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 3dqv_1_D DATA FIRST_RESID 1401 DATA SEQUENCE ESKCPEELAN YCDXLLRKTP LSKKLTSEEI EAKLKEVLKK LKYVQNKDVF DATA SEQUENCE XRYHKAHLTR RLILDISADS EIEENXVEWL REVGXPADYV NKLARXFQDI DATA SEQUENCE KVSEDLNQAF KEXHKNNXXA LPADSVNIKI LNAGAWSRSS EKVFVSLPTE DATA SEQUENCE LEDLIPEVEE FYKKNHSGRK LHWHHLXSNG IITFKNEVGQ YDLEVTTFQL DATA SEQUENCE AVLFAWNQRP REKISFENLK LATELPDAEL RRTLWSLVAF PKLKRQVLLY DATA SEQUENCE EPQVNSPKDF TEGTLFSVNQ EFSLIKNAKV QKRGKINLIG RLQLTTERXR DATA SEQUENCE EEENEGIVQL RILRTQEAII QIXKXRKKIS NAQLQTELVE ILKNXFLPQK DATA SEQUENCE KXIKEQIEWL IEHKYIRRDE SDINTFIYXA 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 1401 E HA 0.000 nan 4.350 nan 0.000 0.291 1401 E C 0.000 176.539 176.600 -0.102 0.000 1.382 1401 E CA 0.000 56.320 56.400 -0.133 0.000 0.976 1401 E CB 0.000 29.643 29.700 -0.096 0.000 0.812 1402 S N 1.552 117.192 115.700 -0.100 0.000 2.806 1402 S HA -0.179 4.292 4.470 0.001 0.000 0.334 1402 S C 0.781 175.363 174.600 -0.031 0.000 1.226 1402 S CA 0.842 59.008 58.200 -0.056 0.000 1.017 1402 S CB 0.426 63.595 63.200 -0.051 0.000 0.712 1402 S HN 0.453 nan 8.310 nan 0.000 0.491 1403 K N 0.824 121.225 120.400 0.002 0.000 2.372 1403 K HA 0.246 4.566 4.320 0.001 0.000 0.200 1403 K C 0.251 176.880 176.600 0.048 0.000 1.022 1403 K CA -0.405 55.908 56.287 0.043 0.000 1.125 1403 K CB -0.188 32.360 32.500 0.080 0.000 0.855 1403 K HN 0.536 nan 8.250 nan 0.000 0.524 1404 C N 3.277 122.590 119.300 0.022 0.000 2.482 1404 C HA 0.242 4.702 4.460 0.001 0.000 0.378 1404 C C -1.203 173.806 174.990 0.032 0.000 1.284 1404 C CA -1.904 57.122 59.018 0.014 0.000 1.826 1404 C CB 0.580 28.314 27.740 -0.009 0.000 2.473 1404 C HN 0.319 nan 8.230 nan 0.000 0.562 1405 P HA -0.187 nan 4.420 nan 0.000 0.217 1405 P C 1.333 178.723 177.300 0.150 0.000 1.151 1405 P CA 1.521 64.697 63.100 0.125 0.000 0.849 1405 P CB 0.160 31.929 31.700 0.114 0.000 0.787 1406 E N -0.329 119.841 120.200 -0.049 0.000 2.016 1406 E HA -0.181 4.170 4.350 0.001 0.000 0.190 1406 E C 1.952 178.522 176.600 -0.050 0.000 0.985 1406 E CA 0.911 57.154 56.400 -0.260 0.000 0.802 1406 E CB -0.282 29.107 29.700 -0.518 0.000 0.762 1406 E HN 0.179 nan 8.360 nan 0.000 0.448 1407 E N 0.408 120.598 120.200 -0.017 0.000 2.171 1407 E HA -0.214 4.136 4.350 0.001 0.000 0.197 1407 E C 2.150 178.825 176.600 0.125 0.000 0.997 1407 E CA 0.963 57.389 56.400 0.044 0.000 0.810 1407 E CB -0.024 29.686 29.700 0.015 0.000 0.738 1407 E HN 0.306 nan 8.360 nan 0.000 0.467 1408 L N -0.000 121.314 121.223 0.151 0.000 2.027 1408 L HA -0.162 4.178 4.340 0.001 0.000 0.206 1408 L C 2.478 179.593 176.870 0.409 0.000 1.074 1408 L CA 1.001 55.976 54.840 0.224 0.000 0.745 1408 L CB -0.386 41.741 42.059 0.112 0.000 0.898 1408 L HN 0.176 nan 8.230 nan 0.000 0.433 1409 A N -0.056 123.070 122.820 0.511 0.000 2.067 1409 A HA -0.172 4.149 4.320 0.001 0.000 0.219 1409 A C 1.923 179.691 177.584 0.306 0.000 1.158 1409 A CA 1.505 53.832 52.037 0.483 0.000 0.661 1409 A CB -0.444 18.757 19.000 0.335 0.000 0.801 1409 A HN 0.457 nan 8.150 nan 0.000 0.452 1410 N N -1.243 117.592 118.700 0.225 0.000 2.171 1410 N HA -0.128 4.613 4.740 0.001 0.000 0.184 1410 N C 1.546 177.096 175.510 0.067 0.000 1.021 1410 N CA 1.454 54.528 53.050 0.041 0.000 0.854 1410 N CB -0.688 37.862 38.487 0.105 0.000 0.994 1410 N HN 0.591 nan 8.380 nan 0.000 0.426 1411 Y N 1.871 122.199 120.300 0.047 0.000 2.128 1411 Y HA -0.255 4.296 4.550 0.001 0.000 0.284 1411 Y C 2.430 178.365 175.900 0.057 0.000 1.154 1411 Y CA 0.952 59.078 58.100 0.044 0.000 1.149 1411 Y CB -0.690 37.802 38.460 0.053 0.000 0.976 1411 Y HN 0.054 nan 8.280 nan 0.000 0.505 1412 C N 0.038 119.412 119.300 0.124 0.000 2.413 1412 C HA -0.190 4.271 4.460 0.001 0.000 0.278 1412 C C 1.714 176.704 174.990 0.001 0.000 1.224 1412 C CA 0.795 59.854 59.018 0.068 0.000 1.732 1412 C CB -1.496 26.372 27.740 0.213 0.000 2.050 1412 C HN 0.666 nan 8.230 nan 0.000 0.463 1416 L N 0.280 121.494 121.223 -0.015 0.000 2.375 1416 L HA 0.143 4.484 4.340 0.001 0.000 0.215 1416 L C 1.273 178.158 176.870 0.025 0.000 1.108 1416 L CA 0.505 55.362 54.840 0.029 0.000 0.830 1416 L CB 0.065 42.165 42.059 0.067 0.000 0.959 1416 L HN 0.133 nan 8.230 nan 0.000 0.457 1417 R N 0.874 121.379 120.500 0.007 0.000 2.573 1417 R HA 0.255 4.596 4.340 0.001 0.000 0.272 1417 R C -0.276 176.034 176.300 0.016 0.000 1.009 1417 R CA -0.655 55.455 56.100 0.017 0.000 1.059 1417 R CB 0.867 31.173 30.300 0.010 0.000 1.112 1417 R HN -0.103 nan 8.270 nan 0.000 0.517 1418 K N 2.576 122.992 120.400 0.027 0.000 2.382 1418 K HA 0.055 4.375 4.320 0.001 0.000 0.286 1418 K C -0.522 176.093 176.600 0.026 0.000 1.062 1418 K CA 0.492 56.796 56.287 0.028 0.000 1.000 1418 K CB 0.480 33.001 32.500 0.034 0.000 0.954 1418 K HN 0.737 nan 8.250 nan 0.000 0.470 1419 T N -0.143 114.423 114.554 0.019 0.000 2.792 1419 T HA 0.257 4.608 4.350 0.001 0.000 0.303 1419 T C -2.442 172.270 174.700 0.019 0.000 1.310 1419 T CA -1.695 60.417 62.100 0.020 0.000 1.007 1419 T CB 1.728 70.601 68.868 0.009 0.000 1.335 1419 T HN 0.043 nan 8.240 nan 0.000 0.504 1420 P HA -0.048 nan 4.420 nan 0.000 0.216 1420 P C 1.609 178.921 177.300 0.020 0.000 1.150 1420 P CA 0.416 63.531 63.100 0.025 0.000 0.843 1420 P CB 0.025 31.743 31.700 0.029 0.000 0.787 1421 L N 0.289 121.520 121.223 0.015 0.000 1.961 1421 L HA -0.135 4.205 4.340 0.001 0.000 0.209 1421 L C 2.256 179.124 176.870 -0.003 0.000 1.075 1421 L CA 2.586 57.431 54.840 0.007 0.000 0.749 1421 L CB -1.806 40.249 42.059 -0.007 0.000 0.890 1421 L HN 0.004 nan 8.230 nan 0.000 0.433 1422 S N -1.230 114.461 115.700 -0.016 0.000 2.462 1422 S HA -0.283 4.187 4.470 0.001 0.000 0.243 1422 S C 2.011 176.616 174.600 0.007 0.000 1.003 1422 S CA 1.636 59.829 58.200 -0.011 0.000 0.970 1422 S CB -0.643 62.550 63.200 -0.011 0.000 0.762 1422 S HN 0.569 nan 8.310 nan 0.000 0.510 1423 K N 0.951 121.358 120.400 0.012 0.000 2.284 1423 K HA 0.199 4.519 4.320 0.001 0.000 0.198 1423 K C 1.998 178.609 176.600 0.018 0.000 1.048 1423 K CA 0.424 56.722 56.287 0.018 0.000 0.987 1423 K CB 0.039 32.551 32.500 0.021 0.000 0.800 1423 K HN 0.311 nan 8.250 nan 0.000 0.486 1424 K N 0.163 120.573 120.400 0.017 0.000 2.305 1424 K HA 0.095 4.416 4.320 0.001 0.000 0.199 1424 K C 0.322 176.933 176.600 0.018 0.000 1.047 1424 K CA 0.266 56.564 56.287 0.018 0.000 0.976 1424 K CB 0.209 32.721 32.500 0.021 0.000 0.765 1424 K HN 0.112 nan 8.250 nan 0.000 0.474 1425 L N 0.270 121.502 121.223 0.015 0.000 2.416 1425 L HA 0.214 4.554 4.340 0.001 0.000 0.262 1425 L C 0.557 177.437 176.870 0.018 0.000 1.093 1425 L CA -0.490 54.359 54.840 0.015 0.000 0.801 1425 L CB 1.399 43.463 42.059 0.008 0.000 1.191 1425 L HN -0.077 nan 8.230 nan 0.000 0.459 1426 T N -1.470 113.096 114.554 0.020 0.000 2.950 1426 T HA 0.144 4.495 4.350 0.001 0.000 0.288 1426 T C 1.014 175.732 174.700 0.030 0.000 1.035 1426 T CA 0.034 62.148 62.100 0.024 0.000 1.028 1426 T CB 1.804 70.685 68.868 0.022 0.000 1.109 1426 T HN 0.688 nan 8.240 nan 0.000 0.514 1427 S N 1.613 117.337 115.700 0.039 0.000 2.389 1427 S HA -0.214 4.256 4.470 0.001 0.000 0.229 1427 S C 1.678 176.309 174.600 0.051 0.000 1.048 1427 S CA 2.722 60.956 58.200 0.056 0.000 1.117 1427 S CB -0.817 62.419 63.200 0.060 0.000 1.020 1427 S HN 0.812 nan 8.310 nan 0.000 0.430 1428 E N 1.038 121.259 120.200 0.036 0.000 2.065 1428 E HA -0.164 4.187 4.350 0.001 0.000 0.201 1428 E C 2.204 178.804 176.600 0.000 0.000 1.016 1428 E CA 2.012 58.423 56.400 0.018 0.000 0.818 1428 E CB -0.373 29.335 29.700 0.012 0.000 0.749 1428 E HN 0.743 nan 8.360 nan 0.000 0.453 1429 E N -0.015 120.189 120.200 0.006 0.000 2.072 1429 E HA -0.140 4.211 4.350 0.001 0.000 0.191 1429 E C 2.243 178.843 176.600 -0.000 0.000 0.985 1429 E CA 0.868 57.269 56.400 0.002 0.000 0.801 1429 E CB -0.191 29.515 29.700 0.011 0.000 0.750 1429 E HN 0.271 nan 8.360 nan 0.000 0.452 1430 I N 1.318 121.894 120.570 0.010 0.000 2.163 1430 I HA -0.303 3.867 4.170 0.001 0.000 0.243 1430 I C 2.707 178.826 176.117 0.004 0.000 1.085 1430 I CA 1.332 62.639 61.300 0.011 0.000 1.347 1430 I CB -0.288 37.734 38.000 0.036 0.000 1.044 1430 I HN 0.165 nan 8.210 nan 0.000 0.408 1431 E N 1.123 121.321 120.200 -0.003 0.000 2.049 1431 E HA -0.295 4.055 4.350 0.001 0.000 0.198 1431 E C 2.262 178.721 176.600 -0.235 0.000 1.007 1431 E CA 1.613 57.926 56.400 -0.145 0.000 0.809 1431 E CB -0.091 29.512 29.700 -0.161 0.000 0.749 1431 E HN 0.489 nan 8.360 nan 0.000 0.450 1432 A N 1.240 123.974 122.820 -0.144 0.000 1.917 1432 A HA -0.274 4.047 4.320 0.001 0.000 0.219 1432 A C 2.022 179.561 177.584 -0.074 0.000 1.182 1432 A CA 2.092 54.056 52.037 -0.120 0.000 0.633 1432 A CB -0.455 18.505 19.000 -0.065 0.000 0.819 1432 A HN 0.207 nan 8.150 nan 0.000 0.448 1433 K N -0.488 119.902 120.400 -0.018 0.000 2.007 1433 K HA 0.033 4.353 4.320 0.001 0.000 0.206 1433 K C 1.917 178.558 176.600 0.068 0.000 1.047 1433 K CA 1.271 57.598 56.287 0.067 0.000 0.937 1433 K CB -0.465 32.110 32.500 0.126 0.000 0.718 1433 K HN 0.438 nan 8.250 nan 0.000 0.438 1434 L N 1.583 122.820 121.223 0.023 0.000 2.081 1434 L HA -0.227 4.114 4.340 0.001 0.000 0.212 1434 L C 2.314 179.182 176.870 -0.004 0.000 1.080 1434 L CA 1.420 56.291 54.840 0.051 0.000 0.754 1434 L CB -0.370 41.756 42.059 0.111 0.000 0.893 1434 L HN 0.199 nan 8.230 nan 0.000 0.433 1435 K N -0.069 120.249 120.400 -0.136 0.000 2.217 1435 K HA -0.158 4.163 4.320 0.001 0.000 0.202 1435 K C 1.930 178.477 176.600 -0.089 0.000 1.051 1435 K CA 1.341 57.522 56.287 -0.178 0.000 0.952 1435 K CB 0.002 32.302 32.500 -0.334 0.000 0.736 1435 K HN 0.546 nan 8.250 nan 0.000 0.453 1436 E N 0.814 120.984 120.200 -0.049 0.000 2.158 1436 E HA -0.082 4.268 4.350 0.001 0.000 0.191 1436 E C 1.957 178.550 176.600 -0.011 0.000 0.982 1436 E CA 0.664 57.048 56.400 -0.027 0.000 0.823 1436 E CB -0.278 29.413 29.700 -0.015 0.000 0.766 1436 E HN -0.087 nan 8.360 nan 0.000 0.468 1437 V N 2.197 122.125 119.914 0.022 0.000 2.255 1437 V HA -0.266 3.854 4.120 0.001 0.000 0.247 1437 V C 2.562 178.613 176.094 -0.071 0.000 1.051 1437 V CA 1.662 63.970 62.300 0.014 0.000 1.018 1437 V CB -0.511 31.383 31.823 0.119 0.000 0.641 1437 V HN 0.312 nan 8.190 nan 0.000 0.445 1438 L N -0.624 120.566 121.223 -0.056 0.000 2.191 1438 L HA -0.210 4.131 4.340 0.001 0.000 0.212 1438 L C 2.448 179.271 176.870 -0.079 0.000 1.103 1438 L CA 1.543 56.335 54.840 -0.081 0.000 0.769 1438 L CB -0.488 41.571 42.059 0.001 0.000 0.908 1438 L HN 0.307 nan 8.230 nan 0.000 0.438 1439 K N 0.100 120.466 120.400 -0.057 0.000 2.432 1439 K HA -0.147 4.174 4.320 0.001 0.000 0.196 1439 K C 1.707 178.291 176.600 -0.027 0.000 1.038 1439 K CA 0.516 56.775 56.287 -0.046 0.000 0.986 1439 K CB 0.237 32.716 32.500 -0.035 0.000 0.782 1439 K HN -0.091 nan 8.250 nan 0.000 0.485 1440 K N 0.503 120.893 120.400 -0.018 0.000 2.372 1440 K HA 0.149 4.470 4.320 0.001 0.000 0.200 1440 K C 0.912 177.516 176.600 0.007 0.000 1.022 1440 K CA 0.262 56.589 56.287 0.067 0.000 1.125 1440 K CB 0.174 32.705 32.500 0.053 0.000 0.855 1440 K HN 0.056 nan 8.250 nan 0.000 0.524 1441 L N 0.690 121.849 121.223 -0.107 0.000 2.313 1441 L HA -0.056 4.285 4.340 0.001 0.000 0.214 1441 L C 1.744 178.562 176.870 -0.086 0.000 1.119 1441 L CA 0.981 55.734 54.840 -0.144 0.000 0.809 1441 L CB -0.250 41.679 42.059 -0.216 0.000 0.933 1441 L HN 0.239 nan 8.230 nan 0.000 0.449 1442 K N -1.044 119.256 120.400 -0.168 0.000 2.365 1442 K HA -0.144 4.176 4.320 0.001 0.000 0.199 1442 K C 1.176 177.623 176.600 -0.254 0.000 1.045 1442 K CA 1.218 57.354 56.287 -0.251 0.000 0.962 1442 K CB -0.252 32.000 32.500 -0.414 0.000 0.759 1442 K HN 0.180 nan 8.250 nan 0.000 0.469 1443 Y N 1.185 121.528 120.300 0.072 0.000 2.457 1443 Y HA 0.192 4.743 4.550 0.001 0.000 0.263 1443 Y C 0.486 176.654 175.900 0.446 0.000 1.164 1443 Y CA -0.823 57.394 58.100 0.196 0.000 1.274 1443 Y CB 0.435 38.929 38.460 0.057 0.000 1.097 1443 Y HN -0.213 nan 8.280 nan 0.000 0.523 1444 V N 1.668 121.799 119.914 0.363 0.000 2.614 1444 V HA -0.037 4.084 4.120 0.001 0.000 0.291 1444 V C 0.878 177.098 176.094 0.209 0.000 1.049 1444 V CA 0.057 62.508 62.300 0.252 0.000 1.038 1444 V CB 1.571 33.447 31.823 0.088 0.000 0.980 1444 V HN 0.382 nan 8.190 nan 0.000 0.481 1445 Q N 3.196 122.992 119.800 -0.006 0.000 2.083 1445 Q HA -0.046 4.295 4.340 0.001 0.000 0.198 1445 Q C 0.856 176.755 176.000 -0.167 0.000 0.969 1445 Q CA 1.123 56.725 55.803 -0.334 0.000 0.838 1445 Q CB 0.133 28.563 28.738 -0.514 0.000 0.900 1445 Q HN 0.765 nan 8.270 nan 0.000 0.436 1446 N N 0.371 119.023 118.700 -0.080 0.000 2.776 1446 N HA 0.120 4.860 4.740 0.001 0.000 0.245 1446 N C -0.218 175.304 175.510 0.020 0.000 1.121 1446 N CA -0.147 52.879 53.050 -0.040 0.000 0.852 1446 N CB 0.553 39.012 38.487 -0.046 0.000 1.142 1446 N HN -0.099 nan 8.380 nan 0.000 0.514 1447 K N 0.574 120.990 120.400 0.027 0.000 2.103 1447 K HA -0.149 4.171 4.320 0.001 0.000 0.207 1447 K C 1.064 177.706 176.600 0.069 0.000 1.048 1447 K CA 1.334 57.657 56.287 0.059 0.000 0.930 1447 K CB 0.064 32.584 32.500 0.034 0.000 0.716 1447 K HN 0.592 nan 8.250 nan 0.000 0.444 1448 D N -0.125 120.282 120.400 0.011 0.000 2.378 1448 D HA -0.088 4.553 4.640 0.001 0.000 0.227 1448 D C 1.315 177.624 176.300 0.015 0.000 1.012 1448 D CA 0.437 54.419 54.000 -0.030 0.000 0.905 1448 D CB -0.088 40.683 40.800 -0.048 0.000 0.895 1448 D HN -0.010 nan 8.370 nan 0.000 0.532 1449 V N 0.166 120.131 119.914 0.084 0.000 2.725 1449 V HA 0.010 4.131 4.120 0.001 0.000 0.247 1449 V C 1.080 177.321 176.094 0.245 0.000 1.058 1449 V CA 0.220 62.614 62.300 0.156 0.000 1.080 1449 V CB -0.501 31.398 31.823 0.126 0.000 0.713 1449 V HN 0.114 nan 8.190 nan 0.000 0.465 1453 Y N 1.370 121.598 120.300 -0.121 0.000 2.193 1453 Y HA -0.288 4.263 4.550 0.001 0.000 0.285 1453 Y C 2.386 178.175 175.900 -0.186 0.000 1.166 1453 Y CA 2.425 60.415 58.100 -0.183 0.000 1.181 1453 Y CB -0.503 37.911 38.460 -0.077 0.000 0.976 1453 Y HN 0.440 nan 8.280 nan 0.000 0.520 1454 H N 0.311 119.309 119.070 -0.120 0.000 2.261 1454 H HA -0.136 4.420 4.556 0.001 0.000 0.301 1454 H C 2.332 177.633 175.328 -0.044 0.000 1.067 1454 H CA 2.223 58.201 56.048 -0.117 0.000 1.297 1454 H CB -0.290 29.202 29.762 -0.451 0.000 1.377 1454 H HN 0.174 nan 8.280 nan 0.000 0.492 1455 K N -0.134 120.194 120.400 -0.120 0.000 2.089 1455 K HA -0.215 4.106 4.320 0.001 0.000 0.210 1455 K C 2.255 178.702 176.600 -0.256 0.000 1.048 1455 K CA 1.373 57.516 56.287 -0.239 0.000 0.926 1455 K CB -0.371 32.099 32.500 -0.050 0.000 0.714 1455 K HN 0.377 nan 8.250 nan 0.000 0.448 1456 A N 1.064 123.751 122.820 -0.223 0.000 1.865 1456 A HA -0.220 4.101 4.320 0.001 0.000 0.217 1456 A C 1.953 179.421 177.584 -0.194 0.000 1.191 1456 A CA 1.763 53.651 52.037 -0.248 0.000 0.623 1456 A CB -0.962 17.817 19.000 -0.368 0.000 0.826 1456 A HN 0.413 nan 8.150 nan 0.000 0.444 1457 H N -0.890 118.120 119.070 -0.100 0.000 2.290 1457 H HA -0.147 4.410 4.556 0.001 0.000 0.298 1457 H C 2.133 177.389 175.328 -0.119 0.000 1.087 1457 H CA 1.896 57.907 56.048 -0.061 0.000 1.291 1457 H CB -0.803 28.965 29.762 0.009 0.000 1.369 1457 H HN 0.416 nan 8.280 nan 0.000 0.492 1458 L N 0.826 121.974 121.223 -0.126 0.000 1.990 1458 L HA -0.192 4.149 4.340 0.001 0.000 0.213 1458 L C 2.316 179.099 176.870 -0.145 0.000 1.072 1458 L CA 2.202 56.925 54.840 -0.195 0.000 0.755 1458 L CB -1.155 40.667 42.059 -0.396 0.000 0.889 1458 L HN 0.177 nan 8.230 nan 0.000 0.432 1459 T N -0.179 114.250 114.554 -0.209 0.000 2.620 1459 T HA -0.339 4.011 4.350 0.001 0.000 0.267 1459 T C 1.985 176.691 174.700 0.011 0.000 1.044 1459 T CA 2.151 64.160 62.100 -0.151 0.000 1.161 1459 T CB -0.403 68.387 68.868 -0.129 0.000 0.862 1459 T HN 0.395 nan 8.240 nan 0.000 0.438 1460 R N 0.668 121.169 120.500 0.002 0.000 2.070 1460 R HA -0.047 4.293 4.340 0.001 0.000 0.233 1460 R C 2.726 179.056 176.300 0.051 0.000 1.137 1460 R CA 1.292 57.413 56.100 0.036 0.000 0.945 1460 R CB -0.113 30.219 30.300 0.054 0.000 0.845 1460 R HN 0.338 nan 8.270 nan 0.000 0.430 1461 R N 0.331 120.859 120.500 0.047 0.000 2.094 1461 R HA -0.181 4.160 4.340 0.001 0.000 0.239 1461 R C 2.450 178.788 176.300 0.063 0.000 1.137 1461 R CA 1.948 58.079 56.100 0.052 0.000 0.943 1461 R CB -0.594 29.732 30.300 0.044 0.000 0.850 1461 R HN 0.304 nan 8.270 nan 0.000 0.433 1462 L N 0.305 121.573 121.223 0.075 0.000 1.994 1462 L HA -0.207 4.134 4.340 0.001 0.000 0.208 1462 L C 2.572 179.513 176.870 0.118 0.000 1.071 1462 L CA 1.409 56.319 54.840 0.117 0.000 0.745 1462 L CB -0.468 41.698 42.059 0.178 0.000 0.892 1462 L HN 0.227 nan 8.230 nan 0.000 0.431 1463 I N -0.080 120.576 120.570 0.143 0.000 2.163 1463 I HA -0.292 3.879 4.170 0.001 0.000 0.240 1463 I C 2.181 178.308 176.117 0.016 0.000 1.081 1463 I CA 1.300 62.636 61.300 0.059 0.000 1.353 1463 I CB -0.130 37.894 38.000 0.039 0.000 1.054 1463 I HN 0.229 nan 8.210 nan 0.000 0.407 1464 L N 0.259 121.498 121.223 0.026 0.000 2.622 1464 L HA -0.074 4.266 4.340 0.001 0.000 0.233 1464 L C -0.212 176.673 176.870 0.025 0.000 1.156 1464 L CA 0.259 55.111 54.840 0.020 0.000 0.866 1464 L CB -0.918 41.160 42.059 0.030 0.000 0.980 1464 L HN 0.311 nan 8.230 nan 0.000 0.448 1465 D N 1.620 122.037 120.400 0.029 0.000 3.301 1465 D HA -0.201 4.440 4.640 0.001 0.000 0.220 1465 D C 0.549 176.870 176.300 0.036 0.000 1.173 1465 D CA 0.992 55.010 54.000 0.030 0.000 0.974 1465 D CB -0.450 40.359 40.800 0.015 0.000 0.853 1465 D HN 0.555 nan 8.370 nan 0.000 0.396 1466 I N -2.432 118.165 120.570 0.045 0.000 4.026 1466 I HA 0.113 4.284 4.170 0.001 0.000 0.324 1466 I C 0.192 176.338 176.117 0.049 0.000 1.474 1466 I CA -0.572 60.755 61.300 0.045 0.000 1.107 1466 I CB 0.554 38.581 38.000 0.046 0.000 1.345 1466 I HN -0.152 nan 8.210 nan 0.000 0.531 1467 S N 2.330 118.065 115.700 0.059 0.000 2.516 1467 S HA 0.423 4.894 4.470 0.001 0.000 0.282 1467 S C 1.531 176.165 174.600 0.057 0.000 1.286 1467 S CA 0.440 58.679 58.200 0.065 0.000 1.066 1467 S CB 1.642 64.901 63.200 0.098 0.000 0.884 1467 S HN 0.555 nan 8.310 nan 0.000 0.491 1468 A N 3.261 126.109 122.820 0.047 0.000 1.842 1468 A HA -0.107 4.213 4.320 0.001 0.000 0.217 1468 A C 1.009 178.622 177.584 0.048 0.000 1.206 1468 A CA 1.389 53.451 52.037 0.042 0.000 0.630 1468 A CB -0.254 18.766 19.000 0.034 0.000 0.839 1468 A HN 0.748 nan 8.150 nan 0.000 0.447 1469 D N -1.690 118.741 120.400 0.052 0.000 2.375 1469 D HA 0.390 5.030 4.640 0.001 0.000 0.247 1469 D C 0.795 177.134 176.300 0.064 0.000 1.061 1469 D CA 0.335 54.367 54.000 0.055 0.000 0.834 1469 D CB 1.903 42.734 40.800 0.052 0.000 1.247 1469 D HN 0.187 nan 8.370 nan 0.000 0.489 1470 S N 2.796 118.547 115.700 0.085 0.000 2.486 1470 S HA -0.033 4.438 4.470 0.001 0.000 0.220 1470 S C 1.369 176.011 174.600 0.070 0.000 1.011 1470 S CA -0.045 58.240 58.200 0.142 0.000 0.921 1470 S CB 0.359 63.692 63.200 0.221 0.000 0.785 1470 S HN 0.477 nan 8.310 nan 0.000 0.517 1471 E N 2.126 122.344 120.200 0.030 0.000 2.017 1471 E HA -0.065 4.286 4.350 0.001 0.000 0.193 1471 E C 1.958 178.479 176.600 -0.133 0.000 0.997 1471 E CA 1.353 57.734 56.400 -0.031 0.000 0.804 1471 E CB -0.390 29.315 29.700 0.008 0.000 0.757 1471 E HN 0.603 nan 8.360 nan 0.000 0.448 1472 I N 0.868 121.399 120.570 -0.065 0.000 2.118 1472 I HA -0.300 3.870 4.170 0.001 0.000 0.241 1472 I C 2.585 178.563 176.117 -0.232 0.000 1.070 1472 I CA 1.452 62.702 61.300 -0.083 0.000 1.327 1472 I CB -0.441 37.603 38.000 0.074 0.000 1.034 1472 I HN 0.110 nan 8.210 nan 0.000 0.405 1473 E N 1.274 121.383 120.200 -0.153 0.000 2.086 1473 E HA -0.310 4.041 4.350 0.001 0.000 0.200 1473 E C 2.031 178.332 176.600 -0.499 0.000 1.012 1473 E CA 1.985 58.267 56.400 -0.197 0.000 0.812 1473 E CB -0.173 29.505 29.700 -0.037 0.000 0.743 1473 E HN 0.455 nan 8.360 nan 0.000 0.453 1474 E N -0.042 119.708 120.200 -0.749 0.000 2.047 1474 E HA -0.105 4.245 4.350 0.001 0.000 0.191 1474 E C 0.404 176.582 176.600 -0.703 0.000 0.987 1474 E CA 0.380 56.165 56.400 -1.025 0.000 0.799 1474 E CB -0.068 29.092 29.700 -0.900 0.000 0.752 1474 E HN 0.358 nan 8.360 nan 0.000 0.449 1478 E N 0.315 120.364 120.200 -0.251 0.000 2.076 1478 E HA -0.076 4.274 4.350 0.001 0.000 0.190 1478 E C 1.757 178.366 176.600 0.014 0.000 0.979 1478 E CA 1.691 58.003 56.400 -0.146 0.000 0.807 1478 E CB -0.089 29.482 29.700 -0.214 0.000 0.761 1478 E HN 0.674 nan 8.360 nan 0.000 0.454 1479 W N 0.343 121.644 121.300 0.001 0.000 2.468 1479 W HA -0.041 4.620 4.660 0.001 0.000 0.262 1479 W C 1.667 178.205 176.519 0.031 0.000 1.241 1479 W CA 0.444 57.797 57.345 0.012 0.000 1.232 1479 W CB -0.829 28.636 29.460 0.009 0.000 1.124 1479 W HN 0.175 nan 8.180 nan 0.000 0.597 1480 L N -0.341 121.017 121.223 0.225 0.000 2.162 1480 L HA -0.062 4.279 4.340 0.001 0.000 0.205 1480 L C 2.767 179.733 176.870 0.161 0.000 1.086 1480 L CA 0.988 55.949 54.840 0.202 0.000 0.778 1480 L CB -0.569 41.619 42.059 0.215 0.000 0.928 1480 L HN -0.159 nan 8.230 nan 0.000 0.446 1481 R N 0.451 121.023 120.500 0.120 0.000 2.096 1481 R HA -0.182 4.159 4.340 0.001 0.000 0.235 1481 R C 1.964 178.319 176.300 0.092 0.000 1.127 1481 R CA 1.451 57.607 56.100 0.093 0.000 0.968 1481 R CB -0.015 30.320 30.300 0.058 0.000 0.861 1481 R HN 0.368 nan 8.270 nan 0.000 0.440 1482 E N -0.097 120.170 120.200 0.112 0.000 2.017 1482 E HA -0.151 4.200 4.350 0.001 0.000 0.193 1482 E C 1.567 178.212 176.600 0.076 0.000 0.997 1482 E CA 1.694 58.154 56.400 0.101 0.000 0.804 1482 E CB 0.029 29.814 29.700 0.142 0.000 0.757 1482 E HN 0.147 nan 8.360 nan 0.000 0.448 1483 V N 0.857 120.821 119.914 0.083 0.000 3.546 1483 V HA 0.001 4.122 4.120 0.001 0.000 0.272 1483 V C 0.871 176.990 176.094 0.041 0.000 1.228 1483 V CA 0.731 63.058 62.300 0.046 0.000 1.184 1483 V CB -1.716 30.129 31.823 0.036 0.000 0.886 1483 V HN 0.513 nan 8.190 nan 0.000 0.508 1487 A N 1.042 123.916 122.820 0.090 0.000 1.903 1487 A HA -0.260 4.060 4.320 0.001 0.000 0.219 1487 A C 1.674 179.302 177.584 0.073 0.000 1.191 1487 A CA 2.557 54.637 52.037 0.072 0.000 0.638 1487 A CB -0.596 18.434 19.000 0.051 0.000 0.823 1487 A HN 0.685 nan 8.150 nan 0.000 0.451 1488 D N -1.705 118.744 120.400 0.081 0.000 2.088 1488 D HA -0.192 4.449 4.640 0.001 0.000 0.191 1488 D C 1.743 178.099 176.300 0.093 0.000 0.992 1488 D CA 1.826 55.871 54.000 0.074 0.000 0.831 1488 D CB -0.779 40.066 40.800 0.075 0.000 0.973 1488 D HN 0.578 nan 8.370 nan 0.000 0.447 1489 Y N 1.762 122.066 120.300 0.006 0.000 2.040 1489 Y HA -0.301 4.249 4.550 0.001 0.000 0.275 1489 Y C 2.323 178.221 175.900 -0.003 0.000 1.171 1489 Y CA 1.486 59.586 58.100 -0.001 0.000 1.123 1489 Y CB -0.672 37.801 38.460 0.021 0.000 0.963 1489 Y HN -0.162 nan 8.280 nan 0.000 0.493 1490 V N 0.953 120.904 119.914 0.063 0.000 2.282 1490 V HA -0.383 3.738 4.120 0.001 0.000 0.249 1490 V C 2.183 178.217 176.094 -0.101 0.000 1.057 1490 V CA 2.336 64.606 62.300 -0.049 0.000 1.032 1490 V CB -0.919 30.939 31.823 0.058 0.000 0.645 1490 V HN 0.445 nan 8.190 nan 0.000 0.447 1491 N N -0.085 118.589 118.700 -0.044 0.000 2.120 1491 N HA -0.142 4.599 4.740 0.001 0.000 0.188 1491 N C 1.798 177.262 175.510 -0.077 0.000 1.024 1491 N CA 1.273 54.298 53.050 -0.042 0.000 0.852 1491 N CB -0.242 38.240 38.487 -0.007 0.000 1.003 1491 N HN 0.471 nan 8.380 nan 0.000 0.424 1492 K N 0.438 120.772 120.400 -0.111 0.000 2.009 1492 K HA -0.106 4.215 4.320 0.001 0.000 0.210 1492 K C 2.045 178.507 176.600 -0.229 0.000 1.049 1492 K CA 0.935 57.133 56.287 -0.148 0.000 0.929 1492 K CB -0.489 31.912 32.500 -0.166 0.000 0.714 1492 K HN 0.218 nan 8.250 nan 0.000 0.440 1493 L N 0.725 121.753 121.223 -0.326 0.000 2.013 1493 L HA -0.253 4.088 4.340 0.001 0.000 0.212 1493 L C 2.717 179.484 176.870 -0.171 0.000 1.073 1493 L CA 1.386 56.024 54.840 -0.337 0.000 0.753 1493 L CB -0.852 40.970 42.059 -0.394 0.000 0.890 1493 L HN 0.237 nan 8.230 nan 0.000 0.432 1494 A N -0.143 122.605 122.820 -0.121 0.000 1.892 1494 A HA -0.218 4.103 4.320 0.001 0.000 0.218 1494 A C 1.749 179.355 177.584 0.038 0.000 1.188 1494 A CA 1.190 53.206 52.037 -0.035 0.000 0.631 1494 A CB -0.447 18.530 19.000 -0.037 0.000 0.822 1494 A HN 0.290 nan 8.150 nan 0.000 0.447 1498 Q N 0.931 120.798 119.800 0.112 0.000 2.061 1498 Q HA -0.214 4.126 4.340 0.001 0.000 0.204 1498 Q C 1.259 177.247 176.000 -0.020 0.000 0.984 1498 Q CA 2.280 58.105 55.803 0.036 0.000 0.846 1498 Q CB -0.284 28.504 28.738 0.083 0.000 0.902 1498 Q HN 0.405 nan 8.270 nan 0.000 0.421 1499 D N 0.605 121.039 120.400 0.057 0.000 2.154 1499 D HA -0.218 4.423 4.640 0.001 0.000 0.190 1499 D C 1.776 178.045 176.300 -0.053 0.000 1.003 1499 D CA 1.225 55.243 54.000 0.031 0.000 0.849 1499 D CB -0.351 40.518 40.800 0.115 0.000 0.942 1499 D HN 0.278 nan 8.370 nan 0.000 0.446 1500 I N 0.703 121.229 120.570 -0.073 0.000 2.315 1500 I HA -0.292 3.878 4.170 0.001 0.000 0.251 1500 I C 2.256 178.280 176.117 -0.155 0.000 1.125 1500 I CA 1.186 62.403 61.300 -0.137 0.000 1.392 1500 I CB -0.147 37.741 38.000 -0.187 0.000 1.065 1500 I HN 0.065 nan 8.210 nan 0.000 0.424 1501 K N 0.298 120.591 120.400 -0.178 0.000 1.991 1501 K HA -0.069 4.251 4.320 0.001 0.000 0.207 1501 K C 2.040 178.609 176.600 -0.051 0.000 1.045 1501 K CA 1.108 57.323 56.287 -0.119 0.000 0.937 1501 K CB -0.311 32.123 32.500 -0.110 0.000 0.720 1501 K HN 0.110 nan 8.250 nan 0.000 0.438 1502 V N 1.343 121.238 119.914 -0.033 0.000 2.546 1502 V HA -0.241 3.880 4.120 0.001 0.000 0.254 1502 V C 2.365 178.465 176.094 0.011 0.000 1.076 1502 V CA 1.887 64.191 62.300 0.006 0.000 1.087 1502 V CB -0.361 31.473 31.823 0.018 0.000 0.674 1502 V HN 0.344 nan 8.190 nan 0.000 0.470 1503 S N -0.943 114.739 115.700 -0.030 0.000 2.406 1503 S HA -0.120 4.351 4.470 0.001 0.000 0.224 1503 S C 1.958 176.550 174.600 -0.013 0.000 1.030 1503 S CA 1.075 59.253 58.200 -0.038 0.000 0.958 1503 S CB -0.054 63.081 63.200 -0.108 0.000 0.811 1503 S HN 0.655 nan 8.310 nan 0.000 0.489 1504 E N 0.766 120.951 120.200 -0.025 0.000 2.118 1504 E HA -0.148 4.203 4.350 0.001 0.000 0.195 1504 E C 1.324 177.940 176.600 0.027 0.000 0.992 1504 E CA 1.680 58.075 56.400 -0.008 0.000 0.804 1504 E CB 0.014 29.700 29.700 -0.023 0.000 0.741 1504 E HN 0.480 nan 8.360 nan 0.000 0.458 1505 D N -0.289 120.134 120.400 0.039 0.000 2.113 1505 D HA -0.116 4.524 4.640 0.001 0.000 0.206 1505 D C 1.767 178.141 176.300 0.123 0.000 0.979 1505 D CA 0.426 54.468 54.000 0.070 0.000 0.862 1505 D CB -0.579 40.259 40.800 0.063 0.000 1.013 1505 D HN 0.032 nan 8.370 nan 0.000 0.455 1506 L N 1.274 122.585 121.223 0.146 0.000 2.171 1506 L HA -0.273 4.067 4.340 0.001 0.000 0.216 1506 L C 1.742 178.796 176.870 0.307 0.000 1.084 1506 L CA 1.653 56.646 54.840 0.254 0.000 0.771 1506 L CB -0.800 41.383 42.059 0.206 0.000 0.890 1506 L HN 0.080 nan 8.230 nan 0.000 0.437 1507 N N -0.944 117.853 118.700 0.161 0.000 2.083 1507 N HA -0.205 4.536 4.740 0.001 0.000 0.190 1507 N C 1.799 177.393 175.510 0.140 0.000 1.047 1507 N CA 1.811 54.930 53.050 0.116 0.000 0.845 1507 N CB -0.316 38.196 38.487 0.043 0.000 1.025 1507 N HN 0.448 nan 8.380 nan 0.000 0.428 1508 Q N -0.317 119.546 119.800 0.104 0.000 2.217 1508 Q HA -0.199 4.142 4.340 0.001 0.000 0.209 1508 Q C 2.046 178.097 176.000 0.085 0.000 0.988 1508 Q CA 1.859 57.711 55.803 0.082 0.000 0.878 1508 Q CB -0.354 28.421 28.738 0.062 0.000 0.909 1508 Q HN 0.576 nan 8.270 nan 0.000 0.424 1509 A N 0.657 123.562 122.820 0.142 0.000 1.845 1509 A HA -0.215 4.106 4.320 0.001 0.000 0.215 1509 A C 1.856 179.449 177.584 0.015 0.000 1.195 1509 A CA 1.394 53.532 52.037 0.168 0.000 0.616 1509 A CB -0.974 18.260 19.000 0.389 0.000 0.832 1509 A HN 0.496 nan 8.150 nan 0.000 0.443 1510 F N 0.795 120.525 119.950 -0.366 0.000 2.192 1510 F HA -0.190 4.338 4.527 0.001 0.000 0.301 1510 F C 2.101 177.757 175.800 -0.239 0.000 1.079 1510 F CA 2.084 59.650 58.000 -0.725 0.000 1.303 1510 F CB -0.094 38.420 39.000 -0.811 0.000 1.024 1510 F HN 0.153 nan 8.300 nan 0.000 0.494 1511 K N 0.182 120.556 120.400 -0.043 0.000 2.026 1511 K HA -0.129 4.191 4.320 0.001 0.000 0.208 1511 K C 0.922 177.442 176.600 -0.134 0.000 1.048 1511 K CA 1.289 57.535 56.287 -0.068 0.000 0.929 1511 K CB -0.222 32.288 32.500 0.016 0.000 0.713 1511 K HN 0.398 nan 8.250 nan 0.000 0.439 1515 K N 1.542 121.866 120.400 -0.127 0.000 2.288 1515 K HA -0.047 4.273 4.320 0.001 0.000 0.201 1515 K C 0.363 176.927 176.600 -0.059 0.000 1.048 1515 K CA 0.852 57.091 56.287 -0.080 0.000 0.956 1515 K CB 0.282 32.740 32.500 -0.070 0.000 0.746 1515 K HN 0.171 nan 8.250 nan 0.000 0.461 1516 N N 1.120 119.780 118.700 -0.068 0.000 3.229 1516 N HA 0.052 4.793 4.740 0.001 0.000 0.275 1516 N C -0.840 174.661 175.510 -0.016 0.000 1.225 1516 N CA -0.373 52.650 53.050 -0.044 0.000 1.119 1516 N CB 0.058 38.512 38.487 -0.054 0.000 1.392 1516 N HN 0.006 nan 8.380 nan 0.000 0.520 1521 L N 0.634 121.866 121.223 0.015 0.000 2.335 1521 L HA 0.540 4.880 4.340 0.001 0.000 0.268 1521 L C -2.100 174.778 176.870 0.014 0.000 1.016 1521 L CA -2.443 52.409 54.840 0.020 0.000 0.805 1521 L CB 0.432 42.507 42.059 0.028 0.000 1.311 1521 L HN -0.009 nan 8.230 nan 0.000 0.456 1522 P HA -0.026 nan 4.420 nan 0.000 0.273 1522 P C -0.230 177.073 177.300 0.005 0.000 1.252 1522 P CA 0.100 63.205 63.100 0.008 0.000 0.809 1522 P CB 0.475 32.183 31.700 0.012 0.000 1.017 1523 A N 0.234 123.052 122.820 -0.005 0.000 1.864 1523 A HA -0.055 4.266 4.320 0.001 0.000 0.213 1523 A C 1.387 178.974 177.584 0.006 0.000 1.266 1523 A CA 1.160 53.187 52.037 -0.017 0.000 0.612 1523 A CB -1.110 17.868 19.000 -0.036 0.000 0.940 1523 A HN 0.488 nan 8.150 nan 0.000 0.463 1524 D N 0.227 120.631 120.400 0.007 0.000 2.348 1524 D HA 0.058 4.699 4.640 0.001 0.000 0.248 1524 D C 0.988 177.304 176.300 0.026 0.000 1.142 1524 D CA 0.610 54.621 54.000 0.019 0.000 0.904 1524 D CB 0.226 41.034 40.800 0.013 0.000 0.901 1524 D HN 0.288 nan 8.370 nan 0.000 0.523 1525 S N -0.360 115.357 115.700 0.029 0.000 2.554 1525 S HA 0.144 4.615 4.470 0.001 0.000 0.226 1525 S C 0.065 174.688 174.600 0.038 0.000 0.980 1525 S CA -0.278 57.940 58.200 0.031 0.000 0.939 1525 S CB 0.429 63.645 63.200 0.027 0.000 0.832 1525 S HN -0.115 nan 8.310 nan 0.000 0.486 1526 V N 2.918 122.865 119.914 0.055 0.000 2.462 1526 V HA 0.471 4.592 4.120 0.001 0.000 0.288 1526 V C -0.652 175.491 176.094 0.082 0.000 1.020 1526 V CA -1.066 61.275 62.300 0.068 0.000 0.857 1526 V CB 1.547 33.431 31.823 0.102 0.000 1.013 1526 V HN 0.273 nan 8.190 nan 0.000 0.431 1527 N N 3.763 122.483 118.700 0.033 0.000 2.477 1527 N HA 0.737 5.477 4.740 0.001 0.000 0.284 1527 N C -0.827 174.654 175.510 -0.048 0.000 1.182 1527 N CA -0.349 52.708 53.050 0.012 0.000 0.949 1527 N CB 2.283 40.771 38.487 0.002 0.000 1.204 1527 N HN 0.522 nan 8.380 nan 0.000 0.526 1528 I N 0.155 120.675 120.570 -0.083 0.000 2.969 1528 I HA 0.425 4.596 4.170 0.001 0.000 0.307 1528 I C -0.513 175.522 176.117 -0.137 0.000 1.149 1528 I CA -0.736 60.478 61.300 -0.143 0.000 1.008 1528 I CB 2.440 40.282 38.000 -0.264 0.000 1.232 1528 I HN 0.103 nan 8.210 nan 0.000 0.435 1529 K N 4.809 125.098 120.400 -0.185 0.000 2.535 1529 K HA 0.623 4.943 4.320 0.001 0.000 0.250 1529 K C -1.488 174.904 176.600 -0.348 0.000 0.948 1529 K CA -0.479 55.663 56.287 -0.242 0.000 0.796 1529 K CB 2.831 35.176 32.500 -0.258 0.000 1.216 1529 K HN 0.480 nan 8.250 nan 0.000 0.432 1530 I N 5.472 125.831 120.570 -0.352 0.000 2.437 1530 I HA 0.287 4.458 4.170 0.001 0.000 0.279 1530 I C -0.674 175.177 176.117 -0.445 0.000 1.028 1530 I CA -0.655 60.376 61.300 -0.447 0.000 1.142 1530 I CB 0.818 38.565 38.000 -0.421 0.000 1.266 1530 I HN 0.312 nan 8.210 nan 0.000 0.461 1531 L N 5.934 126.792 121.223 -0.608 0.000 2.344 1531 L HA 0.507 4.848 4.340 0.001 0.000 0.272 1531 L C 0.258 176.850 176.870 -0.464 0.000 1.035 1531 L CA -0.788 53.605 54.840 -0.744 0.000 0.807 1531 L CB 1.205 42.235 42.059 -1.715 0.000 1.237 1531 L HN 0.602 nan 8.230 nan 0.000 0.442 1532 N N 1.272 119.855 118.700 -0.195 0.000 2.455 1532 N HA 0.250 4.990 4.740 0.001 0.000 0.280 1532 N C 0.718 176.264 175.510 0.061 0.000 1.055 1532 N CA -0.104 52.911 53.050 -0.059 0.000 0.961 1532 N CB 2.122 40.617 38.487 0.012 0.000 1.121 1532 N HN 0.791 nan 8.380 nan 0.000 0.476 1533 A N 3.626 126.457 122.820 0.019 0.000 1.971 1533 A HA -0.217 4.104 4.320 0.001 0.000 0.222 1533 A C 2.071 179.717 177.584 0.103 0.000 1.182 1533 A CA 2.198 54.276 52.037 0.069 0.000 0.649 1533 A CB -1.500 17.534 19.000 0.057 0.000 0.818 1533 A HN 0.920 nan 8.150 nan 0.000 0.458 1534 G N -1.043 107.811 108.800 0.089 0.000 2.469 1534 G HA2 -0.030 3.931 3.960 0.001 0.000 0.219 1534 G HA3 -0.030 3.931 3.960 0.001 0.000 0.219 1534 G C 1.546 176.497 174.900 0.084 0.000 1.150 1534 G CA 1.529 46.674 45.100 0.075 0.000 0.763 1534 G HN 1.059 nan 8.290 nan 0.000 0.561 1535 A N -1.652 121.254 122.820 0.143 0.000 2.252 1535 A HA 0.446 4.766 4.320 0.001 0.000 0.213 1535 A C 1.559 179.120 177.584 -0.039 0.000 1.188 1535 A CA 0.257 52.320 52.037 0.043 0.000 0.863 1535 A CB -0.026 18.978 19.000 0.006 0.000 0.893 1535 A HN 0.384 nan 8.150 nan 0.000 0.495 1536 W N 0.867 122.139 121.300 -0.047 0.000 3.770 1536 W HA 0.271 4.931 4.660 0.001 0.000 0.434 1536 W C 1.326 177.829 176.519 -0.028 0.000 2.680 1536 W CA 0.957 58.272 57.345 -0.051 0.000 1.413 1536 W CB -1.271 28.151 29.460 -0.063 0.000 2.116 1536 W HN 0.179 nan 8.180 nan 0.000 0.469 1537 S N 3.149 119.041 115.700 0.319 0.000 3.551 1537 S HA -0.190 4.281 4.470 0.001 0.000 0.425 1537 S C 0.419 175.076 174.600 0.095 0.000 1.149 1537 S CA 0.142 58.471 58.200 0.216 0.000 0.912 1537 S CB 0.087 63.384 63.200 0.161 0.000 0.641 1537 S HN 0.300 nan 8.310 nan 0.000 0.481 1538 R N 1.918 122.455 120.500 0.062 0.000 2.978 1538 R HA 0.388 4.728 4.340 0.001 0.000 0.298 1538 R C 0.381 176.679 176.300 -0.003 0.000 1.296 1538 R CA 0.078 56.184 56.100 0.009 0.000 1.181 1538 R CB -0.488 29.799 30.300 -0.021 0.000 1.348 1538 R HN 0.770 nan 8.270 nan 0.000 0.585 1539 S N -1.269 114.429 115.700 -0.004 0.000 2.815 1539 S HA 0.398 4.869 4.470 0.001 0.000 0.296 1539 S C -0.989 173.569 174.600 -0.071 0.000 1.224 1539 S CA -0.038 58.139 58.200 -0.038 0.000 0.938 1539 S CB 1.309 64.482 63.200 -0.045 0.000 1.285 1539 S HN 0.040 nan 8.310 nan 0.000 0.549 1540 S N 0.700 116.337 115.700 -0.105 0.000 4.489 1540 S HA 0.119 4.589 4.470 0.001 0.000 0.054 1540 S C -1.222 173.298 174.600 -0.134 0.000 0.861 1540 S CA 0.057 58.171 58.200 -0.143 0.000 0.867 1540 S CB -0.726 62.397 63.200 -0.128 0.000 0.619 1540 S HN 0.717 nan 8.310 nan 0.000 0.781 1541 E N 2.146 122.267 120.200 -0.132 0.000 2.231 1541 E HA 0.451 4.802 4.350 0.001 0.000 0.277 1541 E C -0.465 176.035 176.600 -0.166 0.000 0.999 1541 E CA -0.610 55.719 56.400 -0.118 0.000 0.827 1541 E CB 0.725 30.376 29.700 -0.081 0.000 1.101 1541 E HN 0.325 nan 8.360 nan 0.000 0.393 1542 K N 2.814 123.096 120.400 -0.197 0.000 2.312 1542 K HA 0.281 4.602 4.320 0.001 0.000 0.287 1542 K C -0.964 175.311 176.600 -0.541 0.000 1.062 1542 K CA -0.494 55.592 56.287 -0.335 0.000 0.934 1542 K CB 1.119 33.432 32.500 -0.311 0.000 1.027 1542 K HN 0.270 nan 8.250 nan 0.000 0.478 1543 V N 4.033 123.632 119.914 -0.526 0.000 2.656 1543 V HA 0.492 4.613 4.120 0.001 0.000 0.307 1543 V C -0.779 175.006 176.094 -0.514 0.000 1.051 1543 V CA -1.102 60.926 62.300 -0.453 0.000 0.893 1543 V CB 0.973 32.803 31.823 0.010 0.000 0.999 1543 V HN 0.487 nan 8.190 nan 0.000 0.426 1544 F N 2.529 122.447 119.950 -0.054 0.000 2.508 1544 F HA 0.917 5.444 4.527 0.001 0.000 0.325 1544 F C -0.202 175.442 175.800 -0.260 0.000 1.090 1544 F CA -1.265 56.658 58.000 -0.128 0.000 0.945 1544 F CB 1.927 40.860 39.000 -0.112 0.000 1.156 1544 F HN 0.199 nan 8.300 nan 0.000 0.463 1545 V N 0.589 120.432 119.914 -0.118 0.000 2.852 1545 V HA 0.247 4.367 4.120 0.001 0.000 0.300 1545 V C -0.675 175.290 176.094 -0.215 0.000 1.205 1545 V CA -1.186 60.961 62.300 -0.254 0.000 0.940 1545 V CB 1.913 33.514 31.823 -0.369 0.000 1.047 1545 V HN 0.774 nan 8.190 nan 0.000 0.429 1546 S N 5.409 121.000 115.700 -0.182 0.000 2.465 1546 S HA 0.367 4.838 4.470 0.001 0.000 0.307 1546 S C -0.017 174.495 174.600 -0.148 0.000 1.187 1546 S CA -0.197 57.917 58.200 -0.144 0.000 1.141 1546 S CB -0.394 62.734 63.200 -0.120 0.000 1.108 1546 S HN 0.460 nan 8.310 nan 0.000 0.525 1547 L N 6.086 127.217 121.223 -0.154 0.000 2.349 1547 L HA 0.359 4.700 4.340 0.001 0.000 0.275 1547 L C -1.505 175.311 176.870 -0.089 0.000 1.115 1547 L CA -1.919 52.831 54.840 -0.151 0.000 0.820 1547 L CB 0.323 42.283 42.059 -0.165 0.000 1.135 1547 L HN 0.336 nan 8.230 nan 0.000 0.445 1548 P HA -0.015 nan 4.420 nan 0.000 0.272 1548 P C 0.493 177.805 177.300 0.021 0.000 1.230 1548 P CA -0.310 62.823 63.100 0.055 0.000 0.788 1548 P CB 0.944 32.754 31.700 0.184 0.000 0.949 1549 T N 0.511 115.090 114.554 0.040 0.000 2.759 1549 T HA -0.185 4.165 4.350 0.001 0.000 0.269 1549 T C 1.349 176.051 174.700 0.003 0.000 1.042 1549 T CA 1.927 64.032 62.100 0.009 0.000 1.140 1549 T CB -0.520 68.355 68.868 0.012 0.000 0.864 1549 T HN 0.411 nan 8.240 nan 0.000 0.455 1550 E N 0.912 121.133 120.200 0.034 0.000 2.187 1550 E HA -0.096 4.254 4.350 0.001 0.000 0.199 1550 E C 2.014 178.606 176.600 -0.013 0.000 1.004 1550 E CA 1.103 57.519 56.400 0.026 0.000 0.813 1550 E CB -0.348 29.392 29.700 0.067 0.000 0.736 1550 E HN 0.528 nan 8.360 nan 0.000 0.468 1551 L N -0.232 120.968 121.223 -0.039 0.000 2.286 1551 L HA 0.039 4.379 4.340 0.001 0.000 0.203 1551 L C 2.237 179.032 176.870 -0.125 0.000 1.068 1551 L CA 0.310 55.099 54.840 -0.084 0.000 0.811 1551 L CB -0.260 41.743 42.059 -0.093 0.000 0.989 1551 L HN -0.002 nan 8.230 nan 0.000 0.467 1552 E N 0.940 121.076 120.200 -0.107 0.000 2.086 1552 E HA -0.258 4.092 4.350 0.001 0.000 0.200 1552 E C 1.665 178.194 176.600 -0.119 0.000 1.012 1552 E CA 1.598 57.925 56.400 -0.121 0.000 0.812 1552 E CB -0.178 29.472 29.700 -0.082 0.000 0.743 1552 E HN 0.416 nan 8.360 nan 0.000 0.453 1553 D N 0.319 120.673 120.400 -0.077 0.000 2.149 1553 D HA -0.167 4.474 4.640 0.001 0.000 0.198 1553 D C 2.090 178.347 176.300 -0.072 0.000 0.990 1553 D CA 0.532 54.498 54.000 -0.056 0.000 0.839 1553 D CB -0.235 40.549 40.800 -0.027 0.000 0.948 1553 D HN 0.127 nan 8.370 nan 0.000 0.460 1554 L N 0.904 122.067 121.223 -0.101 0.000 2.093 1554 L HA -0.068 4.272 4.340 0.001 0.000 0.208 1554 L C 2.117 178.858 176.870 -0.214 0.000 1.085 1554 L CA 1.136 55.906 54.840 -0.116 0.000 0.755 1554 L CB -0.405 41.586 42.059 -0.113 0.000 0.904 1554 L HN -0.043 nan 8.230 nan 0.000 0.435 1555 I N 0.913 121.264 120.570 -0.366 0.000 2.151 1555 I HA -0.209 3.962 4.170 0.001 0.000 0.243 1555 I C -0.375 175.567 176.117 -0.292 0.000 1.080 1555 I CA 1.543 62.455 61.300 -0.647 0.000 1.339 1555 I CB -1.868 35.645 38.000 -0.812 0.000 1.039 1555 I HN 0.323 nan 8.210 nan 0.000 0.409 1556 P HA -0.086 nan 4.420 nan 0.000 0.231 1556 P C 1.248 178.599 177.300 0.084 0.000 1.168 1556 P CA 1.191 64.296 63.100 0.008 0.000 0.779 1556 P CB 0.184 31.887 31.700 0.006 0.000 0.844 1557 E N 0.422 120.658 120.200 0.059 0.000 2.106 1557 E HA -0.079 4.272 4.350 0.001 0.000 0.192 1557 E C 1.892 178.644 176.600 0.254 0.000 0.984 1557 E CA 0.872 57.353 56.400 0.135 0.000 0.806 1557 E CB -0.947 28.783 29.700 0.051 0.000 0.750 1557 E HN -0.042 nan 8.360 nan 0.000 0.458 1558 V N 0.541 120.554 119.914 0.165 0.000 2.951 1558 V HA -0.081 4.039 4.120 0.001 0.000 0.255 1558 V C 1.720 178.017 176.094 0.338 0.000 1.088 1558 V CA 1.352 63.762 62.300 0.184 0.000 1.109 1558 V CB -0.269 31.590 31.823 0.061 0.000 0.724 1558 V HN 0.237 nan 8.190 nan 0.000 0.471 1559 E N -0.047 120.341 120.200 0.313 0.000 2.216 1559 E HA -0.194 4.156 4.350 0.001 0.000 0.192 1559 E C 2.137 178.904 176.600 0.279 0.000 0.988 1559 E CA 0.928 57.509 56.400 0.301 0.000 0.834 1559 E CB 0.135 29.990 29.700 0.259 0.000 0.772 1559 E HN 0.681 nan 8.360 nan 0.000 0.479 1560 E N 0.357 120.725 120.200 0.281 0.000 2.076 1560 E HA -0.161 4.190 4.350 0.001 0.000 0.190 1560 E C 1.809 178.588 176.600 0.299 0.000 0.979 1560 E CA 0.476 57.027 56.400 0.251 0.000 0.807 1560 E CB -0.073 29.772 29.700 0.241 0.000 0.761 1560 E HN 0.180 nan 8.360 nan 0.000 0.454 1561 F N 0.484 120.614 119.950 0.300 0.000 2.216 1561 F HA -0.210 4.317 4.527 0.001 0.000 0.300 1561 F C 1.937 177.897 175.800 0.266 0.000 1.085 1561 F CA 1.386 59.585 58.000 0.332 0.000 1.326 1561 F CB -0.412 38.922 39.000 0.557 0.000 1.027 1561 F HN 0.134 nan 8.300 nan 0.000 0.497 1562 Y N 1.266 121.564 120.300 -0.003 0.000 2.133 1562 Y HA -0.161 4.389 4.550 0.001 0.000 0.287 1562 Y C 2.595 178.453 175.900 -0.069 0.000 1.134 1562 Y CA 2.263 60.272 58.100 -0.151 0.000 1.133 1562 Y CB -0.772 37.626 38.460 -0.104 0.000 0.987 1562 Y HN 0.046 nan 8.280 nan 0.000 0.502 1563 K N 0.514 120.909 120.400 -0.008 0.000 2.281 1563 K HA -0.234 4.087 4.320 0.001 0.000 0.203 1563 K C 2.173 178.708 176.600 -0.109 0.000 1.046 1563 K CA 1.334 57.588 56.287 -0.055 0.000 0.938 1563 K CB -0.153 32.378 32.500 0.052 0.000 0.737 1563 K HN 0.253 nan 8.250 nan 0.000 0.458 1564 K N 0.177 120.503 120.400 -0.124 0.000 2.147 1564 K HA -0.129 4.191 4.320 0.001 0.000 0.205 1564 K C 1.107 177.593 176.600 -0.191 0.000 1.049 1564 K CA 1.590 57.801 56.287 -0.126 0.000 0.936 1564 K CB 0.172 32.606 32.500 -0.111 0.000 0.722 1564 K HN 0.246 nan 8.250 nan 0.000 0.446 1565 N N -1.006 117.523 118.700 -0.284 0.000 2.564 1565 N HA -0.018 4.723 4.740 0.001 0.000 0.202 1565 N C -0.178 175.030 175.510 -0.505 0.000 1.052 1565 N CA 0.275 53.089 53.050 -0.393 0.000 0.872 1565 N CB 0.226 38.401 38.487 -0.521 0.000 1.303 1565 N HN 0.240 nan 8.380 nan 0.000 0.440 1566 H N 1.178 119.941 119.070 -0.511 0.000 2.788 1566 H HA 0.250 4.807 4.556 0.001 0.000 0.254 1566 H C -0.120 175.010 175.328 -0.330 0.000 1.541 1566 H CA -0.127 55.619 56.048 -0.503 0.000 1.295 1566 H CB 0.444 29.632 29.762 -0.957 0.000 1.592 1566 H HN -0.007 nan 8.280 nan 0.000 0.545 1567 S N 1.552 117.176 115.700 -0.127 0.000 2.523 1567 S HA 0.391 4.861 4.470 0.001 0.000 0.275 1567 S C 1.365 175.948 174.600 -0.029 0.000 1.281 1567 S CA 0.520 58.681 58.200 -0.066 0.000 1.050 1567 S CB 0.527 63.689 63.200 -0.064 0.000 0.937 1567 S HN 0.951 nan 8.310 nan 0.000 0.492 1568 G N 4.692 113.492 108.800 -0.000 0.000 2.213 1568 G HA2 -0.181 3.780 3.960 0.001 0.000 0.226 1568 G HA3 -0.181 3.780 3.960 0.001 0.000 0.226 1568 G C 0.177 175.097 174.900 0.034 0.000 0.992 1568 G CA -0.038 45.070 45.100 0.014 0.000 0.632 1568 G HN 0.764 nan 8.290 nan 0.000 0.511 1569 R N -0.314 120.225 120.500 0.065 0.000 2.705 1569 R HA 0.853 5.194 4.340 0.001 0.000 0.246 1569 R C -0.249 176.099 176.300 0.081 0.000 1.142 1569 R CA -0.672 55.488 56.100 0.099 0.000 1.114 1569 R CB 0.954 31.386 30.300 0.219 0.000 1.256 1569 R HN 0.077 nan 8.270 nan 0.000 0.536 1570 K N 0.991 121.366 120.400 -0.041 0.000 2.568 1570 K HA 0.335 4.656 4.320 0.001 0.000 0.273 1570 K C -1.746 174.536 176.600 -0.529 0.000 0.951 1570 K CA -0.528 55.641 56.287 -0.196 0.000 0.854 1570 K CB 1.756 34.138 32.500 -0.197 0.000 1.424 1570 K HN 0.453 nan 8.250 nan 0.000 0.427 1571 L N 4.473 125.357 121.223 -0.565 0.000 2.287 1571 L HA 0.412 4.753 4.340 0.001 0.000 0.287 1571 L C -0.204 176.182 176.870 -0.807 0.000 1.022 1571 L CA -0.928 53.416 54.840 -0.826 0.000 0.814 1571 L CB 1.060 42.584 42.059 -0.890 0.000 1.217 1571 L HN 0.411 nan 8.230 nan 0.000 0.420 1572 H N 2.045 120.782 119.070 -0.555 0.000 2.519 1572 H HA 0.185 4.742 4.556 0.001 0.000 0.316 1572 H C -1.039 173.927 175.328 -0.603 0.000 1.065 1572 H CA -0.673 55.138 56.048 -0.394 0.000 1.264 1572 H CB 0.891 30.499 29.762 -0.256 0.000 1.413 1572 H HN 0.467 nan 8.280 nan 0.000 0.465 1573 W N 2.583 123.812 121.300 -0.118 0.000 2.335 1573 W HA 0.123 4.784 4.660 0.001 0.000 0.306 1573 W C 0.847 177.101 176.519 -0.442 0.000 1.216 1573 W CA -0.334 56.836 57.345 -0.292 0.000 1.237 1573 W CB 0.456 29.712 29.460 -0.340 0.000 1.243 1573 W HN 0.483 nan 8.180 nan 0.000 0.493 1574 H N 4.516 123.422 119.070 -0.273 0.000 2.820 1574 H HA 0.112 4.669 4.556 0.001 0.000 0.278 1574 H C 0.771 175.962 175.328 -0.228 0.000 1.142 1574 H CA 0.286 56.200 56.048 -0.224 0.000 1.346 1574 H CB 0.429 30.081 29.762 -0.183 0.000 1.438 1574 H HN 0.555 nan 8.280 nan 0.000 0.473 1575 H N 3.674 122.896 119.070 0.254 0.000 2.539 1575 H HA -0.038 4.519 4.556 0.001 0.000 0.267 1575 H C 0.686 176.100 175.328 0.144 0.000 0.982 1575 H CA -0.014 56.175 56.048 0.234 0.000 1.146 1575 H CB 0.694 30.635 29.762 0.297 0.000 1.382 1575 H HN 0.331 nan 8.280 nan 0.000 0.577 1579 N N 0.198 118.894 118.700 -0.007 0.000 2.972 1579 N HA 0.912 5.653 4.740 0.001 0.000 0.262 1579 N C -0.327 175.180 175.510 -0.005 0.000 1.478 1579 N CA -0.870 52.176 53.050 -0.007 0.000 0.841 1579 N CB 1.478 39.956 38.487 -0.014 0.000 1.512 1579 N HN 0.872 nan 8.380 nan 0.000 0.548 1580 G N -0.770 108.028 108.800 -0.004 0.000 2.430 1580 G HA2 0.445 4.405 3.960 0.001 0.000 0.300 1580 G HA3 0.445 4.405 3.960 0.001 0.000 0.300 1580 G C -1.809 173.099 174.900 0.013 0.000 1.330 1580 G CA -0.926 44.176 45.100 0.004 0.000 0.813 1580 G HN 0.567 nan 8.290 nan 0.000 0.487 1581 I N 0.703 121.290 120.570 0.028 0.000 2.525 1581 I HA 0.648 4.818 4.170 0.001 0.000 0.301 1581 I C -0.089 176.066 176.117 0.065 0.000 0.992 1581 I CA -0.965 60.362 61.300 0.044 0.000 1.162 1581 I CB 1.828 39.857 38.000 0.048 0.000 1.332 1581 I HN 0.629 nan 8.210 nan 0.000 0.458 1582 I N 0.671 121.295 120.570 0.089 0.000 2.656 1582 I HA 0.479 4.650 4.170 0.001 0.000 0.292 1582 I C -0.565 175.647 176.117 0.159 0.000 1.144 1582 I CA -0.437 60.944 61.300 0.136 0.000 1.038 1582 I CB 2.250 40.351 38.000 0.169 0.000 1.244 1582 I HN 0.299 nan 8.210 nan 0.000 0.420 1583 T N 5.572 120.223 114.554 0.161 0.000 2.869 1583 T HA 0.395 4.746 4.350 0.001 0.000 0.295 1583 T C -0.908 173.942 174.700 0.250 0.000 0.987 1583 T CA 0.220 62.421 62.100 0.168 0.000 1.109 1583 T CB 0.485 69.417 68.868 0.106 0.000 0.932 1583 T HN 0.412 nan 8.240 nan 0.000 0.518 1584 F N 4.734 124.729 119.950 0.074 0.000 2.445 1584 F HA 0.428 4.955 4.527 0.001 0.000 0.348 1584 F C -0.413 175.433 175.800 0.077 0.000 1.125 1584 F CA -1.978 56.065 58.000 0.071 0.000 0.983 1584 F CB 0.830 39.877 39.000 0.079 0.000 1.198 1584 F HN 0.229 nan 8.300 nan 0.000 0.436 1585 K N 5.738 126.334 120.400 0.327 0.000 2.171 1585 K HA 0.095 4.415 4.320 0.001 0.000 0.274 1585 K C 0.444 177.047 176.600 0.005 0.000 1.110 1585 K CA -0.102 56.224 56.287 0.065 0.000 0.952 1585 K CB 0.192 32.740 32.500 0.080 0.000 1.309 1585 K HN 0.651 nan 8.250 nan 0.000 0.414 1586 N N 2.315 120.830 118.700 -0.308 0.000 2.031 1586 N HA -0.054 4.687 4.740 0.001 0.000 0.226 1586 N C 0.480 175.966 175.510 -0.040 0.000 1.175 1586 N CA 0.671 53.580 53.050 -0.235 0.000 0.987 1586 N CB 0.427 38.748 38.487 -0.277 0.000 1.230 1586 N HN 0.669 nan 8.380 nan 0.000 0.452 1587 E N -1.777 118.405 120.200 -0.029 0.000 2.321 1587 E HA 0.119 4.470 4.350 0.001 0.000 0.158 1587 E C -0.944 175.654 176.600 -0.004 0.000 0.877 1587 E CA 0.013 56.409 56.400 -0.006 0.000 1.344 1587 E CB 0.053 29.765 29.700 0.021 0.000 1.630 1587 E HN 0.151 nan 8.360 nan 0.000 0.669 1588 V N 0.545 120.463 119.914 0.006 0.000 3.166 1588 V HA 0.517 4.638 4.120 0.001 0.000 0.332 1588 V C 0.425 176.515 176.094 -0.007 0.000 1.434 1588 V CA 0.367 62.684 62.300 0.028 0.000 1.121 1588 V CB 0.765 32.634 31.823 0.076 0.000 1.062 1588 V HN 0.392 nan 8.190 nan 0.000 0.489 1589 G N 1.556 110.290 108.800 -0.110 0.000 2.497 1589 G HA2 0.028 3.988 3.960 0.001 0.000 0.686 1589 G HA3 0.028 3.988 3.960 0.001 0.000 0.686 1589 G C -0.733 173.868 174.900 -0.497 0.000 1.288 1589 G CA -0.327 44.598 45.100 -0.292 0.000 0.899 1589 G HN 0.599 nan 8.290 nan 0.000 0.608 1590 Q N -0.563 118.910 119.800 -0.545 0.000 2.256 1590 Q HA 0.816 5.156 4.340 0.001 0.000 0.257 1590 Q C -0.807 174.787 176.000 -0.675 0.000 0.936 1590 Q CA -0.701 54.822 55.803 -0.466 0.000 0.903 1590 Q CB 1.442 30.055 28.738 -0.208 0.000 1.263 1590 Q HN 0.708 nan 8.270 nan 0.000 0.440 1591 Y N 0.014 120.286 120.300 -0.046 0.000 2.730 1591 Y HA 0.586 5.137 4.550 0.001 0.000 0.325 1591 Y C -0.649 175.320 175.900 0.115 0.000 1.132 1591 Y CA -1.312 56.827 58.100 0.064 0.000 1.206 1591 Y CB 1.635 40.197 38.460 0.170 0.000 1.390 1591 Y HN 0.605 nan 8.280 nan 0.000 0.555 1592 D N 1.105 121.686 120.400 0.302 0.000 2.473 1592 D HA 0.381 5.021 4.640 0.001 0.000 0.253 1592 D C -1.339 175.065 176.300 0.173 0.000 1.233 1592 D CA -0.234 53.884 54.000 0.196 0.000 0.908 1592 D CB 0.914 41.789 40.800 0.125 0.000 1.170 1592 D HN 0.299 nan 8.370 nan 0.000 0.558 1593 L N 1.658 122.972 121.223 0.152 0.000 2.265 1593 L HA 0.370 4.710 4.340 0.001 0.000 0.288 1593 L C 0.612 177.500 176.870 0.031 0.000 1.058 1593 L CA -0.543 54.337 54.840 0.066 0.000 0.809 1593 L CB 0.854 42.921 42.059 0.013 0.000 1.179 1593 L HN 0.138 nan 8.230 nan 0.000 0.429 1594 E N 3.555 123.758 120.200 0.004 0.000 2.105 1594 E HA 0.358 4.708 4.350 0.001 0.000 0.285 1594 E C -0.495 176.091 176.600 -0.023 0.000 1.055 1594 E CA -0.281 56.119 56.400 0.000 0.000 0.843 1594 E CB 1.354 31.056 29.700 0.003 0.000 1.067 1594 E HN 0.468 nan 8.360 nan 0.000 0.398 1595 V N 0.133 120.038 119.914 -0.014 0.000 3.167 1595 V HA 0.559 4.680 4.120 0.001 0.000 0.310 1595 V C 0.075 176.163 176.094 -0.009 0.000 1.207 1595 V CA -0.922 61.366 62.300 -0.020 0.000 1.059 1595 V CB 1.991 33.797 31.823 -0.028 0.000 1.079 1595 V HN 0.405 nan 8.190 nan 0.000 0.446 1596 T N 1.131 115.686 114.554 0.001 0.000 2.899 1596 T HA 0.304 4.655 4.350 0.001 0.000 0.284 1596 T C 1.349 176.079 174.700 0.049 0.000 1.004 1596 T CA 0.636 62.742 62.100 0.010 0.000 1.043 1596 T CB 1.293 70.153 68.868 -0.014 0.000 1.013 1596 T HN 1.005 nan 8.240 nan 0.000 0.518 1597 T N 2.630 117.239 114.554 0.092 0.000 2.665 1597 T HA -0.136 4.214 4.350 0.001 0.000 0.268 1597 T C 1.666 176.505 174.700 0.232 0.000 1.035 1597 T CA 1.540 63.726 62.100 0.144 0.000 1.151 1597 T CB -0.408 68.616 68.868 0.260 0.000 0.862 1597 T HN 0.489 nan 8.240 nan 0.000 0.438 1598 F N 1.850 121.794 119.950 -0.010 0.000 2.126 1598 F HA -0.105 4.422 4.527 0.001 0.000 0.299 1598 F C 2.642 178.424 175.800 -0.031 0.000 1.096 1598 F CA 0.722 58.714 58.000 -0.014 0.000 1.255 1598 F CB -1.117 37.896 39.000 0.023 0.000 0.997 1598 F HN 0.281 nan 8.300 nan 0.000 0.479 1599 Q N -0.513 119.396 119.800 0.182 0.000 2.079 1599 Q HA -0.185 4.155 4.340 0.001 0.000 0.200 1599 Q C 2.297 178.303 176.000 0.009 0.000 0.974 1599 Q CA 1.396 57.245 55.803 0.077 0.000 0.840 1599 Q CB -0.541 28.222 28.738 0.042 0.000 0.898 1599 Q HN 0.386 nan 8.270 nan 0.000 0.430 1600 L N 0.844 122.036 121.223 -0.052 0.000 1.994 1600 L HA -0.169 4.172 4.340 0.001 0.000 0.208 1600 L C 2.245 178.979 176.870 -0.226 0.000 1.071 1600 L CA 2.056 56.769 54.840 -0.212 0.000 0.745 1600 L CB -0.827 41.017 42.059 -0.358 0.000 0.892 1600 L HN 0.146 nan 8.230 nan 0.000 0.431 1601 A N -0.710 122.008 122.820 -0.170 0.000 1.881 1601 A HA -0.281 4.039 4.320 0.001 0.000 0.219 1601 A C 2.269 179.833 177.584 -0.034 0.000 1.215 1601 A CA 2.952 54.909 52.037 -0.132 0.000 0.648 1601 A CB -1.492 17.421 19.000 -0.144 0.000 0.832 1601 A HN 0.365 nan 8.150 nan 0.000 0.455 1602 V N 0.039 119.951 119.914 -0.003 0.000 2.261 1602 V HA -0.280 3.841 4.120 0.001 0.000 0.246 1602 V C 2.609 178.853 176.094 0.250 0.000 1.047 1602 V CA 2.067 64.402 62.300 0.058 0.000 1.015 1602 V CB -0.861 30.992 31.823 0.050 0.000 0.642 1602 V HN 0.579 nan 8.190 nan 0.000 0.446 1603 L N -1.333 120.030 121.223 0.232 0.000 2.013 1603 L HA -0.210 4.131 4.340 0.001 0.000 0.212 1603 L C 2.448 179.605 176.870 0.477 0.000 1.073 1603 L CA 1.691 56.713 54.840 0.303 0.000 0.753 1603 L CB -0.733 41.394 42.059 0.113 0.000 0.890 1603 L HN 0.245 nan 8.230 nan 0.000 0.432 1604 F N 0.442 120.446 119.950 0.090 0.000 2.373 1604 F HA -0.177 4.350 4.527 0.001 0.000 0.300 1604 F C 2.483 178.306 175.800 0.038 0.000 1.080 1604 F CA 0.693 58.728 58.000 0.059 0.000 1.417 1604 F CB -0.995 38.009 39.000 0.007 0.000 1.070 1604 F HN 0.036 nan 8.300 nan 0.000 0.546 1605 A N -1.054 121.863 122.820 0.160 0.000 2.070 1605 A HA -0.192 4.129 4.320 0.001 0.000 0.220 1605 A C 2.021 179.489 177.584 -0.193 0.000 1.159 1605 A CA 1.011 52.976 52.037 -0.121 0.000 0.656 1605 A CB -1.026 17.748 19.000 -0.376 0.000 0.800 1605 A HN 0.557 nan 8.150 nan 0.000 0.453 1606 W N -0.020 121.268 121.300 -0.019 0.000 3.003 1606 W HA 0.024 4.685 4.660 0.001 0.000 0.257 1606 W C 1.170 177.656 176.519 -0.055 0.000 1.308 1606 W CA 0.139 57.464 57.345 -0.032 0.000 1.529 1606 W CB -0.391 29.049 29.460 -0.033 0.000 1.115 1606 W HN 0.397 nan 8.180 nan 0.000 0.659 1607 N N 0.803 119.553 118.700 0.084 0.000 2.258 1607 N HA -0.195 4.546 4.740 0.001 0.000 0.187 1607 N C 1.379 176.877 175.510 -0.021 0.000 1.012 1607 N CA 1.446 54.476 53.050 -0.033 0.000 0.870 1607 N CB -0.201 38.170 38.487 -0.192 0.000 0.977 1607 N HN 0.227 nan 8.380 nan 0.000 0.434 1608 Q N -0.222 119.570 119.800 -0.014 0.000 2.247 1608 Q HA 0.185 4.526 4.340 0.001 0.000 0.211 1608 Q C -0.597 175.403 176.000 0.001 0.000 0.861 1608 Q CA 0.016 55.808 55.803 -0.017 0.000 0.949 1608 Q CB 0.555 29.273 28.738 -0.035 0.000 1.115 1608 Q HN 0.312 nan 8.270 nan 0.000 0.507 1609 R N -2.685 117.833 120.500 0.031 0.000 2.924 1609 R HA 0.309 4.650 4.340 0.001 0.000 0.233 1609 R C -2.736 173.666 176.300 0.170 0.000 1.685 1609 R CA -1.250 54.885 56.100 0.058 0.000 1.462 1609 R CB 0.524 30.824 30.300 0.000 0.000 1.542 1609 R HN -0.101 nan 8.270 nan 0.000 0.667 1610 P HA -0.125 nan 4.420 nan 0.000 0.210 1610 P C 0.619 178.057 177.300 0.230 0.000 1.191 1610 P CA 1.060 64.285 63.100 0.208 0.000 0.917 1610 P CB 0.144 31.915 31.700 0.119 0.000 0.778 1611 R N -0.509 120.081 120.500 0.150 0.000 2.377 1611 R HA -0.014 4.327 4.340 0.001 0.000 0.207 1611 R C 0.453 176.852 176.300 0.164 0.000 1.075 1611 R CA 0.548 56.727 56.100 0.131 0.000 1.035 1611 R CB -0.429 29.923 30.300 0.088 0.000 0.857 1611 R HN 0.365 nan 8.270 nan 0.000 0.475 1612 E N 1.247 121.581 120.200 0.222 0.000 2.342 1612 E HA 0.190 4.541 4.350 0.001 0.000 0.257 1612 E C -0.342 176.457 176.600 0.331 0.000 1.150 1612 E CA -0.175 56.349 56.400 0.206 0.000 0.926 1612 E CB 0.785 30.559 29.700 0.123 0.000 1.074 1612 E HN -0.049 nan 8.360 nan 0.000 0.449 1613 K N 1.099 121.643 120.400 0.240 0.000 2.274 1613 K HA 0.490 4.811 4.320 0.001 0.000 0.262 1613 K C -0.281 176.431 176.600 0.188 0.000 0.961 1613 K CA -0.344 56.125 56.287 0.303 0.000 0.833 1613 K CB 1.219 33.840 32.500 0.202 0.000 1.102 1613 K HN 0.303 nan 8.250 nan 0.000 0.436 1614 I N 2.253 122.934 120.570 0.185 0.000 2.392 1614 I HA 0.134 4.304 4.170 0.001 0.000 0.295 1614 I C 0.752 176.951 176.117 0.136 0.000 0.985 1614 I CA -0.609 60.671 61.300 -0.033 0.000 1.221 1614 I CB 1.711 39.443 38.000 -0.448 0.000 1.366 1614 I HN 0.643 nan 8.210 nan 0.000 0.467 1615 S N 4.605 120.356 115.700 0.085 0.000 2.624 1615 S HA 0.158 4.629 4.470 0.001 0.000 0.263 1615 S C 0.707 175.435 174.600 0.215 0.000 1.287 1615 S CA -0.419 57.883 58.200 0.171 0.000 0.990 1615 S CB 0.827 64.087 63.200 0.099 0.000 0.950 1615 S HN 0.629 nan 8.310 nan 0.000 0.561 1616 F N 0.895 120.946 119.950 0.168 0.000 2.259 1616 F HA 0.011 4.538 4.527 0.001 0.000 0.298 1616 F C 2.419 178.222 175.800 0.006 0.000 1.088 1616 F CA 1.771 59.841 58.000 0.116 0.000 1.358 1616 F CB -0.328 38.773 39.000 0.167 0.000 1.040 1616 F HN 0.873 nan 8.300 nan 0.000 0.505 1617 E N 0.673 120.843 120.200 -0.051 0.000 2.017 1617 E HA -0.294 4.056 4.350 0.001 0.000 0.193 1617 E C 2.094 178.557 176.600 -0.229 0.000 0.997 1617 E CA 1.402 57.700 56.400 -0.169 0.000 0.804 1617 E CB -0.857 28.829 29.700 -0.024 0.000 0.757 1617 E HN 0.519 nan 8.360 nan 0.000 0.448 1618 N N 0.720 119.330 118.700 -0.149 0.000 2.149 1618 N HA -0.176 4.564 4.740 0.001 0.000 0.188 1618 N C 2.322 177.689 175.510 -0.238 0.000 1.019 1618 N CA 0.857 53.805 53.050 -0.169 0.000 0.857 1618 N CB -0.209 38.196 38.487 -0.137 0.000 0.997 1618 N HN 0.220 nan 8.380 nan 0.000 0.426 1619 L N 0.913 121.965 121.223 -0.284 0.000 2.261 1619 L HA -0.130 4.211 4.340 0.001 0.000 0.216 1619 L C 2.342 179.006 176.870 -0.343 0.000 1.114 1619 L CA 1.017 55.657 54.840 -0.333 0.000 0.777 1619 L CB -0.131 41.712 42.059 -0.359 0.000 0.910 1619 L HN 0.160 nan 8.230 nan 0.000 0.440 1620 K N -0.646 119.517 120.400 -0.394 0.000 2.217 1620 K HA -0.148 4.173 4.320 0.001 0.000 0.202 1620 K C 1.888 178.339 176.600 -0.248 0.000 1.051 1620 K CA 0.797 56.877 56.287 -0.346 0.000 0.952 1620 K CB 0.034 32.308 32.500 -0.378 0.000 0.736 1620 K HN 0.146 nan 8.250 nan 0.000 0.453 1621 L N 0.527 121.617 121.223 -0.223 0.000 2.127 1621 L HA 0.085 4.426 4.340 0.001 0.000 0.203 1621 L C 2.100 178.865 176.870 -0.175 0.000 1.080 1621 L CA 1.328 56.060 54.840 -0.180 0.000 0.768 1621 L CB -0.383 41.584 42.059 -0.154 0.000 0.924 1621 L HN 0.015 nan 8.230 nan 0.000 0.444 1622 A N -1.668 121.037 122.820 -0.192 0.000 1.968 1622 A HA -0.089 4.232 4.320 0.001 0.000 0.217 1622 A C 2.109 179.589 177.584 -0.174 0.000 1.169 1622 A CA 1.991 53.919 52.037 -0.181 0.000 0.638 1622 A CB -0.793 18.077 19.000 -0.217 0.000 0.812 1622 A HN 0.479 nan 8.150 nan 0.000 0.446 1623 T N -1.658 112.776 114.554 -0.200 0.000 3.037 1623 T HA 0.152 4.503 4.350 0.001 0.000 0.252 1623 T C 0.637 175.215 174.700 -0.203 0.000 1.073 1623 T CA 0.527 62.508 62.100 -0.197 0.000 1.091 1623 T CB 0.031 68.769 68.868 -0.216 0.000 0.935 1623 T HN 0.594 nan 8.240 nan 0.000 0.488 1624 E N -0.216 119.867 120.200 -0.196 0.000 3.799 1624 E HA -0.168 4.182 4.350 0.001 0.000 0.320 1624 E C -0.353 176.153 176.600 -0.157 0.000 0.760 1624 E CA 0.196 56.488 56.400 -0.180 0.000 1.153 1624 E CB -1.448 28.157 29.700 -0.158 0.000 1.589 1624 E HN 0.472 nan 8.360 nan 0.000 0.448 1625 L N 2.355 123.448 121.223 -0.216 0.000 2.416 1625 L HA 0.185 4.526 4.340 0.001 0.000 0.272 1625 L C -1.596 175.200 176.870 -0.123 0.000 1.161 1625 L CA -1.405 53.291 54.840 -0.240 0.000 0.845 1625 L CB 0.047 41.904 42.059 -0.336 0.000 1.119 1625 L HN -0.102 nan 8.230 nan 0.000 0.464 1626 P HA -0.055 nan 4.420 nan 0.000 0.271 1626 P C 0.152 177.471 177.300 0.031 0.000 1.218 1626 P CA -0.274 62.840 63.100 0.023 0.000 0.780 1626 P CB 0.868 32.626 31.700 0.097 0.000 0.901 1627 D N 2.376 122.800 120.400 0.040 0.000 2.154 1627 D HA -0.269 4.372 4.640 0.001 0.000 0.190 1627 D C 1.722 178.138 176.300 0.193 0.000 1.003 1627 D CA 2.385 56.459 54.000 0.124 0.000 0.849 1627 D CB -0.222 40.667 40.800 0.147 0.000 0.942 1627 D HN 0.419 nan 8.370 nan 0.000 0.446 1628 A N 1.324 124.231 122.820 0.146 0.000 1.849 1628 A HA -0.228 4.093 4.320 0.001 0.000 0.217 1628 A C 2.115 179.801 177.584 0.171 0.000 1.202 1628 A CA 2.109 54.231 52.037 0.143 0.000 0.629 1628 A CB -0.684 18.381 19.000 0.108 0.000 0.834 1628 A HN 0.258 nan 8.150 nan 0.000 0.447 1629 E N -0.588 119.721 120.200 0.181 0.000 2.153 1629 E HA -0.149 4.202 4.350 0.001 0.000 0.194 1629 E C 1.903 178.651 176.600 0.246 0.000 0.988 1629 E CA 1.106 57.657 56.400 0.252 0.000 0.811 1629 E CB -0.510 29.417 29.700 0.378 0.000 0.746 1629 E HN 0.551 nan 8.360 nan 0.000 0.466 1630 L N 0.951 122.278 121.223 0.174 0.000 2.217 1630 L HA -0.061 4.279 4.340 0.001 0.000 0.211 1630 L C 2.140 179.173 176.870 0.272 0.000 1.107 1630 L CA 1.379 56.308 54.840 0.149 0.000 0.783 1630 L CB -0.057 42.019 42.059 0.028 0.000 0.919 1630 L HN -0.104 nan 8.230 nan 0.000 0.442 1631 R N -0.161 120.544 120.500 0.341 0.000 2.062 1631 R HA -0.121 4.220 4.340 0.001 0.000 0.229 1631 R C 2.237 178.767 176.300 0.383 0.000 1.128 1631 R CA 1.571 57.914 56.100 0.406 0.000 0.960 1631 R CB -0.330 30.168 30.300 0.330 0.000 0.855 1631 R HN 0.432 nan 8.270 nan 0.000 0.432 1632 R N 0.149 120.817 120.500 0.281 0.000 2.280 1632 R HA 0.045 4.386 4.340 0.001 0.000 0.207 1632 R C 1.427 177.916 176.300 0.314 0.000 1.043 1632 R CA 1.493 57.757 56.100 0.273 0.000 1.006 1632 R CB -0.343 30.062 30.300 0.174 0.000 0.885 1632 R HN -0.043 nan 8.270 nan 0.000 0.467 1633 T N 1.116 115.841 114.554 0.286 0.000 2.781 1633 T HA 0.104 4.454 4.350 0.001 0.000 0.252 1633 T C 1.728 176.558 174.700 0.218 0.000 1.039 1633 T CA 1.077 63.324 62.100 0.246 0.000 1.147 1633 T CB -0.192 68.819 68.868 0.237 0.000 0.865 1633 T HN 0.071 nan 8.240 nan 0.000 0.423 1634 L N 0.266 121.600 121.223 0.185 0.000 2.043 1634 L HA -0.161 4.180 4.340 0.001 0.000 0.212 1634 L C 2.541 179.584 176.870 0.289 0.000 1.075 1634 L CA 1.516 56.416 54.840 0.099 0.000 0.752 1634 L CB -0.453 41.532 42.059 -0.122 0.000 0.891 1634 L HN 0.497 nan 8.230 nan 0.000 0.432 1635 W N 0.974 122.441 121.300 0.278 0.000 2.358 1635 W HA -0.231 4.430 4.660 0.001 0.000 0.303 1635 W C 2.611 179.246 176.519 0.194 0.000 1.208 1635 W CA 1.875 59.360 57.345 0.233 0.000 1.274 1635 W CB -0.183 29.362 29.460 0.141 0.000 1.138 1635 W HN 0.362 nan 8.180 nan 0.000 0.515 1636 S N 0.110 115.981 115.700 0.285 0.000 2.595 1636 S HA -0.077 4.394 4.470 0.001 0.000 0.235 1636 S C 1.544 176.258 174.600 0.190 0.000 0.974 1636 S CA 0.863 59.218 58.200 0.260 0.000 0.942 1636 S CB -0.620 62.761 63.200 0.301 0.000 0.766 1636 S HN 0.356 nan 8.310 nan 0.000 0.536 1637 L N 0.347 121.625 121.223 0.092 0.000 2.609 1637 L HA 0.264 4.605 4.340 0.001 0.000 0.230 1637 L C 2.035 178.918 176.870 0.022 0.000 1.064 1637 L CA 0.346 55.206 54.840 0.032 0.000 0.873 1637 L CB 0.313 42.374 42.059 0.002 0.000 1.139 1637 L HN 0.389 nan 8.230 nan 0.000 0.490 1638 V N -3.997 115.932 119.914 0.024 0.000 3.661 1638 V HA 0.449 4.570 4.120 0.001 0.000 0.271 1638 V C 0.971 177.028 176.094 -0.061 0.000 1.315 1638 V CA 0.508 62.859 62.300 0.085 0.000 1.072 1638 V CB 0.503 32.520 31.823 0.323 0.000 0.830 1638 V HN 0.163 nan 8.190 nan 0.000 0.443 1639 A N 0.036 122.660 122.820 -0.327 0.000 3.176 1639 A HA 0.566 4.887 4.320 0.001 0.000 0.265 1639 A C -0.478 176.941 177.584 -0.275 0.000 0.936 1639 A CA -0.385 51.369 52.037 -0.472 0.000 1.033 1639 A CB -0.311 17.936 19.000 -1.254 0.000 1.158 1639 A HN 0.377 nan 8.150 nan 0.000 0.485 1640 F N 1.288 121.148 119.950 -0.150 0.000 2.484 1640 F HA 0.396 4.924 4.527 0.001 0.000 0.360 1640 F C -1.308 174.493 175.800 0.002 0.000 1.101 1640 F CA -1.012 56.962 58.000 -0.042 0.000 1.251 1640 F CB 0.566 39.569 39.000 0.005 0.000 1.132 1640 F HN 0.260 nan 8.300 nan 0.000 0.570 1641 P HA -0.338 nan 4.420 nan 0.000 0.240 1641 P C 1.108 178.352 177.300 -0.093 0.000 0.874 1641 P CA 2.378 65.261 63.100 -0.362 0.000 1.103 1641 P CB 0.130 31.471 31.700 -0.598 0.000 0.713 1642 K N -1.401 118.983 120.400 -0.028 0.000 2.020 1642 K HA -0.139 4.182 4.320 0.001 0.000 0.212 1642 K C 0.730 177.394 176.600 0.105 0.000 1.050 1642 K CA 0.484 56.807 56.287 0.061 0.000 0.929 1642 K CB -0.998 31.555 32.500 0.087 0.000 0.714 1642 K HN 0.030 nan 8.250 nan 0.000 0.443 1643 L N 2.122 123.463 121.223 0.198 0.000 3.604 1643 L HA -0.258 4.083 4.340 0.001 0.000 0.441 1643 L C 1.300 178.229 176.870 0.098 0.000 1.182 1643 L CA 1.036 55.983 54.840 0.178 0.000 0.725 1643 L CB 0.328 42.559 42.059 0.286 0.000 0.985 1643 L HN 0.121 nan 8.230 nan 0.000 0.791 1644 K N 4.001 124.428 120.400 0.046 0.000 1.995 1644 K HA 0.054 4.374 4.320 0.001 0.000 0.207 1644 K C 0.294 176.906 176.600 0.019 0.000 1.041 1644 K CA 1.317 57.611 56.287 0.011 0.000 0.942 1644 K CB 0.237 32.716 32.500 -0.034 0.000 0.731 1644 K HN 0.600 nan 8.250 nan 0.000 0.439 1645 R N 1.748 122.246 120.500 -0.003 0.000 2.393 1645 R HA 0.226 4.566 4.340 0.001 0.000 0.310 1645 R C -0.101 176.362 176.300 0.272 0.000 0.968 1645 R CA -0.530 55.603 56.100 0.056 0.000 0.867 1645 R CB 1.580 31.838 30.300 -0.070 0.000 1.124 1645 R HN 0.206 nan 8.270 nan 0.000 0.450 1646 Q N 1.255 121.214 119.800 0.265 0.000 2.260 1646 Q HA 0.143 4.484 4.340 0.001 0.000 0.238 1646 Q C 1.304 177.412 176.000 0.181 0.000 0.948 1646 Q CA -0.256 55.689 55.803 0.237 0.000 0.895 1646 Q CB 1.781 30.592 28.738 0.122 0.000 1.218 1646 Q HN 0.391 nan 8.270 nan 0.000 0.470 1647 V N 0.738 120.560 119.914 -0.152 0.000 2.358 1647 V HA -0.109 4.012 4.120 0.001 0.000 0.246 1647 V C 1.062 176.998 176.094 -0.264 0.000 1.047 1647 V CA 1.396 63.412 62.300 -0.474 0.000 1.035 1647 V CB -0.255 31.192 31.823 -0.627 0.000 0.658 1647 V HN 0.469 nan 8.190 nan 0.000 0.452 1648 L N 0.312 121.442 121.223 -0.156 0.000 2.346 1648 L HA 0.557 4.897 4.340 0.001 0.000 0.274 1648 L C -0.924 176.004 176.870 0.096 0.000 1.007 1648 L CA -0.320 54.463 54.840 -0.096 0.000 0.818 1648 L CB 1.898 43.904 42.059 -0.089 0.000 1.284 1648 L HN 0.083 nan 8.230 nan 0.000 0.424 1649 L N 3.096 124.385 121.223 0.110 0.000 2.322 1649 L HA 0.494 4.834 4.340 0.001 0.000 0.281 1649 L C -0.924 176.064 176.870 0.198 0.000 1.014 1649 L CA -0.830 54.095 54.840 0.141 0.000 0.815 1649 L CB 1.216 43.302 42.059 0.045 0.000 1.247 1649 L HN 0.423 nan 8.230 nan 0.000 0.421 1650 Y N -0.181 120.106 120.300 -0.022 0.000 2.487 1650 Y HA 0.590 5.141 4.550 0.001 0.000 0.337 1650 Y C 0.629 176.448 175.900 -0.135 0.000 1.076 1650 Y CA -1.254 56.702 58.100 -0.239 0.000 1.115 1650 Y CB 0.957 39.129 38.460 -0.479 0.000 1.235 1650 Y HN 0.508 nan 8.280 nan 0.000 0.468 1651 E N 2.376 122.508 120.200 -0.113 0.000 1.997 1651 E HA 0.063 4.414 4.350 0.001 0.000 0.196 1651 E C -1.802 174.738 176.600 -0.100 0.000 0.990 1651 E CA 0.479 56.820 56.400 -0.099 0.000 0.845 1651 E CB -1.109 28.568 29.700 -0.037 0.000 0.795 1651 E HN 0.714 nan 8.360 nan 0.000 0.479 1652 P HA -0.038 nan 4.420 nan 0.000 0.264 1652 P C -0.874 176.471 177.300 0.075 0.000 1.229 1652 P CA 0.242 63.369 63.100 0.045 0.000 0.780 1652 P CB 0.641 32.399 31.700 0.097 0.000 0.808 1653 Q N 1.987 121.741 119.800 -0.077 0.000 2.361 1653 Q HA 0.229 4.570 4.340 0.001 0.000 0.276 1653 Q C -0.068 176.030 176.000 0.164 0.000 1.022 1653 Q CA 0.236 55.966 55.803 -0.121 0.000 0.898 1653 Q CB 1.086 29.740 28.738 -0.141 0.000 1.246 1653 Q HN 0.307 nan 8.270 nan 0.000 0.410 1654 V N 2.037 122.170 119.914 0.364 0.000 3.188 1654 V HA 0.221 4.341 4.120 0.001 0.000 0.305 1654 V C 0.239 176.493 176.094 0.267 0.000 1.232 1654 V CA -0.732 61.720 62.300 0.254 0.000 1.043 1654 V CB 2.320 34.232 31.823 0.148 0.000 1.068 1654 V HN 0.845 nan 8.190 nan 0.000 0.439 1655 N N 0.201 118.968 118.700 0.112 0.000 2.299 1655 N HA 0.172 4.913 4.740 0.001 0.000 0.187 1655 N C 0.129 175.569 175.510 -0.117 0.000 1.099 1655 N CA 0.247 53.355 53.050 0.096 0.000 0.867 1655 N CB 0.825 39.326 38.487 0.023 0.000 0.974 1655 N HN 0.514 nan 8.380 nan 0.000 0.477 1656 S N -0.458 115.046 115.700 -0.326 0.000 2.570 1656 S HA 0.322 4.793 4.470 0.001 0.000 0.270 1656 S C -2.468 171.614 174.600 -0.864 0.000 1.149 1656 S CA -1.345 56.403 58.200 -0.752 0.000 0.837 1656 S CB 1.534 64.463 63.200 -0.452 0.000 1.124 1656 S HN -0.263 nan 8.310 nan 0.000 0.465 1657 P HA 0.124 nan 4.420 nan 0.000 0.230 1657 P C 0.446 177.558 177.300 -0.312 0.000 1.158 1657 P CA 0.749 63.456 63.100 -0.654 0.000 0.769 1657 P CB 0.101 31.595 31.700 -0.343 0.000 0.807 1658 K N -0.825 119.397 120.400 -0.297 0.000 2.314 1658 K HA 0.006 4.326 4.320 0.001 0.000 0.198 1658 K C 0.578 177.114 176.600 -0.105 0.000 1.045 1658 K CA 0.805 57.009 56.287 -0.139 0.000 0.988 1658 K CB -0.091 32.333 32.500 -0.127 0.000 0.783 1658 K HN 0.101 nan 8.250 nan 0.000 0.484 1659 D N 0.148 120.449 120.400 -0.165 0.000 2.340 1659 D HA 0.042 4.683 4.640 0.001 0.000 0.220 1659 D C 0.089 176.388 176.300 -0.001 0.000 1.039 1659 D CA 0.161 54.114 54.000 -0.078 0.000 0.866 1659 D CB -0.070 40.682 40.800 -0.080 0.000 0.913 1659 D HN 0.032 nan 8.370 nan 0.000 0.523 1660 F N 1.256 121.126 119.950 -0.132 0.000 2.545 1660 F HA 0.131 4.658 4.527 0.001 0.000 0.348 1660 F C 1.417 177.051 175.800 -0.276 0.000 1.163 1660 F CA 0.053 57.913 58.000 -0.233 0.000 1.331 1660 F CB 0.711 39.454 39.000 -0.429 0.000 1.138 1660 F HN -0.138 nan 8.300 nan 0.000 0.602 1661 T N -1.410 113.129 114.554 -0.024 0.000 2.843 1661 T HA 0.189 4.540 4.350 0.001 0.000 0.302 1661 T C 0.465 175.280 174.700 0.191 0.000 1.232 1661 T CA -0.993 61.129 62.100 0.036 0.000 1.009 1661 T CB 1.725 70.644 68.868 0.086 0.000 1.254 1661 T HN 0.458 nan 8.240 nan 0.000 0.504 1662 E N 0.959 121.344 120.200 0.309 0.000 2.169 1662 E HA -0.164 4.187 4.350 0.001 0.000 0.202 1662 E C 2.088 178.834 176.600 0.245 0.000 1.016 1662 E CA 2.115 58.719 56.400 0.340 0.000 0.817 1662 E CB -0.941 28.874 29.700 0.191 0.000 0.736 1662 E HN 0.909 nan 8.360 nan 0.000 0.462 1663 G N 0.729 109.629 108.800 0.166 0.000 2.464 1663 G HA2 -0.119 3.842 3.960 0.001 0.000 0.217 1663 G HA3 -0.119 3.842 3.960 0.001 0.000 0.217 1663 G C 0.645 175.613 174.900 0.114 0.000 1.138 1663 G CA 0.429 45.602 45.100 0.121 0.000 0.793 1663 G HN 0.156 nan 8.290 nan 0.000 0.539 1664 T N 1.141 115.761 114.554 0.109 0.000 2.830 1664 T HA 0.101 4.452 4.350 0.001 0.000 0.282 1664 T C -0.017 174.665 174.700 -0.030 0.000 1.024 1664 T CA 0.620 62.726 62.100 0.009 0.000 1.144 1664 T CB 0.538 69.355 68.868 -0.085 0.000 1.035 1664 T HN 0.014 nan 8.240 nan 0.000 0.507 1665 L N 4.324 125.470 121.223 -0.129 0.000 2.318 1665 L HA 0.480 4.821 4.340 0.001 0.000 0.277 1665 L C -0.466 176.351 176.870 -0.088 0.000 1.008 1665 L CA -0.725 54.100 54.840 -0.026 0.000 0.846 1665 L CB 0.547 42.630 42.059 0.039 0.000 1.220 1665 L HN 0.528 nan 8.230 nan 0.000 0.423 1666 F N 1.253 121.346 119.950 0.239 0.000 2.377 1666 F HA 0.658 5.186 4.527 0.001 0.000 0.328 1666 F C 0.727 176.782 175.800 0.424 0.000 1.094 1666 F CA -0.391 57.804 58.000 0.324 0.000 1.093 1666 F CB 1.919 41.155 39.000 0.393 0.000 1.214 1666 F HN 0.434 nan 8.300 nan 0.000 0.518 1667 S N -0.170 115.770 115.700 0.400 0.000 2.547 1667 S HA 0.618 5.089 4.470 0.001 0.000 0.270 1667 S C -1.414 173.046 174.600 -0.233 0.000 1.150 1667 S CA -1.094 57.208 58.200 0.169 0.000 0.850 1667 S CB 0.980 64.280 63.200 0.167 0.000 1.118 1667 S HN 0.373 nan 8.310 nan 0.000 0.461 1668 V N 2.842 122.440 119.914 -0.527 0.000 2.572 1668 V HA 0.210 4.331 4.120 0.001 0.000 0.291 1668 V C 0.819 176.827 176.094 -0.143 0.000 1.039 1668 V CA -0.279 61.728 62.300 -0.489 0.000 1.055 1668 V CB 0.196 31.725 31.823 -0.490 0.000 0.969 1668 V HN 0.950 nan 8.190 nan 0.000 0.482 1669 N N 4.739 123.403 118.700 -0.061 0.000 2.605 1669 N HA 0.004 4.745 4.740 0.001 0.000 0.282 1669 N C 1.071 176.670 175.510 0.149 0.000 1.206 1669 N CA 0.087 53.176 53.050 0.065 0.000 1.074 1669 N CB 0.326 38.881 38.487 0.113 0.000 1.434 1669 N HN 0.533 nan 8.380 nan 0.000 0.506 1670 Q N 1.261 121.124 119.800 0.106 0.000 2.631 1670 Q HA -0.105 4.236 4.340 0.001 0.000 0.220 1670 Q C -0.394 175.672 176.000 0.110 0.000 0.978 1670 Q CA 0.943 56.818 55.803 0.119 0.000 0.961 1670 Q CB -0.018 28.768 28.738 0.079 0.000 0.988 1670 Q HN 0.714 nan 8.270 nan 0.000 0.567 1671 E N -0.452 119.824 120.200 0.127 0.000 4.017 1671 E HA 0.144 4.495 4.350 0.001 0.000 0.205 1671 E C -1.065 175.601 176.600 0.110 0.000 1.054 1671 E CA -0.284 56.171 56.400 0.091 0.000 1.398 1671 E CB 0.408 30.139 29.700 0.052 0.000 1.164 1671 E HN 0.055 nan 8.360 nan 0.000 0.445 1672 F N 1.909 121.852 119.950 -0.011 0.000 2.378 1672 F HA 0.602 5.129 4.527 0.001 0.000 0.325 1672 F C 0.032 175.709 175.800 -0.206 0.000 1.097 1672 F CA -0.118 57.835 58.000 -0.078 0.000 1.079 1672 F CB 0.986 39.986 39.000 -0.001 0.000 1.240 1672 F HN 0.039 nan 8.300 nan 0.000 0.519 1673 S N 4.115 118.951 115.700 -1.441 0.000 2.622 1673 S HA 0.479 4.950 4.470 0.001 0.000 0.275 1673 S C -1.630 172.267 174.600 -1.172 0.000 1.112 1673 S CA -1.265 56.240 58.200 -1.159 0.000 0.837 1673 S CB 0.528 63.522 63.200 -0.344 0.000 1.082 1673 S HN 0.758 nan 8.310 nan 0.000 0.456 1674 L N 1.300 122.095 121.223 -0.714 0.000 2.421 1674 L HA 0.582 4.923 4.340 0.001 0.000 0.263 1674 L C -0.335 176.415 176.870 -0.199 0.000 1.122 1674 L CA -0.920 53.695 54.840 -0.375 0.000 0.804 1674 L CB 0.635 42.622 42.059 -0.119 0.000 1.150 1674 L HN 0.678 nan 8.230 nan 0.000 0.457 1675 I N 2.088 122.580 120.570 -0.129 0.000 2.668 1675 I HA 0.222 4.392 4.170 0.001 0.000 0.276 1675 I C -0.274 175.824 176.117 -0.031 0.000 1.139 1675 I CA -0.369 60.885 61.300 -0.076 0.000 1.133 1675 I CB 0.749 38.702 38.000 -0.078 0.000 1.327 1675 I HN 0.506 nan 8.210 nan 0.000 0.520 1676 K N 5.063 125.454 120.400 -0.015 0.000 2.258 1676 K HA 0.281 4.602 4.320 0.001 0.000 0.284 1676 K C 0.220 176.820 176.600 -0.001 0.000 1.051 1676 K CA -0.311 55.976 56.287 0.001 0.000 0.923 1676 K CB 0.612 33.119 32.500 0.011 0.000 1.046 1676 K HN 0.461 nan 8.250 nan 0.000 0.474 1677 N N 1.537 120.238 118.700 0.003 0.000 2.776 1677 N HA -0.234 4.506 4.740 0.001 0.000 0.249 1677 N C -0.434 175.075 175.510 -0.002 0.000 1.111 1677 N CA 0.873 53.925 53.050 0.002 0.000 0.711 1677 N CB -1.217 37.271 38.487 0.003 0.000 1.065 1677 N HN 0.918 nan 8.380 nan 0.000 0.556 1678 A N -1.061 121.756 122.820 -0.005 0.000 2.687 1678 A HA -0.282 4.039 4.320 0.001 0.000 0.299 1678 A C 0.133 177.709 177.584 -0.015 0.000 1.497 1678 A CA 1.882 53.913 52.037 -0.010 0.000 0.751 1678 A CB -1.059 17.938 19.000 -0.005 0.000 1.048 1678 A HN 0.479 nan 8.150 nan 0.000 0.464 1679 K N -0.907 119.481 120.400 -0.019 0.000 2.508 1679 K HA 0.585 4.905 4.320 0.001 0.000 0.260 1679 K C -0.170 176.411 176.600 -0.030 0.000 0.949 1679 K CA -0.916 55.359 56.287 -0.020 0.000 0.834 1679 K CB 2.310 34.803 32.500 -0.012 0.000 1.365 1679 K HN 0.167 nan 8.250 nan 0.000 0.437 1680 V N 1.892 121.788 119.914 -0.030 0.000 2.843 1680 V HA 0.015 4.136 4.120 0.001 0.000 0.305 1680 V C 0.040 176.127 176.094 -0.012 0.000 1.065 1680 V CA 0.264 62.543 62.300 -0.036 0.000 1.116 1680 V CB 0.994 32.800 31.823 -0.029 0.000 0.968 1680 V HN 0.657 nan 8.190 nan 0.000 0.487 1681 Q N 2.327 122.133 119.800 0.009 0.000 2.394 1681 Q HA 0.408 4.748 4.340 0.001 0.000 0.273 1681 Q C 0.347 176.410 176.000 0.106 0.000 1.089 1681 Q CA -0.492 55.345 55.803 0.057 0.000 0.812 1681 Q CB 2.152 30.941 28.738 0.085 0.000 1.353 1681 Q HN 0.573 nan 8.270 nan 0.000 0.438 1682 K N 1.274 121.685 120.400 0.019 0.000 2.005 1682 K HA 0.118 4.439 4.320 0.001 0.000 0.206 1682 K C 0.415 176.831 176.600 -0.306 0.000 1.044 1682 K CA 0.898 57.137 56.287 -0.080 0.000 0.942 1682 K CB 0.258 32.707 32.500 -0.086 0.000 0.727 1682 K HN 0.471 nan 8.250 nan 0.000 0.439 1683 R N -0.642 119.712 120.500 -0.243 0.000 3.173 1683 R HA 0.624 4.964 4.340 0.001 0.000 0.225 1683 R C 0.502 176.774 176.300 -0.046 0.000 1.587 1683 R CA -0.478 55.384 56.100 -0.396 0.000 1.033 1683 R CB 0.273 30.446 30.300 -0.212 0.000 1.804 1683 R HN 0.344 nan 8.270 nan 0.000 0.526 1684 G N -0.577 108.261 108.800 0.064 0.000 2.404 1684 G HA2 0.285 4.246 3.960 0.001 0.000 0.253 1684 G HA3 0.285 4.246 3.960 0.001 0.000 0.253 1684 G C -1.684 173.333 174.900 0.195 0.000 1.253 1684 G CA -0.434 44.795 45.100 0.214 0.000 0.917 1684 G HN 0.503 nan 8.290 nan 0.000 0.480 1685 K N 0.227 120.744 120.400 0.195 0.000 2.372 1685 K HA 0.357 4.678 4.320 0.001 0.000 0.354 1685 K C -1.165 175.502 176.600 0.111 0.000 1.394 1685 K CA -0.559 55.816 56.287 0.147 0.000 1.138 1685 K CB 0.200 32.758 32.500 0.096 0.000 1.399 1685 K HN 1.050 nan 8.250 nan 0.000 0.480 1686 I N 0.212 120.846 120.570 0.108 0.000 2.693 1686 I HA 0.594 4.765 4.170 0.001 0.000 0.303 1686 I C -0.752 175.355 176.117 -0.017 0.000 1.025 1686 I CA -0.897 60.431 61.300 0.047 0.000 1.086 1686 I CB 1.946 39.977 38.000 0.052 0.000 1.268 1686 I HN 0.412 nan 8.210 nan 0.000 0.440 1687 N N 4.389 123.052 118.700 -0.062 0.000 2.443 1687 N HA 0.476 5.216 4.740 0.001 0.000 0.295 1687 N C -0.440 174.878 175.510 -0.319 0.000 1.076 1687 N CA -0.513 52.478 53.050 -0.098 0.000 0.919 1687 N CB 2.054 40.532 38.487 -0.015 0.000 1.176 1687 N HN 0.888 nan 8.380 nan 0.000 0.487 1688 L N 2.526 123.563 121.223 -0.309 0.000 3.039 1688 L HA 0.373 4.714 4.340 0.001 0.000 0.269 1688 L C 0.698 177.510 176.870 -0.095 0.000 1.169 1688 L CA -0.170 54.351 54.840 -0.531 0.000 0.986 1688 L CB 0.303 42.124 42.059 -0.397 0.000 1.377 1688 L HN 0.442 nan 8.230 nan 0.000 0.575 1689 I N 0.561 121.127 120.570 -0.006 0.000 3.060 1689 I HA 0.352 4.523 4.170 0.001 0.000 0.285 1689 I C 0.652 176.868 176.117 0.166 0.000 1.190 1689 I CA 0.288 61.630 61.300 0.071 0.000 1.363 1689 I CB 0.502 38.524 38.000 0.037 0.000 1.396 1689 I HN 0.099 nan 8.210 nan 0.000 0.607 1690 G N 2.608 111.487 108.800 0.132 0.000 2.405 1690 G HA2 0.357 4.318 3.960 0.001 0.000 0.303 1690 G HA3 0.357 4.318 3.960 0.001 0.000 0.303 1690 G C -1.178 173.773 174.900 0.086 0.000 1.644 1690 G CA -1.030 44.155 45.100 0.141 0.000 0.899 1690 G HN 0.936 nan 8.290 nan 0.000 0.667 1691 R N 0.605 121.143 120.500 0.064 0.000 2.381 1691 R HA -0.167 4.173 4.340 0.001 0.000 0.314 1691 R C -0.817 175.474 176.300 -0.015 0.000 1.073 1691 R CA 0.587 56.700 56.100 0.022 0.000 0.953 1691 R CB -1.870 28.449 30.300 0.032 0.000 2.657 1691 R HN 0.537 nan 8.270 nan 0.000 0.507 1692 L N 2.116 123.317 121.223 -0.037 0.000 2.796 1692 L HA 0.213 4.554 4.340 0.001 0.000 0.235 1692 L C 0.622 177.456 176.870 -0.061 0.000 1.344 1692 L CA 0.178 54.977 54.840 -0.070 0.000 1.245 1692 L CB -0.141 41.867 42.059 -0.085 0.000 1.556 1692 L HN 0.634 nan 8.230 nan 0.000 0.423 1693 Q N 1.061 120.829 119.800 -0.054 0.000 2.377 1693 Q HA 0.470 4.811 4.340 0.001 0.000 0.279 1693 Q C -1.464 174.517 176.000 -0.033 0.000 1.049 1693 Q CA -0.858 54.925 55.803 -0.035 0.000 0.825 1693 Q CB 2.568 31.271 28.738 -0.058 0.000 1.401 1693 Q HN 0.257 nan 8.270 nan 0.000 0.404 1694 L N 1.800 123.015 121.223 -0.013 0.000 2.417 1694 L HA 0.239 4.580 4.340 0.001 0.000 0.268 1694 L C 1.484 178.362 176.870 0.013 0.000 1.158 1694 L CA 0.062 54.908 54.840 0.011 0.000 0.819 1694 L CB 0.673 42.754 42.059 0.036 0.000 1.112 1694 L HN 0.806 nan 8.230 nan 0.000 0.458 1695 T N -0.509 114.066 114.554 0.035 0.000 2.803 1695 T HA -0.190 4.160 4.350 0.001 0.000 0.269 1695 T C 1.755 176.465 174.700 0.018 0.000 1.052 1695 T CA 1.909 64.025 62.100 0.026 0.000 1.136 1695 T CB -0.206 68.689 68.868 0.045 0.000 0.864 1695 T HN 0.814 nan 8.240 nan 0.000 0.467 1696 T N 1.690 116.261 114.554 0.028 0.000 2.622 1696 T HA -0.136 4.215 4.350 0.001 0.000 0.266 1696 T C 2.005 176.705 174.700 0.000 0.000 1.047 1696 T CA 1.464 63.575 62.100 0.019 0.000 1.159 1696 T CB -0.319 68.564 68.868 0.024 0.000 0.863 1696 T HN 0.326 nan 8.240 nan 0.000 0.422 1697 E N 0.548 120.744 120.200 -0.007 0.000 2.077 1697 E HA 0.026 4.377 4.350 0.001 0.000 0.193 1697 E C 1.375 177.955 176.600 -0.034 0.000 0.989 1697 E CA 0.616 57.002 56.400 -0.023 0.000 0.800 1697 E CB -0.122 29.561 29.700 -0.028 0.000 0.746 1697 E HN 0.148 nan 8.360 nan 0.000 0.452 1701 E N 2.325 122.504 120.200 -0.034 0.000 2.274 1701 E HA -0.044 4.307 4.350 0.001 0.000 0.194 1701 E C 1.502 178.089 176.600 -0.021 0.000 0.996 1701 E CA 0.975 57.355 56.400 -0.033 0.000 0.840 1701 E CB 0.095 29.768 29.700 -0.045 0.000 0.772 1701 E HN 0.348 nan 8.360 nan 0.000 0.491 1702 E N 0.957 121.147 120.200 -0.017 0.000 2.204 1702 E HA -0.266 4.085 4.350 0.001 0.000 0.195 1702 E C 1.687 178.282 176.600 -0.008 0.000 0.990 1702 E CA 1.036 57.436 56.400 0.001 0.000 0.821 1702 E CB 0.123 29.823 29.700 0.000 0.000 0.750 1702 E HN 0.372 nan 8.360 nan 0.000 0.477 1703 E N -0.370 119.819 120.200 -0.018 0.000 2.442 1703 E HA -0.034 4.317 4.350 0.001 0.000 0.195 1703 E C 1.587 178.167 176.600 -0.033 0.000 1.030 1703 E CA 0.258 56.644 56.400 -0.024 0.000 0.869 1703 E CB 0.154 29.840 29.700 -0.024 0.000 0.857 1703 E HN 0.240 nan 8.360 nan 0.000 0.505 1704 N N 0.212 118.892 118.700 -0.034 0.000 2.349 1704 N HA -0.068 4.673 4.740 0.001 0.000 0.180 1704 N C 1.272 176.753 175.510 -0.049 0.000 1.024 1704 N CA 0.521 53.543 53.050 -0.046 0.000 0.869 1704 N CB 0.162 38.622 38.487 -0.044 0.000 1.022 1704 N HN 0.166 nan 8.380 nan 0.000 0.433 1705 E N 0.496 120.679 120.200 -0.029 0.000 2.208 1705 E HA -0.212 4.139 4.350 0.001 0.000 0.202 1705 E C 1.860 178.435 176.600 -0.043 0.000 1.014 1705 E CA 1.206 57.593 56.400 -0.022 0.000 0.819 1705 E CB -0.239 29.470 29.700 0.015 0.000 0.735 1705 E HN 0.400 nan 8.360 nan 0.000 0.469 1706 G N 2.061 110.836 108.800 -0.042 0.000 2.414 1706 G HA2 -0.223 3.738 3.960 0.001 0.000 0.215 1706 G HA3 -0.223 3.738 3.960 0.001 0.000 0.215 1706 G C 1.727 176.581 174.900 -0.077 0.000 1.188 1706 G CA 0.917 45.986 45.100 -0.052 0.000 0.783 1706 G HN 0.376 nan 8.290 nan 0.000 0.537 1707 I N -0.949 119.568 120.570 -0.087 0.000 2.614 1707 I HA 0.002 4.173 4.170 0.001 0.000 0.258 1707 I C 2.160 178.172 176.117 -0.175 0.000 1.189 1707 I CA 0.601 61.824 61.300 -0.128 0.000 1.462 1707 I CB -0.254 37.671 38.000 -0.125 0.000 1.092 1707 I HN 0.014 nan 8.210 nan 0.000 0.442 1708 V N 0.928 120.758 119.914 -0.139 0.000 2.599 1708 V HA -0.127 3.994 4.120 0.001 0.000 0.245 1708 V C 2.554 178.562 176.094 -0.142 0.000 1.046 1708 V CA 1.422 63.631 62.300 -0.152 0.000 1.065 1708 V CB -0.604 31.155 31.823 -0.107 0.000 0.703 1708 V HN 0.405 nan 8.190 nan 0.000 0.464 1709 Q N -0.430 119.302 119.800 -0.112 0.000 2.135 1709 Q HA -0.234 4.106 4.340 0.001 0.000 0.204 1709 Q C 2.219 178.151 176.000 -0.114 0.000 0.981 1709 Q CA 1.709 57.446 55.803 -0.110 0.000 0.856 1709 Q CB -0.280 28.407 28.738 -0.085 0.000 0.902 1709 Q HN 0.472 nan 8.270 nan 0.000 0.425 1710 L N 0.769 121.924 121.223 -0.113 0.000 2.027 1710 L HA -0.167 4.174 4.340 0.001 0.000 0.206 1710 L C 2.081 178.896 176.870 -0.092 0.000 1.074 1710 L CA 1.760 56.544 54.840 -0.092 0.000 0.745 1710 L CB -0.278 41.728 42.059 -0.089 0.000 0.898 1710 L HN 0.033 nan 8.230 nan 0.000 0.433 1711 R N -0.660 119.707 120.500 -0.221 0.000 2.105 1711 R HA -0.145 4.196 4.340 0.001 0.000 0.239 1711 R C 2.276 178.575 176.300 -0.001 0.000 1.135 1711 R CA 1.837 57.777 56.100 -0.266 0.000 0.967 1711 R CB -0.499 29.411 30.300 -0.651 0.000 0.861 1711 R HN 0.417 nan 8.270 nan 0.000 0.442 1712 I N 0.769 121.285 120.570 -0.089 0.000 2.179 1712 I HA -0.292 3.878 4.170 0.001 0.000 0.242 1712 I C 2.281 178.324 176.117 -0.123 0.000 1.088 1712 I CA 1.233 62.466 61.300 -0.111 0.000 1.357 1712 I CB -0.246 37.642 38.000 -0.187 0.000 1.051 1712 I HN 0.163 nan 8.210 nan 0.000 0.409 1713 L N 0.019 121.170 121.223 -0.119 0.000 2.046 1713 L HA -0.199 4.142 4.340 0.001 0.000 0.208 1713 L C 2.817 179.659 176.870 -0.046 0.000 1.077 1713 L CA 1.292 56.064 54.840 -0.113 0.000 0.747 1713 L CB -0.780 41.224 42.059 -0.090 0.000 0.896 1713 L HN 0.272 nan 8.230 nan 0.000 0.432 1714 R N -0.255 120.266 120.500 0.035 0.000 2.075 1714 R HA -0.082 4.258 4.340 0.001 0.000 0.232 1714 R C 2.246 178.574 176.300 0.046 0.000 1.126 1714 R CA 1.567 57.718 56.100 0.084 0.000 0.963 1714 R CB -1.147 29.308 30.300 0.258 0.000 0.858 1714 R HN 0.347 nan 8.270 nan 0.000 0.435 1715 T N 2.393 117.000 114.554 0.089 0.000 2.684 1715 T HA -0.192 4.158 4.350 0.001 0.000 0.267 1715 T C 1.870 176.555 174.700 -0.027 0.000 1.036 1715 T CA 1.874 63.993 62.100 0.032 0.000 1.148 1715 T CB -0.135 68.770 68.868 0.062 0.000 0.863 1715 T HN 0.511 nan 8.240 nan 0.000 0.436 1716 Q N 0.949 120.718 119.800 -0.052 0.000 2.172 1716 Q HA -0.046 4.295 4.340 0.001 0.000 0.200 1716 Q C 2.202 178.163 176.000 -0.064 0.000 0.964 1716 Q CA 1.260 57.024 55.803 -0.064 0.000 0.855 1716 Q CB -0.310 28.371 28.738 -0.096 0.000 0.918 1716 Q HN 0.612 nan 8.270 nan 0.000 0.444 1717 E N 1.368 121.533 120.200 -0.058 0.000 2.038 1717 E HA -0.230 4.120 4.350 0.001 0.000 0.195 1717 E C 2.042 178.616 176.600 -0.044 0.000 1.000 1717 E CA 1.321 57.694 56.400 -0.045 0.000 0.803 1717 E CB -0.216 29.464 29.700 -0.032 0.000 0.750 1717 E HN 0.442 nan 8.360 nan 0.000 0.448 1718 A N 1.447 124.237 122.820 -0.050 0.000 1.865 1718 A HA -0.204 4.116 4.320 0.001 0.000 0.217 1718 A C 2.265 179.817 177.584 -0.053 0.000 1.191 1718 A CA 1.636 53.637 52.037 -0.061 0.000 0.623 1718 A CB -0.832 18.116 19.000 -0.088 0.000 0.826 1718 A HN 0.397 nan 8.150 nan 0.000 0.444 1719 I N -0.364 120.177 120.570 -0.049 0.000 2.091 1719 I HA -0.309 3.861 4.170 0.001 0.000 0.239 1719 I C 2.351 178.451 176.117 -0.027 0.000 1.061 1719 I CA 1.822 63.098 61.300 -0.041 0.000 1.317 1719 I CB -0.312 37.659 38.000 -0.049 0.000 1.031 1719 I HN 0.330 nan 8.210 nan 0.000 0.401 1720 I N 0.093 120.650 120.570 -0.022 0.000 2.614 1720 I HA -0.291 3.880 4.170 0.001 0.000 0.258 1720 I C 2.578 178.658 176.117 -0.062 0.000 1.189 1720 I CA 1.012 62.313 61.300 0.002 0.000 1.462 1720 I CB -0.282 37.741 38.000 0.039 0.000 1.092 1720 I HN 0.413 nan 8.210 nan 0.000 0.442 1721 Q N 1.404 121.168 119.800 -0.059 0.000 2.046 1721 Q HA -0.127 4.213 4.340 0.001 0.000 0.200 1721 Q C 1.362 177.306 176.000 -0.094 0.000 0.975 1721 Q CA 1.078 56.835 55.803 -0.076 0.000 0.836 1721 Q CB 0.071 28.776 28.738 -0.056 0.000 0.896 1721 Q HN 0.357 nan 8.270 nan 0.000 0.428 1727 K N 1.296 121.722 120.400 0.043 0.000 2.365 1727 K HA 0.194 4.514 4.320 0.001 0.000 0.197 1727 K C -0.062 176.616 176.600 0.130 0.000 1.042 1727 K CA 0.776 57.122 56.287 0.098 0.000 0.987 1727 K CB 0.308 32.872 32.500 0.106 0.000 0.779 1727 K HN 0.473 nan 8.250 nan 0.000 0.484 1728 K N 0.646 121.102 120.400 0.092 0.000 2.498 1728 K HA 0.509 4.829 4.320 0.001 0.000 0.254 1728 K C -0.641 176.006 176.600 0.078 0.000 0.933 1728 K CA -0.557 55.787 56.287 0.095 0.000 0.806 1728 K CB 2.431 34.968 32.500 0.062 0.000 1.301 1728 K HN -0.062 nan 8.250 nan 0.000 0.432 1729 I N -1.821 118.806 120.570 0.095 0.000 3.004 1729 I HA 0.449 4.620 4.170 0.001 0.000 0.305 1729 I C -0.501 175.644 176.117 0.046 0.000 1.312 1729 I CA -1.016 60.332 61.300 0.079 0.000 0.992 1729 I CB 2.162 40.230 38.000 0.114 0.000 1.282 1729 I HN 0.508 nan 8.210 nan 0.000 0.449 1730 S N 1.522 117.233 115.700 0.018 0.000 2.541 1730 S HA 0.277 4.748 4.470 0.001 0.000 0.283 1730 S C 0.590 175.207 174.600 0.028 0.000 1.196 1730 S CA -0.611 57.565 58.200 -0.041 0.000 1.062 1730 S CB 1.657 64.838 63.200 -0.031 0.000 1.009 1730 S HN 0.824 nan 8.310 nan 0.000 0.502 1731 N N 2.649 121.347 118.700 -0.003 0.000 2.011 1731 N HA -0.256 4.484 4.740 0.001 0.000 0.199 1731 N C 1.987 177.565 175.510 0.113 0.000 1.047 1731 N CA 2.341 55.497 53.050 0.175 0.000 0.863 1731 N CB -1.269 37.309 38.487 0.152 0.000 1.056 1731 N HN 0.869 nan 8.380 nan 0.000 0.427 1732 A N 0.763 123.617 122.820 0.056 0.000 1.909 1732 A HA -0.307 4.013 4.320 0.001 0.000 0.221 1732 A C 2.247 179.856 177.584 0.043 0.000 1.223 1732 A CA 2.517 54.578 52.037 0.041 0.000 0.658 1732 A CB -1.263 17.749 19.000 0.020 0.000 0.831 1732 A HN 0.717 nan 8.150 nan 0.000 0.462 1733 Q N -1.296 118.529 119.800 0.041 0.000 2.124 1733 Q HA -0.154 4.186 4.340 0.001 0.000 0.202 1733 Q C 1.998 178.027 176.000 0.049 0.000 0.977 1733 Q CA 1.576 57.401 55.803 0.037 0.000 0.850 1733 Q CB -0.200 28.557 28.738 0.031 0.000 0.901 1733 Q HN 0.583 nan 8.270 nan 0.000 0.429 1734 L N 0.827 122.099 121.223 0.083 0.000 2.056 1734 L HA -0.183 4.157 4.340 0.001 0.000 0.207 1734 L C 2.195 179.098 176.870 0.055 0.000 1.078 1734 L CA 1.704 56.596 54.840 0.087 0.000 0.749 1734 L CB -0.608 41.546 42.059 0.159 0.000 0.901 1734 L HN 0.206 nan 8.230 nan 0.000 0.433 1735 Q N -0.301 119.536 119.800 0.062 0.000 2.077 1735 Q HA -0.227 4.114 4.340 0.001 0.000 0.206 1735 Q C 2.242 178.252 176.000 0.016 0.000 0.989 1735 Q CA 2.588 58.414 55.803 0.039 0.000 0.853 1735 Q CB -1.082 27.683 28.738 0.045 0.000 0.907 1735 Q HN 0.778 nan 8.270 nan 0.000 0.418 1736 T N -2.158 112.405 114.554 0.015 0.000 2.904 1736 T HA -0.087 4.264 4.350 0.001 0.000 0.267 1736 T C 1.716 176.411 174.700 -0.008 0.000 1.059 1736 T CA 1.260 63.361 62.100 0.002 0.000 1.137 1736 T CB -0.026 68.845 68.868 0.004 0.000 0.879 1736 T HN 0.332 nan 8.240 nan 0.000 0.467 1737 E N -0.000 120.198 120.200 -0.003 0.000 2.150 1737 E HA -0.048 4.302 4.350 0.001 0.000 0.193 1737 E C 2.008 178.589 176.600 -0.031 0.000 0.985 1737 E CA 0.444 56.836 56.400 -0.014 0.000 0.814 1737 E CB -0.135 29.561 29.700 -0.005 0.000 0.752 1737 E HN 0.334 nan 8.360 nan 0.000 0.466 1738 L N 0.375 121.580 121.223 -0.030 0.000 2.083 1738 L HA -0.139 4.201 4.340 0.001 0.000 0.209 1738 L C 2.238 179.056 176.870 -0.087 0.000 1.083 1738 L CA 1.209 56.015 54.840 -0.056 0.000 0.752 1738 L CB -0.532 41.502 42.059 -0.042 0.000 0.899 1738 L HN 0.051 nan 8.230 nan 0.000 0.433 1739 V N -0.739 119.134 119.914 -0.067 0.000 2.490 1739 V HA -0.213 3.907 4.120 0.001 0.000 0.250 1739 V C 2.626 178.669 176.094 -0.086 0.000 1.061 1739 V CA 1.422 63.673 62.300 -0.082 0.000 1.064 1739 V CB -0.445 31.350 31.823 -0.048 0.000 0.670 1739 V HN 0.445 nan 8.190 nan 0.000 0.461 1740 E N 0.037 120.198 120.200 -0.065 0.000 2.072 1740 E HA -0.100 4.251 4.350 0.001 0.000 0.191 1740 E C 2.093 178.650 176.600 -0.072 0.000 0.985 1740 E CA 1.225 57.590 56.400 -0.058 0.000 0.801 1740 E CB -0.106 29.570 29.700 -0.040 0.000 0.750 1740 E HN 0.559 nan 8.360 nan 0.000 0.452 1741 I N 0.474 120.995 120.570 -0.081 0.000 2.928 1741 I HA -0.148 4.023 4.170 0.001 0.000 0.266 1741 I C 1.507 177.551 176.117 -0.123 0.000 1.234 1741 I CA 0.420 61.668 61.300 -0.087 0.000 1.483 1741 I CB 0.156 38.110 38.000 -0.076 0.000 1.097 1741 I HN -0.025 nan 8.210 nan 0.000 0.455 1742 L N 0.059 121.177 121.223 -0.176 0.000 2.818 1742 L HA 0.116 4.457 4.340 0.001 0.000 0.243 1742 L C 1.917 178.659 176.870 -0.214 0.000 1.185 1742 L CA -0.010 54.666 54.840 -0.273 0.000 0.988 1742 L CB -0.155 41.610 42.059 -0.491 0.000 1.292 1742 L HN 0.072 nan 8.230 nan 0.000 0.519 1743 K N 0.517 120.839 120.400 -0.129 0.000 2.052 1743 K HA -0.174 4.147 4.320 0.001 0.000 0.215 1743 K C 0.736 177.297 176.600 -0.065 0.000 1.053 1743 K CA 1.425 57.662 56.287 -0.083 0.000 0.934 1743 K CB 0.190 32.655 32.500 -0.057 0.000 0.717 1743 K HN 0.377 nan 8.250 nan 0.000 0.450 1747 L N 5.406 126.706 121.223 0.127 0.000 2.295 1747 L HA 0.549 4.890 4.340 0.001 0.000 0.288 1747 L C -2.048 174.908 176.870 0.143 0.000 1.079 1747 L CA -1.645 53.211 54.840 0.027 0.000 0.830 1747 L CB 0.103 42.195 42.059 0.054 0.000 1.200 1747 L HN 0.510 nan 8.230 nan 0.000 0.438 1748 P HA -0.032 nan 4.420 nan 0.000 0.269 1748 P C -1.381 175.992 177.300 0.123 0.000 1.217 1748 P CA -0.226 62.959 63.100 0.142 0.000 0.783 1748 P CB 0.648 32.334 31.700 -0.023 0.000 0.898 1749 Q N 0.846 120.724 119.800 0.131 0.000 2.333 1749 Q HA 0.172 4.512 4.340 0.001 0.000 0.267 1749 Q C 1.005 177.039 176.000 0.057 0.000 1.012 1749 Q CA -0.762 55.088 55.803 0.078 0.000 0.824 1749 Q CB 1.305 30.084 28.738 0.068 0.000 1.290 1749 Q HN 0.240 nan 8.270 nan 0.000 0.449 1750 K N 2.094 122.521 120.400 0.044 0.000 2.189 1750 K HA -0.212 4.109 4.320 0.001 0.000 0.207 1750 K C 0.837 177.460 176.600 0.039 0.000 1.046 1750 K CA 1.372 57.683 56.287 0.041 0.000 0.928 1750 K CB -0.077 32.446 32.500 0.038 0.000 0.720 1750 K HN 0.488 nan 8.250 nan 0.000 0.458 1754 K N 2.148 122.567 120.400 0.032 0.000 2.044 1754 K HA -0.218 4.103 4.320 0.001 0.000 0.210 1754 K C 1.644 178.270 176.600 0.044 0.000 1.049 1754 K CA 2.367 58.679 56.287 0.042 0.000 0.927 1754 K CB 0.004 32.533 32.500 0.048 0.000 0.713 1754 K HN 0.292 nan 8.250 nan 0.000 0.443 1755 E N -0.429 119.796 120.200 0.042 0.000 2.110 1755 E HA -0.172 4.178 4.350 0.001 0.000 0.193 1755 E C 2.208 178.860 176.600 0.086 0.000 0.988 1755 E CA 0.986 57.419 56.400 0.054 0.000 0.804 1755 E CB 0.203 29.921 29.700 0.030 0.000 0.745 1755 E HN 0.314 nan 8.360 nan 0.000 0.458 1756 Q N -0.052 119.782 119.800 0.058 0.000 2.212 1756 Q HA -0.009 4.331 4.340 0.001 0.000 0.199 1756 Q C 2.130 178.206 176.000 0.127 0.000 0.950 1756 Q CA 0.603 56.461 55.803 0.091 0.000 0.863 1756 Q CB 0.004 28.746 28.738 0.006 0.000 0.944 1756 Q HN 0.369 nan 8.270 nan 0.000 0.465 1757 I N 0.663 121.246 120.570 0.021 0.000 2.142 1757 I HA -0.270 3.900 4.170 0.001 0.000 0.240 1757 I C 2.115 178.234 176.117 0.003 0.000 1.078 1757 I CA 1.148 62.396 61.300 -0.086 0.000 1.343 1757 I CB 0.017 37.873 38.000 -0.239 0.000 1.046 1757 I HN 0.126 nan 8.210 nan 0.000 0.405 1758 E N -0.157 120.077 120.200 0.057 0.000 2.204 1758 E HA -0.286 4.064 4.350 0.001 0.000 0.195 1758 E C 1.690 178.371 176.600 0.134 0.000 0.990 1758 E CA 1.144 57.592 56.400 0.080 0.000 0.821 1758 E CB -0.264 29.481 29.700 0.074 0.000 0.750 1758 E HN 0.536 nan 8.360 nan 0.000 0.477 1759 W N -0.118 121.205 121.300 0.039 0.000 2.436 1759 W HA -0.008 4.652 4.660 0.001 0.000 0.284 1759 W C 1.316 177.974 176.519 0.233 0.000 1.225 1759 W CA 0.925 58.347 57.345 0.129 0.000 1.271 1759 W CB -0.052 29.451 29.460 0.072 0.000 1.114 1759 W HN 0.034 nan 8.180 nan 0.000 0.559 1760 L N 0.182 121.538 121.223 0.221 0.000 2.141 1760 L HA -0.190 4.151 4.340 0.001 0.000 0.209 1760 L C 2.333 179.251 176.870 0.080 0.000 1.094 1760 L CA 1.035 55.935 54.840 0.100 0.000 0.763 1760 L CB -0.691 41.434 42.059 0.111 0.000 0.908 1760 L HN 0.016 nan 8.230 nan 0.000 0.437 1761 I N -0.389 120.204 120.570 0.038 0.000 2.202 1761 I HA -0.235 3.935 4.170 0.001 0.000 0.242 1761 I C 2.478 178.575 176.117 -0.033 0.000 1.091 1761 I CA 1.116 62.429 61.300 0.021 0.000 1.368 1761 I CB -0.265 37.755 38.000 0.033 0.000 1.058 1761 I HN 0.265 nan 8.210 nan 0.000 0.410 1762 E N 0.028 120.173 120.200 -0.092 0.000 2.265 1762 E HA -0.189 4.162 4.350 0.001 0.000 0.196 1762 E C 1.458 177.908 176.600 -0.251 0.000 0.996 1762 E CA 1.037 57.340 56.400 -0.162 0.000 0.832 1762 E CB -0.258 29.270 29.700 -0.286 0.000 0.756 1762 E HN 0.632 nan 8.360 nan 0.000 0.491 1763 H N 0.710 119.652 119.070 -0.214 0.000 2.517 1763 H HA 0.099 4.656 4.556 0.001 0.000 0.282 1763 H C -0.009 175.178 175.328 -0.236 0.000 1.023 1763 H CA 0.051 55.948 56.048 -0.252 0.000 1.169 1763 H CB 0.480 29.959 29.762 -0.472 0.000 1.454 1763 H HN -0.070 nan 8.280 nan 0.000 0.556 1764 K N -0.058 120.284 120.400 -0.097 0.000 3.244 1764 K HA -0.236 4.084 4.320 0.001 0.000 0.270 1764 K C -0.275 176.186 176.600 -0.232 0.000 1.016 1764 K CA 0.506 56.703 56.287 -0.150 0.000 0.754 1764 K CB -2.407 29.975 32.500 -0.197 0.000 1.326 1764 K HN 0.517 nan 8.250 nan 0.000 0.465 1765 Y N -0.999 119.250 120.300 -0.085 0.000 2.581 1765 Y HA 0.389 4.940 4.550 0.001 0.000 0.271 1765 Y C 1.330 177.181 175.900 -0.082 0.000 1.100 1765 Y CA -0.038 58.014 58.100 -0.080 0.000 1.281 1765 Y CB 0.863 39.330 38.460 0.012 0.000 1.237 1765 Y HN 0.159 nan 8.280 nan 0.000 0.514 1766 I N -0.122 120.529 120.570 0.135 0.000 2.934 1766 I HA 0.427 4.598 4.170 0.001 0.000 0.306 1766 I C -0.728 175.447 176.117 0.096 0.000 1.110 1766 I CA -1.097 60.274 61.300 0.117 0.000 1.019 1766 I CB 2.818 40.872 38.000 0.090 0.000 1.227 1766 I HN -0.160 nan 8.210 nan 0.000 0.434 1767 R N 3.053 123.641 120.500 0.147 0.000 2.740 1767 R HA 0.560 4.900 4.340 0.001 0.000 0.273 1767 R C -1.325 175.099 176.300 0.206 0.000 0.998 1767 R CA -0.857 55.318 56.100 0.125 0.000 0.900 1767 R CB 2.249 32.583 30.300 0.057 0.000 1.223 1767 R HN 0.559 nan 8.270 nan 0.000 0.466 1768 R N 1.739 122.329 120.500 0.149 0.000 2.229 1768 R HA 0.112 4.452 4.340 0.001 0.000 0.332 1768 R C -0.702 175.607 176.300 0.015 0.000 0.989 1768 R CA -0.702 55.454 56.100 0.093 0.000 0.842 1768 R CB 0.977 31.325 30.300 0.080 0.000 1.119 1768 R HN 0.568 nan 8.270 nan 0.000 0.456 1769 D N 2.272 122.657 120.400 -0.025 0.000 2.563 1769 D HA -0.167 4.474 4.640 0.001 0.000 0.229 1769 D C 0.851 177.134 176.300 -0.029 0.000 1.159 1769 D CA 0.803 54.786 54.000 -0.028 0.000 0.869 1769 D CB 0.944 41.712 40.800 -0.054 0.000 1.203 1769 D HN 0.651 nan 8.370 nan 0.000 0.478 1770 E N 1.732 121.921 120.200 -0.018 0.000 2.046 1770 E HA -0.161 4.189 4.350 0.001 0.000 0.190 1770 E C 1.644 178.231 176.600 -0.022 0.000 0.982 1770 E CA 0.933 57.323 56.400 -0.016 0.000 0.800 1770 E CB -0.063 29.630 29.700 -0.011 0.000 0.756 1770 E HN 0.383 nan 8.360 nan 0.000 0.449 1771 S N -0.098 115.588 115.700 -0.024 0.000 2.383 1771 S HA -0.149 4.322 4.470 0.001 0.000 0.227 1771 S C 0.269 174.848 174.600 -0.034 0.000 1.026 1771 S CA 1.246 59.431 58.200 -0.025 0.000 0.981 1771 S CB -0.025 63.163 63.200 -0.021 0.000 0.818 1771 S HN 0.345 nan 8.310 nan 0.000 0.472 1772 D N 0.050 120.420 120.400 -0.049 0.000 2.375 1772 D HA 0.300 4.940 4.640 0.001 0.000 0.259 1772 D C 0.855 177.093 176.300 -0.104 0.000 1.235 1772 D CA -0.344 53.615 54.000 -0.069 0.000 0.924 1772 D CB -0.114 40.642 40.800 -0.073 0.000 1.143 1772 D HN 0.150 nan 8.370 nan 0.000 0.529 1773 I N 2.167 122.686 120.570 -0.085 0.000 2.290 1773 I HA -0.318 3.852 4.170 0.001 0.000 0.253 1773 I C 0.672 176.677 176.117 -0.187 0.000 1.112 1773 I CA 1.130 62.373 61.300 -0.095 0.000 1.377 1773 I CB -0.027 37.943 38.000 -0.050 0.000 1.060 1773 I HN 0.389 nan 8.210 nan 0.000 0.428 1774 N N -0.464 118.109 118.700 -0.212 0.000 2.313 1774 N HA 0.039 4.780 4.740 0.001 0.000 0.207 1774 N C -0.289 174.899 175.510 -0.537 0.000 1.141 1774 N CA 0.166 53.022 53.050 -0.323 0.000 0.830 1774 N CB 0.471 38.862 38.487 -0.159 0.000 1.008 1774 N HN 0.041 nan 8.380 nan 0.000 0.481 1775 T N 0.093 114.322 114.554 -0.542 0.000 2.829 1775 T HA 0.464 4.814 4.350 0.001 0.000 0.280 1775 T C -0.953 173.395 174.700 -0.588 0.000 0.999 1775 T CA -0.472 61.333 62.100 -0.490 0.000 0.983 1775 T CB 0.679 69.427 68.868 -0.200 0.000 0.968 1775 T HN -0.076 nan 8.240 nan 0.000 0.446 1776 F N 3.097 123.073 119.950 0.043 0.000 2.443 1776 F HA 0.616 5.143 4.527 0.001 0.000 0.335 1776 F C 0.313 176.155 175.800 0.070 0.000 1.104 1776 F CA -1.101 56.933 58.000 0.057 0.000 1.013 1776 F CB 1.162 40.205 39.000 0.071 0.000 1.136 1776 F HN 0.252 nan 8.300 nan 0.000 0.470 1777 I N 3.504 124.219 120.570 0.243 0.000 2.362 1777 I HA 0.205 4.375 4.170 0.001 0.000 0.289 1777 I C -0.328 175.912 176.117 0.205 0.000 0.994 1777 I CA -0.974 60.434 61.300 0.179 0.000 1.158 1777 I CB 1.212 39.272 38.000 0.100 0.000 1.315 1777 I HN 0.574 nan 8.210 nan 0.000 0.451 1780 A N 0.000 122.558 122.820 -0.436 0.000 2.254 1780 A HA 0.000 4.321 4.320 0.001 0.000 0.244 1780 A CA 0.000 51.888 52.037 -0.248 0.000 0.836 1780 A CB 0.000 18.883 19.000 -0.195 0.000 0.831 1780 A HN 0.000 nan 8.150 nan 0.000 0.486