 0.000 0.557 279 Y N 0.847 121.063 120.300 -0.139 0.000 2.309 279 Y HA 0.136 4.685 4.550 -0.000 0.000 0.327 279 Y C -0.193 175.652 175.900 -0.092 0.000 1.172 279 Y CA -0.077 57.922 58.100 -0.168 0.000 1.280 279 Y CB 1.232 39.564 38.460 -0.213 0.000 1.234 279 Y HN -0.180 nan 8.280 nan 0.000 0.512 280 T N 9.529 123.743 114.554 -0.567 0.000 3.060 280 T HA 0.194 4.544 4.350 -0.000 0.000 0.367 280 T C -1.906 172.322 174.700 -0.786 0.000 1.229 280 T CA -1.174 60.626 62.100 -0.500 0.000 1.104 280 T CB 1.151 69.880 68.868 -0.232 0.000 1.083 280 T HN 0.532 nan 8.240 nan 0.000 0.524 281 P HA -0.190 nan 4.420 nan 0.000 0.215 281 P C 1.441 178.599 177.300 -0.236 0.000 1.163 281 P CA 1.225 63.976 63.100 -0.582 0.000 0.894 281 P CB 0.473 32.013 31.700 -0.268 0.000 0.791 282 E N -0.374 119.724 120.200 -0.169 0.000 2.118 282 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 282 E C 2.066 178.626 176.600 -0.066 0.000 0.992 282 E CA 1.140 57.488 56.400 -0.086 0.000 0.804 282 E CB -0.191 29.469 29.700 -0.067 0.000 0.741 282 E HN 0.390 nan 8.360 nan 0.000 0.458 283 Q N -0.169 119.579 119.800 -0.088 0.000 2.402 283 Q HA -0.018 4.322 4.340 -0.000 0.000 0.206 283 Q C -0.000 176.001 176.000 0.002 0.000 0.919 283 Q CA 0.361 56.140 55.803 -0.039 0.000 0.923 283 Q CB 0.076 28.791 28.738 -0.038 0.000 1.048 283 Q HN 0.186 nan 8.270 nan 0.000 0.515 284 D N 1.324 121.713 120.400 -0.018 0.000 2.746 284 D HA -0.130 4.510 4.640 -0.000 0.000 0.241 284 D C -0.883 175.633 176.300 0.360 0.000 1.140 284 D CA 1.202 55.321 54.000 0.199 0.000 0.707 284 D CB -0.758 40.153 40.800 0.184 0.000 1.034 284 D HN 0.398 nan 8.370 nan 0.000 0.423 285 T N -2.030 112.676 114.554 0.253 0.000 2.865 285 T HA 0.785 5.135 4.350 -0.000 0.000 0.294 285 T C 0.079 174.889 174.700 0.185 0.000 1.119 285 T CA -1.167 61.098 62.100 0.274 0.000 1.007 285 T CB 1.688 70.623 68.868 0.112 0.000 1.225 285 T HN 0.122 nan 8.240 nan 0.000 0.515 286 M N 1.209 120.860 119.600 0.085 0.000 2.464 286 M HA 0.470 4.950 4.480 -0.000 0.000 0.308 286 M C -1.026 175.173 176.300 -0.169 0.000 1.127 286 M CA -0.660 54.573 55.300 -0.111 0.000 0.913 286 M CB 2.831 35.241 32.600 -0.317 0.000 1.689 286 M HN 0.691 nan 8.290 nan 0.000 0.445 287 T N 2.435 116.866 114.554 -0.204 0.000 2.779 287 T HA 0.605 4.955 4.350 -0.000 0.000 0.280 287 T C -0.513 174.043 174.700 -0.240 0.000 0.987 287 T CA -0.333 61.677 62.100 -0.150 0.000 0.966 287 T CB 0.533 69.350 68.868 -0.084 0.000 0.933 287 T HN 0.238 nan 8.240 nan 0.000 0.442 288 F N 0.827 120.782 119.950 0.008 0.000 2.368 288 F HA 0.258 4.784 4.527 -0.000 0.000 0.308 288 F C 2.171 177.959 175.800 -0.020 0.000 1.198 288 F CA -0.482 57.543 58.000 0.041 0.000 1.130 288 F CB 0.379 39.424 39.000 0.075 0.000 1.300 288 F HN 0.480 nan 8.300 nan 0.000 0.537 289 S N -0.057 115.742 115.700 0.165 0.000 2.440 289 S HA -0.179 4.291 4.470 -0.000 0.000 0.238 289 S C 1.319 175.938 174.600 0.031 0.000 1.010 289 S CA 1.464 59.669 58.200 0.009 0.000 0.972 289 S CB -0.485 62.726 63.200 0.019 0.000 0.774 289 S HN 0.720 nan 8.310 nan 0.000 0.501 290 D N -0.460 120.010 120.400 0.117 0.000 2.328 290 D HA 0.201 4.841 4.640 -0.000 0.000 0.221 290 D C 1.173 177.604 176.300 0.218 0.000 1.072 290 D CA 0.732 54.819 54.000 0.144 0.000 0.850 290 D CB -0.255 40.655 40.800 0.182 0.000 0.922 290 D HN 0.374 nan 8.370 nan 0.000 0.516 291 G N 0.542 109.420 108.800 0.131 0.000 2.195 291 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.246 291 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.246 291 G C 0.045 174.860 174.900 -0.142 0.000 0.984 291 G CA 0.100 45.253 45.100 0.089 0.000 0.633 291 G HN 0.469 nan 8.290 nan 0.000 0.525 292 L N 2.912 123.998 121.223 -0.228 0.000 2.562 292 L HA 0.565 4.905 4.340 -0.000 0.000 0.271 292 L C 0.263 177.086 176.870 -0.079 0.000 1.167 292 L CA 0.805 55.306 54.840 -0.564 0.000 0.917 292 L CB 0.501 42.415 42.059 -0.242 0.000 1.187 292 L HN 0.125 nan 8.230 nan 0.000 0.482 293 T N 7.096 121.545 114.554 -0.176 0.000 2.756 293 T HA 0.497 4.847 4.350 -0.000 0.000 0.290 293 T C -0.156 174.585 174.700 0.067 0.000 0.985 293 T CA -0.363 61.736 62.100 -0.001 0.000 0.955 293 T CB 0.504 69.348 68.868 -0.039 0.000 0.930 293 T HN 0.419 nan 8.240 nan 0.000 0.451 294 L N 4.205 125.543 121.223 0.192 0.000 2.317 294 L HA 0.499 4.839 4.340 -0.000 0.000 0.281 294 L C 0.575 177.562 176.870 0.195 0.000 1.024 294 L CA -1.242 53.721 54.840 0.205 0.000 0.810 294 L CB 1.298 43.554 42.059 0.328 0.000 1.240 294 L HN 0.651 nan 8.230 nan 0.000 0.427 295 N N 1.833 120.615 118.700 0.136 0.000 2.347 295 N HA 0.118 4.858 4.740 -0.000 0.000 0.253 295 N C 0.724 176.286 175.510 0.087 0.000 1.274 295 N CA -0.542 52.578 53.050 0.116 0.000 0.941 295 N CB 0.570 39.088 38.487 0.051 0.000 1.200 295 N HN 0.488 nan 8.380 nan 0.000 0.514 296 R N -0.895 119.557 120.500 -0.080 0.000 2.105 296 R HA -0.141 4.199 4.340 -0.000 0.000 0.239 296 R C 1.140 177.317 176.300 -0.205 0.000 1.135 296 R CA 1.890 57.731 56.100 -0.432 0.000 0.967 296 R CB -0.580 29.244 30.300 -0.793 0.000 0.861 296 R HN 0.748 nan 8.270 nan 0.000 0.442 297 T N 0.704 115.191 114.554 -0.111 0.000 2.777 297 T HA -0.128 4.222 4.350 -0.000 0.000 0.266 297 T C 1.678 176.396 174.700 0.029 0.000 1.040 297 T CA 1.364 63.424 62.100 -0.066 0.000 1.141 297 T CB -0.043 68.781 68.868 -0.073 0.000 0.868 297 T HN 0.425 nan 8.240 nan 0.000 0.444 298 Q N 0.053 119.881 119.800 0.047 0.000 2.119 298 Q HA -0.008 4.332 4.340 -0.000 0.000 0.201 298 Q C 2.412 178.485 176.000 0.121 0.000 0.972 298 Q CA 1.019 56.871 55.803 0.082 0.000 0.847 298 Q CB -0.166 28.623 28.738 0.086 0.000 0.903 298 Q HN 0.408 nan 8.270 nan 0.000 0.433 299 M N -0.092 119.602 119.600 0.157 0.000 2.159 299 M HA -0.186 4.294 4.480 -0.000 0.000 0.263 299 M C 2.157 178.587 176.300 0.216 0.000 1.063 299 M CA 1.510 56.931 55.300 0.201 0.000 1.110 299 M CB -1.139 31.575 32.600 0.190 0.000 1.374 299 M HN 0.358 nan 8.290 nan 0.000 0.411 300 H N 1.023 120.134 119.070 0.070 0.000 2.293 300 H HA -0.115 4.440 4.556 -0.000 0.000 0.300 300 H C 1.474 176.824 175.328 0.036 0.000 1.082 300 H CA 1.826 57.912 56.048 0.062 0.000 1.308 300 H CB -0.092 29.661 29.762 -0.014 0.000 1.375 300 H HN 0.296 nan 8.280 nan 0.000 0.495 301 N N 0.883 119.705 118.700 0.203 0.000 2.289 301 N HA -0.085 4.655 4.740 -0.000 0.000 0.184 301 N C 1.984 177.517 175.510 0.039 0.000 1.016 301 N CA 1.138 54.257 53.050 0.115 0.000 0.872 301 N CB -0.540 37.999 38.487 0.086 0.000 0.973 301 N HN 0.454 nan 8.380 nan 0.000 0.433 302 A N -0.529 122.305 122.820 0.023 0.000 2.015 302 A HA 0.228 4.548 4.320 -0.000 0.000 0.219 302 A C 1.779 179.333 177.584 -0.050 0.000 1.163 302 A CA 1.895 53.912 52.037 -0.033 0.000 0.646 302 A CB -0.230 18.649 19.000 -0.202 0.000 0.806 302 A HN 0.396 nan 8.150 nan 0.000 0.448 303 G N -3.131 105.591 108.800 -0.131 0.000 3.465 303 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.219 303 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.219 303 G C 0.717 175.491 174.900 -0.210 0.000 0.984 303 G CA 0.248 45.259 45.100 -0.147 0.000 0.864 303 G HN 0.234 nan 8.290 nan 0.000 0.485 304 F N 2.221 122.054 119.950 -0.194 0.000 2.250 304 F HA 0.237 4.763 4.527 -0.000 0.000 0.301 304 F C 2.486 178.180 175.800 -0.177 0.000 1.077 304 F CA 2.118 60.059 58.000 -0.098 0.000 1.348 304 F CB -0.373 38.617 39.000 -0.016 0.000 1.040 304 F HN 0.599 nan 8.300 nan 0.000 0.509 305 G N 1.207 109.849 108.800 -0.263 0.000 2.652 305 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.318 305 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.318 305 G C -1.428 173.350 174.900 -0.203 0.000 1.295 305 G CA 0.303 45.068 45.100 -0.558 0.000 0.999 305 G HN 0.232 nan 8.290 nan 0.000 0.548 306 P HA 0.091 nan 4.420 nan 0.000 0.239 306 P C 1.428 178.786 177.300 0.097 0.000 1.184 306 P CA 1.022 64.177 63.100 0.092 0.000 0.760 306 P CB 0.063 31.800 31.700 0.062 0.000 0.884 307 L N -0.824 120.467 121.223 0.114 0.000 2.616 307 L HA 0.193 4.533 4.340 -0.000 0.000 0.229 307 L C 1.905 178.895 176.870 0.199 0.000 1.110 307 L CA 1.026 55.956 54.840 0.151 0.000 0.884 307 L CB -1.030 41.130 42.059 0.168 0.000 1.115 307 L HN -0.210 nan 8.230 nan 0.000 0.481 308 T N -0.199 114.478 114.554 0.205 0.000 2.607 308 T HA -0.206 4.143 4.350 -0.000 0.000 0.267 308 T C 1.330 176.130 174.700 0.166 0.000 1.049 308 T CA 2.029 64.230 62.100 0.169 0.000 1.162 308 T CB -0.304 68.644 68.868 0.133 0.000 0.863 308 T HN 0.404 nan 8.240 nan 0.000 0.424 309 D N 1.089 121.544 120.400 0.092 0.000 2.182 309 D HA -0.032 4.608 4.640 -0.000 0.000 0.201 309 D C 2.177 178.545 176.300 0.113 0.000 0.986 309 D CA 0.738 54.780 54.000 0.070 0.000 0.847 309 D CB -0.275 40.539 40.800 0.024 0.000 0.942 309 D HN 0.331 nan 8.370 nan 0.000 0.467 310 L N 0.540 121.828 121.223 0.108 0.000 2.093 310 L HA -0.119 4.220 4.340 -0.000 0.000 0.208 310 L C 2.602 179.541 176.870 0.116 0.000 1.085 310 L CA 0.504 55.404 54.840 0.100 0.000 0.755 310 L CB -0.301 41.808 42.059 0.083 0.000 0.904 310 L HN -0.070 nan 8.230 nan 0.000 0.435 311 V N -0.448 119.535 119.914 0.115 0.000 2.261 311 V HA -0.293 3.827 4.120 -0.000 0.000 0.246 311 V C 2.251 178.325 176.094 -0.034 0.000 1.047 311 V CA 1.922 64.249 62.300 0.045 0.000 1.015 311 V CB -0.594 31.194 31.823 -0.057 0.000 0.642 311 V HN 0.211 nan 8.190 nan 0.000 0.446 312 F N 0.624 120.466 119.950 -0.180 0.000 2.269 312 F HA -0.078 4.449 4.527 -0.000 0.000 0.301 312 F C 2.330 177.968 175.800 -0.271 0.000 1.082 312 F CA 1.181 58.993 58.000 -0.314 0.000 1.360 312 F CB -0.755 38.099 39.000 -0.243 0.000 1.041 312 F HN 0.093 nan 8.300 nan 0.000 0.512 313 A N -0.859 121.992 122.820 0.053 0.000 1.968 313 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 313 A C 2.030 179.619 177.584 0.008 0.000 1.169 313 A CA 1.003 53.058 52.037 0.030 0.000 0.638 313 A CB -1.171 17.869 19.000 0.066 0.000 0.812 313 A HN 0.381 nan 8.150 nan 0.000 0.446 314 F N 0.991 120.883 119.950 -0.098 0.000 2.163 314 F HA 0.055 4.582 4.527 -0.000 0.000 0.297 314 F C 2.436 178.148 175.800 -0.146 0.000 1.094 314 F CA 0.901 58.843 58.000 -0.096 0.000 1.290 314 F CB -0.384 38.567 39.000 -0.081 0.000 1.017 314 F HN 0.239 nan 8.300 nan 0.000 0.483 315 A N 0.459 123.127 122.820 -0.253 0.000 1.877 315 A HA -0.064 4.255 4.320 -0.000 0.000 0.216 315 A C 2.513 179.891 177.584 -0.343 0.000 1.186 315 A CA 1.794 53.578 52.037 -0.422 0.000 0.620 315 A CB -1.815 16.697 19.000 -0.814 0.000 0.822 315 A HN 0.495 nan 8.150 nan 0.000 0.443 316 G N -1.067 107.548 108.800 -0.309 0.000 2.421 316 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.216 316 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.216 316 G C 1.304 176.154 174.900 -0.084 0.000 1.171 316 G CA 0.926 45.985 45.100 -0.068 0.000 0.775 316 G HN 0.482 nan 8.290 nan 0.000 0.543 317 Q N -0.281 119.424 119.800 -0.158 0.000 2.515 317 Q HA 0.134 4.474 4.340 -0.000 0.000 0.214 317 Q C 1.952 177.807 176.000 -0.241 0.000 0.971 317 Q CA 0.215 55.921 55.803 -0.162 0.000 0.952 317 Q CB 0.169 28.822 28.738 -0.140 0.000 0.999 317 Q HN 0.477 nan 8.270 nan 0.000 0.524 318 L N -0.810 120.236 121.223 -0.295 0.000 2.357 318 L HA 0.093 4.433 4.340 -0.000 0.000 0.211 318 L C 1.757 178.547 176.870 -0.133 0.000 1.075 318 L CA 0.877 55.539 54.840 -0.296 0.000 0.830 318 L CB -0.215 41.599 42.059 -0.407 0.000 0.996 318 L HN 0.076 nan 8.230 nan 0.000 0.467 319 L N 0.354 121.534 121.223 -0.072 0.000 2.021 319 L HA -0.207 4.133 4.340 -0.000 0.000 0.215 319 L C -0.196 176.661 176.870 -0.021 0.000 1.074 319 L CA 1.556 56.387 54.840 -0.016 0.000 0.760 319 L CB -2.162 39.914 42.059 0.028 0.000 0.889 319 L HN 0.227 nan 8.230 nan 0.000 0.433 320 P HA -0.189 nan 4.420 nan 0.000 0.217 320 P C 1.672 178.963 177.300 -0.014 0.000 1.148 320 P CA 1.220 64.309 63.100 -0.017 0.000 0.828 320 P CB 0.036 31.724 31.700 -0.020 0.000 0.783 321 L N -0.728 120.481 121.223 -0.024 0.000 2.141 321 L HA -0.083 4.256 4.340 -0.000 0.000 0.209 321 L C 0.858 177.729 176.870 0.002 0.000 1.094 321 L CA 1.207 56.041 54.840 -0.010 0.000 0.763 321 L CB -1.464 40.579 42.059 -0.026 0.000 0.908 321 L HN 0.066 nan 8.230 nan 0.000 0.437 322 E N -0.552 119.646 120.200 -0.003 0.000 2.360 322 E HA -0.266 4.084 4.350 -0.000 0.000 0.238 322 E C 0.014 176.628 176.600 0.024 0.000 1.186 322 E CA 0.057 56.462 56.400 0.008 0.000 0.719 322 E CB -1.640 28.065 29.700 0.008 0.000 1.236 322 E HN 0.452 nan 8.360 nan 0.000 0.386 323 M N 1.491 121.105 119.600 0.023 0.000 2.245 323 M HA 0.030 4.510 4.480 -0.000 0.000 0.344 323 M C 0.887 177.218 176.300 0.053 0.000 1.170 323 M CA 0.337 55.663 55.300 0.044 0.000 1.135 323 M CB 0.226 32.840 32.600 0.023 0.000 1.574 323 M HN 0.106 nan 8.290 nan 0.000 0.452 324 D N 1.159 121.612 120.400 0.087 0.000 2.506 324 D HA 0.147 4.787 4.640 -0.000 0.000 0.272 324 D C 0.180 176.510 176.300 0.050 0.000 1.214 324 D CA -0.512 53.541 54.000 0.088 0.000 1.067 324 D CB 0.369 41.251 40.800 0.137 0.000 1.117 324 D HN 0.450 nan 8.370 nan 0.000 0.578 325 D N -0.834 119.603 120.400 0.061 0.000 2.123 325 D HA -0.181 4.459 4.640 -0.000 0.000 0.196 325 D C 1.974 178.218 176.300 -0.093 0.000 0.992 325 D CA 2.629 56.655 54.000 0.043 0.000 0.833 325 D CB -0.766 40.121 40.800 0.144 0.000 0.954 325 D HN 0.680 nan 8.370 nan 0.000 0.455 326 T N -0.886 113.615 114.554 -0.088 0.000 2.867 326 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 326 T C 1.772 176.316 174.700 -0.259 0.000 1.057 326 T CA 1.236 63.193 62.100 -0.239 0.000 1.136 326 T CB -0.065 68.517 68.868 -0.477 0.000 0.874 326 T HN 0.108 nan 8.240 nan 0.000 0.466 327 E N 0.332 120.457 120.200 -0.125 0.000 2.072 327 E HA -0.031 4.319 4.350 -0.000 0.000 0.190 327 E C 2.457 179.005 176.600 -0.086 0.000 0.982 327 E CA 1.531 57.917 56.400 -0.024 0.000 0.803 327 E CB -0.189 29.583 29.700 0.119 0.000 0.755 327 E HN 0.490 nan 8.360 nan 0.000 0.453 328 T N -0.058 114.395 114.554 -0.168 0.000 2.821 328 T HA -0.107 4.242 4.350 -0.000 0.000 0.267 328 T C 1.847 176.284 174.700 -0.437 0.000 1.046 328 T CA 1.161 63.105 62.100 -0.259 0.000 1.139 328 T CB -0.447 68.258 68.868 -0.272 0.000 0.871 328 T HN 0.360 nan 8.240 nan 0.000 0.454 329 G N 1.150 109.565 108.800 -0.642 0.000 2.402 329 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.216 329 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.216 329 G C 1.490 176.371 174.900 -0.032 0.000 1.162 329 G CA 0.376 45.183 45.100 -0.489 0.000 0.777 329 G HN 0.424 nan 8.290 nan 0.000 0.539 330 L N -0.079 121.114 121.223 -0.050 0.000 2.093 330 L HA 0.067 4.407 4.340 -0.000 0.000 0.208 330 L C 2.760 179.659 176.870 0.048 0.000 1.085 330 L CA 0.340 55.196 54.840 0.027 0.000 0.755 330 L CB -0.282 41.779 42.059 0.003 0.000 0.904 330 L HN 0.148 nan 8.230 nan 0.000 0.435 331 L N -0.684 120.543 121.223 0.007 0.000 2.046 331 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 331 L C 2.608 179.487 176.870 0.015 0.000 1.077 331 L CA 1.656 56.504 54.840 0.013 0.000 0.747 331 L CB -0.238 41.814 42.059 -0.012 0.000 0.896 331 L HN 0.303 nan 8.230 nan 0.000 0.432 332 S N 0.028 115.719 115.700 -0.016 0.000 2.402 332 S HA -0.106 4.364 4.470 -0.000 0.000 0.229 332 S C 2.036 176.718 174.600 0.137 0.000 1.021 332 S CA 1.016 59.217 58.200 0.002 0.000 0.974 332 S CB -0.204 62.914 63.200 -0.137 0.000 0.800 332 S HN 0.580 nan 8.310 nan 0.000 0.484 333 A N 1.368 124.314 122.820 0.211 0.000 1.969 333 A HA 0.052 4.372 4.320 -0.000 0.000 0.218 333 A C 2.027 179.671 177.584 0.101 0.000 1.169 333 A CA 0.916 53.067 52.037 0.190 0.000 0.635 333 A CB -0.550 18.537 19.000 0.145 0.000 0.810 333 A HN 0.489 nan 8.150 nan 0.000 0.445 334 I N -0.902 119.719 120.570 0.085 0.000 2.286 334 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 334 I C 2.381 178.531 176.117 0.055 0.000 1.104 334 I CA 0.741 62.082 61.300 0.068 0.000 1.397 334 I CB -0.430 37.608 38.000 0.065 0.000 1.072 334 I HN 0.349 nan 8.210 nan 0.000 0.417 335 C N 0.425 119.754 119.300 0.048 0.000 2.429 335 C HA -0.163 4.297 4.460 -0.000 0.000 0.277 335 C C 2.752 177.772 174.990 0.050 0.000 1.262 335 C CA 0.620 59.659 59.018 0.035 0.000 1.733 335 C CB -0.902 26.849 27.740 0.019 0.000 2.010 335 C HN 0.486 nan 8.230 nan 0.000 0.483 336 L N 0.817 122.083 121.223 0.071 0.000 1.993 336 L HA 0.109 4.449 4.340 -0.000 0.000 0.206 336 L C 0.911 177.848 176.870 0.111 0.000 1.074 336 L CA 1.770 56.663 54.840 0.088 0.000 0.746 336 L CB -0.413 41.697 42.059 0.085 0.000 0.896 336 L HN 0.133 nan 8.230 nan 0.000 0.435 337 I N 1.422 122.059 120.570 0.112 0.000 2.455 337 I HA 0.002 4.172 4.170 -0.000 0.000 0.303 337 I C -0.313 175.850 176.117 0.077 0.000 1.180 337 I CA 0.262 61.633 61.300 0.118 0.000 1.469 337 I CB -1.457 36.610 38.000 0.112 0.000 1.480 337 I HN 0.231 nan 8.210 nan 0.000 0.669 338 C N 4.602 123.943 119.300 0.068 0.000 2.383 338 C HA 0.606 5.065 4.460 -0.000 0.000 0.330 338 C C 1.599 176.609 174.990 0.034 0.000 1.168 338 C CA -0.528 58.517 59.018 0.045 0.000 1.374 338 C CB 0.516 28.279 27.740 0.038 0.000 2.014 338 C HN 0.923 nan 8.230 nan 0.000 0.439 339 G N 3.395 112.211 108.800 0.026 0.000 2.625 339 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.214 339 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.214 339 G C 1.119 176.027 174.900 0.012 0.000 1.132 339 G CA 1.099 46.209 45.100 0.017 0.000 0.782 339 G HN 0.945 nan 8.290 nan 0.000 0.538 340 D N 0.074 120.482 120.400 0.014 0.000 2.328 340 D HA -0.003 4.637 4.640 -0.000 0.000 0.226 340 D C 0.654 176.960 176.300 0.009 0.000 1.066 340 D CA -0.307 53.699 54.000 0.009 0.000 0.861 340 D CB 0.070 40.875 40.800 0.008 0.000 0.912 340 D HN -0.033 nan 8.370 nan 0.000 0.521 341 R N 0.266 120.773 120.500 0.012 0.000 2.738 341 R HA 0.187 4.527 4.340 -0.000 0.000 0.268 341 R C 1.431 177.735 176.300 0.006 0.000 1.062 341 R CA -0.247 55.860 56.100 0.012 0.000 1.158 341 R CB 0.437 30.748 30.300 0.018 0.000 1.046 341 R HN 0.160 nan 8.270 nan 0.000 0.493 342 M N 0.656 120.260 119.600 0.005 0.000 2.123 342 M HA -0.114 4.366 4.480 -0.000 0.000 0.263 342 M C 0.146 176.446 176.300 0.000 0.000 1.069 342 M CA 1.645 56.946 55.300 0.002 0.000 1.133 342 M CB 0.100 32.701 32.600 0.002 0.000 1.356 342 M HN 0.360 nan 8.290 nan 0.000 0.415 343 D N 0.815 121.215 120.400 0.000 0.000 2.370 343 D HA 0.208 4.847 4.640 -0.000 0.000 0.230 343 D C -0.161 176.135 176.300 -0.008 0.000 1.143 343 D CA 0.160 54.158 54.000 -0.003 0.000 0.834 343 D CB -0.232 40.566 40.800 -0.003 0.000 0.944 343 D HN 0.276 nan 8.370 nan 0.000 0.504 344 L N 0.971 122.190 121.223 -0.007 0.000 2.455 344 L HA 0.039 4.378 4.340 -0.000 0.000 0.272 344 L C 1.616 178.476 176.870 -0.016 0.000 1.174 344 L CA 0.206 55.038 54.840 -0.013 0.000 0.869 344 L CB 0.946 42.999 42.059 -0.009 0.000 1.130 344 L HN -0.081 nan 8.230 nan 0.000 0.474 345 E N 1.681 121.867 120.200 -0.024 0.000 2.190 345 E HA -0.038 4.312 4.350 -0.000 0.000 0.191 345 E C -0.175 176.411 176.600 -0.023 0.000 0.978 345 E CA 0.749 57.135 56.400 -0.023 0.000 0.839 345 E CB 0.351 30.033 29.700 -0.029 0.000 0.787 345 E HN 0.608 nan 8.360 nan 0.000 0.473 346 E N 0.573 120.757 120.200 -0.027 0.000 3.386 346 E HA 0.079 4.429 4.350 -0.000 0.000 0.236 346 E C -2.166 174.422 176.600 -0.021 0.000 1.227 346 E CA -1.183 55.203 56.400 -0.024 0.000 0.970 346 E CB 1.267 30.948 29.700 -0.031 0.000 1.343 346 E HN 0.050 nan 8.360 nan 0.000 0.397 347 P HA -0.246 nan 4.420 nan 0.000 0.220 347 P C 1.230 178.528 177.300 -0.004 0.000 1.148 347 P CA 1.265 64.361 63.100 -0.007 0.000 0.803 347 P CB 0.423 32.120 31.700 -0.004 0.000 0.782 348 E N 1.654 121.851 120.200 -0.005 0.000 2.152 348 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 348 E C 1.950 178.548 176.600 -0.003 0.000 0.983 348 E CA 1.209 57.608 56.400 -0.003 0.000 0.818 348 E CB -0.695 29.003 29.700 -0.003 0.000 0.758 348 E HN 0.200 nan 8.360 nan 0.000 0.467 349 K N 0.834 121.228 120.400 -0.010 0.000 2.155 349 K HA -0.020 4.300 4.320 -0.000 0.000 0.203 349 K C 2.146 178.741 176.600 -0.008 0.000 1.052 349 K CA 1.031 57.311 56.287 -0.013 0.000 0.948 349 K CB 0.133 32.618 32.500 -0.025 0.000 0.728 349 K HN 0.014 nan 8.250 nan 0.000 0.448 350 V N 1.520 121.430 119.914 -0.007 0.000 2.453 350 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 350 V C 1.535 177.640 176.094 0.019 0.000 1.048 350 V CA 1.838 64.142 62.300 0.006 0.000 1.049 350 V CB -0.433 31.394 31.823 0.006 0.000 0.672 350 V HN 0.347 nan 8.190 nan 0.000 0.457 351 D N 0.160 120.569 120.400 0.015 0.000 2.117 351 D HA -0.123 4.516 4.640 -0.000 0.000 0.197 351 D C 2.246 178.559 176.300 0.021 0.000 0.987 351 D CA 0.986 54.998 54.000 0.020 0.000 0.829 351 D CB -0.189 40.620 40.800 0.015 0.000 0.961 351 D HN 0.283 nan 8.370 nan 0.000 0.460 352 K N 0.472 120.881 120.400 0.015 0.000 2.148 352 K HA -0.012 4.308 4.320 -0.000 0.000 0.204 352 K C 2.327 178.937 176.600 0.018 0.000 1.050 352 K CA 0.124 56.419 56.287 0.014 0.000 0.942 352 K CB -0.383 32.122 32.500 0.008 0.000 0.724 352 K HN 0.262 nan 8.250 nan 0.000 0.446 353 L N 0.841 122.076 121.223 0.020 0.000 2.056 353 L HA -0.177 4.163 4.340 -0.000 0.000 0.207 353 L C 2.792 179.684 176.870 0.036 0.000 1.078 353 L CA 1.191 56.047 54.840 0.027 0.000 0.749 353 L CB -0.252 41.828 42.059 0.035 0.000 0.901 353 L HN 0.307 nan 8.230 nan 0.000 0.433 354 Q N 0.021 119.846 119.800 0.041 0.000 2.119 354 Q HA -0.238 4.102 4.340 -0.000 0.000 0.201 354 Q C 1.869 177.899 176.000 0.049 0.000 0.972 354 Q CA 1.377 57.209 55.803 0.049 0.000 0.847 354 Q CB 0.118 28.887 28.738 0.051 0.000 0.903 354 Q HN 0.491 nan 8.270 nan 0.000 0.433 355 E N 0.031 120.256 120.200 0.041 0.000 2.068 355 E HA -0.239 4.111 4.350 -0.000 0.000 0.207 355 E C -0.814 175.809 176.600 0.038 0.000 1.032 355 E CA 2.122 58.546 56.400 0.040 0.000 0.839 355 E CB -0.752 28.965 29.700 0.028 0.000 0.758 355 E HN 0.440 nan 8.360 nan 0.000 0.457 356 P HA -0.162 nan 4.420 nan 0.000 0.216 356 P C 1.233 178.548 177.300 0.026 0.000 1.150 356 P CA 1.138 64.249 63.100 0.019 0.000 0.837 356 P CB -0.011 31.698 31.700 0.014 0.000 0.786 357 L N -1.627 119.619 121.223 0.039 0.000 2.083 357 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 357 L C 2.417 179.337 176.870 0.085 0.000 1.083 357 L CA 1.326 56.197 54.840 0.052 0.000 0.752 357 L CB -0.931 41.163 42.059 0.059 0.000 0.899 357 L HN -0.005 nan 8.230 nan 0.000 0.433 358 L N -0.804 120.481 121.223 0.104 0.000 2.056 358 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 358 L C 2.697 179.594 176.870 0.044 0.000 1.078 358 L CA 1.072 56.021 54.840 0.181 0.000 0.749 358 L CB -0.510 41.667 42.059 0.197 0.000 0.901 358 L HN 0.293 nan 8.230 nan 0.000 0.433 359 E N 0.431 120.628 120.200 -0.004 0.000 2.051 359 E HA -0.238 4.112 4.350 -0.000 0.000 0.192 359 E C 2.297 178.844 176.600 -0.088 0.000 0.991 359 E CA 1.365 57.721 56.400 -0.073 0.000 0.799 359 E CB -0.159 29.521 29.700 -0.033 0.000 0.748 359 E HN 0.478 nan 8.360 nan 0.000 0.449 360 A N 1.588 124.395 122.820 -0.023 0.000 1.892 360 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 360 A C 2.233 179.829 177.584 0.020 0.000 1.188 360 A CA 1.445 53.483 52.037 0.001 0.000 0.631 360 A CB -0.689 18.317 19.000 0.010 0.000 0.822 360 A HN 0.214 nan 8.150 nan 0.000 0.447 361 L N -0.505 120.743 121.223 0.042 0.000 2.046 361 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 361 L C 2.469 179.312 176.870 -0.045 0.000 1.077 361 L CA 2.276 57.197 54.840 0.135 0.000 0.747 361 L CB -0.605 41.674 42.059 0.367 0.000 0.896 361 L HN 0.461 nan 8.230 nan 0.000 0.432 362 R N -1.095 119.034 120.500 -0.619 0.000 2.066 362 R HA -0.159 4.181 4.340 -0.000 0.000 0.232 362 R C 2.291 178.403 176.300 -0.312 0.000 1.131 362 R CA 1.664 57.202 56.100 -0.937 0.000 0.955 362 R CB -0.460 29.011 30.300 -1.382 0.000 0.851 362 R HN 0.371 nan 8.270 nan 0.000 0.432 363 L N 0.176 121.281 121.223 -0.196 0.000 1.990 363 L HA -0.238 4.102 4.340 -0.000 0.000 0.213 363 L C 2.062 178.928 176.870 -0.006 0.000 1.072 363 L CA 1.907 56.701 54.840 -0.076 0.000 0.755 363 L CB -0.882 41.157 42.059 -0.034 0.000 0.889 363 L HN 0.226 nan 8.230 nan 0.000 0.432 364 Y N 0.042 120.305 120.300 -0.061 0.000 2.114 364 Y HA -0.189 4.361 4.550 -0.000 0.000 0.284 364 Y C 2.424 178.322 175.900 -0.004 0.000 1.143 364 Y CA 1.989 60.077 58.100 -0.021 0.000 1.135 364 Y CB -0.685 37.774 38.460 -0.002 0.000 0.980 364 Y HN 0.271 nan 8.280 nan 0.000 0.499 365 A N 0.519 123.396 122.820 0.094 0.000 1.940 365 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 365 A C 2.291 179.855 177.584 -0.033 0.000 1.176 365 A CA 2.002 54.072 52.037 0.054 0.000 0.631 365 A CB -0.612 18.506 19.000 0.197 0.000 0.814 365 A HN 0.558 nan 8.150 nan 0.000 0.446 366 R N -1.292 119.183 120.500 -0.041 0.000 2.073 366 R HA -0.048 4.292 4.340 -0.000 0.000 0.229 366 R C 2.533 178.786 176.300 -0.079 0.000 1.120 366 R CA 1.335 57.410 56.100 -0.041 0.000 0.967 366 R CB -0.273 30.002 30.300 -0.042 0.000 0.862 366 R HN 0.598 nan 8.270 nan 0.000 0.436 367 R N 1.114 121.542 120.500 -0.119 0.000 2.070 367 R HA -0.136 4.204 4.340 -0.000 0.000 0.233 367 R C 2.299 178.495 176.300 -0.172 0.000 1.137 367 R CA 1.657 57.676 56.100 -0.134 0.000 0.945 367 R CB -0.160 30.055 30.300 -0.142 0.000 0.845 367 R HN 0.025 nan 8.270 nan 0.000 0.430 368 R N 0.112 120.439 120.500 -0.288 0.000 2.189 368 R HA -0.018 4.321 4.340 -0.000 0.000 0.223 368 R C 0.010 176.226 176.300 -0.140 0.000 1.092 368 R CA 1.056 56.995 56.100 -0.269 0.000 0.989 368 R CB 0.247 30.273 30.300 -0.455 0.000 0.876 368 R HN 0.124 nan 8.270 nan 0.000 0.457 369 R N -0.775 119.663 120.500 -0.104 0.000 2.984 369 R HA 0.189 4.528 4.340 -0.000 0.000 0.252 369 R C -2.407 173.875 176.300 -0.031 0.000 1.842 369 R CA -1.399 54.670 56.100 -0.052 0.000 1.389 369 R CB 1.735 32.017 30.300 -0.030 0.000 1.454 369 R HN 0.076 nan 8.270 nan 0.000 0.578 370 P HA -0.093 nan 4.420 nan 0.000 0.217 370 P C 0.871 178.164 177.300 -0.011 0.000 1.150 370 P CA 1.199 64.287 63.100 -0.020 0.000 0.832 370 P CB 0.392 32.077 31.700 -0.025 0.000 0.787 371 S N -0.746 114.944 115.700 -0.017 0.000 2.547 371 S HA -0.071 4.399 4.470 -0.000 0.000 0.235 371 S C 0.781 175.367 174.600 -0.023 0.000 0.980 371 S CA 0.845 59.032 58.200 -0.022 0.000 0.941 371 S CB -0.578 62.608 63.200 -0.025 0.000 0.763 371 S HN 0.319 nan 8.310 nan 0.000 0.532 372 Q N 0.165 119.963 119.800 -0.004 0.000 2.849 372 Q HA 0.238 4.578 4.340 -0.000 0.000 0.289 372 Q C -2.455 173.586 176.000 0.070 0.000 1.012 372 Q CA -1.652 54.158 55.803 0.013 0.000 0.899 372 Q CB 0.814 29.565 28.738 0.022 0.000 1.235 372 Q HN 0.192 nan 8.270 nan 0.000 0.457 373 P HA -0.155 nan 4.420 nan 0.000 0.219 373 P C 0.454 177.969 177.300 0.359 0.000 1.146 373 P CA 1.175 64.385 63.100 0.184 0.000 0.808 373 P CB 0.110 31.912 31.700 0.169 0.000 0.779 374 Y N -2.063 118.263 120.300 0.044 0.000 2.529 374 Y HA 0.099 4.649 4.550 -0.000 0.000 0.290 374 Y C 2.071 178.000 175.900 0.047 0.000 1.177 374 Y CA -0.171 57.955 58.100 0.044 0.000 1.305 374 Y CB -0.858 37.615 38.460 0.021 0.000 1.047 374 Y HN -0.038 nan 8.280 nan 0.000 0.522 375 M N -1.582 118.143 119.600 0.208 0.000 2.132 375 M HA -0.198 4.282 4.480 -0.000 0.000 0.263 375 M C 2.084 178.473 176.300 0.148 0.000 1.065 375 M CA 1.187 56.573 55.300 0.144 0.000 1.122 375 M CB -1.457 31.215 32.600 0.120 0.000 1.365 375 M HN 0.300 nan 8.290 nan 0.000 0.411 376 F N 2.707 122.685 119.950 0.047 0.000 2.046 376 F HA -0.132 4.395 4.527 -0.000 0.000 0.297 376 F C -0.656 175.148 175.800 0.008 0.000 1.123 376 F CA 1.729 59.747 58.000 0.030 0.000 1.199 376 F CB -1.938 37.080 39.000 0.029 0.000 0.972 376 F HN 0.101 nan 8.300 nan 0.000 0.474 377 P HA -0.164 nan 4.420 nan 0.000 0.218 377 P C 1.391 178.567 177.300 -0.207 0.000 1.149 377 P CA 1.621 64.550 63.100 -0.284 0.000 0.817 377 P CB -0.258 31.316 31.700 -0.211 0.000 0.785 378 R N -0.554 119.884 120.500 -0.104 0.000 2.073 378 R HA 0.006 4.346 4.340 -0.000 0.000 0.234 378 R C 2.681 178.931 176.300 -0.082 0.000 1.134 378 R CA 1.546 57.610 56.100 -0.060 0.000 0.952 378 R CB -0.717 29.586 30.300 0.004 0.000 0.850 378 R HN 0.238 nan 8.270 nan 0.000 0.433 379 M N 0.518 120.062 119.600 -0.093 0.000 2.117 379 M HA -0.173 4.306 4.480 -0.000 0.000 0.262 379 M C 2.277 178.493 176.300 -0.139 0.000 1.065 379 M CA 1.580 56.828 55.300 -0.087 0.000 1.114 379 M CB -0.253 32.321 32.600 -0.044 0.000 1.361 379 M HN 0.153 nan 8.290 nan 0.000 0.408 380 L N -0.459 120.597 121.223 -0.278 0.000 2.046 380 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 380 L C 2.499 179.283 176.870 -0.143 0.000 1.077 380 L CA 1.204 55.881 54.840 -0.273 0.000 0.747 380 L CB -0.466 41.323 42.059 -0.450 0.000 0.896 380 L HN 0.411 nan 8.230 nan 0.000 0.432 381 M N -0.862 118.665 119.600 -0.123 0.000 2.374 381 M HA -0.144 4.336 4.480 -0.000 0.000 0.264 381 M C 2.043 178.339 176.300 -0.007 0.000 1.067 381 M CA 1.129 56.392 55.300 -0.062 0.000 1.103 381 M CB -0.223 32.342 32.600 -0.058 0.000 1.402 381 M HN 0.109 nan 8.290 nan 0.000 0.444 382 K N 0.823 121.226 120.400 0.005 0.000 2.147 382 K HA -0.050 4.270 4.320 -0.000 0.000 0.205 382 K C 1.727 178.395 176.600 0.114 0.000 1.049 382 K CA 1.217 57.564 56.287 0.099 0.000 0.936 382 K CB -0.455 32.095 32.500 0.084 0.000 0.722 382 K HN 0.431 nan 8.250 nan 0.000 0.446 383 I N 1.073 121.664 120.570 0.035 0.000 2.194 383 I HA -0.300 3.870 4.170 -0.000 0.000 0.246 383 I C 2.048 178.166 176.117 0.002 0.000 1.093 383 I CA 1.490 62.798 61.300 0.014 0.000 1.355 383 I CB -0.611 37.382 38.000 -0.013 0.000 1.046 383 I HN 0.138 nan 8.210 nan 0.000 0.413 384 T N -0.148 114.407 114.554 0.002 0.000 2.821 384 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 384 T C 1.437 176.136 174.700 -0.002 0.000 1.046 384 T CA 1.337 63.434 62.100 -0.004 0.000 1.139 384 T CB -0.260 68.605 68.868 -0.006 0.000 0.871 384 T HN 0.317 nan 8.240 nan 0.000 0.454 385 D N 1.069 121.491 120.400 0.038 0.000 2.097 385 D HA -0.010 4.630 4.640 -0.000 0.000 0.197 385 D C 2.047 178.274 176.300 -0.121 0.000 0.984 385 D CA 0.454 54.485 54.000 0.052 0.000 0.826 385 D CB -0.566 40.389 40.800 0.258 0.000 0.973 385 D HN 0.139 nan 8.370 nan 0.000 0.460 386 L N 1.379 122.497 121.223 -0.175 0.000 2.012 386 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 386 L C 2.247 178.976 176.870 -0.235 0.000 1.073 386 L CA 1.688 56.294 54.840 -0.391 0.000 0.748 386 L CB -0.514 41.440 42.059 -0.174 0.000 0.891 386 L HN -0.079 nan 8.230 nan 0.000 0.431 387 R N -0.772 119.657 120.500 -0.119 0.000 2.127 387 R HA -0.137 4.203 4.340 -0.000 0.000 0.238 387 R C 2.028 178.282 176.300 -0.077 0.000 1.134 387 R CA 1.372 57.426 56.100 -0.077 0.000 0.975 387 R CB -0.609 29.666 30.300 -0.043 0.000 0.865 387 R HN 0.554 nan 8.270 nan 0.000 0.447 388 G N 0.874 109.623 108.800 -0.085 0.000 2.394 388 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.215 388 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.215 388 G C 1.334 176.186 174.900 -0.080 0.000 1.165 388 G CA 0.418 45.480 45.100 -0.064 0.000 0.784 388 G HN 0.327 nan 8.290 nan 0.000 0.535 389 I N 0.975 121.455 120.570 -0.151 0.000 2.546 389 I HA -0.024 4.146 4.170 -0.000 0.000 0.255 389 I C 2.703 178.763 176.117 -0.095 0.000 1.163 389 I CA 1.008 62.220 61.300 -0.146 0.000 1.457 389 I CB 0.124 37.941 38.000 -0.304 0.000 1.092 389 I HN 0.066 nan 8.210 nan 0.000 0.434 390 S N -0.379 115.258 115.700 -0.106 0.000 2.371 390 S HA -0.173 4.297 4.470 -0.000 0.000 0.224 390 S C 2.046 176.627 174.600 -0.031 0.000 1.029 390 S CA 1.676 59.841 58.200 -0.058 0.000 0.978 390 S CB -0.755 62.408 63.200 -0.062 0.000 0.833 390 S HN 0.711 nan 8.310 nan 0.000 0.466 391 T N 1.140 115.675 114.554 -0.033 0.000 2.746 391 T HA -0.055 4.295 4.350 -0.000 0.000 0.267 391 T C 1.657 176.350 174.700 -0.012 0.000 1.039 391 T CA 1.145 63.234 62.100 -0.019 0.000 1.142 391 T CB -0.379 68.478 68.868 -0.018 0.000 0.866 391 T HN 0.258 nan 8.240 nan 0.000 0.444 392 K N 0.974 121.367 120.400 -0.012 0.000 2.063 392 K HA 0.011 4.331 4.320 -0.000 0.000 0.208 392 K C 2.685 179.290 176.600 0.009 0.000 1.048 392 K CA 1.258 57.546 56.287 0.001 0.000 0.928 392 K CB -0.726 31.778 32.500 0.007 0.000 0.713 392 K HN 0.536 nan 8.250 nan 0.000 0.442 393 G N 0.765 109.572 108.800 0.012 0.000 2.422 393 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.218 393 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.218 393 G C 1.555 176.455 174.900 0.001 0.000 1.146 393 G CA 0.944 46.056 45.100 0.020 0.000 0.769 393 G HN 0.365 nan 8.290 nan 0.000 0.547 394 A N 0.919 123.738 122.820 -0.002 0.000 1.898 394 A HA 0.012 4.332 4.320 -0.000 0.000 0.216 394 A C 2.157 179.736 177.584 -0.009 0.000 1.181 394 A CA 1.803 53.838 52.037 -0.004 0.000 0.620 394 A CB -0.332 18.666 19.000 -0.004 0.000 0.819 394 A HN 0.455 nan 8.150 nan 0.000 0.442 395 E N -0.837 119.358 120.200 -0.008 0.000 2.106 395 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 395 E C 2.227 178.816 176.600 -0.019 0.000 0.984 395 E CA 1.150 57.543 56.400 -0.011 0.000 0.806 395 E CB -0.142 29.553 29.700 -0.007 0.000 0.750 395 E HN 0.464 nan 8.360 nan 0.000 0.458 396 R N 1.548 122.038 120.500 -0.017 0.000 2.096 396 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 396 R C 1.945 178.213 176.300 -0.054 0.000 1.127 396 R CA 1.618 57.699 56.100 -0.032 0.000 0.968 396 R CB -0.691 29.597 30.300 -0.021 0.000 0.861 396 R HN 0.136 nan 8.270 nan 0.000 0.440 397 A N 0.949 123.745 122.820 -0.040 0.000 1.972 397 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 397 A C 2.047 179.598 177.584 -0.056 0.000 1.169 397 A CA 1.404 53.414 52.037 -0.044 0.000 0.635 397 A CB -0.483 18.512 19.000 -0.008 0.000 0.810 397 A HN 0.297 nan 8.150 nan 0.000 0.446 398 I N 0.389 120.934 120.570 -0.042 0.000 2.099 398 I HA -0.232 3.938 4.170 -0.000 0.000 0.239 398 I C 2.585 178.666 176.117 -0.059 0.000 1.066 398 I CA 2.298 63.573 61.300 -0.041 0.000 1.324 398 I CB -2.052 35.931 38.000 -0.029 0.000 1.037 398 I HN 0.304 nan 8.210 nan 0.000 0.401 399 T N 1.820 116.336 114.554 -0.062 0.000 2.684 399 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 399 T C 2.183 176.813 174.700 -0.115 0.000 1.036 399 T CA 1.083 63.138 62.100 -0.075 0.000 1.148 399 T CB -0.625 68.203 68.868 -0.067 0.000 0.863 399 T HN 0.239 nan 8.240 nan 0.000 0.436 400 L N 0.686 121.820 121.223 -0.149 0.000 2.043 400 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 400 L C 2.625 179.336 176.870 -0.265 0.000 1.075 400 L CA 1.692 56.384 54.840 -0.247 0.000 0.752 400 L CB -0.370 41.513 42.059 -0.294 0.000 0.891 400 L HN 0.322 nan 8.230 nan 0.000 0.432 401 K N -0.913 119.380 120.400 -0.177 0.000 2.160 401 K HA -0.242 4.078 4.320 -0.000 0.000 0.206 401 K C 1.872 178.399 176.600 -0.121 0.000 1.047 401 K CA 1.599 57.805 56.287 -0.135 0.000 0.930 401 K CB -0.164 32.292 32.500 -0.073 0.000 0.720 401 K HN 0.235 nan 8.250 nan 0.000 0.450 402 M N 0.634 120.167 119.600 -0.110 0.000 2.419 402 M HA -0.068 4.412 4.480 -0.000 0.000 0.264 402 M C 1.377 177.613 176.300 -0.105 0.000 1.082 402 M CA 1.400 56.648 55.300 -0.088 0.000 1.119 402 M CB 0.241 32.800 32.600 -0.068 0.000 1.398 402 M HN 0.087 nan 8.290 nan 0.000 0.453 403 E N 0.384 120.492 120.200 -0.152 0.000 2.170 403 E HA 0.046 4.396 4.350 -0.000 0.000 0.191 403 E C 0.554 177.043 176.600 -0.185 0.000 0.981 403 E CA 0.291 56.594 56.400 -0.161 0.000 0.830 403 E CB -0.158 29.427 29.700 -0.193 0.000 0.775 403 E HN 0.519 nan 8.360 nan 0.000 0.470 404 I N 0.181 120.600 120.570 -0.251 0.000 2.575 404 I HA 0.150 4.320 4.170 -0.000 0.000 0.285 404 I C -1.900 174.159 176.117 -0.097 0.000 1.085 404 I CA -1.903 59.257 61.300 -0.234 0.000 1.403 404 I CB 0.485 38.274 38.000 -0.353 0.000 1.409 404 I HN -0.226 nan 8.210 nan 0.000 0.557 405 P HA 0.279 nan 4.420 nan 0.000 0.249 405 P C 0.144 177.453 177.300 0.014 0.000 1.593 405 P CA 0.170 63.265 63.100 -0.008 0.000 0.896 405 P CB 0.035 31.740 31.700 0.008 0.000 1.581 406 G N 0.179 108.989 108.800 0.016 0.000 2.430 406 G HA2 0.438 4.398 3.960 -0.000 0.000 0.300 406 G HA3 0.438 4.398 3.960 -0.000 0.000 0.300 406 G C -3.545 171.382 174.900 0.046 0.000 1.330 406 G CA -0.832 44.292 45.100 0.039 0.000 0.813 406 G HN -0.187 nan 8.290 nan 0.000 0.487 407 P HA 0.499 nan 4.420 nan 0.000 0.279 407 P C -0.025 177.349 177.300 0.123 0.000 1.252 407 P CA -0.518 62.620 63.100 0.063 0.000 0.811 407 P CB 0.793 32.520 31.700 0.045 0.000 1.035 408 M N 2.015 121.698 119.600 0.137 0.000 2.241 408 M HA 0.252 4.732 4.480 -0.000 0.000 0.335 408 M C -2.017 174.357 176.300 0.123 0.000 1.122 408 M CA -1.624 53.814 55.300 0.229 0.000 1.164 408 M CB 0.051 32.787 32.600 0.226 0.000 1.459 408 M HN 0.185 nan 8.290 nan 0.000 0.461 409 P HA -0.077 nan 4.420 nan 0.000 0.264 409 P C -1.958 175.347 177.300 0.008 0.000 1.179 409 P CA -0.553 62.549 63.100 0.004 0.000 0.763 409 P CB -0.080 31.576 31.700 -0.074 0.000 0.806 410 P HA -0.170 nan 4.420 nan 0.000 0.216 410 P C 1.380 178.679 177.300 -0.002 0.000 1.153 410 P CA 1.608 64.710 63.100 0.003 0.000 0.858 410 P CB 0.019 31.720 31.700 0.001 0.000 0.789 411 L N -1.218 119.996 121.223 -0.015 0.000 2.141 411 L HA -0.081 4.259 4.340 -0.000 0.000 0.209 411 L C 2.782 179.641 176.870 -0.017 0.000 1.094 411 L CA 0.963 55.794 54.840 -0.016 0.000 0.763 411 L CB -0.511 41.532 42.059 -0.027 0.000 0.908 411 L HN -0.141 nan 8.230 nan 0.000 0.437 412 I N -0.785 119.771 120.570 -0.023 0.000 2.286 412 I HA -0.253 3.916 4.170 -0.000 0.000 0.245 412 I C 2.588 178.712 176.117 0.012 0.000 1.104 412 I CA 1.048 62.340 61.300 -0.014 0.000 1.397 412 I CB -0.198 37.793 38.000 -0.015 0.000 1.072 412 I HN 0.184 nan 8.210 nan 0.000 0.417 413 R N 0.386 120.897 120.500 0.020 0.000 2.096 413 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 413 R C 2.197 178.506 176.300 0.014 0.000 1.127 413 R CA 0.940 57.053 56.100 0.022 0.000 0.968 413 R CB -0.235 30.079 30.300 0.024 0.000 0.861 413 R HN 0.284 nan 8.270 nan 0.000 0.440 414 E N 0.755 120.962 120.200 0.010 0.000 2.097 414 E HA -0.251 4.099 4.350 -0.000 0.000 0.196 414 E C 1.855 178.462 176.600 0.012 0.000 1.000 414 E CA 1.339 57.745 56.400 0.010 0.000 0.804 414 E CB -0.147 29.559 29.700 0.010 0.000 0.740 414 E HN 0.333 nan 8.360 nan 0.000 0.454 415 M N 0.032 119.638 119.600 0.009 0.000 2.132 415 M HA -0.122 4.358 4.480 -0.000 0.000 0.263 415 M C 2.134 178.440 176.300 0.010 0.000 1.065 415 M CA 1.173 56.478 55.300 0.009 0.000 1.122 415 M CB 0.022 32.623 32.600 0.002 0.000 1.365 415 M HN 0.042 nan 8.290 nan 0.000 0.411 416 L N -0.299 120.931 121.223 0.011 0.000 2.201 416 L HA -0.095 4.245 4.340 -0.000 0.000 0.212 416 L C 1.312 178.187 176.870 0.008 0.000 1.105 416 L CA 0.622 55.468 54.840 0.011 0.000 0.775 416 L CB -0.572 41.496 42.059 0.015 0.000 0.913 416 L HN 0.342 nan 8.230 nan 0.000 0.440 417 E N 1.834 122.039 120.200 0.009 0.000 1.852 417 E HA 0.029 4.379 4.350 -0.000 0.000 0.276 417 E C -0.266 176.339 176.600 0.008 0.000 1.163 417 E CA -0.169 56.236 56.400 0.007 0.000 1.117 417 E CB -0.051 29.654 29.700 0.008 0.000 1.124 417 E HN 0.342 nan 8.360 nan 0.000 0.458 418 N N 0.000 118.704 118.700 0.007 0.000 1.763 418 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 418 N CA 0.000 53.055 53.050 0.008 0.000 0.885 418 N CB 0.000 38.492 38.487 0.009 0.000 1.341 418 N HN 0.000 nan 8.380 nan 0.000 0.667