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 2vk7_1_A DATA FIRST_RESID 1243 DATA SEQUENCE VEGAVKTEPV DLFHPGFLNS SNYRIPALFK TKEGTLIASI DARRHGGADA DATA SEQUENCE PNNDIDTAVR RSEDGGKTWD EGQIIMDYPD KSSVIDTTLI QDDETGRIFL DATA SEQUENCE LVTHFPSKYG FWNAGLGSGF KNIDGKEYLC LYDSSGKEFT VRENVVYDKD DATA SEQUENCE SNKTEYTTNA LGDLFKNGTK IDNINSSTAP LKAKGTSYIN LVYSDDDGKT DATA SEQUENCE WSEPQNINFQ VKKDWMKFLG IAPGRGIQIK NGEHKGRIVV PVYYTNEKGK DATA SEQUENCE QSSAVIYSDD SGKNWTIGES PNDNRKLENG KIINSKTLSD DAPQLTECQV DATA SEQUENCE VEMPNGQLKL FMRNLSGYLN IATSFDGGAT WDETVEKDTN VLEPYCQLSV DATA SEQUENCE INYSQKVDGK DAVIFSNPNA RSRSNGTVRI GLINQVGTYE NGEPKYEFDW DATA SEQUENCE KYNKLVKPGY YAYSCLTELS NGNIGLLYEG TPSEEMSYIE MNLKYLESG 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 1243 V HA 0.000 nan 4.120 nan 0.000 0.244 1243 V C 0.000 176.118 176.094 0.039 0.000 1.182 1243 V CA 0.000 62.323 62.300 0.038 0.000 1.235 1243 V CB 0.000 31.837 31.823 0.023 0.000 1.184 1244 E N 1.070 121.286 120.200 0.027 0.000 2.415 1244 E HA 0.451 4.647 4.350 -0.256 0.000 0.263 1244 E C 1.217 177.832 176.600 0.025 0.000 0.995 1244 E CA 1.306 57.720 56.400 0.024 0.000 0.915 1244 E CB 0.708 30.419 29.700 0.018 0.000 0.951 1244 E HN 1.879 nan 8.360 nan 0.000 0.449 1245 G N 2.316 111.131 108.800 0.025 0.000 2.205 1245 G HA2 -0.350 3.457 3.960 -0.256 0.000 0.261 1245 G HA3 -0.350 3.457 3.960 -0.256 0.000 0.261 1245 G C 0.415 175.336 174.900 0.035 0.000 0.980 1245 G CA -0.030 45.085 45.100 0.024 0.000 0.632 1245 G HN 0.809 nan 8.290 nan 0.000 0.533 1246 A N -0.182 122.671 122.820 0.054 0.000 2.477 1246 A HA 0.605 4.771 4.320 -0.256 0.000 0.246 1246 A C 0.293 177.906 177.584 0.049 0.000 1.078 1246 A CA 0.675 52.772 52.037 0.098 0.000 0.770 1246 A CB 0.925 20.031 19.000 0.176 0.000 1.011 1246 A HN 1.176 nan 8.150 nan 0.000 0.494 1247 V N 3.817 123.745 119.914 0.023 0.000 2.444 1247 V HA 0.519 4.485 4.120 -0.256 0.000 0.294 1247 V C 0.017 175.968 176.094 -0.240 0.000 1.022 1247 V CA -0.523 61.736 62.300 -0.068 0.000 0.850 1247 V CB 1.563 33.368 31.823 -0.030 0.000 0.992 1247 V HN 0.904 nan 8.190 nan 0.000 0.426 1248 K N 3.767 123.953 120.400 -0.357 0.000 2.668 1248 K HA 0.423 4.589 4.320 -0.256 0.000 0.246 1248 K C -0.052 176.391 176.600 -0.262 0.000 0.976 1248 K CA -0.376 55.603 56.287 -0.514 0.000 0.902 1248 K CB 1.732 33.608 32.500 -1.039 0.000 1.172 1248 K HN 0.819 nan 8.250 nan 0.000 0.452 1249 T N 0.549 115.001 114.554 -0.171 0.000 2.900 1249 T HA 0.067 4.264 4.350 -0.256 0.000 0.307 1249 T C 0.357 175.013 174.700 -0.073 0.000 1.065 1249 T CA -0.482 61.564 62.100 -0.090 0.000 1.105 1249 T CB 1.103 69.946 68.868 -0.042 0.000 0.979 1249 T HN 0.592 nan 8.240 nan 0.000 0.544 1250 E N 2.459 122.639 120.200 -0.034 0.000 2.376 1250 E HA 0.240 4.437 4.350 -0.256 0.000 0.266 1250 E C -2.358 174.244 176.600 0.002 0.000 1.009 1250 E CA -1.588 54.804 56.400 -0.013 0.000 0.902 1250 E CB -0.087 29.610 29.700 -0.004 0.000 0.972 1250 E HN 0.432 nan 8.360 nan 0.000 0.439 1251 P HA -0.016 nan 4.420 nan 0.000 0.266 1251 P C -1.121 176.174 177.300 -0.008 0.000 1.195 1251 P CA -0.059 63.050 63.100 0.015 0.000 0.768 1251 P CB 0.681 32.412 31.700 0.050 0.000 0.838 1252 V N 3.657 123.565 119.914 -0.011 0.000 2.435 1252 V HA 0.155 4.122 4.120 -0.256 0.000 0.290 1252 V C 0.066 176.083 176.094 -0.130 0.000 1.030 1252 V CA -0.468 61.811 62.300 -0.036 0.000 0.881 1252 V CB 1.547 33.397 31.823 0.044 0.000 0.983 1252 V HN 0.435 nan 8.190 nan 0.000 0.445 1253 D N 4.175 124.481 120.400 -0.157 0.000 2.416 1253 D HA 0.094 4.580 4.640 -0.256 0.000 0.240 1253 D C 0.834 176.950 176.300 -0.306 0.000 1.250 1253 D CA -0.093 53.797 54.000 -0.185 0.000 0.967 1253 D CB 1.375 42.096 40.800 -0.132 0.000 1.059 1253 D HN 0.359 nan 8.370 nan 0.000 0.512 1254 L N 2.237 123.156 121.223 -0.507 0.000 2.156 1254 L HA 0.085 4.271 4.340 -0.256 0.000 0.208 1254 L C -0.162 175.814 176.870 -1.490 0.000 1.095 1254 L CA 1.498 55.736 54.840 -1.005 0.000 0.770 1254 L CB -0.005 41.376 42.059 -1.131 0.000 0.914 1254 L HN 0.077 nan 8.230 nan 0.000 0.439 1255 F N -0.373 119.156 119.950 -0.702 0.000 2.577 1255 F HA 0.561 4.931 4.527 -0.262 0.000 0.318 1255 F C -0.042 175.419 175.800 -0.564 0.000 1.065 1255 F CA -0.872 56.512 58.000 -1.027 0.000 0.929 1255 F CB 1.459 39.632 39.000 -1.380 0.000 1.237 1255 F HN 0.069 nan 8.300 nan 0.000 0.468 1256 H N -1.243 117.702 119.070 -0.207 0.000 2.987 1256 H HA 0.329 4.729 4.556 -0.259 0.000 0.316 1256 H C -3.482 172.021 175.328 0.291 0.000 1.380 1256 H CA -2.309 53.774 56.048 0.059 0.000 1.160 1256 H CB 1.068 30.815 29.762 -0.026 0.000 1.865 1256 H HN 0.167 nan 8.280 nan 0.000 0.521 1257 P HA 0.078 nan 4.420 nan 0.000 0.262 1257 P C 1.078 178.578 177.300 0.332 0.000 1.182 1257 P CA 2.867 66.139 63.100 0.288 0.000 0.761 1257 P CB 0.330 32.140 31.700 0.184 0.000 0.795 1258 G N 2.567 111.508 108.800 0.236 0.000 2.258 1258 G HA2 -0.283 3.524 3.960 -0.256 0.000 0.233 1258 G HA3 -0.283 3.524 3.960 -0.256 0.000 0.233 1258 G C 0.089 175.091 174.900 0.170 0.000 1.006 1258 G CA -0.470 44.745 45.100 0.192 0.000 0.620 1258 G HN 0.532 nan 8.290 nan 0.000 0.511 1259 F N 2.892 122.825 119.950 -0.029 0.000 2.543 1259 F HA 0.505 4.883 4.527 -0.248 0.000 0.375 1259 F C 1.641 177.500 175.800 0.099 0.000 1.075 1259 F CA 0.639 58.564 58.000 -0.126 0.000 1.225 1259 F CB 0.150 38.817 39.000 -0.556 0.000 1.099 1259 F HN 0.382 nan 8.300 nan 0.000 0.561 1260 L N 4.211 125.113 121.223 -0.535 0.000 4.179 1260 L HA -0.423 3.763 4.340 -0.256 0.000 0.418 1260 L C 0.845 177.659 176.870 -0.094 0.000 1.168 1260 L CA 0.852 55.523 54.840 -0.283 0.000 0.972 1260 L CB -2.022 39.945 42.059 -0.153 0.000 2.005 1260 L HN 0.938 nan 8.230 nan 0.000 0.935 1261 N N -0.501 118.165 118.700 -0.056 0.000 2.741 1261 N HA -0.194 4.392 4.740 -0.256 0.000 0.250 1261 N C 0.001 175.490 175.510 -0.035 0.000 1.115 1261 N CA 1.201 54.235 53.050 -0.026 0.000 0.724 1261 N CB -0.471 37.991 38.487 -0.042 0.000 1.090 1261 N HN 0.545 nan 8.380 nan 0.000 0.558 1262 S N -1.235 114.453 115.700 -0.020 0.000 2.462 1262 S HA 0.520 4.836 4.470 -0.256 0.000 0.294 1262 S C 1.357 175.902 174.600 -0.092 0.000 1.144 1262 S CA 0.090 58.197 58.200 -0.155 0.000 1.088 1262 S CB 1.006 63.946 63.200 -0.433 0.000 1.009 1262 S HN 0.401 nan 8.310 nan 0.000 0.484 1263 S N 4.259 119.894 115.700 -0.108 0.000 2.428 1263 S HA 0.115 4.432 4.470 -0.256 0.000 0.230 1263 S C 0.584 175.158 174.600 -0.042 0.000 1.014 1263 S CA 0.261 58.439 58.200 -0.036 0.000 0.957 1263 S CB -0.334 62.851 63.200 -0.025 0.000 0.784 1263 S HN 0.740 nan 8.310 nan 0.000 0.499 1264 N N -0.768 117.824 118.700 -0.180 0.000 2.525 1264 N HA 0.512 5.098 4.740 -0.256 0.000 0.270 1264 N C -2.091 173.184 175.510 -0.392 0.000 1.321 1264 N CA -0.454 52.510 53.050 -0.144 0.000 0.797 1264 N CB 1.784 40.202 38.487 -0.115 0.000 1.529 1264 N HN 0.178 nan 8.380 nan 0.000 0.491 1265 Y N -0.064 120.194 120.300 -0.070 0.000 2.544 1265 Y HA 0.498 4.895 4.550 -0.254 0.000 0.342 1265 Y C -0.161 175.662 175.900 -0.127 0.000 1.062 1265 Y CA -0.662 57.368 58.100 -0.118 0.000 1.023 1265 Y CB 2.234 40.634 38.460 -0.100 0.000 1.308 1265 Y HN 0.216 nan 8.280 nan 0.000 0.457 1266 R N 2.184 122.679 120.500 -0.008 0.000 2.716 1266 R HA 0.586 4.773 4.340 -0.256 0.000 0.271 1266 R C -1.736 174.506 176.300 -0.097 0.000 1.028 1266 R CA -1.034 55.019 56.100 -0.078 0.000 0.883 1266 R CB 2.293 32.504 30.300 -0.149 0.000 1.250 1266 R HN 0.653 nan 8.270 nan 0.000 0.465 1267 I N -0.199 120.305 120.570 -0.111 0.000 6.472 1267 I HA -0.120 3.896 4.170 -0.256 0.000 0.126 1267 I C -2.495 173.631 176.117 0.014 0.000 1.826 1267 I CA -0.428 60.851 61.300 -0.035 0.000 2.037 1267 I CB -1.913 36.068 38.000 -0.032 0.000 3.494 1267 I HN 0.495 nan 8.210 nan 0.000 0.169 1268 P HA 0.529 nan 4.420 nan 0.000 0.278 1268 P C -0.340 177.009 177.300 0.081 0.000 1.238 1268 P CA -0.050 63.078 63.100 0.047 0.000 0.794 1268 P CB 2.063 33.803 31.700 0.065 0.000 0.955 1269 A N 2.912 125.785 122.820 0.088 0.000 2.449 1269 A HA 0.731 4.897 4.320 -0.256 0.000 0.302 1269 A C -1.605 176.089 177.584 0.183 0.000 1.048 1269 A CA -0.657 51.454 52.037 0.125 0.000 0.708 1269 A CB 1.247 20.305 19.000 0.097 0.000 1.274 1269 A HN 0.525 nan 8.150 nan 0.000 0.410 1270 L N 1.731 123.097 121.223 0.239 0.000 2.493 1270 L HA 0.887 5.074 4.340 -0.256 0.000 0.265 1270 L C -1.786 175.314 176.870 0.383 0.000 0.954 1270 L CA -0.335 54.686 54.840 0.301 0.000 0.844 1270 L CB 1.664 43.894 42.059 0.284 0.000 1.302 1270 L HN 0.779 nan 8.230 nan 0.000 0.405 1271 F N 3.974 124.045 119.950 0.201 0.000 2.615 1271 F HA 0.479 4.851 4.527 -0.257 0.000 0.312 1271 F C -1.254 174.645 175.800 0.165 0.000 1.119 1271 F CA -0.656 57.451 58.000 0.178 0.000 0.979 1271 F CB 1.545 40.656 39.000 0.184 0.000 1.266 1271 F HN 0.518 nan 8.300 nan 0.000 0.444 1272 K N 4.332 124.447 120.400 -0.474 0.000 2.213 1272 K HA 0.400 4.566 4.320 -0.256 0.000 0.270 1272 K C -0.241 176.092 176.600 -0.446 0.000 1.002 1272 K CA -0.331 55.774 56.287 -0.303 0.000 0.868 1272 K CB 1.242 33.614 32.500 -0.213 0.000 1.093 1272 K HN 0.810 nan 8.250 nan 0.000 0.454 1273 T N 0.411 114.944 114.554 -0.036 0.000 2.788 1273 T HA 0.118 4.315 4.350 -0.256 0.000 0.280 1273 T C 1.254 175.973 174.700 0.032 0.000 0.984 1273 T CA -0.439 61.737 62.100 0.128 0.000 0.972 1273 T CB 1.167 70.148 68.868 0.189 0.000 1.039 1273 T HN 0.719 nan 8.240 nan 0.000 0.530 1274 K N -0.106 120.345 120.400 0.085 0.000 2.152 1274 K HA -0.125 4.042 4.320 -0.256 0.000 0.206 1274 K C 1.769 178.379 176.600 0.016 0.000 1.048 1274 K CA 1.279 57.593 56.287 0.044 0.000 0.933 1274 K CB -0.038 32.500 32.500 0.065 0.000 0.721 1274 K HN 0.544 nan 8.250 nan 0.000 0.447 1275 E N -0.773 119.438 120.200 0.018 0.000 2.482 1275 E HA -0.013 4.184 4.350 -0.256 0.000 0.196 1275 E C 1.070 177.661 176.600 -0.015 0.000 1.047 1275 E CA 0.886 57.286 56.400 -0.000 0.000 0.869 1275 E CB 0.441 30.140 29.700 -0.001 0.000 0.836 1275 E HN 0.581 nan 8.360 nan 0.000 0.520 1276 G N 1.162 109.950 108.800 -0.020 0.000 2.157 1276 G HA2 -0.247 3.560 3.960 -0.256 0.000 0.239 1276 G HA3 -0.247 3.560 3.960 -0.256 0.000 0.239 1276 G C 0.455 175.325 174.900 -0.050 0.000 0.982 1276 G CA 0.483 45.560 45.100 -0.039 0.000 0.650 1276 G HN 0.248 nan 8.290 nan 0.000 0.527 1277 T N 1.554 116.091 114.554 -0.029 0.000 2.907 1277 T HA 0.549 4.746 4.350 -0.256 0.000 0.298 1277 T C 0.788 175.478 174.700 -0.017 0.000 1.017 1277 T CA -0.061 62.016 62.100 -0.039 0.000 1.118 1277 T CB 1.216 70.085 68.868 0.003 0.000 0.948 1277 T HN 0.323 nan 8.240 nan 0.000 0.531 1278 L N 3.907 125.079 121.223 -0.086 0.000 2.292 1278 L HA 0.478 4.665 4.340 -0.256 0.000 0.284 1278 L C -0.186 176.786 176.870 0.170 0.000 1.065 1278 L CA -0.864 53.982 54.840 0.011 0.000 0.806 1278 L CB 0.686 42.661 42.059 -0.140 0.000 1.175 1278 L HN 0.373 nan 8.230 nan 0.000 0.431 1279 I N 2.843 123.609 120.570 0.326 0.000 2.378 1279 I HA 0.500 4.517 4.170 -0.256 0.000 0.291 1279 I C 0.152 176.518 176.117 0.415 0.000 0.992 1279 I CA -0.380 61.162 61.300 0.403 0.000 1.154 1279 I CB 1.671 39.932 38.000 0.435 0.000 1.315 1279 I HN 0.603 nan 8.210 nan 0.000 0.448 1280 A N 4.683 127.746 122.820 0.406 0.000 2.318 1280 A HA 0.701 4.867 4.320 -0.256 0.000 0.317 1280 A C -0.274 177.473 177.584 0.271 0.000 1.159 1280 A CA -0.446 51.764 52.037 0.289 0.000 0.799 1280 A CB 1.479 20.535 19.000 0.094 0.000 1.194 1280 A HN 0.647 nan 8.150 nan 0.000 0.479 1281 S N 1.265 117.053 115.700 0.147 0.000 2.607 1281 S HA 0.895 5.211 4.470 -0.256 0.000 0.303 1281 S C -0.891 173.628 174.600 -0.135 0.000 1.086 1281 S CA -0.382 57.819 58.200 0.001 0.000 0.995 1281 S CB 0.983 64.162 63.200 -0.036 0.000 1.084 1281 S HN 1.234 nan 8.310 nan 0.000 0.507 1282 I N 1.566 121.974 120.570 -0.269 0.000 2.897 1282 I HA 0.376 4.392 4.170 -0.256 0.000 0.299 1282 I C -1.981 174.006 176.117 -0.216 0.000 1.527 1282 I CA -0.384 60.712 61.300 -0.341 0.000 0.979 1282 I CB 2.219 39.660 38.000 -0.931 0.000 1.360 1282 I HN 0.559 nan 8.210 nan 0.000 0.495 1283 D N 4.609 124.923 120.400 -0.143 0.000 2.317 1283 D HA 0.574 5.061 4.640 -0.256 0.000 0.252 1283 D C -0.333 175.855 176.300 -0.186 0.000 1.174 1283 D CA 0.219 54.146 54.000 -0.123 0.000 0.866 1283 D CB 1.447 42.188 40.800 -0.098 0.000 1.127 1283 D HN 0.618 nan 8.370 nan 0.000 0.467 1284 A N 4.378 127.046 122.820 -0.254 0.000 2.650 1284 A HA 0.229 4.395 4.320 -0.256 0.000 0.320 1284 A C 0.314 177.651 177.584 -0.410 0.000 1.466 1284 A CA -0.592 51.119 52.037 -0.542 0.000 1.099 1284 A CB -0.025 18.772 19.000 -0.338 0.000 1.136 1284 A HN 0.376 nan 8.150 nan 0.000 0.532 1285 R N 2.338 122.583 120.500 -0.427 0.000 2.220 1285 R HA 0.211 4.397 4.340 -0.256 0.000 0.340 1285 R C 0.229 176.354 176.300 -0.292 0.000 1.076 1285 R CA -0.575 55.362 56.100 -0.271 0.000 0.920 1285 R CB 0.844 31.029 30.300 -0.192 0.000 1.062 1285 R HN 0.578 nan 8.270 nan 0.000 0.469 1286 R N 1.177 121.480 120.500 -0.327 0.000 2.246 1286 R HA 0.006 4.192 4.340 -0.256 0.000 0.199 1286 R C 0.524 176.587 176.300 -0.394 0.000 0.984 1286 R CA 0.932 56.783 56.100 -0.415 0.000 1.015 1286 R CB 0.104 30.088 30.300 -0.526 0.000 0.930 1286 R HN 0.679 nan 8.270 nan 0.000 0.475 1287 H N -0.749 118.277 119.070 -0.073 0.000 2.581 1287 H HA 0.395 4.798 4.556 -0.255 0.000 0.275 1287 H C 0.595 175.891 175.328 -0.054 0.000 1.126 1287 H CA -0.024 55.992 56.048 -0.054 0.000 1.097 1287 H CB 1.094 30.831 29.762 -0.042 0.000 1.626 1287 H HN 0.331 nan 8.280 nan 0.000 0.565 1288 G N -0.582 108.230 108.800 0.020 0.000 2.315 1288 G HA2 -0.048 3.759 3.960 -0.256 0.000 0.296 1288 G HA3 -0.048 3.759 3.960 -0.256 0.000 0.296 1288 G C 0.628 175.503 174.900 -0.042 0.000 1.289 1288 G CA -0.417 44.679 45.100 -0.007 0.000 0.996 1288 G HN 0.162 nan 8.290 nan 0.000 0.487 1289 G N -0.083 108.690 108.800 -0.043 0.000 2.939 1289 G HA2 0.605 4.412 3.960 -0.256 0.000 0.210 1289 G HA3 0.605 4.412 3.960 -0.256 0.000 0.210 1289 G C 1.000 175.866 174.900 -0.056 0.000 1.160 1289 G CA 1.600 46.664 45.100 -0.061 0.000 0.770 1289 G HN 1.848 nan 8.290 nan 0.000 0.543 1290 A N 0.745 123.544 122.820 -0.036 0.000 2.425 1290 A HA 0.423 4.590 4.320 -0.256 0.000 0.242 1290 A C -0.054 177.513 177.584 -0.030 0.000 1.077 1290 A CA -0.291 51.729 52.037 -0.029 0.000 0.781 1290 A CB 0.317 19.306 19.000 -0.017 0.000 1.020 1290 A HN 0.219 nan 8.150 nan 0.000 0.494 1291 D N 0.614 121.000 120.400 -0.024 0.000 2.368 1291 D HA 0.397 4.883 4.640 -0.256 0.000 0.240 1291 D C 0.818 177.104 176.300 -0.024 0.000 1.169 1291 D CA 0.922 54.910 54.000 -0.020 0.000 0.906 1291 D CB 0.568 41.363 40.800 -0.007 0.000 1.187 1291 D HN 0.771 nan 8.370 nan 0.000 0.435 1292 A N 2.207 125.008 122.820 -0.032 0.000 2.587 1292 A HA 0.129 4.296 4.320 -0.256 0.000 0.233 1292 A C -1.343 176.151 177.584 -0.150 0.000 1.049 1292 A CA -0.505 51.476 52.037 -0.093 0.000 0.754 1292 A CB -0.031 18.891 19.000 -0.131 0.000 0.977 1292 A HN 0.437 nan 8.150 nan 0.000 0.509 1293 P HA 0.037 nan 4.420 nan 0.000 0.255 1293 P C -0.150 177.114 177.300 -0.059 0.000 1.248 1293 P CA 0.165 63.191 63.100 -0.123 0.000 0.807 1293 P CB 0.160 31.759 31.700 -0.168 0.000 1.150 1294 N N 1.415 120.091 118.700 -0.040 0.000 3.052 1294 N HA 0.107 4.694 4.740 -0.256 0.000 0.302 1294 N C -0.009 175.508 175.510 0.012 0.000 1.332 1294 N CA 0.361 53.399 53.050 -0.020 0.000 1.129 1294 N CB -0.250 38.223 38.487 -0.024 0.000 1.436 1294 N HN 0.216 nan 8.380 nan 0.000 0.536 1295 N N 0.078 118.801 118.700 0.038 0.000 3.373 1295 N HA 0.107 4.694 4.740 -0.256 0.000 0.275 1295 N C -2.255 173.321 175.510 0.110 0.000 1.489 1295 N CA -0.335 52.766 53.050 0.085 0.000 0.872 1295 N CB 1.374 39.873 38.487 0.020 0.000 1.555 1295 N HN -0.056 nan 8.380 nan 0.000 0.500 1296 D N 1.338 121.772 120.400 0.058 0.000 2.476 1296 D HA 0.471 4.958 4.640 -0.256 0.000 0.251 1296 D C -1.004 175.242 176.300 -0.090 0.000 1.291 1296 D CA -0.114 53.888 54.000 0.004 0.000 0.939 1296 D CB 0.553 41.355 40.800 0.003 0.000 1.221 1296 D HN 0.436 nan 8.370 nan 0.000 0.567 1297 I N 2.654 123.215 120.570 -0.016 0.000 2.433 1297 I HA 0.336 4.353 4.170 -0.256 0.000 0.292 1297 I C -0.193 175.925 176.117 0.002 0.000 1.001 1297 I CA -0.822 60.452 61.300 -0.042 0.000 1.119 1297 I CB 1.967 39.961 38.000 -0.009 0.000 1.289 1297 I HN 0.096 nan 8.210 nan 0.000 0.438 1298 D N 3.469 123.837 120.400 -0.054 0.000 2.340 1298 D HA 0.406 4.893 4.640 -0.256 0.000 0.243 1298 D C -0.497 175.769 176.300 -0.056 0.000 0.988 1298 D CA -0.373 53.608 54.000 -0.033 0.000 0.959 1298 D CB 2.109 42.870 40.800 -0.065 0.000 1.226 1298 D HN 0.318 nan 8.370 nan 0.000 0.509 1299 T N 0.532 115.053 114.554 -0.055 0.000 2.767 1299 T HA 0.645 4.842 4.350 -0.256 0.000 0.288 1299 T C -0.194 174.450 174.700 -0.094 0.000 0.963 1299 T CA -0.513 61.532 62.100 -0.091 0.000 1.019 1299 T CB 1.170 69.968 68.868 -0.117 0.000 0.923 1299 T HN 0.414 nan 8.240 nan 0.000 0.468 1300 A N 2.961 125.731 122.820 -0.084 0.000 2.356 1300 A HA 0.881 5.048 4.320 -0.256 0.000 0.323 1300 A C -0.843 176.739 177.584 -0.003 0.000 1.119 1300 A CA -0.656 51.382 52.037 0.001 0.000 0.790 1300 A CB 1.263 20.348 19.000 0.141 0.000 1.273 1300 A HN 0.661 nan 8.150 nan 0.000 0.452 1301 V N 1.732 121.725 119.914 0.132 0.000 2.760 1301 V HA 0.544 4.511 4.120 -0.256 0.000 0.309 1301 V C -0.254 176.054 176.094 0.357 0.000 1.077 1301 V CA -0.609 61.816 62.300 0.208 0.000 0.910 1301 V CB 1.956 33.841 31.823 0.103 0.000 1.008 1301 V HN 0.998 nan 8.190 nan 0.000 0.424 1302 R N 2.907 123.646 120.500 0.397 0.000 2.803 1302 R HA 0.782 4.968 4.340 -0.256 0.000 0.276 1302 R C -0.894 175.671 176.300 0.442 0.000 0.978 1302 R CA -0.962 55.344 56.100 0.343 0.000 0.939 1302 R CB 2.812 33.162 30.300 0.084 0.000 1.179 1302 R HN 0.616 nan 8.270 nan 0.000 0.472 1303 R N 0.114 120.856 120.500 0.404 0.000 2.740 1303 R HA 0.420 4.606 4.340 -0.256 0.000 0.282 1303 R C -0.958 175.371 176.300 0.048 0.000 0.969 1303 R CA -0.658 55.602 56.100 0.268 0.000 0.918 1303 R CB 2.370 32.769 30.300 0.164 0.000 1.175 1303 R HN 0.436 nan 8.270 nan 0.000 0.464 1304 S N 0.600 116.079 115.700 -0.368 0.000 2.532 1304 S HA 0.211 4.528 4.470 -0.256 0.000 0.299 1304 S C -0.134 174.231 174.600 -0.392 0.000 1.105 1304 S CA -0.653 57.128 58.200 -0.698 0.000 1.018 1304 S CB 1.335 63.538 63.200 -1.663 0.000 1.021 1304 S HN 0.698 nan 8.310 nan 0.000 0.483 1305 E N 1.954 121.990 120.200 -0.273 0.000 2.476 1305 E HA 0.078 4.275 4.350 -0.256 0.000 0.196 1305 E C -0.481 176.020 176.600 -0.166 0.000 1.029 1305 E CA 0.101 56.399 56.400 -0.171 0.000 0.896 1305 E CB 0.296 29.934 29.700 -0.103 0.000 1.012 1305 E HN 0.734 nan 8.360 nan 0.000 0.475 1306 D N -0.805 119.460 120.400 -0.225 0.000 2.720 1306 D HA 0.140 4.626 4.640 -0.256 0.000 0.285 1306 D C 0.863 177.059 176.300 -0.172 0.000 1.359 1306 D CA -0.328 53.574 54.000 -0.164 0.000 0.818 1306 D CB 0.266 40.985 40.800 -0.135 0.000 1.108 1306 D HN 0.072 nan 8.370 nan 0.000 0.474 1307 G N -0.232 108.447 108.800 -0.202 0.000 2.160 1307 G HA2 0.017 3.823 3.960 -0.256 0.000 0.244 1307 G HA3 0.017 3.823 3.960 -0.256 0.000 0.244 1307 G C 1.144 175.952 174.900 -0.153 0.000 1.022 1307 G CA 0.336 45.353 45.100 -0.139 0.000 0.741 1307 G HN 1.453 nan 8.290 nan 0.000 0.508 1308 G N -1.251 107.298 108.800 -0.418 0.000 2.157 1308 G HA2 -0.247 3.559 3.960 -0.256 0.000 0.248 1308 G HA3 -0.247 3.559 3.960 -0.256 0.000 0.248 1308 G C 1.233 176.017 174.900 -0.192 0.000 0.979 1308 G CA 1.180 45.985 45.100 -0.491 0.000 0.650 1308 G HN 0.778 nan 8.290 nan 0.000 0.529 1309 K N 0.398 120.689 120.400 -0.182 0.000 2.116 1309 K HA 0.112 4.279 4.320 -0.256 0.000 0.203 1309 K C 1.487 178.059 176.600 -0.047 0.000 1.052 1309 K CA 1.754 58.017 56.287 -0.039 0.000 0.952 1309 K CB -0.264 32.216 32.500 -0.034 0.000 0.729 1309 K HN 0.944 nan 8.250 nan 0.000 0.446 1310 T N -2.692 111.732 114.554 -0.216 0.000 2.903 1310 T HA 0.597 4.794 4.350 -0.256 0.000 0.299 1310 T C -1.262 173.248 174.700 -0.316 0.000 1.093 1310 T CA -0.961 61.074 62.100 -0.109 0.000 1.002 1310 T CB 1.524 70.363 68.868 -0.049 0.000 1.127 1310 T HN 0.085 nan 8.240 nan 0.000 0.488 1311 W N 1.204 122.450 121.300 -0.089 0.000 2.950 1311 W HA 0.512 5.017 4.660 -0.257 0.000 0.340 1311 W C -0.144 176.352 176.519 -0.039 0.000 1.139 1311 W CA -0.559 56.724 57.345 -0.104 0.000 1.188 1311 W CB 1.362 30.697 29.460 -0.209 0.000 1.426 1311 W HN 0.962 nan 8.180 nan 0.000 0.531 1312 D N -0.350 120.193 120.400 0.239 0.000 2.380 1312 D HA 0.020 4.506 4.640 -0.256 0.000 0.254 1312 D C 0.473 176.917 176.300 0.239 0.000 1.288 1312 D CA -0.068 54.042 54.000 0.185 0.000 1.008 1312 D CB 0.540 41.431 40.800 0.151 0.000 1.099 1312 D HN 0.608 nan 8.370 nan 0.000 0.537 1313 E N -1.109 119.210 120.200 0.197 0.000 2.511 1313 E HA 0.259 4.456 4.350 -0.256 0.000 0.196 1313 E C 0.665 177.401 176.600 0.226 0.000 1.066 1313 E CA 0.361 56.881 56.400 0.199 0.000 0.871 1313 E CB -0.269 29.478 29.700 0.078 0.000 0.863 1313 E HN 0.652 nan 8.360 nan 0.000 0.520 1314 G N 1.988 110.963 108.800 0.292 0.000 2.758 1314 G HA2 -0.233 3.574 3.960 -0.256 0.000 0.686 1314 G HA3 -0.233 3.574 3.960 -0.256 0.000 0.686 1314 G C -0.737 174.267 174.900 0.173 0.000 1.389 1314 G CA -0.278 45.017 45.100 0.325 0.000 0.845 1314 G HN 0.198 nan 8.290 nan 0.000 0.572 1315 Q N -0.615 119.296 119.800 0.185 0.000 2.391 1315 Q HA 0.681 4.867 4.340 -0.256 0.000 0.279 1315 Q C -0.831 175.216 176.000 0.079 0.000 1.028 1315 Q CA -1.326 54.541 55.803 0.107 0.000 0.836 1315 Q CB 1.831 30.644 28.738 0.125 0.000 1.414 1315 Q HN 0.632 nan 8.270 nan 0.000 0.397 1316 I N 3.791 124.378 120.570 0.028 0.000 2.371 1316 I HA 0.154 4.171 4.170 -0.256 0.000 0.290 1316 I C 1.069 177.162 176.117 -0.040 0.000 1.028 1316 I CA -0.348 60.945 61.300 -0.012 0.000 1.345 1316 I CB 0.824 38.807 38.000 -0.029 0.000 1.407 1316 I HN 0.884 nan 8.210 nan 0.000 0.501 1317 I N 2.750 123.262 120.570 -0.097 0.000 4.181 1317 I HA 0.353 4.370 4.170 -0.256 0.000 0.331 1317 I C 0.284 176.320 176.117 -0.135 0.000 1.312 1317 I CA 0.296 61.518 61.300 -0.130 0.000 1.146 1317 I CB 0.493 38.304 38.000 -0.314 0.000 1.074 1317 I HN 0.343 nan 8.210 nan 0.000 0.402 1318 M N 1.838 121.361 119.600 -0.128 0.000 2.324 1318 M HA 0.426 4.752 4.480 -0.256 0.000 0.288 1318 M C -1.996 174.238 176.300 -0.110 0.000 1.097 1318 M CA -0.403 54.814 55.300 -0.139 0.000 0.928 1318 M CB 2.632 35.194 32.600 -0.063 0.000 1.648 1318 M HN -0.015 nan 8.290 nan 0.000 0.460 1319 D N 2.829 123.104 120.400 -0.209 0.000 2.613 1319 D HA 0.317 4.804 4.640 -0.256 0.000 0.230 1319 D C -2.013 174.159 176.300 -0.214 0.000 1.365 1319 D CA -0.093 53.837 54.000 -0.116 0.000 0.976 1319 D CB 1.020 41.761 40.800 -0.099 0.000 1.415 1319 D HN 0.358 nan 8.370 nan 0.000 0.589 1320 Y N 2.862 123.160 120.300 -0.004 0.000 2.419 1320 Y HA 0.528 4.924 4.550 -0.257 0.000 0.328 1320 Y C -1.549 174.371 175.900 0.032 0.000 1.162 1320 Y CA -1.546 56.569 58.100 0.024 0.000 1.174 1320 Y CB 1.350 39.876 38.460 0.109 0.000 1.228 1320 Y HN 0.211 nan 8.280 nan 0.000 0.473 1321 P HA 0.064 nan 4.420 nan 0.000 0.278 1321 P C -0.610 176.762 177.300 0.120 0.000 1.258 1321 P CA -0.213 62.951 63.100 0.106 0.000 0.811 1321 P CB 0.938 32.674 31.700 0.060 0.000 1.063 1322 D N 0.822 121.276 120.400 0.090 0.000 2.699 1322 D HA -0.194 4.293 4.640 -0.256 0.000 0.239 1322 D C -0.161 176.193 176.300 0.090 0.000 1.136 1322 D CA 1.171 55.218 54.000 0.079 0.000 0.668 1322 D CB -1.590 39.244 40.800 0.056 0.000 1.060 1322 D HN 0.607 nan 8.370 nan 0.000 0.429 1323 K N -1.982 118.485 120.400 0.112 0.000 3.341 1323 K HA -0.244 3.922 4.320 -0.256 0.000 0.305 1323 K C -0.063 176.599 176.600 0.103 0.000 1.270 1323 K CA 0.950 57.300 56.287 0.105 0.000 0.897 1323 K CB -1.877 30.669 32.500 0.076 0.000 1.264 1323 K HN 0.397 nan 8.250 nan 0.000 0.468 1324 S N 0.791 116.571 115.700 0.134 0.000 2.528 1324 S HA 0.392 4.708 4.470 -0.256 0.000 0.277 1324 S C -0.171 174.540 174.600 0.185 0.000 1.297 1324 S CA -0.338 57.949 58.200 0.146 0.000 1.052 1324 S CB 1.043 64.354 63.200 0.185 0.000 0.917 1324 S HN 0.245 nan 8.310 nan 0.000 0.492 1325 S N 2.695 118.498 115.700 0.172 0.000 2.536 1325 S HA 0.617 4.934 4.470 -0.256 0.000 0.298 1325 S C -0.713 174.047 174.600 0.267 0.000 1.083 1325 S CA -0.792 57.531 58.200 0.206 0.000 0.995 1325 S CB 1.671 64.973 63.200 0.170 0.000 1.058 1325 S HN 0.824 nan 8.310 nan 0.000 0.488 1326 V N 1.696 121.756 119.914 0.243 0.000 2.435 1326 V HA 0.781 4.748 4.120 -0.256 0.000 0.290 1326 V C -0.348 175.829 176.094 0.138 0.000 1.030 1326 V CA -0.619 61.800 62.300 0.198 0.000 0.881 1326 V CB 0.913 32.843 31.823 0.179 0.000 0.983 1326 V HN 0.869 nan 8.190 nan 0.000 0.445 1327 I N 3.037 123.694 120.570 0.145 0.000 2.644 1327 I HA 0.619 4.635 4.170 -0.256 0.000 0.291 1327 I C -1.754 174.443 176.117 0.133 0.000 1.180 1327 I CA 0.086 61.469 61.300 0.139 0.000 1.040 1327 I CB 1.753 39.884 38.000 0.218 0.000 1.255 1327 I HN 0.891 nan 8.210 nan 0.000 0.422 1328 D N 4.308 124.766 120.400 0.097 0.000 4.370 1328 D HA -0.098 4.389 4.640 -0.256 0.000 0.238 1328 D C -0.458 175.887 176.300 0.074 0.000 1.104 1328 D CA 1.143 55.213 54.000 0.118 0.000 1.101 1328 D CB -0.561 40.363 40.800 0.206 0.000 0.749 1328 D HN 0.792 nan 8.370 nan 0.000 0.351 1329 T N -1.121 113.458 114.554 0.041 0.000 2.943 1329 T HA 0.790 4.986 4.350 -0.256 0.000 0.284 1329 T C 0.215 174.932 174.700 0.029 0.000 1.015 1329 T CA -0.527 61.579 62.100 0.009 0.000 1.042 1329 T CB 2.771 71.618 68.868 -0.036 0.000 1.055 1329 T HN 0.301 nan 8.240 nan 0.000 0.500 1330 T N 1.015 115.577 114.554 0.013 0.000 2.916 1330 T HA 0.614 4.811 4.350 -0.256 0.000 0.305 1330 T C -1.571 173.138 174.700 0.015 0.000 1.119 1330 T CA -0.784 61.333 62.100 0.030 0.000 1.008 1330 T CB 0.912 69.798 68.868 0.030 0.000 1.129 1330 T HN 0.660 nan 8.240 nan 0.000 0.480 1331 L N 4.286 125.514 121.223 0.009 0.000 2.362 1331 L HA 0.870 5.056 4.340 -0.256 0.000 0.271 1331 L C -0.901 175.786 176.870 -0.305 0.000 1.002 1331 L CA -0.977 53.803 54.840 -0.100 0.000 0.818 1331 L CB 1.981 43.999 42.059 -0.069 0.000 1.298 1331 L HN 0.628 nan 8.230 nan 0.000 0.420 1332 I N 1.597 121.940 120.570 -0.378 0.000 3.066 1332 I HA 0.392 4.408 4.170 -0.256 0.000 0.307 1332 I C -1.587 174.413 176.117 -0.195 0.000 1.366 1332 I CA -0.147 60.900 61.300 -0.422 0.000 0.972 1332 I CB 2.461 40.481 38.000 0.033 0.000 1.307 1332 I HN 0.689 nan 8.210 nan 0.000 0.470 1333 Q N 2.675 122.489 119.800 0.025 0.000 2.397 1333 Q HA 0.418 4.605 4.340 -0.256 0.000 0.275 1333 Q C -1.809 174.382 176.000 0.318 0.000 1.090 1333 Q CA -0.754 55.192 55.803 0.239 0.000 0.809 1333 Q CB 1.771 30.707 28.738 0.330 0.000 1.362 1333 Q HN 0.616 nan 8.270 nan 0.000 0.431 1334 D N 2.012 122.609 120.400 0.328 0.000 2.347 1334 D HA 0.046 4.532 4.640 -0.256 0.000 0.235 1334 D C 0.237 176.637 176.300 0.167 0.000 1.149 1334 D CA -0.001 54.154 54.000 0.259 0.000 0.850 1334 D CB 1.266 42.251 40.800 0.308 0.000 1.061 1334 D HN 0.612 nan 8.370 nan 0.000 0.487 1335 D N 2.929 123.417 120.400 0.147 0.000 2.178 1335 D HA -0.200 4.286 4.640 -0.256 0.000 0.201 1335 D C 1.391 177.736 176.300 0.074 0.000 0.980 1335 D CA 0.862 54.927 54.000 0.109 0.000 0.842 1335 D CB 0.394 41.252 40.800 0.097 0.000 0.948 1335 D HN 0.606 nan 8.370 nan 0.000 0.472 1336 E N -0.442 119.800 120.200 0.069 0.000 2.051 1336 E HA -0.135 4.061 4.350 -0.256 0.000 0.192 1336 E C 1.842 178.464 176.600 0.037 0.000 0.991 1336 E CA 2.516 58.943 56.400 0.045 0.000 0.799 1336 E CB -0.326 29.398 29.700 0.040 0.000 0.748 1336 E HN 0.321 nan 8.360 nan 0.000 0.449 1337 T N -4.379 110.201 114.554 0.044 0.000 3.014 1337 T HA 0.314 4.510 4.350 -0.256 0.000 0.250 1337 T C 1.549 176.254 174.700 0.008 0.000 1.060 1337 T CA 0.419 62.532 62.100 0.021 0.000 1.040 1337 T CB 0.332 69.211 68.868 0.018 0.000 0.971 1337 T HN 0.401 nan 8.240 nan 0.000 0.497 1338 G N 1.962 110.777 108.800 0.026 0.000 2.148 1338 G HA2 -0.315 3.492 3.960 -0.256 0.000 0.254 1338 G HA3 -0.315 3.492 3.960 -0.256 0.000 0.254 1338 G C 0.096 174.979 174.900 -0.028 0.000 0.981 1338 G CA 0.203 45.312 45.100 0.015 0.000 0.670 1338 G HN 0.862 nan 8.290 nan 0.000 0.528 1339 R N 0.176 120.635 120.500 -0.067 0.000 2.298 1339 R HA 0.590 4.777 4.340 -0.256 0.000 0.310 1339 R C 0.295 176.413 176.300 -0.303 0.000 1.068 1339 R CA -0.570 55.391 56.100 -0.233 0.000 0.957 1339 R CB 0.178 30.263 30.300 -0.358 0.000 1.003 1339 R HN 0.266 nan 8.270 nan 0.000 0.454 1340 I N 5.257 125.648 120.570 -0.298 0.000 2.353 1340 I HA 0.267 4.283 4.170 -0.256 0.000 0.293 1340 I C -0.645 175.348 176.117 -0.206 0.000 0.992 1340 I CA -0.529 60.679 61.300 -0.154 0.000 1.268 1340 I CB 1.044 39.020 38.000 -0.039 0.000 1.387 1340 I HN 0.474 nan 8.210 nan 0.000 0.478 1341 F N 6.206 126.283 119.950 0.212 0.000 2.480 1341 F HA 0.606 4.979 4.527 -0.257 0.000 0.329 1341 F C -0.215 175.706 175.800 0.202 0.000 1.091 1341 F CA -0.704 57.457 58.000 0.269 0.000 0.972 1341 F CB 1.586 40.721 39.000 0.225 0.000 1.150 1341 F HN 0.245 nan 8.300 nan 0.000 0.467 1342 L N 4.545 125.985 121.223 0.361 0.000 2.381 1342 L HA 0.697 4.884 4.340 -0.256 0.000 0.274 1342 L C -1.783 175.119 176.870 0.054 0.000 0.988 1342 L CA -0.643 54.254 54.840 0.094 0.000 0.824 1342 L CB 1.216 43.164 42.059 -0.185 0.000 1.263 1342 L HN 0.534 nan 8.230 nan 0.000 0.410 1343 L N 5.451 126.670 121.223 -0.008 0.000 2.333 1343 L HA 0.818 5.005 4.340 -0.256 0.000 0.269 1343 L C -0.494 176.340 176.870 -0.060 0.000 1.010 1343 L CA -0.639 54.160 54.840 -0.069 0.000 0.818 1343 L CB 1.965 43.919 42.059 -0.175 0.000 1.306 1343 L HN 0.412 nan 8.230 nan 0.000 0.430 1344 V N -0.442 119.435 119.914 -0.061 0.000 3.178 1344 V HA 0.576 4.542 4.120 -0.256 0.000 0.302 1344 V C -0.884 175.185 176.094 -0.042 0.000 1.262 1344 V CA -0.338 61.945 62.300 -0.028 0.000 1.030 1344 V CB 2.957 34.774 31.823 -0.011 0.000 1.074 1344 V HN 0.803 nan 8.190 nan 0.000 0.438 1345 T N 4.296 118.834 114.554 -0.026 0.000 2.845 1345 T HA 0.446 4.643 4.350 -0.256 0.000 0.288 1345 T C -0.714 173.937 174.700 -0.080 0.000 0.980 1345 T CA 0.013 62.044 62.100 -0.116 0.000 1.071 1345 T CB 0.173 68.982 68.868 -0.098 0.000 0.941 1345 T HN 0.741 nan 8.240 nan 0.000 0.487 1346 H N 2.223 121.106 119.070 -0.313 0.000 2.538 1346 H HA 0.528 4.931 4.556 -0.256 0.000 0.353 1346 H C -1.671 173.421 175.328 -0.394 0.000 1.109 1346 H CA -0.924 54.963 56.048 -0.268 0.000 1.192 1346 H CB 0.883 30.498 29.762 -0.246 0.000 1.555 1346 H HN 0.461 nan 8.280 nan 0.000 0.518 1347 F N 4.255 123.881 119.950 -0.540 0.000 2.540 1347 F HA 0.336 4.709 4.527 -0.257 0.000 0.317 1347 F C -2.152 173.326 175.800 -0.536 0.000 1.104 1347 F CA -2.237 55.537 58.000 -0.377 0.000 0.913 1347 F CB 1.836 40.804 39.000 -0.053 0.000 1.170 1347 F HN 0.464 nan 8.300 nan 0.000 0.450 1348 P HA -0.007 nan 4.420 nan 0.000 0.270 1348 P C -0.274 177.143 177.300 0.195 0.000 1.227 1348 P CA -0.198 62.920 63.100 0.030 0.000 0.788 1348 P CB 0.575 32.337 31.700 0.104 0.000 0.926 1349 S N 1.352 117.143 115.700 0.152 0.000 2.558 1349 S HA -0.025 4.291 4.470 -0.256 0.000 0.293 1349 S C 0.528 175.190 174.600 0.102 0.000 1.292 1349 S CA 0.617 58.886 58.200 0.114 0.000 1.063 1349 S CB -0.882 62.369 63.200 0.085 0.000 0.831 1349 S HN 0.499 nan 8.310 nan 0.000 0.499 1350 K N 1.111 121.473 120.400 -0.064 0.000 3.556 1350 K HA -0.172 3.995 4.320 -0.256 0.000 0.272 1350 K C -0.941 175.275 176.600 -0.640 0.000 1.243 1350 K CA 0.993 57.080 56.287 -0.333 0.000 0.981 1350 K CB -1.546 30.704 32.500 -0.415 0.000 1.319 1350 K HN 0.647 nan 8.250 nan 0.000 0.505 1351 Y N 0.191 120.461 120.300 -0.051 0.000 2.487 1351 Y HA 0.675 5.072 4.550 -0.256 0.000 0.337 1351 Y C 1.014 176.621 175.900 -0.487 0.000 1.076 1351 Y CA 0.069 58.101 58.100 -0.114 0.000 1.115 1351 Y CB 2.490 40.995 38.460 0.074 0.000 1.235 1351 Y HN 0.125 nan 8.280 nan 0.000 0.468 1352 G N 0.263 108.709 108.800 -0.590 0.000 2.634 1352 G HA2 0.143 3.950 3.960 -0.256 0.000 0.309 1352 G HA3 0.143 3.950 3.960 -0.256 0.000 0.309 1352 G C -0.452 174.036 174.900 -0.688 0.000 1.299 1352 G CA -0.702 43.617 45.100 -1.301 0.000 0.798 1352 G HN 0.560 nan 8.290 nan 0.000 0.490 1353 F N -0.351 119.234 119.950 -0.608 0.000 2.120 1353 F HA -0.075 4.301 4.527 -0.253 0.000 0.300 1353 F C 1.961 177.479 175.800 -0.469 0.000 1.095 1353 F CA 2.224 59.880 58.000 -0.573 0.000 1.249 1353 F CB -0.007 38.410 39.000 -0.971 0.000 0.995 1353 F HN 0.427 nan 8.300 nan 0.000 0.480 1354 W N 0.233 121.507 121.300 -0.044 0.000 2.658 1354 W HA 0.001 4.506 4.660 -0.258 0.000 0.263 1354 W C 1.661 178.132 176.519 -0.080 0.000 1.274 1354 W CA 0.653 57.963 57.345 -0.058 0.000 1.343 1354 W CB -0.326 29.176 29.460 0.070 0.000 1.106 1354 W HN 0.162 nan 8.180 nan 0.000 0.615 1355 N N 0.246 119.026 118.700 0.133 0.000 2.234 1355 N HA 0.202 4.789 4.740 -0.256 0.000 0.227 1355 N C 0.022 175.652 175.510 0.201 0.000 1.151 1355 N CA -0.032 53.104 53.050 0.142 0.000 0.865 1355 N CB -0.674 37.870 38.487 0.094 0.000 1.066 1355 N HN -0.145 nan 8.380 nan 0.000 0.515 1356 A N 0.372 123.274 122.820 0.137 0.000 2.511 1356 A HA 0.543 4.710 4.320 -0.256 0.000 0.242 1356 A C 0.959 178.572 177.584 0.048 0.000 1.069 1356 A CA 0.149 52.278 52.037 0.154 0.000 0.763 1356 A CB -0.353 18.755 19.000 0.180 0.000 1.001 1356 A HN 0.395 nan 8.150 nan 0.000 0.498 1357 G N 0.755 109.538 108.800 -0.028 0.000 2.599 1357 G HA2 0.467 4.274 3.960 -0.256 0.000 0.264 1357 G HA3 0.467 4.274 3.960 -0.256 0.000 0.264 1357 G C 0.002 174.854 174.900 -0.080 0.000 1.200 1357 G CA -0.864 44.200 45.100 -0.059 0.000 0.896 1357 G HN 0.770 nan 8.290 nan 0.000 0.536 1358 L N 1.017 122.207 121.223 -0.055 0.000 2.416 1358 L HA 0.452 4.639 4.340 -0.256 0.000 0.272 1358 L C 1.217 178.036 176.870 -0.085 0.000 1.161 1358 L CA 1.337 56.145 54.840 -0.053 0.000 0.845 1358 L CB 0.319 42.374 42.059 -0.007 0.000 1.119 1358 L HN 1.126 nan 8.230 nan 0.000 0.464 1359 G N 1.761 110.487 108.800 -0.124 0.000 2.685 1359 G HA2 -0.246 3.560 3.960 -0.256 0.000 0.387 1359 G HA3 -0.246 3.560 3.960 -0.256 0.000 0.387 1359 G C 0.447 175.260 174.900 -0.145 0.000 1.324 1359 G CA -0.105 44.922 45.100 -0.123 0.000 0.878 1359 G HN 0.804 nan 8.290 nan 0.000 0.527 1360 S N -1.046 114.620 115.700 -0.058 0.000 2.461 1360 S HA 0.365 4.682 4.470 -0.256 0.000 0.228 1360 S C 2.463 177.188 174.600 0.209 0.000 1.005 1360 S CA 1.563 59.781 58.200 0.030 0.000 0.942 1360 S CB 0.128 63.403 63.200 0.124 0.000 0.776 1360 S HN 2.908 nan 8.310 nan 0.000 0.514 1361 G N 0.149 109.051 108.800 0.170 0.000 2.179 1361 G HA2 -0.236 3.571 3.960 -0.256 0.000 0.260 1361 G HA3 -0.236 3.571 3.960 -0.256 0.000 0.260 1361 G C -0.110 174.893 174.900 0.171 0.000 0.977 1361 G CA 0.403 45.639 45.100 0.227 0.000 0.641 1361 G HN 0.497 nan 8.290 nan 0.000 0.533 1362 F N 0.048 120.083 119.950 0.141 0.000 2.541 1362 F HA 0.791 5.164 4.527 -0.256 0.000 0.331 1362 F C 0.462 176.311 175.800 0.082 0.000 1.057 1362 F CA -0.884 57.185 58.000 0.115 0.000 0.975 1362 F CB 1.972 41.038 39.000 0.109 0.000 1.246 1362 F HN 0.046 nan 8.300 nan 0.000 0.484 1363 K N 1.290 121.844 120.400 0.258 0.000 2.422 1363 K HA 0.285 4.452 4.320 -0.256 0.000 0.251 1363 K C -1.248 175.429 176.600 0.129 0.000 0.933 1363 K CA -0.807 55.578 56.287 0.163 0.000 0.798 1363 K CB 1.497 34.073 32.500 0.127 0.000 1.238 1363 K HN 0.602 nan 8.250 nan 0.000 0.428 1364 N N 4.648 123.393 118.700 0.075 0.000 2.430 1364 N HA 0.221 4.808 4.740 -0.256 0.000 0.265 1364 N C -1.019 174.525 175.510 0.056 0.000 1.100 1364 N CA 0.057 53.118 53.050 0.019 0.000 0.961 1364 N CB 0.447 38.937 38.487 0.005 0.000 1.075 1364 N HN 0.516 nan 8.380 nan 0.000 0.478 1365 I N 2.628 123.249 120.570 0.085 0.000 2.439 1365 I HA 0.100 4.117 4.170 -0.256 0.000 0.285 1365 I C -0.296 175.881 176.117 0.100 0.000 1.021 1365 I CA -0.616 60.764 61.300 0.134 0.000 1.091 1365 I CB 1.429 39.565 38.000 0.226 0.000 1.242 1365 I HN 0.421 nan 8.210 nan 0.000 0.439 1366 D N 5.222 125.650 120.400 0.046 0.000 2.751 1366 D HA -0.197 4.290 4.640 -0.256 0.000 0.233 1366 D C 1.039 177.340 176.300 0.002 0.000 1.149 1366 D CA 1.740 55.756 54.000 0.026 0.000 0.682 1366 D CB -1.007 39.812 40.800 0.032 0.000 1.068 1366 D HN 1.158 nan 8.370 nan 0.000 0.429 1367 G N -0.680 108.106 108.800 -0.024 0.000 2.141 1367 G HA2 -0.325 3.481 3.960 -0.256 0.000 0.231 1367 G HA3 -0.325 3.481 3.960 -0.256 0.000 0.231 1367 G C 0.190 175.024 174.900 -0.111 0.000 0.984 1367 G CA 0.478 45.548 45.100 -0.048 0.000 0.660 1367 G HN 0.634 nan 8.290 nan 0.000 0.525 1368 K N 0.367 120.637 120.400 -0.217 0.000 2.422 1368 K HA 0.530 4.696 4.320 -0.256 0.000 0.251 1368 K C -0.678 175.528 176.600 -0.657 0.000 0.933 1368 K CA -0.877 55.137 56.287 -0.456 0.000 0.798 1368 K CB 1.223 33.358 32.500 -0.608 0.000 1.238 1368 K HN 0.001 nan 8.250 nan 0.000 0.428 1369 E N 2.766 122.618 120.200 -0.580 0.000 2.229 1369 E HA 0.169 4.366 4.350 -0.256 0.000 0.283 1369 E C -1.117 175.233 176.600 -0.417 0.000 1.030 1369 E CA -0.131 56.037 56.400 -0.388 0.000 0.836 1369 E CB 0.771 30.296 29.700 -0.291 0.000 1.068 1369 E HN 0.371 nan 8.360 nan 0.000 0.401 1370 Y N 0.774 121.169 120.300 0.157 0.000 2.462 1370 Y HA 0.244 4.640 4.550 -0.256 0.000 0.346 1370 Y C 0.165 176.022 175.900 -0.072 0.000 0.976 1370 Y CA -1.128 57.021 58.100 0.082 0.000 1.044 1370 Y CB 1.251 39.697 38.460 -0.024 0.000 1.230 1370 Y HN 0.376 nan 8.280 nan 0.000 0.455 1371 L N 2.918 123.983 121.223 -0.263 0.000 2.453 1371 L HA 0.265 4.452 4.340 -0.256 0.000 0.272 1371 L C -0.516 176.183 176.870 -0.284 0.000 1.182 1371 L CA 0.152 54.551 54.840 -0.735 0.000 0.858 1371 L CB -0.029 41.620 42.059 -0.684 0.000 1.120 1371 L HN 0.780 nan 8.230 nan 0.000 0.474 1372 C N 5.475 124.631 119.300 -0.239 0.000 2.405 1372 C HA 0.584 4.891 4.460 -0.256 0.000 0.365 1372 C C 0.226 175.048 174.990 -0.279 0.000 1.233 1372 C CA -0.799 58.093 59.018 -0.210 0.000 2.230 1372 C CB 0.273 27.933 27.740 -0.133 0.000 2.443 1372 C HN 0.707 nan 8.230 nan 0.000 0.556 1373 L N 1.709 122.690 121.223 -0.403 0.000 2.333 1373 L HA 0.612 4.799 4.340 -0.256 0.000 0.263 1373 L C -1.276 175.237 176.870 -0.596 0.000 1.014 1373 L CA -0.657 53.971 54.840 -0.354 0.000 0.820 1373 L CB 1.486 43.407 42.059 -0.230 0.000 1.352 1373 L HN 0.597 nan 8.230 nan 0.000 0.421 1374 Y N -0.470 119.859 120.300 0.049 0.000 2.462 1374 Y HA 0.346 4.742 4.550 -0.256 0.000 0.346 1374 Y C -0.202 175.717 175.900 0.032 0.000 0.976 1374 Y CA -1.125 57.043 58.100 0.114 0.000 1.044 1374 Y CB 1.765 40.264 38.460 0.064 0.000 1.230 1374 Y HN 0.607 nan 8.280 nan 0.000 0.455 1375 D N -0.858 119.683 120.400 0.236 0.000 2.506 1375 D HA 0.147 4.634 4.640 -0.256 0.000 0.272 1375 D C 1.029 177.404 176.300 0.124 0.000 1.214 1375 D CA -0.355 53.705 54.000 0.100 0.000 1.067 1375 D CB 0.623 41.499 40.800 0.127 0.000 1.117 1375 D HN 0.419 nan 8.370 nan 0.000 0.578 1376 S N -1.150 114.594 115.700 0.074 0.000 2.447 1376 S HA -0.157 4.159 4.470 -0.256 0.000 0.233 1376 S C 1.599 176.245 174.600 0.077 0.000 1.006 1376 S CA 0.993 59.231 58.200 0.064 0.000 0.957 1376 S CB -0.869 62.355 63.200 0.040 0.000 0.773 1376 S HN 0.555 nan 8.310 nan 0.000 0.507 1377 S N -0.042 115.718 115.700 0.100 0.000 2.548 1377 S HA 0.501 4.818 4.470 -0.256 0.000 0.215 1377 S C 1.573 176.237 174.600 0.106 0.000 0.976 1377 S CA 0.309 58.564 58.200 0.090 0.000 0.908 1377 S CB -0.283 62.970 63.200 0.088 0.000 0.781 1377 S HN 1.367 nan 8.310 nan 0.000 0.519 1378 G N 1.216 110.107 108.800 0.152 0.000 2.176 1378 G HA2 -0.252 3.554 3.960 -0.256 0.000 0.253 1378 G HA3 -0.252 3.554 3.960 -0.256 0.000 0.253 1378 G C -0.012 175.042 174.900 0.258 0.000 0.979 1378 G CA 0.005 45.218 45.100 0.187 0.000 0.641 1378 G HN 0.536 nan 8.290 nan 0.000 0.530 1379 K N 0.752 121.283 120.400 0.219 0.000 2.436 1379 K HA 0.279 4.446 4.320 -0.256 0.000 0.275 1379 K C 0.341 177.033 176.600 0.154 0.000 0.999 1379 K CA 0.166 56.530 56.287 0.128 0.000 0.980 1379 K CB 0.634 33.156 32.500 0.037 0.000 0.919 1379 K HN 0.444 nan 8.250 nan 0.000 0.484 1380 E N 2.735 122.895 120.200 -0.067 0.000 2.175 1380 E HA 0.262 4.458 4.350 -0.256 0.000 0.278 1380 E C -1.241 175.133 176.600 -0.377 0.000 0.969 1380 E CA -0.544 55.733 56.400 -0.206 0.000 0.796 1380 E CB 0.614 30.267 29.700 -0.079 0.000 1.104 1380 E HN 0.214 nan 8.360 nan 0.000 0.395 1381 F N 0.972 120.744 119.950 -0.297 0.000 2.598 1381 F HA 0.449 4.822 4.527 -0.256 0.000 0.327 1381 F C 0.354 176.041 175.800 -0.189 0.000 1.057 1381 F CA -0.604 57.291 58.000 -0.174 0.000 0.957 1381 F CB 2.168 41.075 39.000 -0.156 0.000 1.278 1381 F HN 0.341 nan 8.300 nan 0.000 0.484 1382 T N -1.524 113.077 114.554 0.079 0.000 2.893 1382 T HA 0.727 4.924 4.350 -0.256 0.000 0.291 1382 T C -1.233 173.472 174.700 0.008 0.000 1.028 1382 T CA -0.855 61.240 62.100 -0.008 0.000 0.995 1382 T CB 1.499 70.326 68.868 -0.069 0.000 1.051 1382 T HN 0.330 nan 8.240 nan 0.000 0.470 1383 V N 3.010 122.905 119.914 -0.031 0.000 2.333 1383 V HA 0.456 4.423 4.120 -0.256 0.000 0.274 1383 V C 0.194 176.249 176.094 -0.066 0.000 1.028 1383 V CA -0.736 61.561 62.300 -0.004 0.000 0.851 1383 V CB 0.328 32.148 31.823 -0.005 0.000 1.000 1383 V HN 0.792 nan 8.190 nan 0.000 0.456 1384 R N 3.713 124.135 120.500 -0.130 0.000 2.320 1384 R HA 0.486 4.673 4.340 -0.256 0.000 0.319 1384 R C -0.343 175.965 176.300 0.013 0.000 0.969 1384 R CA -0.773 55.131 56.100 -0.326 0.000 0.857 1384 R CB 1.063 30.843 30.300 -0.868 0.000 1.160 1384 R HN 0.697 nan 8.270 nan 0.000 0.491 1385 E N 1.905 122.170 120.200 0.109 0.000 2.228 1385 E HA -0.292 3.904 4.350 -0.256 0.000 0.213 1385 E C -0.645 176.009 176.600 0.091 0.000 1.282 1385 E CA 0.975 57.438 56.400 0.105 0.000 0.707 1385 E CB -1.547 28.209 29.700 0.093 0.000 1.150 1385 E HN 0.926 nan 8.360 nan 0.000 0.362 1386 N N -2.910 115.845 118.700 0.092 0.000 2.828 1386 N HA -0.208 4.379 4.740 -0.256 0.000 0.248 1386 N C -0.891 174.671 175.510 0.086 0.000 1.044 1386 N CA 1.022 54.123 53.050 0.085 0.000 0.851 1386 N CB -0.484 38.047 38.487 0.074 0.000 1.136 1386 N HN 0.217 nan 8.380 nan 0.000 0.572 1387 V N 0.873 120.851 119.914 0.106 0.000 2.459 1387 V HA 0.461 4.428 4.120 -0.256 0.000 0.295 1387 V C 0.407 176.578 176.094 0.128 0.000 1.029 1387 V CA -0.858 61.497 62.300 0.092 0.000 0.874 1387 V CB 1.988 33.870 31.823 0.099 0.000 0.985 1387 V HN -0.057 nan 8.190 nan 0.000 0.438 1388 V N 5.603 125.551 119.914 0.057 0.000 2.461 1388 V HA 0.360 4.326 4.120 -0.256 0.000 0.275 1388 V C -0.686 175.434 176.094 0.044 0.000 1.047 1388 V CA -0.382 61.979 62.300 0.102 0.000 0.955 1388 V CB 0.661 32.530 31.823 0.077 0.000 0.988 1388 V HN 0.693 nan 8.190 nan 0.000 0.471 1389 Y N 2.804 123.141 120.300 0.061 0.000 2.409 1389 Y HA 0.468 4.864 4.550 -0.256 0.000 0.339 1389 Y C 0.472 176.439 175.900 0.112 0.000 1.033 1389 Y CA -1.389 56.742 58.100 0.051 0.000 1.094 1389 Y CB 1.299 39.718 38.460 -0.068 0.000 1.210 1389 Y HN 0.820 nan 8.280 nan 0.000 0.456 1390 D N 0.642 121.140 120.400 0.165 0.000 2.447 1390 D HA 0.077 4.564 4.640 -0.256 0.000 0.265 1390 D C 0.749 176.922 176.300 -0.212 0.000 1.250 1390 D CA -0.559 53.332 54.000 -0.183 0.000 1.046 1390 D CB 0.599 41.305 40.800 -0.157 0.000 1.095 1390 D HN 0.623 nan 8.370 nan 0.000 0.555 1391 K N -1.052 119.128 120.400 -0.368 0.000 2.362 1391 K HA -0.099 4.067 4.320 -0.256 0.000 0.200 1391 K C 0.026 176.562 176.600 -0.107 0.000 1.046 1391 K CA 1.015 57.169 56.287 -0.222 0.000 0.952 1391 K CB -0.140 32.220 32.500 -0.233 0.000 0.753 1391 K HN 0.262 nan 8.250 nan 0.000 0.466 1392 D N 0.939 121.291 120.400 -0.081 0.000 2.342 1392 D HA 0.072 4.559 4.640 -0.256 0.000 0.221 1392 D C -0.433 175.874 176.300 0.012 0.000 1.101 1392 D CA 0.102 54.084 54.000 -0.030 0.000 0.837 1392 D CB 0.630 41.414 40.800 -0.026 0.000 0.938 1392 D HN 0.115 nan 8.370 nan 0.000 0.508 1393 S N 0.710 116.435 115.700 0.041 0.000 3.586 1393 S HA -0.153 4.163 4.470 -0.256 0.000 0.309 1393 S C 0.120 174.866 174.600 0.244 0.000 1.195 1393 S CA 0.102 58.385 58.200 0.138 0.000 0.895 1393 S CB -1.401 61.822 63.200 0.038 0.000 0.983 1393 S HN 0.378 nan 8.310 nan 0.000 0.563 1394 N N 2.139 120.922 118.700 0.138 0.000 2.499 1394 N HA 0.213 4.800 4.740 -0.256 0.000 0.281 1394 N C 0.100 175.564 175.510 -0.077 0.000 1.098 1394 N CA -0.144 52.941 53.050 0.058 0.000 0.979 1394 N CB 0.563 39.059 38.487 0.015 0.000 1.121 1394 N HN 0.389 nan 8.380 nan 0.000 0.466 1395 K N 0.804 121.034 120.400 -0.284 0.000 2.448 1395 K HA 0.040 4.207 4.320 -0.256 0.000 0.278 1395 K C 0.982 177.430 176.600 -0.254 0.000 1.009 1395 K CA 0.153 56.087 56.287 -0.588 0.000 0.995 1395 K CB 0.440 32.649 32.500 -0.484 0.000 0.917 1395 K HN 0.624 nan 8.250 nan 0.000 0.481 1396 T N -1.006 113.431 114.554 -0.195 0.000 2.888 1396 T HA 0.158 4.355 4.350 -0.256 0.000 0.283 1396 T C 0.851 175.481 174.700 -0.115 0.000 1.013 1396 T CA -0.696 61.376 62.100 -0.047 0.000 0.938 1396 T CB 0.822 69.773 68.868 0.137 0.000 1.298 1396 T HN 0.545 nan 8.240 nan 0.000 0.580 1397 E N -0.653 119.436 120.200 -0.185 0.000 2.489 1397 E HA 0.114 4.311 4.350 -0.256 0.000 0.193 1397 E C -0.719 175.674 176.600 -0.345 0.000 1.057 1397 E CA 0.034 56.254 56.400 -0.299 0.000 0.866 1397 E CB 0.013 29.477 29.700 -0.392 0.000 0.916 1397 E HN 0.490 nan 8.360 nan 0.000 0.500 1398 Y N 0.453 120.716 120.300 -0.062 0.000 2.387 1398 Y HA 0.264 4.661 4.550 -0.256 0.000 0.330 1398 Y C 0.825 176.717 175.900 -0.013 0.000 1.133 1398 Y CA -0.647 57.431 58.100 -0.038 0.000 1.152 1398 Y CB 1.634 40.039 38.460 -0.092 0.000 1.215 1398 Y HN -0.185 nan 8.280 nan 0.000 0.466 1399 T N -2.113 112.589 114.554 0.247 0.000 2.865 1399 T HA 0.805 5.002 4.350 -0.256 0.000 0.294 1399 T C -0.368 174.513 174.700 0.302 0.000 1.119 1399 T CA -0.865 61.354 62.100 0.198 0.000 1.007 1399 T CB 1.747 70.685 68.868 0.117 0.000 1.225 1399 T HN 0.663 nan 8.240 nan 0.000 0.515 1400 T N -0.913 113.790 114.554 0.248 0.000 2.888 1400 T HA 0.784 4.981 4.350 -0.256 0.000 0.288 1400 T C -0.786 174.093 174.700 0.298 0.000 1.063 1400 T CA -0.878 61.380 62.100 0.264 0.000 1.010 1400 T CB 1.630 70.562 68.868 0.105 0.000 1.214 1400 T HN 1.022 nan 8.240 nan 0.000 0.533 1401 N N -0.608 118.270 118.700 0.298 0.000 2.966 1401 N HA 0.607 5.194 4.740 -0.256 0.000 0.314 1401 N C 1.148 176.730 175.510 0.119 0.000 1.397 1401 N CA -0.550 52.620 53.050 0.201 0.000 0.776 1401 N CB 0.596 39.232 38.487 0.248 0.000 1.576 1401 N HN 0.787 nan 8.380 nan 0.000 0.592 1402 A N -0.457 122.416 122.820 0.089 0.000 2.070 1402 A HA 0.046 4.212 4.320 -0.256 0.000 0.220 1402 A C 1.693 179.308 177.584 0.050 0.000 1.159 1402 A CA 0.915 52.995 52.037 0.072 0.000 0.656 1402 A CB -0.963 18.076 19.000 0.066 0.000 0.800 1402 A HN 0.578 nan 8.150 nan 0.000 0.453 1403 L N -1.506 119.728 121.223 0.019 0.000 2.591 1403 L HA 0.195 4.381 4.340 -0.256 0.000 0.228 1403 L C 1.702 178.609 176.870 0.061 0.000 1.133 1403 L CA 0.562 55.370 54.840 -0.053 0.000 0.880 1403 L CB -0.034 41.913 42.059 -0.186 0.000 1.033 1403 L HN 0.565 nan 8.230 nan 0.000 0.450 1404 G N -0.643 108.199 108.800 0.070 0.000 2.176 1404 G HA2 -0.235 3.572 3.960 -0.256 0.000 0.253 1404 G HA3 -0.235 3.572 3.960 -0.256 0.000 0.253 1404 G C -0.030 174.859 174.900 -0.018 0.000 0.979 1404 G CA -0.133 44.998 45.100 0.052 0.000 0.641 1404 G HN 0.319 nan 8.290 nan 0.000 0.530 1405 D N -0.091 120.274 120.400 -0.059 0.000 2.472 1405 D HA 0.371 4.858 4.640 -0.256 0.000 0.237 1405 D C 0.344 176.412 176.300 -0.387 0.000 1.141 1405 D CA 0.251 54.084 54.000 -0.278 0.000 0.875 1405 D CB 1.512 42.084 40.800 -0.379 0.000 1.192 1405 D HN 0.286 nan 8.370 nan 0.000 0.450 1406 L N 3.117 124.039 121.223 -0.502 0.000 2.325 1406 L HA 0.424 4.611 4.340 -0.256 0.000 0.281 1406 L C -1.508 175.135 176.870 -0.377 0.000 1.004 1406 L CA -0.473 54.192 54.840 -0.292 0.000 0.823 1406 L CB 0.626 42.572 42.059 -0.189 0.000 1.236 1406 L HN 0.139 nan 8.230 nan 0.000 0.415 1407 F N 3.995 124.000 119.950 0.092 0.000 2.469 1407 F HA 0.516 4.889 4.527 -0.256 0.000 0.332 1407 F C 0.171 176.026 175.800 0.091 0.000 1.103 1407 F CA -0.637 57.406 58.000 0.070 0.000 0.979 1407 F CB 1.636 40.652 39.000 0.027 0.000 1.137 1407 F HN 0.337 nan 8.300 nan 0.000 0.463 1408 K N 3.290 123.788 120.400 0.163 0.000 2.293 1408 K HA 0.254 4.420 4.320 -0.256 0.000 0.267 1408 K C -0.176 176.393 176.600 -0.052 0.000 1.010 1408 K CA -0.374 55.863 56.287 -0.082 0.000 0.875 1408 K CB 0.345 32.755 32.500 -0.149 0.000 1.106 1408 K HN 0.728 nan 8.250 nan 0.000 0.450 1409 N N 3.361 122.004 118.700 -0.096 0.000 2.716 1409 N HA -0.226 4.361 4.740 -0.256 0.000 0.250 1409 N C 0.533 176.035 175.510 -0.013 0.000 1.033 1409 N CA 1.449 54.460 53.050 -0.064 0.000 0.727 1409 N CB -1.255 37.184 38.487 -0.080 0.000 0.950 1409 N HN 1.104 nan 8.380 nan 0.000 0.541 1410 G N -2.443 106.375 108.800 0.031 0.000 2.176 1410 G HA2 -0.312 3.495 3.960 -0.256 0.000 0.253 1410 G HA3 -0.312 3.495 3.960 -0.256 0.000 0.253 1410 G C 0.147 175.128 174.900 0.136 0.000 0.979 1410 G CA 0.718 45.824 45.100 0.009 0.000 0.641 1410 G HN 0.513 nan 8.290 nan 0.000 0.530 1411 T N 1.157 115.824 114.554 0.189 0.000 2.771 1411 T HA 0.494 4.690 4.350 -0.256 0.000 0.281 1411 T C 0.196 175.036 174.700 0.234 0.000 0.982 1411 T CA -0.385 61.830 62.100 0.192 0.000 0.978 1411 T CB 1.852 70.768 68.868 0.080 0.000 0.930 1411 T HN 0.417 nan 8.240 nan 0.000 0.447 1412 K N 3.124 123.651 120.400 0.212 0.000 2.416 1412 K HA 0.171 4.337 4.320 -0.256 0.000 0.283 1412 K C 0.807 177.352 176.600 -0.092 0.000 1.037 1412 K CA -0.035 56.171 56.287 -0.136 0.000 0.995 1412 K CB 0.190 32.565 32.500 -0.209 0.000 0.938 1412 K HN 0.686 nan 8.250 nan 0.000 0.475 1413 I N -0.195 120.301 120.570 -0.123 0.000 4.312 1413 I HA 0.381 4.397 4.170 -0.256 0.000 0.324 1413 I C 0.316 176.386 176.117 -0.079 0.000 1.298 1413 I CA -0.171 61.096 61.300 -0.055 0.000 1.231 1413 I CB 0.489 38.497 38.000 0.014 0.000 1.152 1413 I HN 0.493 nan 8.210 nan 0.000 0.421 1414 D N -0.085 120.233 120.400 -0.137 0.000 3.485 1414 D HA 0.232 4.719 4.640 -0.256 0.000 0.358 1414 D C -1.821 174.386 176.300 -0.155 0.000 1.487 1414 D CA -0.500 53.433 54.000 -0.113 0.000 0.922 1414 D CB 0.981 41.733 40.800 -0.081 0.000 1.479 1414 D HN 0.063 nan 8.370 nan 0.000 0.567 1415 N N 0.781 119.420 118.700 -0.101 0.000 2.369 1415 N HA 0.205 4.791 4.740 -0.256 0.000 0.287 1415 N C 0.904 176.387 175.510 -0.045 0.000 1.067 1415 N CA -0.329 52.673 53.050 -0.079 0.000 0.888 1415 N CB 1.664 40.137 38.487 -0.022 0.000 1.616 1415 N HN 0.531 nan 8.380 nan 0.000 0.482 1416 I N 0.205 120.744 120.570 -0.051 0.000 3.010 1416 I HA -0.026 3.990 4.170 -0.256 0.000 0.271 1416 I C 0.297 176.411 176.117 -0.004 0.000 1.293 1416 I CA 0.852 62.119 61.300 -0.054 0.000 1.452 1416 I CB -0.125 37.826 38.000 -0.082 0.000 1.082 1416 I HN 0.255 nan 8.210 nan 0.000 0.484 1417 N N 1.557 120.285 118.700 0.047 0.000 2.280 1417 N HA 0.042 4.629 4.740 -0.256 0.000 0.192 1417 N C 0.939 176.503 175.510 0.090 0.000 1.109 1417 N CA 0.543 53.642 53.050 0.081 0.000 0.855 1417 N CB 0.374 38.956 38.487 0.157 0.000 0.974 1417 N HN 0.575 nan 8.380 nan 0.000 0.482 1418 S N 0.177 115.916 115.700 0.064 0.000 2.686 1418 S HA 0.180 4.496 4.470 -0.256 0.000 0.270 1418 S C 1.394 176.024 174.600 0.050 0.000 1.194 1418 S CA -0.303 57.931 58.200 0.057 0.000 0.990 1418 S CB 1.363 64.582 63.200 0.031 0.000 1.029 1418 S HN 0.164 nan 8.310 nan 0.000 0.560 1419 S N -0.911 114.813 115.700 0.040 0.000 2.593 1419 S HA 0.034 4.351 4.470 -0.256 0.000 0.217 1419 S C 1.231 175.842 174.600 0.018 0.000 0.966 1419 S CA 0.569 58.789 58.200 0.033 0.000 0.914 1419 S CB -0.918 62.293 63.200 0.020 0.000 0.776 1419 S HN 1.010 nan 8.310 nan 0.000 0.523 1420 T N -1.942 112.617 114.554 0.007 0.000 3.003 1420 T HA 0.610 4.807 4.350 -0.256 0.000 0.261 1420 T C 0.604 175.291 174.700 -0.021 0.000 1.003 1420 T CA 0.179 62.276 62.100 -0.005 0.000 0.917 1420 T CB 0.056 68.920 68.868 -0.007 0.000 1.084 1420 T HN 0.476 nan 8.240 nan 0.000 0.522 1421 A N 3.391 126.192 122.820 -0.031 0.000 2.445 1421 A HA 0.525 4.692 4.320 -0.256 0.000 0.242 1421 A C -0.697 176.832 177.584 -0.093 0.000 1.075 1421 A CA -1.288 50.707 52.037 -0.070 0.000 0.777 1421 A CB 0.352 19.300 19.000 -0.087 0.000 1.013 1421 A HN 0.229 nan 8.150 nan 0.000 0.493 1422 P HA 0.021 nan 4.420 nan 0.000 0.223 1422 P C -0.151 176.989 177.300 -0.268 0.000 1.151 1422 P CA 1.056 64.053 63.100 -0.172 0.000 0.787 1422 P CB 0.096 31.693 31.700 -0.172 0.000 0.788 1423 L N -0.427 120.592 121.223 -0.340 0.000 2.381 1423 L HA 0.442 4.628 4.340 -0.256 0.000 0.274 1423 L C 0.112 176.866 176.870 -0.193 0.000 0.988 1423 L CA -0.672 53.955 54.840 -0.355 0.000 0.824 1423 L CB 2.644 44.341 42.059 -0.603 0.000 1.263 1423 L HN -0.294 nan 8.230 nan 0.000 0.410 1424 K N 1.893 122.247 120.400 -0.076 0.000 2.371 1424 K HA 0.749 4.916 4.320 -0.256 0.000 0.251 1424 K C -0.541 176.097 176.600 0.062 0.000 0.934 1424 K CA -0.732 55.555 56.287 0.000 0.000 0.798 1424 K CB 2.610 35.142 32.500 0.054 0.000 1.204 1424 K HN 0.629 nan 8.250 nan 0.000 0.427 1425 A N 1.991 124.826 122.820 0.025 0.000 2.386 1425 A HA 0.085 4.252 4.320 -0.256 0.000 0.246 1425 A C -0.023 177.652 177.584 0.151 0.000 1.089 1425 A CA -0.017 52.053 52.037 0.054 0.000 0.790 1425 A CB 0.150 19.102 19.000 -0.079 0.000 1.042 1425 A HN 0.771 nan 8.150 nan 0.000 0.497 1426 K N 0.730 121.268 120.400 0.231 0.000 2.489 1426 K HA 0.217 4.384 4.320 -0.256 0.000 0.278 1426 K C 0.615 177.148 176.600 -0.111 0.000 1.000 1426 K CA 0.613 56.941 56.287 0.069 0.000 1.012 1426 K CB 0.243 32.803 32.500 0.100 0.000 0.903 1426 K HN 0.728 nan 8.250 nan 0.000 0.485 1427 G N 2.801 111.307 108.800 -0.490 0.000 2.605 1427 G HA2 0.211 4.018 3.960 -0.256 0.000 0.301 1427 G HA3 0.211 4.018 3.960 -0.256 0.000 0.301 1427 G C -0.404 174.008 174.900 -0.812 0.000 0.881 1427 G CA -0.007 44.337 45.100 -1.260 0.000 1.553 1427 G HN 0.601 nan 8.290 nan 0.000 0.483 1428 T N 0.095 114.437 114.554 -0.353 0.000 2.693 1428 T HA 0.555 4.752 4.350 -0.256 0.000 0.304 1428 T C 0.180 174.723 174.700 -0.260 0.000 1.471 1428 T CA -0.007 61.953 62.100 -0.233 0.000 0.993 1428 T CB 0.887 69.537 68.868 -0.363 0.000 1.554 1428 T HN 0.797 nan 8.240 nan 0.000 0.496 1429 S N 0.797 116.277 115.700 -0.367 0.000 2.580 1429 S HA 0.670 4.987 4.470 -0.256 0.000 0.274 1429 S C -1.269 172.793 174.600 -0.896 0.000 1.329 1429 S CA -0.275 57.468 58.200 -0.761 0.000 1.036 1429 S CB 0.170 62.963 63.200 -0.679 0.000 0.919 1429 S HN 0.577 nan 8.310 nan 0.000 0.515 1430 Y N 0.067 120.101 120.300 -0.443 0.000 2.477 1430 Y HA 0.538 4.934 4.550 -0.256 0.000 0.347 1430 Y C -0.049 175.704 175.900 -0.244 0.000 0.981 1430 Y CA -1.088 56.879 58.100 -0.223 0.000 1.033 1430 Y CB 1.534 39.968 38.460 -0.043 0.000 1.245 1430 Y HN 0.588 nan 8.280 nan 0.000 0.455 1431 I N 3.395 123.919 120.570 -0.078 0.000 2.331 1431 I HA 0.254 4.271 4.170 -0.256 0.000 0.292 1431 I C -0.645 175.438 176.117 -0.057 0.000 0.998 1431 I CA -0.478 60.741 61.300 -0.135 0.000 1.267 1431 I CB 0.778 38.632 38.000 -0.243 0.000 1.386 1431 I HN 0.591 nan 8.210 nan 0.000 0.476 1432 N N 6.487 125.159 118.700 -0.046 0.000 2.417 1432 N HA 0.623 5.210 4.740 -0.256 0.000 0.300 1432 N C -1.152 174.328 175.510 -0.051 0.000 1.102 1432 N CA -0.479 52.563 53.050 -0.013 0.000 0.886 1432 N CB 2.351 40.845 38.487 0.013 0.000 1.203 1432 N HN 0.473 nan 8.380 nan 0.000 0.496 1433 L N 1.602 122.826 121.223 0.001 0.000 2.385 1433 L HA 0.705 4.891 4.340 -0.256 0.000 0.273 1433 L C -0.943 176.029 176.870 0.169 0.000 0.990 1433 L CA -0.783 54.093 54.840 0.059 0.000 0.821 1433 L CB 1.310 43.391 42.059 0.037 0.000 1.279 1433 L HN 0.374 nan 8.230 nan 0.000 0.412 1434 V N 1.570 121.605 119.914 0.203 0.000 3.074 1434 V HA 0.735 4.702 4.120 -0.256 0.000 0.314 1434 V C -1.313 175.025 176.094 0.407 0.000 1.117 1434 V CA -0.617 61.807 62.300 0.206 0.000 1.014 1434 V CB 1.697 33.585 31.823 0.108 0.000 1.057 1434 V HN 0.822 nan 8.190 nan 0.000 0.438 1435 Y N -0.440 120.055 120.300 0.325 0.000 2.588 1435 Y HA 0.876 5.272 4.550 -0.256 0.000 0.343 1435 Y C -0.499 175.365 175.900 -0.060 0.000 1.065 1435 Y CA -0.965 57.197 58.100 0.103 0.000 1.038 1435 Y CB 1.582 39.931 38.460 -0.184 0.000 1.297 1435 Y HN 0.858 nan 8.280 nan 0.000 0.467 1436 S N 0.608 116.164 115.700 -0.241 0.000 2.557 1436 S HA 0.407 4.723 4.470 -0.256 0.000 0.291 1436 S C -1.004 173.432 174.600 -0.275 0.000 1.116 1436 S CA -0.621 57.246 58.200 -0.555 0.000 0.992 1436 S CB 0.956 63.355 63.200 -1.335 0.000 1.028 1436 S HN 0.768 nan 8.310 nan 0.000 0.484 1437 D N 2.440 122.738 120.400 -0.169 0.000 2.395 1437 D HA 0.150 4.637 4.640 -0.256 0.000 0.213 1437 D C -0.194 176.034 176.300 -0.121 0.000 1.110 1437 D CA 0.224 54.161 54.000 -0.106 0.000 0.835 1437 D CB 0.530 41.315 40.800 -0.025 0.000 0.965 1437 D HN 0.736 nan 8.370 nan 0.000 0.505 1438 D N -0.371 119.919 120.400 -0.183 0.000 2.804 1438 D HA 0.096 4.582 4.640 -0.256 0.000 0.308 1438 D C -0.015 176.192 176.300 -0.154 0.000 1.371 1438 D CA -0.565 53.349 54.000 -0.142 0.000 0.823 1438 D CB 0.136 40.861 40.800 -0.125 0.000 1.126 1438 D HN -0.248 nan 8.370 nan 0.000 0.467 1439 D N -0.085 120.220 120.400 -0.158 0.000 2.907 1439 D HA -0.129 4.357 4.640 -0.256 0.000 0.226 1439 D C 1.282 177.508 176.300 -0.123 0.000 1.141 1439 D CA 1.864 55.803 54.000 -0.100 0.000 0.779 1439 D CB -1.265 39.508 40.800 -0.046 0.000 1.095 1439 D HN 0.757 nan 8.370 nan 0.000 0.430 1440 G N -0.817 107.782 108.800 -0.334 0.000 2.176 1440 G HA2 -0.402 3.405 3.960 -0.256 0.000 0.253 1440 G HA3 -0.402 3.405 3.960 -0.256 0.000 0.253 1440 G C 1.155 175.914 174.900 -0.234 0.000 0.979 1440 G CA 0.759 45.632 45.100 -0.378 0.000 0.641 1440 G HN 0.545 nan 8.290 nan 0.000 0.530 1441 K N 0.087 120.357 120.400 -0.216 0.000 2.062 1441 K HA 0.098 4.265 4.320 -0.256 0.000 0.205 1441 K C 1.418 177.958 176.600 -0.101 0.000 1.051 1441 K CA 1.587 57.822 56.287 -0.086 0.000 0.941 1441 K CB -0.078 32.384 32.500 -0.065 0.000 0.719 1441 K HN 0.697 nan 8.250 nan 0.000 0.440 1442 T N -2.304 112.074 114.554 -0.293 0.000 2.906 1442 T HA 0.515 4.712 4.350 -0.256 0.000 0.295 1442 T C -1.449 172.961 174.700 -0.485 0.000 1.061 1442 T CA -0.990 60.989 62.100 -0.203 0.000 1.000 1442 T CB 1.318 70.125 68.868 -0.103 0.000 1.103 1442 T HN 0.138 nan 8.240 nan 0.000 0.486 1443 W N 1.099 122.351 121.300 -0.081 0.000 2.936 1443 W HA 0.619 5.125 4.660 -0.256 0.000 0.338 1443 W C 0.598 176.984 176.519 -0.221 0.000 1.121 1443 W CA -0.752 56.508 57.345 -0.143 0.000 1.209 1443 W CB 1.988 31.391 29.460 -0.095 0.000 1.420 1443 W HN 1.020 nan 8.180 nan 0.000 0.516 1444 S N 0.341 115.929 115.700 -0.186 0.000 2.606 1444 S HA 0.328 4.644 4.470 -0.256 0.000 0.257 1444 S C 0.006 174.538 174.600 -0.113 0.000 1.327 1444 S CA -0.510 57.494 58.200 -0.326 0.000 0.984 1444 S CB 0.813 63.442 63.200 -0.953 0.000 0.941 1444 S HN 0.465 nan 8.310 nan 0.000 0.576 1445 E N 1.316 121.466 120.200 -0.083 0.000 2.345 1445 E HA 0.408 4.605 4.350 -0.256 0.000 0.259 1445 E C -2.430 174.168 176.600 -0.004 0.000 1.117 1445 E CA -1.898 54.480 56.400 -0.037 0.000 0.913 1445 E CB -0.001 29.687 29.700 -0.020 0.000 1.057 1445 E HN 0.479 nan 8.360 nan 0.000 0.432 1446 P HA 0.023 nan 4.420 nan 0.000 0.271 1446 P C -1.032 176.328 177.300 0.101 0.000 1.216 1446 P CA -0.149 62.982 63.100 0.052 0.000 0.771 1446 P CB 0.537 32.265 31.700 0.046 0.000 0.864 1447 Q N 2.195 122.079 119.800 0.140 0.000 2.303 1447 Q HA 0.235 4.421 4.340 -0.256 0.000 0.257 1447 Q C -0.124 175.968 176.000 0.152 0.000 0.941 1447 Q CA -0.317 55.595 55.803 0.181 0.000 0.931 1447 Q CB 0.821 29.701 28.738 0.237 0.000 1.215 1447 Q HN 0.315 nan 8.270 nan 0.000 0.437 1448 N N 3.488 122.314 118.700 0.210 0.000 2.437 1448 N HA 0.130 4.716 4.740 -0.256 0.000 0.243 1448 N C 0.253 175.913 175.510 0.252 0.000 1.041 1448 N CA -0.219 52.979 53.050 0.245 0.000 0.940 1448 N CB 0.352 39.044 38.487 0.341 0.000 1.133 1448 N HN 0.695 nan 8.380 nan 0.000 0.506 1449 I N 0.103 120.689 120.570 0.027 0.000 3.891 1449 I HA 0.318 4.334 4.170 -0.256 0.000 0.331 1449 I C 0.739 176.630 176.117 -0.376 0.000 1.406 1449 I CA -0.355 60.799 61.300 -0.244 0.000 1.139 1449 I CB -0.088 37.719 38.000 -0.321 0.000 1.056 1449 I HN 0.115 nan 8.210 nan 0.000 0.399 1450 N N 2.581 121.205 118.700 -0.127 0.000 2.149 1450 N HA -0.218 4.368 4.740 -0.256 0.000 0.188 1450 N C 1.654 176.960 175.510 -0.341 0.000 1.019 1450 N CA 2.002 54.965 53.050 -0.145 0.000 0.857 1450 N CB -0.436 38.167 38.487 0.194 0.000 0.997 1450 N HN 0.749 nan 8.380 nan 0.000 0.426 1451 F N 0.105 119.615 119.950 -0.734 0.000 2.333 1451 F HA 0.027 4.401 4.527 -0.255 0.000 0.300 1451 F C 1.820 177.392 175.800 -0.379 0.000 1.083 1451 F CA 0.695 58.265 58.000 -0.717 0.000 1.395 1451 F CB -0.470 37.849 39.000 -1.136 0.000 1.056 1451 F HN -0.060 nan 8.300 nan 0.000 0.529 1452 Q N 1.161 120.346 119.800 -1.025 0.000 2.163 1452 Q HA 0.030 4.216 4.340 -0.256 0.000 0.198 1452 Q C 2.404 178.168 176.000 -0.393 0.000 0.954 1452 Q CA 2.083 57.463 55.803 -0.706 0.000 0.851 1452 Q CB -0.322 27.986 28.738 -0.717 0.000 0.928 1452 Q HN 0.621 nan 8.270 nan 0.000 0.459 1453 V N -3.248 116.441 119.914 -0.374 0.000 3.612 1453 V HA 0.337 4.303 4.120 -0.256 0.000 0.268 1453 V C 0.654 176.553 176.094 -0.325 0.000 1.365 1453 V CA -0.148 61.973 62.300 -0.298 0.000 1.044 1453 V CB 0.281 31.945 31.823 -0.265 0.000 0.820 1453 V HN -0.067 nan 8.190 nan 0.000 0.444 1454 K N 2.265 122.465 120.400 -0.335 0.000 2.240 1454 K HA 0.454 4.621 4.320 -0.256 0.000 0.271 1454 K C -0.240 176.124 176.600 -0.395 0.000 1.018 1454 K CA -0.511 55.544 56.287 -0.387 0.000 0.874 1454 K CB 1.079 33.372 32.500 -0.345 0.000 1.098 1454 K HN 0.390 nan 8.250 nan 0.000 0.458 1455 K N 2.325 122.375 120.400 -0.584 0.000 2.090 1455 K HA 0.092 4.258 4.320 -0.256 0.000 0.250 1455 K C 0.249 176.528 176.600 -0.536 0.000 1.004 1455 K CA -0.844 55.084 56.287 -0.599 0.000 0.919 1455 K CB 0.643 32.586 32.500 -0.928 0.000 1.045 1455 K HN 0.529 nan 8.250 nan 0.000 0.471 1456 D N 0.884 121.103 120.400 -0.303 0.000 2.218 1456 D HA -0.143 4.343 4.640 -0.256 0.000 0.204 1456 D C 1.285 177.557 176.300 -0.046 0.000 0.976 1456 D CA 1.113 55.049 54.000 -0.106 0.000 0.853 1456 D CB 0.118 40.938 40.800 0.034 0.000 0.939 1456 D HN 0.667 nan 8.370 nan 0.000 0.481 1457 W N -0.493 120.768 121.300 -0.065 0.000 3.278 1457 W HA 0.331 4.837 4.660 -0.256 0.000 0.308 1457 W C 0.075 176.560 176.519 -0.058 0.000 1.253 1457 W CA -0.515 56.802 57.345 -0.047 0.000 1.759 1457 W CB -0.741 28.701 29.460 -0.030 0.000 1.093 1457 W HN -0.171 nan 8.180 nan 0.000 0.648 1458 M N 1.956 121.310 119.600 -0.410 0.000 2.216 1458 M HA 0.186 4.512 4.480 -0.256 0.000 0.356 1458 M C 1.141 177.340 176.300 -0.167 0.000 1.205 1458 M CA 0.249 55.343 55.300 -0.344 0.000 1.122 1458 M CB 2.044 34.243 32.600 -0.669 0.000 1.571 1458 M HN -0.187 nan 8.290 nan 0.000 0.464 1459 K N 1.929 122.292 120.400 -0.061 0.000 2.167 1459 K HA 0.187 4.354 4.320 -0.256 0.000 0.214 1459 K C 0.147 176.700 176.600 -0.077 0.000 1.024 1459 K CA 0.559 56.811 56.287 -0.059 0.000 0.951 1459 K CB 0.202 32.691 32.500 -0.017 0.000 0.907 1459 K HN 0.505 nan 8.250 nan 0.000 0.459 1460 F N 1.954 121.752 119.950 -0.253 0.000 2.384 1460 F HA 0.407 4.779 4.527 -0.257 0.000 0.338 1460 F C -0.852 174.809 175.800 -0.232 0.000 1.103 1460 F CA -0.989 56.840 58.000 -0.285 0.000 1.157 1460 F CB 0.843 39.537 39.000 -0.510 0.000 1.167 1460 F HN -0.112 nan 8.300 nan 0.000 0.529 1461 L N 6.060 126.671 121.223 -1.021 0.000 2.482 1461 L HA 0.828 5.015 4.340 -0.256 0.000 0.269 1461 L C -0.921 175.166 176.870 -1.306 0.000 0.967 1461 L CA -0.021 54.254 54.840 -0.940 0.000 0.851 1461 L CB 1.616 43.359 42.059 -0.526 0.000 1.242 1461 L HN 0.754 nan 8.230 nan 0.000 0.404 1462 G N 4.621 112.625 108.800 -1.326 0.000 2.619 1462 G HA2 0.535 4.342 3.960 -0.256 0.000 0.296 1462 G HA3 0.535 4.342 3.960 -0.256 0.000 0.296 1462 G C -1.043 173.736 174.900 -0.201 0.000 1.334 1462 G CA -0.848 43.773 45.100 -0.798 0.000 0.934 1462 G HN 0.429 nan 8.290 nan 0.000 0.476 1463 I N 1.139 121.675 120.570 -0.057 0.000 2.775 1463 I HA 0.206 4.223 4.170 -0.256 0.000 0.290 1463 I C 1.100 177.371 176.117 0.257 0.000 1.203 1463 I CA -0.228 61.112 61.300 0.066 0.000 1.433 1463 I CB 0.813 38.826 38.000 0.023 0.000 1.354 1463 I HN 0.519 nan 8.210 nan 0.000 0.579 1464 A N 9.728 132.688 122.820 0.234 0.000 2.279 1464 A HA 0.563 4.730 4.320 -0.256 0.000 0.306 1464 A C -2.157 175.485 177.584 0.095 0.000 1.300 1464 A CA -1.347 50.802 52.037 0.187 0.000 0.925 1464 A CB -0.199 18.856 19.000 0.093 0.000 1.152 1464 A HN 0.477 nan 8.150 nan 0.000 0.544 1465 P HA 0.450 nan 4.420 nan 0.000 0.272 1465 P C 0.817 178.149 177.300 0.053 0.000 1.223 1465 P CA 1.087 64.244 63.100 0.096 0.000 0.784 1465 P CB 1.520 33.317 31.700 0.163 0.000 0.923 1466 G N 1.885 110.727 108.800 0.069 0.000 1.844 1466 G HA2 -0.030 3.776 3.960 -0.256 0.000 0.177 1466 G HA3 -0.030 3.776 3.960 -0.256 0.000 0.177 1466 G C -0.915 174.046 174.900 0.102 0.000 1.010 1466 G CA -0.349 44.795 45.100 0.075 0.000 1.257 1466 G HN 0.811 nan 8.290 nan 0.000 0.428 1467 R N 0.278 120.843 120.500 0.109 0.000 2.799 1467 R HA 0.734 4.921 4.340 -0.256 0.000 0.270 1467 R C 0.167 176.544 176.300 0.128 0.000 1.010 1467 R CA -0.396 55.790 56.100 0.144 0.000 0.916 1467 R CB 1.441 31.894 30.300 0.254 0.000 1.228 1467 R HN 1.174 nan 8.270 nan 0.000 0.469 1468 G N 0.543 109.422 108.800 0.132 0.000 2.642 1468 G HA2 0.705 4.511 3.960 -0.256 0.000 0.291 1468 G HA3 0.705 4.511 3.960 -0.256 0.000 0.291 1468 G C -0.323 174.696 174.900 0.198 0.000 1.345 1468 G CA -1.075 44.117 45.100 0.153 0.000 1.043 1468 G HN 0.702 nan 8.290 nan 0.000 0.528 1469 I N -3.503 117.183 120.570 0.193 0.000 3.074 1469 I HA 0.708 4.724 4.170 -0.256 0.000 0.310 1469 I C -1.134 175.090 176.117 0.179 0.000 1.153 1469 I CA -1.161 60.258 61.300 0.199 0.000 0.993 1469 I CB 2.556 40.658 38.000 0.170 0.000 1.237 1469 I HN 0.483 nan 8.210 nan 0.000 0.443 1470 Q N 3.251 123.154 119.800 0.171 0.000 2.325 1470 Q HA 0.561 4.748 4.340 -0.256 0.000 0.270 1470 Q C -1.294 174.770 176.000 0.107 0.000 1.020 1470 Q CA -0.779 55.105 55.803 0.134 0.000 0.785 1470 Q CB 2.017 30.843 28.738 0.146 0.000 1.259 1470 Q HN 0.715 nan 8.270 nan 0.000 0.452 1471 I N 3.979 124.599 120.570 0.083 0.000 2.648 1471 I HA -0.056 3.961 4.170 -0.256 0.000 0.284 1471 I C 0.992 177.148 176.117 0.065 0.000 1.153 1471 I CA 0.269 61.613 61.300 0.073 0.000 1.426 1471 I CB 0.596 38.635 38.000 0.064 0.000 1.381 1471 I HN 0.646 nan 8.210 nan 0.000 0.571 1472 K N 4.034 124.469 120.400 0.059 0.000 2.367 1472 K HA 0.244 4.411 4.320 -0.256 0.000 0.195 1472 K C -0.101 176.520 176.600 0.036 0.000 1.060 1472 K CA 0.304 56.619 56.287 0.047 0.000 1.022 1472 K CB 0.361 32.888 32.500 0.045 0.000 0.894 1472 K HN 0.579 nan 8.250 nan 0.000 0.540 1473 N N 0.430 119.152 118.700 0.038 0.000 2.272 1473 N HA 0.375 4.962 4.740 -0.256 0.000 0.305 1473 N C 0.181 175.708 175.510 0.027 0.000 1.103 1473 N CA 0.250 53.318 53.050 0.030 0.000 0.791 1473 N CB 2.409 40.916 38.487 0.034 0.000 1.356 1473 N HN 0.160 nan 8.380 nan 0.000 0.486 1474 G N 1.409 110.214 108.800 0.009 0.000 2.681 1474 G HA2 -0.268 3.538 3.960 -0.256 0.000 0.220 1474 G HA3 -0.268 3.538 3.960 -0.256 0.000 0.220 1474 G C 0.611 175.472 174.900 -0.065 0.000 1.353 1474 G CA 0.288 45.379 45.100 -0.015 0.000 0.872 1474 G HN 0.743 nan 8.290 nan 0.000 0.557 1475 E N -1.080 119.029 120.200 -0.153 0.000 2.347 1475 E HA -0.053 4.144 4.350 -0.256 0.000 0.196 1475 E C 1.196 177.578 176.600 -0.363 0.000 1.008 1475 E CA 1.293 57.537 56.400 -0.260 0.000 0.852 1475 E CB -0.082 29.420 29.700 -0.331 0.000 0.783 1475 E HN 0.604 nan 8.360 nan 0.000 0.505 1476 H N 1.933 120.978 119.070 -0.042 0.000 2.519 1476 H HA 0.117 4.520 4.556 -0.256 0.000 0.289 1476 H C -0.049 175.255 175.328 -0.040 0.000 1.040 1476 H CA 0.116 56.128 56.048 -0.061 0.000 1.165 1476 H CB -0.081 29.618 29.762 -0.104 0.000 1.462 1476 H HN 0.274 nan 8.280 nan 0.000 0.555 1477 K N 0.104 120.523 120.400 0.033 0.000 2.484 1477 K HA 0.198 4.364 4.320 -0.256 0.000 0.280 1477 K C 0.937 177.557 176.600 0.032 0.000 1.013 1477 K CA 0.741 57.048 56.287 0.034 0.000 1.029 1477 K CB 0.671 33.181 32.500 0.017 0.000 0.902 1477 K HN 0.191 nan 8.250 nan 0.000 0.481 1478 G N 2.074 110.898 108.800 0.040 0.000 2.232 1478 G HA2 -0.320 3.487 3.960 -0.256 0.000 0.226 1478 G HA3 -0.320 3.487 3.960 -0.256 0.000 0.226 1478 G C 0.146 175.060 174.900 0.023 0.000 0.996 1478 G CA 0.167 45.287 45.100 0.033 0.000 0.626 1478 G HN 0.789 nan 8.290 nan 0.000 0.509 1479 R N 0.937 121.453 120.500 0.027 0.000 2.489 1479 R HA 0.471 4.658 4.340 -0.256 0.000 0.287 1479 R C 0.114 176.422 176.300 0.014 0.000 1.053 1479 R CA -0.194 55.906 56.100 0.000 0.000 1.036 1479 R CB 0.001 30.287 30.300 -0.024 0.000 0.966 1479 R HN 0.306 nan 8.270 nan 0.000 0.432 1480 I N 5.118 125.672 120.570 -0.027 0.000 2.342 1480 I HA 0.187 4.203 4.170 -0.256 0.000 0.291 1480 I C -0.521 175.679 176.117 0.139 0.000 1.010 1480 I CA -0.701 60.618 61.300 0.032 0.000 1.308 1480 I CB 1.745 39.702 38.000 -0.072 0.000 1.400 1480 I HN 0.300 nan 8.210 nan 0.000 0.488 1481 V N 7.403 127.438 119.914 0.203 0.000 2.444 1481 V HA 0.399 4.365 4.120 -0.256 0.000 0.294 1481 V C -0.245 176.004 176.094 0.258 0.000 1.022 1481 V CA -0.654 61.800 62.300 0.257 0.000 0.850 1481 V CB 2.037 33.972 31.823 0.186 0.000 0.992 1481 V HN 0.389 nan 8.190 nan 0.000 0.426 1482 V N 7.334 127.416 119.914 0.280 0.000 2.376 1482 V HA 0.393 4.359 4.120 -0.256 0.000 0.287 1482 V C -2.451 173.736 176.094 0.154 0.000 1.015 1482 V CA -2.052 60.350 62.300 0.171 0.000 0.834 1482 V CB 2.156 34.015 31.823 0.060 0.000 1.001 1482 V HN 0.700 nan 8.190 nan 0.000 0.428 1483 P HA 0.237 nan 4.420 nan 0.000 0.266 1483 P C -0.583 176.791 177.300 0.123 0.000 1.195 1483 P CA 0.356 63.535 63.100 0.133 0.000 0.768 1483 P CB 0.842 32.603 31.700 0.101 0.000 0.838 1484 V N 1.147 121.155 119.914 0.156 0.000 3.165 1484 V HA 0.858 4.824 4.120 -0.256 0.000 0.309 1484 V C -1.412 174.878 176.094 0.326 0.000 1.267 1484 V CA -1.134 61.285 62.300 0.198 0.000 1.067 1484 V CB 1.908 33.786 31.823 0.092 0.000 1.082 1484 V HN 0.647 nan 8.190 nan 0.000 0.451 1485 Y N -0.320 120.028 120.300 0.080 0.000 2.638 1485 Y HA 0.923 5.321 4.550 -0.254 0.000 0.335 1485 Y C -1.381 174.637 175.900 0.197 0.000 1.155 1485 Y CA -1.301 56.839 58.100 0.066 0.000 1.046 1485 Y CB 1.707 40.210 38.460 0.072 0.000 1.303 1485 Y HN 1.103 nan 8.280 nan 0.000 0.460 1486 Y N -1.086 119.299 120.300 0.142 0.000 2.625 1486 Y HA 0.813 5.210 4.550 -0.255 0.000 0.338 1486 Y C -0.936 175.070 175.900 0.176 0.000 1.123 1486 Y CA -1.098 57.023 58.100 0.035 0.000 1.046 1486 Y CB 1.336 39.725 38.460 -0.119 0.000 1.299 1486 Y HN 0.824 nan 8.280 nan 0.000 0.464 1487 T N -0.126 114.635 114.554 0.345 0.000 2.895 1487 T HA 0.558 4.755 4.350 -0.256 0.000 0.283 1487 T C -0.327 174.571 174.700 0.331 0.000 1.014 1487 T CA -0.805 61.447 62.100 0.253 0.000 1.037 1487 T CB 1.303 70.177 68.868 0.010 0.000 1.006 1487 T HN 0.915 nan 8.240 nan 0.000 0.468 1488 N N 1.183 120.105 118.700 0.369 0.000 2.495 1488 N HA 0.225 4.811 4.740 -0.256 0.000 0.294 1488 N C 0.803 176.463 175.510 0.251 0.000 1.276 1488 N CA -0.800 52.506 53.050 0.426 0.000 0.973 1488 N CB 0.062 38.802 38.487 0.422 0.000 1.143 1488 N HN 0.753 nan 8.380 nan 0.000 0.589 1489 E N -0.574 119.768 120.200 0.236 0.000 2.160 1489 E HA -0.135 4.061 4.350 -0.256 0.000 0.195 1489 E C 0.785 177.454 176.600 0.115 0.000 0.991 1489 E CA 1.136 57.626 56.400 0.151 0.000 0.810 1489 E CB -0.101 29.678 29.700 0.132 0.000 0.742 1489 E HN 0.521 nan 8.360 nan 0.000 0.466 1490 K N -0.677 119.795 120.400 0.120 0.000 2.444 1490 K HA 0.069 4.236 4.320 -0.256 0.000 0.193 1490 K C 0.936 177.612 176.600 0.128 0.000 1.024 1490 K CA 0.460 56.810 56.287 0.106 0.000 1.077 1490 K CB 0.723 33.277 32.500 0.090 0.000 0.833 1490 K HN 0.245 nan 8.250 nan 0.000 0.517 1491 G N 1.808 110.690 108.800 0.136 0.000 2.179 1491 G HA2 -0.218 3.588 3.960 -0.256 0.000 0.260 1491 G HA3 -0.218 3.588 3.960 -0.256 0.000 0.260 1491 G C -0.196 174.808 174.900 0.173 0.000 0.977 1491 G CA 0.003 45.188 45.100 0.142 0.000 0.641 1491 G HN 0.073 nan 8.290 nan 0.000 0.533 1492 K N 0.762 121.267 120.400 0.176 0.000 2.143 1492 K HA 0.496 4.662 4.320 -0.256 0.000 0.272 1492 K C 0.512 177.226 176.600 0.189 0.000 1.001 1492 K CA -0.333 56.063 56.287 0.181 0.000 0.915 1492 K CB 1.165 33.752 32.500 0.145 0.000 1.047 1492 K HN 0.516 nan 8.250 nan 0.000 0.458 1493 Q N 0.723 120.640 119.800 0.194 0.000 2.243 1493 Q HA 0.375 4.562 4.340 -0.256 0.000 0.252 1493 Q C -0.645 175.399 176.000 0.074 0.000 0.909 1493 Q CA -0.306 55.617 55.803 0.199 0.000 0.922 1493 Q CB 1.539 30.463 28.738 0.311 0.000 1.215 1493 Q HN 0.417 nan 8.270 nan 0.000 0.427 1494 S N 0.834 116.468 115.700 -0.110 0.000 2.541 1494 S HA 0.432 4.748 4.470 -0.256 0.000 0.280 1494 S C -0.854 173.512 174.600 -0.390 0.000 1.112 1494 S CA -0.755 57.282 58.200 -0.272 0.000 0.925 1494 S CB 1.897 64.891 63.200 -0.344 0.000 1.067 1494 S HN 0.514 nan 8.310 nan 0.000 0.479 1495 S N 1.570 117.148 115.700 -0.204 0.000 2.632 1495 S HA 0.905 5.221 4.470 -0.256 0.000 0.267 1495 S C 0.194 174.733 174.600 -0.102 0.000 1.276 1495 S CA -0.456 57.671 58.200 -0.121 0.000 0.998 1495 S CB 1.309 64.414 63.200 -0.158 0.000 0.953 1495 S HN 1.029 nan 8.310 nan 0.000 0.547 1496 A N 0.459 123.306 122.820 0.044 0.000 2.506 1496 A HA 0.762 4.928 4.320 -0.256 0.000 0.305 1496 A C -1.138 176.588 177.584 0.237 0.000 1.166 1496 A CA -0.539 51.611 52.037 0.189 0.000 0.638 1496 A CB 0.382 19.611 19.000 0.382 0.000 1.336 1496 A HN 1.310 nan 8.150 nan 0.000 0.493 1497 V N -0.984 119.148 119.914 0.363 0.000 2.914 1497 V HA 0.871 4.838 4.120 -0.256 0.000 0.314 1497 V C -0.229 176.055 176.094 0.316 0.000 1.084 1497 V CA -0.610 61.892 62.300 0.336 0.000 0.963 1497 V CB 1.320 33.387 31.823 0.407 0.000 1.025 1497 V HN 1.405 nan 8.190 nan 0.000 0.432 1498 I N 1.971 122.688 120.570 0.245 0.000 2.577 1498 I HA 0.923 4.939 4.170 -0.256 0.000 0.305 1498 I C -0.603 175.762 176.117 0.414 0.000 0.986 1498 I CA -0.800 60.624 61.300 0.208 0.000 1.189 1498 I CB 1.858 39.913 38.000 0.092 0.000 1.355 1498 I HN 0.967 nan 8.210 nan 0.000 0.476 1499 Y N 1.564 122.037 120.300 0.288 0.000 2.609 1499 Y HA 0.769 5.165 4.550 -0.256 0.000 0.336 1499 Y C -1.003 174.752 175.900 -0.241 0.000 1.129 1499 Y CA -1.233 56.929 58.100 0.103 0.000 1.040 1499 Y CB 1.204 39.665 38.460 0.001 0.000 1.310 1499 Y HN 0.685 nan 8.280 nan 0.000 0.460 1500 S N 0.449 115.900 115.700 -0.415 0.000 2.571 1500 S HA 0.389 4.706 4.470 -0.256 0.000 0.284 1500 S C -1.026 173.371 174.600 -0.337 0.000 1.128 1500 S CA -0.618 57.135 58.200 -0.744 0.000 0.970 1500 S CB 1.085 63.285 63.200 -1.666 0.000 1.039 1500 S HN 0.783 nan 8.310 nan 0.000 0.485 1501 D N 2.207 122.484 120.400 -0.205 0.000 2.369 1501 D HA 0.118 4.604 4.640 -0.256 0.000 0.211 1501 D C -0.123 176.103 176.300 -0.124 0.000 1.077 1501 D CA 0.298 54.239 54.000 -0.098 0.000 0.842 1501 D CB 0.442 41.237 40.800 -0.007 0.000 0.947 1501 D HN 0.742 nan 8.370 nan 0.000 0.509 1502 D N -0.829 119.450 120.400 -0.201 0.000 2.891 1502 D HA 0.083 4.569 4.640 -0.256 0.000 0.312 1502 D C -0.093 176.113 176.300 -0.157 0.000 1.354 1502 D CA -0.704 53.207 54.000 -0.148 0.000 0.838 1502 D CB 0.140 40.865 40.800 -0.126 0.000 1.117 1502 D HN -0.310 nan 8.370 nan 0.000 0.473 1503 S N -0.577 115.028 115.700 -0.159 0.000 3.561 1503 S HA -0.048 4.269 4.470 -0.256 0.000 0.318 1503 S C 1.414 175.978 174.600 -0.060 0.000 1.181 1503 S CA 0.936 59.100 58.200 -0.058 0.000 0.916 1503 S CB -1.655 61.557 63.200 0.020 0.000 0.966 1503 S HN 1.418 nan 8.310 nan 0.000 0.550 1504 G N 0.136 108.697 108.800 -0.398 0.000 2.175 1504 G HA2 -0.330 3.477 3.960 -0.256 0.000 0.244 1504 G HA3 -0.330 3.477 3.960 -0.256 0.000 0.244 1504 G C 0.665 175.490 174.900 -0.125 0.000 0.982 1504 G CA 0.754 45.572 45.100 -0.469 0.000 0.641 1504 G HN 0.584 nan 8.290 nan 0.000 0.527 1505 K N -0.175 120.134 120.400 -0.152 0.000 2.057 1505 K HA -0.007 4.160 4.320 -0.256 0.000 0.206 1505 K C 0.684 177.251 176.600 -0.054 0.000 1.050 1505 K CA 1.327 57.592 56.287 -0.037 0.000 0.935 1505 K CB -0.050 32.424 32.500 -0.045 0.000 0.715 1505 K HN 0.531 nan 8.250 nan 0.000 0.439 1506 N N -1.200 117.341 118.700 -0.265 0.000 2.229 1506 N HA 0.291 4.877 4.740 -0.256 0.000 0.298 1506 N C -1.675 173.513 175.510 -0.538 0.000 1.114 1506 N CA -0.666 52.246 53.050 -0.230 0.000 0.776 1506 N CB 1.382 39.770 38.487 -0.165 0.000 1.501 1506 N HN -0.010 nan 8.380 nan 0.000 0.474 1507 W N 0.251 121.393 121.300 -0.263 0.000 2.844 1507 W HA 0.622 5.129 4.660 -0.256 0.000 0.340 1507 W C -0.292 175.997 176.519 -0.384 0.000 1.093 1507 W CA -0.500 56.658 57.345 -0.312 0.000 1.212 1507 W CB 1.923 31.205 29.460 -0.298 0.000 1.422 1507 W HN 0.409 nan 8.180 nan 0.000 0.515 1508 T N -0.187 114.183 114.554 -0.307 0.000 2.903 1508 T HA 0.679 4.876 4.350 -0.256 0.000 0.299 1508 T C -1.282 173.157 174.700 -0.435 0.000 1.093 1508 T CA -0.783 61.077 62.100 -0.400 0.000 1.002 1508 T CB 1.744 70.338 68.868 -0.456 0.000 1.127 1508 T HN 0.487 nan 8.240 nan 0.000 0.488 1509 I N 1.907 122.330 120.570 -0.245 0.000 2.385 1509 I HA 0.630 4.646 4.170 -0.256 0.000 0.294 1509 I C 0.953 177.087 176.117 0.028 0.000 0.988 1509 I CA -0.357 60.888 61.300 -0.091 0.000 1.265 1509 I CB 0.845 38.795 38.000 -0.084 0.000 1.388 1509 I HN 1.004 nan 8.210 nan 0.000 0.480 1510 G N 5.311 114.256 108.800 0.241 0.000 2.588 1510 G HA2 0.232 4.038 3.960 -0.256 0.000 0.281 1510 G HA3 0.232 4.038 3.960 -0.256 0.000 0.281 1510 G C -0.462 174.635 174.900 0.328 0.000 1.236 1510 G CA -0.512 44.795 45.100 0.346 0.000 0.969 1510 G HN 0.704 nan 8.290 nan 0.000 0.504 1511 E N -0.552 119.847 120.200 0.331 0.000 2.408 1511 E HA 0.215 4.412 4.350 -0.256 0.000 0.259 1511 E C 0.324 177.229 176.600 0.508 0.000 1.110 1511 E CA -0.016 56.612 56.400 0.381 0.000 0.929 1511 E CB 0.844 30.735 29.700 0.318 0.000 0.971 1511 E HN 0.302 nan 8.360 nan 0.000 0.438 1512 S N 1.313 117.270 115.700 0.428 0.000 2.603 1512 S HA 0.108 4.425 4.470 -0.256 0.000 0.268 1512 S C -1.816 172.891 174.600 0.178 0.000 1.317 1512 S CA -1.470 56.881 58.200 0.251 0.000 1.012 1512 S CB 0.631 63.944 63.200 0.189 0.000 0.926 1512 S HN 0.211 nan 8.310 nan 0.000 0.539 1513 P HA -0.002 nan 4.420 nan 0.000 0.223 1513 P C 0.593 177.909 177.300 0.027 0.000 1.144 1513 P CA 0.756 63.800 63.100 -0.093 0.000 0.783 1513 P CB 0.041 31.538 31.700 -0.339 0.000 0.771 1514 N N -0.803 117.913 118.700 0.026 0.000 2.515 1514 N HA -0.041 4.545 4.740 -0.256 0.000 0.185 1514 N C -0.094 175.476 175.510 0.100 0.000 1.109 1514 N CA 0.771 53.855 53.050 0.057 0.000 0.903 1514 N CB -0.474 38.038 38.487 0.042 0.000 0.969 1514 N HN 0.153 nan 8.380 nan 0.000 0.450 1515 D N 1.803 122.292 120.400 0.148 0.000 2.339 1515 D HA 0.092 4.578 4.640 -0.256 0.000 0.256 1515 D C 0.358 176.732 176.300 0.124 0.000 1.214 1515 D CA 0.056 54.145 54.000 0.148 0.000 0.877 1515 D CB 0.233 41.154 40.800 0.201 0.000 1.111 1515 D HN 0.044 nan 8.370 nan 0.000 0.478 1516 N N 1.490 120.243 118.700 0.088 0.000 2.725 1516 N HA -0.254 4.333 4.740 -0.256 0.000 0.249 1516 N C 0.155 175.714 175.510 0.083 0.000 1.103 1516 N CA 0.499 53.596 53.050 0.077 0.000 0.707 1516 N CB -0.933 37.601 38.487 0.079 0.000 1.043 1516 N HN 0.549 nan 8.380 nan 0.000 0.553 1517 R N 1.597 122.145 120.500 0.079 0.000 2.491 1517 R HA 0.148 4.334 4.340 -0.256 0.000 0.283 1517 R C 0.269 176.607 176.300 0.062 0.000 1.072 1517 R CA -0.087 56.058 56.100 0.075 0.000 1.048 1517 R CB 0.656 30.993 30.300 0.062 0.000 0.983 1517 R HN 0.081 nan 8.270 nan 0.000 0.450 1518 K N 6.209 126.648 120.400 0.065 0.000 2.268 1518 K HA 0.190 4.356 4.320 -0.256 0.000 0.276 1518 K C -0.245 176.384 176.600 0.049 0.000 1.080 1518 K CA -0.476 55.844 56.287 0.056 0.000 0.910 1518 K CB 0.558 33.095 32.500 0.062 0.000 1.163 1518 K HN 0.539 nan 8.250 nan 0.000 0.465 1519 L N 2.627 123.874 121.223 0.040 0.000 2.468 1519 L HA 0.032 4.218 4.340 -0.256 0.000 0.253 1519 L C 1.927 178.816 176.870 0.032 0.000 1.237 1519 L CA 0.083 54.943 54.840 0.034 0.000 0.823 1519 L CB 0.293 42.369 42.059 0.028 0.000 1.124 1519 L HN 0.801 nan 8.230 nan 0.000 0.504 1520 E N 0.733 120.949 120.200 0.027 0.000 2.097 1520 E HA -0.248 3.949 4.350 -0.256 0.000 0.196 1520 E C 1.061 177.674 176.600 0.022 0.000 1.000 1520 E CA 2.193 58.607 56.400 0.023 0.000 0.804 1520 E CB 0.060 29.771 29.700 0.017 0.000 0.740 1520 E HN 0.656 nan 8.360 nan 0.000 0.454 1521 N N -1.735 116.977 118.700 0.020 0.000 2.230 1521 N HA 0.176 4.763 4.740 -0.256 0.000 0.202 1521 N C 0.383 175.905 175.510 0.020 0.000 1.119 1521 N CA 0.314 53.374 53.050 0.018 0.000 0.851 1521 N CB 1.430 39.925 38.487 0.014 0.000 0.990 1521 N HN 0.289 nan 8.380 nan 0.000 0.497 1522 G N 0.994 109.808 108.800 0.024 0.000 2.229 1522 G HA2 -0.256 3.551 3.960 -0.256 0.000 0.189 1522 G HA3 -0.256 3.551 3.960 -0.256 0.000 0.189 1522 G C 0.057 174.973 174.900 0.026 0.000 1.000 1522 G CA -0.597 44.519 45.100 0.027 0.000 0.663 1522 G HN 0.265 nan 8.290 nan 0.000 0.493 1523 K N 1.155 121.570 120.400 0.024 0.000 2.448 1523 K HA 0.379 4.545 4.320 -0.256 0.000 0.278 1523 K C 0.175 176.791 176.600 0.028 0.000 1.009 1523 K CA -0.142 56.159 56.287 0.023 0.000 0.995 1523 K CB 0.132 32.645 32.500 0.021 0.000 0.917 1523 K HN 0.077 nan 8.250 nan 0.000 0.481 1524 I N 6.926 127.513 120.570 0.027 0.000 2.354 1524 I HA 0.287 4.304 4.170 -0.256 0.000 0.292 1524 I C 0.438 176.571 176.117 0.028 0.000 0.989 1524 I CA -0.683 60.636 61.300 0.031 0.000 1.188 1524 I CB 0.697 38.716 38.000 0.031 0.000 1.342 1524 I HN 0.618 nan 8.210 nan 0.000 0.457 1525 I N 3.665 124.255 120.570 0.033 0.000 3.264 1525 I HA 0.665 4.681 4.170 -0.256 0.000 0.309 1525 I C -0.577 175.560 176.117 0.033 0.000 1.099 1525 I CA -0.786 60.531 61.300 0.029 0.000 0.989 1525 I CB 2.456 40.475 38.000 0.032 0.000 1.250 1525 I HN 0.461 nan 8.210 nan 0.000 0.478 1526 N N 0.323 119.038 118.700 0.024 0.000 2.329 1526 N HA 0.198 4.785 4.740 -0.256 0.000 0.282 1526 N C 0.297 175.830 175.510 0.038 0.000 1.198 1526 N CA -0.002 53.063 53.050 0.026 0.000 0.790 1526 N CB 2.412 40.886 38.487 -0.022 0.000 1.579 1526 N HN 0.864 nan 8.380 nan 0.000 0.475 1527 S N 1.770 117.531 115.700 0.102 0.000 2.447 1527 S HA -0.104 4.213 4.470 -0.256 0.000 0.233 1527 S C 1.553 176.228 174.600 0.125 0.000 1.006 1527 S CA 0.893 59.212 58.200 0.198 0.000 0.957 1527 S CB 0.011 63.466 63.200 0.425 0.000 0.773 1527 S HN 0.685 nan 8.310 nan 0.000 0.507 1528 K N 1.480 121.741 120.400 -0.233 0.000 2.155 1528 K HA -0.049 4.118 4.320 -0.256 0.000 0.203 1528 K C 1.758 178.193 176.600 -0.274 0.000 1.052 1528 K CA 1.586 57.467 56.287 -0.677 0.000 0.948 1528 K CB -0.218 31.570 32.500 -1.187 0.000 0.728 1528 K HN 0.644 nan 8.250 nan 0.000 0.448 1529 T N -1.299 113.168 114.554 -0.144 0.000 3.023 1529 T HA 0.132 4.328 4.350 -0.256 0.000 0.253 1529 T C 0.415 175.112 174.700 -0.006 0.000 1.038 1529 T CA -0.576 61.480 62.100 -0.073 0.000 0.962 1529 T CB 0.017 68.843 68.868 -0.072 0.000 1.018 1529 T HN 0.046 nan 8.240 nan 0.000 0.521 1530 L N 4.027 125.264 121.223 0.024 0.000 2.601 1530 L HA 0.242 4.429 4.340 -0.256 0.000 0.277 1530 L C 1.008 177.912 176.870 0.057 0.000 1.219 1530 L CA 0.625 55.493 54.840 0.048 0.000 0.915 1530 L CB 0.423 42.526 42.059 0.072 0.000 1.160 1530 L HN 0.372 nan 8.230 nan 0.000 0.494 1531 S N 0.473 116.201 115.700 0.047 0.000 2.666 1531 S HA 0.313 4.630 4.470 -0.256 0.000 0.239 1531 S C -0.268 174.363 174.600 0.050 0.000 1.031 1531 S CA -0.142 58.087 58.200 0.049 0.000 1.015 1531 S CB -0.215 63.005 63.200 0.034 0.000 0.981 1531 S HN 0.739 nan 8.310 nan 0.000 0.547 1532 D N 0.383 120.811 120.400 0.048 0.000 2.419 1532 D HA 0.508 4.994 4.640 -0.256 0.000 0.234 1532 D C -0.179 176.150 176.300 0.048 0.000 1.014 1532 D CA -0.756 53.270 54.000 0.042 0.000 0.919 1532 D CB 0.604 41.421 40.800 0.029 0.000 1.366 1532 D HN -0.259 nan 8.370 nan 0.000 0.490 1533 D N 0.075 120.499 120.400 0.040 0.000 2.162 1533 D HA -0.029 4.458 4.640 -0.256 0.000 0.203 1533 D C 2.008 178.315 176.300 0.013 0.000 0.967 1533 D CA 1.332 55.354 54.000 0.036 0.000 0.840 1533 D CB -0.307 40.504 40.800 0.019 0.000 0.972 1533 D HN 0.515 nan 8.370 nan 0.000 0.482 1534 A N 1.424 124.248 122.820 0.006 0.000 1.902 1534 A HA -0.108 4.058 4.320 -0.256 0.000 0.217 1534 A C -0.424 177.163 177.584 0.005 0.000 1.181 1534 A CA 1.104 53.138 52.037 -0.005 0.000 0.623 1534 A CB -1.384 17.616 19.000 -0.000 0.000 0.818 1534 A HN 0.206 nan 8.150 nan 0.000 0.443 1535 P HA 0.083 nan 4.420 nan 0.000 0.253 1535 P C -0.059 177.256 177.300 0.026 0.000 1.260 1535 P CA -0.025 63.088 63.100 0.021 0.000 0.800 1535 P CB -0.007 31.709 31.700 0.026 0.000 1.162 1536 Q N 0.321 120.142 119.800 0.036 0.000 2.386 1536 Q HA 0.206 4.393 4.340 -0.256 0.000 0.282 1536 Q C -0.273 175.754 176.000 0.045 0.000 1.050 1536 Q CA 0.483 56.319 55.803 0.056 0.000 0.918 1536 Q CB 0.379 29.172 28.738 0.093 0.000 1.266 1536 Q HN 0.196 nan 8.270 nan 0.000 0.423 1537 L N 1.597 122.837 121.223 0.028 0.000 2.385 1537 L HA 0.463 4.649 4.340 -0.256 0.000 0.273 1537 L C 0.419 177.280 176.870 -0.014 0.000 0.990 1537 L CA -0.397 54.435 54.840 -0.013 0.000 0.821 1537 L CB 1.953 43.972 42.059 -0.067 0.000 1.279 1537 L HN 0.860 nan 8.230 nan 0.000 0.412 1538 T N -1.398 113.105 114.554 -0.084 0.000 1.672 1538 T HA 0.339 4.536 4.350 -0.256 0.000 0.180 1538 T C 0.191 174.549 174.700 -0.570 0.000 0.699 1538 T CA -0.612 61.345 62.100 -0.238 0.000 1.153 1538 T CB 0.109 68.868 68.868 -0.183 0.000 3.217 1538 T HN 0.452 nan 8.240 nan 0.000 0.426 1539 E N 0.808 120.459 120.200 -0.915 0.000 2.436 1539 E HA 0.422 4.619 4.350 -0.256 0.000 0.262 1539 E C -0.139 176.265 176.600 -0.326 0.000 1.063 1539 E CA 0.006 55.985 56.400 -0.701 0.000 0.944 1539 E CB 0.209 29.538 29.700 -0.619 0.000 0.950 1539 E HN 0.812 nan 8.360 nan 0.000 0.444 1540 C N 0.331 119.519 119.300 -0.186 0.000 3.311 1540 C HA 0.572 4.879 4.460 -0.256 0.000 0.325 1540 C C -1.475 173.504 174.990 -0.018 0.000 1.352 1540 C CA -1.095 57.877 59.018 -0.077 0.000 1.308 1540 C CB 1.659 29.358 27.740 -0.069 0.000 1.619 1540 C HN 0.606 nan 8.230 nan 0.000 0.469 1541 Q N 0.263 120.087 119.800 0.040 0.000 2.416 1541 Q HA 0.779 4.966 4.340 -0.256 0.000 0.281 1541 Q C -1.437 174.628 176.000 0.107 0.000 1.067 1541 Q CA -0.506 55.326 55.803 0.048 0.000 0.809 1541 Q CB 2.606 31.335 28.738 -0.015 0.000 1.418 1541 Q HN 0.947 nan 8.270 nan 0.000 0.411 1542 V N 1.273 121.257 119.914 0.117 0.000 2.823 1542 V HA 0.828 4.794 4.120 -0.256 0.000 0.312 1542 V C -0.866 175.317 176.094 0.148 0.000 1.072 1542 V CA -0.573 61.842 62.300 0.192 0.000 0.937 1542 V CB 2.035 34.003 31.823 0.242 0.000 1.013 1542 V HN 0.617 nan 8.190 nan 0.000 0.430 1543 V N 2.615 122.647 119.914 0.197 0.000 3.160 1543 V HA 0.738 4.705 4.120 -0.256 0.000 0.310 1543 V C -0.740 175.478 176.094 0.207 0.000 1.181 1543 V CA -0.787 61.613 62.300 0.167 0.000 1.047 1543 V CB 1.895 33.788 31.823 0.117 0.000 1.068 1543 V HN 0.981 nan 8.190 nan 0.000 0.441 1544 E N 1.710 122.001 120.200 0.152 0.000 2.183 1544 E HA 0.534 4.730 4.350 -0.256 0.000 0.271 1544 E C -0.886 175.744 176.600 0.050 0.000 0.919 1544 E CA -0.991 55.474 56.400 0.109 0.000 0.781 1544 E CB 1.675 31.426 29.700 0.085 0.000 1.140 1544 E HN 0.705 nan 8.360 nan 0.000 0.402 1545 M N 3.567 123.149 119.600 -0.029 0.000 2.267 1545 M HA 0.226 4.552 4.480 -0.256 0.000 0.303 1545 M C -1.731 174.454 176.300 -0.191 0.000 1.164 1545 M CA -2.374 52.768 55.300 -0.263 0.000 1.060 1545 M CB -0.342 31.912 32.600 -0.576 0.000 1.455 1545 M HN 0.355 nan 8.290 nan 0.000 0.483 1546 P HA -0.141 nan 4.420 nan 0.000 0.217 1546 P C 0.685 177.990 177.300 0.009 0.000 1.148 1546 P CA 1.445 64.500 63.100 -0.076 0.000 0.828 1546 P CB -0.089 31.586 31.700 -0.041 0.000 0.783 1547 N N -1.722 117.013 118.700 0.057 0.000 2.280 1547 N HA 0.078 4.665 4.740 -0.256 0.000 0.192 1547 N C 1.215 176.781 175.510 0.094 0.000 1.109 1547 N CA 0.812 53.930 53.050 0.114 0.000 0.855 1547 N CB -0.369 38.241 38.487 0.205 0.000 0.974 1547 N HN 0.204 nan 8.380 nan 0.000 0.482 1548 G N -0.039 108.802 108.800 0.069 0.000 2.213 1548 G HA2 -0.294 3.512 3.960 -0.256 0.000 0.226 1548 G HA3 -0.294 3.512 3.960 -0.256 0.000 0.226 1548 G C -0.195 174.758 174.900 0.089 0.000 0.992 1548 G CA 0.112 45.257 45.100 0.074 0.000 0.632 1548 G HN 0.609 nan 8.290 nan 0.000 0.511 1549 Q N 0.646 120.523 119.800 0.129 0.000 2.349 1549 Q HA 0.453 4.639 4.340 -0.256 0.000 0.287 1549 Q C 0.266 176.326 176.000 0.099 0.000 1.044 1549 Q CA 0.163 56.053 55.803 0.145 0.000 0.918 1549 Q CB 0.220 29.137 28.738 0.299 0.000 1.242 1549 Q HN 0.502 nan 8.270 nan 0.000 0.405 1550 L N 3.461 124.719 121.223 0.059 0.000 2.334 1550 L HA 0.526 4.713 4.340 -0.256 0.000 0.275 1550 L C -0.223 176.835 176.870 0.313 0.000 1.036 1550 L CA -0.866 54.070 54.840 0.160 0.000 0.807 1550 L CB 1.392 43.522 42.059 0.118 0.000 1.231 1550 L HN 0.508 nan 8.230 nan 0.000 0.438 1551 K N 3.158 123.816 120.400 0.430 0.000 2.463 1551 K HA 0.473 4.639 4.320 -0.256 0.000 0.255 1551 K C -1.365 175.564 176.600 0.548 0.000 0.942 1551 K CA -0.740 55.867 56.287 0.533 0.000 0.814 1551 K CB 2.651 35.567 32.500 0.694 0.000 1.122 1551 K HN 0.273 nan 8.250 nan 0.000 0.425 1552 L N 4.144 125.594 121.223 0.378 0.000 2.280 1552 L HA 0.444 4.630 4.340 -0.256 0.000 0.287 1552 L C -1.233 175.755 176.870 0.195 0.000 1.023 1552 L CA -0.366 54.576 54.840 0.170 0.000 0.819 1552 L CB 0.210 42.030 42.059 -0.398 0.000 1.212 1552 L HN 0.320 nan 8.230 nan 0.000 0.420 1553 F N 5.877 125.839 119.950 0.021 0.000 2.411 1553 F HA 0.573 4.946 4.527 -0.256 0.000 0.350 1553 F C 0.202 175.991 175.800 -0.019 0.000 1.114 1553 F CA -0.304 57.716 58.000 0.034 0.000 1.135 1553 F CB 1.106 40.173 39.000 0.111 0.000 1.120 1553 F HN 0.342 nan 8.300 nan 0.000 0.495 1554 M N 3.650 123.298 119.600 0.080 0.000 2.327 1554 M HA 0.393 4.719 4.480 -0.256 0.000 0.298 1554 M C -0.167 176.123 176.300 -0.016 0.000 1.065 1554 M CA -0.785 54.505 55.300 -0.016 0.000 0.916 1554 M CB 2.659 35.213 32.600 -0.076 0.000 1.630 1554 M HN 0.473 nan 8.290 nan 0.000 0.442 1555 R N 2.715 123.170 120.500 -0.074 0.000 2.623 1555 R HA 0.259 4.446 4.340 -0.256 0.000 0.271 1555 R C -0.767 175.547 176.300 0.023 0.000 1.043 1555 R CA 0.661 56.721 56.100 -0.066 0.000 1.083 1555 R CB 0.364 30.526 30.300 -0.231 0.000 0.974 1555 R HN 0.986 nan 8.270 nan 0.000 0.436 1556 N N 1.550 120.330 118.700 0.133 0.000 3.378 1556 N HA 0.130 4.716 4.740 -0.256 0.000 0.294 1556 N C -0.813 174.766 175.510 0.114 0.000 1.544 1556 N CA -0.918 52.207 53.050 0.124 0.000 0.872 1556 N CB 0.696 39.210 38.487 0.045 0.000 1.670 1556 N HN 0.415 nan 8.380 nan 0.000 0.551 1557 L N 0.335 121.551 121.223 -0.013 0.000 2.769 1557 L HA 0.287 4.473 4.340 -0.256 0.000 0.240 1557 L C 1.439 178.273 176.870 -0.061 0.000 1.163 1557 L CA 0.128 54.894 54.840 -0.124 0.000 0.962 1557 L CB 0.084 42.023 42.059 -0.201 0.000 1.258 1557 L HN 0.805 nan 8.230 nan 0.000 0.513 1558 S N -1.031 114.666 115.700 -0.004 0.000 2.496 1558 S HA 0.063 4.380 4.470 -0.256 0.000 0.224 1558 S C 1.662 176.271 174.600 0.015 0.000 0.996 1558 S CA 0.722 58.945 58.200 0.039 0.000 0.927 1558 S CB 0.304 63.562 63.200 0.096 0.000 0.774 1558 S HN 0.516 nan 8.310 nan 0.000 0.524 1559 G N -0.556 108.188 108.800 -0.093 0.000 2.217 1559 G HA2 -0.215 3.591 3.960 -0.256 0.000 0.246 1559 G HA3 -0.215 3.591 3.960 -0.256 0.000 0.246 1559 G C -0.114 174.411 174.900 -0.624 0.000 0.990 1559 G CA 0.361 45.263 45.100 -0.330 0.000 0.627 1559 G HN 0.576 nan 8.290 nan 0.000 0.522 1560 Y N -1.175 119.116 120.300 -0.015 0.000 2.609 1560 Y HA 0.692 5.088 4.550 -0.256 0.000 0.342 1560 Y C 0.295 176.171 175.900 -0.040 0.000 1.058 1560 Y CA -1.193 56.886 58.100 -0.035 0.000 1.055 1560 Y CB 1.155 39.591 38.460 -0.041 0.000 1.292 1560 Y HN 0.259 nan 8.280 nan 0.000 0.476 1561 L N 2.633 123.914 121.223 0.096 0.000 2.514 1561 L HA 0.165 4.352 4.340 -0.256 0.000 0.280 1561 L C -0.814 176.048 176.870 -0.013 0.000 1.223 1561 L CA 0.306 55.148 54.840 0.003 0.000 0.864 1561 L CB -0.142 41.839 42.059 -0.131 0.000 1.118 1561 L HN 0.593 nan 8.230 nan 0.000 0.494 1562 N N 4.868 123.544 118.700 -0.040 0.000 2.319 1562 N HA 0.644 5.230 4.740 -0.256 0.000 0.305 1562 N C -1.250 174.174 175.510 -0.142 0.000 1.103 1562 N CA -0.265 52.748 53.050 -0.062 0.000 0.815 1562 N CB 1.756 40.225 38.487 -0.030 0.000 1.288 1562 N HN 0.523 nan 8.380 nan 0.000 0.493 1563 I N 0.827 121.314 120.570 -0.139 0.000 2.499 1563 I HA 0.608 4.624 4.170 -0.256 0.000 0.288 1563 I C -0.432 175.665 176.117 -0.033 0.000 1.048 1563 I CA -0.943 60.252 61.300 -0.175 0.000 1.062 1563 I CB 1.936 39.773 38.000 -0.273 0.000 1.238 1563 I HN 0.427 nan 8.210 nan 0.000 0.426 1564 A N 3.963 126.770 122.820 -0.023 0.000 2.311 1564 A HA 0.920 5.087 4.320 -0.256 0.000 0.334 1564 A C -0.424 177.342 177.584 0.302 0.000 1.139 1564 A CA -0.471 51.603 52.037 0.062 0.000 0.830 1564 A CB 1.402 20.286 19.000 -0.194 0.000 1.234 1564 A HN 0.612 nan 8.150 nan 0.000 0.483 1565 T N 1.085 115.861 114.554 0.371 0.000 2.824 1565 T HA 0.581 4.777 4.350 -0.256 0.000 0.282 1565 T C -0.459 174.175 174.700 -0.109 0.000 0.993 1565 T CA -0.312 61.898 62.100 0.182 0.000 0.967 1565 T CB 1.346 70.206 68.868 -0.014 0.000 0.960 1565 T HN 0.744 nan 8.240 nan 0.000 0.441 1566 S N 1.515 116.962 115.700 -0.420 0.000 2.502 1566 S HA 0.571 4.888 4.470 -0.256 0.000 0.304 1566 S C -0.286 173.923 174.600 -0.651 0.000 1.097 1566 S CA -0.730 56.935 58.200 -0.890 0.000 1.045 1566 S CB 0.309 62.624 63.200 -1.475 0.000 1.019 1566 S HN 0.513 nan 8.310 nan 0.000 0.481 1567 F N 2.046 121.850 119.950 -0.243 0.000 2.727 1567 F HA 0.264 4.638 4.527 -0.255 0.000 0.302 1567 F C 1.042 176.768 175.800 -0.123 0.000 1.097 1567 F CA -0.444 57.471 58.000 -0.143 0.000 1.330 1567 F CB 0.216 39.134 39.000 -0.136 0.000 1.084 1567 F HN 0.583 nan 8.300 nan 0.000 0.578 1568 D N -1.729 118.606 120.400 -0.110 0.000 2.819 1568 D HA 0.288 4.775 4.640 -0.256 0.000 0.326 1568 D C 1.289 177.341 176.300 -0.413 0.000 1.408 1568 D CA -0.205 53.731 54.000 -0.107 0.000 0.811 1568 D CB -0.068 40.682 40.800 -0.083 0.000 1.148 1568 D HN 0.151 nan 8.370 nan 0.000 0.457 1569 G N -0.209 108.353 108.800 -0.397 0.000 2.176 1569 G HA2 -0.003 3.803 3.960 -0.256 0.000 0.252 1569 G HA3 -0.003 3.803 3.960 -0.256 0.000 0.252 1569 G C 1.163 175.666 174.900 -0.663 0.000 1.024 1569 G CA 0.420 45.169 45.100 -0.584 0.000 0.755 1569 G HN 1.500 nan 8.290 nan 0.000 0.507 1570 G N -1.922 106.488 108.800 -0.650 0.000 2.176 1570 G HA2 0.122 3.928 3.960 -0.256 0.000 0.232 1570 G HA3 0.122 3.928 3.960 -0.256 0.000 0.232 1570 G C 1.508 176.180 174.900 -0.379 0.000 0.986 1570 G CA 1.187 45.959 45.100 -0.547 0.000 0.643 1570 G HN 2.020 nan 8.290 nan 0.000 0.522 1571 A N -0.578 121.985 122.820 -0.428 0.000 1.930 1571 A HA 0.484 4.650 4.320 -0.256 0.000 0.217 1571 A C 1.634 179.156 177.584 -0.103 0.000 1.175 1571 A CA 2.679 54.642 52.037 -0.123 0.000 0.627 1571 A CB -0.219 18.709 19.000 -0.121 0.000 0.815 1571 A HN 2.027 nan 8.150 nan 0.000 0.443 1572 T N -6.077 108.272 114.554 -0.341 0.000 2.816 1572 T HA 0.562 4.758 4.350 -0.256 0.000 0.299 1572 T C -1.382 172.924 174.700 -0.657 0.000 1.230 1572 T CA -0.849 61.107 62.100 -0.241 0.000 1.007 1572 T CB 0.994 69.828 68.868 -0.058 0.000 1.289 1572 T HN 0.341 nan 8.240 nan 0.000 0.508 1573 W N 0.074 121.364 121.300 -0.016 0.000 2.864 1573 W HA 0.576 5.083 4.660 -0.255 0.000 0.343 1573 W C -0.305 176.165 176.519 -0.081 0.000 1.109 1573 W CA -0.564 56.729 57.345 -0.086 0.000 1.192 1573 W CB 1.091 30.529 29.460 -0.037 0.000 1.426 1573 W HN 0.943 nan 8.180 nan 0.000 0.529 1574 D N 1.370 121.771 120.400 0.001 0.000 2.449 1574 D HA -0.084 4.403 4.640 -0.256 0.000 0.236 1574 D C 1.484 177.865 176.300 0.135 0.000 1.149 1574 D CA 0.579 54.602 54.000 0.039 0.000 0.878 1574 D CB 1.074 41.826 40.800 -0.081 0.000 1.198 1574 D HN 0.628 nan 8.370 nan 0.000 0.446 1575 E N 0.570 120.851 120.200 0.135 0.000 2.338 1575 E HA -0.093 4.104 4.350 -0.256 0.000 0.197 1575 E C -0.058 176.613 176.600 0.118 0.000 1.007 1575 E CA 0.540 57.014 56.400 0.124 0.000 0.849 1575 E CB -0.081 29.684 29.700 0.108 0.000 0.774 1575 E HN 0.209 nan 8.360 nan 0.000 0.506 1576 T N 1.879 116.516 114.554 0.139 0.000 2.744 1576 T HA 0.335 4.532 4.350 -0.256 0.000 0.291 1576 T C -0.592 174.177 174.700 0.115 0.000 0.957 1576 T CA -0.591 61.584 62.100 0.126 0.000 1.002 1576 T CB 1.792 70.753 68.868 0.154 0.000 0.919 1576 T HN -0.068 nan 8.240 nan 0.000 0.468 1577 V N 4.859 124.818 119.914 0.076 0.000 2.406 1577 V HA 0.223 4.190 4.120 -0.256 0.000 0.272 1577 V C 0.586 176.706 176.094 0.043 0.000 1.043 1577 V CA -0.648 61.681 62.300 0.048 0.000 0.915 1577 V CB 0.922 32.754 31.823 0.014 0.000 0.988 1577 V HN 0.834 nan 8.190 nan 0.000 0.466 1578 E N 3.660 123.886 120.200 0.043 0.000 2.343 1578 E HA 0.322 4.518 4.350 -0.256 0.000 0.269 1578 E C -0.302 176.301 176.600 0.005 0.000 1.047 1578 E CA -0.489 55.931 56.400 0.033 0.000 0.874 1578 E CB 1.396 31.128 29.700 0.052 0.000 1.033 1578 E HN 0.491 nan 8.360 nan 0.000 0.409 1579 K N 2.435 122.836 120.400 0.002 0.000 2.274 1579 K HA 0.107 4.273 4.320 -0.256 0.000 0.262 1579 K C -1.258 175.327 176.600 -0.025 0.000 0.961 1579 K CA -0.566 55.718 56.287 -0.004 0.000 0.833 1579 K CB 1.024 33.523 32.500 -0.002 0.000 1.102 1579 K HN 0.314 nan 8.250 nan 0.000 0.436 1580 D N 3.466 123.857 120.400 -0.015 0.000 2.454 1580 D HA 0.039 4.526 4.640 -0.256 0.000 0.225 1580 D C 0.611 176.876 176.300 -0.060 0.000 1.081 1580 D CA -0.258 53.737 54.000 -0.008 0.000 0.864 1580 D CB 1.404 42.232 40.800 0.048 0.000 1.040 1580 D HN 0.694 nan 8.370 nan 0.000 0.517 1581 T N 0.429 114.860 114.554 -0.206 0.000 3.160 1581 T HA -0.010 4.187 4.350 -0.256 0.000 0.257 1581 T C 1.064 175.664 174.700 -0.168 0.000 1.147 1581 T CA 0.097 61.894 62.100 -0.505 0.000 1.064 1581 T CB 0.011 68.461 68.868 -0.697 0.000 0.949 1581 T HN 0.192 nan 8.240 nan 0.000 0.526 1582 N N 1.096 119.772 118.700 -0.039 0.000 2.494 1582 N HA 0.058 4.645 4.740 -0.256 0.000 0.182 1582 N C -0.211 175.266 175.510 -0.056 0.000 1.076 1582 N CA 0.313 53.366 53.050 0.004 0.000 0.908 1582 N CB 0.484 39.029 38.487 0.096 0.000 0.967 1582 N HN 0.340 nan 8.380 nan 0.000 0.449 1583 V N 2.418 122.296 119.914 -0.060 0.000 2.340 1583 V HA 0.279 4.246 4.120 -0.256 0.000 0.277 1583 V C 0.233 176.339 176.094 0.019 0.000 1.017 1583 V CA -0.657 61.528 62.300 -0.191 0.000 0.820 1583 V CB 1.741 33.224 31.823 -0.567 0.000 1.028 1583 V HN 0.039 nan 8.190 nan 0.000 0.436 1584 L N 3.576 124.800 121.223 0.003 0.000 2.506 1584 L HA 0.296 4.483 4.340 -0.256 0.000 0.281 1584 L C 0.594 177.409 176.870 -0.092 0.000 1.228 1584 L CA 0.615 55.382 54.840 -0.122 0.000 0.850 1584 L CB 0.408 42.388 42.059 -0.133 0.000 1.110 1584 L HN 0.562 nan 8.230 nan 0.000 0.496 1585 E N 5.133 125.247 120.200 -0.143 0.000 2.502 1585 E HA 0.227 4.424 4.350 -0.256 0.000 0.261 1585 E C -2.315 174.249 176.600 -0.060 0.000 0.974 1585 E CA -1.810 54.560 56.400 -0.049 0.000 0.795 1585 E CB 1.646 31.345 29.700 -0.002 0.000 1.385 1585 E HN 0.213 nan 8.360 nan 0.000 0.400 1586 P HA 0.034 nan 4.420 nan 0.000 0.256 1586 P C -0.373 176.988 177.300 0.102 0.000 1.335 1586 P CA -0.228 62.866 63.100 -0.009 0.000 0.808 1586 P CB -0.521 31.166 31.700 -0.023 0.000 1.305 1587 Y N -1.742 118.515 120.300 -0.071 0.000 3.101 1587 Y HA -0.199 4.198 4.550 -0.255 0.000 0.165 1587 Y C -0.969 174.898 175.900 -0.056 0.000 1.901 1587 Y CA -0.495 57.569 58.100 -0.060 0.000 1.173 1587 Y CB -1.912 36.526 38.460 -0.037 0.000 1.568 1587 Y HN 0.340 nan 8.280 nan 0.000 0.405 1588 C N 3.292 122.474 119.300 -0.197 0.000 3.173 1588 C HA 0.559 4.865 4.460 -0.256 0.000 0.310 1588 C C 0.052 174.794 174.990 -0.413 0.000 1.306 1588 C CA -0.634 58.226 59.018 -0.263 0.000 1.426 1588 C CB 1.504 29.176 27.740 -0.112 0.000 1.800 1588 C HN 0.673 nan 8.230 nan 0.000 0.470 1589 Q N 1.772 121.107 119.800 -0.775 0.000 2.428 1589 Q HA 0.358 4.544 4.340 -0.256 0.000 0.276 1589 Q C -1.029 174.684 176.000 -0.479 0.000 1.059 1589 Q CA 0.652 55.958 55.803 -0.829 0.000 0.923 1589 Q CB 0.778 28.519 28.738 -1.661 0.000 1.283 1589 Q HN 0.708 nan 8.270 nan 0.000 0.447 1590 L N -0.528 120.479 121.223 -0.359 0.000 2.327 1590 L HA 0.754 4.941 4.340 -0.256 0.000 0.258 1590 L C -0.643 176.034 176.870 -0.322 0.000 1.024 1590 L CA -0.843 53.792 54.840 -0.341 0.000 0.825 1590 L CB 1.783 43.681 42.059 -0.269 0.000 1.386 1590 L HN 0.421 nan 8.230 nan 0.000 0.417 1591 S N 0.072 115.518 115.700 -0.423 0.000 2.526 1591 S HA 0.903 5.220 4.470 -0.256 0.000 0.293 1591 S C -1.415 172.964 174.600 -0.369 0.000 1.092 1591 S CA -0.448 57.581 58.200 -0.283 0.000 0.980 1591 S CB 1.722 64.826 63.200 -0.162 0.000 1.048 1591 S HN 1.045 nan 8.310 nan 0.000 0.483 1592 V N 6.312 126.091 119.914 -0.225 0.000 2.851 1592 V HA 0.775 4.741 4.120 -0.256 0.000 0.307 1592 V C -1.318 174.712 176.094 -0.107 0.000 1.129 1592 V CA -0.761 61.411 62.300 -0.214 0.000 0.932 1592 V CB 1.719 33.216 31.823 -0.543 0.000 1.024 1592 V HN 0.943 nan 8.190 nan 0.000 0.426 1593 I N 2.222 122.781 120.570 -0.018 0.000 2.865 1593 I HA 0.655 4.672 4.170 -0.256 0.000 0.302 1593 I C -0.494 175.684 176.117 0.102 0.000 1.140 1593 I CA -0.977 60.358 61.300 0.057 0.000 1.021 1593 I CB 2.389 40.448 38.000 0.099 0.000 1.233 1593 I HN 0.550 nan 8.210 nan 0.000 0.427 1594 N N 2.248 121.018 118.700 0.118 0.000 2.479 1594 N HA 0.218 4.804 4.740 -0.256 0.000 0.257 1594 N C -1.431 174.196 175.510 0.195 0.000 1.232 1594 N CA 0.070 53.209 53.050 0.147 0.000 0.920 1594 N CB 0.405 38.958 38.487 0.110 0.000 1.105 1594 N HN 0.546 nan 8.380 nan 0.000 0.444 1595 Y N 0.582 120.924 120.300 0.071 0.000 2.387 1595 Y HA 0.243 4.642 4.550 -0.250 0.000 0.336 1595 Y C 1.215 177.144 175.900 0.049 0.000 1.067 1595 Y CA -0.978 57.159 58.100 0.061 0.000 1.114 1595 Y CB 1.179 39.684 38.460 0.074 0.000 1.208 1595 Y HN 0.670 nan 8.280 nan 0.000 0.458 1596 S N 2.282 117.627 115.700 -0.592 0.000 2.489 1596 S HA 0.104 4.421 4.470 -0.256 0.000 0.228 1596 S C 0.045 174.462 174.600 -0.303 0.000 0.995 1596 S CA 0.203 58.192 58.200 -0.352 0.000 0.934 1596 S CB -0.034 62.982 63.200 -0.307 0.000 0.771 1596 S HN 0.631 nan 8.310 nan 0.000 0.522 1597 Q N 1.363 120.900 119.800 -0.438 0.000 2.348 1597 Q HA 0.473 4.660 4.340 -0.256 0.000 0.271 1597 Q C -0.649 175.412 176.000 0.103 0.000 1.067 1597 Q CA -0.753 54.977 55.803 -0.121 0.000 0.839 1597 Q CB 1.254 29.941 28.738 -0.085 0.000 1.354 1597 Q HN 0.204 nan 8.270 nan 0.000 0.447 1598 K N 0.741 121.197 120.400 0.092 0.000 2.355 1598 K HA 0.309 4.476 4.320 -0.256 0.000 0.270 1598 K C -0.316 176.382 176.600 0.163 0.000 1.003 1598 K CA -0.192 56.166 56.287 0.120 0.000 0.957 1598 K CB 0.461 33.007 32.500 0.077 0.000 0.939 1598 K HN 0.298 nan 8.250 nan 0.000 0.482 1599 V N 2.700 122.709 119.914 0.157 0.000 2.483 1599 V HA 0.052 4.019 4.120 -0.256 0.000 0.297 1599 V C -0.515 175.659 176.094 0.133 0.000 1.027 1599 V CA -0.714 61.674 62.300 0.145 0.000 0.855 1599 V CB 1.407 33.322 31.823 0.152 0.000 0.995 1599 V HN 0.797 nan 8.190 nan 0.000 0.424 1600 D N 3.941 124.413 120.400 0.119 0.000 2.811 1600 D HA -0.195 4.292 4.640 -0.256 0.000 0.231 1600 D C 1.336 177.680 176.300 0.074 0.000 1.157 1600 D CA 1.881 55.944 54.000 0.105 0.000 0.716 1600 D CB -1.180 39.702 40.800 0.138 0.000 1.077 1600 D HN 1.504 nan 8.370 nan 0.000 0.428 1601 G N -1.463 107.378 108.800 0.068 0.000 2.162 1601 G HA2 -0.344 3.462 3.960 -0.256 0.000 0.260 1601 G HA3 -0.344 3.462 3.960 -0.256 0.000 0.260 1601 G C 0.246 175.177 174.900 0.051 0.000 0.976 1601 G CA 0.763 45.895 45.100 0.052 0.000 0.655 1601 G HN 0.392 nan 8.290 nan 0.000 0.533 1602 K N 0.637 121.075 120.400 0.063 0.000 2.328 1602 K HA 0.440 4.607 4.320 -0.256 0.000 0.246 1602 K C -0.485 176.157 176.600 0.070 0.000 0.955 1602 K CA -0.909 55.410 56.287 0.054 0.000 0.817 1602 K CB 1.381 33.906 32.500 0.042 0.000 1.208 1602 K HN 0.123 nan 8.250 nan 0.000 0.432 1603 D N 0.898 121.330 120.400 0.053 0.000 2.399 1603 D HA 0.322 4.808 4.640 -0.256 0.000 0.241 1603 D C -0.300 176.054 176.300 0.091 0.000 1.133 1603 D CA 0.297 54.336 54.000 0.065 0.000 0.890 1603 D CB 1.091 41.904 40.800 0.021 0.000 1.201 1603 D HN 0.516 nan 8.370 nan 0.000 0.432 1604 A N 0.851 123.763 122.820 0.152 0.000 2.515 1604 A HA 0.657 4.823 4.320 -0.256 0.000 0.296 1604 A C -0.544 177.179 177.584 0.233 0.000 1.094 1604 A CA -0.717 51.432 52.037 0.187 0.000 0.718 1604 A CB 1.628 20.754 19.000 0.210 0.000 1.307 1604 A HN 0.368 nan 8.150 nan 0.000 0.408 1605 V N -1.048 119.007 119.914 0.235 0.000 3.046 1605 V HA 0.850 4.816 4.120 -0.256 0.000 0.316 1605 V C -0.833 175.405 176.094 0.240 0.000 1.104 1605 V CA -0.964 61.477 62.300 0.235 0.000 1.006 1605 V CB 1.736 33.690 31.823 0.217 0.000 1.058 1605 V HN 0.683 nan 8.190 nan 0.000 0.440 1606 I N 2.506 123.203 120.570 0.211 0.000 2.474 1606 I HA 0.596 4.613 4.170 -0.256 0.000 0.294 1606 I C -0.822 175.429 176.117 0.225 0.000 1.005 1606 I CA -0.344 61.077 61.300 0.202 0.000 1.113 1606 I CB 1.470 39.534 38.000 0.107 0.000 1.289 1606 I HN 0.866 nan 8.210 nan 0.000 0.436 1607 F N 4.283 124.280 119.950 0.078 0.000 2.565 1607 F HA 0.637 5.011 4.527 -0.254 0.000 0.313 1607 F C -0.491 175.281 175.800 -0.046 0.000 1.091 1607 F CA -0.340 57.642 58.000 -0.029 0.000 0.915 1607 F CB 1.931 40.864 39.000 -0.111 0.000 1.208 1607 F HN 0.439 nan 8.300 nan 0.000 0.453 1608 S N 5.770 121.038 115.700 -0.720 0.000 2.571 1608 S HA 0.741 5.057 4.470 -0.256 0.000 0.284 1608 S C -1.620 172.614 174.600 -0.610 0.000 1.128 1608 S CA -0.450 57.494 58.200 -0.426 0.000 0.970 1608 S CB 1.105 64.225 63.200 -0.132 0.000 1.039 1608 S HN 1.050 nan 8.310 nan 0.000 0.485 1609 N N 2.695 121.241 118.700 -0.257 0.000 3.261 1609 N HA 0.484 5.070 4.740 -0.256 0.000 0.248 1609 N C -3.667 171.851 175.510 0.013 0.000 1.498 1609 N CA -1.337 51.669 53.050 -0.073 0.000 0.884 1609 N CB 0.709 39.098 38.487 -0.162 0.000 1.428 1609 N HN 0.327 nan 8.380 nan 0.000 0.517 1610 P HA 0.221 nan 4.420 nan 0.000 0.287 1610 P C -0.672 176.594 177.300 -0.058 0.000 1.307 1610 P CA -0.093 63.001 63.100 -0.010 0.000 0.777 1610 P CB -0.073 31.652 31.700 0.042 0.000 0.883 1611 N N 2.959 121.596 118.700 -0.105 0.000 3.124 1611 N HA 0.419 5.005 4.740 -0.256 0.000 0.284 1611 N C -0.896 174.569 175.510 -0.076 0.000 1.209 1611 N CA -0.113 52.889 53.050 -0.080 0.000 1.149 1611 N CB -0.683 37.748 38.487 -0.093 0.000 1.434 1611 N HN 0.412 nan 8.380 nan 0.000 0.529 1612 A N 1.558 124.335 122.820 -0.072 0.000 2.511 1612 A HA 0.470 4.637 4.320 -0.256 0.000 0.293 1612 A C 0.100 177.637 177.584 -0.078 0.000 1.098 1612 A CA -0.743 51.254 52.037 -0.067 0.000 0.643 1612 A CB 0.596 19.561 19.000 -0.058 0.000 1.302 1612 A HN 0.433 nan 8.150 nan 0.000 0.446 1613 R N 0.142 120.601 120.500 -0.068 0.000 2.310 1613 R HA 0.312 4.498 4.340 -0.256 0.000 0.202 1613 R C 0.498 176.776 176.300 -0.037 0.000 0.933 1613 R CA 1.017 57.077 56.100 -0.068 0.000 1.054 1613 R CB -0.719 29.545 30.300 -0.061 0.000 0.985 1613 R HN 0.964 nan 8.270 nan 0.000 0.489 1614 S N -0.822 114.859 115.700 -0.032 0.000 2.732 1614 S HA 0.489 4.806 4.470 -0.256 0.000 0.293 1614 S C -0.515 174.056 174.600 -0.048 0.000 1.159 1614 S CA -1.268 56.921 58.200 -0.019 0.000 0.847 1614 S CB 1.388 64.586 63.200 -0.003 0.000 1.169 1614 S HN 0.139 nan 8.310 nan 0.000 0.501 1615 R N 1.681 122.132 120.500 -0.082 0.000 3.268 1615 R HA 0.436 4.623 4.340 -0.256 0.000 0.217 1615 R C -0.183 175.961 176.300 -0.261 0.000 1.568 1615 R CA 0.034 56.017 56.100 -0.196 0.000 1.322 1615 R CB -0.403 29.709 30.300 -0.312 0.000 1.280 1615 R HN 0.790 nan 8.270 nan 0.000 0.667 1616 S N -0.078 115.555 115.700 -0.113 0.000 2.643 1616 S HA 0.275 4.592 4.470 -0.256 0.000 0.270 1616 S C -0.309 174.238 174.600 -0.088 0.000 1.166 1616 S CA -1.104 57.054 58.200 -0.070 0.000 0.815 1616 S CB 1.273 64.454 63.200 -0.033 0.000 1.139 1616 S HN 0.473 nan 8.310 nan 0.000 0.472 1617 N N -0.172 118.464 118.700 -0.106 0.000 2.746 1617 N HA -0.102 4.484 4.740 -0.256 0.000 0.250 1617 N C 0.086 175.400 175.510 -0.326 0.000 1.055 1617 N CA 0.990 53.942 53.050 -0.163 0.000 0.699 1617 N CB -1.311 37.110 38.487 -0.110 0.000 0.919 1617 N HN 1.299 nan 8.380 nan 0.000 0.548 1618 G N 0.762 109.202 108.800 -0.601 0.000 2.313 1618 G HA2 0.405 4.212 3.960 -0.256 0.000 0.250 1618 G HA3 0.405 4.212 3.960 -0.256 0.000 0.250 1618 G C -0.251 174.142 174.900 -0.846 0.000 1.281 1618 G CA 0.513 44.749 45.100 -1.439 0.000 0.917 1618 G HN 0.313 nan 8.290 nan 0.000 0.501 1619 T N 1.472 115.667 114.554 -0.600 0.000 2.881 1619 T HA 0.421 4.618 4.350 -0.256 0.000 0.290 1619 T C -0.326 174.276 174.700 -0.164 0.000 1.000 1619 T CA -0.375 61.556 62.100 -0.282 0.000 0.978 1619 T CB 1.923 70.685 68.868 -0.175 0.000 0.997 1619 T HN 0.338 nan 8.240 nan 0.000 0.443 1620 V N 4.437 124.298 119.914 -0.088 0.000 2.435 1620 V HA 0.585 4.552 4.120 -0.256 0.000 0.290 1620 V C 0.047 176.182 176.094 0.069 0.000 1.030 1620 V CA -0.806 61.496 62.300 0.004 0.000 0.881 1620 V CB 1.478 33.311 31.823 0.016 0.000 0.983 1620 V HN 0.721 nan 8.190 nan 0.000 0.445 1621 R N 4.386 124.987 120.500 0.168 0.000 2.803 1621 R HA 0.720 4.906 4.340 -0.256 0.000 0.276 1621 R C -1.288 175.223 176.300 0.352 0.000 0.978 1621 R CA -0.825 55.425 56.100 0.250 0.000 0.939 1621 R CB 2.498 32.927 30.300 0.215 0.000 1.179 1621 R HN 0.553 nan 8.270 nan 0.000 0.472 1622 I N 1.100 121.898 120.570 0.380 0.000 2.330 1622 I HA 0.334 4.351 4.170 -0.256 0.000 0.289 1622 I C 0.357 176.698 176.117 0.374 0.000 1.001 1622 I CA -0.520 60.986 61.300 0.344 0.000 1.193 1622 I CB 1.973 40.141 38.000 0.280 0.000 1.345 1622 I HN 0.697 nan 8.210 nan 0.000 0.461 1623 G N 7.505 116.452 108.800 0.244 0.000 2.370 1623 G HA2 0.622 4.429 3.960 -0.256 0.000 0.317 1623 G HA3 0.622 4.429 3.960 -0.256 0.000 0.317 1623 G C -0.540 174.322 174.900 -0.064 0.000 1.162 1623 G CA -0.509 44.422 45.100 -0.282 0.000 0.922 1623 G HN 0.431 nan 8.290 nan 0.000 0.454 1624 L N 2.636 123.803 121.223 -0.094 0.000 2.326 1624 L HA 0.422 4.608 4.340 -0.256 0.000 0.278 1624 L C 0.147 176.961 176.870 -0.094 0.000 1.092 1624 L CA -0.621 54.201 54.840 -0.031 0.000 0.810 1624 L CB 1.538 43.584 42.059 -0.023 0.000 1.153 1624 L HN 0.319 nan 8.230 nan 0.000 0.439 1625 I N 3.625 124.148 120.570 -0.078 0.000 2.342 1625 I HA 0.225 4.242 4.170 -0.256 0.000 0.291 1625 I C -0.110 175.955 176.117 -0.086 0.000 1.010 1625 I CA -0.128 61.061 61.300 -0.186 0.000 1.308 1625 I CB 0.734 38.618 38.000 -0.193 0.000 1.400 1625 I HN 0.601 nan 8.210 nan 0.000 0.488 1626 N N 5.904 124.550 118.700 -0.090 0.000 2.258 1626 N HA 0.211 4.798 4.740 -0.256 0.000 0.299 1626 N C -1.124 174.401 175.510 0.024 0.000 1.047 1626 N CA -0.669 52.369 53.050 -0.019 0.000 0.814 1626 N CB 2.515 40.967 38.487 -0.058 0.000 1.413 1626 N HN 0.580 nan 8.380 nan 0.000 0.478 1627 Q N 1.244 121.066 119.800 0.035 0.000 2.286 1627 Q HA 0.315 4.501 4.340 -0.256 0.000 0.257 1627 Q C -0.493 175.430 176.000 -0.129 0.000 0.941 1627 Q CA -0.445 55.284 55.803 -0.123 0.000 0.912 1627 Q CB 0.719 29.340 28.738 -0.196 0.000 1.192 1627 Q HN 0.483 nan 8.270 nan 0.000 0.410 1628 V N 2.343 122.155 119.914 -0.170 0.000 2.266 1628 V HA 0.724 4.691 4.120 -0.256 0.000 0.266 1628 V C 0.360 176.352 176.094 -0.170 0.000 1.036 1628 V CA 0.194 62.409 62.300 -0.141 0.000 0.828 1628 V CB -0.093 31.655 31.823 -0.124 0.000 1.081 1628 V HN 1.056 nan 8.190 nan 0.000 0.449 1629 G N 3.810 112.518 108.800 -0.153 0.000 2.569 1629 G HA2 0.003 3.810 3.960 -0.256 0.000 0.259 1629 G HA3 0.003 3.810 3.960 -0.256 0.000 0.259 1629 G C 0.092 174.880 174.900 -0.187 0.000 1.263 1629 G CA 0.509 45.520 45.100 -0.148 0.000 0.928 1629 G HN 2.266 nan 8.290 nan 0.000 0.572 1630 T N -3.077 111.377 114.554 -0.167 0.000 2.896 1630 T HA 0.667 4.864 4.350 -0.256 0.000 0.297 1630 T C -0.178 174.430 174.700 -0.153 0.000 1.108 1630 T CA -0.622 61.396 62.100 -0.138 0.000 1.004 1630 T CB 1.845 70.670 68.868 -0.071 0.000 1.159 1630 T HN 0.850 nan 8.240 nan 0.000 0.499 1631 Y N 0.926 121.184 120.300 -0.069 0.000 2.296 1631 Y HA 0.235 4.631 4.550 -0.257 0.000 0.343 1631 Y C 2.193 178.054 175.900 -0.065 0.000 1.292 1631 Y CA -0.151 57.925 58.100 -0.041 0.000 1.490 1631 Y CB 0.362 38.798 38.460 -0.041 0.000 1.359 1631 Y HN 0.818 nan 8.280 nan 0.000 0.599 1632 E N 0.428 120.716 120.200 0.148 0.000 2.160 1632 E HA -0.247 3.950 4.350 -0.256 0.000 0.195 1632 E C 1.295 177.904 176.600 0.015 0.000 0.991 1632 E CA 1.409 57.843 56.400 0.056 0.000 0.810 1632 E CB -0.213 29.522 29.700 0.057 0.000 0.742 1632 E HN 0.601 nan 8.360 nan 0.000 0.466 1633 N N -0.175 118.521 118.700 -0.007 0.000 2.521 1633 N HA -0.009 4.578 4.740 -0.256 0.000 0.188 1633 N C 1.136 176.576 175.510 -0.117 0.000 1.146 1633 N CA 0.964 53.956 53.050 -0.096 0.000 0.893 1633 N CB 0.417 38.784 38.487 -0.199 0.000 0.975 1633 N HN 0.210 nan 8.380 nan 0.000 0.451 1634 G N -1.012 107.748 108.800 -0.066 0.000 2.199 1634 G HA2 -0.278 3.529 3.960 -0.256 0.000 0.254 1634 G HA3 -0.278 3.529 3.960 -0.256 0.000 0.254 1634 G C -0.247 174.604 174.900 -0.082 0.000 0.982 1634 G CA 0.115 45.174 45.100 -0.068 0.000 0.632 1634 G HN 0.415 nan 8.290 nan 0.000 0.529 1635 E N 1.934 122.048 120.200 -0.142 0.000 2.398 1635 E HA 0.284 4.480 4.350 -0.256 0.000 0.263 1635 E C -2.113 174.521 176.600 0.057 0.000 1.046 1635 E CA -1.367 54.956 56.400 -0.128 0.000 0.908 1635 E CB 0.694 30.076 29.700 -0.530 0.000 0.963 1635 E HN 0.268 nan 8.360 nan 0.000 0.431 1636 P HA 0.030 nan 4.420 nan 0.000 0.268 1636 P C -0.478 176.743 177.300 -0.133 0.000 1.205 1636 P CA 0.185 63.169 63.100 -0.193 0.000 0.771 1636 P CB 0.505 31.937 31.700 -0.446 0.000 0.858 1637 K N 3.269 123.484 120.400 -0.308 0.000 2.263 1637 K HA 0.304 4.470 4.320 -0.256 0.000 0.272 1637 K C -1.076 175.324 176.600 -0.333 0.000 1.033 1637 K CA -0.549 55.562 56.287 -0.294 0.000 0.884 1637 K CB 0.267 32.439 32.500 -0.547 0.000 1.107 1637 K HN 0.314 nan 8.250 nan 0.000 0.460 1638 Y N 2.011 122.306 120.300 -0.008 0.000 2.387 1638 Y HA 0.311 4.708 4.550 -0.255 0.000 0.336 1638 Y C 0.054 175.816 175.900 -0.230 0.000 1.067 1638 Y CA -0.555 57.465 58.100 -0.133 0.000 1.114 1638 Y CB 1.689 40.062 38.460 -0.144 0.000 1.208 1638 Y HN 0.497 nan 8.280 nan 0.000 0.458 1639 E N 2.360 122.465 120.200 -0.159 0.000 2.288 1639 E HA 0.434 4.630 4.350 -0.256 0.000 0.268 1639 E C -1.665 174.673 176.600 -0.436 0.000 0.885 1639 E CA -0.926 55.339 56.400 -0.225 0.000 0.767 1639 E CB 2.230 31.862 29.700 -0.115 0.000 1.220 1639 E HN 0.367 nan 8.360 nan 0.000 0.427 1640 F N 1.113 120.964 119.950 -0.164 0.000 2.404 1640 F HA 0.212 4.588 4.527 -0.251 0.000 0.339 1640 F C 0.399 175.875 175.800 -0.541 0.000 1.105 1640 F CA -0.642 57.091 58.000 -0.444 0.000 1.087 1640 F CB 1.080 39.642 39.000 -0.730 0.000 1.143 1640 F HN 0.292 nan 8.300 nan 0.000 0.491 1641 D N 3.149 123.326 120.400 -0.372 0.000 2.441 1641 D HA 0.175 4.662 4.640 -0.256 0.000 0.231 1641 D C -1.318 174.778 176.300 -0.341 0.000 1.073 1641 D CA -0.613 53.215 54.000 -0.288 0.000 0.850 1641 D CB 0.381 41.083 40.800 -0.164 0.000 1.062 1641 D HN 0.367 nan 8.370 nan 0.000 0.524 1642 W N 4.825 126.139 121.300 0.023 0.000 1.836 1642 W HA 0.250 4.761 4.660 -0.250 0.000 0.449 1642 W C 1.713 178.187 176.519 -0.075 0.000 0.787 1642 W CA -0.677 56.664 57.345 -0.007 0.000 1.729 1642 W CB 0.607 30.045 29.460 -0.037 0.000 1.802 1642 W HN 0.434 nan 8.180 nan 0.000 0.257 1643 K N 1.053 121.438 120.400 -0.025 0.000 2.167 1643 K HA -0.051 4.116 4.320 -0.256 0.000 0.203 1643 K C -0.360 175.957 176.600 -0.471 0.000 1.052 1643 K CA 0.909 56.998 56.287 -0.329 0.000 0.956 1643 K CB 0.158 32.318 32.500 -0.568 0.000 0.735 1643 K HN 0.193 nan 8.250 nan 0.000 0.451 1644 Y N 0.501 120.861 120.300 0.099 0.000 2.376 1644 Y HA 0.411 4.806 4.550 -0.259 0.000 0.340 1644 Y C -0.750 175.192 175.900 0.069 0.000 0.965 1644 Y CA -1.291 56.839 58.100 0.051 0.000 1.078 1644 Y CB 1.738 40.209 38.460 0.018 0.000 1.193 1644 Y HN -0.070 nan 8.280 nan 0.000 0.452 1645 N N 2.836 121.632 118.700 0.159 0.000 2.397 1645 N HA 0.327 4.913 4.740 -0.256 0.000 0.291 1645 N C -1.635 173.873 175.510 -0.002 0.000 1.065 1645 N CA -0.826 52.267 53.050 0.072 0.000 0.884 1645 N CB 2.739 41.251 38.487 0.041 0.000 1.551 1645 N HN 0.391 nan 8.380 nan 0.000 0.487 1646 K N 1.734 122.106 120.400 -0.047 0.000 2.541 1646 K HA 0.356 4.523 4.320 -0.256 0.000 0.250 1646 K C -1.304 175.229 176.600 -0.113 0.000 0.950 1646 K CA -0.682 55.530 56.287 -0.125 0.000 0.805 1646 K CB 1.193 33.552 32.500 -0.235 0.000 1.166 1646 K HN 0.444 nan 8.250 nan 0.000 0.430 1647 L N 6.136 127.294 121.223 -0.108 0.000 2.433 1647 L HA 0.187 4.374 4.340 -0.256 0.000 0.275 1647 L C 0.436 177.264 176.870 -0.071 0.000 1.128 1647 L CA 0.506 55.277 54.840 -0.115 0.000 0.875 1647 L CB 0.833 42.839 42.059 -0.087 0.000 1.171 1647 L HN 0.626 nan 8.230 nan 0.000 0.463 1648 V N 1.477 121.309 119.914 -0.138 0.000 3.523 1648 V HA 0.439 4.405 4.120 -0.256 0.000 0.255 1648 V C 0.457 176.453 176.094 -0.164 0.000 1.226 1648 V CA 0.265 62.516 62.300 -0.083 0.000 1.092 1648 V CB -0.230 31.539 31.823 -0.090 0.000 0.817 1648 V HN 0.764 nan 8.190 nan 0.000 0.458 1649 K N 2.151 122.392 120.400 -0.264 0.000 2.705 1649 K HA 0.605 4.772 4.320 -0.256 0.000 0.238 1649 K C -3.292 173.242 176.600 -0.109 0.000 0.996 1649 K CA -2.265 53.918 56.287 -0.174 0.000 1.007 1649 K CB 1.596 33.957 32.500 -0.231 0.000 1.206 1649 K HN 0.176 nan 8.250 nan 0.000 0.488 1650 P HA 0.297 nan 4.420 nan 0.000 0.269 1650 P C 0.326 177.653 177.300 0.045 0.000 1.209 1650 P CA 0.615 63.712 63.100 -0.006 0.000 0.776 1650 P CB 0.965 32.672 31.700 0.011 0.000 0.876 1651 G N 1.339 110.168 108.800 0.049 0.000 2.512 1651 G HA2 -0.264 3.542 3.960 -0.256 0.000 0.240 1651 G HA3 -0.264 3.542 3.960 -0.256 0.000 0.240 1651 G C -0.851 174.139 174.900 0.149 0.000 1.246 1651 G CA -0.436 44.727 45.100 0.105 0.000 0.919 1651 G HN 0.542 nan 8.290 nan 0.000 0.577 1652 Y N 0.710 121.072 120.300 0.104 0.000 2.511 1652 Y HA 0.517 4.910 4.550 -0.261 0.000 0.332 1652 Y C 0.008 176.045 175.900 0.228 0.000 1.177 1652 Y CA 0.851 59.028 58.100 0.129 0.000 1.422 1652 Y CB 0.435 38.954 38.460 0.099 0.000 1.271 1652 Y HN 0.798 nan 8.280 nan 0.000 0.550 1653 Y N 5.290 125.284 120.300 -0.510 0.000 2.313 1653 Y HA 0.554 4.940 4.550 -0.274 0.000 0.320 1653 Y C -0.825 174.842 175.900 -0.387 0.000 1.171 1653 Y CA -0.331 57.616 58.100 -0.256 0.000 1.093 1653 Y CB 0.653 39.007 38.460 -0.175 0.000 1.224 1653 Y HN 0.743 nan 8.280 nan 0.000 0.421 1654 A N 3.639 126.236 122.820 -0.371 0.000 3.044 1654 A HA 0.502 4.669 4.320 -0.256 0.000 0.200 1654 A C -1.191 176.365 177.584 -0.047 0.000 1.557 1654 A CA -0.104 51.845 52.037 -0.146 0.000 1.647 1654 A CB -0.152 18.849 19.000 0.001 0.000 1.580 1654 A HN 0.547 nan 8.150 nan 0.000 0.503 1655 Y N 1.217 121.405 120.300 -0.186 0.000 2.379 1655 Y HA 0.453 4.845 4.550 -0.264 0.000 0.337 1655 Y C 1.064 176.838 175.900 -0.210 0.000 1.238 1655 Y CA -0.152 57.848 58.100 -0.167 0.000 1.405 1655 Y CB 0.535 38.935 38.460 -0.099 0.000 1.310 1655 Y HN 0.660 nan 8.280 nan 0.000 0.569 1656 S N 0.218 115.902 115.700 -0.026 0.000 2.596 1656 S HA 0.690 5.007 4.470 -0.256 0.000 0.270 1656 S C -1.541 173.067 174.600 0.013 0.000 1.155 1656 S CA -0.943 57.240 58.200 -0.029 0.000 0.827 1656 S CB 1.681 64.830 63.200 -0.085 0.000 1.130 1656 S HN 0.827 nan 8.310 nan 0.000 0.467 1657 C N 2.023 121.366 119.300 0.072 0.000 2.701 1657 C HA 0.677 4.983 4.460 -0.256 0.000 0.336 1657 C C -1.012 174.054 174.990 0.127 0.000 1.123 1657 C CA -0.518 58.551 59.018 0.085 0.000 1.326 1657 C CB 0.015 27.825 27.740 0.116 0.000 1.833 1657 C HN 0.964 nan 8.230 nan 0.000 0.473 1658 L N 3.529 124.813 121.223 0.102 0.000 2.375 1658 L HA 0.797 4.984 4.340 -0.256 0.000 0.268 1658 L C 0.491 177.452 176.870 0.152 0.000 1.058 1658 L CA 0.113 55.026 54.840 0.122 0.000 0.803 1658 L CB 1.902 44.007 42.059 0.077 0.000 1.212 1658 L HN 0.711 nan 8.230 nan 0.000 0.451 1659 T N 0.401 115.053 114.554 0.162 0.000 2.923 1659 T HA 0.192 4.389 4.350 -0.256 0.000 0.311 1659 T C -1.151 173.629 174.700 0.134 0.000 1.183 1659 T CA -0.613 61.568 62.100 0.134 0.000 1.020 1659 T CB 1.603 70.548 68.868 0.128 0.000 1.165 1659 T HN 0.656 nan 8.240 nan 0.000 0.482 1660 E N 3.388 123.653 120.200 0.109 0.000 2.313 1660 E HA 0.474 4.670 4.350 -0.256 0.000 0.276 1660 E C -0.475 176.168 176.600 0.072 0.000 1.031 1660 E CA -0.441 56.039 56.400 0.134 0.000 0.857 1660 E CB 0.598 30.371 29.700 0.123 0.000 1.040 1660 E HN 0.484 nan 8.360 nan 0.000 0.408 1661 L N 2.545 123.825 121.223 0.094 0.000 2.400 1661 L HA 0.206 4.393 4.340 -0.256 0.000 0.264 1661 L C 1.529 178.415 176.870 0.025 0.000 1.061 1661 L CA -0.610 54.266 54.840 0.061 0.000 0.799 1661 L CB 1.340 43.453 42.059 0.091 0.000 1.240 1661 L HN 0.616 nan 8.230 nan 0.000 0.461 1662 S N 0.511 116.212 115.700 0.003 0.000 2.399 1662 S HA -0.140 4.177 4.470 -0.256 0.000 0.231 1662 S C 1.313 175.914 174.600 0.001 0.000 1.022 1662 S CA 1.591 59.784 58.200 -0.011 0.000 0.983 1662 S CB -0.415 62.773 63.200 -0.021 0.000 0.803 1662 S HN 0.817 nan 8.310 nan 0.000 0.480 1663 N N 0.850 119.562 118.700 0.020 0.000 2.449 1663 N HA 0.158 4.745 4.740 -0.256 0.000 0.191 1663 N C 0.997 176.537 175.510 0.051 0.000 1.161 1663 N CA 0.855 53.922 53.050 0.028 0.000 0.863 1663 N CB -0.497 38.008 38.487 0.030 0.000 0.980 1663 N HN 0.375 nan 8.380 nan 0.000 0.458 1664 G N -0.882 107.957 108.800 0.065 0.000 2.176 1664 G HA2 -0.313 3.494 3.960 -0.256 0.000 0.253 1664 G HA3 -0.313 3.494 3.960 -0.256 0.000 0.253 1664 G C -0.015 175.025 174.900 0.233 0.000 0.979 1664 G CA 0.147 45.325 45.100 0.129 0.000 0.641 1664 G HN 0.493 nan 8.290 nan 0.000 0.530 1665 N N -0.005 118.785 118.700 0.151 0.000 2.364 1665 N HA 0.622 5.208 4.740 -0.256 0.000 0.264 1665 N C 0.328 175.930 175.510 0.154 0.000 1.263 1665 N CA -0.224 52.905 53.050 0.132 0.000 0.959 1665 N CB 0.382 38.919 38.487 0.083 0.000 1.204 1665 N HN 0.112 nan 8.380 nan 0.000 0.550 1666 I N 0.095 120.730 120.570 0.109 0.000 2.406 1666 I HA 0.375 4.392 4.170 -0.256 0.000 0.290 1666 I C 0.797 176.966 176.117 0.087 0.000 0.999 1666 I CA -0.648 60.719 61.300 0.111 0.000 1.124 1666 I CB 0.661 38.705 38.000 0.073 0.000 1.289 1666 I HN 0.361 nan 8.210 nan 0.000 0.441 1667 G N 5.654 114.538 108.800 0.140 0.000 2.389 1667 G HA2 0.630 4.436 3.960 -0.256 0.000 0.317 1667 G HA3 0.630 4.436 3.960 -0.256 0.000 0.317 1667 G C -1.449 173.536 174.900 0.141 0.000 1.137 1667 G CA -0.329 44.864 45.100 0.156 0.000 0.870 1667 G HN 0.445 nan 8.290 nan 0.000 0.496 1668 L N 1.573 122.811 121.223 0.025 0.000 2.505 1668 L HA 0.660 4.847 4.340 -0.256 0.000 0.266 1668 L C -1.600 175.393 176.870 0.205 0.000 0.954 1668 L CA -0.873 54.053 54.840 0.143 0.000 0.852 1668 L CB 2.114 44.257 42.059 0.141 0.000 1.282 1668 L HN 0.462 nan 8.230 nan 0.000 0.403 1669 L N 6.397 127.778 121.223 0.263 0.000 2.305 1669 L HA 0.734 4.920 4.340 -0.256 0.000 0.284 1669 L C -1.372 175.588 176.870 0.151 0.000 1.013 1669 L CA -0.200 54.753 54.840 0.188 0.000 0.819 1669 L CB 1.204 43.375 42.059 0.187 0.000 1.227 1669 L HN 0.640 nan 8.230 nan 0.000 0.417 1670 Y N 0.986 121.282 120.300 -0.007 0.000 2.562 1670 Y HA 0.595 5.171 4.550 0.043 0.000 0.345 1670 Y C -0.769 175.063 175.900 -0.112 0.000 1.045 1670 Y CA -1.197 56.816 58.100 -0.145 0.000 1.028 1670 Y CB 1.053 39.358 38.460 -0.258 0.000 1.297 1670 Y HN 0.586 nan 8.280 nan 0.000 0.463 1671 E N 1.648 121.845 120.200 -0.005 0.000 1.814 1671 E HA 0.211 4.407 4.350 -0.256 0.000 0.264 1671 E C 0.368 177.116 176.600 0.246 0.000 1.179 1671 E CA 0.101 56.542 56.400 0.068 0.000 0.972 1671 E CB 0.584 30.339 29.700 0.091 0.000 1.077 1671 E HN 1.002 nan 8.360 nan 0.000 0.417 1672 G N 2.671 111.640 108.800 0.281 0.000 3.042 1672 G HA2 -0.059 3.747 3.960 -0.256 0.000 0.212 1672 G HA3 -0.059 3.747 3.960 -0.256 0.000 0.212 1672 G C 0.613 175.725 174.900 0.353 0.000 1.166 1672 G CA 0.188 45.568 45.100 0.466 0.000 0.767 1672 G HN 0.463 nan 8.290 nan 0.000 0.546 1673 T N -4.150 110.513 114.554 0.181 0.000 2.901 1673 T HA 0.560 4.756 4.350 -0.256 0.000 0.293 1673 T C -2.323 172.222 174.700 -0.259 0.000 1.084 1673 T CA -1.630 60.410 62.100 -0.100 0.000 1.008 1673 T CB 2.711 71.534 68.868 -0.075 0.000 1.170 1673 T HN -0.225 nan 8.240 nan 0.000 0.509 1674 P HA -0.015 nan 4.420 nan 0.000 0.215 1674 P C 0.866 178.087 177.300 -0.131 0.000 1.153 1674 P CA 1.375 64.230 63.100 -0.409 0.000 0.853 1674 P CB 0.093 31.543 31.700 -0.416 0.000 0.788 1675 S N -4.778 110.858 115.700 -0.106 0.000 2.952 1675 S HA 0.273 4.590 4.470 -0.256 0.000 0.238 1675 S C 0.281 174.882 174.600 0.001 0.000 0.780 1675 S CA -0.485 57.686 58.200 -0.049 0.000 1.150 1675 S CB -0.302 62.858 63.200 -0.068 0.000 1.320 1675 S HN -0.134 nan 8.310 nan 0.000 0.540 1676 E N 2.013 122.222 120.200 0.016 0.000 3.076 1676 E HA 0.453 4.650 4.350 -0.256 0.000 0.279 1676 E C -0.645 176.021 176.600 0.111 0.000 0.945 1676 E CA -0.155 56.287 56.400 0.070 0.000 1.046 1676 E CB -0.374 29.343 29.700 0.028 0.000 2.828 1676 E HN 0.355 nan 8.360 nan 0.000 0.582 1677 E N 1.096 121.333 120.200 0.062 0.000 2.316 1677 E HA 0.208 4.404 4.350 -0.256 0.000 0.275 1677 E C -0.556 176.029 176.600 -0.024 0.000 1.029 1677 E CA 0.257 56.677 56.400 0.033 0.000 0.871 1677 E CB 0.426 30.127 29.700 0.001 0.000 1.022 1677 E HN 0.131 nan 8.360 nan 0.000 0.418 1678 M N 1.887 121.449 119.600 -0.062 0.000 2.149 1678 M HA 0.335 4.661 4.480 -0.256 0.000 0.342 1678 M C -0.530 175.615 176.300 -0.257 0.000 1.068 1678 M CA -0.438 54.787 55.300 -0.125 0.000 0.991 1678 M CB 1.408 34.000 32.600 -0.012 0.000 1.596 1678 M HN 0.270 nan 8.290 nan 0.000 0.439 1679 S N 2.633 118.037 115.700 -0.492 0.000 2.525 1679 S HA 0.596 4.912 4.470 -0.256 0.000 0.290 1679 S C -1.166 173.138 174.600 -0.493 0.000 1.152 1679 S CA -0.508 57.340 58.200 -0.586 0.000 1.072 1679 S CB 1.356 64.015 63.200 -0.902 0.000 1.027 1679 S HN 0.540 nan 8.310 nan 0.000 0.500 1680 Y N 4.265 124.370 120.300 -0.326 0.000 2.341 1680 Y HA 0.709 5.124 4.550 -0.225 0.000 0.338 1680 Y C -0.664 175.241 175.900 0.009 0.000 0.965 1680 Y CA -1.084 56.932 58.100 -0.140 0.000 1.108 1680 Y CB 0.537 38.880 38.460 -0.196 0.000 1.180 1680 Y HN 0.682 nan 8.280 nan 0.000 0.458 1681 I N 2.327 122.472 120.570 -0.709 0.000 2.934 1681 I HA 0.668 4.685 4.170 -0.256 0.000 0.306 1681 I C -1.474 174.240 176.117 -0.672 0.000 1.110 1681 I CA -1.108 59.898 61.300 -0.489 0.000 1.019 1681 I CB 2.495 40.429 38.000 -0.109 0.000 1.227 1681 I HN 0.668 nan 8.210 nan 0.000 0.434 1682 E N 4.630 124.624 120.200 -0.342 0.000 2.199 1682 E HA 0.691 4.888 4.350 -0.256 0.000 0.269 1682 E C -1.658 174.872 176.600 -0.117 0.000 0.899 1682 E CA -0.896 55.405 56.400 -0.165 0.000 0.772 1682 E CB 1.996 31.683 29.700 -0.022 0.000 1.155 1682 E HN 0.724 nan 8.360 nan 0.000 0.408 1683 M N 3.257 122.824 119.600 -0.055 0.000 2.501 1683 M HA 0.330 4.656 4.480 -0.256 0.000 0.293 1683 M C -0.691 175.630 176.300 0.035 0.000 1.192 1683 M CA -1.087 54.192 55.300 -0.036 0.000 0.886 1683 M CB 1.991 34.626 32.600 0.058 0.000 1.710 1683 M HN 0.545 nan 8.290 nan 0.000 0.457 1684 N N 1.457 120.192 118.700 0.058 0.000 2.478 1684 N HA 0.346 4.933 4.740 -0.256 0.000 0.275 1684 N C 0.045 175.587 175.510 0.053 0.000 1.221 1684 N CA -0.691 52.395 53.050 0.059 0.000 0.979 1684 N CB 0.583 39.098 38.487 0.047 0.000 1.202 1684 N HN 0.531 nan 8.380 nan 0.000 0.564 1685 L N 0.403 121.622 121.223 -0.007 0.000 2.083 1685 L HA 0.022 4.209 4.340 -0.256 0.000 0.209 1685 L C 2.073 178.883 176.870 -0.102 0.000 1.083 1685 L CA 1.606 56.391 54.840 -0.092 0.000 0.752 1685 L CB -1.124 40.864 42.059 -0.119 0.000 0.899 1685 L HN 0.655 nan 8.230 nan 0.000 0.433 1686 K N -1.724 118.654 120.400 -0.037 0.000 2.063 1686 K HA -0.261 3.906 4.320 -0.256 0.000 0.208 1686 K C 2.158 178.752 176.600 -0.010 0.000 1.048 1686 K CA 1.804 58.069 56.287 -0.036 0.000 0.928 1686 K CB -0.449 32.055 32.500 0.007 0.000 0.713 1686 K HN 0.240 nan 8.250 nan 0.000 0.442 1687 Y N 1.648 121.908 120.300 -0.067 0.000 2.145 1687 Y HA -0.163 4.203 4.550 -0.307 0.000 0.286 1687 Y C 1.767 177.628 175.900 -0.065 0.000 1.145 1687 Y CA 1.352 59.419 58.100 -0.054 0.000 1.148 1687 Y CB -0.245 38.191 38.460 -0.040 0.000 0.981 1687 Y HN -0.079 nan 8.280 nan 0.000 0.507 1688 L N 0.076 121.200 121.223 -0.165 0.000 2.201 1688 L HA -0.166 4.020 4.340 -0.256 0.000 0.212 1688 L C 1.714 178.430 176.870 -0.258 0.000 1.105 1688 L CA 1.505 56.200 54.840 -0.242 0.000 0.775 1688 L CB -0.389 41.610 42.059 -0.099 0.000 0.913 1688 L HN 0.307 nan 8.230 nan 0.000 0.440 1689 E N -0.846 119.160 120.200 -0.324 0.000 2.479 1689 E HA -0.043 4.154 4.350 -0.256 0.000 0.193 1689 E C 1.939 178.445 176.600 -0.157 0.000 1.049 1689 E CA 0.579 56.720 56.400 -0.432 0.000 0.870 1689 E CB 0.271 29.506 29.700 -0.774 0.000 0.944 1689 E HN 0.437 nan 8.360 nan 0.000 0.492 1690 S N -0.326 115.271 115.700 -0.171 0.000 2.489 1690 S HA 0.145 4.461 4.470 -0.256 0.000 0.228 1690 S C 0.933 175.491 174.600 -0.069 0.000 0.995 1690 S CA 0.270 58.407 58.200 -0.106 0.000 0.934 1690 S CB 0.574 63.703 63.200 -0.119 0.000 0.771 1690 S HN 0.205 nan 8.310 nan 0.000 0.522 1691 G N 0.000 108.751 108.800 -0.081 0.000 5.446 1691 G HA2 0.000 3.807 3.960 -0.256 0.000 0.244 1691 G HA3 0.000 3.807 3.960 -0.256 0.000 0.244 1691 G CA 0.000 nan 45.100 nan 0.000 0.502 1691 G HN 0.000 nan 8.290 nan 0.000 0.925