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 1ki1_1_B DATA FIRST_RESID 1229 DATA SEQUENCE DMLTPTERKR QGYIHELIVT EENYVNDLQL VTEIFQKPLM ESELLTEKEV DATA SEQUENCE AMIFVNWKEL IMCNIKLLKA LRVRKKMSGE KMPVKMIGDI LSAQLPHMQP DATA SEQUENCE YIRFCSRQLN GAALIQQKTD EAPDFKEFVK RLEMDPRCKG MPLSSFILKP DATA SEQUENCE MQRVTRYPLI IKNILENTPE NHPDHSHLKH ALEKAEELCS QVNEGVREKE DATA SEQUENCE NSDRLEWIQA HVQCEGLSEQ LVFNSVTNCL GPRKFLHSGK LYKAKNNKEL DATA SEQUENCE YGFLFNDFLL LTQITKPXXX XXXXKVFSPK SNLQYMYKTP IFLNEVLVKL DATA SEQUENCE PTDPSGDXXX FHISHIDRVY TLRAESINER TAWVQKIKAA SELYIETEKK DATA SEQUENCE KR 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 1229 D HA 0.000 nan 4.640 nan 0.000 0.175 1229 D C 0.000 176.302 176.300 0.004 0.000 2.045 1229 D CA 0.000 54.000 54.000 -0.000 0.000 0.868 1229 D CB 0.000 40.796 40.800 -0.007 0.000 0.688 1230 M N 1.475 121.076 119.600 0.002 0.000 2.253 1230 M HA -0.213 4.265 4.480 -0.003 0.000 0.195 1230 M C -1.303 175.001 176.300 0.007 0.000 0.512 1230 M CA 0.541 55.843 55.300 0.004 0.000 0.442 1230 M CB -1.078 31.525 32.600 0.006 0.000 1.189 1230 M HN 0.120 nan 8.290 nan 0.000 0.923 1231 L N 0.457 121.683 121.223 0.005 0.000 2.295 1231 L HA 0.499 4.837 4.340 -0.003 0.000 0.285 1231 L C 1.151 178.025 176.870 0.007 0.000 1.035 1231 L CA -0.673 54.172 54.840 0.008 0.000 0.806 1231 L CB 1.789 43.851 42.059 0.005 0.000 1.214 1231 L HN 0.378 nan 8.230 nan 0.000 0.426 1232 T N -0.696 113.865 114.554 0.012 0.000 2.828 1232 T HA 0.226 4.574 4.350 -0.003 0.000 0.290 1232 T C -1.865 172.841 174.700 0.010 0.000 1.019 1232 T CA -1.592 60.514 62.100 0.011 0.000 1.031 1232 T CB 1.145 70.022 68.868 0.015 0.000 1.001 1232 T HN 0.324 nan 8.240 nan 0.000 0.531 1233 P HA -0.135 nan 4.420 nan 0.000 0.216 1233 P C 1.667 178.978 177.300 0.017 0.000 1.154 1233 P CA 1.409 64.514 63.100 0.008 0.000 0.865 1233 P CB -0.270 31.436 31.700 0.010 0.000 0.789 1234 T N -0.586 113.982 114.554 0.024 0.000 2.737 1234 T HA -0.148 4.200 4.350 -0.003 0.000 0.265 1234 T C 1.618 176.339 174.700 0.035 0.000 1.038 1234 T CA 1.449 63.569 62.100 0.034 0.000 1.144 1234 T CB -0.728 68.158 68.868 0.030 0.000 0.866 1234 T HN 0.330 nan 8.240 nan 0.000 0.434 1235 E N 0.630 120.847 120.200 0.028 0.000 2.110 1235 E HA -0.138 4.210 4.350 -0.003 0.000 0.193 1235 E C 2.331 178.945 176.600 0.022 0.000 0.988 1235 E CA 0.818 57.236 56.400 0.029 0.000 0.804 1235 E CB -0.107 29.614 29.700 0.034 0.000 0.745 1235 E HN 0.359 nan 8.360 nan 0.000 0.458 1236 R N 1.504 122.011 120.500 0.011 0.000 2.090 1236 R HA -0.092 4.247 4.340 -0.003 0.000 0.228 1236 R C 1.951 178.238 176.300 -0.021 0.000 1.110 1236 R CA 1.265 57.359 56.100 -0.010 0.000 0.973 1236 R CB 0.094 30.382 30.300 -0.020 0.000 0.869 1236 R HN -0.046 nan 8.270 nan 0.000 0.440 1237 K N 0.174 120.575 120.400 0.001 0.000 2.097 1237 K HA -0.170 4.148 4.320 -0.003 0.000 0.206 1237 K C 2.255 178.916 176.600 0.102 0.000 1.049 1237 K CA 1.438 57.729 56.287 0.006 0.000 0.933 1237 K CB -0.115 32.452 32.500 0.111 0.000 0.717 1237 K HN 0.169 nan 8.250 nan 0.000 0.442 1238 R N 0.841 121.406 120.500 0.108 0.000 2.082 1238 R HA -0.177 4.161 4.340 -0.003 0.000 0.234 1238 R C 2.205 178.564 176.300 0.099 0.000 1.136 1238 R CA 1.586 57.756 56.100 0.117 0.000 0.935 1238 R CB -0.007 30.310 30.300 0.028 0.000 0.842 1238 R HN 0.110 nan 8.270 nan 0.000 0.430 1239 Q N -0.392 119.437 119.800 0.049 0.000 2.096 1239 Q HA -0.100 4.238 4.340 -0.003 0.000 0.204 1239 Q C 2.075 178.099 176.000 0.040 0.000 0.982 1239 Q CA 1.782 57.611 55.803 0.042 0.000 0.850 1239 Q CB -0.687 28.060 28.738 0.015 0.000 0.901 1239 Q HN 0.596 nan 8.270 nan 0.000 0.422 1240 G N -0.627 108.154 108.800 -0.031 0.000 2.421 1240 G HA2 -0.259 3.699 3.960 -0.003 0.000 0.216 1240 G HA3 -0.259 3.699 3.960 -0.003 0.000 0.216 1240 G C 1.215 176.078 174.900 -0.061 0.000 1.171 1240 G CA 0.607 45.648 45.100 -0.098 0.000 0.775 1240 G HN 0.379 nan 8.290 nan 0.000 0.543 1241 Y N 0.280 120.610 120.300 0.049 0.000 2.352 1241 Y HA 0.071 4.619 4.550 -0.003 0.000 0.292 1241 Y C 2.650 178.576 175.900 0.042 0.000 1.136 1241 Y CA 0.359 58.481 58.100 0.037 0.000 1.227 1241 Y CB 0.001 38.468 38.460 0.012 0.000 0.991 1241 Y HN 0.142 nan 8.280 nan 0.000 0.545 1242 I N -1.090 119.592 120.570 0.186 0.000 2.500 1242 I HA -0.283 3.885 4.170 -0.003 0.000 0.252 1242 I C 2.559 178.751 176.117 0.125 0.000 1.142 1242 I CA 1.048 62.426 61.300 0.130 0.000 1.451 1242 I CB -0.407 37.653 38.000 0.101 0.000 1.093 1242 I HN 0.377 nan 8.210 nan 0.000 0.430 1243 H N 1.230 120.322 119.070 0.037 0.000 2.357 1243 H HA -0.208 4.346 4.556 -0.003 0.000 0.301 1243 H C 2.074 177.420 175.328 0.029 0.000 1.082 1243 H CA 1.896 57.957 56.048 0.021 0.000 1.342 1243 H CB 0.241 30.001 29.762 -0.005 0.000 1.389 1243 H HN 0.402 nan 8.280 nan 0.000 0.511 1244 E N 0.671 120.882 120.200 0.019 0.000 2.110 1244 E HA -0.135 4.213 4.350 -0.003 0.000 0.193 1244 E C 2.609 179.198 176.600 -0.018 0.000 0.988 1244 E CA 0.539 56.923 56.400 -0.027 0.000 0.804 1244 E CB -0.051 29.690 29.700 0.068 0.000 0.745 1244 E HN 0.463 nan 8.360 nan 0.000 0.458 1245 L N 0.860 122.106 121.223 0.039 0.000 1.989 1245 L HA -0.219 4.119 4.340 -0.003 0.000 0.211 1245 L C 2.354 179.238 176.870 0.024 0.000 1.071 1245 L CA 1.587 56.460 54.840 0.055 0.000 0.749 1245 L CB -0.304 41.802 42.059 0.079 0.000 0.890 1245 L HN 0.311 nan 8.230 nan 0.000 0.431 1246 I N -1.009 119.553 120.570 -0.013 0.000 2.179 1246 I HA -0.278 3.890 4.170 -0.003 0.000 0.242 1246 I C 2.488 178.568 176.117 -0.062 0.000 1.088 1246 I CA 1.090 62.375 61.300 -0.026 0.000 1.357 1246 I CB -0.391 37.591 38.000 -0.031 0.000 1.051 1246 I HN 0.092 nan 8.210 nan 0.000 0.409 1247 V N 1.112 120.922 119.914 -0.173 0.000 2.343 1247 V HA -0.267 3.851 4.120 -0.003 0.000 0.247 1247 V C 2.704 178.768 176.094 -0.051 0.000 1.051 1247 V CA 2.532 64.739 62.300 -0.154 0.000 1.036 1247 V CB -1.202 30.451 31.823 -0.284 0.000 0.654 1247 V HN 0.648 nan 8.190 nan 0.000 0.451 1248 T N -2.075 112.457 114.554 -0.037 0.000 2.995 1248 T HA -0.160 4.188 4.350 -0.003 0.000 0.269 1248 T C 1.682 176.419 174.700 0.061 0.000 1.091 1248 T CA 1.408 63.510 62.100 0.004 0.000 1.128 1248 T CB -0.140 68.712 68.868 -0.026 0.000 0.891 1248 T HN 0.410 nan 8.240 nan 0.000 0.492 1249 E N 1.411 121.655 120.200 0.074 0.000 2.072 1249 E HA -0.073 4.275 4.350 -0.003 0.000 0.190 1249 E C 2.330 179.020 176.600 0.149 0.000 0.982 1249 E CA 0.897 57.389 56.400 0.154 0.000 0.803 1249 E CB -0.255 29.531 29.700 0.144 0.000 0.755 1249 E HN 0.454 nan 8.360 nan 0.000 0.453 1250 E N 0.576 120.824 120.200 0.080 0.000 2.038 1250 E HA -0.170 4.178 4.350 -0.003 0.000 0.195 1250 E C 1.776 178.419 176.600 0.073 0.000 1.000 1250 E CA 1.156 57.591 56.400 0.059 0.000 0.803 1250 E CB -0.407 29.310 29.700 0.028 0.000 0.750 1250 E HN 0.295 nan 8.360 nan 0.000 0.448 1251 N N 0.305 119.054 118.700 0.082 0.000 2.223 1251 N HA -0.162 4.576 4.740 -0.003 0.000 0.185 1251 N C 1.730 177.332 175.510 0.152 0.000 1.016 1251 N CA 0.744 53.853 53.050 0.099 0.000 0.863 1251 N CB -0.536 38.002 38.487 0.085 0.000 0.983 1251 N HN 0.251 nan 8.380 nan 0.000 0.429 1252 Y N 1.699 122.021 120.300 0.036 0.000 2.133 1252 Y HA -0.075 4.473 4.550 -0.003 0.000 0.287 1252 Y C 2.190 178.123 175.900 0.056 0.000 1.134 1252 Y CA 0.996 59.120 58.100 0.041 0.000 1.133 1252 Y CB -0.577 37.887 38.460 0.007 0.000 0.987 1252 Y HN -0.196 nan 8.280 nan 0.000 0.502 1253 V N 1.667 121.525 119.914 -0.094 0.000 2.407 1253 V HA -0.320 3.798 4.120 -0.003 0.000 0.248 1253 V C 2.478 178.515 176.094 -0.094 0.000 1.055 1253 V CA 2.141 64.332 62.300 -0.181 0.000 1.049 1253 V CB -0.916 30.884 31.823 -0.037 0.000 0.662 1253 V HN 0.583 nan 8.190 nan 0.000 0.455 1254 N N 0.296 118.989 118.700 -0.011 0.000 2.120 1254 N HA -0.210 4.528 4.740 -0.003 0.000 0.188 1254 N C 1.494 177.031 175.510 0.045 0.000 1.024 1254 N CA 1.838 54.900 53.050 0.020 0.000 0.852 1254 N CB -0.089 38.425 38.487 0.045 0.000 1.003 1254 N HN 0.448 nan 8.380 nan 0.000 0.424 1255 D N 1.000 121.453 120.400 0.087 0.000 2.178 1255 D HA -0.082 4.556 4.640 -0.003 0.000 0.202 1255 D C 2.165 178.589 176.300 0.207 0.000 0.974 1255 D CA 0.408 54.535 54.000 0.211 0.000 0.841 1255 D CB -0.202 40.810 40.800 0.353 0.000 0.953 1255 D HN 0.351 nan 8.370 nan 0.000 0.478 1256 L N 0.438 121.678 121.223 0.029 0.000 2.046 1256 L HA -0.186 4.152 4.340 -0.003 0.000 0.208 1256 L C 2.477 179.534 176.870 0.313 0.000 1.077 1256 L CA 1.168 56.089 54.840 0.134 0.000 0.747 1256 L CB -0.354 41.475 42.059 -0.382 0.000 0.896 1256 L HN -0.004 nan 8.230 nan 0.000 0.432 1257 Q N -0.339 119.520 119.800 0.098 0.000 2.172 1257 Q HA -0.129 4.209 4.340 -0.003 0.000 0.200 1257 Q C 2.371 178.383 176.000 0.020 0.000 0.964 1257 Q CA 0.953 56.795 55.803 0.064 0.000 0.855 1257 Q CB -0.000 28.743 28.738 0.009 0.000 0.918 1257 Q HN 0.515 nan 8.270 nan 0.000 0.444 1258 L N -0.241 120.987 121.223 0.007 0.000 2.017 1258 L HA -0.193 4.146 4.340 -0.003 0.000 0.208 1258 L C 2.306 179.081 176.870 -0.157 0.000 1.073 1258 L CA 0.830 55.618 54.840 -0.086 0.000 0.745 1258 L CB -0.431 41.577 42.059 -0.085 0.000 0.894 1258 L HN 0.100 nan 8.230 nan 0.000 0.432 1259 V N -0.464 119.397 119.914 -0.089 0.000 2.332 1259 V HA -0.322 3.796 4.120 -0.003 0.000 0.248 1259 V C 2.542 178.489 176.094 -0.246 0.000 1.055 1259 V CA 2.418 64.646 62.300 -0.119 0.000 1.038 1259 V CB -0.721 30.971 31.823 -0.218 0.000 0.651 1259 V HN 0.506 nan 8.190 nan 0.000 0.450 1260 T N -0.865 113.556 114.554 -0.221 0.000 2.777 1260 T HA -0.218 4.130 4.350 -0.003 0.000 0.266 1260 T C 1.874 176.434 174.700 -0.233 0.000 1.040 1260 T CA 1.746 63.683 62.100 -0.272 0.000 1.141 1260 T CB -0.165 68.649 68.868 -0.091 0.000 0.868 1260 T HN 0.624 nan 8.240 nan 0.000 0.444 1261 E N 0.835 120.928 120.200 -0.178 0.000 2.028 1261 E HA -0.098 4.251 4.350 -0.003 0.000 0.191 1261 E C 2.179 178.632 176.600 -0.246 0.000 0.988 1261 E CA 1.203 57.495 56.400 -0.180 0.000 0.799 1261 E CB -0.100 29.512 29.700 -0.147 0.000 0.755 1261 E HN 0.678 nan 8.360 nan 0.000 0.447 1262 I N -3.182 117.177 120.570 -0.352 0.000 3.783 1262 I HA 0.131 4.299 4.170 -0.003 0.000 0.310 1262 I C 1.012 176.740 176.117 -0.647 0.000 1.274 1262 I CA 0.295 61.277 61.300 -0.531 0.000 1.294 1262 I CB 0.035 37.611 38.000 -0.707 0.000 1.051 1262 I HN 0.009 nan 8.210 nan 0.000 0.435 1263 F N 0.810 120.590 119.950 -0.284 0.000 2.532 1263 F HA 0.174 4.699 4.527 -0.003 0.000 0.276 1263 F C 2.546 178.168 175.800 -0.296 0.000 0.911 1263 F CA 0.201 58.064 58.000 -0.229 0.000 1.196 1263 F CB -0.265 38.655 39.000 -0.134 0.000 1.087 1263 F HN -0.112 nan 8.300 nan 0.000 0.775 1264 Q N 1.418 120.918 119.800 -0.500 0.000 2.002 1264 Q HA -0.223 4.115 4.340 -0.003 0.000 0.204 1264 Q C 1.933 177.694 176.000 -0.398 0.000 0.988 1264 Q CA 2.122 57.326 55.803 -0.998 0.000 0.843 1264 Q CB -0.005 27.942 28.738 -1.318 0.000 0.908 1264 Q HN 0.289 nan 8.270 nan 0.000 0.420 1265 K N -0.333 119.905 120.400 -0.269 0.000 2.026 1265 K HA -0.122 4.196 4.320 -0.003 0.000 0.208 1265 K C -0.607 175.964 176.600 -0.048 0.000 1.048 1265 K CA 1.667 57.872 56.287 -0.137 0.000 0.929 1265 K CB -0.895 31.533 32.500 -0.120 0.000 0.713 1265 K HN 0.269 nan 8.250 nan 0.000 0.439 1266 P HA -0.152 nan 4.420 nan 0.000 0.215 1266 P C 1.295 178.738 177.300 0.238 0.000 1.153 1266 P CA 1.183 64.337 63.100 0.089 0.000 0.853 1266 P CB 0.061 31.754 31.700 -0.012 0.000 0.788 1267 L N -2.195 119.158 121.223 0.216 0.000 2.093 1267 L HA -0.152 4.186 4.340 -0.003 0.000 0.208 1267 L C 2.436 179.425 176.870 0.198 0.000 1.085 1267 L CA 1.270 56.296 54.840 0.310 0.000 0.755 1267 L CB -0.655 41.615 42.059 0.352 0.000 0.904 1267 L HN 0.011 nan 8.230 nan 0.000 0.435 1268 M N -0.355 119.311 119.600 0.110 0.000 2.229 1268 M HA -0.144 4.335 4.480 -0.003 0.000 0.264 1268 M C 1.836 178.169 176.300 0.055 0.000 1.063 1268 M CA 1.674 57.019 55.300 0.075 0.000 1.114 1268 M CB -0.186 32.428 32.600 0.024 0.000 1.387 1268 M HN 0.029 nan 8.290 nan 0.000 0.420 1269 E N -0.637 119.594 120.200 0.051 0.000 2.478 1269 E HA 0.035 4.383 4.350 -0.003 0.000 0.194 1269 E C 2.018 178.626 176.600 0.012 0.000 1.045 1269 E CA 0.893 57.311 56.400 0.029 0.000 0.868 1269 E CB -0.468 29.248 29.700 0.027 0.000 0.885 1269 E HN 0.712 nan 8.360 nan 0.000 0.505 1270 S N 0.760 116.469 115.700 0.017 0.000 2.428 1270 S HA -0.106 4.362 4.470 -0.003 0.000 0.230 1270 S C 0.755 175.291 174.600 -0.107 0.000 1.014 1270 S CA 0.494 58.625 58.200 -0.115 0.000 0.957 1270 S CB 0.096 63.160 63.200 -0.225 0.000 0.784 1270 S HN 0.044 nan 8.310 nan 0.000 0.499 1271 E N -0.782 119.400 120.200 -0.030 0.000 3.413 1271 E HA -0.135 4.213 4.350 -0.003 0.000 0.300 1271 E C 0.280 176.872 176.600 -0.013 0.000 0.891 1271 E CA 0.691 57.079 56.400 -0.019 0.000 1.050 1271 E CB -1.927 27.751 29.700 -0.037 0.000 1.534 1271 E HN 0.481 nan 8.360 nan 0.000 0.436 1272 L N -0.643 120.587 121.223 0.011 0.000 2.354 1272 L HA 0.152 4.490 4.340 -0.003 0.000 0.212 1272 L C 0.645 177.571 176.870 0.094 0.000 1.091 1272 L CA 1.034 55.913 54.840 0.064 0.000 0.828 1272 L CB 0.236 42.381 42.059 0.144 0.000 0.973 1272 L HN 0.057 nan 8.230 nan 0.000 0.461 1273 L N -1.469 119.815 121.223 0.101 0.000 2.354 1273 L HA 0.438 4.777 4.340 -0.003 0.000 0.264 1273 L C 0.378 177.284 176.870 0.059 0.000 1.008 1273 L CA -0.405 54.485 54.840 0.083 0.000 0.819 1273 L CB 1.142 43.283 42.059 0.136 0.000 1.339 1273 L HN 0.048 nan 8.230 nan 0.000 0.420 1274 T N -2.893 111.686 114.554 0.041 0.000 2.816 1274 T HA 0.269 4.617 4.350 -0.003 0.000 0.282 1274 T C 1.018 175.748 174.700 0.050 0.000 0.993 1274 T CA -0.536 61.585 62.100 0.035 0.000 0.994 1274 T CB 1.269 70.150 68.868 0.021 0.000 1.025 1274 T HN 0.586 nan 8.240 nan 0.000 0.529 1275 E N 0.228 120.455 120.200 0.045 0.000 2.085 1275 E HA -0.206 4.142 4.350 -0.003 0.000 0.194 1275 E C 2.077 178.713 176.600 0.060 0.000 0.994 1275 E CA 1.190 57.624 56.400 0.055 0.000 0.801 1275 E CB -0.131 29.595 29.700 0.043 0.000 0.743 1275 E HN 0.731 nan 8.360 nan 0.000 0.453 1276 K N 1.209 121.635 120.400 0.044 0.000 2.063 1276 K HA -0.222 4.096 4.320 -0.003 0.000 0.208 1276 K C 1.859 178.484 176.600 0.041 0.000 1.048 1276 K CA 1.613 57.924 56.287 0.039 0.000 0.928 1276 K CB 0.091 32.605 32.500 0.024 0.000 0.713 1276 K HN 0.105 nan 8.250 nan 0.000 0.442 1277 E N -0.175 120.049 120.200 0.040 0.000 2.107 1277 E HA -0.126 4.222 4.350 -0.003 0.000 0.191 1277 E C 2.012 178.655 176.600 0.072 0.000 0.982 1277 E CA 1.046 57.466 56.400 0.033 0.000 0.809 1277 E CB 0.116 29.825 29.700 0.015 0.000 0.756 1277 E HN 0.074 nan 8.360 nan 0.000 0.459 1278 V N 1.598 121.587 119.914 0.125 0.000 2.295 1278 V HA -0.281 3.837 4.120 -0.003 0.000 0.246 1278 V C 2.348 178.589 176.094 0.245 0.000 1.049 1278 V CA 1.945 64.381 62.300 0.227 0.000 1.024 1278 V CB -0.655 31.301 31.823 0.221 0.000 0.648 1278 V HN 0.325 nan 8.190 nan 0.000 0.447 1279 A N -0.933 121.987 122.820 0.166 0.000 2.019 1279 A HA -0.196 4.122 4.320 -0.003 0.000 0.219 1279 A C 2.188 179.834 177.584 0.103 0.000 1.164 1279 A CA 1.901 54.032 52.037 0.157 0.000 0.644 1279 A CB -0.491 18.575 19.000 0.110 0.000 0.805 1279 A HN 0.524 nan 8.150 nan 0.000 0.449 1280 M N -0.941 118.688 119.600 0.048 0.000 2.374 1280 M HA 0.000 4.479 4.480 -0.003 0.000 0.264 1280 M C 1.731 177.987 176.300 -0.073 0.000 1.067 1280 M CA 1.102 56.395 55.300 -0.012 0.000 1.103 1280 M CB -0.282 32.302 32.600 -0.025 0.000 1.402 1280 M HN 0.424 nan 8.290 nan 0.000 0.444 1281 I N -1.506 119.000 120.570 -0.106 0.000 2.429 1281 I HA -0.124 4.044 4.170 -0.003 0.000 0.247 1281 I C 1.395 177.259 176.117 -0.421 0.000 1.099 1281 I CA 1.115 62.206 61.300 -0.348 0.000 1.422 1281 I CB -0.069 37.583 38.000 -0.580 0.000 1.112 1281 I HN 0.122 nan 8.210 nan 0.000 0.430 1282 F N -0.036 119.978 119.950 0.107 0.000 2.746 1282 F HA 0.127 4.652 4.527 -0.003 0.000 0.297 1282 F C 1.544 177.576 175.800 0.387 0.000 1.113 1282 F CA -0.148 57.986 58.000 0.223 0.000 1.367 1282 F CB -0.265 38.776 39.000 0.068 0.000 1.111 1282 F HN -0.233 nan 8.300 nan 0.000 0.590 1283 V N 0.520 120.639 119.914 0.341 0.000 0.690 1283 V HA -0.492 3.626 4.120 -0.003 0.000 0.092 1283 V C 1.094 177.395 176.094 0.345 0.000 0.785 1283 V CA 1.906 64.371 62.300 0.275 0.000 3.100 1283 V CB -1.342 30.585 31.823 0.174 0.000 0.192 1283 V HN 0.619 nan 8.190 nan 0.000 0.093 1284 N N 0.141 119.069 118.700 0.381 0.000 2.451 1284 N HA -0.017 4.721 4.740 -0.003 0.000 0.264 1284 N C 0.991 176.649 175.510 0.246 0.000 1.167 1284 N CA 0.237 53.446 53.050 0.266 0.000 0.898 1284 N CB -0.302 38.282 38.487 0.162 0.000 1.176 1284 N HN 0.892 nan 8.380 nan 0.000 0.507 1285 W N 1.956 123.347 121.300 0.152 0.000 2.308 1285 W HA -0.239 4.420 4.660 -0.003 0.000 0.301 1285 W C 1.530 178.019 176.519 -0.050 0.000 1.220 1285 W CA 1.717 59.064 57.345 0.003 0.000 1.240 1285 W CB 0.078 29.610 29.460 0.121 0.000 1.142 1285 W HN 0.337 nan 8.180 nan 0.000 0.521 1286 K N 0.575 121.104 120.400 0.215 0.000 2.097 1286 K HA -0.224 4.095 4.320 -0.003 0.000 0.206 1286 K C 1.921 178.520 176.600 -0.002 0.000 1.049 1286 K CA 1.808 58.153 56.287 0.097 0.000 0.933 1286 K CB -0.425 32.130 32.500 0.092 0.000 0.717 1286 K HN 0.125 nan 8.250 nan 0.000 0.442 1287 E N 0.519 120.712 120.200 -0.011 0.000 2.106 1287 E HA -0.151 4.197 4.350 -0.003 0.000 0.192 1287 E C 2.081 178.611 176.600 -0.117 0.000 0.984 1287 E CA 0.982 57.357 56.400 -0.041 0.000 0.806 1287 E CB -0.007 29.684 29.700 -0.016 0.000 0.750 1287 E HN 0.345 nan 8.360 nan 0.000 0.458 1288 L N 0.623 121.692 121.223 -0.256 0.000 2.046 1288 L HA -0.201 4.137 4.340 -0.003 0.000 0.208 1288 L C 2.479 179.185 176.870 -0.273 0.000 1.077 1288 L CA 0.956 55.550 54.840 -0.409 0.000 0.747 1288 L CB -0.492 41.080 42.059 -0.812 0.000 0.896 1288 L HN 0.177 nan 8.230 nan 0.000 0.432 1289 I N -0.337 120.071 120.570 -0.270 0.000 2.142 1289 I HA -0.341 3.827 4.170 -0.003 0.000 0.240 1289 I C 2.718 178.786 176.117 -0.081 0.000 1.078 1289 I CA 1.605 62.802 61.300 -0.172 0.000 1.343 1289 I CB -0.232 37.710 38.000 -0.097 0.000 1.046 1289 I HN 0.251 nan 8.210 nan 0.000 0.405 1290 M N -0.113 119.453 119.600 -0.057 0.000 2.082 1290 M HA -0.306 4.172 4.480 -0.003 0.000 0.258 1290 M C 2.750 179.040 176.300 -0.018 0.000 1.069 1290 M CA 1.945 57.226 55.300 -0.032 0.000 1.102 1290 M CB -0.875 31.709 32.600 -0.027 0.000 1.336 1290 M HN 0.544 nan 8.290 nan 0.000 0.404 1291 C N 1.434 120.732 119.300 -0.005 0.000 2.413 1291 C HA -0.163 4.295 4.460 -0.003 0.000 0.276 1291 C C 2.440 177.482 174.990 0.087 0.000 1.236 1291 C CA 1.401 60.449 59.018 0.049 0.000 1.735 1291 C CB -1.232 26.568 27.740 0.099 0.000 2.031 1291 C HN 0.535 nan 8.230 nan 0.000 0.474 1292 N N 0.368 119.126 118.700 0.098 0.000 2.354 1292 N HA 0.046 4.784 4.740 -0.003 0.000 0.179 1292 N C 1.739 177.295 175.510 0.077 0.000 1.021 1292 N CA 1.186 54.319 53.050 0.139 0.000 0.887 1292 N CB -0.188 38.428 38.487 0.215 0.000 0.974 1292 N HN 0.596 nan 8.380 nan 0.000 0.437 1293 I N 1.529 122.116 120.570 0.028 0.000 2.315 1293 I HA -0.236 3.932 4.170 -0.003 0.000 0.248 1293 I C 2.545 178.673 176.117 0.019 0.000 1.117 1293 I CA 0.995 62.304 61.300 0.015 0.000 1.404 1293 I CB -0.060 37.936 38.000 -0.006 0.000 1.071 1293 I HN 0.083 nan 8.210 nan 0.000 0.419 1294 K N 1.240 121.649 120.400 0.015 0.000 2.097 1294 K HA -0.180 4.138 4.320 -0.003 0.000 0.205 1294 K C 2.227 178.843 176.600 0.027 0.000 1.050 1294 K CA 1.123 57.415 56.287 0.008 0.000 0.938 1294 K CB 0.029 32.519 32.500 -0.016 0.000 0.718 1294 K HN 0.284 nan 8.250 nan 0.000 0.442 1295 L N 1.058 122.309 121.223 0.047 0.000 2.072 1295 L HA -0.132 4.206 4.340 -0.003 0.000 0.205 1295 L C 2.259 179.154 176.870 0.042 0.000 1.079 1295 L CA 1.018 55.884 54.840 0.044 0.000 0.752 1295 L CB -0.249 41.841 42.059 0.052 0.000 0.906 1295 L HN 0.371 nan 8.230 nan 0.000 0.436 1296 L N 0.016 121.272 121.223 0.055 0.000 2.017 1296 L HA -0.286 4.052 4.340 -0.003 0.000 0.208 1296 L C 2.660 179.549 176.870 0.031 0.000 1.073 1296 L CA 1.621 56.491 54.840 0.050 0.000 0.745 1296 L CB -0.263 41.828 42.059 0.052 0.000 0.894 1296 L HN 0.312 nan 8.230 nan 0.000 0.432 1297 K N -0.467 119.947 120.400 0.024 0.000 2.063 1297 K HA -0.193 4.125 4.320 -0.003 0.000 0.208 1297 K C 2.033 178.642 176.600 0.014 0.000 1.048 1297 K CA 1.508 57.804 56.287 0.016 0.000 0.928 1297 K CB -0.204 32.302 32.500 0.010 0.000 0.713 1297 K HN 0.388 nan 8.250 nan 0.000 0.442 1298 A N 1.145 123.974 122.820 0.015 0.000 1.929 1298 A HA -0.081 4.237 4.320 -0.003 0.000 0.216 1298 A C 2.074 179.664 177.584 0.010 0.000 1.176 1298 A CA 1.030 53.072 52.037 0.010 0.000 0.628 1298 A CB -0.471 18.534 19.000 0.009 0.000 0.816 1298 A HN 0.140 nan 8.150 nan 0.000 0.444 1299 L N -1.114 120.118 121.223 0.015 0.000 2.056 1299 L HA -0.174 4.165 4.340 -0.003 0.000 0.207 1299 L C 2.864 179.746 176.870 0.021 0.000 1.078 1299 L CA 1.408 56.258 54.840 0.018 0.000 0.749 1299 L CB -0.489 41.586 42.059 0.027 0.000 0.901 1299 L HN 0.351 nan 8.230 nan 0.000 0.433 1300 R N -0.592 119.921 120.500 0.021 0.000 2.081 1300 R HA -0.116 4.222 4.340 -0.003 0.000 0.235 1300 R C 2.271 178.582 176.300 0.018 0.000 1.131 1300 R CA 1.107 57.220 56.100 0.021 0.000 0.960 1300 R CB -0.475 29.837 30.300 0.019 0.000 0.856 1300 R HN 0.154 nan 8.270 nan 0.000 0.436 1301 V N 1.056 120.979 119.914 0.014 0.000 2.295 1301 V HA -0.266 3.852 4.120 -0.003 0.000 0.246 1301 V C 2.397 178.498 176.094 0.012 0.000 1.049 1301 V CA 1.929 64.236 62.300 0.011 0.000 1.024 1301 V CB -0.468 31.360 31.823 0.008 0.000 0.648 1301 V HN 0.211 nan 8.190 nan 0.000 0.447 1302 R N 1.044 121.550 120.500 0.011 0.000 2.081 1302 R HA -0.181 4.157 4.340 -0.003 0.000 0.235 1302 R C 2.147 178.459 176.300 0.020 0.000 1.131 1302 R CA 1.934 58.041 56.100 0.012 0.000 0.960 1302 R CB -0.640 29.665 30.300 0.008 0.000 0.856 1302 R HN 0.408 nan 8.270 nan 0.000 0.436 1303 K N 0.708 121.123 120.400 0.025 0.000 2.057 1303 K HA -0.099 4.219 4.320 -0.003 0.000 0.207 1303 K C 1.676 178.293 176.600 0.029 0.000 1.049 1303 K CA 1.948 58.255 56.287 0.033 0.000 0.931 1303 K CB -0.082 32.441 32.500 0.039 0.000 0.714 1303 K HN 0.237 nan 8.250 nan 0.000 0.440 1304 K N -0.083 120.331 120.400 0.023 0.000 2.026 1304 K HA -0.114 4.204 4.320 -0.003 0.000 0.208 1304 K C 2.234 178.844 176.600 0.017 0.000 1.048 1304 K CA 1.786 58.085 56.287 0.020 0.000 0.929 1304 K CB -0.255 32.255 32.500 0.016 0.000 0.713 1304 K HN 0.252 nan 8.250 nan 0.000 0.439 1305 M N 0.935 120.544 119.600 0.015 0.000 2.108 1305 M HA -0.216 4.262 4.480 -0.003 0.000 0.261 1305 M C 1.863 178.172 176.300 0.015 0.000 1.066 1305 M CA 1.730 57.038 55.300 0.013 0.000 1.107 1305 M CB -0.036 32.570 32.600 0.011 0.000 1.356 1305 M HN 0.008 nan 8.290 nan 0.000 0.406 1306 S N 0.265 115.977 115.700 0.020 0.000 2.365 1306 S HA 0.073 4.541 4.470 -0.003 0.000 0.225 1306 S C 0.948 175.561 174.600 0.021 0.000 1.039 1306 S CA 1.047 59.261 58.200 0.024 0.000 1.033 1306 S CB -0.667 62.552 63.200 0.031 0.000 0.887 1306 S HN 0.855 nan 8.310 nan 0.000 0.447 1307 G N 0.268 109.080 108.800 0.020 0.000 2.528 1307 G HA2 0.051 4.009 3.960 -0.003 0.000 0.681 1307 G HA3 0.051 4.009 3.960 -0.003 0.000 0.681 1307 G C -0.067 174.843 174.900 0.018 0.000 1.340 1307 G CA 0.005 45.116 45.100 0.017 0.000 0.855 1307 G HN 0.042 nan 8.290 nan 0.000 0.649 1308 E N 0.407 120.616 120.200 0.015 0.000 2.103 1308 E HA -0.211 4.137 4.350 -0.003 0.000 0.229 1308 E C 1.658 178.265 176.600 0.012 0.000 1.061 1308 E CA 2.393 58.801 56.400 0.014 0.000 0.916 1308 E CB -0.093 29.613 29.700 0.009 0.000 0.806 1308 E HN 0.594 nan 8.360 nan 0.000 0.489 1309 K N -0.833 119.571 120.400 0.007 0.000 3.010 1309 K HA 0.239 4.557 4.320 -0.003 0.000 0.211 1309 K C -0.656 175.946 176.600 0.003 0.000 1.146 1309 K CA -0.312 55.975 56.287 0.001 0.000 1.070 1309 K CB 0.740 33.237 32.500 -0.005 0.000 0.908 1309 K HN 0.073 nan 8.250 nan 0.000 0.463 1310 M N 1.941 121.548 119.600 0.011 0.000 2.578 1310 M HA 0.399 4.877 4.480 -0.003 0.000 0.321 1310 M C -2.472 173.841 176.300 0.022 0.000 1.182 1310 M CA -2.918 52.391 55.300 0.015 0.000 0.965 1310 M CB 0.802 33.412 32.600 0.016 0.000 1.694 1310 M HN -0.031 nan 8.290 nan 0.000 0.461 1311 P HA 0.161 nan 4.420 nan 0.000 0.280 1311 P C -0.485 176.847 177.300 0.052 0.000 1.244 1311 P CA -0.374 62.750 63.100 0.040 0.000 0.784 1311 P CB 1.037 32.765 31.700 0.046 0.000 0.913 1312 V N 4.667 124.617 119.914 0.060 0.000 2.470 1312 V HA 0.034 4.152 4.120 -0.003 0.000 0.276 1312 V C 1.327 177.477 176.094 0.093 0.000 1.040 1312 V CA 0.220 62.558 62.300 0.064 0.000 1.008 1312 V CB -0.103 31.757 31.823 0.061 0.000 0.990 1312 V HN 0.504 nan 8.190 nan 0.000 0.477 1313 K N 5.514 125.971 120.400 0.095 0.000 2.167 1313 K HA 0.231 4.549 4.320 -0.003 0.000 0.203 1313 K C 0.253 176.978 176.600 0.208 0.000 1.052 1313 K CA 0.985 57.359 56.287 0.146 0.000 0.956 1313 K CB 0.159 32.695 32.500 0.061 0.000 0.735 1313 K HN 0.620 nan 8.250 nan 0.000 0.451 1314 M N -0.074 119.596 119.600 0.117 0.000 2.386 1314 M HA 0.239 4.717 4.480 -0.003 0.000 0.293 1314 M C -0.556 175.768 176.300 0.040 0.000 1.120 1314 M CA -0.279 55.080 55.300 0.098 0.000 0.909 1314 M CB 2.639 35.270 32.600 0.053 0.000 1.661 1314 M HN -0.061 nan 8.290 nan 0.000 0.452 1315 I N 0.467 121.053 120.570 0.026 0.000 5.046 1315 I HA 0.287 4.455 4.170 -0.003 0.000 0.341 1315 I C 1.644 177.744 176.117 -0.029 0.000 1.257 1315 I CA 0.825 62.124 61.300 -0.002 0.000 1.421 1315 I CB 0.663 38.673 38.000 0.018 0.000 1.495 1315 I HN 0.800 nan 8.210 nan 0.000 0.518 1316 G N 1.194 109.987 108.800 -0.011 0.000 2.432 1316 G HA2 -0.263 3.695 3.960 -0.003 0.000 0.219 1316 G HA3 -0.263 3.695 3.960 -0.003 0.000 0.219 1316 G C 1.266 176.134 174.900 -0.054 0.000 1.135 1316 G CA 1.207 46.308 45.100 0.002 0.000 0.767 1316 G HN 0.558 nan 8.290 nan 0.000 0.550 1317 D N 1.046 121.284 120.400 -0.270 0.000 2.144 1317 D HA -0.115 4.523 4.640 -0.003 0.000 0.199 1317 D C 2.387 178.581 176.300 -0.177 0.000 0.984 1317 D CA 0.575 54.302 54.000 -0.456 0.000 0.834 1317 D CB -0.494 39.864 40.800 -0.737 0.000 0.955 1317 D HN 0.422 nan 8.370 nan 0.000 0.465 1318 I N 0.426 120.920 120.570 -0.125 0.000 2.202 1318 I HA -0.215 3.953 4.170 -0.003 0.000 0.242 1318 I C 2.732 178.806 176.117 -0.073 0.000 1.091 1318 I CA 0.663 61.918 61.300 -0.074 0.000 1.368 1318 I CB -0.177 37.792 38.000 -0.051 0.000 1.058 1318 I HN -0.060 nan 8.210 nan 0.000 0.410 1319 L N -0.335 120.839 121.223 -0.083 0.000 2.017 1319 L HA -0.242 4.096 4.340 -0.003 0.000 0.208 1319 L C 2.751 179.558 176.870 -0.105 0.000 1.073 1319 L CA 1.518 56.287 54.840 -0.118 0.000 0.745 1319 L CB -0.686 41.303 42.059 -0.117 0.000 0.894 1319 L HN 0.238 nan 8.230 nan 0.000 0.432 1320 S N -0.415 115.255 115.700 -0.051 0.000 2.383 1320 S HA -0.217 4.251 4.470 -0.003 0.000 0.229 1320 S C 2.013 176.578 174.600 -0.058 0.000 1.030 1320 S CA 1.429 59.620 58.200 -0.015 0.000 1.002 1320 S CB -0.095 63.166 63.200 0.101 0.000 0.829 1320 S HN 0.463 nan 8.310 nan 0.000 0.467 1321 A N -0.284 122.498 122.820 -0.063 0.000 2.016 1321 A HA 0.093 4.412 4.320 -0.003 0.000 0.217 1321 A C 2.066 179.556 177.584 -0.156 0.000 1.162 1321 A CA 1.301 53.286 52.037 -0.088 0.000 0.662 1321 A CB -0.526 18.453 19.000 -0.036 0.000 0.812 1321 A HN 0.530 nan 8.150 nan 0.000 0.450 1322 Q N -0.314 119.424 119.800 -0.102 0.000 2.089 1322 Q HA 0.157 4.495 4.340 -0.003 0.000 0.195 1322 Q C 1.880 177.802 176.000 -0.131 0.000 0.963 1322 Q CA 0.896 56.668 55.803 -0.052 0.000 0.834 1322 Q CB -0.409 28.312 28.738 -0.028 0.000 0.906 1322 Q HN 0.618 nan 8.270 nan 0.000 0.452 1323 L N 0.733 121.849 121.223 -0.177 0.000 2.103 1323 L HA -0.227 4.111 4.340 -0.003 0.000 0.215 1323 L C -0.784 176.007 176.870 -0.133 0.000 1.080 1323 L CA 1.510 56.242 54.840 -0.181 0.000 0.764 1323 L CB -1.307 40.639 42.059 -0.188 0.000 0.890 1323 L HN 0.237 nan 8.230 nan 0.000 0.435 1324 P HA -0.125 nan 4.420 nan 0.000 0.226 1324 P C 0.978 178.214 177.300 -0.106 0.000 1.153 1324 P CA 1.148 64.148 63.100 -0.167 0.000 0.777 1324 P CB -0.034 31.526 31.700 -0.233 0.000 0.794 1325 H N -1.696 117.377 119.070 0.004 0.000 2.543 1325 H HA 0.209 4.763 4.556 -0.003 0.000 0.269 1325 H C 1.262 176.629 175.328 0.065 0.000 1.005 1325 H CA 0.691 56.756 56.048 0.027 0.000 1.146 1325 H CB -0.205 29.569 29.762 0.020 0.000 1.353 1325 H HN 0.212 nan 8.280 nan 0.000 0.595 1326 M N 0.118 119.813 119.600 0.159 0.000 2.505 1326 M HA 0.039 4.517 4.480 -0.003 0.000 0.230 1326 M C 1.277 177.735 176.300 0.262 0.000 1.153 1326 M CA 0.111 55.548 55.300 0.228 0.000 0.997 1326 M CB 0.294 32.952 32.600 0.097 0.000 1.606 1326 M HN 0.057 nan 8.290 nan 0.000 0.481 1327 Q N 0.579 120.482 119.800 0.172 0.000 2.217 1327 Q HA -0.134 4.204 4.340 -0.003 0.000 0.209 1327 Q C -0.637 175.466 176.000 0.172 0.000 0.988 1327 Q CA 1.617 57.509 55.803 0.148 0.000 0.878 1327 Q CB -1.785 27.015 28.738 0.103 0.000 0.909 1327 Q HN 0.375 nan 8.270 nan 0.000 0.424 1328 P HA -0.173 nan 4.420 nan 0.000 0.217 1328 P C 0.853 178.206 177.300 0.089 0.000 1.148 1328 P CA 1.136 64.292 63.100 0.093 0.000 0.828 1328 P CB -0.290 31.424 31.700 0.023 0.000 0.783 1329 Y N -1.213 119.151 120.300 0.106 0.000 2.333 1329 Y HA -0.155 4.393 4.550 -0.003 0.000 0.290 1329 Y C 2.214 178.209 175.900 0.158 0.000 1.144 1329 Y CA 0.784 58.969 58.100 0.141 0.000 1.228 1329 Y CB -0.859 37.663 38.460 0.104 0.000 0.985 1329 Y HN -0.037 nan 8.280 nan 0.000 0.542 1330 I N -0.403 120.316 120.570 0.249 0.000 2.142 1330 I HA -0.327 3.841 4.170 -0.003 0.000 0.240 1330 I C 2.683 178.877 176.117 0.128 0.000 1.078 1330 I CA 1.476 62.874 61.300 0.162 0.000 1.343 1330 I CB -0.408 37.662 38.000 0.116 0.000 1.046 1330 I HN 0.093 nan 8.210 nan 0.000 0.405 1331 R N 0.683 121.254 120.500 0.119 0.000 2.083 1331 R HA -0.237 4.101 4.340 -0.003 0.000 0.237 1331 R C 2.477 178.828 176.300 0.085 0.000 1.137 1331 R CA 1.909 58.062 56.100 0.088 0.000 0.951 1331 R CB -0.455 29.898 30.300 0.088 0.000 0.851 1331 R HN 0.228 nan 8.270 nan 0.000 0.434 1332 F N 0.890 120.853 119.950 0.022 0.000 2.046 1332 F HA -0.290 4.235 4.527 -0.002 0.000 0.297 1332 F C 2.281 178.115 175.800 0.056 0.000 1.123 1332 F CA 1.874 59.890 58.000 0.027 0.000 1.199 1332 F CB -0.617 38.355 39.000 -0.047 0.000 0.972 1332 F HN 0.094 nan 8.300 nan 0.000 0.474 1333 C N 0.295 119.677 119.300 0.135 0.000 2.422 1333 C HA -0.127 4.331 4.460 -0.003 0.000 0.279 1333 C C 3.126 178.081 174.990 -0.058 0.000 1.305 1333 C CA 1.287 60.336 59.018 0.052 0.000 1.757 1333 C CB -1.750 26.112 27.740 0.203 0.000 1.962 1333 C HN 0.711 nan 8.230 nan 0.000 0.499 1334 S N 0.411 116.092 115.700 -0.032 0.000 2.515 1334 S HA -0.032 4.436 4.470 -0.003 0.000 0.231 1334 S C 1.548 176.095 174.600 -0.089 0.000 0.987 1334 S CA 0.851 59.027 58.200 -0.040 0.000 0.936 1334 S CB -0.350 62.847 63.200 -0.005 0.000 0.766 1334 S HN 0.726 nan 8.310 nan 0.000 0.528 1335 R N 0.401 120.802 120.500 -0.166 0.000 2.446 1335 R HA 0.200 4.538 4.340 -0.003 0.000 0.254 1335 R C 2.304 178.445 176.300 -0.265 0.000 0.918 1335 R CA 0.494 56.486 56.100 -0.179 0.000 1.069 1335 R CB 0.025 30.239 30.300 -0.143 0.000 1.194 1335 R HN 0.728 nan 8.270 nan 0.000 0.534 1336 Q N 0.720 120.278 119.800 -0.403 0.000 2.119 1336 Q HA -0.152 4.186 4.340 -0.003 0.000 0.201 1336 Q C 1.737 177.619 176.000 -0.196 0.000 0.972 1336 Q CA 1.229 56.784 55.803 -0.413 0.000 0.847 1336 Q CB -0.187 28.247 28.738 -0.507 0.000 0.903 1336 Q HN 0.191 nan 8.270 nan 0.000 0.433 1337 L N 2.217 123.357 121.223 -0.140 0.000 2.012 1337 L HA -0.175 4.163 4.340 -0.003 0.000 0.210 1337 L C 1.733 178.548 176.870 -0.091 0.000 1.073 1337 L CA 1.902 56.687 54.840 -0.092 0.000 0.748 1337 L CB -0.710 41.304 42.059 -0.076 0.000 0.891 1337 L HN 0.271 nan 8.230 nan 0.000 0.431 1338 N N -0.284 118.358 118.700 -0.097 0.000 2.381 1338 N HA -0.091 4.647 4.740 -0.003 0.000 0.182 1338 N C 1.701 177.157 175.510 -0.090 0.000 1.025 1338 N CA 1.165 54.167 53.050 -0.081 0.000 0.888 1338 N CB -0.445 38.001 38.487 -0.068 0.000 0.965 1338 N HN 0.545 nan 8.380 nan 0.000 0.438 1339 G N 0.385 109.114 108.800 -0.119 0.000 2.408 1339 G HA2 0.002 3.961 3.960 -0.003 0.000 0.215 1339 G HA3 0.002 3.961 3.960 -0.003 0.000 0.215 1339 G C 1.657 176.484 174.900 -0.121 0.000 1.156 1339 G CA 0.722 45.741 45.100 -0.135 0.000 0.793 1339 G HN 0.385 nan 8.290 nan 0.000 0.535 1340 A N 1.358 124.118 122.820 -0.101 0.000 1.898 1340 A HA 0.311 4.629 4.320 -0.003 0.000 0.216 1340 A C 2.796 180.344 177.584 -0.060 0.000 1.181 1340 A CA 2.117 54.111 52.037 -0.072 0.000 0.620 1340 A CB -0.800 18.169 19.000 -0.051 0.000 0.819 1340 A HN 0.703 nan 8.150 nan 0.000 0.442 1341 A N -0.202 122.582 122.820 -0.061 0.000 1.908 1341 A HA -0.086 4.232 4.320 -0.003 0.000 0.218 1341 A C 2.149 179.694 177.584 -0.065 0.000 1.181 1341 A CA 1.630 53.635 52.037 -0.053 0.000 0.627 1341 A CB -0.563 18.407 19.000 -0.050 0.000 0.818 1341 A HN 0.566 nan 8.150 nan 0.000 0.445 1342 L N 0.042 121.216 121.223 -0.080 0.000 2.017 1342 L HA -0.144 4.195 4.340 -0.003 0.000 0.208 1342 L C 2.271 179.052 176.870 -0.149 0.000 1.073 1342 L CA 2.061 56.836 54.840 -0.109 0.000 0.745 1342 L CB -0.917 41.080 42.059 -0.104 0.000 0.894 1342 L HN 0.473 nan 8.230 nan 0.000 0.432 1343 I N -0.036 120.476 120.570 -0.097 0.000 2.163 1343 I HA -0.341 3.827 4.170 -0.003 0.000 0.243 1343 I C 2.646 178.757 176.117 -0.010 0.000 1.085 1343 I CA 1.375 62.661 61.300 -0.022 0.000 1.347 1343 I CB -0.280 37.747 38.000 0.045 0.000 1.044 1343 I HN 0.346 nan 8.210 nan 0.000 0.408 1344 Q N 0.912 120.702 119.800 -0.017 0.000 2.061 1344 Q HA -0.283 4.055 4.340 -0.003 0.000 0.204 1344 Q C 2.130 178.111 176.000 -0.031 0.000 0.984 1344 Q CA 1.946 57.748 55.803 -0.003 0.000 0.846 1344 Q CB -0.363 28.367 28.738 -0.012 0.000 0.902 1344 Q HN 0.475 nan 8.270 nan 0.000 0.421 1345 Q N -0.510 119.248 119.800 -0.071 0.000 2.061 1345 Q HA -0.240 4.098 4.340 -0.003 0.000 0.204 1345 Q C 1.699 177.623 176.000 -0.127 0.000 0.984 1345 Q CA 1.790 57.544 55.803 -0.082 0.000 0.846 1345 Q CB -0.049 28.637 28.738 -0.086 0.000 0.902 1345 Q HN 0.092 nan 8.270 nan 0.000 0.421 1346 K N -0.248 119.994 120.400 -0.263 0.000 2.057 1346 K HA -0.071 4.247 4.320 -0.003 0.000 0.207 1346 K C 2.062 178.545 176.600 -0.195 0.000 1.049 1346 K CA 1.825 57.836 56.287 -0.459 0.000 0.931 1346 K CB -0.586 31.168 32.500 -1.244 0.000 0.714 1346 K HN 0.221 nan 8.250 nan 0.000 0.440 1347 T N 1.344 115.905 114.554 0.011 0.000 2.684 1347 T HA -0.131 4.217 4.350 -0.003 0.000 0.267 1347 T C 1.023 175.797 174.700 0.123 0.000 1.036 1347 T CA 1.785 64.032 62.100 0.244 0.000 1.148 1347 T CB -0.259 68.736 68.868 0.211 0.000 0.863 1347 T HN 0.255 nan 8.240 nan 0.000 0.436 1348 D N 1.060 121.491 120.400 0.051 0.000 2.194 1348 D HA -0.056 4.582 4.640 -0.003 0.000 0.204 1348 D C 2.156 178.470 176.300 0.023 0.000 0.964 1348 D CA 0.878 54.898 54.000 0.034 0.000 0.846 1348 D CB -0.253 40.557 40.800 0.015 0.000 0.962 1348 D HN 0.722 nan 8.370 nan 0.000 0.490 1349 E N 0.398 120.599 120.200 0.002 0.000 2.478 1349 E HA 0.248 4.596 4.350 -0.003 0.000 0.194 1349 E C 0.166 176.774 176.600 0.013 0.000 1.045 1349 E CA 0.025 56.423 56.400 -0.003 0.000 0.868 1349 E CB 0.436 30.119 29.700 -0.028 0.000 0.885 1349 E HN 0.029 nan 8.360 nan 0.000 0.505 1350 A N 2.061 124.906 122.820 0.042 0.000 2.414 1350 A HA 0.358 4.676 4.320 -0.003 0.000 0.286 1350 A C -2.166 175.492 177.584 0.124 0.000 1.073 1350 A CA -1.524 50.558 52.037 0.076 0.000 0.727 1350 A CB 1.482 20.530 19.000 0.081 0.000 1.215 1350 A HN -0.055 nan 8.150 nan 0.000 0.430 1351 P HA -0.134 nan 4.420 nan 0.000 0.217 1351 P C 0.405 177.774 177.300 0.115 0.000 1.151 1351 P CA 1.176 64.332 63.100 0.093 0.000 0.828 1351 P CB 0.322 32.059 31.700 0.062 0.000 0.788 1352 D N -0.372 120.096 120.400 0.114 0.000 2.092 1352 D HA -0.167 4.471 4.640 -0.003 0.000 0.193 1352 D C 1.903 178.308 176.300 0.176 0.000 0.994 1352 D CA 0.964 55.030 54.000 0.111 0.000 0.828 1352 D CB -1.113 39.729 40.800 0.070 0.000 0.963 1352 D HN 0.119 nan 8.370 nan 0.000 0.450 1353 F N 1.831 121.828 119.950 0.078 0.000 2.069 1353 F HA -0.227 4.299 4.527 -0.001 0.000 0.298 1353 F C 2.402 178.292 175.800 0.149 0.000 1.113 1353 F CA 1.830 59.906 58.000 0.126 0.000 1.214 1353 F CB -0.091 38.957 39.000 0.081 0.000 0.978 1353 F HN -0.197 nan 8.300 nan 0.000 0.474 1354 K N -0.091 120.474 120.400 0.276 0.000 2.074 1354 K HA -0.287 4.031 4.320 -0.003 0.000 0.209 1354 K C 2.143 178.775 176.600 0.054 0.000 1.048 1354 K CA 1.935 58.312 56.287 0.151 0.000 0.926 1354 K CB -0.293 32.300 32.500 0.155 0.000 0.713 1354 K HN 0.232 nan 8.250 nan 0.000 0.444 1355 E N 0.037 120.286 120.200 0.082 0.000 2.047 1355 E HA -0.160 4.188 4.350 -0.003 0.000 0.191 1355 E C 1.663 178.309 176.600 0.077 0.000 0.987 1355 E CA 1.133 57.576 56.400 0.071 0.000 0.799 1355 E CB -0.405 29.346 29.700 0.085 0.000 0.752 1355 E HN 0.338 nan 8.360 nan 0.000 0.449 1356 F N 0.294 120.193 119.950 -0.086 0.000 2.095 1356 F HA -0.193 4.332 4.527 -0.003 0.000 0.298 1356 F C 2.056 177.777 175.800 -0.132 0.000 1.104 1356 F CA 1.338 59.272 58.000 -0.110 0.000 1.232 1356 F CB -0.567 38.351 39.000 -0.137 0.000 0.987 1356 F HN -0.062 nan 8.300 nan 0.000 0.475 1357 V N 0.403 120.176 119.914 -0.234 0.000 2.490 1357 V HA -0.288 3.830 4.120 -0.003 0.000 0.250 1357 V C 2.327 178.361 176.094 -0.100 0.000 1.061 1357 V CA 2.026 64.171 62.300 -0.259 0.000 1.064 1357 V CB -0.692 30.929 31.823 -0.336 0.000 0.670 1357 V HN 0.292 nan 8.190 nan 0.000 0.461 1358 K N -0.252 120.107 120.400 -0.068 0.000 2.103 1358 K HA -0.082 4.237 4.320 -0.003 0.000 0.204 1358 K C 2.414 178.986 176.600 -0.047 0.000 1.052 1358 K CA 1.047 57.323 56.287 -0.018 0.000 0.945 1358 K CB -0.191 32.310 32.500 0.002 0.000 0.722 1358 K HN 0.374 nan 8.250 nan 0.000 0.443 1359 R N 0.767 121.207 120.500 -0.101 0.000 2.092 1359 R HA -0.049 4.289 4.340 -0.003 0.000 0.231 1359 R C 2.320 178.490 176.300 -0.216 0.000 1.119 1359 R CA 1.029 57.050 56.100 -0.132 0.000 0.970 1359 R CB -0.331 29.898 30.300 -0.117 0.000 0.864 1359 R HN 0.162 nan 8.270 nan 0.000 0.440 1360 L N 0.490 121.515 121.223 -0.330 0.000 2.093 1360 L HA -0.152 4.186 4.340 -0.003 0.000 0.208 1360 L C 2.916 179.565 176.870 -0.368 0.000 1.085 1360 L CA 1.760 56.347 54.840 -0.422 0.000 0.755 1360 L CB -0.710 41.058 42.059 -0.486 0.000 0.904 1360 L HN 0.369 nan 8.230 nan 0.000 0.435 1361 E N 0.116 120.272 120.200 -0.073 0.000 2.347 1361 E HA -0.155 4.194 4.350 -0.003 0.000 0.196 1361 E C 1.945 178.537 176.600 -0.014 0.000 1.008 1361 E CA 0.986 57.427 56.400 0.068 0.000 0.852 1361 E CB -0.697 29.153 29.700 0.249 0.000 0.783 1361 E HN 0.531 nan 8.360 nan 0.000 0.505 1362 M N 1.126 120.689 119.600 -0.062 0.000 2.549 1362 M HA -0.014 4.464 4.480 -0.003 0.000 0.260 1362 M C 0.878 177.136 176.300 -0.070 0.000 1.076 1362 M CA 0.457 55.729 55.300 -0.047 0.000 1.090 1362 M CB -0.096 32.475 32.600 -0.050 0.000 1.418 1362 M HN 0.176 nan 8.290 nan 0.000 0.486 1363 D N 2.199 122.520 120.400 -0.132 0.000 2.472 1363 D HA -0.021 4.617 4.640 -0.003 0.000 0.248 1363 D C -1.532 174.725 176.300 -0.072 0.000 1.174 1363 D CA -1.184 52.735 54.000 -0.135 0.000 0.883 1363 D CB 1.035 41.697 40.800 -0.230 0.000 1.149 1363 D HN 0.084 nan 8.370 nan 0.000 0.488 1364 P HA -0.173 nan 4.420 nan 0.000 0.220 1364 P C 0.926 178.233 177.300 0.010 0.000 1.144 1364 P CA 0.965 64.060 63.100 -0.009 0.000 0.800 1364 P CB 0.234 31.927 31.700 -0.012 0.000 0.772 1365 R N -0.920 119.572 120.500 -0.013 0.000 2.237 1365 R HA -0.022 4.316 4.340 -0.003 0.000 0.219 1365 R C 2.295 178.649 176.300 0.090 0.000 1.080 1365 R CA 0.977 57.086 56.100 0.014 0.000 0.995 1365 R CB -1.038 29.242 30.300 -0.034 0.000 0.875 1365 R HN 0.240 nan 8.270 nan 0.000 0.462 1366 C N 0.715 120.073 119.300 0.096 0.000 2.456 1366 C HA 0.090 4.548 4.460 -0.003 0.000 0.279 1366 C C 0.441 175.620 174.990 0.315 0.000 1.427 1366 C CA -0.163 59.038 59.018 0.304 0.000 1.778 1366 C CB -0.407 27.484 27.740 0.252 0.000 1.842 1366 C HN 0.469 nan 8.230 nan 0.000 0.531 1367 K N -0.359 120.139 120.400 0.163 0.000 3.069 1367 K HA -0.220 4.098 4.320 -0.003 0.000 0.267 1367 K C 0.965 177.624 176.600 0.098 0.000 1.082 1367 K CA 0.909 57.261 56.287 0.110 0.000 0.782 1367 K CB -2.094 30.466 32.500 0.101 0.000 1.230 1367 K HN 0.958 nan 8.250 nan 0.000 0.488 1368 G N -0.983 107.883 108.800 0.111 0.000 2.179 1368 G HA2 -0.316 3.643 3.960 -0.003 0.000 0.260 1368 G HA3 -0.316 3.643 3.960 -0.003 0.000 0.260 1368 G C 0.123 175.088 174.900 0.107 0.000 0.977 1368 G CA 0.626 45.781 45.100 0.091 0.000 0.641 1368 G HN 0.196 nan 8.290 nan 0.000 0.533 1369 M N 1.362 121.060 119.600 0.162 0.000 2.318 1369 M HA 0.445 4.923 4.480 -0.003 0.000 0.347 1369 M C -1.880 174.601 176.300 0.301 0.000 1.175 1369 M CA -2.742 52.636 55.300 0.129 0.000 1.075 1369 M CB 0.853 33.398 32.600 -0.092 0.000 1.614 1369 M HN 0.062 nan 8.290 nan 0.000 0.456 1370 P HA 0.163 nan 4.420 nan 0.000 0.278 1370 P C 0.740 178.136 177.300 0.159 0.000 1.266 1370 P CA -0.596 62.610 63.100 0.177 0.000 0.807 1370 P CB 1.045 32.786 31.700 0.069 0.000 1.094 1371 L N 2.068 123.162 121.223 -0.215 0.000 2.013 1371 L HA -0.227 4.111 4.340 -0.003 0.000 0.212 1371 L C 2.418 179.183 176.870 -0.175 0.000 1.073 1371 L CA 2.994 57.454 54.840 -0.632 0.000 0.753 1371 L CB -1.921 39.514 42.059 -1.040 0.000 0.890 1371 L HN 0.525 nan 8.230 nan 0.000 0.432 1372 S N -1.229 114.406 115.700 -0.107 0.000 2.420 1372 S HA -0.210 4.258 4.470 -0.003 0.000 0.237 1372 S C 2.007 176.623 174.600 0.026 0.000 1.023 1372 S CA 1.372 59.550 58.200 -0.036 0.000 0.991 1372 S CB -1.215 61.971 63.200 -0.023 0.000 0.792 1372 S HN 0.752 nan 8.310 nan 0.000 0.488 1373 S N 0.651 116.372 115.700 0.035 0.000 2.425 1373 S HA 0.136 4.604 4.470 -0.003 0.000 0.225 1373 S C 1.498 176.100 174.600 0.004 0.000 1.024 1373 S CA 0.230 58.421 58.200 -0.014 0.000 0.951 1373 S CB -0.926 62.211 63.200 -0.106 0.000 0.796 1373 S HN 0.471 nan 8.310 nan 0.000 0.498 1374 F N 1.913 121.903 119.950 0.066 0.000 2.259 1374 F HA 0.197 4.722 4.527 -0.003 0.000 0.298 1374 F C 2.143 178.128 175.800 0.307 0.000 1.088 1374 F CA 0.352 58.458 58.000 0.176 0.000 1.358 1374 F CB -0.339 38.756 39.000 0.157 0.000 1.040 1374 F HN 0.166 nan 8.300 nan 0.000 0.505 1375 I N 0.097 120.901 120.570 0.390 0.000 2.530 1375 I HA -0.260 3.908 4.170 -0.003 0.000 0.257 1375 I C 2.120 178.536 176.117 0.499 0.000 1.179 1375 I CA 1.421 63.010 61.300 0.482 0.000 1.440 1375 I CB -1.135 37.005 38.000 0.232 0.000 1.087 1375 I HN 0.233 nan 8.210 nan 0.000 0.440 1376 L N -0.047 121.361 121.223 0.310 0.000 2.395 1376 L HA -0.110 4.229 4.340 -0.003 0.000 0.218 1376 L C 2.320 179.324 176.870 0.224 0.000 1.130 1376 L CA 0.541 55.521 54.840 0.233 0.000 0.826 1376 L CB -0.372 41.757 42.059 0.117 0.000 0.941 1376 L HN 0.192 nan 8.230 nan 0.000 0.451 1377 K N 0.277 120.837 120.400 0.266 0.000 2.103 1377 K HA -0.170 4.149 4.320 -0.003 0.000 0.207 1377 K C -0.511 176.222 176.600 0.221 0.000 1.048 1377 K CA 1.309 57.743 56.287 0.246 0.000 0.930 1377 K CB -0.946 31.783 32.500 0.382 0.000 0.716 1377 K HN 0.277 nan 8.250 nan 0.000 0.444 1378 P HA -0.183 nan 4.420 nan 0.000 0.215 1378 P C 1.428 178.885 177.300 0.261 0.000 1.157 1378 P CA 1.028 64.269 63.100 0.236 0.000 0.863 1378 P CB 0.017 31.599 31.700 -0.197 0.000 0.787 1379 M N -0.236 119.512 119.600 0.245 0.000 2.117 1379 M HA -0.210 4.268 4.480 -0.003 0.000 0.262 1379 M C 1.769 178.082 176.300 0.021 0.000 1.065 1379 M CA 1.999 57.396 55.300 0.163 0.000 1.114 1379 M CB -1.103 31.594 32.600 0.162 0.000 1.361 1379 M HN -0.018 nan 8.290 nan 0.000 0.408 1380 Q N -0.576 119.222 119.800 -0.004 0.000 2.124 1380 Q HA -0.213 4.125 4.340 -0.003 0.000 0.202 1380 Q C 2.138 177.997 176.000 -0.235 0.000 0.977 1380 Q CA 1.616 57.365 55.803 -0.089 0.000 0.850 1380 Q CB -0.265 28.436 28.738 -0.061 0.000 0.901 1380 Q HN 0.386 nan 8.270 nan 0.000 0.429 1381 R N 0.818 121.106 120.500 -0.353 0.000 2.073 1381 R HA -0.134 4.204 4.340 -0.003 0.000 0.234 1381 R C 2.186 178.054 176.300 -0.720 0.000 1.134 1381 R CA 1.726 57.400 56.100 -0.709 0.000 0.952 1381 R CB -0.753 28.868 30.300 -1.131 0.000 0.850 1381 R HN 0.290 nan 8.270 nan 0.000 0.433 1382 V N -1.500 118.144 119.914 -0.450 0.000 2.343 1382 V HA -0.171 3.948 4.120 -0.003 0.000 0.247 1382 V C 1.972 177.963 176.094 -0.173 0.000 1.051 1382 V CA 2.190 64.316 62.300 -0.290 0.000 1.036 1382 V CB -1.800 29.879 31.823 -0.241 0.000 0.654 1382 V HN 0.522 nan 8.190 nan 0.000 0.451 1383 T N -2.165 112.294 114.554 -0.158 0.000 3.113 1383 T HA 0.016 4.364 4.350 -0.003 0.000 0.263 1383 T C 1.810 176.431 174.700 -0.131 0.000 1.143 1383 T CA 1.088 63.125 62.100 -0.105 0.000 1.090 1383 T CB -0.324 68.501 68.868 -0.072 0.000 0.922 1383 T HN 0.545 nan 8.240 nan 0.000 0.521 1384 R N -1.205 119.157 120.500 -0.230 0.000 2.254 1384 R HA 0.300 4.638 4.340 -0.003 0.000 0.193 1384 R C 1.723 177.910 176.300 -0.189 0.000 0.929 1384 R CA 0.066 56.030 56.100 -0.225 0.000 1.038 1384 R CB -0.140 29.988 30.300 -0.287 0.000 1.009 1384 R HN 0.434 nan 8.270 nan 0.000 0.512 1385 Y N 1.221 121.435 120.300 -0.144 0.000 2.114 1385 Y HA -0.189 4.359 4.550 -0.003 0.000 0.282 1385 Y C -0.658 175.178 175.900 -0.107 0.000 1.165 1385 Y CA 1.150 59.172 58.100 -0.129 0.000 1.148 1385 Y CB -1.014 37.357 38.460 -0.148 0.000 0.972 1385 Y HN 0.085 nan 8.280 nan 0.000 0.504 1386 P HA -0.208 nan 4.420 nan 0.000 0.215 1386 P C 1.398 178.675 177.300 -0.037 0.000 1.153 1386 P CA 1.596 64.695 63.100 -0.003 0.000 0.853 1386 P CB -0.091 31.598 31.700 -0.018 0.000 0.788 1387 L N -1.384 119.809 121.223 -0.051 0.000 1.994 1387 L HA -0.180 4.158 4.340 -0.003 0.000 0.208 1387 L C 2.478 179.286 176.870 -0.103 0.000 1.071 1387 L CA 1.572 56.366 54.840 -0.077 0.000 0.745 1387 L CB -0.969 41.048 42.059 -0.071 0.000 0.892 1387 L HN -0.064 nan 8.230 nan 0.000 0.431 1388 I N -0.073 120.460 120.570 -0.062 0.000 2.179 1388 I HA -0.310 3.858 4.170 -0.003 0.000 0.242 1388 I C 2.476 178.542 176.117 -0.084 0.000 1.088 1388 I CA 1.553 62.823 61.300 -0.049 0.000 1.357 1388 I CB -0.266 37.755 38.000 0.035 0.000 1.051 1388 I HN 0.186 nan 8.210 nan 0.000 0.409 1389 I N 0.656 121.199 120.570 -0.045 0.000 2.226 1389 I HA -0.296 3.873 4.170 -0.003 0.000 0.245 1389 I C 2.649 178.697 176.117 -0.116 0.000 1.100 1389 I CA 1.360 62.623 61.300 -0.062 0.000 1.374 1389 I CB -0.410 37.565 38.000 -0.041 0.000 1.057 1389 I HN 0.200 nan 8.210 nan 0.000 0.413 1390 K N 1.056 121.381 120.400 -0.126 0.000 2.032 1390 K HA -0.198 4.120 4.320 -0.003 0.000 0.209 1390 K C 1.953 178.421 176.600 -0.220 0.000 1.048 1390 K CA 1.591 57.791 56.287 -0.144 0.000 0.927 1390 K CB -0.018 32.410 32.500 -0.120 0.000 0.712 1390 K HN 0.271 nan 8.250 nan 0.000 0.441 1391 N N 0.822 119.308 118.700 -0.357 0.000 2.244 1391 N HA -0.126 4.612 4.740 -0.003 0.000 0.183 1391 N C 1.852 177.049 175.510 -0.521 0.000 1.016 1391 N CA 1.141 53.790 53.050 -0.669 0.000 0.866 1391 N CB -0.111 37.496 38.487 -1.467 0.000 0.980 1391 N HN 0.273 nan 8.380 nan 0.000 0.430 1392 I N 0.450 120.840 120.570 -0.300 0.000 2.202 1392 I HA -0.216 3.953 4.170 -0.003 0.000 0.242 1392 I C 2.230 178.285 176.117 -0.103 0.000 1.091 1392 I CA 0.502 61.741 61.300 -0.101 0.000 1.368 1392 I CB -0.161 37.816 38.000 -0.038 0.000 1.058 1392 I HN 0.043 nan 8.210 nan 0.000 0.410 1393 L N 1.149 122.293 121.223 -0.133 0.000 2.012 1393 L HA -0.218 4.121 4.340 -0.003 0.000 0.210 1393 L C 2.355 179.174 176.870 -0.084 0.000 1.073 1393 L CA 1.918 56.674 54.840 -0.140 0.000 0.748 1393 L CB -0.767 41.189 42.059 -0.173 0.000 0.891 1393 L HN 0.220 nan 8.230 nan 0.000 0.431 1394 E N -0.504 119.645 120.200 -0.086 0.000 2.331 1394 E HA -0.167 4.182 4.350 -0.003 0.000 0.199 1394 E C 0.649 177.244 176.600 -0.009 0.000 1.008 1394 E CA 0.926 57.301 56.400 -0.042 0.000 0.843 1394 E CB -0.259 29.401 29.700 -0.067 0.000 0.761 1394 E HN 0.646 nan 8.360 nan 0.000 0.507 1395 N N 0.612 119.305 118.700 -0.011 0.000 2.234 1395 N HA 0.048 4.786 4.740 -0.003 0.000 0.227 1395 N C -0.703 174.797 175.510 -0.018 0.000 1.151 1395 N CA 0.208 53.269 53.050 0.017 0.000 0.865 1395 N CB 1.399 39.930 38.487 0.074 0.000 1.066 1395 N HN -0.108 nan 8.380 nan 0.000 0.515 1396 T N 3.079 117.617 114.554 -0.027 0.000 2.833 1396 T HA 0.312 4.660 4.350 -0.003 0.000 0.297 1396 T C -2.480 172.272 174.700 0.087 0.000 1.015 1396 T CA -1.220 60.834 62.100 -0.077 0.000 0.963 1396 T CB 2.642 71.424 68.868 -0.144 0.000 0.955 1396 T HN 0.032 nan 8.240 nan 0.000 0.449 1397 P HA 0.169 nan 4.420 nan 0.000 0.270 1397 P C 0.924 178.202 177.300 -0.037 0.000 1.223 1397 P CA -0.255 62.874 63.100 0.048 0.000 0.785 1397 P CB 1.080 32.810 31.700 0.051 0.000 0.923 1398 E N 1.752 121.786 120.200 -0.277 0.000 2.147 1398 E HA -0.204 4.144 4.350 -0.003 0.000 0.199 1398 E C 1.261 177.680 176.600 -0.302 0.000 1.005 1398 E CA 1.549 57.597 56.400 -0.586 0.000 0.810 1398 E CB -0.370 29.122 29.700 -0.345 0.000 0.736 1398 E HN 0.601 nan 8.360 nan 0.000 0.460 1399 N N 0.076 118.715 118.700 -0.102 0.000 2.280 1399 N HA -0.090 4.648 4.740 -0.003 0.000 0.192 1399 N C 0.379 175.909 175.510 0.033 0.000 1.109 1399 N CA -0.066 52.963 53.050 -0.035 0.000 0.855 1399 N CB -0.433 38.034 38.487 -0.033 0.000 0.974 1399 N HN 0.183 nan 8.380 nan 0.000 0.482 1400 H N 3.178 122.246 119.070 -0.002 0.000 2.815 1400 H HA 0.102 4.656 4.556 -0.003 0.000 0.350 1400 H C -1.143 174.219 175.328 0.057 0.000 1.080 1400 H CA -0.777 55.294 56.048 0.038 0.000 1.433 1400 H CB 1.269 31.072 29.762 0.067 0.000 1.432 1400 H HN -0.069 nan 8.280 nan 0.000 0.592 1401 P HA -0.135 nan 4.420 nan 0.000 0.231 1401 P C 0.291 177.718 177.300 0.212 0.000 1.158 1401 P CA 1.084 64.193 63.100 0.014 0.000 0.763 1401 P CB 0.433 32.086 31.700 -0.078 0.000 0.805 1402 D N -2.096 118.586 120.400 0.470 0.000 2.379 1402 D HA -0.040 4.598 4.640 -0.003 0.000 0.208 1402 D C 1.689 178.107 176.300 0.197 0.000 1.065 1402 D CA 0.048 54.265 54.000 0.361 0.000 0.848 1402 D CB -0.353 40.646 40.800 0.332 0.000 0.949 1402 D HN 0.114 nan 8.370 nan 0.000 0.509 1403 H N -0.511 118.625 119.070 0.110 0.000 2.290 1403 H HA -0.044 4.511 4.556 -0.003 0.000 0.298 1403 H C 1.960 177.223 175.328 -0.109 0.000 1.087 1403 H CA 2.332 58.376 56.048 -0.007 0.000 1.291 1403 H CB 0.176 29.938 29.762 0.000 0.000 1.369 1403 H HN -0.067 nan 8.280 nan 0.000 0.492 1404 S N -0.527 115.116 115.700 -0.096 0.000 2.356 1404 S HA -0.175 4.293 4.470 -0.003 0.000 0.223 1404 S C 1.938 176.163 174.600 -0.626 0.000 1.032 1404 S CA 1.118 59.077 58.200 -0.402 0.000 1.005 1404 S CB -0.302 62.643 63.200 -0.424 0.000 0.867 1404 S HN 0.575 nan 8.310 nan 0.000 0.449 1405 H N 1.094 120.012 119.070 -0.253 0.000 2.352 1405 H HA 0.002 4.556 4.556 -0.003 0.000 0.299 1405 H C 2.117 177.365 175.328 -0.134 0.000 1.097 1405 H CA 1.165 57.128 56.048 -0.142 0.000 1.311 1405 H CB -0.511 29.230 29.762 -0.036 0.000 1.377 1405 H HN 0.320 nan 8.280 nan 0.000 0.504 1406 L N 0.478 121.667 121.223 -0.057 0.000 2.093 1406 L HA -0.134 4.204 4.340 -0.003 0.000 0.208 1406 L C 2.605 179.385 176.870 -0.150 0.000 1.085 1406 L CA 0.940 55.718 54.840 -0.104 0.000 0.755 1406 L CB -0.204 41.767 42.059 -0.148 0.000 0.904 1406 L HN 0.125 nan 8.230 nan 0.000 0.435 1407 K N -0.611 119.636 120.400 -0.255 0.000 2.057 1407 K HA -0.180 4.138 4.320 -0.003 0.000 0.207 1407 K C 2.011 178.599 176.600 -0.019 0.000 1.049 1407 K CA 1.556 57.731 56.287 -0.186 0.000 0.931 1407 K CB -0.274 32.093 32.500 -0.222 0.000 0.714 1407 K HN 0.512 nan 8.250 nan 0.000 0.440 1408 H N -0.214 118.819 119.070 -0.062 0.000 2.326 1408 H HA -0.071 4.484 4.556 -0.003 0.000 0.301 1408 H C 2.198 177.500 175.328 -0.043 0.000 1.081 1408 H CA 0.693 56.717 56.048 -0.040 0.000 1.334 1408 H CB 0.047 29.798 29.762 -0.018 0.000 1.385 1408 H HN 0.258 nan 8.280 nan 0.000 0.504 1409 A N 1.382 124.256 122.820 0.089 0.000 1.908 1409 A HA -0.158 4.160 4.320 -0.003 0.000 0.218 1409 A C 2.389 179.958 177.584 -0.025 0.000 1.181 1409 A CA 1.105 53.145 52.037 0.005 0.000 0.627 1409 A CB -0.845 18.142 19.000 -0.023 0.000 0.818 1409 A HN 0.375 nan 8.150 nan 0.000 0.445 1410 L N -0.515 120.691 121.223 -0.029 0.000 2.013 1410 L HA -0.258 4.081 4.340 -0.003 0.000 0.212 1410 L C 2.629 179.484 176.870 -0.024 0.000 1.073 1410 L CA 2.274 57.092 54.840 -0.037 0.000 0.753 1410 L CB -0.506 41.522 42.059 -0.052 0.000 0.890 1410 L HN 0.554 nan 8.230 nan 0.000 0.432 1411 E N -0.532 119.663 120.200 -0.008 0.000 2.051 1411 E HA -0.233 4.115 4.350 -0.003 0.000 0.192 1411 E C 2.141 178.728 176.600 -0.021 0.000 0.991 1411 E CA 1.097 57.493 56.400 -0.008 0.000 0.799 1411 E CB 0.071 29.776 29.700 0.008 0.000 0.748 1411 E HN 0.406 nan 8.360 nan 0.000 0.449 1412 K N 0.595 120.979 120.400 -0.027 0.000 2.026 1412 K HA -0.119 4.199 4.320 -0.003 0.000 0.208 1412 K C 2.179 178.749 176.600 -0.051 0.000 1.048 1412 K CA 1.188 57.447 56.287 -0.047 0.000 0.929 1412 K CB -0.516 31.946 32.500 -0.064 0.000 0.713 1412 K HN 0.093 nan 8.250 nan 0.000 0.439 1413 A N 1.919 124.706 122.820 -0.055 0.000 1.940 1413 A HA -0.205 4.113 4.320 -0.003 0.000 0.219 1413 A C 2.112 179.682 177.584 -0.024 0.000 1.176 1413 A CA 1.670 53.680 52.037 -0.045 0.000 0.631 1413 A CB -0.396 18.587 19.000 -0.027 0.000 0.814 1413 A HN 0.431 nan 8.150 nan 0.000 0.446 1414 E N -0.342 119.845 120.200 -0.023 0.000 2.072 1414 E HA -0.168 4.180 4.350 -0.003 0.000 0.190 1414 E C 1.998 178.588 176.600 -0.016 0.000 0.982 1414 E CA 1.179 57.568 56.400 -0.018 0.000 0.803 1414 E CB -0.199 29.489 29.700 -0.019 0.000 0.755 1414 E HN 0.731 nan 8.360 nan 0.000 0.453 1415 E N 1.065 121.253 120.200 -0.019 0.000 2.118 1415 E HA -0.182 4.166 4.350 -0.003 0.000 0.195 1415 E C 2.250 178.844 176.600 -0.010 0.000 0.992 1415 E CA 0.587 56.978 56.400 -0.015 0.000 0.804 1415 E CB -0.097 29.591 29.700 -0.019 0.000 0.741 1415 E HN 0.225 nan 8.360 nan 0.000 0.458 1416 L N 0.679 121.892 121.223 -0.016 0.000 1.989 1416 L HA -0.234 4.104 4.340 -0.003 0.000 0.211 1416 L C 2.393 179.264 176.870 0.002 0.000 1.071 1416 L CA 1.365 56.200 54.840 -0.009 0.000 0.749 1416 L CB -0.287 41.753 42.059 -0.031 0.000 0.890 1416 L HN 0.343 nan 8.230 nan 0.000 0.431 1417 C N -1.107 118.189 119.300 -0.006 0.000 2.413 1417 C HA -0.178 4.280 4.460 -0.003 0.000 0.276 1417 C C 3.283 178.278 174.990 0.007 0.000 1.248 1417 C CA 1.333 60.350 59.018 -0.001 0.000 1.742 1417 C CB -0.796 26.937 27.740 -0.011 0.000 2.017 1417 C HN 0.653 nan 8.230 nan 0.000 0.481 1418 S N -0.138 115.563 115.700 0.002 0.000 2.368 1418 S HA -0.211 4.257 4.470 -0.003 0.000 0.225 1418 S C 1.913 176.520 174.600 0.012 0.000 1.030 1418 S CA 1.577 59.779 58.200 0.003 0.000 0.999 1418 S CB -0.274 62.925 63.200 -0.002 0.000 0.844 1418 S HN 0.729 nan 8.310 nan 0.000 0.459 1419 Q N -0.039 119.771 119.800 0.016 0.000 2.167 1419 Q HA -0.035 4.303 4.340 -0.003 0.000 0.202 1419 Q C 2.244 178.268 176.000 0.040 0.000 0.970 1419 Q CA 1.511 57.330 55.803 0.026 0.000 0.855 1419 Q CB -0.179 28.577 28.738 0.030 0.000 0.911 1419 Q HN 0.457 nan 8.270 nan 0.000 0.438 1420 V N 1.422 121.366 119.914 0.050 0.000 2.453 1420 V HA -0.240 3.878 4.120 -0.003 0.000 0.247 1420 V C 2.021 178.144 176.094 0.049 0.000 1.048 1420 V CA 1.653 63.996 62.300 0.072 0.000 1.049 1420 V CB -0.703 31.178 31.823 0.098 0.000 0.672 1420 V HN 0.477 nan 8.190 nan 0.000 0.457 1421 N N 0.014 118.732 118.700 0.031 0.000 2.084 1421 N HA -0.203 4.535 4.740 -0.003 0.000 0.190 1421 N C 1.838 177.356 175.510 0.013 0.000 1.030 1421 N CA 1.333 54.394 53.050 0.018 0.000 0.849 1421 N CB 0.110 38.602 38.487 0.008 0.000 1.012 1421 N HN 0.400 nan 8.380 nan 0.000 0.423 1422 E N 0.263 120.471 120.200 0.014 0.000 2.106 1422 E HA -0.075 4.273 4.350 -0.003 0.000 0.192 1422 E C 1.916 178.524 176.600 0.014 0.000 0.984 1422 E CA 0.782 57.188 56.400 0.011 0.000 0.806 1422 E CB -0.753 28.953 29.700 0.011 0.000 0.750 1422 E HN 0.501 nan 8.360 nan 0.000 0.458 1423 G N 0.942 109.757 108.800 0.024 0.000 2.422 1423 G HA2 -0.213 3.746 3.960 -0.003 0.000 0.218 1423 G HA3 -0.213 3.746 3.960 -0.003 0.000 0.218 1423 G C 1.828 176.736 174.900 0.014 0.000 1.146 1423 G CA 0.906 46.022 45.100 0.026 0.000 0.769 1423 G HN 0.199 nan 8.290 nan 0.000 0.547 1424 V N 0.602 120.523 119.914 0.011 0.000 2.307 1424 V HA -0.139 3.980 4.120 -0.003 0.000 0.245 1424 V C 2.766 178.851 176.094 -0.015 0.000 1.045 1424 V CA 2.111 64.408 62.300 -0.005 0.000 1.024 1424 V CB -0.453 31.368 31.823 -0.004 0.000 0.651 1424 V HN 0.443 nan 8.190 nan 0.000 0.449 1425 R N 0.375 120.869 120.500 -0.010 0.000 2.083 1425 R HA -0.219 4.119 4.340 -0.003 0.000 0.237 1425 R C 2.246 178.542 176.300 -0.007 0.000 1.137 1425 R CA 2.201 58.294 56.100 -0.013 0.000 0.951 1425 R CB -0.279 30.016 30.300 -0.008 0.000 0.851 1425 R HN 0.621 nan 8.270 nan 0.000 0.434 1426 E N -0.001 120.201 120.200 0.003 0.000 2.153 1426 E HA -0.223 4.125 4.350 -0.003 0.000 0.194 1426 E C 1.917 178.521 176.600 0.007 0.000 0.988 1426 E CA 1.247 57.653 56.400 0.011 0.000 0.811 1426 E CB 0.021 29.730 29.700 0.016 0.000 0.746 1426 E HN 0.145 nan 8.360 nan 0.000 0.466 1427 K N 1.421 121.819 120.400 -0.003 0.000 2.103 1427 K HA -0.110 4.208 4.320 -0.003 0.000 0.204 1427 K C 1.669 178.252 176.600 -0.028 0.000 1.052 1427 K CA 1.174 57.455 56.287 -0.011 0.000 0.945 1427 K CB 0.131 32.620 32.500 -0.018 0.000 0.722 1427 K HN 0.073 nan 8.250 nan 0.000 0.443 1428 E N 0.260 120.433 120.200 -0.044 0.000 2.051 1428 E HA -0.215 4.133 4.350 -0.003 0.000 0.192 1428 E C 1.842 178.392 176.600 -0.083 0.000 0.991 1428 E CA 1.186 57.536 56.400 -0.084 0.000 0.799 1428 E CB -0.307 29.337 29.700 -0.093 0.000 0.748 1428 E HN 0.405 nan 8.360 nan 0.000 0.449 1429 N N 0.713 119.397 118.700 -0.028 0.000 2.104 1429 N HA -0.184 4.555 4.740 -0.003 0.000 0.190 1429 N C 1.947 177.478 175.510 0.034 0.000 1.024 1429 N CA 1.417 54.482 53.050 0.025 0.000 0.853 1429 N CB -0.044 38.482 38.487 0.065 0.000 1.008 1429 N HN -0.008 nan 8.380 nan 0.000 0.424 1430 S N 0.432 116.147 115.700 0.025 0.000 2.382 1430 S HA -0.106 4.362 4.470 -0.003 0.000 0.228 1430 S C 1.196 175.815 174.600 0.032 0.000 1.027 1430 S CA 1.290 59.513 58.200 0.038 0.000 0.991 1430 S CB -0.248 62.969 63.200 0.028 0.000 0.823 1430 S HN 0.340 nan 8.310 nan 0.000 0.469 1431 D N 0.843 121.242 120.400 -0.002 0.000 2.149 1431 D HA 0.015 4.654 4.640 -0.003 0.000 0.201 1431 D C 2.286 178.595 176.300 0.014 0.000 0.972 1431 D CA 0.764 54.767 54.000 0.005 0.000 0.835 1431 D CB -0.262 40.517 40.800 -0.035 0.000 0.966 1431 D HN 0.401 nan 8.370 nan 0.000 0.476 1432 R N -0.088 120.348 120.500 -0.107 0.000 2.081 1432 R HA -0.066 4.272 4.340 -0.003 0.000 0.235 1432 R C 2.005 178.364 176.300 0.099 0.000 1.131 1432 R CA 0.548 56.529 56.100 -0.197 0.000 0.960 1432 R CB -0.264 29.694 30.300 -0.570 0.000 0.856 1432 R HN 0.124 nan 8.270 nan 0.000 0.436 1433 L N 1.278 122.559 121.223 0.096 0.000 2.083 1433 L HA -0.142 4.197 4.340 -0.003 0.000 0.209 1433 L C 2.224 179.158 176.870 0.107 0.000 1.083 1433 L CA 1.685 56.611 54.840 0.143 0.000 0.752 1433 L CB -0.607 41.552 42.059 0.167 0.000 0.899 1433 L HN 0.106 nan 8.230 nan 0.000 0.433 1434 E N -1.942 118.328 120.200 0.117 0.000 2.106 1434 E HA -0.252 4.096 4.350 -0.003 0.000 0.192 1434 E C 1.970 178.636 176.600 0.111 0.000 0.984 1434 E CA 0.880 57.336 56.400 0.093 0.000 0.806 1434 E CB -0.330 29.421 29.700 0.084 0.000 0.750 1434 E HN 0.571 nan 8.360 nan 0.000 0.458 1435 W N 1.719 123.039 121.300 0.033 0.000 2.352 1435 W HA -0.161 4.497 4.660 -0.005 0.000 0.322 1435 W C 2.145 178.709 176.519 0.076 0.000 1.208 1435 W CA 1.716 59.141 57.345 0.133 0.000 1.286 1435 W CB -0.543 29.059 29.460 0.237 0.000 1.167 1435 W HN -0.083 nan 8.180 nan 0.000 0.469 1436 I N 0.550 121.283 120.570 0.273 0.000 2.185 1436 I HA -0.395 3.774 4.170 -0.003 0.000 0.246 1436 I C 2.400 178.195 176.117 -0.537 0.000 1.088 1436 I CA 1.991 63.162 61.300 -0.215 0.000 1.347 1436 I CB -0.948 36.783 38.000 -0.448 0.000 1.041 1436 I HN 0.142 nan 8.210 nan 0.000 0.415 1437 Q N 1.307 120.868 119.800 -0.398 0.000 2.368 1437 Q HA -0.133 4.205 4.340 -0.003 0.000 0.210 1437 Q C 1.552 177.431 176.000 -0.200 0.000 0.982 1437 Q CA 1.823 57.507 55.803 -0.199 0.000 0.884 1437 Q CB -0.088 28.673 28.738 0.038 0.000 0.933 1437 Q HN 0.543 nan 8.270 nan 0.000 0.460 1438 A N -1.647 120.950 122.820 -0.373 0.000 2.503 1438 A HA 0.182 4.500 4.320 -0.003 0.000 0.263 1438 A C 0.361 177.407 177.584 -0.896 0.000 1.258 1438 A CA -0.225 51.481 52.037 -0.552 0.000 0.936 1438 A CB 0.090 18.729 19.000 -0.603 0.000 1.070 1438 A HN 0.442 nan 8.150 nan 0.000 0.522 1439 H N -1.539 117.249 119.070 -0.469 0.000 3.398 1439 H HA 0.266 4.818 4.556 -0.006 0.000 0.260 1439 H C -0.747 174.425 175.328 -0.260 0.000 1.189 1439 H CA 0.216 55.976 56.048 -0.481 0.000 1.145 1439 H CB 1.015 30.203 29.762 -0.957 0.000 1.599 1439 H HN 0.157 nan 8.280 nan 0.000 0.615 1440 V N 2.151 121.985 119.914 -0.133 0.000 2.448 1440 V HA 0.162 4.280 4.120 -0.003 0.000 0.295 1440 V C 0.266 176.417 176.094 0.096 0.000 1.025 1440 V CA -0.667 61.630 62.300 -0.004 0.000 0.859 1440 V CB 2.648 34.422 31.823 -0.081 0.000 0.988 1440 V HN 0.188 nan 8.190 nan 0.000 0.431 1441 Q N 3.207 123.115 119.800 0.179 0.000 2.344 1441 Q HA 0.209 4.547 4.340 -0.003 0.000 0.253 1441 Q C -0.590 175.565 176.000 0.259 0.000 1.050 1441 Q CA -0.321 55.630 55.803 0.247 0.000 0.912 1441 Q CB 0.542 29.515 28.738 0.391 0.000 1.258 1441 Q HN 0.886 nan 8.270 nan 0.000 0.443 1442 C N 5.391 124.811 119.300 0.201 0.000 2.541 1442 C HA 0.244 4.702 4.460 -0.003 0.000 0.405 1442 C C -0.080 174.989 174.990 0.132 0.000 1.345 1442 C CA -0.854 58.254 59.018 0.149 0.000 1.677 1442 C CB -1.097 26.727 27.740 0.139 0.000 2.361 1442 C HN 0.683 nan 8.230 nan 0.000 0.583 1443 E N 1.213 121.538 120.200 0.210 0.000 2.529 1443 E HA 0.153 4.501 4.350 -0.003 0.000 0.259 1443 E C 0.993 177.664 176.600 0.119 0.000 0.966 1443 E CA 0.738 57.254 56.400 0.192 0.000 0.937 1443 E CB 0.445 30.339 29.700 0.324 0.000 0.923 1443 E HN 0.830 nan 8.360 nan 0.000 0.468 1444 G N 3.553 112.402 108.800 0.081 0.000 2.528 1444 G HA2 -0.224 3.734 3.960 -0.003 0.000 0.231 1444 G HA3 -0.224 3.734 3.960 -0.003 0.000 0.231 1444 G C 0.408 175.330 174.900 0.037 0.000 0.143 1444 G CA 0.280 45.412 45.100 0.052 0.000 1.122 1444 G HN 0.555 nan 8.290 nan 0.000 0.525 1445 L N 1.894 123.127 121.223 0.017 0.000 3.086 1445 L HA 0.177 4.515 4.340 -0.003 0.000 0.274 1445 L C 1.875 178.741 176.870 -0.006 0.000 1.184 1445 L CA 0.619 55.458 54.840 -0.002 0.000 1.002 1445 L CB 0.224 42.268 42.059 -0.025 0.000 1.383 1445 L HN 1.431 nan 8.230 nan 0.000 0.582 1446 S N -0.717 114.982 115.700 -0.000 0.000 3.382 1446 S HA -0.281 4.188 4.470 -0.003 0.000 0.293 1446 S C 0.489 175.083 174.600 -0.010 0.000 1.262 1446 S CA 1.790 59.988 58.200 -0.003 0.000 0.969 1446 S CB -1.661 61.537 63.200 -0.004 0.000 1.136 1446 S HN 0.714 nan 8.310 nan 0.000 0.635 1447 E N -0.152 120.039 120.200 -0.014 0.000 2.641 1447 E HA 0.210 4.558 4.350 -0.003 0.000 0.201 1447 E C -0.462 176.124 176.600 -0.024 0.000 0.921 1447 E CA -0.037 56.351 56.400 -0.020 0.000 1.551 1447 E CB 0.298 29.982 29.700 -0.027 0.000 1.640 1447 E HN 0.645 nan 8.360 nan 0.000 0.906 1448 Q N 1.264 121.049 119.800 -0.025 0.000 2.389 1448 Q HA -0.123 4.215 4.340 -0.003 0.000 0.320 1448 Q C -0.928 175.038 176.000 -0.057 0.000 1.284 1448 Q CA 0.112 55.901 55.803 -0.024 0.000 0.829 1448 Q CB -0.620 28.113 28.738 -0.009 0.000 0.948 1448 Q HN 0.331 nan 8.270 nan 0.000 0.310 1449 L N 3.216 124.379 121.223 -0.100 0.000 2.500 1449 L HA 0.153 4.491 4.340 -0.003 0.000 0.272 1449 L C 0.054 176.798 176.870 -0.211 0.000 1.149 1449 L CA -0.064 54.634 54.840 -0.237 0.000 0.897 1449 L CB 0.697 42.499 42.059 -0.429 0.000 1.178 1449 L HN 0.357 nan 8.230 nan 0.000 0.473 1450 V N 6.187 125.991 119.914 -0.184 0.000 2.257 1450 V HA 0.067 4.185 4.120 -0.003 0.000 0.269 1450 V C 0.661 176.701 176.094 -0.090 0.000 1.040 1450 V CA -0.336 61.931 62.300 -0.056 0.000 0.813 1450 V CB 0.672 32.485 31.823 -0.016 0.000 1.065 1450 V HN 0.638 nan 8.190 nan 0.000 0.457 1451 F N 1.475 121.396 119.950 -0.048 0.000 2.091 1451 F HA -0.166 4.360 4.527 -0.002 0.000 0.299 1451 F C 1.777 177.522 175.800 -0.091 0.000 1.103 1451 F CA 1.631 59.556 58.000 -0.125 0.000 1.228 1451 F CB -0.144 38.769 39.000 -0.145 0.000 0.984 1451 F HN 0.453 nan 8.300 nan 0.000 0.477 1452 N N 0.674 119.469 118.700 0.158 0.000 3.245 1452 N HA 0.117 4.855 4.740 -0.003 0.000 0.296 1452 N C -0.748 174.793 175.510 0.052 0.000 1.254 1452 N CA -0.117 52.990 53.050 0.094 0.000 1.190 1452 N CB -0.128 38.414 38.487 0.092 0.000 1.460 1452 N HN 0.236 nan 8.380 nan 0.000 0.538 1453 S N -1.100 114.617 115.700 0.029 0.000 2.776 1453 S HA 0.410 4.878 4.470 -0.003 0.000 0.292 1453 S C -0.425 174.182 174.600 0.012 0.000 1.187 1453 S CA -0.822 57.388 58.200 0.017 0.000 0.834 1453 S CB 1.253 64.458 63.200 0.008 0.000 1.199 1453 S HN -0.107 nan 8.310 nan 0.000 0.514 1454 V N 2.376 122.298 119.914 0.012 0.000 2.732 1454 V HA 0.496 4.614 4.120 -0.003 0.000 0.297 1454 V C 1.187 177.290 176.094 0.016 0.000 1.060 1454 V CA 0.022 62.328 62.300 0.011 0.000 1.038 1454 V CB 1.073 32.903 31.823 0.011 0.000 1.003 1454 V HN 1.141 nan 8.190 nan 0.000 0.481 1455 T N 0.062 114.623 114.554 0.012 0.000 2.824 1455 T HA 0.127 4.475 4.350 -0.003 0.000 0.277 1455 T C 1.203 175.921 174.700 0.030 0.000 0.975 1455 T CA -0.193 61.927 62.100 0.033 0.000 0.966 1455 T CB 0.582 69.447 68.868 -0.004 0.000 1.054 1455 T HN 0.618 nan 8.240 nan 0.000 0.533 1456 N N -0.193 118.544 118.700 0.060 0.000 2.094 1456 N HA -0.150 4.588 4.740 -0.003 0.000 0.191 1456 N C 1.200 176.725 175.510 0.026 0.000 1.023 1456 N CA 1.964 55.045 53.050 0.052 0.000 0.857 1456 N CB -0.388 38.152 38.487 0.089 0.000 1.013 1456 N HN 0.878 nan 8.380 nan 0.000 0.426 1457 C N -2.060 117.233 119.300 -0.012 0.000 3.823 1457 C HA 0.464 4.922 4.460 -0.003 0.000 0.312 1457 C C 1.041 175.995 174.990 -0.059 0.000 2.628 1457 C CA -0.752 58.259 59.018 -0.012 0.000 1.581 1457 C CB -1.025 26.741 27.740 0.043 0.000 3.295 1457 C HN 0.199 nan 8.230 nan 0.000 0.382 1458 L N 1.521 122.681 121.223 -0.104 0.000 2.858 1458 L HA 0.585 4.923 4.340 -0.003 0.000 0.251 1458 L C 1.431 178.270 176.870 -0.051 0.000 1.149 1458 L CA 0.802 55.577 54.840 -0.109 0.000 0.955 1458 L CB 0.284 42.218 42.059 -0.209 0.000 1.289 1458 L HN 0.775 nan 8.230 nan 0.000 0.542 1459 G N 0.578 109.359 108.800 -0.031 0.000 2.500 1459 G HA2 -0.156 3.802 3.960 -0.003 0.000 0.209 1459 G HA3 -0.156 3.802 3.960 -0.003 0.000 0.209 1459 G C -2.910 171.987 174.900 -0.005 0.000 1.283 1459 G CA -1.117 43.977 45.100 -0.011 0.000 0.960 1459 G HN -0.082 nan 8.290 nan 0.000 0.528 1460 P HA 0.313 nan 4.420 nan 0.000 0.269 1460 P C 0.224 177.534 177.300 0.017 0.000 1.209 1460 P CA -0.114 62.995 63.100 0.015 0.000 0.776 1460 P CB 0.450 32.164 31.700 0.023 0.000 0.876 1461 R N 2.686 123.196 120.500 0.017 0.000 2.590 1461 R HA 0.152 4.490 4.340 -0.003 0.000 0.274 1461 R C -0.231 176.121 176.300 0.087 0.000 1.061 1461 R CA 0.341 56.453 56.100 0.019 0.000 1.081 1461 R CB 0.211 30.483 30.300 -0.047 0.000 0.984 1461 R HN 0.389 nan 8.270 nan 0.000 0.448 1462 K N 3.315 123.793 120.400 0.129 0.000 2.324 1462 K HA 0.212 4.530 4.320 -0.003 0.000 0.253 1462 K C -1.243 175.549 176.600 0.320 0.000 0.932 1462 K CA -0.700 55.693 56.287 0.176 0.000 0.799 1462 K CB 1.314 33.864 32.500 0.083 0.000 1.154 1462 K HN 0.345 nan 8.250 nan 0.000 0.425 1463 F N 4.332 124.404 119.950 0.204 0.000 2.412 1463 F HA 0.217 4.743 4.527 -0.002 0.000 0.348 1463 F C 0.064 175.865 175.800 0.003 0.000 1.102 1463 F CA -0.128 57.976 58.000 0.172 0.000 1.196 1463 F CB 0.445 39.548 39.000 0.172 0.000 1.144 1463 F HN 0.491 nan 8.300 nan 0.000 0.541 1464 L N 3.961 124.675 121.223 -0.849 0.000 2.547 1464 L HA 0.240 4.578 4.340 -0.003 0.000 0.218 1464 L C -0.154 176.151 176.870 -0.942 0.000 1.048 1464 L CA -0.046 54.371 54.840 -0.704 0.000 0.859 1464 L CB 0.106 41.939 42.059 -0.376 0.000 1.128 1464 L HN 0.631 nan 8.230 nan 0.000 0.483 1465 H N -0.137 118.090 119.070 -1.404 0.000 2.969 1465 H HA 0.372 4.926 4.556 -0.003 0.000 0.304 1465 H C -1.817 173.056 175.328 -0.758 0.000 1.400 1465 H CA -0.154 55.251 56.048 -1.072 0.000 1.182 1465 H CB 1.953 31.092 29.762 -1.038 0.000 1.865 1465 H HN 0.002 nan 8.280 nan 0.000 0.512 1466 S N 0.680 116.046 115.700 -0.557 0.000 2.558 1466 S HA 0.560 5.028 4.470 -0.003 0.000 0.277 1466 S C -0.286 174.152 174.600 -0.270 0.000 1.143 1466 S CA -0.067 57.967 58.200 -0.278 0.000 0.865 1466 S CB 1.408 64.440 63.200 -0.280 0.000 1.102 1466 S HN 1.220 nan 8.310 nan 0.000 0.454 1467 G N 1.319 109.995 108.800 -0.206 0.000 5.005 1467 G HA2 0.382 4.340 3.960 -0.003 0.000 0.222 1467 G HA3 0.382 4.340 3.960 -0.003 0.000 0.222 1467 G C 0.090 174.981 174.900 -0.016 0.000 1.437 1467 G CA 0.118 45.237 45.100 0.033 0.000 0.894 1467 G HN 0.799 nan 8.290 nan 0.000 0.394 1468 K N -1.629 118.516 120.400 -0.425 0.000 3.589 1468 K HA -0.229 4.090 4.320 -0.003 0.000 0.169 1468 K C 0.329 176.663 176.600 -0.445 0.000 1.280 1468 K CA 0.851 57.023 56.287 -0.191 0.000 0.471 1468 K CB -1.336 31.146 32.500 -0.030 0.000 0.686 1468 K HN 1.604 nan 8.250 nan 0.000 0.691 1469 L N 0.471 121.299 121.223 -0.658 0.000 1.765 1469 L HA -0.117 4.221 4.340 -0.003 0.000 0.613 1469 L C -0.933 175.651 176.870 -0.478 0.000 1.001 1469 L CA 0.595 55.064 54.840 -0.617 0.000 1.298 1469 L CB -0.973 40.710 42.059 -0.627 0.000 2.104 1469 L HN 0.457 nan 8.230 nan 0.000 1.040 1470 Y N 2.967 123.236 120.300 -0.052 0.000 2.496 1470 Y HA 0.749 5.295 4.550 -0.005 0.000 0.331 1470 Y C 0.658 176.560 175.900 0.003 0.000 1.140 1470 Y CA -1.421 56.669 58.100 -0.016 0.000 1.166 1470 Y CB 0.811 39.269 38.460 -0.002 0.000 1.249 1470 Y HN 0.384 nan 8.280 nan 0.000 0.479 1471 K N 0.658 121.184 120.400 0.211 0.000 2.322 1471 K HA 0.441 4.759 4.320 -0.003 0.000 0.283 1471 K C 0.705 177.379 176.600 0.124 0.000 1.042 1471 K CA 0.109 56.489 56.287 0.155 0.000 0.958 1471 K CB 1.201 33.799 32.500 0.164 0.000 0.984 1471 K HN 0.921 nan 8.250 nan 0.000 0.473 1472 A N 3.797 126.677 122.820 0.100 0.000 2.019 1472 A HA -0.139 4.179 4.320 -0.003 0.000 0.219 1472 A C 0.961 178.578 177.584 0.055 0.000 1.164 1472 A CA 1.289 53.366 52.037 0.066 0.000 0.644 1472 A CB -0.057 18.981 19.000 0.064 0.000 0.805 1472 A HN 0.687 nan 8.150 nan 0.000 0.449 1473 K N -1.260 119.182 120.400 0.070 0.000 2.139 1473 K HA 0.300 4.618 4.320 -0.003 0.000 0.243 1473 K C 0.806 177.446 176.600 0.066 0.000 0.983 1473 K CA -0.241 56.080 56.287 0.057 0.000 0.890 1473 K CB 0.514 33.045 32.500 0.053 0.000 1.090 1473 K HN 0.307 nan 8.250 nan 0.000 0.445 1474 N N 0.456 119.188 118.700 0.054 0.000 1.347 1474 N HA -0.298 4.440 4.740 -0.003 0.000 0.148 1474 N C -0.781 174.760 175.510 0.052 0.000 0.780 1474 N CA 1.795 54.881 53.050 0.061 0.000 1.015 1474 N CB -1.176 37.369 38.487 0.097 0.000 1.262 1474 N HN 0.891 nan 8.380 nan 0.000 0.496 1475 N N 0.212 118.951 118.700 0.064 0.000 3.100 1475 N HA 0.439 5.177 4.740 -0.003 0.000 0.344 1475 N C -0.627 174.926 175.510 0.071 0.000 1.413 1475 N CA -0.457 52.620 53.050 0.046 0.000 0.752 1475 N CB 1.119 39.627 38.487 0.035 0.000 1.519 1475 N HN 0.418 nan 8.380 nan 0.000 0.620 1476 K N 0.211 120.654 120.400 0.071 0.000 2.092 1476 K HA 0.365 4.683 4.320 -0.003 0.000 0.256 1476 K C -1.067 175.652 176.600 0.198 0.000 1.041 1476 K CA -0.426 55.971 56.287 0.184 0.000 1.070 1476 K CB 0.208 32.729 32.500 0.034 0.000 1.707 1476 K HN 0.595 nan 8.250 nan 0.000 0.750 1477 E N 0.522 120.932 120.200 0.351 0.000 2.313 1477 E HA -0.191 4.158 4.350 -0.003 0.000 0.190 1477 E C -1.384 175.257 176.600 0.068 0.000 1.406 1477 E CA 0.172 56.682 56.400 0.184 0.000 0.668 1477 E CB -1.389 28.372 29.700 0.102 0.000 1.135 1477 E HN 0.215 nan 8.360 nan 0.000 0.375 1478 L N 1.955 123.190 121.223 0.020 0.000 2.476 1478 L HA 0.464 4.803 4.340 -0.003 0.000 0.269 1478 L C -0.911 175.939 176.870 -0.034 0.000 0.965 1478 L CA -0.987 53.840 54.840 -0.021 0.000 0.845 1478 L CB 1.343 43.374 42.059 -0.045 0.000 1.259 1478 L HN 0.212 nan 8.230 nan 0.000 0.403 1479 Y N 1.973 122.214 120.300 -0.098 0.000 2.331 1479 Y HA 0.722 5.273 4.550 0.002 0.000 0.338 1479 Y C 0.315 176.116 175.900 -0.165 0.000 0.992 1479 Y CA -0.521 57.478 58.100 -0.168 0.000 1.121 1479 Y CB 2.039 40.412 38.460 -0.146 0.000 1.184 1479 Y HN 0.508 nan 8.280 nan 0.000 0.469 1480 G N 4.526 112.936 108.800 -0.649 0.000 2.453 1480 G HA2 0.592 4.550 3.960 -0.003 0.000 0.323 1480 G HA3 0.592 4.550 3.960 -0.003 0.000 0.323 1480 G C -2.073 172.574 174.900 -0.421 0.000 1.198 1480 G CA -0.614 44.292 45.100 -0.324 0.000 0.959 1480 G HN 0.429 nan 8.290 nan 0.000 0.482 1481 F N 0.401 120.426 119.950 0.126 0.000 2.507 1481 F HA 0.507 5.031 4.527 -0.006 0.000 0.325 1481 F C -0.182 175.500 175.800 -0.197 0.000 1.116 1481 F CA -0.980 57.031 58.000 0.018 0.000 0.930 1481 F CB 2.356 41.372 39.000 0.027 0.000 1.146 1481 F HN 0.333 nan 8.300 nan 0.000 0.447 1482 L N 4.272 125.370 121.223 -0.209 0.000 2.295 1482 L HA 0.699 5.037 4.340 -0.003 0.000 0.285 1482 L C -1.452 175.044 176.870 -0.624 0.000 1.035 1482 L CA -0.347 54.327 54.840 -0.276 0.000 0.806 1482 L CB 0.438 42.392 42.059 -0.175 0.000 1.214 1482 L HN 0.478 nan 8.230 nan 0.000 0.426 1483 F N 2.165 122.048 119.950 -0.112 0.000 2.661 1483 F HA 0.425 4.949 4.527 -0.004 0.000 0.347 1483 F C 1.366 177.078 175.800 -0.147 0.000 1.086 1483 F CA -0.715 57.175 58.000 -0.184 0.000 1.016 1483 F CB 0.804 39.534 39.000 -0.449 0.000 1.368 1483 F HN 0.608 nan 8.300 nan 0.000 0.505 1484 N N 0.259 119.017 118.700 0.096 0.000 2.459 1484 N HA -0.141 4.598 4.740 -0.003 0.000 0.181 1484 N C 0.408 175.946 175.510 0.046 0.000 1.046 1484 N CA 1.474 54.548 53.050 0.040 0.000 0.904 1484 N CB -0.526 37.967 38.487 0.009 0.000 0.964 1484 N HN 0.756 nan 8.380 nan 0.000 0.444 1485 D N -1.169 119.260 120.400 0.049 0.000 2.479 1485 D HA 0.052 4.691 4.640 -0.003 0.000 0.221 1485 D C 0.156 176.675 176.300 0.364 0.000 1.104 1485 D CA -0.253 53.852 54.000 0.176 0.000 0.849 1485 D CB -0.103 40.781 40.800 0.140 0.000 1.072 1485 D HN 0.306 nan 8.370 nan 0.000 0.502 1486 F N -0.576 119.443 119.950 0.115 0.000 2.703 1486 F HA 0.561 5.085 4.527 -0.004 0.000 0.308 1486 F C -2.202 173.687 175.800 0.149 0.000 1.126 1486 F CA -1.755 56.214 58.000 -0.053 0.000 0.959 1486 F CB 0.932 39.502 39.000 -0.718 0.000 1.297 1486 F HN -0.195 nan 8.300 nan 0.000 0.441 1487 L N 3.717 125.175 121.223 0.393 0.000 2.282 1487 L HA 0.732 5.070 4.340 -0.003 0.000 0.288 1487 L C -1.434 175.689 176.870 0.420 0.000 1.033 1487 L CA -0.710 54.326 54.840 0.326 0.000 0.807 1487 L CB 1.203 43.380 42.059 0.198 0.000 1.209 1487 L HN 0.827 nan 8.230 nan 0.000 0.423 1488 L N 6.033 127.565 121.223 0.515 0.000 2.296 1488 L HA 0.585 4.923 4.340 -0.003 0.000 0.286 1488 L C -1.281 175.812 176.870 0.372 0.000 1.023 1488 L CA -0.111 55.048 54.840 0.532 0.000 0.812 1488 L CB 1.266 43.843 42.059 0.864 0.000 1.223 1488 L HN 0.606 nan 8.230 nan 0.000 0.421 1489 L N 5.066 126.434 121.223 0.241 0.000 2.307 1489 L HA 0.749 5.087 4.340 -0.003 0.000 0.284 1489 L C 0.080 177.109 176.870 0.265 0.000 1.023 1489 L CA -0.366 54.594 54.840 0.200 0.000 0.810 1489 L CB 1.872 44.024 42.059 0.155 0.000 1.231 1489 L HN 0.810 nan 8.230 nan 0.000 0.423 1490 T N -0.452 114.251 114.554 0.249 0.000 2.696 1490 T HA 0.463 4.812 4.350 -0.003 0.000 0.291 1490 T C -1.013 173.777 174.700 0.150 0.000 1.095 1490 T CA -0.843 61.396 62.100 0.231 0.000 1.026 1490 T CB 2.187 71.292 68.868 0.395 0.000 1.390 1490 T HN 0.536 nan 8.240 nan 0.000 0.513 1491 Q N 0.363 120.255 119.800 0.153 0.000 2.304 1491 Q HA 0.519 4.857 4.340 -0.003 0.000 0.270 1491 Q C -1.116 174.970 176.000 0.143 0.000 1.035 1491 Q CA -0.873 54.999 55.803 0.114 0.000 0.781 1491 Q CB 1.537 30.319 28.738 0.073 0.000 1.261 1491 Q HN 0.727 nan 8.270 nan 0.000 0.444 1492 I N 3.909 124.541 120.570 0.103 0.000 2.577 1492 I HA 0.036 4.204 4.170 -0.003 0.000 0.299 1492 I C -0.048 176.103 176.117 0.056 0.000 1.157 1492 I CA 0.308 61.646 61.300 0.063 0.000 1.418 1492 I CB 0.040 38.046 38.000 0.009 0.000 1.467 1492 I HN 0.470 nan 8.210 nan 0.000 0.624 1493 T N 7.052 121.647 114.554 0.069 0.000 2.761 1493 T HA 0.207 4.555 4.350 -0.003 0.000 0.296 1493 T C 0.259 174.974 174.700 0.025 0.000 0.934 1493 T CA -0.597 61.533 62.100 0.049 0.000 1.091 1493 T CB 0.292 69.192 68.868 0.053 0.000 0.896 1493 T HN 0.541 nan 8.240 nan 0.000 0.515 1494 K N 2.942 123.352 120.400 0.016 0.000 2.156 1494 K HA 0.719 5.038 4.320 -0.003 0.000 0.250 1494 K C -2.250 174.352 176.600 0.003 0.000 0.955 1494 K CA -1.748 54.543 56.287 0.007 0.000 0.855 1494 K CB -0.077 32.426 32.500 0.006 0.000 1.101 1494 K HN 0.214 nan 8.250 nan 0.000 0.434 1504 V N 0.570 120.249 119.914 -0.392 0.000 0.981 1504 V HA -0.385 3.733 4.120 -0.003 0.000 0.109 1504 V C 0.506 175.718 176.094 -1.471 0.000 1.808 1504 V CA 2.291 64.205 62.300 -0.644 0.000 3.108 1504 V CB -0.936 30.721 31.823 -0.277 0.000 0.850 1504 V HN 0.321 nan 8.190 nan 0.000 0.689 1505 F N -1.056 118.425 119.950 -0.782 0.000 2.654 1505 F HA 0.689 5.216 4.527 -0.000 0.000 0.308 1505 F C -0.191 175.220 175.800 -0.648 0.000 1.108 1505 F CA 0.257 57.492 58.000 -1.273 0.000 0.957 1505 F CB 2.317 40.738 39.000 -0.966 0.000 1.309 1505 F HN 0.332 nan 8.300 nan 0.000 0.446 1506 S N 0.269 115.789 115.700 -0.301 0.000 2.816 1506 S HA 0.161 4.629 4.470 -0.003 0.000 0.282 1506 S C -2.855 171.901 174.600 0.259 0.000 0.867 1506 S CA -1.153 57.052 58.200 0.008 0.000 0.886 1506 S CB 0.844 64.035 63.200 -0.016 0.000 1.115 1506 S HN 0.375 nan 8.310 nan 0.000 0.485 1507 P HA -0.058 nan 4.420 nan 0.000 0.226 1507 P C -0.116 177.283 177.300 0.164 0.000 1.146 1507 P CA 0.784 64.004 63.100 0.200 0.000 0.773 1507 P CB -0.092 31.670 31.700 0.103 0.000 0.772 1508 K N 1.503 121.984 120.400 0.135 0.000 2.316 1508 K HA 0.189 4.507 4.320 -0.003 0.000 0.289 1508 K C 1.040 177.694 176.600 0.091 0.000 1.070 1508 K CA -0.217 56.123 56.287 0.088 0.000 0.928 1508 K CB 0.577 33.106 32.500 0.049 0.000 1.039 1508 K HN 0.121 nan 8.250 nan 0.000 0.480 1509 S N 3.183 118.930 115.700 0.077 0.000 2.548 1509 S HA -0.154 4.314 4.470 -0.003 0.000 0.266 1509 S C 0.094 174.699 174.600 0.009 0.000 1.374 1509 S CA -0.117 58.127 58.200 0.074 0.000 0.997 1509 S CB 0.278 63.513 63.200 0.057 0.000 0.855 1509 S HN 0.945 nan 8.310 nan 0.000 0.534 1510 N N -0.362 118.341 118.700 0.005 0.000 5.988 1510 N HA 0.185 4.923 4.740 -0.003 0.000 0.133 1510 N C -2.071 173.454 175.510 0.025 0.000 0.983 1510 N CA -0.560 52.479 53.050 -0.019 0.000 1.191 1510 N CB 0.244 38.702 38.487 -0.049 0.000 1.440 1510 N HN 0.700 nan 8.380 nan 0.000 1.002 1511 L N 2.159 123.401 121.223 0.032 0.000 2.362 1511 L HA 0.572 4.911 4.340 -0.003 0.000 0.271 1511 L C -0.693 176.223 176.870 0.077 0.000 1.002 1511 L CA -0.636 54.233 54.840 0.048 0.000 0.818 1511 L CB 2.154 44.231 42.059 0.030 0.000 1.298 1511 L HN 0.529 nan 8.230 nan 0.000 0.420 1512 Q N 1.520 121.391 119.800 0.119 0.000 2.305 1512 Q HA 0.382 4.720 4.340 -0.003 0.000 0.271 1512 Q C -1.730 174.422 176.000 0.253 0.000 1.046 1512 Q CA -0.747 55.171 55.803 0.193 0.000 0.798 1512 Q CB 3.245 32.143 28.738 0.267 0.000 1.286 1512 Q HN 0.407 nan 8.270 nan 0.000 0.435 1513 Y N 2.825 123.194 120.300 0.115 0.000 2.320 1513 Y HA 0.377 4.926 4.550 -0.001 0.000 0.334 1513 Y C -0.131 175.866 175.900 0.162 0.000 1.055 1513 Y CA -0.987 57.181 58.100 0.114 0.000 1.143 1513 Y CB 1.021 39.529 38.460 0.079 0.000 1.193 1513 Y HN 0.737 nan 8.280 nan 0.000 0.477 1514 M N 7.025 126.474 119.600 -0.252 0.000 2.252 1514 M HA 0.002 4.480 4.480 -0.003 0.000 0.329 1514 M C -0.298 175.776 176.300 -0.377 0.000 1.101 1514 M CA 0.738 55.911 55.300 -0.210 0.000 1.117 1514 M CB 0.531 33.055 32.600 -0.127 0.000 1.563 1514 M HN 0.991 nan 8.290 nan 0.000 0.445 1515 Y N 3.863 124.033 120.300 -0.215 0.000 3.255 1515 Y HA 0.173 4.723 4.550 -0.000 0.000 0.254 1515 Y C 0.798 176.617 175.900 -0.136 0.000 0.887 1515 Y CA -0.648 57.356 58.100 -0.159 0.000 1.161 1515 Y CB 0.349 38.776 38.460 -0.055 0.000 1.152 1515 Y HN 0.581 nan 8.280 nan 0.000 0.513 1516 K N 0.168 120.442 120.400 -0.210 0.000 2.916 1516 K HA 0.131 4.449 4.320 -0.003 0.000 0.320 1516 K C -0.297 176.220 176.600 -0.138 0.000 1.032 1516 K CA -0.059 56.075 56.287 -0.256 0.000 1.074 1516 K CB -0.314 31.940 32.500 -0.410 0.000 1.192 1516 K HN 0.304 nan 8.250 nan 0.000 0.468 1517 T N 3.158 117.633 114.554 -0.132 0.000 2.897 1517 T HA 0.160 4.508 4.350 -0.003 0.000 0.294 1517 T C -2.350 172.259 174.700 -0.151 0.000 1.004 1517 T CA -1.240 60.800 62.100 -0.100 0.000 1.106 1517 T CB 0.895 69.737 68.868 -0.043 0.000 0.949 1517 T HN 0.362 nan 8.240 nan 0.000 0.520 1518 P HA 0.070 nan 4.420 nan 0.000 0.261 1518 P C -0.414 176.732 177.300 -0.257 0.000 1.183 1518 P CA -0.072 62.830 63.100 -0.330 0.000 0.761 1518 P CB 0.343 31.483 31.700 -0.934 0.000 0.785 1519 I N 4.256 124.718 120.570 -0.179 0.000 2.308 1519 I HA 0.197 4.366 4.170 -0.003 0.000 0.293 1519 I C -0.467 175.741 176.117 0.153 0.000 1.078 1519 I CA -0.931 60.305 61.300 -0.106 0.000 1.292 1519 I CB -0.269 37.596 38.000 -0.224 0.000 1.423 1519 I HN 0.033 nan 8.210 nan 0.000 0.493 1520 F N 6.671 126.799 119.950 0.297 0.000 2.495 1520 F HA 0.106 4.631 4.527 -0.002 0.000 0.365 1520 F C 0.908 176.880 175.800 0.286 0.000 1.090 1520 F CA -0.495 57.721 58.000 0.360 0.000 1.235 1520 F CB 0.591 39.772 39.000 0.300 0.000 1.119 1520 F HN 0.462 nan 8.300 nan 0.000 0.562 1521 L N 2.903 124.390 121.223 0.440 0.000 2.450 1521 L HA -0.198 4.140 4.340 -0.003 0.000 0.224 1521 L C 2.128 179.012 176.870 0.023 0.000 1.149 1521 L CA 0.972 55.981 54.840 0.281 0.000 0.816 1521 L CB -1.158 41.123 42.059 0.370 0.000 0.932 1521 L HN 0.634 nan 8.230 nan 0.000 0.449 1522 N N 0.790 119.299 118.700 -0.317 0.000 2.515 1522 N HA -0.155 4.583 4.740 -0.003 0.000 0.185 1522 N C 0.397 175.772 175.510 -0.226 0.000 1.109 1522 N CA 0.622 53.307 53.050 -0.610 0.000 0.903 1522 N CB -0.152 37.625 38.487 -1.183 0.000 0.969 1522 N HN 0.669 nan 8.380 nan 0.000 0.450 1523 E N -0.473 119.681 120.200 -0.077 0.000 4.129 1523 E HA 0.383 4.731 4.350 -0.003 0.000 0.222 1523 E C -1.250 175.318 176.600 -0.054 0.000 1.179 1523 E CA -0.727 55.621 56.400 -0.087 0.000 1.334 1523 E CB 0.326 29.947 29.700 -0.132 0.000 1.202 1523 E HN -0.016 nan 8.360 nan 0.000 0.428 1524 V N 1.162 121.088 119.914 0.021 0.000 3.147 1524 V HA 0.628 4.747 4.120 -0.003 0.000 0.306 1524 V C -1.875 174.256 176.094 0.062 0.000 1.209 1524 V CA -0.761 61.591 62.300 0.086 0.000 1.023 1524 V CB 2.281 34.214 31.823 0.182 0.000 1.059 1524 V HN 0.514 nan 8.190 nan 0.000 0.435 1525 L N 4.353 125.618 121.223 0.069 0.000 2.409 1525 L HA 0.780 5.118 4.340 -0.003 0.000 0.262 1525 L C -1.362 175.550 176.870 0.071 0.000 0.992 1525 L CA -0.940 53.934 54.840 0.057 0.000 0.817 1525 L CB 2.368 44.445 42.059 0.031 0.000 1.350 1525 L HN 0.437 nan 8.230 nan 0.000 0.411 1526 V N 2.330 122.296 119.914 0.087 0.000 2.525 1526 V HA 0.502 4.620 4.120 -0.003 0.000 0.299 1526 V C -0.557 175.610 176.094 0.122 0.000 1.034 1526 V CA -0.693 61.678 62.300 0.118 0.000 0.863 1526 V CB 2.020 33.969 31.823 0.210 0.000 0.999 1526 V HN 0.676 nan 8.190 nan 0.000 0.423 1527 K N 4.327 124.798 120.400 0.119 0.000 2.477 1527 K HA 0.776 5.095 4.320 -0.003 0.000 0.255 1527 K C -1.664 175.033 176.600 0.162 0.000 0.952 1527 K CA -0.906 55.459 56.287 0.130 0.000 0.826 1527 K CB 2.689 35.254 32.500 0.109 0.000 1.331 1527 K HN 0.357 nan 8.250 nan 0.000 0.437 1528 L N 1.239 122.552 121.223 0.149 0.000 2.365 1528 L HA 0.560 4.899 4.340 -0.003 0.000 0.267 1528 L C -1.923 175.016 176.870 0.116 0.000 1.033 1528 L CA -1.578 53.334 54.840 0.120 0.000 0.802 1528 L CB 0.170 42.293 42.059 0.106 0.000 1.267 1528 L HN 0.532 nan 8.230 nan 0.000 0.457 1529 P HA 0.212 nan 4.420 nan 0.000 0.288 1529 P C 0.195 177.537 177.300 0.071 0.000 1.682 1529 P CA -0.151 63.019 63.100 0.116 0.000 1.270 1529 P CB 0.691 32.483 31.700 0.154 0.000 1.596 1530 T N -0.729 113.856 114.554 0.051 0.000 2.564 1530 T HA -0.090 4.258 4.350 -0.003 0.000 0.259 1530 T C 0.782 175.507 174.700 0.042 0.000 1.087 1530 T CA 1.085 63.209 62.100 0.039 0.000 1.184 1530 T CB -0.798 68.089 68.868 0.032 0.000 0.864 1530 T HN 0.206 nan 8.240 nan 0.000 0.403 1531 D N 3.353 123.778 120.400 0.041 0.000 2.450 1531 D HA 0.036 4.674 4.640 -0.003 0.000 0.247 1531 D C -2.287 174.039 176.300 0.044 0.000 1.162 1531 D CA -1.517 52.505 54.000 0.036 0.000 0.879 1531 D CB 0.657 41.476 40.800 0.033 0.000 1.163 1531 D HN 0.120 nan 8.370 nan 0.000 0.472 1532 P HA -0.078 nan 4.420 nan 0.000 0.255 1532 P C -0.055 177.268 177.300 0.038 0.000 1.161 1532 P CA 0.442 63.565 63.100 0.039 0.000 0.768 1532 P CB 0.715 32.431 31.700 0.027 0.000 0.746 1533 S N 1.219 116.949 115.700 0.050 0.000 3.446 1533 S HA 0.156 4.624 4.470 -0.003 0.000 0.129 1533 S C 0.367 174.995 174.600 0.046 0.000 0.819 1533 S CA 0.157 58.379 58.200 0.038 0.000 1.474 1533 S CB -0.859 62.366 63.200 0.041 0.000 1.037 1533 S HN 0.654 nan 8.310 nan 0.000 0.680 1534 G N 0.731 109.594 108.800 0.105 0.000 2.441 1534 G HA2 0.635 4.593 3.960 -0.003 0.000 0.334 1534 G HA3 0.635 4.593 3.960 -0.003 0.000 0.334 1534 G C -0.844 174.093 174.900 0.061 0.000 1.161 1534 G CA 0.373 45.588 45.100 0.190 0.000 0.935 1534 G HN 0.411 nan 8.290 nan 0.000 0.488 1540 H N 6.710 125.572 119.070 -0.346 0.000 2.492 1540 H HA 0.676 5.230 4.556 -0.003 0.000 0.345 1540 H C -0.716 174.328 175.328 -0.473 0.000 1.136 1540 H CA -0.784 55.038 56.048 -0.377 0.000 1.202 1540 H CB 2.937 32.616 29.762 -0.139 0.000 1.524 1540 H HN 0.787 nan 8.280 nan 0.000 0.506 1541 I N 1.654 122.087 120.570 -0.228 0.000 2.512 1541 I HA 0.183 4.351 4.170 -0.003 0.000 0.287 1541 I C -0.677 175.479 176.117 0.064 0.000 1.069 1541 I CA -0.376 60.850 61.300 -0.124 0.000 1.056 1541 I CB 1.347 39.221 38.000 -0.211 0.000 1.229 1541 I HN 0.410 nan 8.210 nan 0.000 0.429 1542 S N 5.846 121.587 115.700 0.068 0.000 2.480 1542 S HA 0.408 4.876 4.470 -0.003 0.000 0.286 1542 S C -0.966 173.720 174.600 0.144 0.000 1.180 1542 S CA -0.123 58.123 58.200 0.078 0.000 1.075 1542 S CB 0.343 63.553 63.200 0.016 0.000 0.996 1542 S HN 0.728 nan 8.310 nan 0.000 0.487 1543 H N 4.728 123.855 119.070 0.096 0.000 2.800 1543 H HA 0.420 4.975 4.556 -0.002 0.000 0.322 1543 H C -0.024 175.338 175.328 0.056 0.000 0.979 1543 H CA -0.798 55.320 56.048 0.117 0.000 1.277 1543 H CB 0.262 30.166 29.762 0.236 0.000 1.484 1543 H HN 0.744 nan 8.280 nan 0.000 0.512 1544 I N 4.843 125.199 120.570 -0.355 0.000 3.183 1544 I HA -0.333 3.835 4.170 -0.003 0.000 0.256 1544 I C -0.220 175.844 176.117 -0.087 0.000 1.021 1544 I CA 0.863 62.039 61.300 -0.206 0.000 2.322 1544 I CB -0.241 37.611 38.000 -0.246 0.000 0.945 1544 I HN 0.872 nan 8.210 nan 0.000 0.381 1545 D N 3.340 123.707 120.400 -0.055 0.000 3.017 1545 D HA -0.172 4.467 4.640 -0.003 0.000 0.220 1545 D C 0.082 176.359 176.300 -0.039 0.000 1.141 1545 D CA 0.884 54.861 54.000 -0.039 0.000 0.848 1545 D CB -0.760 40.022 40.800 -0.031 0.000 1.102 1545 D HN 0.741 nan 8.370 nan 0.000 0.427 1546 R N -1.481 118.992 120.500 -0.045 0.000 2.752 1546 R HA 0.776 5.115 4.340 -0.003 0.000 0.271 1546 R C -1.230 174.974 176.300 -0.160 0.000 1.026 1546 R CA -0.935 55.087 56.100 -0.131 0.000 0.901 1546 R CB 2.250 32.467 30.300 -0.138 0.000 1.243 1546 R HN -0.090 nan 8.270 nan 0.000 0.463 1547 V N 1.690 121.411 119.914 -0.321 0.000 2.711 1547 V HA 0.378 4.496 4.120 -0.003 0.000 0.304 1547 V C -1.721 174.148 176.094 -0.374 0.000 1.097 1547 V CA -0.856 61.304 62.300 -0.233 0.000 0.906 1547 V CB 1.877 33.607 31.823 -0.155 0.000 1.015 1547 V HN 0.595 nan 8.190 nan 0.000 0.427 1548 Y N 1.649 121.925 120.300 -0.039 0.000 2.328 1548 Y HA 0.552 5.101 4.550 -0.003 0.000 0.337 1548 Y C 0.865 176.738 175.900 -0.044 0.000 0.966 1548 Y CA -0.515 57.560 58.100 -0.042 0.000 1.136 1548 Y CB 1.967 40.388 38.460 -0.066 0.000 1.170 1548 Y HN 0.534 nan 8.280 nan 0.000 0.470 1549 T N 5.608 120.244 114.554 0.137 0.000 2.856 1549 T HA 0.631 4.979 4.350 -0.003 0.000 0.292 1549 T C -0.464 174.285 174.700 0.082 0.000 0.980 1549 T CA -0.368 61.820 62.100 0.148 0.000 1.091 1549 T CB 0.196 69.158 68.868 0.157 0.000 0.936 1549 T HN 0.405 nan 8.240 nan 0.000 0.503 1550 L N 2.684 123.909 121.223 0.003 0.000 2.482 1550 L HA 0.586 4.924 4.340 -0.003 0.000 0.263 1550 L C -0.360 176.589 176.870 0.131 0.000 0.957 1550 L CA -1.020 53.859 54.840 0.064 0.000 0.836 1550 L CB 2.299 44.378 42.059 0.032 0.000 1.324 1550 L HN 0.372 nan 8.230 nan 0.000 0.406 1551 R N 1.872 122.445 120.500 0.122 0.000 2.494 1551 R HA 0.793 5.131 4.340 -0.003 0.000 0.305 1551 R C -0.463 175.878 176.300 0.068 0.000 0.959 1551 R CA 0.047 56.217 56.100 0.116 0.000 0.864 1551 R CB 2.056 32.438 30.300 0.137 0.000 1.159 1551 R HN 0.834 nan 8.270 nan 0.000 0.446 1552 A N 3.349 126.173 122.820 0.006 0.000 3.720 1552 A HA 0.213 4.532 4.320 -0.003 0.000 0.157 1552 A C 0.534 178.151 177.584 0.054 0.000 1.736 1552 A CA 0.489 52.494 52.037 -0.052 0.000 1.289 1552 A CB 0.158 19.109 19.000 -0.082 0.000 1.598 1552 A HN 0.863 nan 8.150 nan 0.000 0.692 1553 E N -2.340 117.894 120.200 0.056 0.000 2.701 1553 E HA 0.158 4.506 4.350 -0.003 0.000 0.201 1553 E C -0.296 176.339 176.600 0.059 0.000 0.961 1553 E CA 0.594 57.046 56.400 0.087 0.000 1.659 1553 E CB 0.757 30.510 29.700 0.088 0.000 1.970 1553 E HN 0.620 nan 8.360 nan 0.000 1.021 1554 S N -0.730 114.995 115.700 0.042 0.000 2.685 1554 S HA 0.431 4.899 4.470 -0.003 0.000 0.282 1554 S C 0.656 175.263 174.600 0.012 0.000 1.159 1554 S CA -0.761 57.456 58.200 0.027 0.000 0.833 1554 S CB 0.817 64.033 63.200 0.027 0.000 1.151 1554 S HN 0.085 nan 8.310 nan 0.000 0.485 1555 I N 1.296 121.870 120.570 0.006 0.000 2.493 1555 I HA -0.159 4.009 4.170 -0.003 0.000 0.254 1555 I C 1.833 177.943 176.117 -0.012 0.000 1.160 1555 I CA 0.846 62.144 61.300 -0.003 0.000 1.445 1555 I CB -0.575 37.424 38.000 -0.001 0.000 1.086 1555 I HN 0.604 nan 8.210 nan 0.000 0.433 1556 N N 0.860 119.555 118.700 -0.008 0.000 2.216 1556 N HA -0.132 4.606 4.740 -0.003 0.000 0.183 1556 N C 1.634 177.129 175.510 -0.024 0.000 1.017 1556 N CA 1.186 54.227 53.050 -0.016 0.000 0.861 1556 N CB -0.120 38.362 38.487 -0.009 0.000 0.986 1556 N HN 0.507 nan 8.380 nan 0.000 0.428 1557 E N 0.844 121.045 120.200 0.002 0.000 2.170 1557 E HA -0.044 4.304 4.350 -0.003 0.000 0.191 1557 E C 2.160 178.779 176.600 0.032 0.000 0.981 1557 E CA 0.154 56.572 56.400 0.030 0.000 0.830 1557 E CB 0.134 29.905 29.700 0.118 0.000 0.775 1557 E HN 0.427 nan 8.360 nan 0.000 0.470 1558 R N 1.081 121.563 120.500 -0.030 0.000 2.070 1558 R HA -0.106 4.232 4.340 -0.003 0.000 0.232 1558 R C 2.349 178.547 176.300 -0.170 0.000 1.138 1558 R CA 2.028 58.047 56.100 -0.135 0.000 0.936 1558 R CB -1.563 28.684 30.300 -0.088 0.000 0.839 1558 R HN 0.063 nan 8.270 nan 0.000 0.429 1559 T N -1.829 112.667 114.554 -0.097 0.000 3.077 1559 T HA 0.134 4.482 4.350 -0.003 0.000 0.269 1559 T C 1.959 176.591 174.700 -0.113 0.000 1.146 1559 T CA 0.716 62.766 62.100 -0.083 0.000 1.091 1559 T CB 0.018 68.858 68.868 -0.046 0.000 0.892 1559 T HN 0.448 nan 8.240 nan 0.000 0.533 1560 A N 0.886 123.615 122.820 -0.152 0.000 1.855 1560 A HA 0.179 4.497 4.320 -0.003 0.000 0.213 1560 A C 1.983 179.342 177.584 -0.374 0.000 1.195 1560 A CA 0.726 52.610 52.037 -0.255 0.000 0.610 1560 A CB -1.139 17.678 19.000 -0.305 0.000 0.837 1560 A HN 0.650 nan 8.150 nan 0.000 0.444 1561 W N 0.057 121.034 121.300 -0.538 0.000 2.358 1561 W HA -0.098 4.559 4.660 -0.005 0.000 0.303 1561 W C 2.290 178.603 176.519 -0.344 0.000 1.208 1561 W CA 1.395 58.406 57.345 -0.558 0.000 1.274 1561 W CB -0.776 28.242 29.460 -0.737 0.000 1.138 1561 W HN 0.118 nan 8.180 nan 0.000 0.515 1562 V N 0.270 120.113 119.914 -0.117 0.000 2.255 1562 V HA -0.373 3.745 4.120 -0.003 0.000 0.247 1562 V C 2.334 178.442 176.094 0.023 0.000 1.051 1562 V CA 2.330 64.654 62.300 0.040 0.000 1.018 1562 V CB -1.228 30.616 31.823 0.035 0.000 0.641 1562 V HN 0.168 nan 8.190 nan 0.000 0.445 1563 Q N 0.840 120.613 119.800 -0.046 0.000 2.014 1563 Q HA -0.248 4.091 4.340 -0.003 0.000 0.207 1563 Q C 2.148 178.118 176.000 -0.050 0.000 0.993 1563 Q CA 2.195 57.969 55.803 -0.048 0.000 0.850 1563 Q CB -0.368 28.320 28.738 -0.083 0.000 0.916 1563 Q HN 0.625 nan 8.270 nan 0.000 0.417 1564 K N -0.274 120.061 120.400 -0.107 0.000 2.025 1564 K HA -0.060 4.258 4.320 -0.003 0.000 0.207 1564 K C 2.260 178.841 176.600 -0.031 0.000 1.049 1564 K CA 1.509 57.730 56.287 -0.110 0.000 0.933 1564 K CB -0.272 32.088 32.500 -0.234 0.000 0.714 1564 K HN 0.276 nan 8.250 nan 0.000 0.438 1565 I N 1.520 122.104 120.570 0.023 0.000 2.208 1565 I HA -0.306 3.862 4.170 -0.003 0.000 0.245 1565 I C 2.655 178.836 176.117 0.106 0.000 1.097 1565 I CA 1.306 62.671 61.300 0.108 0.000 1.363 1565 I CB -0.256 37.872 38.000 0.212 0.000 1.051 1565 I HN 0.193 nan 8.210 nan 0.000 0.413 1566 K N 1.274 121.729 120.400 0.092 0.000 2.025 1566 K HA -0.178 4.141 4.320 -0.003 0.000 0.207 1566 K C 2.251 178.889 176.600 0.065 0.000 1.049 1566 K CA 1.495 57.831 56.287 0.082 0.000 0.933 1566 K CB -0.112 32.431 32.500 0.071 0.000 0.714 1566 K HN 0.269 nan 8.250 nan 0.000 0.438 1567 A N 1.208 124.053 122.820 0.041 0.000 1.845 1567 A HA -0.129 4.189 4.320 -0.003 0.000 0.215 1567 A C 2.380 179.997 177.584 0.054 0.000 1.195 1567 A CA 2.077 54.135 52.037 0.034 0.000 0.616 1567 A CB -1.074 17.929 19.000 0.006 0.000 0.832 1567 A HN 0.495 nan 8.150 nan 0.000 0.443 1568 A N -0.950 121.902 122.820 0.054 0.000 1.908 1568 A HA -0.151 4.167 4.320 -0.003 0.000 0.218 1568 A C 2.504 180.183 177.584 0.159 0.000 1.181 1568 A CA 2.388 54.476 52.037 0.085 0.000 0.627 1568 A CB -1.067 17.974 19.000 0.068 0.000 0.818 1568 A HN 0.564 nan 8.150 nan 0.000 0.445 1569 S N -0.574 115.219 115.700 0.155 0.000 2.356 1569 S HA -0.205 4.263 4.470 -0.003 0.000 0.223 1569 S C 1.927 176.616 174.600 0.149 0.000 1.032 1569 S CA 1.742 60.046 58.200 0.173 0.000 1.005 1569 S CB -0.384 62.892 63.200 0.126 0.000 0.867 1569 S HN 0.675 nan 8.310 nan 0.000 0.449 1570 E N 0.544 120.808 120.200 0.107 0.000 2.110 1570 E HA -0.105 4.243 4.350 -0.003 0.000 0.193 1570 E C 2.142 178.806 176.600 0.107 0.000 0.988 1570 E CA 1.029 57.481 56.400 0.086 0.000 0.804 1570 E CB -0.275 29.462 29.700 0.062 0.000 0.745 1570 E HN 0.454 nan 8.360 nan 0.000 0.458 1571 L N 0.308 121.601 121.223 0.117 0.000 2.141 1571 L HA -0.176 4.162 4.340 -0.003 0.000 0.209 1571 L C 2.287 179.264 176.870 0.178 0.000 1.094 1571 L CA 1.075 55.982 54.840 0.113 0.000 0.763 1571 L CB -0.134 41.974 42.059 0.081 0.000 0.908 1571 L HN 0.264 nan 8.230 nan 0.000 0.437 1572 Y N 0.054 120.390 120.300 0.060 0.000 2.220 1572 Y HA -0.251 4.297 4.550 -0.003 0.000 0.291 1572 Y C 2.445 178.385 175.900 0.065 0.000 1.129 1572 Y CA 1.191 59.337 58.100 0.075 0.000 1.161 1572 Y CB 0.154 38.677 38.460 0.105 0.000 0.997 1572 Y HN 0.108 nan 8.280 nan 0.000 0.522 1573 I N 0.722 121.418 120.570 0.210 0.000 2.099 1573 I HA -0.359 3.809 4.170 -0.003 0.000 0.239 1573 I C 2.158 178.338 176.117 0.105 0.000 1.066 1573 I CA 1.901 63.252 61.300 0.084 0.000 1.324 1573 I CB -0.560 37.464 38.000 0.041 0.000 1.037 1573 I HN 0.298 nan 8.210 nan 0.000 0.401 1574 E N 0.405 120.665 120.200 0.100 0.000 2.065 1574 E HA -0.239 4.109 4.350 -0.003 0.000 0.201 1574 E C 2.111 178.764 176.600 0.087 0.000 1.016 1574 E CA 2.174 58.621 56.400 0.078 0.000 0.818 1574 E CB -0.312 29.428 29.700 0.066 0.000 0.749 1574 E HN 0.465 nan 8.360 nan 0.000 0.453 1575 T N 0.476 115.100 114.554 0.117 0.000 2.881 1575 T HA -0.168 4.180 4.350 -0.003 0.000 0.270 1575 T C 1.748 176.522 174.700 0.123 0.000 1.068 1575 T CA 1.340 63.502 62.100 0.104 0.000 1.131 1575 T CB -0.102 68.823 68.868 0.096 0.000 0.871 1575 T HN 0.237 nan 8.240 nan 0.000 0.479 1576 E N 0.531 120.835 120.200 0.172 0.000 2.170 1576 E HA -0.025 4.323 4.350 -0.003 0.000 0.191 1576 E C 1.311 177.962 176.600 0.085 0.000 0.981 1576 E CA 0.495 56.988 56.400 0.155 0.000 0.830 1576 E CB 0.183 29.991 29.700 0.180 0.000 0.775 1576 E HN -0.009 nan 8.360 nan 0.000 0.470 1577 K N 1.038 121.479 120.400 0.068 0.000 2.699 1577 K HA -0.006 4.312 4.320 -0.003 0.000 0.205 1577 K C 0.035 176.658 176.600 0.039 0.000 1.008 1577 K CA 0.540 56.853 56.287 0.043 0.000 1.100 1577 K CB 0.012 32.534 32.500 0.036 0.000 0.878 1577 K HN 0.086 nan 8.250 nan 0.000 0.496 1578 K N 0.426 120.854 120.400 0.045 0.000 2.972 1578 K HA 0.177 4.495 4.320 -0.003 0.000 0.209 1578 K C -0.139 176.482 176.600 0.035 0.000 1.128 1578 K CA -0.052 56.256 56.287 0.036 0.000 1.024 1578 K CB 0.909 33.431 32.500 0.037 0.000 0.754 1578 K HN -0.056 nan 8.250 nan 0.000 0.454 1579 K N 0.407 120.828 120.400 0.034 0.000 2.149 1579 K HA 0.540 4.859 4.320 -0.003 0.000 0.241 1579 K C -0.326 176.286 176.600 0.021 0.000 1.083 1579 K CA -0.971 55.334 56.287 0.030 0.000 0.885 1579 K CB 1.412 33.936 32.500 0.039 0.000 1.374 1579 K HN 0.005 nan 8.250 nan 0.000 0.511 1580 R N 0.000 120.511 120.500 0.018 0.000 2.786 1580 R HA 0.000 4.338 4.340 -0.003 0.000 0.208 1580 R CA 0.000 56.107 56.100 0.012 0.000 0.921 1580 R CB 0.000 30.306 30.300 0.010 0.000 0.687 1580 R HN 0.000 nan 8.270 nan 0.000 0.535