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 1joc_1_A DATA FIRST_RESID 1289 DATA SEQUENCE QDERRALLER CLKGEGEIEK LQTKVLELQR KLDNTTAAVQ ELGRENQSLQ DATA SEQUENCE IKHTQALNRK WAEDNEVQNC MACGKGFSVT VRRHHCRQCG NIFCAECSAK DATA SEQUENCE NALTPSSKKP VRVCDACFND LQG 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 1289 Q HA 0.000 nan 4.340 nan 0.000 0.214 1289 Q C 0.000 176.000 176.000 0.000 0.000 1.003 1289 Q CA 0.000 55.803 55.803 0.000 0.000 1.022 1289 Q CB 0.000 28.738 28.738 0.000 0.000 1.108 1290 D N 1.647 122.047 120.400 0.000 0.000 2.317 1290 D HA -0.046 4.595 4.640 0.001 0.000 0.211 1290 D C 1.215 177.515 176.300 0.000 0.000 0.966 1290 D CA 0.930 54.930 54.000 0.000 0.000 0.876 1290 D CB 0.189 40.989 40.800 0.000 0.000 0.927 1290 D HN 0.296 nan 8.370 nan 0.000 0.519 1291 E N 0.755 120.955 120.200 0.000 0.000 2.028 1291 E HA -0.173 4.178 4.350 0.001 0.000 0.191 1291 E C 2.146 178.746 176.600 0.000 0.000 0.988 1291 E CA 0.855 57.255 56.400 0.000 0.000 0.799 1291 E CB -0.101 29.599 29.700 0.000 0.000 0.755 1291 E HN 0.318 nan 8.360 nan 0.000 0.447 1292 R N 1.227 121.727 120.500 0.000 0.000 2.148 1292 R HA -0.014 4.327 4.340 0.001 0.000 0.223 1292 R C 2.021 178.321 176.300 0.000 0.000 1.088 1292 R CA 0.891 56.991 56.100 0.000 0.000 0.985 1292 R CB -0.228 30.073 30.300 0.000 0.000 0.880 1292 R HN 0.011 nan 8.270 nan 0.000 0.451 1293 R N 0.605 121.105 120.500 0.000 0.000 2.152 1293 R HA -0.035 4.306 4.340 0.001 0.000 0.232 1293 R C 2.156 178.456 176.300 0.000 0.000 1.117 1293 R CA 1.499 57.599 56.100 0.000 0.000 0.981 1293 R CB -0.190 30.110 30.300 0.000 0.000 0.870 1293 R HN 0.381 nan 8.270 nan 0.000 0.451 1294 A N 0.461 123.281 122.820 0.000 0.000 2.044 1294 A HA 0.096 4.417 4.320 0.001 0.000 0.213 1294 A C 2.009 179.594 177.584 0.000 0.000 1.169 1294 A CA 0.239 52.276 52.037 0.000 0.000 0.724 1294 A CB -0.017 18.983 19.000 0.000 0.000 0.840 1294 A HN 0.116 nan 8.150 nan 0.000 0.463 1295 L N -0.395 120.828 121.223 0.000 0.000 2.156 1295 L HA -0.086 4.255 4.340 0.001 0.000 0.208 1295 L C 2.362 179.232 176.870 0.000 0.000 1.095 1295 L CA 0.721 55.561 54.840 0.000 0.000 0.770 1295 L CB -0.420 41.639 42.059 0.000 0.000 0.914 1295 L HN 0.365 nan 8.230 nan 0.000 0.439 1296 L N -0.492 120.731 121.223 0.000 0.000 2.056 1296 L HA -0.217 4.123 4.340 0.001 0.000 0.207 1296 L C 2.482 179.352 176.870 0.000 0.000 1.078 1296 L CA 1.209 56.050 54.840 0.000 0.000 0.749 1296 L CB -0.419 41.640 42.059 0.000 0.000 0.901 1296 L HN 0.273 nan 8.230 nan 0.000 0.433 1297 E N 0.216 120.416 120.200 0.000 0.000 2.023 1297 E HA -0.295 4.056 4.350 0.001 0.000 0.196 1297 E C 2.338 178.938 176.600 0.000 0.000 1.003 1297 E CA 1.488 57.888 56.400 0.000 0.000 0.809 1297 E CB -0.035 29.665 29.700 0.000 0.000 0.755 1297 E HN 0.227 nan 8.360 nan 0.000 0.449 1298 R N 0.074 120.574 120.500 0.000 0.000 2.091 1298 R HA -0.196 4.145 4.340 0.001 0.000 0.238 1298 R C 2.504 178.804 176.300 0.000 0.000 1.136 1298 R CA 1.769 57.869 56.100 0.000 0.000 0.959 1298 R CB -0.651 29.649 30.300 0.000 0.000 0.856 1298 R HN 0.367 nan 8.270 nan 0.000 0.437 1299 C N 0.035 119.335 119.300 0.000 0.000 2.508 1299 C HA 0.008 4.469 4.460 0.001 0.000 0.280 1299 C C 2.588 177.578 174.990 0.000 0.000 1.262 1299 C CA 0.233 59.251 59.018 0.000 0.000 1.706 1299 C CB -1.105 26.635 27.740 0.000 0.000 2.078 1299 C HN 0.573 nan 8.230 nan 0.000 0.480 1300 L N 1.355 122.578 121.223 0.000 0.000 2.013 1300 L HA -0.171 4.170 4.340 0.001 0.000 0.212 1300 L C 2.573 179.443 176.870 0.000 0.000 1.073 1300 L CA 2.131 56.971 54.840 0.000 0.000 0.753 1300 L CB -1.348 40.711 42.059 0.000 0.000 0.890 1300 L HN 0.521 nan 8.230 nan 0.000 0.432 1301 K N -1.173 119.227 120.400 0.000 0.000 2.147 1301 K HA -0.118 4.203 4.320 0.001 0.000 0.205 1301 K C 2.003 178.604 176.600 0.000 0.000 1.049 1301 K CA 1.134 57.421 56.287 0.000 0.000 0.936 1301 K CB -0.346 32.154 32.500 0.000 0.000 0.722 1301 K HN 0.442 nan 8.250 nan 0.000 0.446 1302 G N 1.592 110.392 108.800 0.000 0.000 2.395 1302 G HA2 -0.191 3.770 3.960 0.001 0.000 0.214 1302 G HA3 -0.191 3.770 3.960 0.001 0.000 0.214 1302 G C 1.190 176.090 174.900 0.000 0.000 1.177 1302 G CA 0.221 45.321 45.100 0.000 0.000 0.794 1302 G HN 0.155 nan 8.290 nan 0.000 0.532 1303 E N 1.011 121.211 120.200 0.000 0.000 2.401 1303 E HA -0.037 4.314 4.350 0.001 0.000 0.199 1303 E C 2.394 178.994 176.600 0.000 0.000 1.023 1303 E CA 0.832 57.232 56.400 0.000 0.000 0.859 1303 E CB -0.341 29.359 29.700 0.000 0.000 0.780 1303 E HN 0.426 nan 8.360 nan 0.000 0.523 1304 G N 1.127 109.928 108.800 0.000 0.000 2.510 1304 G HA2 -0.142 3.819 3.960 0.001 0.000 0.212 1304 G HA3 -0.142 3.819 3.960 0.001 0.000 0.212 1304 G C 1.404 176.304 174.900 0.000 0.000 1.151 1304 G CA -0.132 44.968 45.100 0.000 0.000 0.817 1304 G HN 0.197 nan 8.290 nan 0.000 0.534 1305 E N 0.284 120.484 120.200 0.000 0.000 2.153 1305 E HA -0.061 4.290 4.350 0.001 0.000 0.194 1305 E C 2.351 178.951 176.600 0.000 0.000 0.988 1305 E CA 0.460 56.860 56.400 0.000 0.000 0.811 1305 E CB -0.098 29.602 29.700 0.000 0.000 0.746 1305 E HN 0.454 nan 8.360 nan 0.000 0.466 1306 I N 1.419 121.989 120.570 0.000 0.000 2.113 1306 I HA -0.284 3.887 4.170 0.001 0.000 0.238 1306 I C 2.986 179.103 176.117 0.000 0.000 1.070 1306 I CA 1.750 63.050 61.300 0.000 0.000 1.332 1306 I CB -0.792 37.208 38.000 0.000 0.000 1.044 1306 I HN 0.191 nan 8.210 nan 0.000 0.402 1307 E N 1.553 121.753 120.200 0.000 0.000 2.130 1307 E HA -0.296 4.054 4.350 0.001 0.000 0.196 1307 E C 2.073 178.673 176.600 0.000 0.000 0.998 1307 E CA 1.870 58.270 56.400 0.000 0.000 0.806 1307 E CB -0.698 29.002 29.700 0.000 0.000 0.738 1307 E HN 0.526 nan 8.360 nan 0.000 0.459 1308 K N -0.629 119.771 120.400 0.000 0.000 2.001 1308 K HA 0.074 4.395 4.320 0.001 0.000 0.208 1308 K C 2.477 179.077 176.600 0.000 0.000 1.048 1308 K CA 1.186 57.473 56.287 0.000 0.000 0.932 1308 K CB -0.310 32.190 32.500 0.000 0.000 0.715 1308 K HN 0.335 nan 8.250 nan 0.000 0.437 1309 L N 1.412 122.635 121.223 0.000 0.000 2.013 1309 L HA -0.289 4.051 4.340 0.001 0.000 0.212 1309 L C 2.592 179.462 176.870 0.000 0.000 1.073 1309 L CA 1.521 56.361 54.840 0.000 0.000 0.753 1309 L CB -0.500 41.559 42.059 0.000 0.000 0.890 1309 L HN 0.282 nan 8.230 nan 0.000 0.432 1310 Q N -0.927 118.873 119.800 0.000 0.000 2.135 1310 Q HA -0.201 4.140 4.340 0.001 0.000 0.204 1310 Q C 2.183 178.184 176.000 0.000 0.000 0.981 1310 Q CA 2.064 57.867 55.803 0.000 0.000 0.856 1310 Q CB -0.286 28.452 28.738 0.000 0.000 0.902 1310 Q HN 0.495 nan 8.270 nan 0.000 0.425 1311 T N 0.736 115.290 114.554 0.000 0.000 2.777 1311 T HA -0.139 4.212 4.350 0.001 0.000 0.266 1311 T C 1.704 176.404 174.700 0.000 0.000 1.040 1311 T CA 1.433 63.534 62.100 0.000 0.000 1.141 1311 T CB -0.101 68.767 68.868 0.000 0.000 0.868 1311 T HN 0.090 nan 8.240 nan 0.000 0.444 1312 K N 1.348 121.748 120.400 0.000 0.000 2.103 1312 K HA -0.042 4.278 4.320 0.001 0.000 0.207 1312 K C 1.965 178.565 176.600 0.000 0.000 1.048 1312 K CA 1.121 57.408 56.287 0.000 0.000 0.930 1312 K CB -0.802 31.698 32.500 0.000 0.000 0.716 1312 K HN 0.187 nan 8.250 nan 0.000 0.444 1313 V N 0.558 120.472 119.914 0.000 0.000 2.307 1313 V HA -0.219 3.902 4.120 0.001 0.000 0.245 1313 V C 2.730 178.824 176.094 0.000 0.000 1.045 1313 V CA 2.058 64.359 62.300 0.000 0.000 1.024 1313 V CB -0.981 30.842 31.823 0.000 0.000 0.651 1313 V HN 0.456 nan 8.190 nan 0.000 0.449 1314 L N -0.129 121.094 121.223 0.000 0.000 2.131 1314 L HA -0.114 4.226 4.340 0.001 0.000 0.210 1314 L C 2.398 179.268 176.870 0.000 0.000 1.092 1314 L CA 2.703 57.544 54.840 0.000 0.000 0.759 1314 L CB -1.168 40.891 42.059 0.000 0.000 0.903 1314 L HN 0.562 nan 8.230 nan 0.000 0.435 1315 E N -0.201 119.999 120.200 0.000 0.000 2.006 1315 E HA -0.198 4.153 4.350 0.001 0.000 0.192 1315 E C 2.278 178.878 176.600 0.000 0.000 0.993 1315 E CA 1.382 57.782 56.400 0.000 0.000 0.808 1315 E CB -0.192 29.508 29.700 0.000 0.000 0.764 1315 E HN 0.722 nan 8.360 nan 0.000 0.449 1316 L N 0.781 122.005 121.223 0.000 0.000 2.127 1316 L HA -0.235 4.106 4.340 0.001 0.000 0.211 1316 L C 2.870 179.740 176.870 0.000 0.000 1.089 1316 L CA 1.200 56.040 54.840 0.000 0.000 0.757 1316 L CB -0.461 41.598 42.059 0.000 0.000 0.899 1316 L HN 0.266 nan 8.230 nan 0.000 0.434 1317 Q N 0.598 120.398 119.800 0.000 0.000 2.030 1317 Q HA -0.195 4.146 4.340 0.001 0.000 0.204 1317 Q C 2.291 178.291 176.000 0.000 0.000 0.986 1317 Q CA 1.798 57.601 55.803 0.000 0.000 0.843 1317 Q CB -0.062 28.677 28.738 0.000 0.000 0.904 1317 Q HN 0.330 nan 8.270 nan 0.000 0.420 1318 R N -0.201 120.300 120.500 0.000 0.000 2.081 1318 R HA -0.095 4.245 4.340 0.001 0.000 0.235 1318 R C 2.355 178.656 176.300 0.000 0.000 1.131 1318 R CA 1.586 57.686 56.100 0.000 0.000 0.960 1318 R CB -0.234 30.067 30.300 0.000 0.000 0.856 1318 R HN 0.171 nan 8.270 nan 0.000 0.436 1319 K N 0.494 120.894 120.400 0.000 0.000 2.148 1319 K HA -0.123 4.198 4.320 0.001 0.000 0.204 1319 K C 1.992 178.593 176.600 0.000 0.000 1.050 1319 K CA 0.819 57.106 56.287 0.000 0.000 0.942 1319 K CB -0.131 32.370 32.500 0.000 0.000 0.724 1319 K HN 0.008 nan 8.250 nan 0.000 0.446 1320 L N 1.424 122.647 121.223 0.000 0.000 2.044 1320 L HA -0.147 4.193 4.340 0.001 0.000 0.205 1320 L C 1.229 178.100 176.870 0.000 0.000 1.075 1320 L CA 1.915 56.755 54.840 0.000 0.000 0.747 1320 L CB -0.313 41.747 42.059 0.000 0.000 0.903 1320 L HN 0.086 nan 8.230 nan 0.000 0.435 1321 D N -0.497 119.903 120.400 0.001 0.000 2.117 1321 D HA -0.165 4.476 4.640 0.001 0.000 0.197 1321 D C 1.916 178.217 176.300 0.001 0.000 0.987 1321 D CA 1.024 55.025 54.000 0.001 0.000 0.829 1321 D CB -0.276 40.524 40.800 0.001 0.000 0.961 1321 D HN 0.331 nan 8.370 nan 0.000 0.460 1322 N N -0.020 118.680 118.700 0.001 0.000 2.058 1322 N HA -0.115 4.626 4.740 0.001 0.000 0.191 1322 N C 1.951 177.461 175.510 0.001 0.000 1.037 1322 N CA 2.022 55.073 53.050 0.001 0.000 0.848 1322 N CB -0.722 37.765 38.487 0.001 0.000 1.021 1322 N HN 0.358 nan 8.380 nan 0.000 0.422 1323 T N -2.806 111.748 114.554 0.000 0.000 2.951 1323 T HA -0.006 4.344 4.350 0.001 0.000 0.268 1323 T C 1.867 176.567 174.700 0.000 0.000 1.073 1323 T CA 1.311 63.411 62.100 0.000 0.000 1.134 1323 T CB -0.644 68.224 68.868 0.000 0.000 0.884 1323 T HN 0.039 nan 8.240 nan 0.000 0.479 1324 T N 1.966 116.521 114.554 0.001 0.000 2.857 1324 T HA 0.207 4.558 4.350 0.001 0.000 0.266 1324 T C 2.457 177.158 174.700 0.001 0.000 1.048 1324 T CA 1.019 63.119 62.100 0.001 0.000 1.139 1324 T CB -0.661 68.207 68.868 0.001 0.000 0.874 1324 T HN 0.589 nan 8.240 nan 0.000 0.455 1325 A N 1.255 124.076 122.820 0.001 0.000 1.969 1325 A HA 0.226 4.547 4.320 0.001 0.000 0.218 1325 A C 2.540 180.125 177.584 0.001 0.000 1.169 1325 A CA 1.661 53.699 52.037 0.001 0.000 0.635 1325 A CB -0.822 18.178 19.000 0.001 0.000 0.810 1325 A HN 0.496 nan 8.150 nan 0.000 0.445 1326 A N -1.059 121.762 122.820 0.001 0.000 1.930 1326 A HA 0.108 4.429 4.320 0.001 0.000 0.215 1326 A C 2.189 179.774 177.584 0.001 0.000 1.176 1326 A CA 1.366 53.403 52.037 0.001 0.000 0.632 1326 A CB -0.821 18.180 19.000 0.001 0.000 0.819 1326 A HN 0.586 nan 8.150 nan 0.000 0.445 1327 V N -0.023 119.892 119.914 0.001 0.000 2.809 1327 V HA -0.223 3.898 4.120 0.001 0.000 0.256 1327 V C 2.287 178.382 176.094 0.001 0.000 1.080 1327 V CA 2.247 64.547 62.300 0.000 0.000 1.102 1327 V CB -0.514 31.309 31.823 0.000 0.000 0.705 1327 V HN 0.688 nan 8.190 nan 0.000 0.475 1328 Q N -0.735 119.066 119.800 0.001 0.000 2.137 1328 Q HA -0.172 4.168 4.340 0.001 0.000 0.198 1328 Q C 2.158 178.159 176.000 0.002 0.000 0.960 1328 Q CA 1.433 57.237 55.803 0.002 0.000 0.847 1328 Q CB -0.023 28.716 28.738 0.002 0.000 0.915 1328 Q HN 0.565 nan 8.270 nan 0.000 0.448 1329 E N 1.031 121.232 120.200 0.002 0.000 2.204 1329 E HA -0.097 4.254 4.350 0.001 0.000 0.194 1329 E C 1.616 178.218 176.600 0.003 0.000 0.989 1329 E CA 0.777 57.179 56.400 0.003 0.000 0.824 1329 E CB -0.050 29.651 29.700 0.003 0.000 0.756 1329 E HN 0.286 nan 8.360 nan 0.000 0.477 1330 L N -0.953 120.271 121.223 0.002 0.000 2.156 1330 L HA 0.043 4.384 4.340 0.001 0.000 0.208 1330 L C 2.345 179.216 176.870 0.001 0.000 1.095 1330 L CA 0.982 55.822 54.840 0.001 0.000 0.770 1330 L CB -0.537 41.522 42.059 -0.000 0.000 0.914 1330 L HN 0.280 nan 8.230 nan 0.000 0.439 1331 G N -0.029 108.772 108.800 0.001 0.000 2.402 1331 G HA2 -0.209 3.752 3.960 0.001 0.000 0.216 1331 G HA3 -0.209 3.752 3.960 0.001 0.000 0.216 1331 G C 1.738 176.640 174.900 0.003 0.000 1.162 1331 G CA 0.333 45.434 45.100 0.002 0.000 0.777 1331 G HN 0.265 nan 8.290 nan 0.000 0.539 1332 R N 0.361 120.863 120.500 0.004 0.000 2.066 1332 R HA -0.002 4.338 4.340 0.001 0.000 0.232 1332 R C 2.519 178.823 176.300 0.007 0.000 1.131 1332 R CA 1.374 57.477 56.100 0.006 0.000 0.955 1332 R CB -0.340 29.963 30.300 0.006 0.000 0.851 1332 R HN 0.410 nan 8.270 nan 0.000 0.432 1333 E N 0.502 120.706 120.200 0.006 0.000 2.153 1333 E HA -0.182 4.169 4.350 0.001 0.000 0.194 1333 E C 1.813 178.418 176.600 0.007 0.000 0.988 1333 E CA 0.848 57.253 56.400 0.007 0.000 0.811 1333 E CB -0.131 29.573 29.700 0.006 0.000 0.746 1333 E HN 0.311 nan 8.360 nan 0.000 0.466 1334 N N 0.759 119.462 118.700 0.004 0.000 2.270 1334 N HA -0.201 4.539 4.740 0.001 0.000 0.181 1334 N C 1.860 177.373 175.510 0.004 0.000 1.016 1334 N CA 0.941 53.991 53.050 0.001 0.000 0.870 1334 N CB 0.135 38.620 38.487 -0.003 0.000 0.979 1334 N HN 0.230 nan 8.380 nan 0.000 0.431 1335 Q N 0.064 119.869 119.800 0.007 0.000 2.137 1335 Q HA 0.015 4.356 4.340 0.001 0.000 0.198 1335 Q C 1.818 177.829 176.000 0.017 0.000 0.960 1335 Q CA 0.919 56.728 55.803 0.011 0.000 0.847 1335 Q CB 0.152 28.896 28.738 0.010 0.000 0.915 1335 Q HN 0.249 nan 8.270 nan 0.000 0.448 1336 S N 0.839 116.549 115.700 0.017 0.000 2.368 1336 S HA -0.119 4.352 4.470 0.001 0.000 0.225 1336 S C 1.870 176.488 174.600 0.030 0.000 1.030 1336 S CA 1.037 59.250 58.200 0.021 0.000 0.999 1336 S CB -0.202 63.009 63.200 0.018 0.000 0.844 1336 S HN 0.359 nan 8.310 nan 0.000 0.459 1337 L N 1.230 122.469 121.223 0.027 0.000 2.005 1337 L HA -0.136 4.205 4.340 0.001 0.000 0.207 1337 L C 2.763 179.666 176.870 0.056 0.000 1.072 1337 L CA 1.252 56.114 54.840 0.038 0.000 0.744 1337 L CB -0.767 41.305 42.059 0.021 0.000 0.895 1337 L HN 0.347 nan 8.230 nan 0.000 0.433 1338 Q N 0.052 119.872 119.800 0.033 0.000 2.135 1338 Q HA -0.216 4.125 4.340 0.001 0.000 0.204 1338 Q C 2.299 178.348 176.000 0.082 0.000 0.981 1338 Q CA 1.520 57.346 55.803 0.039 0.000 0.856 1338 Q CB -0.149 28.596 28.738 0.012 0.000 0.902 1338 Q HN 0.556 nan 8.270 nan 0.000 0.425 1339 I N 0.600 121.206 120.570 0.061 0.000 2.202 1339 I HA -0.280 3.891 4.170 0.001 0.000 0.242 1339 I C 2.129 178.285 176.117 0.066 0.000 1.091 1339 I CA 1.235 62.569 61.300 0.057 0.000 1.368 1339 I CB -0.131 37.892 38.000 0.038 0.000 1.058 1339 I HN 0.132 nan 8.210 nan 0.000 0.410 1340 K N -0.377 120.064 120.400 0.068 0.000 2.057 1340 K HA -0.237 4.084 4.320 0.001 0.000 0.207 1340 K C 2.234 178.878 176.600 0.073 0.000 1.049 1340 K CA 1.230 57.553 56.287 0.061 0.000 0.931 1340 K CB -0.403 32.131 32.500 0.056 0.000 0.714 1340 K HN 0.405 nan 8.250 nan 0.000 0.440 1341 H N 0.970 120.050 119.070 0.016 0.000 2.387 1341 H HA -0.075 4.482 4.556 0.001 0.000 0.299 1341 H C 1.363 176.702 175.328 0.018 0.000 1.090 1341 H CA 1.722 57.780 56.048 0.016 0.000 1.332 1341 H CB 0.225 29.995 29.762 0.013 0.000 1.386 1341 H HN 0.088 nan 8.280 nan 0.000 0.516 1342 T N 1.153 115.779 114.554 0.120 0.000 2.737 1342 T HA -0.144 4.206 4.350 0.001 0.000 0.265 1342 T C 2.081 176.774 174.700 -0.013 0.000 1.038 1342 T CA 1.510 63.648 62.100 0.064 0.000 1.144 1342 T CB -0.223 68.695 68.868 0.085 0.000 0.866 1342 T HN 0.487 nan 8.240 nan 0.000 0.434 1343 Q N 0.733 120.534 119.800 0.003 0.000 2.226 1343 Q HA 0.047 4.388 4.340 0.001 0.000 0.204 1343 Q C 2.525 178.512 176.000 -0.021 0.000 0.975 1343 Q CA 1.171 56.974 55.803 -0.001 0.000 0.866 1343 Q CB -0.273 28.474 28.738 0.015 0.000 0.915 1343 Q HN 0.552 nan 8.270 nan 0.000 0.440 1344 A N 0.404 123.187 122.820 -0.061 0.000 2.067 1344 A HA -0.017 4.304 4.320 0.001 0.000 0.217 1344 A C 1.889 179.413 177.584 -0.099 0.000 1.156 1344 A CA 0.552 52.544 52.037 -0.074 0.000 0.683 1344 A CB -0.166 18.773 19.000 -0.102 0.000 0.808 1344 A HN 0.256 nan 8.150 nan 0.000 0.455 1345 L N -0.427 120.712 121.223 -0.141 0.000 2.270 1345 L HA -0.060 4.281 4.340 0.001 0.000 0.210 1345 L C 1.772 178.619 176.870 -0.037 0.000 1.104 1345 L CA 0.585 55.358 54.840 -0.111 0.000 0.804 1345 L CB -0.480 41.498 42.059 -0.135 0.000 0.937 1345 L HN 0.395 nan 8.230 nan 0.000 0.450 1346 N N 0.475 119.163 118.700 -0.020 0.000 2.331 1346 N HA -0.078 4.663 4.740 0.001 0.000 0.180 1346 N C 0.611 176.133 175.510 0.021 0.000 1.019 1346 N CA 0.234 53.287 53.050 0.006 0.000 0.881 1346 N CB -0.120 38.373 38.487 0.010 0.000 0.972 1346 N HN 0.097 nan 8.380 nan 0.000 0.435 1347 R N 1.805 122.318 120.500 0.021 0.000 2.543 1347 R HA -0.108 4.232 4.340 0.001 0.000 0.280 1347 R C -0.194 176.147 176.300 0.069 0.000 0.885 1347 R CA 1.116 57.245 56.100 0.047 0.000 1.130 1347 R CB 0.016 30.345 30.300 0.048 0.000 0.871 1347 R HN 0.194 nan 8.270 nan 0.000 0.424 1348 K N 2.142 122.598 120.400 0.093 0.000 2.532 1348 K HA 0.158 4.478 4.320 0.001 0.000 0.265 1348 K C -1.121 175.599 176.600 0.199 0.000 0.948 1348 K CA -0.880 55.487 56.287 0.133 0.000 0.842 1348 K CB 1.522 34.084 32.500 0.102 0.000 1.392 1348 K HN 0.489 nan 8.250 nan 0.000 0.436 1349 W N 3.188 124.500 121.300 0.020 0.000 2.489 1349 W HA 0.140 4.800 4.660 0.000 0.000 0.327 1349 W C -0.315 176.241 176.519 0.061 0.000 1.436 1349 W CA 0.075 57.426 57.345 0.012 0.000 1.315 1349 W CB 0.149 29.548 29.460 -0.103 0.000 1.373 1349 W HN 0.681 nan 8.180 nan 0.000 0.557 1350 A N 5.579 128.406 122.820 0.011 0.000 2.445 1350 A HA 0.096 4.416 4.320 0.001 0.000 0.242 1350 A C -0.014 177.623 177.584 0.087 0.000 1.075 1350 A CA -0.068 51.987 52.037 0.030 0.000 0.777 1350 A CB 0.289 19.241 19.000 -0.078 0.000 1.013 1350 A HN 0.700 nan 8.150 nan 0.000 0.493 1351 E N 1.224 121.467 120.200 0.072 0.000 2.229 1351 E HA 0.098 4.449 4.350 0.001 0.000 0.283 1351 E C -0.208 176.404 176.600 0.020 0.000 1.030 1351 E CA -0.582 55.866 56.400 0.081 0.000 0.836 1351 E CB 0.842 30.580 29.700 0.064 0.000 1.068 1351 E HN 0.638 nan 8.360 nan 0.000 0.401 1352 D N 2.569 122.984 120.400 0.024 0.000 2.177 1352 D HA -0.210 4.431 4.640 0.001 0.000 0.189 1352 D C 1.135 177.406 176.300 -0.047 0.000 1.002 1352 D CA 1.448 55.416 54.000 -0.053 0.000 0.845 1352 D CB -0.071 40.703 40.800 -0.044 0.000 0.960 1352 D HN 0.378 nan 8.370 nan 0.000 0.447 1353 N N 0.755 119.447 118.700 -0.014 0.000 2.519 1353 N HA -0.108 4.633 4.740 0.001 0.000 0.186 1353 N C 1.357 176.866 175.510 -0.000 0.000 1.062 1353 N CA 0.459 53.507 53.050 -0.003 0.000 0.910 1353 N CB -0.037 38.452 38.487 0.004 0.000 0.958 1353 N HN 0.313 nan 8.380 nan 0.000 0.445 1354 E N -0.118 120.078 120.200 -0.006 0.000 2.299 1354 E HA 0.055 4.406 4.350 0.001 0.000 0.193 1354 E C -0.005 176.585 176.600 -0.017 0.000 0.998 1354 E CA 0.282 56.677 56.400 -0.009 0.000 0.851 1354 E CB 0.444 30.139 29.700 -0.008 0.000 0.795 1354 E HN 0.045 nan 8.360 nan 0.000 0.492 1355 V N 2.772 122.675 119.914 -0.019 0.000 2.334 1355 V HA 0.140 4.261 4.120 0.001 0.000 0.281 1355 V C 0.705 176.860 176.094 0.102 0.000 1.016 1355 V CA -0.388 61.913 62.300 0.001 0.000 0.832 1355 V CB 1.686 33.481 31.823 -0.046 0.000 0.999 1355 V HN -0.020 nan 8.190 nan 0.000 0.439 1356 Q N 2.507 122.346 119.800 0.065 0.000 2.319 1356 Q HA 0.268 4.609 4.340 0.001 0.000 0.209 1356 Q C -0.143 175.822 176.000 -0.059 0.000 0.884 1356 Q CA 0.276 56.132 55.803 0.088 0.000 0.938 1356 Q CB 0.738 29.485 28.738 0.016 0.000 1.098 1356 Q HN 0.796 nan 8.270 nan 0.000 0.517 1357 N N -0.858 117.714 118.700 -0.213 0.000 2.284 1357 N HA 0.172 4.913 4.740 0.001 0.000 0.289 1357 N C -1.447 173.702 175.510 -0.602 0.000 1.179 1357 N CA -0.586 52.137 53.050 -0.544 0.000 0.774 1357 N CB 1.856 40.166 38.487 -0.295 0.000 1.548 1357 N HN 0.010 nan 8.380 nan 0.000 0.473 1358 C N 2.033 120.872 119.300 -0.768 0.000 2.592 1358 C HA 0.079 4.540 4.460 0.001 0.000 0.408 1358 C C 1.638 176.517 174.990 -0.186 0.000 1.436 1358 C CA -0.034 58.779 59.018 -0.343 0.000 1.595 1358 C CB -1.451 26.191 27.740 -0.164 0.000 2.487 1358 C HN 0.754 nan 8.230 nan 0.000 0.610 1359 M N 4.888 124.313 119.600 -0.292 0.000 2.706 1359 M HA -0.068 4.413 4.480 0.001 0.000 0.251 1359 M C 1.718 178.054 176.300 0.061 0.000 1.070 1359 M CA 1.405 56.551 55.300 -0.256 0.000 1.073 1359 M CB -0.204 32.074 32.600 -0.536 0.000 1.449 1359 M HN 0.939 nan 8.290 nan 0.000 0.531 1360 A N -0.764 122.206 122.820 0.250 0.000 1.993 1360 A HA -0.016 4.305 4.320 0.001 0.000 0.202 1360 A C 1.897 179.546 177.584 0.107 0.000 1.461 1360 A CA 0.554 52.759 52.037 0.279 0.000 0.824 1360 A CB -0.402 18.813 19.000 0.359 0.000 1.024 1360 A HN 0.656 nan 8.150 nan 0.000 0.507 1361 C N -2.356 116.985 119.300 0.069 0.000 2.926 1361 C HA 0.569 5.030 4.460 0.001 0.000 0.272 1361 C C 1.881 176.848 174.990 -0.039 0.000 1.249 1361 C CA 0.392 59.416 59.018 0.009 0.000 1.691 1361 C CB -0.248 27.495 27.740 0.006 0.000 1.983 1361 C HN 1.729 nan 8.230 nan 0.000 0.615 1362 G N 1.278 110.033 108.800 -0.076 0.000 2.205 1362 G HA2 -0.304 3.657 3.960 0.001 0.000 0.261 1362 G HA3 -0.304 3.657 3.960 0.001 0.000 0.261 1362 G C 0.227 175.015 174.900 -0.187 0.000 0.980 1362 G CA 0.529 45.554 45.100 -0.125 0.000 0.632 1362 G HN 0.913 nan 8.290 nan 0.000 0.533 1363 K N 1.258 121.543 120.400 -0.192 0.000 2.527 1363 K HA 0.355 4.676 4.320 0.001 0.000 0.278 1363 K C 1.077 177.436 176.600 -0.403 0.000 0.981 1363 K CA 0.493 56.647 56.287 -0.222 0.000 1.009 1363 K CB -0.078 32.324 32.500 -0.163 0.000 0.895 1363 K HN 0.403 nan 8.250 nan 0.000 0.493 1364 G N 3.646 112.270 108.800 -0.293 0.000 2.415 1364 G HA2 0.307 4.268 3.960 0.001 0.000 0.269 1364 G HA3 0.307 4.268 3.960 0.001 0.000 0.269 1364 G C -0.707 174.024 174.900 -0.282 0.000 1.209 1364 G CA -0.744 44.166 45.100 -0.317 0.000 0.835 1364 G HN 0.519 nan 8.290 nan 0.000 0.534 1365 F N 0.981 120.902 119.950 -0.049 0.000 2.382 1365 F HA 0.519 5.047 4.527 0.001 0.000 0.331 1365 F C 1.240 177.015 175.800 -0.042 0.000 1.121 1365 F CA 0.223 58.191 58.000 -0.054 0.000 1.183 1365 F CB 1.852 40.805 39.000 -0.078 0.000 1.207 1365 F HN 0.695 nan 8.300 nan 0.000 0.555 1366 S N -0.407 115.407 115.700 0.189 0.000 2.930 1366 S HA 0.232 4.703 4.470 0.001 0.000 0.306 1366 S C 0.214 174.845 174.600 0.052 0.000 1.238 1366 S CA -0.201 58.050 58.200 0.086 0.000 1.000 1366 S CB 0.630 63.864 63.200 0.057 0.000 1.342 1366 S HN 0.562 nan 8.310 nan 0.000 0.575 1367 V N -0.170 119.763 119.914 0.032 0.000 2.719 1367 V HA 0.108 4.229 4.120 0.001 0.000 0.252 1367 V C 2.087 178.195 176.094 0.024 0.000 1.065 1367 V CA 1.930 64.240 62.300 0.018 0.000 1.086 1367 V CB -1.679 30.152 31.823 0.014 0.000 0.700 1367 V HN 1.109 nan 8.190 nan 0.000 0.467 1368 T N -1.688 112.887 114.554 0.035 0.000 3.051 1368 T HA 0.254 4.604 4.350 0.001 0.000 0.255 1368 T C 0.702 175.439 174.700 0.061 0.000 1.085 1368 T CA 0.498 62.622 62.100 0.040 0.000 1.109 1368 T CB 0.117 69.005 68.868 0.034 0.000 0.921 1368 T HN 0.328 nan 8.240 nan 0.000 0.488 1369 V N 2.970 122.935 119.914 0.085 0.000 2.266 1369 V HA 0.422 4.543 4.120 0.001 0.000 0.271 1369 V C 0.093 176.289 176.094 0.170 0.000 1.032 1369 V CA -1.101 61.286 62.300 0.146 0.000 0.806 1369 V CB 0.488 32.407 31.823 0.159 0.000 1.052 1369 V HN 0.326 nan 8.190 nan 0.000 0.449 1370 R N 2.788 123.307 120.500 0.032 0.000 2.583 1370 R HA 0.613 4.953 4.340 0.001 0.000 0.268 1370 R C -0.059 175.920 176.300 -0.535 0.000 1.101 1370 R CA -0.807 55.172 56.100 -0.202 0.000 1.180 1370 R CB 1.337 31.517 30.300 -0.199 0.000 1.128 1370 R HN 0.512 nan 8.270 nan 0.000 0.568 1371 R N 0.812 120.828 120.500 -0.807 0.000 2.457 1371 R HA 0.334 4.675 4.340 0.001 0.000 0.284 1371 R C -0.328 175.442 176.300 -0.884 0.000 1.024 1371 R CA -0.455 55.039 56.100 -1.010 0.000 1.025 1371 R CB 0.937 30.666 30.300 -0.950 0.000 1.063 1371 R HN 0.537 nan 8.270 nan 0.000 0.493 1372 H N 0.652 119.576 119.070 -0.244 0.000 2.961 1372 H HA 0.327 4.883 4.556 0.001 0.000 0.371 1372 H C -0.835 174.398 175.328 -0.158 0.000 1.190 1372 H CA -0.703 55.305 56.048 -0.065 0.000 1.138 1372 H CB 1.837 31.621 29.762 0.037 0.000 1.816 1372 H HN 0.593 nan 8.280 nan 0.000 0.551 1373 H N -0.596 118.480 119.070 0.011 0.000 2.670 1373 H HA 0.333 4.889 4.556 0.001 0.000 0.361 1373 H C -0.483 174.883 175.328 0.063 0.000 1.169 1373 H CA -0.334 55.609 56.048 -0.176 0.000 1.198 1373 H CB 1.917 31.139 29.762 -0.901 0.000 1.700 1373 H HN 0.531 nan 8.280 nan 0.000 0.542 1374 C N 2.708 122.164 119.300 0.260 0.000 2.307 1374 C HA 0.344 4.804 4.460 0.001 0.000 0.340 1374 C C 1.195 176.334 174.990 0.248 0.000 1.275 1374 C CA -0.641 58.518 59.018 0.235 0.000 1.811 1374 C CB -0.431 27.458 27.740 0.249 0.000 2.372 1374 C HN 0.885 nan 8.230 nan 0.000 0.531 1375 R N 2.109 122.756 120.500 0.245 0.000 2.339 1375 R HA 0.035 4.375 4.340 0.001 0.000 0.199 1375 R C 2.044 178.458 176.300 0.190 0.000 1.018 1375 R CA 0.849 57.108 56.100 0.265 0.000 1.036 1375 R CB -0.240 30.187 30.300 0.212 0.000 0.899 1375 R HN 0.734 nan 8.270 nan 0.000 0.473 1376 Q N -1.418 118.477 119.800 0.158 0.000 2.287 1376 Q HA 0.025 4.366 4.340 0.001 0.000 0.201 1376 Q C 1.800 177.872 176.000 0.120 0.000 0.946 1376 Q CA 1.486 57.358 55.803 0.115 0.000 0.868 1376 Q CB 0.393 29.182 28.738 0.085 0.000 0.967 1376 Q HN 0.505 nan 8.270 nan 0.000 0.516 1377 C N -2.651 116.737 119.300 0.146 0.000 3.065 1377 C HA 0.623 5.083 4.460 0.001 0.000 0.285 1377 C C 1.581 176.661 174.990 0.150 0.000 1.257 1377 C CA 0.312 59.414 59.018 0.139 0.000 1.691 1377 C CB 0.105 27.937 27.740 0.153 0.000 2.089 1377 C HN 0.598 nan 8.230 nan 0.000 0.630 1378 G N 1.705 110.617 108.800 0.186 0.000 2.184 1378 G HA2 -0.265 3.696 3.960 0.001 0.000 0.264 1378 G HA3 -0.265 3.696 3.960 0.001 0.000 0.264 1378 G C -0.199 174.746 174.900 0.075 0.000 0.975 1378 G CA 0.497 45.700 45.100 0.171 0.000 0.642 1378 G HN 0.750 nan 8.290 nan 0.000 0.536 1379 N N -0.499 118.242 118.700 0.068 0.000 2.381 1379 N HA 0.601 5.342 4.740 0.001 0.000 0.254 1379 N C 0.202 175.443 175.510 -0.448 0.000 1.264 1379 N CA -0.279 52.667 53.050 -0.174 0.000 0.942 1379 N CB 0.737 39.107 38.487 -0.195 0.000 1.190 1379 N HN 0.245 nan 8.380 nan 0.000 0.495 1380 I N 1.483 121.574 120.570 -0.799 0.000 2.377 1380 I HA 0.393 4.564 4.170 0.001 0.000 0.293 1380 I C -0.985 174.657 176.117 -0.792 0.000 0.987 1380 I CA -0.349 60.477 61.300 -0.789 0.000 1.185 1380 I CB 0.576 38.160 38.000 -0.694 0.000 1.341 1380 I HN 0.329 nan 8.210 nan 0.000 0.455 1381 F N 3.717 123.675 119.950 0.012 0.000 2.664 1381 F HA 0.489 5.017 4.527 0.001 0.000 0.317 1381 F C 0.432 176.421 175.800 0.315 0.000 1.108 1381 F CA -0.886 57.225 58.000 0.186 0.000 0.957 1381 F CB 0.926 39.976 39.000 0.082 0.000 1.365 1381 F HN 0.485 nan 8.300 nan 0.000 0.475 1382 C N 0.024 119.651 119.300 0.545 0.000 2.553 1382 C HA 0.739 5.200 4.460 0.001 0.000 0.345 1382 C C 1.666 176.908 174.990 0.421 0.000 1.369 1382 C CA -0.006 59.309 59.018 0.496 0.000 2.447 1382 C CB 0.212 28.135 27.740 0.305 0.000 2.358 1382 C HN 1.041 nan 8.230 nan 0.000 0.676 1383 A N -0.186 122.856 122.820 0.370 0.000 1.969 1383 A HA -0.053 4.268 4.320 0.001 0.000 0.218 1383 A C 1.939 179.531 177.584 0.013 0.000 1.169 1383 A CA 1.800 53.885 52.037 0.080 0.000 0.635 1383 A CB -0.771 18.245 19.000 0.026 0.000 0.810 1383 A HN 0.955 nan 8.150 nan 0.000 0.445 1384 E N -1.296 118.935 120.200 0.051 0.000 2.347 1384 E HA -0.049 4.301 4.350 0.001 0.000 0.196 1384 E C 1.171 177.760 176.600 -0.019 0.000 1.008 1384 E CA 0.811 57.213 56.400 0.003 0.000 0.852 1384 E CB -0.228 29.480 29.700 0.013 0.000 0.783 1384 E HN 0.596 nan 8.360 nan 0.000 0.505 1385 C N 0.278 119.589 119.300 0.019 0.000 2.780 1385 C HA 0.233 4.694 4.460 0.001 0.000 0.287 1385 C C 0.814 175.702 174.990 -0.170 0.000 1.288 1385 C CA 0.125 59.119 59.018 -0.040 0.000 1.713 1385 C CB -0.933 26.857 27.740 0.083 0.000 1.955 1385 C HN 0.289 nan 8.230 nan 0.000 0.613 1386 S N -1.219 114.412 115.700 -0.114 0.000 2.646 1386 S HA 0.363 4.834 4.470 0.001 0.000 0.217 1386 S C 0.256 174.771 174.600 -0.141 0.000 0.836 1386 S CA 0.410 58.522 58.200 -0.148 0.000 1.094 1386 S CB -0.298 62.867 63.200 -0.059 0.000 1.557 1386 S HN 0.305 nan 8.310 nan 0.000 0.449 1387 A N 1.292 124.018 122.820 -0.155 0.000 2.251 1387 A HA 0.364 4.685 4.320 0.001 0.000 0.209 1387 A C 0.616 178.099 177.584 -0.170 0.000 1.187 1387 A CA 0.185 52.132 52.037 -0.149 0.000 0.823 1387 A CB 0.018 18.939 19.000 -0.130 0.000 0.846 1387 A HN 0.547 nan 8.150 nan 0.000 0.486 1388 K N 0.728 121.001 120.400 -0.212 0.000 2.259 1388 K HA 0.434 4.754 4.320 0.001 0.000 0.252 1388 K C -1.281 175.283 176.600 -0.061 0.000 0.936 1388 K CA -0.833 55.308 56.287 -0.243 0.000 0.810 1388 K CB 1.198 33.292 32.500 -0.677 0.000 1.143 1388 K HN 0.103 nan 8.250 nan 0.000 0.427 1389 N N 0.663 119.382 118.700 0.032 0.000 2.430 1389 N HA 0.653 5.394 4.740 0.001 0.000 0.298 1389 N C -1.274 174.370 175.510 0.224 0.000 1.130 1389 N CA -0.502 52.611 53.050 0.106 0.000 0.894 1389 N CB 1.958 40.483 38.487 0.063 0.000 1.209 1389 N HN 0.689 nan 8.380 nan 0.000 0.503 1390 A N 0.742 123.670 122.820 0.180 0.000 2.594 1390 A HA 0.616 4.937 4.320 0.001 0.000 0.291 1390 A C -1.200 176.416 177.584 0.054 0.000 1.105 1390 A CA -0.628 51.486 52.037 0.129 0.000 0.694 1390 A CB 0.838 19.890 19.000 0.087 0.000 1.291 1390 A HN 0.534 nan 8.150 nan 0.000 0.410 1391 L N 2.109 123.337 121.223 0.009 0.000 2.315 1391 L HA 0.460 4.800 4.340 0.001 0.000 0.283 1391 L C 0.804 177.671 176.870 -0.005 0.000 1.089 1391 L CA 0.058 54.900 54.840 0.004 0.000 0.833 1391 L CB 0.883 42.937 42.059 -0.008 0.000 1.170 1391 L HN 0.945 nan 8.230 nan 0.000 0.442 1392 T N -0.388 114.173 114.554 0.012 0.000 2.910 1392 T HA 0.512 4.863 4.350 0.001 0.000 0.287 1392 T C -1.932 172.776 174.700 0.013 0.000 1.050 1392 T CA -1.473 60.635 62.100 0.014 0.000 1.011 1392 T CB 1.803 70.692 68.868 0.034 0.000 1.195 1392 T HN 0.382 nan 8.240 nan 0.000 0.540 1393 P HA 0.089 nan 4.420 nan 0.000 0.245 1393 P C 1.215 178.522 177.300 0.012 0.000 1.212 1393 P CA 0.306 63.412 63.100 0.010 0.000 0.774 1393 P CB 0.012 31.718 31.700 0.010 0.000 0.999 1394 S N -2.118 113.594 115.700 0.019 0.000 2.478 1394 S HA 0.130 4.601 4.470 0.001 0.000 0.222 1394 S C 0.943 175.549 174.600 0.010 0.000 1.008 1394 S CA -0.044 58.165 58.200 0.016 0.000 0.928 1394 S CB -0.288 62.929 63.200 0.028 0.000 0.781 1394 S HN 0.154 nan 8.310 nan 0.000 0.518 1395 S N -0.421 115.288 115.700 0.015 0.000 2.550 1395 S HA 0.478 4.949 4.470 0.001 0.000 0.270 1395 S C 0.056 174.663 174.600 0.012 0.000 1.145 1395 S CA -0.788 57.419 58.200 0.012 0.000 0.852 1395 S CB 1.825 65.036 63.200 0.018 0.000 1.119 1395 S HN 0.219 nan 8.310 nan 0.000 0.465 1396 K N 1.461 121.866 120.400 0.008 0.000 2.103 1396 K HA 0.124 4.445 4.320 0.001 0.000 0.204 1396 K C -0.038 176.569 176.600 0.011 0.000 1.052 1396 K CA 0.931 57.223 56.287 0.008 0.000 0.945 1396 K CB -0.060 32.443 32.500 0.005 0.000 0.722 1396 K HN 0.478 nan 8.250 nan 0.000 0.443 1397 K N 1.755 122.164 120.400 0.014 0.000 2.143 1397 K HA 0.225 4.546 4.320 0.001 0.000 0.272 1397 K C -2.530 174.087 176.600 0.027 0.000 1.001 1397 K CA -2.248 54.050 56.287 0.019 0.000 0.915 1397 K CB 1.290 33.801 32.500 0.018 0.000 1.047 1397 K HN -0.071 nan 8.250 nan 0.000 0.458 1398 P HA -0.105 nan 4.420 nan 0.000 0.265 1398 P C -0.680 176.652 177.300 0.053 0.000 1.187 1398 P CA -0.155 62.973 63.100 0.046 0.000 0.766 1398 P CB 0.530 32.263 31.700 0.053 0.000 0.820 1399 V N 0.557 120.511 119.914 0.067 0.000 3.158 1399 V HA 0.579 4.700 4.120 0.001 0.000 0.315 1399 V C 0.080 176.229 176.094 0.091 0.000 1.148 1399 V CA -1.393 60.954 62.300 0.079 0.000 1.042 1399 V CB 1.728 33.605 31.823 0.089 0.000 1.101 1399 V HN 0.338 nan 8.190 nan 0.000 0.448 1400 R N 0.682 121.241 120.500 0.099 0.000 2.491 1400 R HA 0.618 4.959 4.340 0.001 0.000 0.283 1400 R C -0.734 175.628 176.300 0.104 0.000 1.072 1400 R CA 0.176 56.328 56.100 0.085 0.000 1.048 1400 R CB 0.989 31.339 30.300 0.083 0.000 0.983 1400 R HN 1.076 nan 8.270 nan 0.000 0.450 1401 V N 1.628 121.584 119.914 0.070 0.000 3.114 1401 V HA 0.460 4.581 4.120 0.001 0.000 0.308 1401 V C 0.203 176.257 176.094 -0.067 0.000 1.168 1401 V CA -1.370 60.963 62.300 0.055 0.000 1.015 1401 V CB 0.952 32.845 31.823 0.118 0.000 1.050 1401 V HN 1.060 nan 8.190 nan 0.000 0.433 1402 C N 0.433 119.611 119.300 -0.204 0.000 2.553 1402 C HA 0.516 4.977 4.460 0.001 0.000 0.345 1402 C C 1.568 176.419 174.990 -0.232 0.000 1.369 1402 C CA 0.243 58.963 59.018 -0.498 0.000 2.447 1402 C CB 0.145 27.203 27.740 -1.136 0.000 2.358 1402 C HN 0.920 nan 8.230 nan 0.000 0.676 1403 D N 0.687 120.933 120.400 -0.257 0.000 2.117 1403 D HA -0.056 4.585 4.640 0.001 0.000 0.197 1403 D C 2.312 178.615 176.300 0.005 0.000 0.987 1403 D CA 2.153 56.090 54.000 -0.105 0.000 0.829 1403 D CB -0.648 40.079 40.800 -0.122 0.000 0.961 1403 D HN 0.801 nan 8.370 nan 0.000 0.460 1404 A N 0.374 123.166 122.820 -0.046 0.000 1.877 1404 A HA -0.190 4.131 4.320 0.001 0.000 0.216 1404 A C 2.505 180.111 177.584 0.036 0.000 1.186 1404 A CA 1.409 53.451 52.037 0.009 0.000 0.620 1404 A CB -0.960 18.047 19.000 0.011 0.000 0.822 1404 A HN 0.365 nan 8.150 nan 0.000 0.443 1405 C N -2.016 117.300 119.300 0.026 0.000 2.432 1405 C HA 0.002 4.462 4.460 0.001 0.000 0.280 1405 C C 2.378 177.403 174.990 0.059 0.000 1.353 1405 C CA 0.682 59.725 59.018 0.040 0.000 1.766 1405 C CB -1.737 26.029 27.740 0.043 0.000 1.924 1405 C HN 0.661 nan 8.230 nan 0.000 0.509 1406 F N 2.760 122.678 119.950 -0.053 0.000 2.075 1406 F HA -0.150 4.378 4.527 0.001 0.000 0.297 1406 F C 1.975 177.759 175.800 -0.027 0.000 1.113 1406 F CA 2.148 60.124 58.000 -0.041 0.000 1.218 1406 F CB -0.648 38.319 39.000 -0.056 0.000 0.984 1406 F HN 0.277 nan 8.300 nan 0.000 0.472 1407 N N -0.101 118.682 118.700 0.138 0.000 2.381 1407 N HA -0.158 4.583 4.740 0.001 0.000 0.182 1407 N C 1.097 176.583 175.510 -0.041 0.000 1.025 1407 N CA 0.966 54.040 53.050 0.041 0.000 0.888 1407 N CB -0.166 38.383 38.487 0.104 0.000 0.965 1407 N HN 0.284 nan 8.380 nan 0.000 0.438 1408 D N 0.996 121.377 120.400 -0.033 0.000 2.097 1408 D HA -0.045 4.596 4.640 0.001 0.000 0.197 1408 D C 1.639 177.899 176.300 -0.068 0.000 0.984 1408 D CA 0.710 54.690 54.000 -0.032 0.000 0.826 1408 D CB -0.278 40.517 40.800 -0.009 0.000 0.973 1408 D HN 0.233 nan 8.370 nan 0.000 0.460 1409 L N 0.455 121.609 121.223 -0.115 0.000 2.642 1409 L HA -0.128 4.213 4.340 0.001 0.000 0.236 1409 L C 0.670 177.445 176.870 -0.158 0.000 1.169 1409 L CA 0.485 55.243 54.840 -0.137 0.000 0.851 1409 L CB -0.232 41.716 42.059 -0.186 0.000 0.968 1409 L HN 0.026 nan 8.230 nan 0.000 0.453 1410 Q N -1.604 118.105 119.800 -0.152 0.000 2.324 1410 Q HA -0.176 4.165 4.340 0.001 0.000 0.200 1410 Q C 0.470 176.356 176.000 -0.190 0.000 0.645 1410 Q CA 1.157 56.884 55.803 -0.126 0.000 1.377 1410 Q CB -1.836 26.853 28.738 -0.082 0.000 1.486 1410 Q HN 0.674 nan 8.270 nan 0.000 0.796 1411 G N 0.000 108.583 108.800 -0.361 0.000 5.446 1411 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 1411 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 1411 G CA 0.000 44.785 45.100 -0.524 0.000 0.502 1411 G HN 0.000 nan 8.290 nan 0.000 0.925