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 3b2z_1_F DATA FIRST_RESID 215 DATA SEQUENCE SLSRFVETLV VADDKMAAFH GAGLKRYLLT VMAAAAKAFK HPSIRNPVSL DATA SEQUENCE VVTRLVILGS GEEGPQVGPS AAQTLRSFcA WQRGLNTPED SDPDHFDTAI DATA SEQUENCE LFTRQDLcGV STcDTLGMAD VGTVcDPARS cAIVEDDGLQ SAFTAAHQLG DATA SEQUENCE HVFNMLHDNS KPcISLNGPL STSRHVMAPV MAHVDPEEPW SPcSARFITD DATA SEQUENCE FLDNGYGHcL LDKPEAPLHL PVTFPGKDYD ADRQcQLTFG PDSRHcPQLP DATA SEQUENCE PPcAALWcSG HLNGHAMcQT KHSPWADGTP cGPAQAcMGG RcL 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 215 S HA 0.000 nan 4.470 nan 0.000 0.327 215 S C 0.000 174.598 174.600 -0.003 0.000 1.055 215 S CA 0.000 58.198 58.200 -0.004 0.000 1.107 215 S CB 0.000 63.193 63.200 -0.012 0.000 0.593 216 L N 3.450 124.675 121.223 0.004 0.000 2.456 216 L HA 0.663 5.003 4.340 -0.000 0.000 0.272 216 L C 0.783 177.650 176.870 -0.004 0.000 1.189 216 L CA -0.209 54.640 54.840 0.015 0.000 0.846 216 L CB -0.271 41.806 42.059 0.030 0.000 1.111 216 L HN 0.607 nan 8.230 nan 0.000 0.475 217 S N 2.241 117.940 115.700 -0.001 0.000 2.586 217 S HA 0.697 5.167 4.470 -0.000 0.000 0.274 217 S C -0.075 174.448 174.600 -0.128 0.000 1.281 217 S CA -0.996 57.143 58.200 -0.102 0.000 1.035 217 S CB 1.173 64.293 63.200 -0.133 0.000 0.962 217 S HN 0.584 nan 8.310 nan 0.000 0.512 218 R N 1.500 121.834 120.500 -0.277 0.000 2.393 218 R HA 0.411 4.751 4.340 -0.000 0.000 0.315 218 R C -1.686 174.419 176.300 -0.325 0.000 0.952 218 R CA -0.307 55.703 56.100 -0.151 0.000 0.842 218 R CB 0.701 30.978 30.300 -0.037 0.000 1.163 218 R HN 0.693 nan 8.270 nan 0.000 0.450 219 F N 1.704 121.686 119.950 0.053 0.000 2.347 219 F HA 0.255 4.782 4.527 -0.000 0.000 0.366 219 F C 0.585 176.421 175.800 0.061 0.000 1.107 219 F CA -0.957 57.072 58.000 0.047 0.000 1.058 219 F CB 1.625 40.645 39.000 0.032 0.000 1.236 219 F HN 0.053 nan 8.300 nan 0.000 0.456 220 V N 3.604 123.628 119.914 0.184 0.000 2.338 220 V HA 0.077 4.197 4.120 -0.000 0.000 0.255 220 V C 0.198 176.373 176.094 0.135 0.000 1.082 220 V CA -0.631 61.754 62.300 0.142 0.000 0.951 220 V CB -0.302 31.579 31.823 0.096 0.000 1.102 220 V HN 0.653 nan 8.190 nan 0.000 0.489 221 E N 3.222 123.513 120.200 0.151 0.000 2.220 221 E HA 0.214 4.564 4.350 -0.000 0.000 0.272 221 E C -0.025 176.661 176.600 0.144 0.000 1.099 221 E CA 0.021 56.507 56.400 0.144 0.000 0.907 221 E CB 0.492 30.286 29.700 0.156 0.000 1.022 221 E HN 0.603 nan 8.360 nan 0.000 0.428 222 T N 3.338 117.955 114.554 0.106 0.000 2.797 222 T HA 0.298 4.648 4.350 -0.000 0.000 0.279 222 T C -0.520 174.185 174.700 0.009 0.000 0.991 222 T CA -0.731 61.411 62.100 0.070 0.000 0.979 222 T CB 0.880 69.780 68.868 0.054 0.000 0.943 222 T HN 0.224 nan 8.240 nan 0.000 0.444 223 L N 5.097 126.243 121.223 -0.129 0.000 2.261 223 L HA 0.533 4.873 4.340 -0.000 0.000 0.289 223 L C -0.755 176.062 176.870 -0.089 0.000 1.059 223 L CA -0.247 54.416 54.840 -0.296 0.000 0.816 223 L CB 0.332 41.775 42.059 -1.027 0.000 1.191 223 L HN 0.413 nan 8.230 nan 0.000 0.431 224 V N 6.124 126.044 119.914 0.010 0.000 2.407 224 V HA 0.488 4.608 4.120 -0.000 0.000 0.278 224 V C -0.112 176.061 176.094 0.133 0.000 1.037 224 V CA -0.505 61.868 62.300 0.123 0.000 0.900 224 V CB 1.450 33.353 31.823 0.134 0.000 0.983 224 V HN 0.534 nan 8.190 nan 0.000 0.459 225 V N 3.933 123.965 119.914 0.196 0.000 2.588 225 V HA 0.854 4.974 4.120 -0.000 0.000 0.304 225 V C 0.080 176.265 176.094 0.152 0.000 1.042 225 V CA -0.486 61.924 62.300 0.184 0.000 0.877 225 V CB 1.875 33.878 31.823 0.299 0.000 0.996 225 V HN 1.000 nan 8.190 nan 0.000 0.425 226 A N 3.512 126.395 122.820 0.105 0.000 2.365 226 A HA 0.826 5.146 4.320 -0.000 0.000 0.318 226 A C -0.556 177.041 177.584 0.022 0.000 1.091 226 A CA -0.595 51.488 52.037 0.077 0.000 0.763 226 A CB 1.286 20.315 19.000 0.048 0.000 1.248 226 A HN 0.864 nan 8.150 nan 0.000 0.442 227 D N 0.694 121.093 120.400 -0.002 0.000 2.529 227 D HA 0.098 4.738 4.640 -0.000 0.000 0.273 227 D C 0.317 176.607 176.300 -0.015 0.000 1.197 227 D CA -0.266 53.706 54.000 -0.047 0.000 1.070 227 D CB 0.622 41.367 40.800 -0.092 0.000 1.134 227 D HN 0.358 nan 8.370 nan 0.000 0.590 228 D N 0.025 120.407 120.400 -0.031 0.000 2.204 228 D HA -0.243 4.397 4.640 -0.000 0.000 0.189 228 D C 1.560 177.870 176.300 0.016 0.000 1.006 228 D CA 1.906 55.900 54.000 -0.009 0.000 0.855 228 D CB 0.074 40.862 40.800 -0.020 0.000 0.946 228 D HN 0.412 nan 8.370 nan 0.000 0.448 229 K N -1.092 119.317 120.400 0.015 0.000 2.365 229 K HA 0.035 4.355 4.320 -0.000 0.000 0.197 229 K C 1.848 178.498 176.600 0.083 0.000 1.042 229 K CA 0.090 56.403 56.287 0.043 0.000 0.987 229 K CB 0.024 32.538 32.500 0.024 0.000 0.779 229 K HN 0.079 nan 8.250 nan 0.000 0.484 230 M N 0.822 120.464 119.600 0.070 0.000 2.159 230 M HA -0.067 4.413 4.480 -0.000 0.000 0.263 230 M C 1.897 178.304 176.300 0.178 0.000 1.063 230 M CA 1.387 56.757 55.300 0.116 0.000 1.110 230 M CB -0.174 32.468 32.600 0.070 0.000 1.374 230 M HN 0.157 nan 8.290 nan 0.000 0.411 231 A N -0.766 122.121 122.820 0.111 0.000 1.898 231 A HA 0.195 4.515 4.320 -0.000 0.000 0.214 231 A C 2.331 179.975 177.584 0.101 0.000 1.183 231 A CA 1.487 53.584 52.037 0.100 0.000 0.622 231 A CB -1.319 17.718 19.000 0.062 0.000 0.824 231 A HN 0.542 nan 8.150 nan 0.000 0.444 232 A N -0.963 121.908 122.820 0.085 0.000 1.892 232 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 232 A C 2.085 179.697 177.584 0.045 0.000 1.188 232 A CA 1.779 53.850 52.037 0.056 0.000 0.631 232 A CB -0.807 18.223 19.000 0.051 0.000 0.822 232 A HN 0.629 nan 8.150 nan 0.000 0.447 233 F N -0.593 119.314 119.950 -0.071 0.000 2.146 233 F HA -0.162 4.365 4.527 -0.000 0.000 0.298 233 F C 2.447 178.057 175.800 -0.316 0.000 1.096 233 F CA 2.166 60.043 58.000 -0.206 0.000 1.275 233 F CB -0.000 38.835 39.000 -0.276 0.000 1.008 233 F HN 0.374 nan 8.300 nan 0.000 0.480 234 H N -0.834 118.290 119.070 0.089 0.000 2.648 234 H HA 0.250 4.806 4.556 -0.000 0.000 0.265 234 H C 1.827 177.145 175.328 -0.016 0.000 0.961 234 H CA 0.599 56.645 56.048 -0.002 0.000 1.185 234 H CB -0.120 29.610 29.762 -0.053 0.000 1.449 234 H HN 0.431 nan 8.280 nan 0.000 0.523 235 G N 1.555 110.409 108.800 0.091 0.000 2.651 235 G HA2 -0.467 3.493 3.960 -0.000 0.000 0.315 235 G HA3 -0.467 3.493 3.960 -0.000 0.000 0.315 235 G C 1.536 176.476 174.900 0.067 0.000 1.258 235 G CA 1.603 46.733 45.100 0.050 0.000 1.002 235 G HN 0.502 nan 8.290 nan 0.000 0.551 236 A N -0.349 122.501 122.820 0.050 0.000 1.940 236 A HA 0.257 4.577 4.320 -0.000 0.000 0.219 236 A C 2.802 180.430 177.584 0.073 0.000 1.176 236 A CA 2.606 54.674 52.037 0.051 0.000 0.631 236 A CB -1.038 17.984 19.000 0.036 0.000 0.814 236 A HN 2.179 nan 8.150 nan 0.000 0.446 237 G N -0.803 108.059 108.800 0.103 0.000 2.882 237 G HA2 0.124 4.084 3.960 -0.000 0.000 0.206 237 G HA3 0.124 4.084 3.960 -0.000 0.000 0.206 237 G C 1.194 176.192 174.900 0.164 0.000 1.155 237 G CA 0.697 45.886 45.100 0.149 0.000 0.800 237 G HN 0.424 nan 8.290 nan 0.000 0.524 238 L N 0.864 122.154 121.223 0.113 0.000 1.994 238 L HA 0.034 4.374 4.340 -0.000 0.000 0.208 238 L C 2.660 179.549 176.870 0.031 0.000 1.071 238 L CA 2.478 57.337 54.840 0.032 0.000 0.745 238 L CB -0.490 41.589 42.059 0.034 0.000 0.892 238 L HN 0.249 nan 8.230 nan 0.000 0.431 239 K N -0.676 119.749 120.400 0.041 0.000 2.026 239 K HA -0.239 4.080 4.320 -0.000 0.000 0.208 239 K C 2.467 179.090 176.600 0.038 0.000 1.048 239 K CA 1.619 57.921 56.287 0.026 0.000 0.929 239 K CB -0.342 32.177 32.500 0.031 0.000 0.713 239 K HN 0.256 nan 8.250 nan 0.000 0.439 240 R N -0.518 120.028 120.500 0.076 0.000 2.127 240 R HA -0.212 4.128 4.340 -0.000 0.000 0.238 240 R C 2.230 178.620 176.300 0.150 0.000 1.134 240 R CA 1.813 57.971 56.100 0.097 0.000 0.975 240 R CB -0.376 29.987 30.300 0.105 0.000 0.865 240 R HN 0.420 nan 8.270 nan 0.000 0.447 241 Y N 0.770 121.089 120.300 0.031 0.000 2.163 241 Y HA -0.181 4.368 4.550 -0.000 0.000 0.288 241 Y C 1.940 177.739 175.900 -0.168 0.000 1.136 241 Y CA 1.686 59.763 58.100 -0.040 0.000 1.147 241 Y CB -0.171 38.145 38.460 -0.239 0.000 0.987 241 Y HN 0.003 nan 8.280 nan 0.000 0.509 242 L N -0.724 120.361 121.223 -0.230 0.000 2.093 242 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 242 L C 2.125 178.836 176.870 -0.266 0.000 1.085 242 L CA 0.577 55.178 54.840 -0.398 0.000 0.755 242 L CB -0.562 41.305 42.059 -0.319 0.000 0.904 242 L HN 0.264 nan 8.230 nan 0.000 0.435 243 L N -0.666 120.480 121.223 -0.129 0.000 2.201 243 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 243 L C 2.501 179.330 176.870 -0.068 0.000 1.105 243 L CA 1.724 56.527 54.840 -0.061 0.000 0.775 243 L CB -1.240 40.818 42.059 -0.001 0.000 0.913 243 L HN 0.207 nan 8.230 nan 0.000 0.440 244 T N -1.625 112.866 114.554 -0.105 0.000 2.812 244 T HA -0.092 4.258 4.350 -0.000 0.000 0.264 244 T C 2.077 176.676 174.700 -0.169 0.000 1.042 244 T CA 1.108 63.160 62.100 -0.078 0.000 1.140 244 T CB -0.132 68.754 68.868 0.029 0.000 0.870 244 T HN 0.047 nan 8.240 nan 0.000 0.445 245 V N 1.783 121.487 119.914 -0.349 0.000 2.343 245 V HA -0.146 3.974 4.120 -0.000 0.000 0.247 245 V C 2.583 178.588 176.094 -0.149 0.000 1.051 245 V CA 1.367 63.477 62.300 -0.317 0.000 1.036 245 V CB -0.452 31.078 31.823 -0.488 0.000 0.654 245 V HN 0.430 nan 8.190 nan 0.000 0.451 246 M N -0.521 119.010 119.600 -0.113 0.000 2.175 246 M HA -0.096 4.384 4.480 -0.000 0.000 0.264 246 M C 2.412 178.715 176.300 0.005 0.000 1.063 246 M CA 2.041 57.334 55.300 -0.012 0.000 1.119 246 M CB -1.396 31.205 32.600 0.001 0.000 1.377 246 M HN 0.406 nan 8.290 nan 0.000 0.415 247 A N 0.094 122.907 122.820 -0.012 0.000 1.978 247 A HA -0.034 4.286 4.320 -0.000 0.000 0.220 247 A C 2.358 179.951 177.584 0.014 0.000 1.170 247 A CA 2.086 54.130 52.037 0.012 0.000 0.636 247 A CB -0.729 18.279 19.000 0.013 0.000 0.810 247 A HN 0.497 nan 8.150 nan 0.000 0.448 248 A N -0.635 122.167 122.820 -0.029 0.000 1.975 248 A HA 0.373 4.693 4.320 -0.000 0.000 0.215 248 A C 2.422 179.949 177.584 -0.095 0.000 1.170 248 A CA 1.474 53.466 52.037 -0.075 0.000 0.656 248 A CB -0.756 18.147 19.000 -0.161 0.000 0.821 248 A HN 0.918 nan 8.150 nan 0.000 0.449 249 A N 0.158 122.956 122.820 -0.038 0.000 1.898 249 A HA 0.209 4.529 4.320 -0.000 0.000 0.216 249 A C 2.477 180.230 177.584 0.281 0.000 1.181 249 A CA 1.853 53.950 52.037 0.100 0.000 0.620 249 A CB -0.996 18.096 19.000 0.153 0.000 0.819 249 A HN 0.990 nan 8.150 nan 0.000 0.442 250 A N 0.034 122.968 122.820 0.191 0.000 1.940 250 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 250 A C 2.097 179.819 177.584 0.230 0.000 1.176 250 A CA 2.228 54.389 52.037 0.206 0.000 0.631 250 A CB -0.488 18.578 19.000 0.110 0.000 0.814 250 A HN 0.583 nan 8.150 nan 0.000 0.446 251 K N -0.221 120.277 120.400 0.163 0.000 2.032 251 K HA -0.104 4.216 4.320 -0.000 0.000 0.209 251 K C 2.122 178.861 176.600 0.232 0.000 1.048 251 K CA 1.461 57.846 56.287 0.162 0.000 0.927 251 K CB -0.403 32.167 32.500 0.117 0.000 0.712 251 K HN 0.351 nan 8.250 nan 0.000 0.441 252 A N 0.442 123.395 122.820 0.223 0.000 1.865 252 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 252 A C 1.961 179.851 177.584 0.511 0.000 1.191 252 A CA 1.585 53.769 52.037 0.245 0.000 0.623 252 A CB -0.995 18.036 19.000 0.052 0.000 0.826 252 A HN 0.416 nan 8.150 nan 0.000 0.444 253 F N -0.458 119.754 119.950 0.437 0.000 2.546 253 F HA -0.003 4.524 4.527 -0.000 0.000 0.298 253 F C 2.111 177.984 175.800 0.123 0.000 1.120 253 F CA 1.521 59.685 58.000 0.273 0.000 1.456 253 F CB 0.080 39.160 39.000 0.134 0.000 1.088 253 F HN 0.158 nan 8.300 nan 0.000 0.572 254 K N -1.129 119.458 120.400 0.310 0.000 2.367 254 K HA -0.042 4.278 4.320 -0.000 0.000 0.194 254 K C 0.657 177.354 176.600 0.163 0.000 1.027 254 K CA -0.056 56.335 56.287 0.173 0.000 1.075 254 K CB 0.063 32.643 32.500 0.133 0.000 0.845 254 K HN 0.081 nan 8.250 nan 0.000 0.529 255 H N 1.008 120.184 119.070 0.177 0.000 2.764 255 H HA 0.027 4.583 4.556 -0.000 0.000 0.341 255 H C -1.956 173.440 175.328 0.114 0.000 1.072 255 H CA -1.336 54.810 56.048 0.164 0.000 1.444 255 H CB 1.590 31.492 29.762 0.233 0.000 1.458 255 H HN -0.073 nan 8.280 nan 0.000 0.572 256 P HA -0.229 nan 4.420 nan 0.000 0.218 256 P C 1.591 178.987 177.300 0.161 0.000 1.150 256 P CA 2.188 65.285 63.100 -0.006 0.000 0.841 256 P CB 0.108 31.741 31.700 -0.112 0.000 0.784 257 S N -1.152 114.816 115.700 0.447 0.000 2.399 257 S HA -0.158 4.312 4.470 -0.000 0.000 0.231 257 S C 1.940 176.628 174.600 0.147 0.000 1.022 257 S CA 0.871 59.259 58.200 0.314 0.000 0.983 257 S CB -1.530 61.878 63.200 0.347 0.000 0.803 257 S HN 0.137 nan 8.310 nan 0.000 0.480 258 I N 1.202 121.798 120.570 0.043 0.000 2.676 258 I HA 0.028 4.198 4.170 -0.000 0.000 0.259 258 I C 0.872 176.875 176.117 -0.190 0.000 1.194 258 I CA 0.459 61.568 61.300 -0.319 0.000 1.473 258 I CB -0.184 37.344 38.000 -0.787 0.000 1.096 258 I HN 0.246 nan 8.210 nan 0.000 0.443 259 R N 1.232 121.683 120.500 -0.081 0.000 3.758 259 R HA -0.188 4.152 4.340 -0.000 0.000 0.299 259 R C -0.655 175.596 176.300 -0.082 0.000 1.182 259 R CA 0.658 56.723 56.100 -0.059 0.000 0.809 259 R CB -2.548 27.729 30.300 -0.038 0.000 1.249 259 R HN 0.500 nan 8.270 nan 0.000 0.497 260 N N 0.003 118.633 118.700 -0.116 0.000 2.284 260 N HA 0.293 5.033 4.740 -0.000 0.000 0.289 260 N C -2.836 172.605 175.510 -0.115 0.000 1.179 260 N CA -1.616 51.365 53.050 -0.115 0.000 0.774 260 N CB 2.629 41.027 38.487 -0.147 0.000 1.548 260 N HN -0.211 nan 8.380 nan 0.000 0.473 261 P HA 0.216 nan 4.420 nan 0.000 0.241 261 P C -0.816 176.376 177.300 -0.180 0.000 1.780 261 P CA -0.175 62.849 63.100 -0.126 0.000 1.111 261 P CB 0.148 31.776 31.700 -0.121 0.000 1.852 262 V N 2.117 121.944 119.914 -0.145 0.000 2.311 262 V HA 0.252 4.372 4.120 -0.000 0.000 0.275 262 V C 0.711 176.746 176.094 -0.098 0.000 1.022 262 V CA -0.442 61.770 62.300 -0.147 0.000 0.830 262 V CB 1.261 32.991 31.823 -0.156 0.000 1.012 262 V HN 0.430 nan 8.190 nan 0.000 0.452 263 S N 6.777 122.358 115.700 -0.199 0.000 2.399 263 S HA 0.427 4.897 4.470 -0.000 0.000 0.301 263 S C -0.356 174.235 174.600 -0.015 0.000 1.093 263 S CA -0.529 57.605 58.200 -0.110 0.000 1.077 263 S CB 0.203 63.281 63.200 -0.205 0.000 0.980 263 S HN 0.660 nan 8.310 nan 0.000 0.494 264 L N 6.300 127.532 121.223 0.015 0.000 2.361 264 L HA 0.496 4.836 4.340 -0.000 0.000 0.278 264 L C -1.009 175.893 176.870 0.054 0.000 1.113 264 L CA -0.243 54.600 54.840 0.005 0.000 0.849 264 L CB 1.009 43.050 42.059 -0.031 0.000 1.155 264 L HN 0.493 nan 8.230 nan 0.000 0.452 265 V N 5.348 125.305 119.914 0.072 0.000 2.623 265 V HA 0.266 4.386 4.120 -0.000 0.000 0.304 265 V C -0.315 175.824 176.094 0.074 0.000 1.054 265 V CA -0.606 61.746 62.300 0.087 0.000 0.882 265 V CB 2.494 34.401 31.823 0.140 0.000 1.002 265 V HN 0.391 nan 8.190 nan 0.000 0.424 266 V N 5.062 125.011 119.914 0.059 0.000 2.320 266 V HA 0.198 4.318 4.120 -0.000 0.000 0.265 266 V C 1.339 177.465 176.094 0.053 0.000 1.048 266 V CA 0.456 62.788 62.300 0.053 0.000 0.865 266 V CB 0.975 32.824 31.823 0.043 0.000 1.043 266 V HN 1.103 nan 8.190 nan 0.000 0.474 267 T N 2.418 117.009 114.554 0.061 0.000 2.937 267 T HA 0.167 4.517 4.350 -0.000 0.000 0.260 267 T C 0.833 175.565 174.700 0.054 0.000 1.051 267 T CA 0.375 62.513 62.100 0.063 0.000 1.141 267 T CB 0.255 69.176 68.868 0.088 0.000 0.879 267 T HN 0.484 nan 8.240 nan 0.000 0.459 268 R N 0.191 120.714 120.500 0.039 0.000 2.575 268 R HA 0.682 5.022 4.340 -0.000 0.000 0.293 268 R C -1.782 174.527 176.300 0.014 0.000 0.983 268 R CA -0.644 55.470 56.100 0.024 0.000 0.887 268 R CB 2.378 32.684 30.300 0.009 0.000 1.184 268 R HN 0.193 nan 8.270 nan 0.000 0.445 269 L N 4.090 125.331 121.223 0.029 0.000 2.349 269 L HA 0.549 4.889 4.340 -0.000 0.000 0.278 269 L C -0.938 175.964 176.870 0.053 0.000 0.996 269 L CA -0.976 53.887 54.840 0.038 0.000 0.825 269 L CB 1.879 43.957 42.059 0.032 0.000 1.243 269 L HN 0.506 nan 8.230 nan 0.000 0.412 270 V N 3.676 123.636 119.914 0.077 0.000 2.487 270 V HA 0.596 4.716 4.120 -0.000 0.000 0.298 270 V C -0.464 175.695 176.094 0.107 0.000 1.028 270 V CA -0.437 61.926 62.300 0.105 0.000 0.860 270 V CB 1.709 33.624 31.823 0.153 0.000 0.991 270 V HN 0.624 nan 8.190 nan 0.000 0.427 271 I N 5.753 126.375 120.570 0.086 0.000 2.377 271 I HA 0.487 4.657 4.170 -0.000 0.000 0.293 271 I C -0.570 175.591 176.117 0.074 0.000 0.987 271 I CA -0.549 60.792 61.300 0.069 0.000 1.185 271 I CB 1.741 39.773 38.000 0.053 0.000 1.341 271 I HN 0.500 nan 8.210 nan 0.000 0.455 272 L N 4.888 126.146 121.223 0.058 0.000 2.358 272 L HA 0.749 5.089 4.340 -0.000 0.000 0.268 272 L C 0.671 177.563 176.870 0.037 0.000 1.032 272 L CA 0.052 54.922 54.840 0.050 0.000 0.805 272 L CB 1.507 43.573 42.059 0.012 0.000 1.253 272 L HN 0.674 nan 8.230 nan 0.000 0.452 273 G N -1.074 107.747 108.800 0.035 0.000 3.234 273 G HA2 0.488 4.448 3.960 -0.000 0.000 0.159 273 G HA3 0.488 4.448 3.960 -0.000 0.000 0.159 273 G C -0.710 174.200 174.900 0.018 0.000 1.175 273 G CA -0.100 45.016 45.100 0.027 0.000 0.900 273 G HN 0.406 nan 8.290 nan 0.000 0.621 274 S N -1.045 114.666 115.700 0.018 0.000 2.686 274 S HA 0.488 4.958 4.470 -0.000 0.000 0.223 274 S C 0.648 175.259 174.600 0.020 0.000 0.885 274 S CA 0.798 59.007 58.200 0.015 0.000 1.115 274 S CB -0.597 62.605 63.200 0.004 0.000 1.459 274 S HN 2.243 nan 8.310 nan 0.000 0.444 275 G N 2.015 110.831 108.800 0.026 0.000 4.933 275 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.285 275 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.285 275 G C -0.473 174.455 174.900 0.047 0.000 1.596 275 G CA 0.103 45.224 45.100 0.034 0.000 1.081 275 G HN 0.553 nan 8.290 nan 0.000 0.710 276 E N 0.918 121.150 120.200 0.052 0.000 2.244 276 E HA 0.598 4.948 4.350 -0.000 0.000 0.266 276 E C -0.228 176.427 176.600 0.091 0.000 0.914 276 E CA -0.538 55.912 56.400 0.084 0.000 0.794 276 E CB 1.682 31.446 29.700 0.107 0.000 1.210 276 E HN 0.451 nan 8.360 nan 0.000 0.414 277 E N 1.402 121.688 120.200 0.144 0.000 2.222 277 E HA 0.192 4.542 4.350 -0.000 0.000 0.312 277 E C -0.172 176.600 176.600 0.288 0.000 1.263 277 E CA -0.281 56.225 56.400 0.177 0.000 1.356 277 E CB -0.422 29.386 29.700 0.180 0.000 1.180 277 E HN 0.592 nan 8.360 nan 0.000 0.494 278 G N 2.383 111.225 108.800 0.070 0.000 2.537 278 G HA2 0.314 4.274 3.960 -0.000 0.000 0.297 278 G HA3 0.314 4.274 3.960 -0.000 0.000 0.297 278 G C -2.393 172.133 174.900 -0.623 0.000 1.310 278 G CA -1.095 43.830 45.100 -0.293 0.000 1.027 278 G HN 0.275 nan 8.290 nan 0.000 0.505 279 P HA 0.065 nan 4.420 nan 0.000 0.271 279 P C -0.496 176.648 177.300 -0.260 0.000 1.220 279 P CA -0.249 62.467 63.100 -0.640 0.000 0.768 279 P CB 1.016 32.413 31.700 -0.504 0.000 0.848 280 Q N 2.714 122.446 119.800 -0.112 0.000 2.276 280 Q HA 0.098 4.438 4.340 -0.000 0.000 0.267 280 Q C -0.743 175.227 176.000 -0.050 0.000 1.135 280 Q CA 0.166 55.934 55.803 -0.058 0.000 0.910 280 Q CB 0.245 28.976 28.738 -0.012 0.000 1.271 280 Q HN 0.295 nan 8.270 nan 0.000 0.417 281 V N 4.436 124.309 119.914 -0.069 0.000 2.383 281 V HA 0.742 4.862 4.120 -0.000 0.000 0.275 281 V C 0.114 176.182 176.094 -0.045 0.000 1.036 281 V CA 1.104 63.365 62.300 -0.066 0.000 0.889 281 V CB 0.498 32.262 31.823 -0.098 0.000 0.985 281 V HN 0.992 nan 8.190 nan 0.000 0.459 282 G N 6.819 115.598 108.800 -0.035 0.000 2.661 282 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.685 282 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.685 282 G C -2.008 172.884 174.900 -0.014 0.000 1.298 282 G CA -0.168 44.917 45.100 -0.025 0.000 0.855 282 G HN 0.635 nan 8.290 nan 0.000 0.560 283 P HA 0.028 nan 4.420 nan 0.000 0.215 283 P C 1.284 178.574 177.300 -0.016 0.000 1.157 283 P CA 1.949 65.041 63.100 -0.013 0.000 0.859 283 P CB -0.136 31.560 31.700 -0.008 0.000 0.786 284 S N -1.458 114.233 115.700 -0.014 0.000 2.745 284 S HA 0.621 5.091 4.470 -0.000 0.000 0.292 284 S C 1.408 175.996 174.600 -0.021 0.000 1.133 284 S CA -0.163 58.027 58.200 -0.016 0.000 0.998 284 S CB 1.228 64.421 63.200 -0.011 0.000 1.087 284 S HN 0.123 nan 8.310 nan 0.000 0.551 285 A N 0.674 123.479 122.820 -0.025 0.000 2.015 285 A HA 0.255 4.575 4.320 -0.000 0.000 0.219 285 A C 2.261 179.834 177.584 -0.019 0.000 1.163 285 A CA 1.513 53.532 52.037 -0.031 0.000 0.646 285 A CB -1.560 17.418 19.000 -0.036 0.000 0.806 285 A HN 1.275 nan 8.150 nan 0.000 0.448 286 A N -0.804 122.009 122.820 -0.011 0.000 1.898 286 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 286 A C 2.099 179.688 177.584 0.008 0.000 1.181 286 A CA 1.584 53.619 52.037 -0.003 0.000 0.620 286 A CB -0.374 18.624 19.000 -0.004 0.000 0.819 286 A HN 0.470 nan 8.150 nan 0.000 0.442 287 Q N -0.430 119.373 119.800 0.006 0.000 2.172 287 Q HA -0.072 4.267 4.340 -0.000 0.000 0.200 287 Q C 2.098 178.113 176.000 0.024 0.000 0.964 287 Q CA 1.763 57.575 55.803 0.014 0.000 0.855 287 Q CB -1.319 27.424 28.738 0.008 0.000 0.918 287 Q HN 0.624 nan 8.270 nan 0.000 0.444 288 T N 2.398 116.958 114.554 0.010 0.000 2.684 288 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 288 T C 1.858 176.596 174.700 0.064 0.000 1.036 288 T CA 0.835 62.940 62.100 0.009 0.000 1.148 288 T CB -0.281 68.565 68.868 -0.038 0.000 0.863 288 T HN 0.180 nan 8.240 nan 0.000 0.436 289 L N 0.460 121.718 121.223 0.059 0.000 2.017 289 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 289 L C 2.834 179.783 176.870 0.132 0.000 1.073 289 L CA 1.570 56.476 54.840 0.111 0.000 0.745 289 L CB -0.265 41.830 42.059 0.060 0.000 0.894 289 L HN 0.232 nan 8.230 nan 0.000 0.432 290 R N -1.113 119.437 120.500 0.083 0.000 2.083 290 R HA -0.184 4.156 4.340 -0.000 0.000 0.237 290 R C 2.499 178.853 176.300 0.089 0.000 1.137 290 R CA 1.699 57.842 56.100 0.071 0.000 0.951 290 R CB -0.466 29.862 30.300 0.047 0.000 0.851 290 R HN 0.272 nan 8.270 nan 0.000 0.434 291 S N 0.142 115.902 115.700 0.101 0.000 2.371 291 S HA -0.115 4.355 4.470 -0.000 0.000 0.224 291 S C 1.599 176.305 174.600 0.178 0.000 1.029 291 S CA 0.759 59.027 58.200 0.113 0.000 0.978 291 S CB -0.197 63.050 63.200 0.080 0.000 0.833 291 S HN 0.351 nan 8.310 nan 0.000 0.466 292 F N 0.980 120.960 119.950 0.051 0.000 2.365 292 F HA 0.010 4.537 4.527 -0.000 0.000 0.300 292 F C 2.254 178.171 175.800 0.195 0.000 1.090 292 F CA 0.707 58.762 58.000 0.092 0.000 1.408 292 F CB -0.690 38.316 39.000 0.011 0.000 1.060 292 F HN 0.315 nan 8.300 nan 0.000 0.534 293 c N -0.019 118.570 118.600 -0.019 0.000 2.505 293 c HA 0.180 4.750 4.570 -0.000 0.000 0.279 293 c C 3.103 177.158 174.090 -0.058 0.000 1.316 293 c CA 1.035 57.299 56.329 -0.109 0.000 1.720 293 c CB -1.522 40.992 42.510 0.007 0.000 2.050 293 c HN 0.587 nan 8.230 nan 0.000 0.493 294 A N -1.182 121.652 122.820 0.023 0.000 1.972 294 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 294 A C 1.906 179.527 177.584 0.061 0.000 1.169 294 A CA 1.595 53.655 52.037 0.039 0.000 0.635 294 A CB -0.881 18.157 19.000 0.063 0.000 0.810 294 A HN 0.839 nan 8.150 nan 0.000 0.446 295 W N 0.465 121.704 121.300 -0.102 0.000 2.441 295 W HA -0.137 4.523 4.660 -0.000 0.000 0.302 295 W C 2.357 178.797 176.519 -0.132 0.000 1.191 295 W CA 1.651 58.945 57.345 -0.086 0.000 1.327 295 W CB -0.136 29.301 29.460 -0.039 0.000 1.128 295 W HN 0.445 nan 8.180 nan 0.000 0.522 296 Q N 1.181 120.935 119.800 -0.078 0.000 2.152 296 Q HA -0.266 4.074 4.340 -0.000 0.000 0.206 296 Q C 2.053 177.977 176.000 -0.127 0.000 0.985 296 Q CA 1.964 57.624 55.803 -0.238 0.000 0.863 296 Q CB -0.596 27.882 28.738 -0.433 0.000 0.904 296 Q HN 0.399 nan 8.270 nan 0.000 0.422 297 R N -0.536 119.887 120.500 -0.129 0.000 2.103 297 R HA -0.149 4.191 4.340 -0.000 0.000 0.242 297 R C 2.346 178.546 176.300 -0.167 0.000 1.142 297 R CA 1.351 57.376 56.100 -0.126 0.000 0.960 297 R CB -0.692 29.547 30.300 -0.100 0.000 0.858 297 R HN 0.469 nan 8.270 nan 0.000 0.439 298 G N 0.093 108.753 108.800 -0.233 0.000 2.559 298 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.216 298 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.216 298 G C 1.074 175.822 174.900 -0.253 0.000 1.126 298 G CA 0.254 45.206 45.100 -0.246 0.000 0.778 298 G HN 0.087 nan 8.290 nan 0.000 0.543 299 L N -0.238 120.835 121.223 -0.250 0.000 2.477 299 L HA 0.302 4.642 4.340 -0.000 0.000 0.220 299 L C 1.092 177.991 176.870 0.049 0.000 1.106 299 L CA -0.020 54.753 54.840 -0.113 0.000 0.851 299 L CB -0.248 41.724 42.059 -0.146 0.000 0.994 299 L HN 0.039 nan 8.230 nan 0.000 0.462 300 N N -0.610 118.032 118.700 -0.098 0.000 2.434 300 N HA 0.275 5.014 4.740 -0.000 0.000 0.266 300 N C 0.021 175.394 175.510 -0.228 0.000 1.223 300 N CA 0.233 53.032 53.050 -0.418 0.000 0.972 300 N CB 1.021 38.999 38.487 -0.849 0.000 1.207 300 N HN 0.131 nan 8.380 nan 0.000 0.525 301 T N -2.158 112.285 114.554 -0.186 0.000 2.938 301 T HA 0.500 4.850 4.350 -0.000 0.000 0.285 301 T C -1.699 173.007 174.700 0.010 0.000 1.028 301 T CA -1.328 60.748 62.100 -0.041 0.000 1.005 301 T CB 1.192 70.068 68.868 0.014 0.000 1.157 301 T HN 0.217 nan 8.240 nan 0.000 0.550 302 P HA 0.040 nan 4.420 nan 0.000 0.213 302 P C 0.246 177.512 177.300 -0.056 0.000 1.170 302 P CA 1.204 64.286 63.100 -0.030 0.000 0.898 302 P CB 0.161 31.837 31.700 -0.040 0.000 0.787 303 E N -1.091 119.050 120.200 -0.099 0.000 2.227 303 E HA 0.076 4.426 4.350 -0.000 0.000 0.268 303 E C -0.033 176.306 176.600 -0.435 0.000 0.907 303 E CA -0.450 55.813 56.400 -0.228 0.000 0.786 303 E CB 1.152 30.765 29.700 -0.146 0.000 1.191 303 E HN -0.084 nan 8.360 nan 0.000 0.411 304 D N 0.715 120.703 120.400 -0.687 0.000 2.392 304 D HA -0.034 4.606 4.640 -0.000 0.000 0.228 304 D C 0.978 177.126 176.300 -0.254 0.000 1.003 304 D CA 0.628 54.190 54.000 -0.729 0.000 0.917 304 D CB 0.454 40.928 40.800 -0.543 0.000 0.890 304 D HN 0.187 nan 8.370 nan 0.000 0.532 305 S N 0.337 115.927 115.700 -0.183 0.000 2.338 305 S HA -0.114 4.356 4.470 -0.000 0.000 0.218 305 S C 0.449 175.018 174.600 -0.052 0.000 1.032 305 S CA 0.861 59.003 58.200 -0.096 0.000 0.999 305 S CB -0.322 62.830 63.200 -0.081 0.000 0.905 305 S HN 0.517 nan 8.310 nan 0.000 0.439 306 D N 1.555 121.934 120.400 -0.035 0.000 2.399 306 D HA 0.151 4.791 4.640 -0.000 0.000 0.241 306 D C -2.311 174.008 176.300 0.032 0.000 1.133 306 D CA -1.724 52.276 54.000 -0.000 0.000 0.890 306 D CB -0.097 40.706 40.800 0.005 0.000 1.201 306 D HN 0.029 nan 8.370 nan 0.000 0.432 307 P HA -0.017 nan 4.420 nan 0.000 0.239 307 P C 0.107 177.452 177.300 0.075 0.000 1.184 307 P CA 0.554 63.681 63.100 0.045 0.000 0.760 307 P CB 0.246 31.964 31.700 0.029 0.000 0.884 308 D N -2.629 117.820 120.400 0.080 0.000 2.333 308 D HA -0.032 4.608 4.640 -0.000 0.000 0.208 308 D C 0.579 176.960 176.300 0.135 0.000 0.984 308 D CA 0.430 54.491 54.000 0.101 0.000 0.873 308 D CB -0.655 40.184 40.800 0.066 0.000 0.935 308 D HN 0.286 nan 8.370 nan 0.000 0.521 309 H N 0.029 119.101 119.070 0.002 0.000 2.764 309 H HA 0.239 4.794 4.556 -0.000 0.000 0.341 309 H C -0.428 174.906 175.328 0.009 0.000 1.072 309 H CA -0.178 55.813 56.048 -0.095 0.000 1.444 309 H CB 0.095 29.783 29.762 -0.122 0.000 1.458 309 H HN -0.167 nan 8.280 nan 0.000 0.572 310 F N 1.752 121.405 119.950 -0.495 0.000 2.579 310 F HA 0.378 4.905 4.527 -0.000 0.000 0.324 310 F C 0.161 175.764 175.800 -0.328 0.000 1.058 310 F CA -1.103 56.742 58.000 -0.258 0.000 0.944 310 F CB 1.246 40.161 39.000 -0.142 0.000 1.245 310 F HN 0.378 nan 8.300 nan 0.000 0.477 311 D N -0.367 120.102 120.400 0.116 0.000 2.262 311 D HA 0.083 4.722 4.640 -0.000 0.000 0.212 311 D C 0.265 176.627 176.300 0.104 0.000 0.964 311 D CA 1.220 55.261 54.000 0.067 0.000 0.875 311 D CB 0.613 41.462 40.800 0.082 0.000 0.996 311 D HN 0.552 nan 8.370 nan 0.000 0.497 312 T N -0.468 114.206 114.554 0.200 0.000 2.956 312 T HA 0.630 4.980 4.350 -0.000 0.000 0.312 312 T C -1.779 173.011 174.700 0.150 0.000 1.151 312 T CA -0.634 61.557 62.100 0.152 0.000 1.024 312 T CB 1.766 70.648 68.868 0.023 0.000 1.140 312 T HN -0.021 nan 8.240 nan 0.000 0.473 313 A N 3.988 126.890 122.820 0.137 0.000 2.337 313 A HA 0.900 5.220 4.320 -0.000 0.000 0.329 313 A C -0.827 176.887 177.584 0.216 0.000 1.146 313 A CA -0.695 51.403 52.037 0.101 0.000 0.800 313 A CB 0.676 19.726 19.000 0.084 0.000 1.220 313 A HN 0.803 nan 8.150 nan 0.000 0.472 314 I N 2.395 123.062 120.570 0.162 0.000 2.478 314 I HA 0.278 4.448 4.170 -0.000 0.000 0.287 314 I C -1.115 174.869 176.117 -0.223 0.000 1.042 314 I CA -0.676 60.594 61.300 -0.049 0.000 1.067 314 I CB 1.758 39.680 38.000 -0.131 0.000 1.233 314 I HN 0.546 nan 8.210 nan 0.000 0.431 315 L N 6.856 127.669 121.223 -0.684 0.000 2.292 315 L HA 0.531 4.871 4.340 -0.000 0.000 0.284 315 L C -1.297 175.206 176.870 -0.613 0.000 1.065 315 L CA 0.303 54.660 54.840 -0.805 0.000 0.806 315 L CB 0.678 41.870 42.059 -1.446 0.000 1.175 315 L HN 0.261 nan 8.230 nan 0.000 0.431 316 F N 3.481 123.289 119.950 -0.236 0.000 2.402 316 F HA 0.511 5.038 4.527 -0.000 0.000 0.355 316 F C 0.543 176.251 175.800 -0.153 0.000 1.123 316 F CA -0.375 57.533 58.000 -0.152 0.000 1.021 316 F CB 1.874 40.825 39.000 -0.082 0.000 1.160 316 F HN 0.464 nan 8.300 nan 0.000 0.451 317 T N 2.762 117.306 114.554 -0.017 0.000 2.908 317 T HA 0.431 4.781 4.350 -0.000 0.000 0.290 317 T C 0.650 175.328 174.700 -0.037 0.000 1.034 317 T CA -0.593 61.480 62.100 -0.045 0.000 1.010 317 T CB 1.270 70.076 68.868 -0.102 0.000 1.068 317 T HN 0.746 nan 8.240 nan 0.000 0.481 318 R N 1.346 121.814 120.500 -0.052 0.000 2.397 318 R HA 0.193 4.533 4.340 -0.000 0.000 0.241 318 R C 0.640 176.892 176.300 -0.080 0.000 0.914 318 R CA -0.190 55.848 56.100 -0.103 0.000 1.071 318 R CB 0.440 30.625 30.300 -0.191 0.000 1.116 318 R HN 0.599 nan 8.270 nan 0.000 0.524 319 Q N 2.169 121.936 119.800 -0.057 0.000 2.271 319 Q HA -0.055 4.284 4.340 -0.000 0.000 0.273 319 Q C -0.839 175.130 176.000 -0.051 0.000 1.051 319 Q CA 0.122 55.898 55.803 -0.045 0.000 0.901 319 Q CB 0.718 29.430 28.738 -0.042 0.000 1.174 319 Q HN -0.049 nan 8.270 nan 0.000 0.385 320 D N 4.562 124.936 120.400 -0.043 0.000 2.356 320 D HA -0.037 4.603 4.640 -0.000 0.000 0.272 320 D C 0.411 176.688 176.300 -0.039 0.000 1.337 320 D CA 0.386 54.361 54.000 -0.043 0.000 0.970 320 D CB 0.313 41.094 40.800 -0.031 0.000 1.092 320 D HN 0.622 nan 8.370 nan 0.000 0.516 321 L N 2.403 123.599 121.223 -0.046 0.000 2.253 321 L HA 0.119 4.459 4.340 -0.000 0.000 0.205 321 L C 0.897 177.745 176.870 -0.036 0.000 1.078 321 L CA 0.038 54.853 54.840 -0.042 0.000 0.805 321 L CB 0.136 42.164 42.059 -0.051 0.000 0.963 321 L HN 0.428 nan 8.230 nan 0.000 0.459 322 c N 1.691 120.266 118.600 -0.041 0.000 2.218 322 c HA 0.613 5.183 4.570 -0.000 0.000 0.353 322 c C 1.365 175.437 174.090 -0.030 0.000 1.070 322 c CA 0.069 56.376 56.329 -0.037 0.000 1.497 322 c CB -1.123 41.361 42.510 -0.044 0.000 1.951 322 c HN 0.739 nan 8.230 nan 0.000 0.493 323 G N 1.090 109.876 108.800 -0.023 0.000 3.617 323 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.217 323 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.217 323 G C 0.553 175.445 174.900 -0.012 0.000 0.967 323 G CA 0.685 45.775 45.100 -0.016 0.000 0.878 323 G HN 0.458 nan 8.290 nan 0.000 0.439 324 V N 0.454 120.360 119.914 -0.014 0.000 2.685 324 V HA 0.565 4.685 4.120 -0.000 0.000 0.244 324 V C 0.800 176.887 176.094 -0.012 0.000 1.054 324 V CA 2.216 64.510 62.300 -0.012 0.000 1.076 324 V CB 0.881 32.697 31.823 -0.012 0.000 0.725 324 V HN 0.319 nan 8.190 nan 0.000 0.467 325 S N -0.645 115.046 115.700 -0.015 0.000 2.579 325 S HA 0.492 4.962 4.470 -0.000 0.000 0.272 325 S C -0.486 174.103 174.600 -0.018 0.000 1.141 325 S CA -0.038 58.154 58.200 -0.014 0.000 0.843 325 S CB 1.925 65.117 63.200 -0.013 0.000 1.122 325 S HN 0.633 nan 8.310 nan 0.000 0.468 326 T N 0.038 114.583 114.554 -0.015 0.000 2.888 326 T HA 0.468 4.818 4.350 -0.000 0.000 0.301 326 T C 0.571 175.258 174.700 -0.020 0.000 1.001 326 T CA -0.565 61.525 62.100 -0.017 0.000 1.147 326 T CB -0.826 68.034 68.868 -0.012 0.000 0.931 326 T HN 0.810 nan 8.240 nan 0.000 0.541 327 c N 1.817 120.402 118.600 -0.025 0.000 2.967 327 c HA 0.704 5.274 4.570 -0.000 0.000 0.372 327 c C 1.355 175.430 174.090 -0.024 0.000 1.455 327 c CA -0.521 55.791 56.329 -0.028 0.000 1.638 327 c CB 1.302 43.789 42.510 -0.038 0.000 2.096 327 c HN 0.891 nan 8.230 nan 0.000 0.466 328 D N -0.045 120.344 120.400 -0.019 0.000 2.154 328 D HA 0.069 4.709 4.640 -0.000 0.000 0.211 328 D C 1.782 178.052 176.300 -0.051 0.000 0.977 328 D CA 2.185 56.192 54.000 0.011 0.000 0.869 328 D CB 0.093 40.922 40.800 0.049 0.000 1.022 328 D HN 0.726 nan 8.370 nan 0.000 0.461 329 T N -1.257 113.233 114.554 -0.107 0.000 3.397 329 T HA 0.364 4.714 4.350 -0.000 0.000 0.233 329 T C 0.335 174.965 174.700 -0.117 0.000 0.969 329 T CA -0.200 61.786 62.100 -0.190 0.000 1.316 329 T CB 0.493 69.133 68.868 -0.381 0.000 1.175 329 T HN -0.030 nan 8.240 nan 0.000 0.381 330 L N 1.526 122.695 121.223 -0.091 0.000 2.861 330 L HA 0.611 4.951 4.340 -0.000 0.000 0.290 330 L C 0.068 176.903 176.870 -0.059 0.000 1.346 330 L CA -0.483 54.317 54.840 -0.067 0.000 0.779 330 L CB 1.061 43.084 42.059 -0.060 0.000 1.143 330 L HN 0.515 nan 8.230 nan 0.000 0.548 331 G N -0.107 108.663 108.800 -0.050 0.000 2.340 331 G HA2 0.536 4.496 3.960 -0.000 0.000 0.299 331 G HA3 0.536 4.496 3.960 -0.000 0.000 0.299 331 G C -1.820 173.065 174.900 -0.025 0.000 1.291 331 G CA -0.539 44.531 45.100 -0.050 0.000 0.841 331 G HN -0.144 nan 8.290 nan 0.000 0.500 332 M N -0.356 119.229 119.600 -0.026 0.000 2.618 332 M HA 0.876 5.356 4.480 -0.000 0.000 0.281 332 M C -0.293 176.006 176.300 -0.002 0.000 1.267 332 M CA -0.602 54.687 55.300 -0.019 0.000 0.845 332 M CB 1.607 34.192 32.600 -0.025 0.000 1.732 332 M HN 1.902 nan 8.290 nan 0.000 0.461 333 A N 0.556 123.363 122.820 -0.023 0.000 2.567 333 A HA 0.644 4.964 4.320 -0.000 0.000 0.291 333 A C -1.894 175.666 177.584 -0.041 0.000 1.048 333 A CA -0.784 51.255 52.037 0.003 0.000 0.661 333 A CB 1.147 20.185 19.000 0.062 0.000 1.288 333 A HN 0.674 nan 8.150 nan 0.000 0.424 334 D N 0.406 120.802 120.400 -0.007 0.000 2.253 334 D HA 0.476 5.116 4.640 -0.000 0.000 0.249 334 D C -0.174 176.112 176.300 -0.024 0.000 1.049 334 D CA 0.012 53.999 54.000 -0.021 0.000 0.929 334 D CB 1.749 42.554 40.800 0.007 0.000 1.176 334 D HN 0.283 nan 8.370 nan 0.000 0.437 335 V N 0.653 120.540 119.914 -0.045 0.000 2.406 335 V HA 0.476 4.596 4.120 -0.000 0.000 0.272 335 V C 0.977 177.016 176.094 -0.092 0.000 1.043 335 V CA -0.512 61.753 62.300 -0.058 0.000 0.915 335 V CB 0.544 32.323 31.823 -0.073 0.000 0.988 335 V HN 0.823 nan 8.190 nan 0.000 0.466 336 G N 4.187 112.871 108.800 -0.195 0.000 2.438 336 G HA2 -0.161 3.798 3.960 -0.000 0.000 0.272 336 G HA3 -0.161 3.798 3.960 -0.000 0.000 0.272 336 G C 0.279 175.235 174.900 0.093 0.000 0.991 336 G CA 0.316 45.223 45.100 -0.321 0.000 1.348 336 G HN 1.348 nan 8.290 nan 0.000 0.483 337 T N -3.001 111.623 114.554 0.117 0.000 3.130 337 T HA 0.292 4.642 4.350 -0.000 0.000 0.288 337 T C 2.069 176.854 174.700 0.142 0.000 0.936 337 T CA 0.966 63.163 62.100 0.161 0.000 0.897 337 T CB 0.407 69.322 68.868 0.078 0.000 1.178 337 T HN 0.759 nan 8.240 nan 0.000 0.543 338 V N 1.384 121.375 119.914 0.128 0.000 2.277 338 V HA -0.269 3.851 4.120 -0.000 0.000 0.255 338 V C 2.344 178.440 176.094 0.002 0.000 1.074 338 V CA 2.056 64.335 62.300 -0.035 0.000 1.058 338 V CB -0.843 30.873 31.823 -0.179 0.000 0.656 338 V HN 0.729 nan 8.190 nan 0.000 0.449 339 c N -0.298 118.335 118.600 0.056 0.000 2.668 339 c HA 0.292 4.862 4.570 -0.000 0.000 0.301 339 c C 0.688 174.798 174.090 0.032 0.000 1.351 339 c CA -0.798 55.509 56.329 -0.036 0.000 1.757 339 c CB -1.231 41.110 42.510 -0.281 0.000 2.179 339 c HN 0.515 nan 8.230 nan 0.000 0.586 340 D N 1.351 121.797 120.400 0.076 0.000 2.428 340 D HA 0.237 4.877 4.640 -0.000 0.000 0.221 340 D C -1.579 174.734 176.300 0.023 0.000 1.123 340 D CA -1.991 52.048 54.000 0.066 0.000 0.869 340 D CB 1.269 42.127 40.800 0.096 0.000 1.032 340 D HN 0.073 nan 8.370 nan 0.000 0.506 341 P HA -0.069 nan 4.420 nan 0.000 0.221 341 P C 0.790 178.058 177.300 -0.055 0.000 1.145 341 P CA 0.782 63.839 63.100 -0.073 0.000 0.795 341 P CB 0.302 31.938 31.700 -0.106 0.000 0.775 342 A N -0.715 122.091 122.820 -0.023 0.000 2.067 342 A HA -0.002 4.318 4.320 -0.000 0.000 0.217 342 A C 2.028 179.615 177.584 0.004 0.000 1.156 342 A CA 0.997 53.025 52.037 -0.015 0.000 0.683 342 A CB -0.375 18.622 19.000 -0.006 0.000 0.808 342 A HN 0.097 nan 8.150 nan 0.000 0.455 343 R N -1.507 119.005 120.500 0.021 0.000 2.544 343 R HA 0.141 4.481 4.340 -0.000 0.000 0.303 343 R C 0.448 176.776 176.300 0.047 0.000 0.939 343 R CA 0.392 56.514 56.100 0.036 0.000 1.102 343 R CB 0.393 30.720 30.300 0.045 0.000 1.440 343 R HN 0.277 nan 8.270 nan 0.000 0.532 344 S N 1.867 117.594 115.700 0.045 0.000 3.900 344 S HA 0.163 4.633 4.470 -0.000 0.000 0.248 344 S C -0.000 174.647 174.600 0.078 0.000 1.310 344 S CA -0.492 57.736 58.200 0.047 0.000 0.915 344 S CB -0.815 62.404 63.200 0.031 0.000 1.588 344 S HN 0.403 nan 8.310 nan 0.000 0.472 345 c N 1.756 120.414 118.600 0.096 0.000 3.241 345 c HA 1.004 5.574 4.570 -0.000 0.000 0.312 345 c C -0.449 173.749 174.090 0.179 0.000 1.350 345 c CA -0.592 55.844 56.329 0.178 0.000 1.415 345 c CB 0.818 43.434 42.510 0.176 0.000 1.770 345 c HN 0.859 nan 8.230 nan 0.000 0.466 346 A N 1.541 124.488 122.820 0.211 0.000 2.549 346 A HA 0.824 5.144 4.320 -0.000 0.000 0.297 346 A C -1.451 176.076 177.584 -0.094 0.000 1.061 346 A CA -0.412 51.663 52.037 0.063 0.000 0.690 346 A CB 1.043 20.059 19.000 0.027 0.000 1.287 346 A HN 0.891 nan 8.150 nan 0.000 0.402 347 I N 1.355 121.844 120.570 -0.134 0.000 2.493 347 I HA 0.638 4.808 4.170 -0.000 0.000 0.298 347 I C -0.498 175.463 176.117 -0.260 0.000 0.998 347 I CA -0.875 60.271 61.300 -0.257 0.000 1.137 347 I CB 1.379 39.281 38.000 -0.163 0.000 1.310 347 I HN 0.325 nan 8.210 nan 0.000 0.445 348 V N 5.003 124.697 119.914 -0.366 0.000 2.623 348 V HA 0.311 4.431 4.120 -0.000 0.000 0.304 348 V C -0.148 175.837 176.094 -0.180 0.000 1.054 348 V CA -0.808 61.308 62.300 -0.306 0.000 0.882 348 V CB 2.328 33.811 31.823 -0.567 0.000 1.002 348 V HN 0.694 nan 8.190 nan 0.000 0.424 349 E N 2.707 122.850 120.200 -0.094 0.000 2.130 349 E HA 0.243 4.592 4.350 -0.000 0.000 0.284 349 E C -1.035 175.558 176.600 -0.012 0.000 1.018 349 E CA -0.521 55.843 56.400 -0.059 0.000 0.817 349 E CB 0.955 30.613 29.700 -0.070 0.000 1.078 349 E HN 0.731 nan 8.360 nan 0.000 0.396 350 D N 3.402 123.815 120.400 0.023 0.000 2.308 350 D HA 0.020 4.660 4.640 -0.000 0.000 0.251 350 D C -0.578 175.664 176.300 -0.097 0.000 1.127 350 D CA -0.108 53.922 54.000 0.049 0.000 0.876 350 D CB 0.791 41.655 40.800 0.107 0.000 1.176 350 D HN 0.418 nan 8.370 nan 0.000 0.446 351 D N 2.678 123.029 120.400 -0.083 0.000 2.865 351 D HA 0.384 5.023 4.640 -0.000 0.000 0.347 351 D C 0.519 176.737 176.300 -0.136 0.000 1.498 351 D CA -0.405 53.488 54.000 -0.178 0.000 0.787 351 D CB -0.103 40.582 40.800 -0.191 0.000 1.190 351 D HN 0.583 nan 8.370 nan 0.000 0.445 352 G N -0.000 108.786 108.800 -0.023 0.000 2.384 352 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.668 352 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.668 352 G C 0.394 175.356 174.900 0.104 0.000 1.280 352 G CA -0.443 44.687 45.100 0.050 0.000 0.992 352 G HN 0.142 nan 8.290 nan 0.000 0.512 353 L N 0.187 121.446 121.223 0.060 0.000 2.261 353 L HA -0.151 4.189 4.340 -0.000 0.000 0.216 353 L C 2.980 179.880 176.870 0.049 0.000 1.114 353 L CA 1.947 56.781 54.840 -0.010 0.000 0.777 353 L CB -0.419 41.638 42.059 -0.004 0.000 0.910 353 L HN 0.642 nan 8.230 nan 0.000 0.440 354 Q N -0.103 119.754 119.800 0.096 0.000 2.234 354 Q HA -0.177 4.163 4.340 -0.000 0.000 0.206 354 Q C 2.397 178.495 176.000 0.164 0.000 0.980 354 Q CA 1.676 57.582 55.803 0.172 0.000 0.869 354 Q CB -0.386 28.406 28.738 0.090 0.000 0.912 354 Q HN 0.618 nan 8.270 nan 0.000 0.436 355 S N -0.292 115.467 115.700 0.098 0.000 2.469 355 S HA -0.092 4.378 4.470 -0.000 0.000 0.238 355 S C 2.002 176.676 174.600 0.123 0.000 0.998 355 S CA 0.691 58.962 58.200 0.119 0.000 0.957 355 S CB -0.286 63.011 63.200 0.162 0.000 0.764 355 S HN 0.402 nan 8.310 nan 0.000 0.514 356 A N 1.356 124.190 122.820 0.023 0.000 1.902 356 A HA 0.107 4.426 4.320 -0.000 0.000 0.217 356 A C 1.863 179.389 177.584 -0.097 0.000 1.181 356 A CA 1.309 53.297 52.037 -0.082 0.000 0.623 356 A CB -1.107 17.730 19.000 -0.271 0.000 0.818 356 A HN 0.571 nan 8.150 nan 0.000 0.443 357 F N 0.804 120.787 119.950 0.054 0.000 2.171 357 F HA -0.155 4.372 4.527 -0.000 0.000 0.300 357 F C 2.735 178.574 175.800 0.065 0.000 1.090 357 F CA 1.680 59.699 58.000 0.031 0.000 1.293 357 F CB -0.727 38.261 39.000 -0.020 0.000 1.013 357 F HN 0.159 nan 8.300 nan 0.000 0.486 358 T N -0.250 114.433 114.554 0.216 0.000 2.788 358 T HA -0.207 4.143 4.350 -0.000 0.000 0.268 358 T C 2.219 177.018 174.700 0.165 0.000 1.044 358 T CA 1.202 63.386 62.100 0.139 0.000 1.139 358 T CB -0.578 68.334 68.868 0.073 0.000 0.867 358 T HN 0.330 nan 8.240 nan 0.000 0.454 359 A N 1.483 124.398 122.820 0.159 0.000 1.872 359 A HA 0.331 4.651 4.320 -0.000 0.000 0.214 359 A C 2.694 180.444 177.584 0.276 0.000 1.187 359 A CA 1.510 53.639 52.037 0.153 0.000 0.614 359 A CB -1.147 17.950 19.000 0.162 0.000 0.826 359 A HN 0.493 nan 8.150 nan 0.000 0.442 360 A N -0.794 122.223 122.820 0.328 0.000 1.902 360 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 360 A C 1.976 179.845 177.584 0.475 0.000 1.181 360 A CA 2.121 54.468 52.037 0.518 0.000 0.623 360 A CB -0.968 18.225 19.000 0.321 0.000 0.818 360 A HN 0.803 nan 8.150 nan 0.000 0.443 361 H N -0.607 118.606 119.070 0.238 0.000 2.290 361 H HA -0.165 4.391 4.556 -0.000 0.000 0.298 361 H C 2.245 177.748 175.328 0.291 0.000 1.087 361 H CA 2.189 58.360 56.048 0.205 0.000 1.291 361 H CB 0.054 29.907 29.762 0.151 0.000 1.369 361 H HN 0.392 nan 8.280 nan 0.000 0.492 362 Q N 0.321 120.397 119.800 0.459 0.000 2.079 362 Q HA -0.107 4.233 4.340 -0.000 0.000 0.200 362 Q C 2.696 178.887 176.000 0.318 0.000 0.974 362 Q CA 1.109 57.146 55.803 0.389 0.000 0.840 362 Q CB -0.316 28.560 28.738 0.229 0.000 0.898 362 Q HN 0.550 nan 8.270 nan 0.000 0.430 363 L N 0.043 121.481 121.223 0.357 0.000 2.275 363 L HA -0.100 4.240 4.340 -0.000 0.000 0.215 363 L C 2.232 179.487 176.870 0.641 0.000 1.119 363 L CA 0.900 55.980 54.840 0.401 0.000 0.790 363 L CB -0.692 41.587 42.059 0.367 0.000 0.919 363 L HN 0.279 nan 8.230 nan 0.000 0.443 364 G N -1.236 107.919 108.800 0.593 0.000 2.421 364 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.216 364 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.216 364 G C 1.377 176.347 174.900 0.117 0.000 1.171 364 G CA 0.339 45.655 45.100 0.361 0.000 0.775 364 G HN 0.359 nan 8.290 nan 0.000 0.543 365 H N -0.050 119.063 119.070 0.072 0.000 2.421 365 H HA -0.014 4.542 4.556 -0.000 0.000 0.298 365 H C 2.774 178.068 175.328 -0.056 0.000 1.087 365 H CA 1.169 57.193 56.048 -0.040 0.000 1.330 365 H CB -0.143 29.600 29.762 -0.031 0.000 1.388 365 H HN 0.201 nan 8.280 nan 0.000 0.526 366 V N 0.318 120.296 119.914 0.105 0.000 2.667 366 V HA -0.180 3.940 4.120 -0.000 0.000 0.252 366 V C 1.320 177.287 176.094 -0.211 0.000 1.065 366 V CA 1.098 63.362 62.300 -0.060 0.000 1.083 366 V CB -0.607 31.156 31.823 -0.101 0.000 0.692 366 V HN 0.188 nan 8.190 nan 0.000 0.468 367 F N 0.472 120.400 119.950 -0.036 0.000 2.757 367 F HA 0.247 4.774 4.527 -0.000 0.000 0.292 367 F C 1.303 176.805 175.800 -0.497 0.000 1.204 367 F CA 0.260 58.183 58.000 -0.129 0.000 1.417 367 F CB -0.804 38.225 39.000 0.048 0.000 1.001 367 F HN 0.220 nan 8.300 nan 0.000 0.508 368 N N -0.107 118.295 118.700 -0.497 0.000 2.828 368 N HA -0.236 4.504 4.740 -0.000 0.000 0.248 368 N C 0.090 175.427 175.510 -0.289 0.000 1.044 368 N CA 0.503 53.229 53.050 -0.541 0.000 0.851 368 N CB -0.829 37.030 38.487 -1.046 0.000 1.136 368 N HN 0.250 nan 8.380 nan 0.000 0.572 369 M N 0.340 119.800 119.600 -0.233 0.000 2.198 369 M HA 0.303 4.783 4.480 -0.000 0.000 0.315 369 M C 0.406 176.424 176.300 -0.469 0.000 1.134 369 M CA 0.235 55.327 55.300 -0.346 0.000 1.171 369 M CB 0.566 33.017 32.600 -0.248 0.000 1.413 369 M HN 0.075 nan 8.290 nan 0.000 0.467 370 L N -0.716 120.152 121.223 -0.593 0.000 2.283 370 L HA 0.460 4.800 4.340 -0.000 0.000 0.259 370 L C -0.530 176.182 176.870 -0.264 0.000 1.027 370 L CA -1.072 53.493 54.840 -0.459 0.000 0.828 370 L CB 1.641 43.372 42.059 -0.546 0.000 1.380 370 L HN 0.605 nan 8.230 nan 0.000 0.425 371 H N 0.433 119.445 119.070 -0.097 0.000 2.886 371 H HA -0.027 4.529 4.556 -0.000 0.000 0.329 371 H C -0.014 175.291 175.328 -0.038 0.000 1.044 371 H CA -0.495 55.538 56.048 -0.026 0.000 1.456 371 H CB 1.032 30.837 29.762 0.071 0.000 1.464 371 H HN 0.546 nan 8.280 nan 0.000 0.573 372 D N 2.027 122.495 120.400 0.113 0.000 2.322 372 D HA -0.180 4.459 4.640 -0.000 0.000 0.210 372 D C 1.533 177.877 176.300 0.073 0.000 0.983 372 D CA 1.027 55.070 54.000 0.072 0.000 0.902 372 D CB 0.042 40.892 40.800 0.085 0.000 0.905 372 D HN 0.692 nan 8.370 nan 0.000 0.483 373 N N 0.353 119.106 118.700 0.089 0.000 2.336 373 N HA -0.098 4.642 4.740 -0.000 0.000 0.189 373 N C 0.214 175.764 175.510 0.067 0.000 1.113 373 N CA -0.078 53.011 53.050 0.065 0.000 0.858 373 N CB 0.173 38.688 38.487 0.047 0.000 0.970 373 N HN -0.067 nan 8.380 nan 0.000 0.471 374 S N 0.335 116.078 115.700 0.072 0.000 2.603 374 S HA 0.215 4.685 4.470 -0.000 0.000 0.268 374 S C 1.061 175.690 174.600 0.047 0.000 1.317 374 S CA -0.664 57.565 58.200 0.049 0.000 1.012 374 S CB 1.670 64.879 63.200 0.015 0.000 0.926 374 S HN 0.131 nan 8.310 nan 0.000 0.539 375 K N 1.201 121.628 120.400 0.044 0.000 2.074 375 K HA -0.078 4.242 4.320 -0.000 0.000 0.209 375 K C -0.889 175.750 176.600 0.065 0.000 1.048 375 K CA 1.605 57.921 56.287 0.048 0.000 0.926 375 K CB -1.491 31.033 32.500 0.040 0.000 0.713 375 K HN 0.511 nan 8.250 nan 0.000 0.444 376 P HA -0.097 nan 4.420 nan 0.000 0.218 376 P C 0.880 178.272 177.300 0.154 0.000 1.149 376 P CA 1.069 64.255 63.100 0.144 0.000 0.817 376 P CB 0.054 31.907 31.700 0.256 0.000 0.785 377 c N -1.418 117.255 118.600 0.122 0.000 2.485 377 c HA 0.053 4.623 4.570 -0.000 0.000 0.277 377 c C 2.581 176.715 174.090 0.073 0.000 1.376 377 c CA 0.082 56.474 56.329 0.105 0.000 1.759 377 c CB -1.431 41.116 42.510 0.063 0.000 1.970 377 c HN 0.170 nan 8.230 nan 0.000 0.509 378 I N 1.447 122.054 120.570 0.061 0.000 2.208 378 I HA -0.161 4.009 4.170 -0.000 0.000 0.245 378 I C 2.450 178.595 176.117 0.045 0.000 1.097 378 I CA 1.590 62.919 61.300 0.048 0.000 1.363 378 I CB -1.530 36.494 38.000 0.040 0.000 1.051 378 I HN 0.265 nan 8.210 nan 0.000 0.413 379 S N 0.846 116.575 115.700 0.049 0.000 2.383 379 S HA -0.108 4.362 4.470 -0.000 0.000 0.229 379 S C 1.919 176.541 174.600 0.037 0.000 1.030 379 S CA 1.060 59.284 58.200 0.040 0.000 1.002 379 S CB -0.083 63.141 63.200 0.040 0.000 0.829 379 S HN 0.266 nan 8.310 nan 0.000 0.467 380 L N 1.676 122.929 121.223 0.049 0.000 2.221 380 L HA 0.176 4.516 4.340 -0.000 0.000 0.202 380 L C 1.892 178.782 176.870 0.034 0.000 1.074 380 L CA 1.149 56.014 54.840 0.041 0.000 0.795 380 L CB -1.685 40.410 42.059 0.060 0.000 0.960 380 L HN 0.222 nan 8.230 nan 0.000 0.458 381 N N 0.426 119.150 118.700 0.040 0.000 2.166 381 N HA -0.034 4.706 4.740 -0.000 0.000 0.186 381 N C 1.124 176.658 175.510 0.040 0.000 1.019 381 N CA 1.137 54.208 53.050 0.035 0.000 0.856 381 N CB 0.035 38.551 38.487 0.049 0.000 0.993 381 N HN 0.398 nan 8.380 nan 0.000 0.426 382 G N -0.434 108.388 108.800 0.037 0.000 2.541 382 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.686 382 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.686 382 G C -2.050 172.869 174.900 0.032 0.000 1.286 382 G CA -0.171 44.948 45.100 0.032 0.000 0.894 382 G HN 0.055 nan 8.290 nan 0.000 0.575 383 P HA 0.086 nan 4.420 nan 0.000 0.218 383 P C 1.241 178.554 177.300 0.021 0.000 1.152 383 P CA 0.767 63.879 63.100 0.021 0.000 0.826 383 P CB 0.166 31.876 31.700 0.016 0.000 0.790 384 L N 0.755 121.992 121.223 0.024 0.000 2.384 384 L HA 0.270 4.610 4.340 -0.000 0.000 0.258 384 L C 0.793 177.685 176.870 0.037 0.000 1.266 384 L CA -0.359 54.495 54.840 0.024 0.000 1.162 384 L CB -1.011 41.060 42.059 0.022 0.000 1.375 384 L HN -0.007 nan 8.230 nan 0.000 0.420 385 S N 1.234 116.955 115.700 0.036 0.000 2.438 385 S HA 0.584 5.053 4.470 -0.000 0.000 0.316 385 S C 0.431 175.047 174.600 0.025 0.000 1.084 385 S CA -0.628 57.605 58.200 0.055 0.000 1.107 385 S CB 0.664 63.899 63.200 0.058 0.000 0.981 385 S HN 0.399 nan 8.310 nan 0.000 0.466 386 T N -0.041 114.517 114.554 0.008 0.000 2.794 386 T HA 0.549 4.899 4.350 -0.000 0.000 0.280 386 T C 0.605 175.222 174.700 -0.139 0.000 0.987 386 T CA -0.230 61.824 62.100 -0.078 0.000 0.993 386 T CB 1.050 69.843 68.868 -0.126 0.000 0.939 386 T HN 0.752 nan 8.240 nan 0.000 0.449 387 S N 2.524 118.154 115.700 -0.118 0.000 2.930 387 S HA 0.115 4.585 4.470 -0.000 0.000 0.257 387 S C 0.699 175.163 174.600 -0.227 0.000 1.208 387 S CA -0.931 57.198 58.200 -0.117 0.000 1.233 387 S CB -0.410 62.747 63.200 -0.072 0.000 0.900 387 S HN 0.608 nan 8.310 nan 0.000 0.472 388 R N 2.089 122.342 120.500 -0.412 0.000 2.788 388 R HA 0.250 4.590 4.340 -0.000 0.000 0.264 388 R C -0.391 175.607 176.300 -0.504 0.000 1.267 388 R CA -0.001 55.850 56.100 -0.416 0.000 1.213 388 R CB -0.702 29.377 30.300 -0.368 0.000 1.256 388 R HN 0.595 nan 8.270 nan 0.000 0.556 389 H N -1.038 117.942 119.070 -0.151 0.000 2.679 389 H HA 0.159 4.715 4.556 -0.000 0.000 0.367 389 H C 1.564 176.769 175.328 -0.206 0.000 1.162 389 H CA -0.940 54.998 56.048 -0.183 0.000 1.181 389 H CB 2.071 31.769 29.762 -0.107 0.000 1.693 389 H HN -0.312 nan 8.280 nan 0.000 0.538 390 V N 1.205 121.004 119.914 -0.192 0.000 2.453 390 V HA -0.240 3.880 4.120 -0.000 0.000 0.252 390 V C 1.802 177.907 176.094 0.019 0.000 1.068 390 V CA 1.580 63.740 62.300 -0.234 0.000 1.070 390 V CB -0.366 31.001 31.823 -0.760 0.000 0.664 390 V HN 0.615 nan 8.190 nan 0.000 0.461 391 M N -0.276 119.332 119.600 0.013 0.000 2.493 391 M HA 0.368 4.848 4.480 -0.000 0.000 0.244 391 M C 0.744 177.127 176.300 0.137 0.000 1.182 391 M CA -0.522 54.799 55.300 0.035 0.000 0.981 391 M CB -0.802 31.762 32.600 -0.059 0.000 1.551 391 M HN 0.285 nan 8.290 nan 0.000 0.476 392 A N 2.489 125.368 122.820 0.097 0.000 2.488 392 A HA 0.308 4.628 4.320 -0.000 0.000 0.249 392 A C -0.994 176.550 177.584 -0.068 0.000 1.083 392 A CA -0.827 51.218 52.037 0.013 0.000 0.768 392 A CB -0.183 18.791 19.000 -0.043 0.000 1.017 392 A HN 0.226 nan 8.150 nan 0.000 0.496 393 P HA -0.073 nan 4.420 nan 0.000 0.219 393 P C 0.135 177.259 177.300 -0.293 0.000 1.146 393 P CA 1.177 64.012 63.100 -0.442 0.000 0.808 393 P CB -0.059 31.453 31.700 -0.312 0.000 0.779 394 V N 1.795 121.591 119.914 -0.196 0.000 2.444 394 V HA 0.226 4.346 4.120 -0.000 0.000 0.294 394 V C 0.577 176.565 176.094 -0.176 0.000 1.022 394 V CA -0.776 61.418 62.300 -0.176 0.000 0.850 394 V CB 1.498 33.237 31.823 -0.141 0.000 0.992 394 V HN -0.079 nan 8.190 nan 0.000 0.426 395 M N 3.884 123.371 119.600 -0.188 0.000 2.239 395 M HA 0.509 4.989 4.480 -0.000 0.000 0.348 395 M C 0.385 176.547 176.300 -0.230 0.000 1.239 395 M CA 0.698 55.882 55.300 -0.194 0.000 1.114 395 M CB 0.628 33.122 32.600 -0.177 0.000 1.641 395 M HN 0.890 nan 8.290 nan 0.000 0.453 396 A N 3.040 125.693 122.820 -0.278 0.000 3.886 396 A HA 0.524 4.844 4.320 -0.000 0.000 0.217 396 A C -0.797 176.545 177.584 -0.404 0.000 0.876 396 A CA -0.615 51.187 52.037 -0.392 0.000 0.726 396 A CB 0.432 19.212 19.000 -0.366 0.000 1.479 396 A HN 0.825 nan 8.150 nan 0.000 0.792 397 H N 0.385 119.331 119.070 -0.208 0.000 3.198 397 H HA 0.339 4.895 4.556 -0.000 0.000 0.255 397 H C -0.574 174.586 175.328 -0.280 0.000 1.729 397 H CA -0.377 55.533 56.048 -0.229 0.000 1.495 397 H CB -0.244 29.420 29.762 -0.164 0.000 1.807 397 H HN 0.220 nan 8.280 nan 0.000 0.554 398 V N 2.904 122.636 119.914 -0.304 0.000 2.452 398 V HA -0.154 3.966 4.120 -0.000 0.000 0.286 398 V C 0.861 176.808 176.094 -0.244 0.000 0.995 398 V CA 0.254 62.345 62.300 -0.348 0.000 1.116 398 V CB -0.224 31.269 31.823 -0.551 0.000 0.954 398 V HN 0.751 nan 8.190 nan 0.000 0.473 399 D N 9.355 129.628 120.400 -0.212 0.000 2.570 399 D HA -0.018 4.621 4.640 -0.000 0.000 0.243 399 D C -0.929 175.296 176.300 -0.126 0.000 1.171 399 D CA -1.398 52.512 54.000 -0.150 0.000 0.879 399 D CB 1.415 42.123 40.800 -0.155 0.000 1.143 399 D HN 0.326 nan 8.370 nan 0.000 0.511 400 P HA -0.072 nan 4.420 nan 0.000 0.233 400 P C 0.604 177.918 177.300 0.022 0.000 1.167 400 P CA 0.694 63.792 63.100 -0.004 0.000 0.770 400 P CB 0.541 32.269 31.700 0.045 0.000 0.837 401 E N 0.160 120.366 120.200 0.011 0.000 2.190 401 E HA -0.006 4.344 4.350 -0.000 0.000 0.191 401 E C 0.677 177.279 176.600 0.003 0.000 0.978 401 E CA 0.581 57.044 56.400 0.106 0.000 0.839 401 E CB 0.311 30.063 29.700 0.087 0.000 0.787 401 E HN 0.385 nan 8.360 nan 0.000 0.473 402 E N 0.439 120.570 120.200 -0.115 0.000 3.386 402 E HA 0.130 4.480 4.350 -0.000 0.000 0.236 402 E C -2.251 174.307 176.600 -0.070 0.000 1.227 402 E CA -1.641 54.723 56.400 -0.061 0.000 0.970 402 E CB 1.068 30.844 29.700 0.127 0.000 1.343 402 E HN -0.143 nan 8.360 nan 0.000 0.397 403 P HA -0.096 nan 4.420 nan 0.000 0.215 403 P C -0.438 176.610 177.300 -0.420 0.000 1.157 403 P CA 1.091 63.929 63.100 -0.435 0.000 0.863 403 P CB 0.132 31.412 31.700 -0.700 0.000 0.787 404 W N 0.183 121.414 121.300 -0.114 0.000 2.448 404 W HA 0.432 5.092 4.660 -0.000 0.000 0.339 404 W C 0.806 177.107 176.519 -0.364 0.000 1.124 404 W CA -0.556 56.673 57.345 -0.193 0.000 1.262 404 W CB 0.285 29.633 29.460 -0.187 0.000 1.251 404 W HN -0.215 nan 8.180 nan 0.000 0.597 405 S N 0.645 116.184 115.700 -0.268 0.000 2.713 405 S HA 0.425 4.895 4.470 -0.000 0.000 0.283 405 S C -1.953 172.559 174.600 -0.146 0.000 1.161 405 S CA -1.241 56.651 58.200 -0.514 0.000 0.999 405 S CB 1.665 64.546 63.200 -0.532 0.000 1.039 405 S HN 0.240 nan 8.310 nan 0.000 0.548 406 P HA -0.102 nan 4.420 nan 0.000 0.217 406 P C 1.601 178.906 177.300 0.008 0.000 1.151 406 P CA 0.921 64.006 63.100 -0.025 0.000 0.849 406 P CB -0.202 31.493 31.700 -0.009 0.000 0.787 407 c N -1.192 117.423 118.600 0.024 0.000 2.462 407 c HA -0.089 4.481 4.570 -0.000 0.000 0.278 407 c C 2.828 177.028 174.090 0.183 0.000 1.253 407 c CA 1.644 58.046 56.329 0.122 0.000 1.713 407 c CB -1.532 41.054 42.510 0.127 0.000 2.049 407 c HN 0.188 nan 8.230 nan 0.000 0.477 408 S N 1.292 117.042 115.700 0.083 0.000 2.353 408 S HA -0.149 4.321 4.470 -0.000 0.000 0.222 408 S C 2.236 176.847 174.600 0.018 0.000 1.035 408 S CA 1.641 59.879 58.200 0.063 0.000 1.025 408 S CB -0.879 62.391 63.200 0.116 0.000 0.902 408 S HN 0.851 nan 8.310 nan 0.000 0.440 409 A N 1.869 124.673 122.820 -0.026 0.000 1.948 409 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 409 A C 2.095 179.655 177.584 -0.040 0.000 1.177 409 A CA 2.151 54.137 52.037 -0.086 0.000 0.636 409 A CB -0.602 18.364 19.000 -0.057 0.000 0.815 409 A HN 0.349 nan 8.150 nan 0.000 0.449 410 R N -1.038 119.466 120.500 0.007 0.000 2.073 410 R HA -0.049 4.291 4.340 -0.000 0.000 0.234 410 R C 1.673 177.944 176.300 -0.048 0.000 1.134 410 R CA 1.817 57.897 56.100 -0.034 0.000 0.952 410 R CB -0.975 29.288 30.300 -0.061 0.000 0.850 410 R HN 0.461 nan 8.270 nan 0.000 0.433 411 F N 0.009 119.928 119.950 -0.051 0.000 2.146 411 F HA -0.056 4.470 4.527 -0.000 0.000 0.298 411 F C 2.275 178.070 175.800 -0.008 0.000 1.096 411 F CA 1.499 59.474 58.000 -0.041 0.000 1.275 411 F CB -0.318 38.638 39.000 -0.073 0.000 1.008 411 F HN 0.045 nan 8.300 nan 0.000 0.480 412 I N -0.523 120.132 120.570 0.141 0.000 2.493 412 I HA -0.269 3.901 4.170 -0.000 0.000 0.254 412 I C 1.943 178.124 176.117 0.107 0.000 1.160 412 I CA 1.345 62.709 61.300 0.107 0.000 1.445 412 I CB -0.285 37.647 38.000 -0.112 0.000 1.086 412 I HN 0.156 nan 8.210 nan 0.000 0.433 413 T N 0.202 114.775 114.554 0.032 0.000 2.737 413 T HA -0.152 4.198 4.350 -0.000 0.000 0.265 413 T C 1.484 176.212 174.700 0.047 0.000 1.038 413 T CA 1.422 63.532 62.100 0.016 0.000 1.144 413 T CB -0.321 68.532 68.868 -0.025 0.000 0.866 413 T HN 0.331 nan 8.240 nan 0.000 0.434 414 D N 0.470 120.888 120.400 0.029 0.000 2.123 414 D HA -0.040 4.600 4.640 -0.000 0.000 0.196 414 D C 1.673 178.050 176.300 0.128 0.000 0.992 414 D CA 0.774 54.790 54.000 0.027 0.000 0.833 414 D CB -0.447 40.311 40.800 -0.071 0.000 0.954 414 D HN 0.350 nan 8.370 nan 0.000 0.455 415 F N 0.665 120.620 119.950 0.008 0.000 2.102 415 F HA -0.138 4.389 4.527 -0.000 0.000 0.298 415 F C 2.230 178.128 175.800 0.164 0.000 1.105 415 F CA 0.917 58.941 58.000 0.040 0.000 1.239 415 F CB 0.097 39.161 39.000 0.106 0.000 0.991 415 F HN -0.091 nan 8.300 nan 0.000 0.474 416 L N -0.514 120.830 121.223 0.201 0.000 2.109 416 L HA -0.178 4.162 4.340 -0.000 0.000 0.207 416 L C 1.903 178.819 176.870 0.077 0.000 1.086 416 L CA 0.938 55.849 54.840 0.118 0.000 0.760 416 L CB -0.721 41.406 42.059 0.114 0.000 0.910 416 L HN 0.039 nan 8.230 nan 0.000 0.437 417 D N 0.258 120.699 120.400 0.069 0.000 2.149 417 D HA -0.164 4.476 4.640 -0.000 0.000 0.198 417 D C 1.785 178.117 176.300 0.054 0.000 0.990 417 D CA 1.050 55.077 54.000 0.045 0.000 0.839 417 D CB -0.267 40.550 40.800 0.029 0.000 0.948 417 D HN 0.213 nan 8.370 nan 0.000 0.460 418 N N -0.291 118.467 118.700 0.096 0.000 2.512 418 N HA 0.051 4.791 4.740 -0.000 0.000 0.183 418 N C 1.057 176.630 175.510 0.105 0.000 1.073 418 N CA 1.086 54.226 53.050 0.149 0.000 0.911 418 N CB 0.339 38.986 38.487 0.265 0.000 0.964 418 N HN 0.246 nan 8.380 nan 0.000 0.447 419 G N -0.534 108.300 108.800 0.057 0.000 2.164 419 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.212 419 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.212 419 G C 0.247 175.032 174.900 -0.193 0.000 1.031 419 G CA -0.125 44.935 45.100 -0.068 0.000 0.730 419 G HN 0.434 nan 8.290 nan 0.000 0.501 420 Y N -0.351 119.807 120.300 -0.237 0.000 2.478 420 Y HA 0.341 4.891 4.550 -0.000 0.000 0.261 420 Y C 2.397 178.229 175.900 -0.113 0.000 1.127 420 Y CA 0.744 58.627 58.100 -0.362 0.000 1.288 420 Y CB 0.997 38.736 38.460 -1.202 0.000 1.084 420 Y HN 0.382 nan 8.280 nan 0.000 0.530 421 G N -0.505 108.356 108.800 0.101 0.000 3.949 421 G HA2 0.003 3.963 3.960 -0.000 0.000 0.295 421 G HA3 0.003 3.963 3.960 -0.000 0.000 0.295 421 G C 0.777 175.742 174.900 0.108 0.000 1.286 421 G CA -0.213 44.964 45.100 0.128 0.000 1.171 421 G HN 0.432 nan 8.290 nan 0.000 0.586 422 H N -0.748 118.299 119.070 -0.038 0.000 2.321 422 H HA -0.167 4.389 4.556 -0.000 0.000 0.300 422 H C 2.435 177.760 175.328 -0.005 0.000 1.087 422 H CA 1.417 57.443 56.048 -0.038 0.000 1.319 422 H CB -1.357 28.354 29.762 -0.086 0.000 1.379 422 H HN 0.452 nan 8.280 nan 0.000 0.501 423 c N 0.602 118.939 118.600 -0.440 0.000 2.539 423 c HA 0.240 4.810 4.570 -0.000 0.000 0.271 423 c C 1.989 176.037 174.090 -0.070 0.000 1.412 423 c CA -0.436 55.731 56.329 -0.271 0.000 1.729 423 c CB -1.633 40.650 42.510 -0.378 0.000 1.739 423 c HN 0.246 nan 8.230 nan 0.000 0.570 424 L N 0.584 121.804 121.223 -0.006 0.000 2.612 424 L HA 0.311 4.651 4.340 -0.000 0.000 0.230 424 L C 2.018 178.986 176.870 0.163 0.000 1.140 424 L CA 1.046 55.948 54.840 0.103 0.000 0.896 424 L CB -0.576 41.567 42.059 0.140 0.000 1.065 424 L HN 0.394 nan 8.230 nan 0.000 0.447 425 L N -0.798 120.496 121.223 0.119 0.000 2.477 425 L HA 0.081 4.421 4.340 -0.000 0.000 0.220 425 L C 0.424 177.383 176.870 0.147 0.000 1.106 425 L CA -0.073 54.856 54.840 0.149 0.000 0.851 425 L CB -0.055 42.057 42.059 0.088 0.000 0.994 425 L HN 0.303 nan 8.230 nan 0.000 0.462 426 D N 0.573 121.021 120.400 0.079 0.000 2.210 426 D HA 0.110 4.750 4.640 -0.000 0.000 0.249 426 D C -0.286 175.938 176.300 -0.125 0.000 1.078 426 D CA -0.450 53.539 54.000 -0.018 0.000 0.875 426 D CB 1.310 42.086 40.800 -0.041 0.000 1.175 426 D HN -0.099 nan 8.370 nan 0.000 0.440 427 K N 2.069 122.264 120.400 -0.342 0.000 2.382 427 K HA 0.227 4.547 4.320 -0.000 0.000 0.275 427 K C -2.151 174.270 176.600 -0.297 0.000 1.009 427 K CA -1.133 54.779 56.287 -0.626 0.000 0.970 427 K CB 0.520 32.657 32.500 -0.606 0.000 0.934 427 K HN 0.385 nan 8.250 nan 0.000 0.479 428 P HA 0.102 nan 4.420 nan 0.000 0.281 428 P C -0.041 177.206 177.300 -0.089 0.000 1.249 428 P CA -0.385 62.657 63.100 -0.095 0.000 0.810 428 P CB 1.100 32.783 31.700 -0.028 0.000 1.008 429 E N 1.672 121.844 120.200 -0.046 0.000 2.028 429 E HA -0.002 4.348 4.350 -0.000 0.000 0.190 429 E C 0.010 176.595 176.600 -0.024 0.000 0.984 429 E CA 0.768 57.145 56.400 -0.037 0.000 0.800 429 E CB -0.027 29.661 29.700 -0.020 0.000 0.758 429 E HN 0.496 nan 8.360 nan 0.000 0.448 430 A N 1.933 124.749 122.820 -0.006 0.000 3.156 430 A HA 0.324 4.644 4.320 -0.000 0.000 0.311 430 A C -2.601 174.992 177.584 0.016 0.000 1.129 430 A CA -1.141 50.899 52.037 0.005 0.000 0.809 430 A CB 0.488 19.495 19.000 0.013 0.000 1.257 430 A HN 0.109 nan 8.150 nan 0.000 0.491 431 P HA 0.423 nan 4.420 nan 0.000 0.277 431 P C -0.153 177.164 177.300 0.028 0.000 1.240 431 P CA -0.294 62.821 63.100 0.024 0.000 0.798 431 P CB 0.876 32.589 31.700 0.022 0.000 0.979 432 L N 2.145 123.393 121.223 0.041 0.000 2.456 432 L HA 0.062 4.402 4.340 -0.000 0.000 0.272 432 L C 1.402 178.315 176.870 0.071 0.000 1.189 432 L CA -0.155 54.722 54.840 0.062 0.000 0.846 432 L CB -0.280 41.813 42.059 0.056 0.000 1.111 432 L HN 0.486 nan 8.230 nan 0.000 0.475 433 H N 4.822 123.903 119.070 0.017 0.000 3.017 433 H HA 0.188 4.744 4.556 -0.000 0.000 0.276 433 H C -0.415 174.920 175.328 0.010 0.000 1.062 433 H CA -0.130 55.926 56.048 0.014 0.000 1.486 433 H CB 0.365 30.133 29.762 0.009 0.000 1.507 433 H HN 0.371 nan 8.280 nan 0.000 0.508 434 L N 8.035 129.318 121.223 0.100 0.000 2.397 434 L HA 0.209 4.549 4.340 -0.000 0.000 0.271 434 L C -1.636 175.343 176.870 0.182 0.000 1.148 434 L CA -1.945 52.956 54.840 0.103 0.000 0.825 434 L CB 0.715 42.795 42.059 0.036 0.000 1.117 434 L HN 0.509 nan 8.230 nan 0.000 0.456 435 P HA -0.035 nan 4.420 nan 0.000 0.268 435 P C 0.461 177.787 177.300 0.043 0.000 1.204 435 P CA -0.107 63.041 63.100 0.079 0.000 0.768 435 P CB 1.090 32.813 31.700 0.039 0.000 0.842 436 V N 0.233 120.163 119.914 0.027 0.000 3.647 436 V HA 0.054 4.174 4.120 -0.000 0.000 0.279 436 V C 1.122 177.121 176.094 -0.157 0.000 1.314 436 V CA 0.794 63.067 62.300 -0.044 0.000 1.125 436 V CB -1.188 30.628 31.823 -0.012 0.000 0.907 436 V HN 0.639 nan 8.190 nan 0.000 0.434 437 T N -1.394 113.090 114.554 -0.116 0.000 2.773 437 T HA 0.424 4.774 4.350 -0.000 0.000 0.337 437 T C -0.312 174.264 174.700 -0.206 0.000 1.086 437 T CA -0.051 61.959 62.100 -0.151 0.000 0.998 437 T CB 0.458 69.305 68.868 -0.033 0.000 1.281 437 T HN 0.166 nan 8.240 nan 0.000 0.525 438 F N 1.002 120.981 119.950 0.048 0.000 2.425 438 F HA 0.470 4.997 4.527 -0.000 0.000 0.331 438 F C -1.524 174.323 175.800 0.079 0.000 1.085 438 F CA -2.474 55.564 58.000 0.063 0.000 1.028 438 F CB 1.668 40.707 39.000 0.066 0.000 1.177 438 F HN 0.361 nan 8.300 nan 0.000 0.487 439 P HA -0.053 nan 4.420 nan 0.000 0.218 439 P C 1.595 179.058 177.300 0.273 0.000 1.149 439 P CA 1.368 64.632 63.100 0.273 0.000 0.817 439 P CB 0.169 31.994 31.700 0.208 0.000 0.785 440 G N -0.110 108.827 108.800 0.228 0.000 2.443 440 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.219 440 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.219 440 G C 1.605 176.597 174.900 0.154 0.000 1.131 440 G CA 0.637 45.836 45.100 0.165 0.000 0.775 440 G HN 0.186 nan 8.290 nan 0.000 0.547 441 K N 0.632 121.144 120.400 0.188 0.000 2.005 441 K HA -0.007 4.312 4.320 -0.000 0.000 0.206 441 K C 2.146 178.773 176.600 0.046 0.000 1.044 441 K CA 0.912 57.275 56.287 0.126 0.000 0.942 441 K CB -0.597 31.997 32.500 0.157 0.000 0.727 441 K HN 0.058 nan 8.250 nan 0.000 0.439 442 D N -0.013 120.406 120.400 0.031 0.000 2.191 442 D HA -0.188 4.452 4.640 -0.000 0.000 0.190 442 D C 0.089 176.129 176.300 -0.434 0.000 1.007 442 D CA 1.603 55.493 54.000 -0.183 0.000 0.865 442 D CB -0.093 40.677 40.800 -0.050 0.000 0.929 442 D HN 0.198 nan 8.370 nan 0.000 0.447 443 Y N 0.145 120.491 120.300 0.077 0.000 2.331 443 Y HA 0.201 4.751 4.550 -0.000 0.000 0.326 443 Y C 0.067 175.986 175.900 0.033 0.000 1.020 443 Y CA -1.533 56.606 58.100 0.065 0.000 1.136 443 Y CB 1.286 39.804 38.460 0.096 0.000 1.157 443 Y HN -0.183 nan 8.280 nan 0.000 0.444 444 D N 1.317 121.786 120.400 0.115 0.000 2.380 444 D HA 0.153 4.793 4.640 -0.000 0.000 0.254 444 D C 1.303 177.574 176.300 -0.049 0.000 1.288 444 D CA 0.093 54.109 54.000 0.026 0.000 1.008 444 D CB 0.486 41.286 40.800 0.000 0.000 1.099 444 D HN 0.499 nan 8.370 nan 0.000 0.537 445 A N -0.295 122.392 122.820 -0.221 0.000 1.933 445 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 445 A C 1.717 179.145 177.584 -0.261 0.000 1.175 445 A CA 1.823 53.559 52.037 -0.502 0.000 0.628 445 A CB -0.733 17.561 19.000 -1.177 0.000 0.814 445 A HN 0.548 nan 8.150 nan 0.000 0.444 446 D N -0.434 119.907 120.400 -0.098 0.000 2.084 446 D HA -0.122 4.518 4.640 -0.000 0.000 0.194 446 D C 2.234 178.557 176.300 0.039 0.000 0.990 446 D CA 1.006 55.011 54.000 0.009 0.000 0.826 446 D CB -0.246 40.569 40.800 0.026 0.000 0.971 446 D HN 0.206 nan 8.370 nan 0.000 0.453 447 R N 0.541 121.081 120.500 0.067 0.000 2.081 447 R HA -0.072 4.268 4.340 -0.000 0.000 0.235 447 R C 2.343 178.708 176.300 0.108 0.000 1.131 447 R CA 0.901 57.085 56.100 0.140 0.000 0.960 447 R CB -0.743 29.733 30.300 0.292 0.000 0.856 447 R HN 0.436 nan 8.270 nan 0.000 0.436 448 Q N -0.273 119.568 119.800 0.069 0.000 2.096 448 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 448 Q C 2.391 178.415 176.000 0.041 0.000 0.982 448 Q CA 1.744 57.565 55.803 0.029 0.000 0.850 448 Q CB -0.288 28.440 28.738 -0.015 0.000 0.901 448 Q HN 0.307 nan 8.270 nan 0.000 0.422 449 c N 0.487 119.123 118.600 0.060 0.000 2.425 449 c HA -0.148 4.422 4.570 -0.000 0.000 0.277 449 c C 2.521 176.716 174.090 0.176 0.000 1.280 449 c CA 0.850 57.273 56.329 0.157 0.000 1.744 449 c CB -0.709 41.897 42.510 0.160 0.000 1.989 449 c HN 0.541 nan 8.230 nan 0.000 0.491 450 Q N 0.041 119.908 119.800 0.113 0.000 2.119 450 Q HA -0.074 4.266 4.340 -0.000 0.000 0.201 450 Q C 2.048 178.125 176.000 0.129 0.000 0.972 450 Q CA 1.172 57.031 55.803 0.093 0.000 0.847 450 Q CB -0.177 28.581 28.738 0.033 0.000 0.903 450 Q HN 0.657 nan 8.270 nan 0.000 0.433 451 L N -0.155 121.128 121.223 0.101 0.000 2.275 451 L HA -0.124 4.216 4.340 -0.000 0.000 0.215 451 L C 1.978 178.856 176.870 0.013 0.000 1.119 451 L CA 0.892 55.795 54.840 0.104 0.000 0.790 451 L CB -0.198 41.877 42.059 0.027 0.000 0.919 451 L HN 0.246 nan 8.230 nan 0.000 0.443 452 T N -1.314 113.212 114.554 -0.047 0.000 2.904 452 T HA 0.041 4.391 4.350 -0.000 0.000 0.243 452 T C 1.076 175.548 174.700 -0.380 0.000 1.024 452 T CA 0.899 62.811 62.100 -0.313 0.000 1.158 452 T CB -0.098 68.471 68.868 -0.498 0.000 0.867 452 T HN 0.100 nan 8.240 nan 0.000 0.429 453 F N 1.203 121.192 119.950 0.065 0.000 2.653 453 F HA 0.521 5.048 4.527 -0.000 0.000 0.304 453 F C 1.368 177.227 175.800 0.098 0.000 1.092 453 F CA -0.099 57.939 58.000 0.063 0.000 1.279 453 F CB 0.478 39.498 39.000 0.032 0.000 1.044 453 F HN 0.392 nan 8.300 nan 0.000 0.564 454 G N 0.787 109.756 108.800 0.281 0.000 2.612 454 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.686 454 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.686 454 G C -2.457 172.457 174.900 0.023 0.000 1.274 454 G CA -1.010 44.180 45.100 0.150 0.000 0.849 454 G HN -0.088 nan 8.290 nan 0.000 0.595 455 P HA 0.081 nan 4.420 nan 0.000 0.223 455 P C 1.032 178.312 177.300 -0.034 0.000 1.151 455 P CA 1.391 64.419 63.100 -0.119 0.000 0.787 455 P CB 0.153 31.735 31.700 -0.197 0.000 0.788 456 D N -1.269 119.131 120.400 -0.000 0.000 2.323 456 D HA 0.014 4.654 4.640 -0.000 0.000 0.209 456 D C 0.773 177.111 176.300 0.064 0.000 0.973 456 D CA 0.621 54.641 54.000 0.033 0.000 0.874 456 D CB 0.006 40.833 40.800 0.046 0.000 0.930 456 D HN 0.104 nan 8.370 nan 0.000 0.521 457 S N 0.238 115.984 115.700 0.076 0.000 2.585 457 S HA 0.262 4.732 4.470 -0.000 0.000 0.273 457 S C 0.211 174.852 174.600 0.069 0.000 1.339 457 S CA -0.225 58.023 58.200 0.080 0.000 1.028 457 S CB 0.895 64.184 63.200 0.147 0.000 0.906 457 S HN -0.021 nan 8.310 nan 0.000 0.528 458 R N 1.267 121.798 120.500 0.052 0.000 2.836 458 R HA 0.271 4.611 4.340 -0.000 0.000 0.269 458 R C -1.256 175.094 176.300 0.083 0.000 1.010 458 R CA -0.824 55.312 56.100 0.060 0.000 0.930 458 R CB 0.660 30.981 30.300 0.036 0.000 1.218 458 R HN 0.811 nan 8.270 nan 0.000 0.473 459 H N 0.169 119.221 119.070 -0.030 0.000 2.819 459 H HA 0.159 4.715 4.556 -0.000 0.000 0.303 459 H C -0.471 174.838 175.328 -0.031 0.000 1.058 459 H CA -0.236 55.778 56.048 -0.057 0.000 1.471 459 H CB 0.339 30.015 29.762 -0.143 0.000 1.480 459 H HN 0.400 nan 8.280 nan 0.000 0.517 460 c N 10.112 128.518 118.600 -0.324 0.000 2.428 460 c HA 0.103 4.673 4.570 -0.000 0.000 0.362 460 c C -0.968 172.716 174.090 -0.676 0.000 1.114 460 c CA -0.953 55.174 56.329 -0.337 0.000 1.473 460 c CB -0.464 41.964 42.510 -0.137 0.000 2.003 460 c HN 0.804 nan 8.230 nan 0.000 0.526 461 P HA -0.150 nan 4.420 nan 0.000 0.221 461 P C 1.665 178.925 177.300 -0.067 0.000 1.155 461 P CA 1.317 64.176 63.100 -0.400 0.000 0.812 461 P CB 0.052 31.722 31.700 -0.051 0.000 0.801 462 Q N 0.261 120.007 119.800 -0.089 0.000 2.297 462 Q HA -0.115 4.225 4.340 -0.000 0.000 0.208 462 Q C 0.533 176.515 176.000 -0.029 0.000 0.981 462 Q CA 0.882 56.660 55.803 -0.041 0.000 0.876 462 Q CB -1.462 27.231 28.738 -0.076 0.000 0.921 462 Q HN 0.246 nan 8.270 nan 0.000 0.446 463 L N 4.044 125.234 121.223 -0.055 0.000 2.456 463 L HA 0.200 4.540 4.340 -0.000 0.000 0.277 463 L C -2.072 174.827 176.870 0.048 0.000 1.124 463 L CA -1.153 53.634 54.840 -0.088 0.000 0.880 463 L CB 0.352 42.227 42.059 -0.306 0.000 1.192 463 L HN 0.061 nan 8.230 nan 0.000 0.463 464 P HA 0.282 nan 4.420 nan 0.000 0.276 464 P C -2.420 174.886 177.300 0.010 0.000 1.244 464 P CA -1.220 61.883 63.100 0.005 0.000 0.801 464 P CB -0.210 31.481 31.700 -0.015 0.000 1.006 465 P HA 0.315 nan 4.420 nan 0.000 0.275 465 P C -2.657 174.569 177.300 -0.123 0.000 1.228 465 P CA -1.486 61.580 63.100 -0.058 0.000 0.786 465 P CB -0.689 30.965 31.700 -0.076 0.000 0.927 466 P HA 0.125 nan 4.420 nan 0.000 0.275 466 P C 0.082 176.881 177.300 -0.835 0.000 1.228 466 P CA -0.160 62.639 63.100 -0.502 0.000 0.786 466 P CB 0.215 31.728 31.700 -0.311 0.000 0.927 467 c N 0.650 118.158 118.600 -1.821 0.000 5.824 467 c HA -0.214 4.356 4.570 -0.000 0.000 0.298 467 c C 2.343 175.949 174.090 -0.808 0.000 2.179 467 c CA 1.083 56.557 56.329 -1.425 0.000 1.933 467 c CB -2.467 39.663 42.510 -0.634 0.000 2.949 467 c HN 0.707 nan 8.230 nan 0.000 0.415 468 A N 0.224 122.732 122.820 -0.520 0.000 1.873 468 A HA 0.472 4.792 4.320 -0.000 0.000 0.215 468 A C 0.975 178.544 177.584 -0.025 0.000 1.186 468 A CA 2.309 54.207 52.037 -0.232 0.000 0.616 468 A CB -0.285 18.630 19.000 -0.141 0.000 0.823 468 A HN 2.098 nan 8.150 nan 0.000 0.442 469 A N -1.550 121.358 122.820 0.145 0.000 2.455 469 A HA 0.598 4.918 4.320 -0.000 0.000 0.300 469 A C -1.044 176.842 177.584 0.503 0.000 1.040 469 A CA -0.549 51.633 52.037 0.242 0.000 0.697 469 A CB 0.868 19.939 19.000 0.118 0.000 1.265 469 A HN 0.577 nan 8.150 nan 0.000 0.407 470 L N 2.038 123.466 121.223 0.342 0.000 2.325 470 L HA 0.503 4.843 4.340 -0.000 0.000 0.284 470 L C -1.210 175.692 176.870 0.055 0.000 1.089 470 L CA 0.177 55.189 54.840 0.288 0.000 0.836 470 L CB -0.323 41.830 42.059 0.156 0.000 1.184 470 L HN 0.626 nan 8.230 nan 0.000 0.444 471 W N 5.141 126.578 121.300 0.229 0.000 2.349 471 W HA 0.542 5.202 4.660 -0.000 0.000 0.309 471 W C -0.381 176.147 176.519 0.016 0.000 1.083 471 W CA -0.311 57.074 57.345 0.068 0.000 1.224 471 W CB 1.336 30.798 29.460 0.004 0.000 1.256 471 W HN 0.449 nan 8.180 nan 0.000 0.461 472 c N 2.203 120.873 118.600 0.115 0.000 2.614 472 c HA 0.687 5.257 4.570 -0.000 0.000 0.320 472 c C 0.614 174.614 174.090 -0.151 0.000 1.200 472 c CA -0.857 55.473 56.329 0.002 0.000 1.700 472 c CB 1.159 43.702 42.510 0.055 0.000 2.275 472 c HN 0.681 nan 8.230 nan 0.000 0.492 473 S N 1.132 116.762 115.700 -0.115 0.000 2.632 473 S HA 0.881 5.351 4.470 -0.000 0.000 0.267 473 S C -0.023 174.437 174.600 -0.233 0.000 1.276 473 S CA 0.209 58.308 58.200 -0.167 0.000 0.998 473 S CB 1.384 64.510 63.200 -0.124 0.000 0.953 473 S HN 1.493 nan 8.310 nan 0.000 0.547 474 G N 0.194 108.801 108.800 -0.323 0.000 2.570 474 G HA2 0.576 4.536 3.960 -0.000 0.000 0.310 474 G HA3 0.576 4.536 3.960 -0.000 0.000 0.310 474 G C -2.238 172.305 174.900 -0.595 0.000 1.266 474 G CA -0.874 44.044 45.100 -0.302 0.000 0.825 474 G HN 0.849 nan 8.290 nan 0.000 0.483 475 H N -0.552 118.501 119.070 -0.027 0.000 2.934 475 H HA 0.436 4.991 4.556 -0.000 0.000 0.340 475 H C 0.572 175.896 175.328 -0.007 0.000 1.008 475 H CA -0.605 55.437 56.048 -0.011 0.000 1.317 475 H CB 2.221 31.970 29.762 -0.022 0.000 1.670 475 H HN 0.427 nan 8.280 nan 0.000 0.516 476 L N 2.174 123.452 121.223 0.092 0.000 2.162 476 L HA 0.134 4.474 4.340 -0.000 0.000 0.205 476 L C 0.468 177.375 176.870 0.062 0.000 1.086 476 L CA 1.851 56.730 54.840 0.065 0.000 0.778 476 L CB 0.095 42.185 42.059 0.052 0.000 0.928 476 L HN 0.577 nan 8.230 nan 0.000 0.446 477 N N -0.880 117.861 118.700 0.068 0.000 2.181 477 N HA 0.355 5.095 4.740 -0.000 0.000 0.207 477 N C 0.501 175.953 175.510 -0.096 0.000 1.182 477 N CA 0.665 53.718 53.050 0.006 0.000 0.893 477 N CB 1.181 39.700 38.487 0.052 0.000 1.032 477 N HN 0.275 nan 8.380 nan 0.000 0.513 478 G N 0.410 109.178 108.800 -0.054 0.000 2.173 478 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.174 478 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.174 478 G C -0.830 173.942 174.900 -0.214 0.000 1.025 478 G CA -0.539 44.463 45.100 -0.163 0.000 0.706 478 G HN 0.506 nan 8.290 nan 0.000 0.499 479 H N -0.486 118.695 119.070 0.186 0.000 2.771 479 H HA 0.656 5.212 4.556 -0.000 0.000 0.361 479 H C 0.499 175.864 175.328 0.063 0.000 1.108 479 H CA -0.351 55.776 56.048 0.131 0.000 1.201 479 H CB 1.840 31.633 29.762 0.051 0.000 1.681 479 H HN 0.639 nan 8.280 nan 0.000 0.534 480 A N 3.695 126.592 122.820 0.128 0.000 2.466 480 A HA 0.438 4.758 4.320 -0.000 0.000 0.238 480 A C 0.226 177.744 177.584 -0.109 0.000 1.074 480 A CA 0.177 52.135 52.037 -0.131 0.000 0.774 480 A CB -0.139 18.811 19.000 -0.084 0.000 1.015 480 A HN 0.771 nan 8.150 nan 0.000 0.498 481 M N 0.081 119.575 119.600 -0.177 0.000 2.924 481 M HA 0.691 5.170 4.480 -0.000 0.000 0.271 481 M C -1.569 174.665 176.300 -0.110 0.000 1.280 481 M CA -0.714 54.520 55.300 -0.111 0.000 0.813 481 M CB 1.760 34.308 32.600 -0.086 0.000 1.658 481 M HN 0.427 nan 8.290 nan 0.000 0.467 482 c N 1.068 119.645 118.600 -0.038 0.000 2.396 482 c HA 0.636 5.206 4.570 -0.000 0.000 0.321 482 c C -0.563 173.637 174.090 0.184 0.000 1.233 482 c CA -0.379 55.988 56.329 0.063 0.000 1.440 482 c CB 1.671 44.233 42.510 0.088 0.000 2.110 482 c HN 0.837 nan 8.230 nan 0.000 0.473 483 Q N 0.695 120.463 119.800 -0.052 0.000 2.226 483 Q HA 0.755 5.095 4.340 -0.000 0.000 0.256 483 Q C -0.298 175.453 176.000 -0.416 0.000 0.962 483 Q CA -0.151 55.466 55.803 -0.309 0.000 0.887 483 Q CB 2.167 30.341 28.738 -0.941 0.000 1.282 483 Q HN 0.743 nan 8.270 nan 0.000 0.449 484 T N 0.128 114.343 114.554 -0.565 0.000 2.982 484 T HA 0.276 4.626 4.350 -0.000 0.000 0.321 484 T C -0.770 173.710 174.700 -0.366 0.000 1.229 484 T CA -0.613 61.084 62.100 -0.672 0.000 1.044 484 T CB 0.922 68.766 68.868 -1.707 0.000 1.184 484 T HN 0.510 nan 8.240 nan 0.000 0.477 485 K N 2.071 122.393 120.400 -0.130 0.000 2.500 485 K HA 0.166 4.486 4.320 -0.000 0.000 0.206 485 K C 0.291 176.858 176.600 -0.056 0.000 1.034 485 K CA -0.112 56.133 56.287 -0.071 0.000 1.179 485 K CB -0.125 32.339 32.500 -0.060 0.000 0.884 485 K HN 0.816 nan 8.250 nan 0.000 0.493 486 H N -1.195 117.784 119.070 -0.151 0.000 3.580 486 H HA -0.212 4.344 4.556 -0.000 0.000 0.224 486 H C 0.148 175.461 175.328 -0.024 0.000 1.047 486 H CA 1.024 57.009 56.048 -0.106 0.000 1.204 486 H CB -1.461 28.246 29.762 -0.092 0.000 1.193 486 H HN 0.333 nan 8.280 nan 0.000 0.319 487 S N 0.930 116.661 115.700 0.052 0.000 2.601 487 S HA 0.442 4.912 4.470 -0.000 0.000 0.271 487 S C -2.082 172.598 174.600 0.133 0.000 1.305 487 S CA -1.197 57.043 58.200 0.067 0.000 1.022 487 S CB 2.295 65.508 63.200 0.022 0.000 0.940 487 S HN 0.102 nan 8.310 nan 0.000 0.525 488 P HA 0.146 nan 4.420 nan 0.000 0.273 488 P C -0.589 176.902 177.300 0.319 0.000 1.250 488 P CA -0.540 62.671 63.100 0.184 0.000 0.793 488 P CB 0.253 32.004 31.700 0.084 0.000 1.011 489 W N -0.012 121.312 121.300 0.040 0.000 2.170 489 W HA 0.316 4.975 4.660 -0.000 0.000 0.342 489 W C 0.862 177.401 176.519 0.034 0.000 1.294 489 W CA -0.466 56.896 57.345 0.028 0.000 1.246 489 W CB -1.215 28.251 29.460 0.010 0.000 1.156 489 W HN 0.370 nan 8.180 nan 0.000 0.572 490 A N 2.375 125.350 122.820 0.259 0.000 2.520 490 A HA 0.046 4.366 4.320 -0.000 0.000 0.235 490 A C -0.024 177.652 177.584 0.154 0.000 1.065 490 A CA -0.289 51.864 52.037 0.193 0.000 0.764 490 A CB -0.144 18.955 19.000 0.165 0.000 1.002 490 A HN 0.587 nan 8.150 nan 0.000 0.502 491 D N 0.498 120.966 120.400 0.113 0.000 2.493 491 D HA 0.388 5.028 4.640 -0.000 0.000 0.240 491 D C 1.310 177.516 176.300 -0.158 0.000 1.142 491 D CA 2.134 56.123 54.000 -0.019 0.000 0.872 491 D CB 0.441 41.249 40.800 0.014 0.000 1.173 491 D HN 1.066 nan 8.370 nan 0.000 0.467 492 G N 1.740 110.338 108.800 -0.337 0.000 2.213 492 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.236 492 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.236 492 G C 0.561 175.418 174.900 -0.072 0.000 0.991 492 G CA 0.120 44.971 45.100 -0.416 0.000 0.629 492 G HN 0.597 nan 8.290 nan 0.000 0.517 493 T N 3.760 118.340 114.554 0.043 0.000 2.867 493 T HA 0.433 4.783 4.350 -0.000 0.000 0.297 493 T C -2.251 172.542 174.700 0.154 0.000 0.989 493 T CA -0.096 62.081 62.100 0.128 0.000 1.159 493 T CB 1.290 70.284 68.868 0.211 0.000 0.928 493 T HN 0.134 nan 8.240 nan 0.000 0.538 494 P HA 0.106 nan 4.420 nan 0.000 0.264 494 P C 0.617 178.045 177.300 0.214 0.000 1.236 494 P CA -0.341 62.834 63.100 0.124 0.000 0.811 494 P CB -0.186 31.567 31.700 0.089 0.000 0.840 495 c N 2.611 121.337 118.600 0.210 0.000 2.810 495 c HA 0.473 5.042 4.570 -0.000 0.000 0.283 495 c C 1.401 175.577 174.090 0.144 0.000 1.408 495 c CA 0.853 57.332 56.329 0.250 0.000 1.727 495 c CB -1.007 41.554 42.510 0.085 0.000 2.089 495 c HN 0.450 nan 8.230 nan 0.000 0.608 496 G N 0.504 109.349 108.800 0.074 0.000 2.613 496 G HA2 0.552 4.512 3.960 -0.000 0.000 0.303 496 G HA3 0.552 4.512 3.960 -0.000 0.000 0.303 496 G C -1.917 173.011 174.900 0.047 0.000 1.312 496 G CA -0.566 44.565 45.100 0.051 0.000 1.036 496 G HN 0.220 nan 8.290 nan 0.000 0.513 497 P HA 0.055 nan 4.420 nan 0.000 0.216 497 P C 0.934 178.253 177.300 0.032 0.000 1.153 497 P CA 1.844 64.964 63.100 0.034 0.000 0.848 497 P CB 0.330 32.046 31.700 0.026 0.000 0.787 498 A N -1.346 121.490 122.820 0.026 0.000 2.749 498 A HA 0.317 4.637 4.320 -0.000 0.000 0.299 498 A C 0.160 177.757 177.584 0.022 0.000 1.105 498 A CA -0.097 51.956 52.037 0.026 0.000 0.987 498 A CB -0.342 18.671 19.000 0.023 0.000 1.180 498 A HN 0.100 nan 8.150 nan 0.000 0.528 499 Q N -0.957 118.857 119.800 0.023 0.000 2.451 499 Q HA 0.808 5.148 4.340 -0.000 0.000 0.281 499 Q C -0.563 175.442 176.000 0.009 0.000 1.099 499 Q CA -0.439 55.369 55.803 0.009 0.000 0.806 499 Q CB 2.493 31.232 28.738 0.002 0.000 1.419 499 Q HN 0.558 nan 8.270 nan 0.000 0.427 500 A N 0.181 122.988 122.820 -0.022 0.000 2.524 500 A HA 0.783 5.103 4.320 -0.000 0.000 0.289 500 A C -1.399 176.141 177.584 -0.073 0.000 1.248 500 A CA -0.553 51.461 52.037 -0.039 0.000 0.712 500 A CB 0.970 19.911 19.000 -0.098 0.000 1.312 500 A HN 0.760 nan 8.150 nan 0.000 0.441 501 c N 0.978 119.531 118.600 -0.079 0.000 2.329 501 c HA 0.813 5.383 4.570 -0.000 0.000 0.329 501 c C -0.378 173.639 174.090 -0.120 0.000 1.275 501 c CA -0.430 55.843 56.329 -0.093 0.000 1.726 501 c CB 0.027 42.525 42.510 -0.020 0.000 2.291 501 c HN 0.641 nan 8.230 nan 0.000 0.514 502 M N 2.579 122.115 119.600 -0.107 0.000 2.183 502 M HA 0.346 4.826 4.480 -0.000 0.000 0.277 502 M C 0.883 177.146 176.300 -0.061 0.000 0.995 502 M CA 0.109 55.363 55.300 -0.077 0.000 0.969 502 M CB 1.049 33.606 32.600 -0.070 0.000 1.659 502 M HN 1.059 nan 8.290 nan 0.000 0.462 503 G N 2.079 110.862 108.800 -0.029 0.000 2.343 503 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.264 503 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.264 503 G C 0.738 175.575 174.900 -0.104 0.000 0.989 503 G CA 0.942 46.011 45.100 -0.051 0.000 0.627 503 G HN 1.691 nan 8.290 nan 0.000 0.549 504 G N -1.599 107.124 108.800 -0.130 0.000 2.165 504 G HA2 0.141 4.100 3.960 -0.000 0.000 0.144 504 G HA3 0.141 4.100 3.960 -0.000 0.000 0.144 504 G C -0.192 174.568 174.900 -0.232 0.000 1.049 504 G CA 0.369 45.345 45.100 -0.205 0.000 0.741 504 G HN 0.930 nan 8.290 nan 0.000 0.493 505 R N -0.698 119.690 120.500 -0.185 0.000 2.574 505 R HA 0.543 4.883 4.340 -0.000 0.000 0.288 505 R C -0.713 175.496 176.300 -0.152 0.000 1.004 505 R CA -0.610 55.389 56.100 -0.168 0.000 0.895 505 R CB 1.971 32.197 30.300 -0.124 0.000 1.191 505 R HN 0.242 nan 8.270 nan 0.000 0.444 506 c N 6.047 124.555 118.600 -0.154 0.000 2.322 506 c HA 0.484 5.054 4.570 -0.000 0.000 0.343 506 c C -0.008 174.036 174.090 -0.077 0.000 1.190 506 c CA -0.204 56.053 56.329 -0.121 0.000 1.704 506 c CB -1.523 40.910 42.510 -0.128 0.000 2.293 506 c HN 0.604 nan 8.230 nan 0.000 0.523 507 L N 0.000 121.186 121.223 -0.062 0.000 2.949 507 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 507 L CA 0.000 54.816 54.840 -0.041 0.000 0.813 507 L CB 0.000 42.035 42.059 -0.039 0.000 0.961 507 L HN 0.000 nan 8.230 nan 0.000 0.502