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 1a4l_1_D DATA FIRST_RESID 1504 DATA SEQUENCE TPAFNKPKVE LHVHLDGAIK PETILYFGKK RGIALPADTV EELRNIIGMD DATA SEQUENCE KPLSLPGFLA KFDYYMPVIA GCREAIKRIA YEFVEMKAKE GVVYVEVRYS DATA SEQUENCE PHLLANSKVD PMPWNQTEGD VTPDDVVDLV NQGLQEGEQA FGIKVRSILC DATA SEQUENCE CMRHQPSWSL EVLELCKKYN QKTVVAMDLA GDETIEGSSL FPGHVEAYEG DATA SEQUENCE AVKNGIHRTV HAGEVGSPEV VREAVDILKT ERVGHGYHTI EDEALYNRLL DATA SEQUENCE KENMHFEVCP WSSYLTGAWD PKTTHAVVRF KNDKANYSLN TDDPLIFKST DATA SEQUENCE LDTDYQMTKK DMGFTEEEFK RLNINAAKSS FLPEEEKKEL LERLYREYQ 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 1504 T HA 0.000 nan 4.350 nan 0.000 0.228 1504 T C 0.000 174.683 174.700 -0.028 0.000 1.109 1504 T CA 0.000 62.085 62.100 -0.025 0.000 1.349 1504 T CB 0.000 68.859 68.868 -0.015 0.000 0.612 1505 P HA 0.308 nan 4.420 nan 0.000 0.266 1505 P C 0.834 178.116 177.300 -0.030 0.000 1.195 1505 P CA -0.235 62.828 63.100 -0.061 0.000 0.768 1505 P CB 0.643 32.281 31.700 -0.102 0.000 0.838 1506 A N 3.519 126.332 122.820 -0.011 0.000 1.877 1506 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 1506 A C 0.892 178.552 177.584 0.127 0.000 1.186 1506 A CA 1.174 53.253 52.037 0.071 0.000 0.620 1506 A CB -0.740 18.315 19.000 0.091 0.000 0.822 1506 A HN 0.559 nan 8.150 nan 0.000 0.443 1507 F N 0.382 120.183 119.950 -0.248 0.000 2.552 1507 F HA 0.463 4.990 4.527 -0.000 0.000 0.369 1507 F C -0.296 175.345 175.800 -0.264 0.000 1.112 1507 F CA -1.837 56.003 58.000 -0.266 0.000 1.129 1507 F CB 0.449 39.117 39.000 -0.554 0.000 1.360 1507 F HN 0.106 nan 8.300 nan 0.000 0.473 1508 N N 5.061 123.546 118.700 -0.358 0.000 3.245 1508 N HA 0.231 4.971 4.740 -0.000 0.000 0.296 1508 N C -1.116 174.094 175.510 -0.501 0.000 1.254 1508 N CA 0.229 53.060 53.050 -0.365 0.000 1.190 1508 N CB -0.071 38.297 38.487 -0.198 0.000 1.460 1508 N HN 0.550 nan 8.380 nan 0.000 0.538 1509 K N 0.358 120.275 120.400 -0.805 0.000 2.533 1509 K HA 0.415 4.735 4.320 -0.000 0.000 0.284 1509 K C -2.893 173.476 176.600 -0.385 0.000 1.025 1509 K CA -2.105 53.801 56.287 -0.635 0.000 0.900 1509 K CB 1.280 33.247 32.500 -0.888 0.000 1.519 1509 K HN -0.005 nan 8.250 nan 0.000 0.432 1510 P HA -0.055 nan 4.420 nan 0.000 0.263 1510 P C -1.190 176.244 177.300 0.222 0.000 1.175 1510 P CA 0.636 63.783 63.100 0.077 0.000 0.761 1510 P CB 0.380 32.105 31.700 0.042 0.000 0.794 1511 K N 1.153 121.635 120.400 0.136 0.000 2.395 1511 K HA 0.694 5.014 4.320 -0.000 0.000 0.247 1511 K C -1.272 175.430 176.600 0.170 0.000 0.973 1511 K CA -1.047 55.365 56.287 0.208 0.000 0.828 1511 K CB 2.129 34.685 32.500 0.093 0.000 1.272 1511 K HN 0.022 nan 8.250 nan 0.000 0.439 1512 V N 1.464 121.504 119.914 0.210 0.000 2.483 1512 V HA 0.263 4.383 4.120 -0.000 0.000 0.297 1512 V C -0.964 175.235 176.094 0.175 0.000 1.027 1512 V CA -0.688 61.726 62.300 0.191 0.000 0.855 1512 V CB 1.550 33.499 31.823 0.209 0.000 0.995 1512 V HN 0.760 nan 8.190 nan 0.000 0.424 1513 E N 3.484 123.752 120.200 0.113 0.000 2.145 1513 E HA 0.504 4.854 4.350 -0.000 0.000 0.270 1513 E C -0.447 176.198 176.600 0.075 0.000 0.906 1513 E CA -0.590 55.887 56.400 0.128 0.000 0.761 1513 E CB 1.644 31.427 29.700 0.138 0.000 1.116 1513 E HN 0.512 nan 8.360 nan 0.000 0.408 1514 L N 3.227 124.524 121.223 0.124 0.000 2.701 1514 L HA 0.247 4.587 4.340 -0.000 0.000 0.238 1514 L C -0.140 176.825 176.870 0.159 0.000 1.106 1514 L CA 0.260 55.150 54.840 0.083 0.000 0.898 1514 L CB 0.114 42.203 42.059 0.050 0.000 1.188 1514 L HN 0.606 nan 8.230 nan 0.000 0.508 1515 H N -0.671 118.455 119.070 0.093 0.000 2.761 1515 H HA 0.634 5.190 4.556 -0.000 0.000 0.263 1515 H C -1.499 173.953 175.328 0.206 0.000 1.292 1515 H CA -0.284 55.826 56.048 0.104 0.000 1.540 1515 H CB 1.104 30.898 29.762 0.054 0.000 1.569 1515 H HN -0.201 nan 8.280 nan 0.000 0.510 1516 V N 4.797 124.829 119.914 0.197 0.000 2.888 1516 V HA 0.340 4.460 4.120 -0.000 0.000 0.309 1516 V C -1.311 174.888 176.094 0.175 0.000 1.114 1516 V CA -0.549 61.944 62.300 0.321 0.000 0.940 1516 V CB 2.019 34.073 31.823 0.385 0.000 1.021 1516 V HN 0.791 nan 8.190 nan 0.000 0.426 1517 H N 6.304 125.506 119.070 0.220 0.000 2.556 1517 H HA 0.246 4.802 4.556 -0.000 0.000 0.310 1517 H C 0.653 176.051 175.328 0.116 0.000 1.057 1517 H CA -0.303 55.867 56.048 0.202 0.000 1.264 1517 H CB 2.213 32.192 29.762 0.362 0.000 1.404 1517 H HN 0.690 nan 8.280 nan 0.000 0.462 1518 L N 4.021 125.246 121.223 0.002 0.000 2.013 1518 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 1518 L C 1.961 178.888 176.870 0.095 0.000 1.073 1518 L CA 2.122 56.866 54.840 -0.160 0.000 0.753 1518 L CB -0.413 41.463 42.059 -0.306 0.000 0.890 1518 L HN 0.723 nan 8.230 nan 0.000 0.432 1519 D N -1.699 118.862 120.400 0.269 0.000 2.312 1519 D HA -0.057 4.583 4.640 -0.000 0.000 0.211 1519 D C 1.865 178.449 176.300 0.473 0.000 0.964 1519 D CA 1.060 55.297 54.000 0.395 0.000 0.877 1519 D CB -0.778 40.324 40.800 0.504 0.000 0.924 1519 D HN 0.436 nan 8.370 nan 0.000 0.515 1520 G N -0.546 108.537 108.800 0.472 0.000 3.088 1520 G HA2 0.352 4.312 3.960 -0.000 0.000 0.217 1520 G HA3 0.352 4.312 3.960 -0.000 0.000 0.217 1520 G C 0.964 175.993 174.900 0.214 0.000 1.159 1520 G CA 0.208 45.501 45.100 0.322 0.000 0.760 1520 G HN 0.430 nan 8.290 nan 0.000 0.550 1521 A N 0.372 123.329 122.820 0.228 0.000 2.606 1521 A HA 0.582 4.902 4.320 -0.000 0.000 0.290 1521 A C 0.470 178.156 177.584 0.169 0.000 1.174 1521 A CA -0.435 51.752 52.037 0.250 0.000 0.958 1521 A CB -0.010 19.275 19.000 0.474 0.000 1.194 1521 A HN 0.241 nan 8.150 nan 0.000 0.526 1522 I N 0.628 121.224 120.570 0.043 0.000 2.662 1522 I HA 0.135 4.305 4.170 -0.000 0.000 0.291 1522 I C 0.246 176.329 176.117 -0.056 0.000 1.046 1522 I CA -0.303 60.995 61.300 -0.002 0.000 1.361 1522 I CB 0.962 38.926 38.000 -0.060 0.000 1.429 1522 I HN 0.118 nan 8.210 nan 0.000 0.558 1523 K N 5.643 126.037 120.400 -0.010 0.000 2.276 1523 K HA 0.210 4.530 4.320 -0.000 0.000 0.283 1523 K C -1.808 174.764 176.600 -0.046 0.000 1.044 1523 K CA -1.393 54.881 56.287 -0.022 0.000 0.944 1523 K CB 1.106 33.611 32.500 0.008 0.000 1.012 1523 K HN 0.245 nan 8.250 nan 0.000 0.472 1524 P HA -0.151 nan 4.420 nan 0.000 0.218 1524 P C 0.403 177.692 177.300 -0.019 0.000 1.149 1524 P CA 1.174 64.235 63.100 -0.065 0.000 0.817 1524 P CB 0.359 32.023 31.700 -0.059 0.000 0.785 1525 E N -1.175 119.019 120.200 -0.010 0.000 2.077 1525 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 1525 E C 1.904 178.522 176.600 0.029 0.000 0.989 1525 E CA 1.579 57.978 56.400 -0.002 0.000 0.800 1525 E CB -1.308 28.379 29.700 -0.023 0.000 0.746 1525 E HN 0.214 nan 8.360 nan 0.000 0.452 1526 T N 0.509 115.093 114.554 0.051 0.000 2.904 1526 T HA 0.022 4.372 4.350 -0.000 0.000 0.267 1526 T C 1.884 176.731 174.700 0.244 0.000 1.059 1526 T CA 0.566 62.748 62.100 0.138 0.000 1.137 1526 T CB -0.123 68.853 68.868 0.180 0.000 0.879 1526 T HN 0.062 nan 8.240 nan 0.000 0.467 1527 I N 0.763 121.421 120.570 0.146 0.000 2.090 1527 I HA -0.150 4.020 4.170 -0.000 0.000 0.236 1527 I C 2.359 178.551 176.117 0.124 0.000 1.064 1527 I CA 1.008 62.391 61.300 0.137 0.000 1.324 1527 I CB -0.416 37.594 38.000 0.017 0.000 1.044 1527 I HN 0.161 nan 8.210 nan 0.000 0.399 1528 L N 0.323 121.586 121.223 0.066 0.000 2.043 1528 L HA -0.302 4.038 4.340 -0.000 0.000 0.212 1528 L C 2.513 179.397 176.870 0.023 0.000 1.075 1528 L CA 1.956 56.818 54.840 0.037 0.000 0.752 1528 L CB -0.991 41.080 42.059 0.021 0.000 0.891 1528 L HN 0.267 nan 8.230 nan 0.000 0.432 1529 Y N -0.666 119.574 120.300 -0.099 0.000 2.081 1529 Y HA -0.326 4.224 4.550 0.000 0.000 0.280 1529 Y C 2.160 177.894 175.900 -0.277 0.000 1.163 1529 Y CA 2.174 60.138 58.100 -0.228 0.000 1.135 1529 Y CB -0.658 37.589 38.460 -0.355 0.000 0.970 1529 Y HN 0.219 nan 8.280 nan 0.000 0.498 1530 F N -0.035 119.849 119.950 -0.109 0.000 2.259 1530 F HA 0.040 4.567 4.527 -0.000 0.000 0.298 1530 F C 2.616 178.338 175.800 -0.130 0.000 1.088 1530 F CA 1.241 59.142 58.000 -0.165 0.000 1.358 1530 F CB -1.155 37.837 39.000 -0.015 0.000 1.040 1530 F HN 0.131 nan 8.300 nan 0.000 0.505 1531 G N 0.022 108.865 108.800 0.072 0.000 2.459 1531 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 1531 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 1531 G C 1.793 176.677 174.900 -0.026 0.000 1.183 1531 G CA 0.738 45.858 45.100 0.033 0.000 0.776 1531 G HN 0.249 nan 8.290 nan 0.000 0.552 1532 K N 0.134 120.486 120.400 -0.079 0.000 2.097 1532 K HA -0.021 4.299 4.320 -0.000 0.000 0.205 1532 K C 2.455 178.972 176.600 -0.138 0.000 1.050 1532 K CA 1.112 57.340 56.287 -0.099 0.000 0.938 1532 K CB -0.116 32.320 32.500 -0.106 0.000 0.718 1532 K HN 0.244 nan 8.250 nan 0.000 0.442 1533 K N 1.166 121.417 120.400 -0.248 0.000 2.097 1533 K HA -0.107 4.213 4.320 -0.000 0.000 0.205 1533 K C 1.869 178.412 176.600 -0.094 0.000 1.050 1533 K CA 1.172 57.309 56.287 -0.249 0.000 0.938 1533 K CB 0.177 32.382 32.500 -0.493 0.000 0.718 1533 K HN 0.038 nan 8.250 nan 0.000 0.442 1534 R N -1.110 119.370 120.500 -0.033 0.000 2.246 1534 R HA 0.080 4.420 4.340 -0.000 0.000 0.199 1534 R C 0.770 177.072 176.300 0.005 0.000 0.984 1534 R CA 0.601 56.709 56.100 0.014 0.000 1.015 1534 R CB 0.473 30.806 30.300 0.055 0.000 0.930 1534 R HN 0.389 nan 8.270 nan 0.000 0.475 1535 G N 1.848 110.642 108.800 -0.010 0.000 2.182 1535 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.248 1535 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.248 1535 G C -0.055 174.850 174.900 0.008 0.000 1.042 1535 G CA -0.161 44.936 45.100 -0.005 0.000 0.775 1535 G HN 0.204 nan 8.290 nan 0.000 0.501 1536 I N 0.627 121.205 120.570 0.014 0.000 2.493 1536 I HA 0.640 4.810 4.170 -0.000 0.000 0.298 1536 I C 0.980 177.110 176.117 0.021 0.000 0.998 1536 I CA -0.816 60.498 61.300 0.024 0.000 1.137 1536 I CB 1.876 39.897 38.000 0.035 0.000 1.310 1536 I HN 0.309 nan 8.210 nan 0.000 0.445 1537 A N 6.293 129.128 122.820 0.025 0.000 2.498 1537 A HA 0.496 4.816 4.320 -0.000 0.000 0.239 1537 A C -0.701 176.896 177.584 0.021 0.000 1.068 1537 A CA 0.258 52.307 52.037 0.020 0.000 0.766 1537 A CB 0.156 19.172 19.000 0.027 0.000 1.003 1537 A HN 0.475 nan 8.150 nan 0.000 0.497 1538 L N 2.804 124.030 121.223 0.004 0.000 2.409 1538 L HA 0.533 4.873 4.340 -0.000 0.000 0.262 1538 L C -1.475 175.362 176.870 -0.054 0.000 0.992 1538 L CA -1.382 53.452 54.840 -0.009 0.000 0.817 1538 L CB 1.814 43.869 42.059 -0.006 0.000 1.350 1538 L HN 0.579 nan 8.230 nan 0.000 0.411 1539 P HA 0.113 nan 4.420 nan 0.000 0.239 1539 P C -0.345 176.853 177.300 -0.170 0.000 1.184 1539 P CA 0.457 63.422 63.100 -0.224 0.000 0.760 1539 P CB 0.755 32.102 31.700 -0.588 0.000 0.884 1540 A N -0.237 122.514 122.820 -0.116 0.000 2.612 1540 A HA 0.458 4.778 4.320 -0.000 0.000 0.293 1540 A C -0.187 177.366 177.584 -0.051 0.000 1.075 1540 A CA -0.563 51.425 52.037 -0.081 0.000 0.680 1540 A CB 0.695 19.642 19.000 -0.088 0.000 1.279 1540 A HN -0.214 nan 8.150 nan 0.000 0.411 1541 D N 0.443 120.820 120.400 -0.037 0.000 2.367 1541 D HA 0.109 4.749 4.640 -0.000 0.000 0.207 1541 D C 0.791 177.078 176.300 -0.021 0.000 1.034 1541 D CA 1.587 55.572 54.000 -0.025 0.000 0.861 1541 D CB 0.600 41.387 40.800 -0.021 0.000 0.943 1541 D HN 0.748 nan 8.370 nan 0.000 0.515 1542 T N -2.174 112.366 114.554 -0.023 0.000 2.924 1542 T HA 0.330 4.680 4.350 -0.000 0.000 0.291 1542 T C 1.249 175.938 174.700 -0.020 0.000 1.045 1542 T CA -0.716 61.374 62.100 -0.017 0.000 1.015 1542 T CB 2.389 71.248 68.868 -0.014 0.000 1.103 1542 T HN -0.174 nan 8.240 nan 0.000 0.496 1543 V N -0.440 119.464 119.914 -0.015 0.000 2.970 1543 V HA 0.085 4.205 4.120 -0.000 0.000 0.260 1543 V C 2.017 178.100 176.094 -0.019 0.000 1.100 1543 V CA 1.899 64.188 62.300 -0.018 0.000 1.122 1543 V CB -0.909 30.905 31.823 -0.015 0.000 0.721 1543 V HN 0.905 nan 8.190 nan 0.000 0.483 1544 E N 0.429 120.620 120.200 -0.014 0.000 2.216 1544 E HA -0.059 4.291 4.350 -0.000 0.000 0.192 1544 E C 2.141 178.734 176.600 -0.012 0.000 0.988 1544 E CA 0.931 57.325 56.400 -0.010 0.000 0.834 1544 E CB -0.130 29.567 29.700 -0.006 0.000 0.772 1544 E HN 0.644 nan 8.360 nan 0.000 0.479 1545 E N -0.419 119.769 120.200 -0.020 0.000 2.250 1545 E HA -0.022 4.328 4.350 -0.000 0.000 0.192 1545 E C 1.684 178.258 176.600 -0.044 0.000 0.986 1545 E CA 0.092 56.476 56.400 -0.027 0.000 0.849 1545 E CB -0.013 29.669 29.700 -0.031 0.000 0.797 1545 E HN 0.201 nan 8.360 nan 0.000 0.482 1546 L N 1.043 122.238 121.223 -0.047 0.000 2.141 1546 L HA -0.071 4.269 4.340 -0.000 0.000 0.209 1546 L C 2.146 178.987 176.870 -0.048 0.000 1.094 1546 L CA 1.485 56.288 54.840 -0.062 0.000 0.763 1546 L CB -0.247 41.781 42.059 -0.052 0.000 0.908 1546 L HN -0.033 nan 8.230 nan 0.000 0.437 1547 R N -0.997 119.487 120.500 -0.028 0.000 2.090 1547 R HA -0.062 4.278 4.340 -0.000 0.000 0.228 1547 R C 1.844 178.152 176.300 0.013 0.000 1.110 1547 R CA 1.111 57.205 56.100 -0.010 0.000 0.973 1547 R CB -0.264 30.036 30.300 -0.000 0.000 0.869 1547 R HN 0.409 nan 8.270 nan 0.000 0.440 1548 N N 0.814 119.519 118.700 0.010 0.000 2.309 1548 N HA -0.128 4.612 4.740 -0.000 0.000 0.182 1548 N C 1.671 177.199 175.510 0.029 0.000 1.018 1548 N CA 0.972 54.038 53.050 0.026 0.000 0.876 1548 N CB 0.107 38.604 38.487 0.017 0.000 0.972 1548 N HN 0.276 nan 8.380 nan 0.000 0.434 1549 I N -0.083 120.483 120.570 -0.006 0.000 2.867 1549 I HA 0.084 4.254 4.170 -0.000 0.000 0.265 1549 I C 1.499 177.657 176.117 0.068 0.000 1.162 1549 I CA 0.362 61.652 61.300 -0.017 0.000 1.471 1549 I CB 0.265 38.168 38.000 -0.161 0.000 1.123 1549 I HN -0.085 nan 8.210 nan 0.000 0.440 1550 I N 0.999 121.601 120.570 0.054 0.000 2.761 1550 I HA 0.027 4.197 4.170 -0.000 0.000 0.261 1550 I C 1.341 177.522 176.117 0.106 0.000 1.198 1550 I CA 0.278 61.677 61.300 0.164 0.000 1.482 1550 I CB -0.578 37.476 38.000 0.089 0.000 1.100 1550 I HN 0.221 nan 8.210 nan 0.000 0.445 1551 G N 0.868 109.718 108.800 0.084 0.000 2.451 1551 G HA2 0.633 4.593 3.960 -0.000 0.000 0.303 1551 G HA3 0.633 4.593 3.960 -0.000 0.000 0.303 1551 G C -0.568 174.413 174.900 0.136 0.000 1.166 1551 G CA -0.539 44.620 45.100 0.099 0.000 0.884 1551 G HN -0.055 nan 8.290 nan 0.000 0.514 1552 M N 0.476 120.184 119.600 0.181 0.000 2.364 1552 M HA 0.289 4.769 4.480 -0.000 0.000 0.334 1552 M C -0.042 176.403 176.300 0.242 0.000 1.107 1552 M CA -0.535 54.883 55.300 0.197 0.000 0.988 1552 M CB 2.499 35.237 32.600 0.231 0.000 1.673 1552 M HN 0.559 nan 8.290 nan 0.000 0.441 1553 D N 1.300 121.815 120.400 0.192 0.000 2.422 1553 D HA 0.188 4.828 4.640 -0.000 0.000 0.218 1553 D C -0.387 176.036 176.300 0.204 0.000 1.047 1553 D CA 1.026 55.163 54.000 0.230 0.000 0.885 1553 D CB 0.835 41.738 40.800 0.173 0.000 1.035 1553 D HN 0.424 nan 8.370 nan 0.000 0.502 1554 K N -0.122 120.331 120.400 0.089 0.000 2.444 1554 K HA 0.518 4.838 4.320 -0.000 0.000 0.252 1554 K C -2.714 173.781 176.600 -0.176 0.000 0.993 1554 K CA -1.990 54.289 56.287 -0.014 0.000 0.847 1554 K CB 2.035 34.544 32.500 0.015 0.000 1.340 1554 K HN -0.243 nan 8.250 nan 0.000 0.446 1555 P HA 0.087 nan 4.420 nan 0.000 0.269 1555 P C -0.595 176.592 177.300 -0.190 0.000 1.209 1555 P CA 0.015 62.860 63.100 -0.425 0.000 0.776 1555 P CB 0.663 32.027 31.700 -0.560 0.000 0.876 1556 L N 0.608 121.755 121.223 -0.126 0.000 3.140 1556 L HA 0.476 4.816 4.340 -0.000 0.000 0.220 1556 L C -0.006 176.844 176.870 -0.033 0.000 1.508 1556 L CA -0.052 54.763 54.840 -0.042 0.000 2.372 1556 L CB 0.580 42.657 42.059 0.030 0.000 2.266 1556 L HN 0.537 nan 8.230 nan 0.000 0.788 1557 S N -1.693 114.021 115.700 0.024 0.000 2.643 1557 S HA 0.260 4.730 4.470 -0.000 0.000 0.270 1557 S C -0.084 174.577 174.600 0.103 0.000 1.166 1557 S CA -0.576 57.640 58.200 0.027 0.000 0.815 1557 S CB 1.440 64.649 63.200 0.016 0.000 1.139 1557 S HN 0.288 nan 8.310 nan 0.000 0.472 1558 L N 1.403 122.681 121.223 0.092 0.000 2.027 1558 L HA 0.261 4.601 4.340 -0.000 0.000 0.206 1558 L C -1.199 175.800 176.870 0.214 0.000 1.074 1558 L CA 1.697 56.642 54.840 0.175 0.000 0.745 1558 L CB -1.571 40.551 42.059 0.106 0.000 0.898 1558 L HN 0.598 nan 8.230 nan 0.000 0.433 1559 P HA -0.058 nan 4.420 nan 0.000 0.217 1559 P C 1.581 178.914 177.300 0.055 0.000 1.151 1559 P CA 1.593 64.730 63.100 0.061 0.000 0.828 1559 P CB -0.300 31.411 31.700 0.019 0.000 0.788 1560 G N -0.846 107.997 108.800 0.071 0.000 2.432 1560 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.219 1560 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.219 1560 G C 1.350 176.298 174.900 0.081 0.000 1.135 1560 G CA 0.314 45.446 45.100 0.053 0.000 0.767 1560 G HN 0.220 nan 8.290 nan 0.000 0.550 1561 F N 1.264 121.242 119.950 0.046 0.000 2.128 1561 F HA 0.139 4.666 4.527 -0.000 0.000 0.295 1561 F C 2.329 178.209 175.800 0.133 0.000 1.100 1561 F CA 0.917 58.967 58.000 0.083 0.000 1.260 1561 F CB -0.325 38.766 39.000 0.152 0.000 1.009 1561 F HN 0.030 nan 8.300 nan 0.000 0.476 1562 L N 0.458 121.600 121.223 -0.136 0.000 2.191 1562 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 1562 L C 2.604 179.438 176.870 -0.060 0.000 1.103 1562 L CA 0.956 55.710 54.840 -0.142 0.000 0.769 1562 L CB -1.176 40.875 42.059 -0.012 0.000 0.908 1562 L HN 0.299 nan 8.230 nan 0.000 0.438 1563 A N -0.693 122.057 122.820 -0.116 0.000 2.209 1563 A HA -0.093 4.227 4.320 -0.000 0.000 0.212 1563 A C 2.177 179.570 177.584 -0.319 0.000 1.158 1563 A CA 0.841 52.785 52.037 -0.155 0.000 0.742 1563 A CB -0.196 18.713 19.000 -0.151 0.000 0.790 1563 A HN 0.163 nan 8.150 nan 0.000 0.472 1564 K N -0.615 119.573 120.400 -0.354 0.000 2.155 1564 K HA -0.034 4.286 4.320 -0.000 0.000 0.203 1564 K C 1.282 177.567 176.600 -0.524 0.000 1.052 1564 K CA 0.886 56.881 56.287 -0.488 0.000 0.948 1564 K CB -0.512 31.745 32.500 -0.406 0.000 0.728 1564 K HN 0.568 nan 8.250 nan 0.000 0.448 1565 F N 2.409 122.035 119.950 -0.540 0.000 2.202 1565 F HA -0.176 4.351 4.527 -0.000 0.000 0.301 1565 F C 1.904 177.190 175.800 -0.857 0.000 1.082 1565 F CA 1.156 58.665 58.000 -0.818 0.000 1.313 1565 F CB -0.393 38.370 39.000 -0.394 0.000 1.024 1565 F HN 0.070 nan 8.300 nan 0.000 0.495 1566 D N -0.722 119.534 120.400 -0.240 0.000 2.182 1566 D HA -0.218 4.422 4.640 -0.000 0.000 0.201 1566 D C 2.107 178.329 176.300 -0.131 0.000 0.986 1566 D CA 1.294 55.235 54.000 -0.099 0.000 0.847 1566 D CB -0.451 40.358 40.800 0.016 0.000 0.942 1566 D HN 0.259 nan 8.370 nan 0.000 0.467 1567 Y N 0.394 120.568 120.300 -0.210 0.000 2.097 1567 Y HA -0.239 4.311 4.550 -0.000 0.000 0.282 1567 Y C 2.314 178.161 175.900 -0.088 0.000 1.152 1567 Y CA 0.936 58.974 58.100 -0.103 0.000 1.136 1567 Y CB -1.029 37.424 38.460 -0.013 0.000 0.975 1567 Y HN 0.245 nan 8.280 nan 0.000 0.498 1568 Y N -5.019 115.269 120.300 -0.021 0.000 2.535 1568 Y HA 0.233 4.783 4.550 0.000 0.000 0.264 1568 Y C 1.893 177.654 175.900 -0.232 0.000 1.087 1568 Y CA -0.120 57.916 58.100 -0.105 0.000 1.285 1568 Y CB -0.874 37.537 38.460 -0.081 0.000 1.200 1568 Y HN -0.205 nan 8.280 nan 0.000 0.514 1569 M N 1.447 120.639 119.600 -0.679 0.000 2.144 1569 M HA -0.091 4.389 4.480 -0.000 0.000 0.260 1569 M C -0.795 175.129 176.300 -0.627 0.000 1.067 1569 M CA 1.542 56.380 55.300 -0.770 0.000 1.095 1569 M CB -2.127 29.499 32.600 -1.624 0.000 1.365 1569 M HN 0.220 nan 8.290 nan 0.000 0.406 1570 P HA -0.081 nan 4.420 nan 0.000 0.223 1570 P C 1.802 179.066 177.300 -0.060 0.000 1.144 1570 P CA 0.919 63.913 63.100 -0.177 0.000 0.783 1570 P CB -0.033 31.646 31.700 -0.035 0.000 0.771 1571 V N -1.006 118.879 119.914 -0.048 0.000 2.878 1571 V HA -0.080 4.040 4.120 -0.000 0.000 0.250 1571 V C 1.959 178.049 176.094 -0.008 0.000 1.075 1571 V CA 1.241 63.555 62.300 0.024 0.000 1.096 1571 V CB -0.495 31.377 31.823 0.083 0.000 0.724 1571 V HN 0.031 nan 8.190 nan 0.000 0.467 1572 I N -0.090 120.450 120.570 -0.051 0.000 2.810 1572 I HA 0.222 4.392 4.170 -0.000 0.000 0.262 1572 I C 1.530 177.577 176.117 -0.117 0.000 1.131 1572 I CA 0.616 61.841 61.300 -0.125 0.000 1.453 1572 I CB -1.176 36.795 38.000 -0.048 0.000 1.161 1572 I HN 0.215 nan 8.210 nan 0.000 0.444 1573 A N 0.957 123.743 122.820 -0.055 0.000 2.565 1573 A HA 0.315 4.635 4.320 -0.000 0.000 0.237 1573 A C 1.585 179.179 177.584 0.016 0.000 1.053 1573 A CA 1.024 53.078 52.037 0.030 0.000 0.755 1573 A CB -0.542 18.554 19.000 0.159 0.000 0.980 1573 A HN 0.840 nan 8.150 nan 0.000 0.506 1574 G N 0.248 109.058 108.800 0.017 0.000 2.220 1574 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.269 1574 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.269 1574 G C 0.567 175.444 174.900 -0.038 0.000 0.977 1574 G CA 0.635 45.737 45.100 0.003 0.000 0.634 1574 G HN 1.775 nan 8.290 nan 0.000 0.539 1575 C N 1.788 121.030 119.300 -0.097 0.000 2.255 1575 C HA 0.676 5.136 4.460 -0.000 0.000 0.326 1575 C C 2.111 177.006 174.990 -0.159 0.000 1.258 1575 C CA -0.331 58.598 59.018 -0.148 0.000 1.676 1575 C CB -0.138 27.433 27.740 -0.282 0.000 2.314 1575 C HN 0.530 nan 8.230 nan 0.000 0.509 1576 R N 2.324 122.771 120.500 -0.088 0.000 2.080 1576 R HA -0.156 4.184 4.340 -0.000 0.000 0.236 1576 R C 2.089 178.347 176.300 -0.070 0.000 1.137 1576 R CA 2.252 58.313 56.100 -0.065 0.000 0.943 1576 R CB -0.175 30.110 30.300 -0.025 0.000 0.846 1576 R HN 0.901 nan 8.270 nan 0.000 0.431 1577 E N 0.993 121.169 120.200 -0.041 0.000 2.153 1577 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 1577 E C 1.923 178.502 176.600 -0.036 0.000 0.988 1577 E CA 1.189 57.603 56.400 0.025 0.000 0.811 1577 E CB -0.166 29.624 29.700 0.151 0.000 0.746 1577 E HN 0.345 nan 8.360 nan 0.000 0.466 1578 A N 1.874 124.468 122.820 -0.376 0.000 1.872 1578 A HA -0.059 4.261 4.320 -0.000 0.000 0.214 1578 A C 2.281 179.708 177.584 -0.262 0.000 1.187 1578 A CA 1.148 52.754 52.037 -0.718 0.000 0.614 1578 A CB -0.585 17.567 19.000 -1.413 0.000 0.826 1578 A HN 0.250 nan 8.150 nan 0.000 0.442 1579 I N -0.600 119.846 120.570 -0.208 0.000 2.208 1579 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 1579 I C 2.597 178.661 176.117 -0.088 0.000 1.097 1579 I CA 1.700 62.919 61.300 -0.135 0.000 1.363 1579 I CB -0.263 37.665 38.000 -0.121 0.000 1.051 1579 I HN 0.317 nan 8.210 nan 0.000 0.413 1580 K N 0.581 120.950 120.400 -0.051 0.000 2.057 1580 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 1580 K C 2.387 179.025 176.600 0.063 0.000 1.050 1580 K CA 1.082 57.370 56.287 0.002 0.000 0.935 1580 K CB -0.048 32.461 32.500 0.015 0.000 0.715 1580 K HN 0.161 nan 8.250 nan 0.000 0.439 1581 R N 1.292 121.838 120.500 0.077 0.000 2.073 1581 R HA -0.125 4.215 4.340 -0.000 0.000 0.234 1581 R C 2.407 178.809 176.300 0.171 0.000 1.134 1581 R CA 1.723 57.911 56.100 0.146 0.000 0.952 1581 R CB -0.405 30.030 30.300 0.225 0.000 0.850 1581 R HN 0.334 nan 8.270 nan 0.000 0.433 1582 I N -1.806 118.830 120.570 0.111 0.000 2.361 1582 I HA -0.111 4.059 4.170 -0.000 0.000 0.251 1582 I C 2.245 178.434 176.117 0.120 0.000 1.133 1582 I CA 1.557 62.920 61.300 0.106 0.000 1.413 1582 I CB -0.513 37.515 38.000 0.047 0.000 1.073 1582 I HN 0.027 nan 8.210 nan 0.000 0.424 1583 A N 1.163 124.028 122.820 0.075 0.000 1.841 1583 A HA -0.209 4.111 4.320 -0.000 0.000 0.214 1583 A C 2.372 180.066 177.584 0.182 0.000 1.195 1583 A CA 1.695 53.776 52.037 0.073 0.000 0.611 1583 A CB -1.355 17.645 19.000 0.001 0.000 0.835 1583 A HN 0.615 nan 8.150 nan 0.000 0.443 1584 Y N 0.937 121.283 120.300 0.078 0.000 2.053 1584 Y HA -0.277 4.273 4.550 -0.000 0.000 0.277 1584 Y C 2.325 178.259 175.900 0.057 0.000 1.159 1584 Y CA 2.510 60.666 58.100 0.094 0.000 1.125 1584 Y CB -0.463 38.056 38.460 0.098 0.000 0.969 1584 Y HN 0.484 nan 8.280 nan 0.000 0.492 1585 E N -0.675 119.708 120.200 0.304 0.000 2.130 1585 E HA -0.271 4.079 4.350 -0.000 0.000 0.196 1585 E C 2.028 178.605 176.600 -0.038 0.000 0.998 1585 E CA 1.436 57.914 56.400 0.129 0.000 0.806 1585 E CB -0.541 29.257 29.700 0.165 0.000 0.738 1585 E HN 0.589 nan 8.360 nan 0.000 0.459 1586 F N 1.252 121.157 119.950 -0.076 0.000 2.095 1586 F HA -0.245 4.282 4.527 0.000 0.000 0.298 1586 F C 2.110 177.806 175.800 -0.173 0.000 1.104 1586 F CA 1.246 59.191 58.000 -0.093 0.000 1.232 1586 F CB -0.305 38.664 39.000 -0.051 0.000 0.987 1586 F HN -0.207 nan 8.300 nan 0.000 0.475 1587 V N 0.777 120.565 119.914 -0.211 0.000 2.287 1587 V HA -0.340 3.780 4.120 -0.000 0.000 0.248 1587 V C 2.411 178.118 176.094 -0.644 0.000 1.053 1587 V CA 2.278 64.365 62.300 -0.355 0.000 1.027 1587 V CB -0.983 30.736 31.823 -0.175 0.000 0.646 1587 V HN 0.498 nan 8.190 nan 0.000 0.447 1588 E N -0.110 119.538 120.200 -0.921 0.000 2.070 1588 E HA -0.287 4.063 4.350 -0.000 0.000 0.197 1588 E C 2.224 178.363 176.600 -0.769 0.000 1.004 1588 E CA 2.044 57.608 56.400 -1.394 0.000 0.805 1588 E CB -0.181 28.837 29.700 -1.137 0.000 0.744 1588 E HN 0.581 nan 8.360 nan 0.000 0.451 1589 M N 0.112 119.387 119.600 -0.543 0.000 2.086 1589 M HA -0.145 4.335 4.480 -0.000 0.000 0.261 1589 M C 2.321 178.385 176.300 -0.394 0.000 1.067 1589 M CA 1.242 56.308 55.300 -0.391 0.000 1.116 1589 M CB -0.098 32.304 32.600 -0.329 0.000 1.348 1589 M HN -0.081 nan 8.290 nan 0.000 0.407 1590 K N 0.526 120.607 120.400 -0.532 0.000 2.057 1590 K HA -0.062 4.258 4.320 -0.000 0.000 0.207 1590 K C 2.079 178.515 176.600 -0.272 0.000 1.049 1590 K CA 1.683 57.715 56.287 -0.425 0.000 0.931 1590 K CB -0.753 31.413 32.500 -0.557 0.000 0.714 1590 K HN 0.353 nan 8.250 nan 0.000 0.440 1591 A N 1.690 124.339 122.820 -0.285 0.000 1.902 1591 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 1591 A C 2.092 179.596 177.584 -0.133 0.000 1.181 1591 A CA 1.539 53.479 52.037 -0.161 0.000 0.623 1591 A CB -0.303 18.634 19.000 -0.105 0.000 0.818 1591 A HN 0.268 nan 8.150 nan 0.000 0.443 1592 K N -0.256 120.036 120.400 -0.179 0.000 2.147 1592 K HA -0.141 4.179 4.320 -0.000 0.000 0.205 1592 K C 1.638 178.165 176.600 -0.121 0.000 1.049 1592 K CA 1.495 57.706 56.287 -0.127 0.000 0.936 1592 K CB -0.150 32.266 32.500 -0.139 0.000 0.722 1592 K HN 0.607 nan 8.250 nan 0.000 0.446 1593 E N -0.486 119.627 120.200 -0.145 0.000 2.478 1593 E HA -0.055 4.295 4.350 -0.000 0.000 0.198 1593 E C 0.723 177.241 176.600 -0.136 0.000 1.046 1593 E CA 0.420 56.739 56.400 -0.134 0.000 0.870 1593 E CB 0.170 29.791 29.700 -0.133 0.000 0.818 1593 E HN 0.511 nan 8.360 nan 0.000 0.527 1594 G N 0.887 109.616 108.800 -0.118 0.000 2.130 1594 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 1594 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 1594 G C 0.170 175.024 174.900 -0.078 0.000 0.999 1594 G CA 0.026 45.062 45.100 -0.106 0.000 0.686 1594 G HN 0.134 nan 8.290 nan 0.000 0.515 1595 V N 1.172 121.044 119.914 -0.069 0.000 2.498 1595 V HA 0.407 4.527 4.120 -0.000 0.000 0.279 1595 V C 1.770 177.864 176.094 -0.001 0.000 1.048 1595 V CA 0.219 62.503 62.300 -0.027 0.000 0.967 1595 V CB 1.516 33.313 31.823 -0.044 0.000 0.988 1595 V HN 0.853 nan 8.190 nan 0.000 0.473 1596 V N 1.938 121.879 119.914 0.045 0.000 3.307 1596 V HA 0.316 4.436 4.120 -0.000 0.000 0.253 1596 V C 0.130 176.319 176.094 0.159 0.000 1.149 1596 V CA 0.463 62.806 62.300 0.071 0.000 1.112 1596 V CB -0.369 31.483 31.823 0.047 0.000 0.777 1596 V HN 0.685 nan 8.190 nan 0.000 0.464 1597 Y N 0.510 120.823 120.300 0.022 0.000 2.441 1597 Y HA 0.731 5.281 4.550 -0.000 0.000 0.334 1597 Y C -1.233 174.703 175.900 0.061 0.000 1.061 1597 Y CA -1.593 56.528 58.100 0.035 0.000 1.032 1597 Y CB 2.118 40.590 38.460 0.019 0.000 1.266 1597 Y HN -0.051 nan 8.280 nan 0.000 0.441 1598 V N 4.557 124.038 119.914 -0.721 0.000 2.841 1598 V HA 0.521 4.641 4.120 -0.000 0.000 0.310 1598 V C -1.072 174.700 176.094 -0.538 0.000 1.090 1598 V CA -1.144 60.879 62.300 -0.462 0.000 0.930 1598 V CB 2.143 33.948 31.823 -0.031 0.000 1.014 1598 V HN 0.736 nan 8.190 nan 0.000 0.425 1599 E N 2.041 122.070 120.200 -0.285 0.000 2.186 1599 E HA 0.519 4.869 4.350 -0.000 0.000 0.255 1599 E C -1.276 175.300 176.600 -0.039 0.000 0.881 1599 E CA -0.495 55.822 56.400 -0.138 0.000 0.752 1599 E CB 2.241 31.898 29.700 -0.072 0.000 1.176 1599 E HN 0.578 nan 8.360 nan 0.000 0.421 1600 V N 3.363 123.244 119.914 -0.055 0.000 2.407 1600 V HA 0.428 4.548 4.120 -0.000 0.000 0.278 1600 V C 0.379 176.433 176.094 -0.066 0.000 1.037 1600 V CA -0.828 61.376 62.300 -0.159 0.000 0.900 1600 V CB 0.686 32.243 31.823 -0.443 0.000 0.983 1600 V HN 0.611 nan 8.190 nan 0.000 0.459 1601 R N 3.822 124.251 120.500 -0.120 0.000 2.758 1601 R HA 0.877 5.217 4.340 -0.000 0.000 0.265 1601 R C -1.200 175.110 176.300 0.016 0.000 1.016 1601 R CA -0.691 55.335 56.100 -0.122 0.000 1.040 1601 R CB 1.931 32.058 30.300 -0.289 0.000 1.152 1601 R HN 0.856 nan 8.270 nan 0.000 0.503 1602 Y N -3.257 116.967 120.300 -0.127 0.000 2.786 1602 Y HA 0.306 4.856 4.550 -0.000 0.000 0.365 1602 Y C -1.779 174.136 175.900 0.025 0.000 1.171 1602 Y CA -1.178 56.911 58.100 -0.018 0.000 1.214 1602 Y CB 0.744 39.195 38.460 -0.015 0.000 1.411 1602 Y HN 0.688 nan 8.280 nan 0.000 0.485 1603 S N 3.803 119.571 115.700 0.112 0.000 2.422 1603 S HA 0.432 4.902 4.470 -0.000 0.000 0.298 1603 S C -1.708 172.962 174.600 0.115 0.000 1.118 1603 S CA -1.486 56.751 58.200 0.062 0.000 1.083 1603 S CB 0.861 64.176 63.200 0.192 0.000 0.971 1603 S HN 0.600 nan 8.310 nan 0.000 0.478 1604 P HA -0.107 nan 4.420 nan 0.000 0.218 1604 P C 0.562 177.756 177.300 -0.177 0.000 1.149 1604 P CA 1.328 64.402 63.100 -0.044 0.000 0.817 1604 P CB -0.064 31.506 31.700 -0.216 0.000 0.785 1605 H N -0.199 118.690 119.070 -0.303 0.000 2.423 1605 H HA 0.037 4.593 4.556 -0.000 0.000 0.297 1605 H C 2.079 177.199 175.328 -0.347 0.000 1.075 1605 H CA 0.817 56.516 56.048 -0.583 0.000 1.342 1605 H CB -0.961 27.883 29.762 -1.531 0.000 1.395 1605 H HN 0.047 nan 8.280 nan 0.000 0.530 1606 L N -0.058 121.174 121.223 0.015 0.000 2.549 1606 L HA -0.090 4.250 4.340 -0.000 0.000 0.229 1606 L C 0.672 177.782 176.870 0.401 0.000 1.158 1606 L CA 0.319 55.309 54.840 0.250 0.000 0.842 1606 L CB 0.116 42.404 42.059 0.382 0.000 0.952 1606 L HN 0.286 nan 8.230 nan 0.000 0.452 1607 L N -1.068 120.284 121.223 0.214 0.000 2.906 1607 L HA 0.384 4.724 4.340 -0.000 0.000 0.255 1607 L C 0.805 177.726 176.870 0.085 0.000 1.166 1607 L CA 0.060 55.003 54.840 0.173 0.000 0.977 1607 L CB -0.023 42.105 42.059 0.114 0.000 1.313 1607 L HN -0.044 nan 8.230 nan 0.000 0.549 1608 A N 0.219 123.066 122.820 0.045 0.000 2.282 1608 A HA 0.602 4.922 4.320 -0.000 0.000 0.319 1608 A C 0.654 178.259 177.584 0.035 0.000 1.121 1608 A CA -0.075 51.959 52.037 -0.006 0.000 0.836 1608 A CB 0.313 19.256 19.000 -0.095 0.000 1.146 1608 A HN 0.493 nan 8.150 nan 0.000 0.494 1609 N N -0.800 117.914 118.700 0.024 0.000 2.167 1609 N HA 0.218 4.958 4.740 -0.000 0.000 0.234 1609 N C -0.529 174.996 175.510 0.025 0.000 1.312 1609 N CA 0.064 53.139 53.050 0.042 0.000 0.861 1609 N CB 0.835 39.354 38.487 0.055 0.000 1.217 1609 N HN 0.396 nan 8.380 nan 0.000 0.504 1610 S N 0.669 116.373 115.700 0.006 0.000 2.536 1610 S HA 0.285 4.755 4.470 -0.000 0.000 0.271 1610 S C -0.944 173.652 174.600 -0.006 0.000 1.134 1610 S CA -0.551 57.652 58.200 0.005 0.000 0.897 1610 S CB 0.903 64.105 63.200 0.003 0.000 1.094 1610 S HN 0.279 nan 8.310 nan 0.000 0.473 1611 K N 1.111 121.515 120.400 0.007 0.000 3.148 1611 K HA -0.124 4.196 4.320 -0.000 0.000 0.267 1611 K C -0.963 175.643 176.600 0.010 0.000 0.996 1611 K CA 0.796 57.089 56.287 0.009 0.000 0.737 1611 K CB -1.999 30.501 32.500 -0.000 0.000 1.308 1611 K HN 0.427 nan 8.250 nan 0.000 0.470 1612 V N 0.242 120.174 119.914 0.029 0.000 2.419 1612 V HA 0.056 4.176 4.120 -0.000 0.000 0.287 1612 V C 1.291 177.465 176.094 0.133 0.000 1.017 1612 V CA -0.759 61.570 62.300 0.048 0.000 0.844 1612 V CB 1.644 33.460 31.823 -0.011 0.000 1.011 1612 V HN 0.220 nan 8.190 nan 0.000 0.429 1613 D N 5.185 125.703 120.400 0.195 0.000 2.156 1613 D HA -0.090 4.550 4.640 -0.000 0.000 0.190 1613 D C -1.266 175.127 176.300 0.155 0.000 0.998 1613 D CA 1.706 55.802 54.000 0.160 0.000 0.842 1613 D CB -0.248 40.640 40.800 0.147 0.000 0.974 1613 D HN 0.471 nan 8.370 nan 0.000 0.447 1614 P HA 0.150 nan 4.420 nan 0.000 0.274 1614 P C -0.550 176.857 177.300 0.178 0.000 1.470 1614 P CA -0.272 62.904 63.100 0.127 0.000 1.001 1614 P CB 0.334 32.046 31.700 0.019 0.000 1.332 1615 M N 6.518 126.177 119.600 0.099 0.000 2.501 1615 M HA 0.104 4.584 4.480 -0.000 0.000 0.363 1615 M C -2.276 174.034 176.300 0.016 0.000 1.708 1615 M CA -1.750 53.592 55.300 0.069 0.000 1.078 1615 M CB -0.682 31.950 32.600 0.052 0.000 2.107 1615 M HN 0.114 nan 8.290 nan 0.000 0.466 1616 P HA 0.055 nan 4.420 nan 0.000 0.269 1616 P C -0.953 176.224 177.300 -0.206 0.000 1.215 1616 P CA 0.289 63.195 63.100 -0.322 0.000 0.780 1616 P CB 0.110 31.586 31.700 -0.374 0.000 0.898 1617 W N 0.812 122.159 121.300 0.079 0.000 6.554 1617 W HA -0.277 4.383 4.660 0.000 0.000 0.398 1617 W C 0.141 176.686 176.519 0.044 0.000 1.492 1617 W CA 0.561 57.936 57.345 0.050 0.000 1.078 1617 W CB -3.228 26.259 29.460 0.045 0.000 2.653 1617 W HN 0.554 nan 8.180 nan 0.000 1.591 1618 N N -1.315 117.469 118.700 0.139 0.000 2.686 1618 N HA -0.283 4.457 4.740 -0.000 0.000 0.249 1618 N C 0.555 176.137 175.510 0.119 0.000 1.082 1618 N CA 1.328 54.442 53.050 0.106 0.000 0.725 1618 N CB -0.688 37.858 38.487 0.098 0.000 1.009 1618 N HN 0.628 nan 8.380 nan 0.000 0.545 1619 Q N -0.056 119.831 119.800 0.145 0.000 2.524 1619 Q HA 0.183 4.523 4.340 -0.000 0.000 0.246 1619 Q C 0.151 176.201 176.000 0.084 0.000 1.063 1619 Q CA 0.407 56.288 55.803 0.130 0.000 0.945 1619 Q CB 0.558 29.387 28.738 0.152 0.000 1.292 1619 Q HN 0.156 nan 8.270 nan 0.000 0.518 1620 T N 1.810 116.406 114.554 0.070 0.000 2.837 1620 T HA 0.091 4.441 4.350 -0.000 0.000 0.285 1620 T C -0.287 174.441 174.700 0.046 0.000 0.984 1620 T CA -0.747 61.384 62.100 0.051 0.000 1.049 1620 T CB 0.935 69.829 68.868 0.043 0.000 0.947 1620 T HN 0.332 nan 8.240 nan 0.000 0.472 1621 E N 1.895 122.118 120.200 0.038 0.000 2.694 1621 E HA 0.089 4.439 4.350 -0.000 0.000 0.250 1621 E C 0.581 177.198 176.600 0.028 0.000 0.963 1621 E CA 0.354 56.774 56.400 0.032 0.000 0.949 1621 E CB 0.602 30.318 29.700 0.027 0.000 0.911 1621 E HN 0.844 nan 8.360 nan 0.000 0.500 1622 G N 2.578 111.393 108.800 0.026 0.000 3.247 1622 G HA2 0.169 4.129 3.960 -0.000 0.000 0.163 1622 G HA3 0.169 4.129 3.960 -0.000 0.000 0.163 1622 G C 0.081 174.990 174.900 0.014 0.000 1.206 1622 G CA 0.156 45.268 45.100 0.020 0.000 0.918 1622 G HN 0.523 nan 8.290 nan 0.000 0.625 1623 D N -1.605 118.800 120.400 0.010 0.000 2.525 1623 D HA 0.067 4.707 4.640 -0.000 0.000 0.231 1623 D C 0.278 176.578 176.300 -0.000 0.000 1.216 1623 D CA -0.102 53.902 54.000 0.006 0.000 0.813 1623 D CB 0.093 40.897 40.800 0.007 0.000 1.108 1623 D HN 0.167 nan 8.370 nan 0.000 0.524 1624 V N 2.171 122.083 119.914 -0.003 0.000 2.387 1624 V HA 0.285 4.405 4.120 -0.000 0.000 0.260 1624 V C 0.516 176.595 176.094 -0.024 0.000 1.054 1624 V CA -0.007 62.286 62.300 -0.013 0.000 0.967 1624 V CB 0.292 32.106 31.823 -0.015 0.000 1.036 1624 V HN 0.122 nan 8.190 nan 0.000 0.481 1625 T N 7.268 121.803 114.554 -0.032 0.000 2.899 1625 T HA 0.255 4.605 4.350 -0.000 0.000 0.284 1625 T C -1.562 173.080 174.700 -0.097 0.000 1.004 1625 T CA -1.300 60.766 62.100 -0.056 0.000 1.043 1625 T CB 1.526 70.371 68.868 -0.038 0.000 1.013 1625 T HN 0.324 nan 8.240 nan 0.000 0.518 1626 P HA -0.173 nan 4.420 nan 0.000 0.216 1626 P C 1.372 178.564 177.300 -0.180 0.000 1.150 1626 P CA 0.941 63.862 63.100 -0.299 0.000 0.843 1626 P CB 0.132 31.460 31.700 -0.619 0.000 0.787 1627 D N -0.642 119.697 120.400 -0.101 0.000 2.117 1627 D HA -0.184 4.456 4.640 -0.000 0.000 0.197 1627 D C 1.186 177.487 176.300 0.002 0.000 0.987 1627 D CA 1.214 55.217 54.000 0.006 0.000 0.829 1627 D CB -0.245 40.590 40.800 0.059 0.000 0.961 1627 D HN 0.067 nan 8.370 nan 0.000 0.460 1628 D N 0.503 120.894 120.400 -0.015 0.000 2.178 1628 D HA -0.141 4.499 4.640 -0.000 0.000 0.201 1628 D C 2.213 178.485 176.300 -0.045 0.000 0.980 1628 D CA 0.927 54.918 54.000 -0.015 0.000 0.842 1628 D CB -0.257 40.536 40.800 -0.012 0.000 0.948 1628 D HN 0.317 nan 8.370 nan 0.000 0.472 1629 V N -0.304 119.576 119.914 -0.057 0.000 2.515 1629 V HA -0.168 3.952 4.120 -0.000 0.000 0.250 1629 V C 2.179 178.234 176.094 -0.065 0.000 1.058 1629 V CA 1.166 63.434 62.300 -0.053 0.000 1.064 1629 V CB -0.489 31.322 31.823 -0.020 0.000 0.675 1629 V HN 0.005 nan 8.190 nan 0.000 0.461 1630 V N 1.372 121.224 119.914 -0.104 0.000 2.270 1630 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 1630 V C 2.587 178.469 176.094 -0.353 0.000 1.043 1630 V CA 2.610 64.776 62.300 -0.224 0.000 1.014 1630 V CB -1.026 30.514 31.823 -0.470 0.000 0.645 1630 V HN 0.720 nan 8.190 nan 0.000 0.447 1631 D N -0.186 120.020 120.400 -0.323 0.000 2.149 1631 D HA -0.172 4.468 4.640 -0.000 0.000 0.198 1631 D C 1.897 178.147 176.300 -0.084 0.000 0.990 1631 D CA 1.128 55.029 54.000 -0.165 0.000 0.839 1631 D CB -0.102 40.710 40.800 0.019 0.000 0.948 1631 D HN 0.186 nan 8.370 nan 0.000 0.460 1632 L N 0.026 121.203 121.223 -0.077 0.000 2.056 1632 L HA -0.051 4.289 4.340 -0.000 0.000 0.207 1632 L C 2.552 179.380 176.870 -0.071 0.000 1.078 1632 L CA 0.804 55.611 54.840 -0.056 0.000 0.749 1632 L CB -0.990 41.033 42.059 -0.060 0.000 0.901 1632 L HN 0.068 nan 8.230 nan 0.000 0.433 1633 V N -0.116 119.726 119.914 -0.120 0.000 2.307 1633 V HA -0.292 3.828 4.120 -0.000 0.000 0.245 1633 V C 2.148 178.198 176.094 -0.073 0.000 1.045 1633 V CA 1.801 64.007 62.300 -0.156 0.000 1.024 1633 V CB -0.727 30.921 31.823 -0.291 0.000 0.651 1633 V HN 0.530 nan 8.190 nan 0.000 0.449 1634 N N -0.268 118.392 118.700 -0.067 0.000 2.094 1634 N HA -0.267 4.473 4.740 -0.000 0.000 0.191 1634 N C 1.907 177.433 175.510 0.026 0.000 1.023 1634 N CA 1.544 54.583 53.050 -0.018 0.000 0.857 1634 N CB -0.172 38.292 38.487 -0.038 0.000 1.013 1634 N HN 0.617 nan 8.380 nan 0.000 0.426 1635 Q N 0.166 119.979 119.800 0.023 0.000 2.020 1635 Q HA -0.085 4.255 4.340 -0.000 0.000 0.202 1635 Q C 2.492 178.547 176.000 0.091 0.000 0.982 1635 Q CA 1.391 57.227 55.803 0.055 0.000 0.838 1635 Q CB -0.339 28.425 28.738 0.043 0.000 0.899 1635 Q HN 0.433 nan 8.270 nan 0.000 0.423 1636 G N 1.317 110.169 108.800 0.087 0.000 2.446 1636 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 1636 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 1636 G C 1.456 176.458 174.900 0.171 0.000 1.168 1636 G CA 0.708 45.906 45.100 0.163 0.000 0.771 1636 G HN 0.145 nan 8.290 nan 0.000 0.551 1637 L N -0.238 121.046 121.223 0.101 0.000 2.017 1637 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 1637 L C 3.175 180.107 176.870 0.104 0.000 1.073 1637 L CA 1.365 56.263 54.840 0.096 0.000 0.745 1637 L CB -0.576 41.525 42.059 0.071 0.000 0.894 1637 L HN 0.292 nan 8.230 nan 0.000 0.432 1638 Q N -0.230 119.630 119.800 0.101 0.000 2.170 1638 Q HA -0.208 4.132 4.340 -0.000 0.000 0.203 1638 Q C 2.081 178.151 176.000 0.116 0.000 0.976 1638 Q CA 1.352 57.215 55.803 0.100 0.000 0.858 1638 Q CB -0.030 28.761 28.738 0.088 0.000 0.907 1638 Q HN 0.544 nan 8.270 nan 0.000 0.433 1639 E N -0.142 120.152 120.200 0.156 0.000 2.072 1639 E HA -0.122 4.228 4.350 -0.000 0.000 0.190 1639 E C 2.074 178.809 176.600 0.225 0.000 0.982 1639 E CA 0.926 57.454 56.400 0.213 0.000 0.803 1639 E CB -0.150 29.733 29.700 0.305 0.000 0.755 1639 E HN 0.457 nan 8.360 nan 0.000 0.453 1640 G N 1.161 110.057 108.800 0.160 0.000 2.422 1640 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.218 1640 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.218 1640 G C 1.384 176.376 174.900 0.153 0.000 1.140 1640 G CA 0.659 45.778 45.100 0.032 0.000 0.775 1640 G HN 0.231 nan 8.290 nan 0.000 0.545 1641 E N -0.210 120.056 120.200 0.110 0.000 2.051 1641 E HA -0.198 4.152 4.350 -0.000 0.000 0.192 1641 E C 2.542 179.190 176.600 0.080 0.000 0.991 1641 E CA 1.204 57.664 56.400 0.101 0.000 0.799 1641 E CB -0.040 29.717 29.700 0.095 0.000 0.748 1641 E HN 0.335 nan 8.360 nan 0.000 0.449 1642 Q N -0.042 119.798 119.800 0.068 0.000 2.084 1642 Q HA -0.063 4.277 4.340 -0.000 0.000 0.202 1642 Q C 1.834 177.817 176.000 -0.028 0.000 0.978 1642 Q CA 1.823 57.645 55.803 0.031 0.000 0.844 1642 Q CB -0.258 28.506 28.738 0.043 0.000 0.898 1642 Q HN 0.387 nan 8.270 nan 0.000 0.426 1643 A N -1.303 121.479 122.820 -0.064 0.000 1.970 1643 A HA -0.023 4.297 4.320 -0.000 0.000 0.216 1643 A C 1.206 178.416 177.584 -0.622 0.000 1.170 1643 A CA 0.862 52.704 52.037 -0.325 0.000 0.645 1643 A CB -0.235 18.542 19.000 -0.371 0.000 0.816 1643 A HN 0.374 nan 8.150 nan 0.000 0.447 1644 F N -1.147 118.768 119.950 -0.059 0.000 2.678 1644 F HA 0.381 4.908 4.527 -0.000 0.000 0.305 1644 F C 1.687 177.460 175.800 -0.045 0.000 1.090 1644 F CA 0.368 58.327 58.000 -0.068 0.000 1.272 1644 F CB 0.353 39.280 39.000 -0.122 0.000 1.060 1644 F HN 0.302 nan 8.300 nan 0.000 0.576 1645 G N 2.152 110.992 108.800 0.066 0.000 2.160 1645 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.251 1645 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.251 1645 G C 0.161 175.099 174.900 0.063 0.000 1.008 1645 G CA 0.551 45.680 45.100 0.049 0.000 0.724 1645 G HN 0.522 nan 8.290 nan 0.000 0.514 1646 I N -3.715 116.905 120.570 0.083 0.000 2.892 1646 I HA 0.858 5.028 4.170 -0.000 0.000 0.306 1646 I C -0.293 175.886 176.117 0.104 0.000 1.078 1646 I CA -1.768 59.580 61.300 0.080 0.000 1.032 1646 I CB 2.059 40.090 38.000 0.053 0.000 1.229 1646 I HN -0.006 nan 8.210 nan 0.000 0.435 1647 K N 3.395 123.888 120.400 0.154 0.000 2.211 1647 K HA 0.662 4.982 4.320 -0.000 0.000 0.275 1647 K C -1.563 175.162 176.600 0.209 0.000 1.024 1647 K CA -0.517 55.900 56.287 0.217 0.000 0.887 1647 K CB 1.520 34.192 32.500 0.286 0.000 1.084 1647 K HN 0.619 nan 8.250 nan 0.000 0.463 1648 V N 4.916 124.920 119.914 0.150 0.000 2.656 1648 V HA 0.597 4.717 4.120 -0.000 0.000 0.307 1648 V C -0.455 175.705 176.094 0.111 0.000 1.051 1648 V CA -1.031 61.314 62.300 0.075 0.000 0.893 1648 V CB 1.665 33.545 31.823 0.095 0.000 0.999 1648 V HN 0.783 nan 8.190 nan 0.000 0.426 1649 R N 1.708 122.243 120.500 0.058 0.000 2.808 1649 R HA 0.749 5.089 4.340 -0.000 0.000 0.272 1649 R C -0.572 175.769 176.300 0.069 0.000 0.995 1649 R CA -0.615 55.553 56.100 0.114 0.000 0.917 1649 R CB 2.339 32.771 30.300 0.221 0.000 1.217 1649 R HN 0.893 nan 8.270 nan 0.000 0.471 1650 S N 0.427 116.185 115.700 0.096 0.000 2.704 1650 S HA 0.780 5.250 4.470 -0.000 0.000 0.305 1650 S C 0.079 174.721 174.600 0.069 0.000 1.107 1650 S CA -0.787 57.468 58.200 0.091 0.000 0.993 1650 S CB 1.601 64.900 63.200 0.165 0.000 1.110 1650 S HN 0.452 nan 8.310 nan 0.000 0.534 1651 I N 0.960 121.538 120.570 0.013 0.000 2.569 1651 I HA 0.328 4.498 4.170 -0.000 0.000 0.290 1651 I C -1.173 174.832 176.117 -0.186 0.000 1.088 1651 I CA -0.724 60.560 61.300 -0.027 0.000 1.047 1651 I CB 1.880 39.895 38.000 0.025 0.000 1.237 1651 I HN 0.454 nan 8.210 nan 0.000 0.421 1652 L N 5.070 126.169 121.223 -0.207 0.000 2.275 1652 L HA 0.459 4.799 4.340 -0.000 0.000 0.288 1652 L C -0.554 176.219 176.870 -0.162 0.000 1.046 1652 L CA -0.600 54.047 54.840 -0.321 0.000 0.805 1652 L CB 1.406 43.303 42.059 -0.269 0.000 1.193 1652 L HN 0.620 nan 8.230 nan 0.000 0.426 1653 C N 1.977 121.190 119.300 -0.145 0.000 2.452 1653 C HA 0.358 4.818 4.460 -0.000 0.000 0.379 1653 C C 0.656 175.689 174.990 0.072 0.000 1.275 1653 C CA -0.797 58.219 59.018 -0.003 0.000 2.056 1653 C CB 0.455 28.213 27.740 0.031 0.000 2.506 1653 C HN 0.779 nan 8.230 nan 0.000 0.560 1654 C N 5.247 124.609 119.300 0.103 0.000 2.330 1654 C HA 0.486 4.946 4.460 -0.000 0.000 0.344 1654 C C 0.299 175.348 174.990 0.099 0.000 1.273 1654 C CA -0.500 58.612 59.018 0.157 0.000 1.879 1654 C CB -0.040 27.818 27.740 0.197 0.000 2.376 1654 C HN 0.782 nan 8.230 nan 0.000 0.534 1655 M N 3.689 123.369 119.600 0.134 0.000 2.188 1655 M HA 0.271 4.751 4.480 -0.000 0.000 0.357 1655 M C 1.394 177.712 176.300 0.031 0.000 1.204 1655 M CA 0.137 55.459 55.300 0.037 0.000 1.095 1655 M CB 0.694 33.269 32.600 -0.041 0.000 1.604 1655 M HN 0.745 nan 8.290 nan 0.000 0.464 1656 R N 1.347 121.861 120.500 0.024 0.000 2.103 1656 R HA -0.194 4.146 4.340 -0.000 0.000 0.242 1656 R C 1.926 178.430 176.300 0.340 0.000 1.142 1656 R CA 1.952 58.119 56.100 0.112 0.000 0.960 1656 R CB -0.415 29.896 30.300 0.019 0.000 0.858 1656 R HN 0.730 nan 8.270 nan 0.000 0.439 1657 H N -0.513 118.630 119.070 0.122 0.000 2.495 1657 H HA 0.025 4.581 4.556 -0.000 0.000 0.287 1657 H C 0.222 175.492 175.328 -0.096 0.000 1.033 1657 H CA 0.595 56.680 56.048 0.060 0.000 1.307 1657 H CB 0.238 29.966 29.762 -0.056 0.000 1.401 1657 H HN 0.053 nan 8.280 nan 0.000 0.555 1658 Q N 1.420 120.774 119.800 -0.744 0.000 2.788 1658 Q HA 0.232 4.572 4.340 -0.000 0.000 0.278 1658 Q C -2.007 173.717 176.000 -0.460 0.000 1.126 1658 Q CA -1.896 53.391 55.803 -0.860 0.000 1.017 1658 Q CB 1.616 29.321 28.738 -1.723 0.000 1.219 1658 Q HN 0.371 nan 8.270 nan 0.000 0.503 1659 P HA -0.138 nan 4.420 nan 0.000 0.222 1659 P C 1.275 178.434 177.300 -0.235 0.000 1.147 1659 P CA 1.078 63.919 63.100 -0.432 0.000 0.790 1659 P CB 0.306 31.677 31.700 -0.548 0.000 0.780 1660 S N -2.593 112.940 115.700 -0.279 0.000 2.469 1660 S HA -0.147 4.323 4.470 -0.000 0.000 0.238 1660 S C 1.397 176.028 174.600 0.052 0.000 0.998 1660 S CA 0.623 58.738 58.200 -0.141 0.000 0.957 1660 S CB -1.205 61.887 63.200 -0.180 0.000 0.764 1660 S HN 0.174 nan 8.310 nan 0.000 0.514 1661 W N 2.036 123.205 121.300 -0.219 0.000 2.812 1661 W HA 0.410 5.070 4.660 -0.000 0.000 0.263 1661 W C 2.479 178.925 176.519 -0.121 0.000 1.284 1661 W CA -0.766 56.380 57.345 -0.331 0.000 1.430 1661 W CB -1.339 27.722 29.460 -0.665 0.000 1.088 1661 W HN 0.283 nan 8.180 nan 0.000 0.623 1662 S N 1.271 117.085 115.700 0.190 0.000 2.359 1662 S HA -0.209 4.261 4.470 -0.000 0.000 0.223 1662 S C 1.972 176.651 174.600 0.132 0.000 1.039 1662 S CA 1.487 59.806 58.200 0.199 0.000 1.042 1662 S CB -0.816 62.556 63.200 0.288 0.000 0.915 1662 S HN 0.172 nan 8.310 nan 0.000 0.439 1663 L N 1.014 122.297 121.223 0.100 0.000 2.191 1663 L HA -0.124 4.216 4.340 -0.000 0.000 0.212 1663 L C 2.682 179.593 176.870 0.069 0.000 1.103 1663 L CA 1.235 56.115 54.840 0.068 0.000 0.769 1663 L CB -0.430 41.659 42.059 0.050 0.000 0.908 1663 L HN 0.411 nan 8.230 nan 0.000 0.438 1664 E N -0.034 120.232 120.200 0.110 0.000 2.152 1664 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 1664 E C 2.215 178.881 176.600 0.110 0.000 0.983 1664 E CA 0.771 57.244 56.400 0.122 0.000 0.818 1664 E CB 0.267 30.088 29.700 0.203 0.000 0.758 1664 E HN 0.270 nan 8.360 nan 0.000 0.467 1665 V N 1.491 121.492 119.914 0.145 0.000 2.407 1665 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 1665 V C 2.360 178.458 176.094 0.006 0.000 1.055 1665 V CA 1.192 63.543 62.300 0.085 0.000 1.049 1665 V CB -0.478 31.400 31.823 0.092 0.000 0.662 1665 V HN 0.314 nan 8.190 nan 0.000 0.455 1666 L N 0.354 121.575 121.223 -0.004 0.000 1.994 1666 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 1666 L C 2.533 179.387 176.870 -0.026 0.000 1.071 1666 L CA 1.918 56.732 54.840 -0.044 0.000 0.745 1666 L CB -0.931 41.100 42.059 -0.046 0.000 0.892 1666 L HN 0.268 nan 8.230 nan 0.000 0.431 1667 E N -0.458 119.740 120.200 -0.005 0.000 2.160 1667 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 1667 E C 2.201 178.804 176.600 0.005 0.000 0.991 1667 E CA 0.812 57.208 56.400 -0.007 0.000 0.810 1667 E CB -0.318 29.382 29.700 0.000 0.000 0.742 1667 E HN 0.335 nan 8.360 nan 0.000 0.466 1668 L N 0.140 121.383 121.223 0.034 0.000 2.072 1668 L HA -0.108 4.232 4.340 -0.000 0.000 0.205 1668 L C 2.461 179.413 176.870 0.136 0.000 1.079 1668 L CA 0.960 55.870 54.840 0.116 0.000 0.752 1668 L CB -1.353 40.747 42.059 0.067 0.000 0.906 1668 L HN 0.193 nan 8.230 nan 0.000 0.436 1669 C N -0.259 119.065 119.300 0.040 0.000 2.425 1669 C HA -0.161 4.299 4.460 -0.000 0.000 0.277 1669 C C 2.745 177.743 174.990 0.014 0.000 1.280 1669 C CA 0.510 59.539 59.018 0.018 0.000 1.744 1669 C CB -0.559 27.151 27.740 -0.049 0.000 1.989 1669 C HN 0.473 nan 8.230 nan 0.000 0.491 1670 K N 0.995 121.385 120.400 -0.017 0.000 1.984 1670 K HA -0.161 4.159 4.320 -0.000 0.000 0.209 1670 K C 2.201 178.763 176.600 -0.063 0.000 1.046 1670 K CA 1.196 57.458 56.287 -0.042 0.000 0.934 1670 K CB -0.296 32.173 32.500 -0.051 0.000 0.717 1670 K HN 0.415 nan 8.250 nan 0.000 0.438 1671 K N 0.395 120.733 120.400 -0.104 0.000 2.063 1671 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 1671 K C 0.858 177.238 176.600 -0.366 0.000 1.048 1671 K CA 1.530 57.659 56.287 -0.264 0.000 0.928 1671 K CB 0.021 32.295 32.500 -0.378 0.000 0.713 1671 K HN 0.157 nan 8.250 nan 0.000 0.442 1672 Y N 0.951 121.245 120.300 -0.011 0.000 2.625 1672 Y HA 0.177 4.727 4.550 -0.000 0.000 0.285 1672 Y C 0.022 175.927 175.900 0.009 0.000 1.168 1672 Y CA -0.868 57.234 58.100 0.003 0.000 1.250 1672 Y CB -0.170 38.296 38.460 0.009 0.000 1.130 1672 Y HN 0.034 nan 8.280 nan 0.000 0.526 1673 N N 2.067 120.816 118.700 0.082 0.000 2.365 1673 N HA -0.122 4.618 4.740 -0.000 0.000 0.265 1673 N C 0.665 176.224 175.510 0.082 0.000 1.288 1673 N CA 1.032 54.118 53.050 0.060 0.000 0.869 1673 N CB 0.399 38.891 38.487 0.008 0.000 1.071 1673 N HN 0.374 nan 8.380 nan 0.000 0.480 1674 Q N 0.284 120.146 119.800 0.104 0.000 2.224 1674 Q HA -0.286 4.054 4.340 -0.000 0.000 0.189 1674 Q C -0.206 175.865 176.000 0.119 0.000 0.639 1674 Q CA 1.294 57.165 55.803 0.113 0.000 1.436 1674 Q CB -1.213 27.580 28.738 0.091 0.000 1.626 1674 Q HN 0.768 nan 8.270 nan 0.000 0.768 1675 K N 1.400 121.883 120.400 0.138 0.000 3.006 1675 K HA 0.102 4.422 4.320 -0.000 0.000 0.262 1675 K C 0.719 177.412 176.600 0.155 0.000 1.289 1675 K CA 1.073 57.455 56.287 0.158 0.000 1.245 1675 K CB -0.417 32.215 32.500 0.221 0.000 1.614 1675 K HN 0.398 nan 8.250 nan 0.000 0.322 1676 T N -4.157 110.476 114.554 0.131 0.000 12.066 1676 T HA -0.213 4.137 4.350 -0.000 0.000 0.400 1676 T C 0.304 175.080 174.700 0.126 0.000 1.585 1676 T CA 0.969 63.142 62.100 0.122 0.000 2.577 1676 T CB -1.663 67.263 68.868 0.096 0.000 2.675 1676 T HN 0.060 nan 8.240 nan 0.000 0.761 1677 V N 4.185 124.172 119.914 0.122 0.000 2.446 1677 V HA 0.462 4.582 4.120 -0.000 0.000 0.276 1677 V C 2.024 178.188 176.094 0.117 0.000 1.030 1677 V CA 0.299 62.662 62.300 0.104 0.000 1.033 1677 V CB 1.002 32.878 31.823 0.089 0.000 0.993 1677 V HN 0.914 nan 8.190 nan 0.000 0.477 1678 V N 1.955 121.950 119.914 0.136 0.000 3.621 1678 V HA 0.785 4.905 4.120 -0.000 0.000 0.263 1678 V C 0.612 176.779 176.094 0.123 0.000 1.272 1678 V CA 0.754 63.166 62.300 0.187 0.000 1.080 1678 V CB 0.051 32.045 31.823 0.285 0.000 0.816 1678 V HN 0.925 nan 8.190 nan 0.000 0.451 1679 A N 0.154 123.000 122.820 0.044 0.000 2.564 1679 A HA 0.803 5.123 4.320 -0.000 0.000 0.291 1679 A C -1.121 176.414 177.584 -0.080 0.000 1.102 1679 A CA -0.438 51.537 52.037 -0.104 0.000 0.660 1679 A CB 1.685 20.525 19.000 -0.267 0.000 1.283 1679 A HN 0.330 nan 8.150 nan 0.000 0.430 1680 M N 0.651 120.168 119.600 -0.139 0.000 2.578 1680 M HA 0.662 5.142 4.480 -0.000 0.000 0.321 1680 M C -1.460 174.821 176.300 -0.032 0.000 1.182 1680 M CA -0.305 54.910 55.300 -0.142 0.000 0.965 1680 M CB 1.857 34.273 32.600 -0.306 0.000 1.694 1680 M HN 0.913 nan 8.290 nan 0.000 0.461 1681 D N 2.213 122.643 120.400 0.049 0.000 2.552 1681 D HA 0.597 5.237 4.640 -0.000 0.000 0.239 1681 D C -2.180 174.272 176.300 0.254 0.000 1.139 1681 D CA -0.510 53.618 54.000 0.213 0.000 0.914 1681 D CB 2.051 42.959 40.800 0.180 0.000 1.461 1681 D HN 0.507 nan 8.370 nan 0.000 0.462 1682 L N 1.825 123.221 121.223 0.288 0.000 2.376 1682 L HA 0.900 5.240 4.340 -0.000 0.000 0.275 1682 L C -1.237 175.637 176.870 0.007 0.000 0.987 1682 L CA -0.241 54.661 54.840 0.104 0.000 0.828 1682 L CB 0.844 42.891 42.059 -0.019 0.000 1.249 1682 L HN 0.603 nan 8.230 nan 0.000 0.409 1683 A N 2.855 125.596 122.820 -0.132 0.000 2.475 1683 A HA 1.054 5.374 4.320 -0.000 0.000 0.281 1683 A C 0.149 177.649 177.584 -0.140 0.000 1.263 1683 A CA -0.141 51.671 52.037 -0.375 0.000 0.776 1683 A CB 1.000 19.826 19.000 -0.289 0.000 1.347 1683 A HN 1.808 nan 8.150 nan 0.000 0.443 1684 G N -0.616 108.127 108.800 -0.095 0.000 2.384 1684 G HA2 0.200 4.160 3.960 -0.000 0.000 0.204 1684 G HA3 0.200 4.160 3.960 -0.000 0.000 0.204 1684 G C -1.063 173.860 174.900 0.038 0.000 1.237 1684 G CA 0.016 45.129 45.100 0.022 0.000 1.060 1684 G HN 1.084 nan 8.290 nan 0.000 0.514 1685 D N 0.628 121.059 120.400 0.051 0.000 2.344 1685 D HA 0.288 4.928 4.640 -0.000 0.000 0.253 1685 D C 1.328 177.639 176.300 0.019 0.000 1.255 1685 D CA 0.174 54.198 54.000 0.040 0.000 0.894 1685 D CB 0.986 41.798 40.800 0.021 0.000 1.067 1685 D HN 0.516 nan 8.370 nan 0.000 0.492 1686 E N 1.670 121.879 120.200 0.016 0.000 2.418 1686 E HA -0.120 4.230 4.350 -0.000 0.000 0.197 1686 E C 1.196 177.779 176.600 -0.028 0.000 1.026 1686 E CA 0.672 57.067 56.400 -0.009 0.000 0.862 1686 E CB 0.332 30.036 29.700 0.008 0.000 0.799 1686 E HN 0.564 nan 8.360 nan 0.000 0.518 1687 T N -1.586 112.958 114.554 -0.016 0.000 3.113 1687 T HA 0.079 4.429 4.350 -0.000 0.000 0.256 1687 T C 1.009 175.699 174.700 -0.016 0.000 1.131 1687 T CA -0.166 61.921 62.100 -0.022 0.000 1.074 1687 T CB -0.262 68.596 68.868 -0.016 0.000 0.944 1687 T HN 0.047 nan 8.240 nan 0.000 0.516 1688 I N 3.117 123.680 120.570 -0.012 0.000 2.455 1688 I HA 0.067 4.237 4.170 -0.000 0.000 0.303 1688 I C 0.332 176.429 176.117 -0.034 0.000 1.180 1688 I CA -0.295 61.011 61.300 0.009 0.000 1.469 1688 I CB -0.147 37.886 38.000 0.054 0.000 1.480 1688 I HN 0.195 nan 8.210 nan 0.000 0.669 1689 E N 5.166 125.359 120.200 -0.012 0.000 3.131 1689 E HA -0.163 4.187 4.350 -0.000 0.000 0.258 1689 E C 1.257 177.828 176.600 -0.049 0.000 0.901 1689 E CA 1.098 57.485 56.400 -0.022 0.000 0.964 1689 E CB 0.262 29.967 29.700 0.010 0.000 0.903 1689 E HN 0.928 nan 8.360 nan 0.000 0.537 1690 G N 3.237 111.973 108.800 -0.107 0.000 2.179 1690 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.257 1690 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.257 1690 G C 1.003 175.599 174.900 -0.506 0.000 1.010 1690 G CA 0.959 45.962 45.100 -0.162 0.000 0.736 1690 G HN 0.581 nan 8.290 nan 0.000 0.513 1691 S N -0.519 114.754 115.700 -0.711 0.000 2.453 1691 S HA -0.002 4.468 4.470 -0.000 0.000 0.231 1691 S C 2.310 176.482 174.600 -0.714 0.000 1.005 1691 S CA 1.589 58.974 58.200 -1.358 0.000 0.949 1691 S CB -0.182 62.607 63.200 -0.684 0.000 0.774 1691 S HN 0.782 nan 8.310 nan 0.000 0.510 1692 S N 1.876 117.356 115.700 -0.367 0.000 2.428 1692 S HA 0.152 4.622 4.470 -0.000 0.000 0.230 1692 S C 1.209 175.745 174.600 -0.107 0.000 1.014 1692 S CA 0.530 58.611 58.200 -0.199 0.000 0.957 1692 S CB -0.349 62.756 63.200 -0.158 0.000 0.784 1692 S HN 0.310 nan 8.310 nan 0.000 0.499 1693 L N 1.190 122.334 121.223 -0.132 0.000 2.629 1693 L HA 0.354 4.694 4.340 -0.000 0.000 0.230 1693 L C -0.481 176.473 176.870 0.139 0.000 1.151 1693 L CA 0.035 54.873 54.840 -0.002 0.000 0.924 1693 L CB -0.873 41.188 42.059 0.003 0.000 1.137 1693 L HN 0.127 nan 8.230 nan 0.000 0.457 1694 F N 0.946 120.920 119.950 0.040 0.000 2.541 1694 F HA 0.175 4.702 4.527 0.000 0.000 0.378 1694 F C -0.781 174.969 175.800 -0.083 0.000 1.068 1694 F CA -2.770 55.191 58.000 -0.065 0.000 1.199 1694 F CB -0.028 38.849 39.000 -0.205 0.000 1.091 1694 F HN -0.017 nan 8.300 nan 0.000 0.555 1695 P HA -0.226 nan 4.420 nan 0.000 0.219 1695 P C 1.758 179.077 177.300 0.031 0.000 1.161 1695 P CA 2.460 65.589 63.100 0.048 0.000 0.909 1695 P CB 0.087 31.789 31.700 0.003 0.000 0.793 1696 G N -1.273 107.499 108.800 -0.046 0.000 2.529 1696 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.219 1696 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.219 1696 G C 1.193 176.133 174.900 0.066 0.000 1.177 1696 G CA 1.502 46.572 45.100 -0.051 0.000 0.773 1696 G HN 0.384 nan 8.290 nan 0.000 0.573 1697 H N -0.473 118.691 119.070 0.157 0.000 2.270 1697 H HA -0.049 4.507 4.556 0.000 0.000 0.299 1697 H C 2.824 178.282 175.328 0.216 0.000 1.077 1697 H CA 0.912 57.080 56.048 0.200 0.000 1.294 1697 H CB -0.177 29.656 29.762 0.119 0.000 1.371 1697 H HN 0.180 nan 8.280 nan 0.000 0.491 1698 V N 1.255 121.311 119.914 0.237 0.000 2.317 1698 V HA -0.302 3.818 4.120 -0.000 0.000 0.251 1698 V C 2.040 178.233 176.094 0.165 0.000 1.065 1698 V CA 2.118 64.512 62.300 0.157 0.000 1.049 1698 V CB -0.443 31.439 31.823 0.098 0.000 0.651 1698 V HN 0.490 nan 8.190 nan 0.000 0.450 1699 E N -0.131 120.152 120.200 0.139 0.000 2.046 1699 E HA -0.110 4.240 4.350 -0.000 0.000 0.190 1699 E C 2.390 179.057 176.600 0.112 0.000 0.982 1699 E CA 1.104 57.566 56.400 0.103 0.000 0.800 1699 E CB -0.363 29.377 29.700 0.066 0.000 0.756 1699 E HN 0.590 nan 8.360 nan 0.000 0.449 1700 A N 0.891 123.795 122.820 0.140 0.000 1.873 1700 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 1700 A C 1.954 179.559 177.584 0.035 0.000 1.193 1700 A CA 1.540 53.625 52.037 0.080 0.000 0.629 1700 A CB -1.011 18.049 19.000 0.099 0.000 0.826 1700 A HN 0.274 nan 8.150 nan 0.000 0.447 1701 Y N 0.158 120.489 120.300 0.051 0.000 2.165 1701 Y HA -0.192 4.358 4.550 -0.000 0.000 0.286 1701 Y C 2.521 178.431 175.900 0.017 0.000 1.155 1701 Y CA 1.888 60.007 58.100 0.032 0.000 1.164 1701 Y CB -0.335 38.150 38.460 0.043 0.000 0.978 1701 Y HN 0.444 nan 8.280 nan 0.000 0.513 1702 E N -0.901 119.400 120.200 0.168 0.000 2.153 1702 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 1702 E C 2.434 179.058 176.600 0.040 0.000 0.988 1702 E CA 0.872 57.327 56.400 0.090 0.000 0.811 1702 E CB -0.417 29.328 29.700 0.075 0.000 0.746 1702 E HN 0.580 nan 8.360 nan 0.000 0.466 1703 G N 0.990 109.804 108.800 0.024 0.000 2.421 1703 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.217 1703 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.217 1703 G C 1.652 176.524 174.900 -0.046 0.000 1.143 1703 G CA 0.624 45.718 45.100 -0.011 0.000 0.784 1703 G HN 0.319 nan 8.290 nan 0.000 0.541 1704 A N 0.503 123.279 122.820 -0.074 0.000 1.858 1704 A HA 0.024 4.344 4.320 -0.000 0.000 0.216 1704 A C 2.607 180.137 177.584 -0.091 0.000 1.190 1704 A CA 1.955 53.915 52.037 -0.128 0.000 0.617 1704 A CB -0.802 18.068 19.000 -0.217 0.000 0.827 1704 A HN 0.241 nan 8.150 nan 0.000 0.443 1705 V N 0.485 120.377 119.914 -0.037 0.000 2.255 1705 V HA -0.313 3.807 4.120 -0.000 0.000 0.247 1705 V C 2.567 178.641 176.094 -0.034 0.000 1.051 1705 V CA 2.498 64.784 62.300 -0.023 0.000 1.018 1705 V CB -0.775 31.058 31.823 0.018 0.000 0.641 1705 V HN 0.712 nan 8.190 nan 0.000 0.445 1706 K N 0.164 120.551 120.400 -0.023 0.000 2.152 1706 K HA -0.182 4.138 4.320 -0.000 0.000 0.206 1706 K C 1.448 178.025 176.600 -0.040 0.000 1.048 1706 K CA 1.764 58.037 56.287 -0.024 0.000 0.933 1706 K CB -0.139 32.353 32.500 -0.013 0.000 0.721 1706 K HN 0.521 nan 8.250 nan 0.000 0.447 1707 N N -0.249 118.417 118.700 -0.057 0.000 2.214 1707 N HA 0.043 4.783 4.740 -0.000 0.000 0.214 1707 N C -0.074 175.375 175.510 -0.101 0.000 1.132 1707 N CA 0.663 53.672 53.050 -0.069 0.000 0.856 1707 N CB 1.225 39.672 38.487 -0.066 0.000 1.020 1707 N HN 0.364 nan 8.380 nan 0.000 0.509 1708 G N 1.780 110.508 108.800 -0.119 0.000 2.323 1708 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.292 1708 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.292 1708 G C -0.125 174.605 174.900 -0.284 0.000 1.040 1708 G CA -0.039 44.950 45.100 -0.186 0.000 0.942 1708 G HN 0.229 nan 8.290 nan 0.000 0.506 1709 I N 0.593 121.011 120.570 -0.255 0.000 2.336 1709 I HA 0.296 4.466 4.170 -0.000 0.000 0.292 1709 I C 1.045 176.953 176.117 -0.347 0.000 0.991 1709 I CA -1.359 59.775 61.300 -0.277 0.000 1.227 1709 I CB 0.703 38.586 38.000 -0.195 0.000 1.366 1709 I HN 0.183 nan 8.210 nan 0.000 0.466 1710 H N 5.657 124.521 119.070 -0.344 0.000 2.852 1710 H HA 0.272 4.828 4.556 0.000 0.000 0.362 1710 H C -0.168 174.814 175.328 -0.576 0.000 1.122 1710 H CA 0.359 56.030 56.048 -0.628 0.000 1.419 1710 H CB 0.696 29.696 29.762 -1.270 0.000 1.401 1710 H HN 0.373 nan 8.280 nan 0.000 0.609 1711 R N 0.956 121.266 120.500 -0.317 0.000 2.561 1711 R HA 0.433 4.773 4.340 -0.000 0.000 0.297 1711 R C -0.921 175.502 176.300 0.205 0.000 0.969 1711 R CA -0.605 55.483 56.100 -0.020 0.000 0.879 1711 R CB 2.261 32.660 30.300 0.165 0.000 1.178 1711 R HN 0.559 nan 8.270 nan 0.000 0.445 1712 T N 1.215 115.953 114.554 0.308 0.000 2.903 1712 T HA 0.710 5.060 4.350 -0.000 0.000 0.299 1712 T C -1.558 173.347 174.700 0.342 0.000 1.093 1712 T CA -0.561 61.755 62.100 0.360 0.000 1.002 1712 T CB 1.497 70.617 68.868 0.420 0.000 1.127 1712 T HN 0.201 nan 8.240 nan 0.000 0.488 1713 V N 3.433 123.511 119.914 0.274 0.000 2.891 1713 V HA 0.387 4.507 4.120 -0.000 0.000 0.304 1713 V C -1.250 175.020 176.094 0.294 0.000 1.171 1713 V CA -0.994 61.465 62.300 0.264 0.000 0.943 1713 V CB 2.142 34.014 31.823 0.082 0.000 1.037 1713 V HN 1.011 nan 8.190 nan 0.000 0.427 1714 H N 2.611 121.795 119.070 0.189 0.000 2.722 1714 H HA 0.789 5.345 4.556 -0.000 0.000 0.328 1714 H C 0.281 175.698 175.328 0.148 0.000 1.067 1714 H CA 0.838 57.037 56.048 0.252 0.000 1.447 1714 H CB 1.228 31.178 29.762 0.313 0.000 1.469 1714 H HN 1.033 nan 8.280 nan 0.000 0.544 1715 A N 1.031 123.999 122.820 0.247 0.000 2.599 1715 A HA 0.532 4.852 4.320 -0.000 0.000 0.294 1715 A C 0.815 178.471 177.584 0.120 0.000 1.055 1715 A CA -0.335 51.786 52.037 0.140 0.000 0.683 1715 A CB 0.574 19.637 19.000 0.106 0.000 1.278 1715 A HN 1.092 nan 8.150 nan 0.000 0.412 1716 G N 0.334 109.183 108.800 0.082 0.000 2.166 1716 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.260 1716 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.260 1716 G C 0.789 175.767 174.900 0.130 0.000 0.986 1716 G CA 1.626 46.790 45.100 0.107 0.000 0.683 1716 G HN 1.314 nan 8.290 nan 0.000 0.527 1717 E N -0.874 119.345 120.200 0.032 0.000 2.005 1717 E HA 0.108 4.458 4.350 -0.000 0.000 0.191 1717 E C 2.267 178.854 176.600 -0.021 0.000 0.987 1717 E CA 1.527 57.915 56.400 -0.020 0.000 0.814 1717 E CB -0.127 29.424 29.700 -0.249 0.000 0.772 1717 E HN 0.458 nan 8.360 nan 0.000 0.453 1718 V N 0.078 119.905 119.914 -0.145 0.000 3.212 1718 V HA 0.252 4.372 4.120 -0.000 0.000 0.244 1718 V C 1.172 177.052 176.094 -0.358 0.000 1.151 1718 V CA 0.719 62.887 62.300 -0.220 0.000 1.119 1718 V CB 0.717 32.479 31.823 -0.101 0.000 0.838 1718 V HN 0.399 nan 8.190 nan 0.000 0.470 1719 G N 0.386 109.037 108.800 -0.248 0.000 2.588 1719 G HA2 0.349 4.309 3.960 -0.000 0.000 0.278 1719 G HA3 0.349 4.309 3.960 -0.000 0.000 0.278 1719 G C 0.266 175.029 174.900 -0.228 0.000 1.307 1719 G CA 0.502 45.484 45.100 -0.197 0.000 1.016 1719 G HN 0.543 nan 8.290 nan 0.000 0.503 1720 S N -0.232 115.415 115.700 -0.089 0.000 2.686 1720 S HA 0.399 4.869 4.470 -0.000 0.000 0.270 1720 S C -1.387 173.243 174.600 0.051 0.000 1.194 1720 S CA -0.723 57.476 58.200 -0.002 0.000 0.990 1720 S CB 2.025 65.230 63.200 0.008 0.000 1.029 1720 S HN 0.391 nan 8.310 nan 0.000 0.560 1721 P HA -0.017 nan 4.420 nan 0.000 0.234 1721 P C 0.852 178.194 177.300 0.070 0.000 1.167 1721 P CA 0.872 64.031 63.100 0.097 0.000 0.763 1721 P CB 0.068 31.828 31.700 0.100 0.000 0.835 1722 E N 0.485 120.712 120.200 0.045 0.000 2.208 1722 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 1722 E C 1.746 178.357 176.600 0.018 0.000 0.988 1722 E CA 0.707 57.124 56.400 0.029 0.000 0.828 1722 E CB -0.890 28.819 29.700 0.016 0.000 0.763 1722 E HN -0.000 nan 8.360 nan 0.000 0.478 1723 V N -0.556 119.367 119.914 0.016 0.000 2.788 1723 V HA -0.110 4.010 4.120 -0.000 0.000 0.251 1723 V C 2.191 178.302 176.094 0.027 0.000 1.068 1723 V CA 1.006 63.307 62.300 0.003 0.000 1.090 1723 V CB -0.003 31.814 31.823 -0.008 0.000 0.710 1723 V HN 0.135 nan 8.190 nan 0.000 0.467 1724 V N 0.460 120.412 119.914 0.063 0.000 2.307 1724 V HA -0.241 3.879 4.120 -0.000 0.000 0.245 1724 V C 2.567 178.706 176.094 0.075 0.000 1.045 1724 V CA 2.368 64.726 62.300 0.097 0.000 1.024 1724 V CB -0.744 31.167 31.823 0.148 0.000 0.651 1724 V HN 0.516 nan 8.190 nan 0.000 0.449 1725 R N 0.531 121.069 120.500 0.065 0.000 2.097 1725 R HA -0.255 4.085 4.340 -0.000 0.000 0.236 1725 R C 2.309 178.624 176.300 0.025 0.000 1.135 1725 R CA 2.495 58.625 56.100 0.050 0.000 0.934 1725 R CB -0.401 29.925 30.300 0.044 0.000 0.846 1725 R HN 0.627 nan 8.270 nan 0.000 0.431 1726 E N -0.017 120.187 120.200 0.007 0.000 2.070 1726 E HA -0.262 4.088 4.350 -0.000 0.000 0.197 1726 E C 2.045 178.622 176.600 -0.037 0.000 1.004 1726 E CA 1.452 57.841 56.400 -0.019 0.000 0.805 1726 E CB -0.279 29.398 29.700 -0.039 0.000 0.744 1726 E HN 0.552 nan 8.360 nan 0.000 0.451 1727 A N 0.940 123.740 122.820 -0.034 0.000 1.873 1727 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 1727 A C 2.552 180.122 177.584 -0.022 0.000 1.193 1727 A CA 1.905 53.912 52.037 -0.051 0.000 0.629 1727 A CB -0.867 18.133 19.000 0.000 0.000 0.826 1727 A HN 0.142 nan 8.150 nan 0.000 0.447 1728 V N 0.313 120.236 119.914 0.015 0.000 2.283 1728 V HA -0.181 3.939 4.120 -0.000 0.000 0.243 1728 V C 2.070 178.178 176.094 0.023 0.000 1.039 1728 V CA 2.149 64.466 62.300 0.027 0.000 1.016 1728 V CB -0.765 31.082 31.823 0.041 0.000 0.650 1728 V HN 0.528 nan 8.190 nan 0.000 0.449 1729 D N -0.383 120.029 120.400 0.020 0.000 2.234 1729 D HA -0.021 4.619 4.640 -0.000 0.000 0.205 1729 D C 1.956 178.264 176.300 0.014 0.000 0.962 1729 D CA 0.990 55.002 54.000 0.020 0.000 0.855 1729 D CB 0.328 41.141 40.800 0.022 0.000 0.951 1729 D HN 0.331 nan 8.370 nan 0.000 0.500 1730 I N 0.169 120.738 120.570 -0.001 0.000 2.681 1730 I HA -0.070 4.100 4.170 -0.000 0.000 0.247 1730 I C 2.037 178.149 176.117 -0.009 0.000 1.091 1730 I CA 0.333 61.630 61.300 -0.004 0.000 1.442 1730 I CB -0.916 37.073 38.000 -0.018 0.000 1.219 1730 I HN -0.061 nan 8.210 nan 0.000 0.451 1731 L N 1.209 122.393 121.223 -0.066 0.000 2.376 1731 L HA 0.030 4.370 4.340 -0.000 0.000 0.219 1731 L C 0.501 177.399 176.870 0.046 0.000 1.133 1731 L CA 0.582 55.352 54.840 -0.118 0.000 0.816 1731 L CB -0.885 40.882 42.059 -0.485 0.000 0.933 1731 L HN 0.268 nan 8.230 nan 0.000 0.449 1732 K N 0.514 120.938 120.400 0.040 0.000 3.239 1732 K HA -0.143 4.177 4.320 -0.000 0.000 0.270 1732 K C 0.242 176.908 176.600 0.111 0.000 1.049 1732 K CA 0.875 57.207 56.287 0.074 0.000 0.769 1732 K CB -2.686 29.863 32.500 0.082 0.000 1.305 1732 K HN 0.527 nan 8.250 nan 0.000 0.469 1733 T N -2.174 112.438 114.554 0.098 0.000 2.899 1733 T HA 0.300 4.650 4.350 -0.000 0.000 0.295 1733 T C 1.374 176.153 174.700 0.130 0.000 1.033 1733 T CA -0.548 61.638 62.100 0.145 0.000 1.084 1733 T CB 1.354 70.301 68.868 0.133 0.000 0.979 1733 T HN 0.267 nan 8.240 nan 0.000 0.532 1734 E N 0.566 120.882 120.200 0.193 0.000 2.415 1734 E HA 0.127 4.477 4.350 -0.000 0.000 0.197 1734 E C 0.501 177.202 176.600 0.169 0.000 1.007 1734 E CA 0.195 56.718 56.400 0.207 0.000 0.890 1734 E CB 0.420 30.322 29.700 0.337 0.000 0.891 1734 E HN 0.508 nan 8.360 nan 0.000 0.496 1735 R N 0.159 120.772 120.500 0.189 0.000 2.739 1735 R HA 0.496 4.836 4.340 -0.000 0.000 0.271 1735 R C -1.378 174.971 176.300 0.083 0.000 1.010 1735 R CA -0.714 55.445 56.100 0.098 0.000 0.897 1735 R CB 2.436 32.821 30.300 0.142 0.000 1.236 1735 R HN -0.179 nan 8.270 nan 0.000 0.466 1736 V N 0.987 120.902 119.914 0.001 0.000 2.409 1736 V HA 0.435 4.555 4.120 -0.000 0.000 0.291 1736 V C 0.374 176.519 176.094 0.086 0.000 1.020 1736 V CA -0.787 61.555 62.300 0.068 0.000 0.848 1736 V CB 1.731 33.614 31.823 0.099 0.000 0.990 1736 V HN 0.933 nan 8.190 nan 0.000 0.430 1737 G N 3.095 111.940 108.800 0.075 0.000 2.354 1737 G HA2 0.449 4.409 3.960 -0.000 0.000 0.266 1737 G HA3 0.449 4.409 3.960 -0.000 0.000 0.266 1737 G C 0.437 175.252 174.900 -0.142 0.000 1.242 1737 G CA 0.466 45.505 45.100 -0.102 0.000 0.923 1737 G HN 0.962 nan 8.290 nan 0.000 0.476 1738 H N 2.166 121.037 119.070 -0.333 0.000 4.126 1738 H HA -0.305 4.251 4.556 -0.000 0.000 0.086 1738 H C 2.207 177.147 175.328 -0.646 0.000 0.618 1738 H CA 2.082 57.714 56.048 -0.693 0.000 1.248 1738 H CB -1.455 27.965 29.762 -0.569 0.000 1.221 1738 H HN 1.927 nan 8.280 nan 0.000 0.857 1739 G N 1.046 109.750 108.800 -0.161 0.000 2.233 1739 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.270 1739 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.270 1739 G C 0.596 175.500 174.900 0.007 0.000 1.011 1739 G CA 1.461 46.600 45.100 0.065 0.000 0.762 1739 G HN 0.579 nan 8.290 nan 0.000 0.511 1740 Y N -0.656 119.760 120.300 0.193 0.000 2.224 1740 Y HA -0.035 4.515 4.550 -0.000 0.000 0.289 1740 Y C 2.502 178.301 175.900 -0.169 0.000 1.146 1740 Y CA 1.658 59.730 58.100 -0.045 0.000 1.182 1740 Y CB -0.694 37.706 38.460 -0.102 0.000 0.983 1740 Y HN 0.514 nan 8.280 nan 0.000 0.524 1741 H N -1.144 117.977 119.070 0.083 0.000 2.556 1741 H HA 0.013 4.569 4.556 -0.000 0.000 0.268 1741 H C 1.837 177.172 175.328 0.011 0.000 0.996 1741 H CA 0.964 57.031 56.048 0.032 0.000 1.157 1741 H CB -0.423 29.363 29.762 0.039 0.000 1.355 1741 H HN 0.224 nan 8.280 nan 0.000 0.597 1742 T N 1.025 115.631 114.554 0.086 0.000 2.759 1742 T HA -0.132 4.218 4.350 -0.000 0.000 0.269 1742 T C 1.898 176.597 174.700 -0.002 0.000 1.042 1742 T CA 1.378 63.532 62.100 0.091 0.000 1.140 1742 T CB -0.265 68.683 68.868 0.133 0.000 0.864 1742 T HN 0.627 nan 8.240 nan 0.000 0.455 1743 I N -0.405 120.038 120.570 -0.211 0.000 3.528 1743 I HA 0.151 4.321 4.170 -0.000 0.000 0.298 1743 I C 1.427 177.468 176.117 -0.127 0.000 1.281 1743 I CA 0.943 62.036 61.300 -0.345 0.000 1.269 1743 I CB -0.393 37.230 38.000 -0.629 0.000 1.013 1743 I HN 0.162 nan 8.210 nan 0.000 0.512 1744 E N 0.670 120.849 120.200 -0.036 0.000 2.452 1744 E HA 0.017 4.367 4.350 -0.000 0.000 0.197 1744 E C 0.048 176.672 176.600 0.040 0.000 1.022 1744 E CA 0.054 56.456 56.400 0.004 0.000 0.890 1744 E CB 0.386 30.109 29.700 0.038 0.000 0.918 1744 E HN 0.418 nan 8.360 nan 0.000 0.496 1745 D N 0.934 121.374 120.400 0.067 0.000 2.438 1745 D HA 0.026 4.666 4.640 -0.000 0.000 0.257 1745 D C 0.725 177.103 176.300 0.129 0.000 1.148 1745 D CA -0.064 53.989 54.000 0.087 0.000 0.902 1745 D CB 0.662 41.517 40.800 0.091 0.000 1.062 1745 D HN -0.134 nan 8.370 nan 0.000 0.518 1746 E N 2.050 122.323 120.200 0.121 0.000 2.086 1746 E HA -0.262 4.088 4.350 -0.000 0.000 0.205 1746 E C 1.753 178.438 176.600 0.142 0.000 1.027 1746 E CA 1.494 57.987 56.400 0.156 0.000 0.830 1746 E CB -0.220 29.544 29.700 0.106 0.000 0.751 1746 E HN 0.619 nan 8.360 nan 0.000 0.456 1747 A N 1.245 124.123 122.820 0.096 0.000 1.892 1747 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 1747 A C 2.297 179.934 177.584 0.087 0.000 1.188 1747 A CA 1.793 53.874 52.037 0.073 0.000 0.631 1747 A CB -0.746 18.288 19.000 0.057 0.000 0.822 1747 A HN 0.252 nan 8.150 nan 0.000 0.447 1748 L N -1.767 119.526 121.223 0.117 0.000 1.994 1748 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 1748 L C 2.322 179.311 176.870 0.198 0.000 1.071 1748 L CA 2.462 57.386 54.840 0.140 0.000 0.745 1748 L CB -1.000 41.147 42.059 0.147 0.000 0.892 1748 L HN 0.517 nan 8.230 nan 0.000 0.431 1749 Y N 0.985 121.335 120.300 0.082 0.000 2.070 1749 Y HA -0.293 4.257 4.550 -0.000 0.000 0.280 1749 Y C 2.351 178.301 175.900 0.082 0.000 1.148 1749 Y CA 2.322 60.474 58.100 0.088 0.000 1.125 1749 Y CB -0.907 37.591 38.460 0.064 0.000 0.975 1749 Y HN 0.434 nan 8.280 nan 0.000 0.492 1750 N N -0.348 118.268 118.700 -0.140 0.000 2.381 1750 N HA -0.133 4.607 4.740 -0.000 0.000 0.182 1750 N C 1.975 177.417 175.510 -0.114 0.000 1.025 1750 N CA 0.944 53.857 53.050 -0.228 0.000 0.888 1750 N CB -0.217 38.205 38.487 -0.109 0.000 0.965 1750 N HN 0.336 nan 8.380 nan 0.000 0.438 1751 R N 0.398 120.880 120.500 -0.029 0.000 2.093 1751 R HA 0.021 4.361 4.340 -0.000 0.000 0.224 1751 R C 1.308 177.611 176.300 0.005 0.000 1.101 1751 R CA 0.792 56.891 56.100 -0.002 0.000 0.979 1751 R CB -0.062 30.255 30.300 0.028 0.000 0.877 1751 R HN 0.102 nan 8.270 nan 0.000 0.441 1752 L N 1.008 122.258 121.223 0.045 0.000 2.109 1752 L HA -0.075 4.265 4.340 -0.000 0.000 0.207 1752 L C 2.200 179.091 176.870 0.035 0.000 1.086 1752 L CA 1.089 55.975 54.840 0.076 0.000 0.760 1752 L CB -0.836 41.363 42.059 0.233 0.000 0.910 1752 L HN 0.215 nan 8.230 nan 0.000 0.437 1753 L N -0.253 120.947 121.223 -0.039 0.000 2.017 1753 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 1753 L C 2.534 179.362 176.870 -0.070 0.000 1.073 1753 L CA 1.747 56.522 54.840 -0.108 0.000 0.745 1753 L CB -0.603 41.229 42.059 -0.379 0.000 0.894 1753 L HN 0.199 nan 8.230 nan 0.000 0.432 1754 K N -0.504 119.852 120.400 -0.074 0.000 2.211 1754 K HA -0.175 4.145 4.320 -0.000 0.000 0.204 1754 K C 1.291 177.877 176.600 -0.024 0.000 1.047 1754 K CA 1.505 57.765 56.287 -0.045 0.000 0.935 1754 K CB 0.043 32.520 32.500 -0.038 0.000 0.728 1754 K HN 0.469 nan 8.250 nan 0.000 0.452 1755 E N 0.134 120.322 120.200 -0.020 0.000 2.444 1755 E HA -0.005 4.345 4.350 -0.000 0.000 0.191 1755 E C -0.404 176.184 176.600 -0.020 0.000 1.041 1755 E CA -0.233 56.158 56.400 -0.014 0.000 0.883 1755 E CB -0.029 29.666 29.700 -0.008 0.000 1.024 1755 E HN 0.302 nan 8.360 nan 0.000 0.470 1756 N N 1.456 120.142 118.700 -0.023 0.000 2.735 1756 N HA -0.210 4.530 4.740 -0.000 0.000 0.248 1756 N C -0.316 175.160 175.510 -0.056 0.000 1.083 1756 N CA -0.156 52.882 53.050 -0.020 0.000 0.703 1756 N CB -0.550 37.935 38.487 -0.003 0.000 1.005 1756 N HN 0.130 nan 8.380 nan 0.000 0.550 1757 M N 1.726 121.249 119.600 -0.129 0.000 2.219 1757 M HA 0.105 4.585 4.480 -0.000 0.000 0.353 1757 M C -0.111 175.901 176.300 -0.480 0.000 1.304 1757 M CA 0.132 55.253 55.300 -0.299 0.000 1.115 1757 M CB 0.332 32.681 32.600 -0.419 0.000 1.664 1757 M HN 0.228 nan 8.290 nan 0.000 0.459 1758 H N 4.461 123.270 119.070 -0.436 0.000 2.604 1758 H HA 0.445 5.001 4.556 -0.000 0.000 0.306 1758 H C -1.678 173.383 175.328 -0.445 0.000 1.075 1758 H CA -0.070 55.778 56.048 -0.333 0.000 1.357 1758 H CB 0.271 29.928 29.762 -0.176 0.000 1.426 1758 H HN 0.634 nan 8.280 nan 0.000 0.470 1759 F N 3.084 122.790 119.950 -0.407 0.000 2.415 1759 F HA 0.221 4.748 4.527 -0.000 0.000 0.348 1759 F C 0.339 176.031 175.800 -0.180 0.000 1.119 1759 F CA -0.786 57.092 58.000 -0.202 0.000 1.069 1759 F CB 1.269 40.156 39.000 -0.189 0.000 1.124 1759 F HN 0.557 nan 8.300 nan 0.000 0.472 1760 E N 2.955 123.211 120.200 0.094 0.000 1.941 1760 E HA 0.294 4.644 4.350 -0.000 0.000 0.275 1760 E C -0.815 175.734 176.600 -0.086 0.000 1.113 1760 E CA -0.406 56.012 56.400 0.030 0.000 0.878 1760 E CB 0.932 30.615 29.700 -0.028 0.000 1.070 1760 E HN 0.289 nan 8.360 nan 0.000 0.399 1761 V N 3.242 123.237 119.914 0.135 0.000 2.465 1761 V HA 0.113 4.233 4.120 -0.000 0.000 0.279 1761 V C -0.078 176.113 176.094 0.162 0.000 1.045 1761 V CA -0.641 61.814 62.300 0.257 0.000 0.938 1761 V CB 1.109 33.120 31.823 0.312 0.000 0.986 1761 V HN 0.818 nan 8.190 nan 0.000 0.467 1762 C N 6.848 126.309 119.300 0.267 0.000 2.647 1762 C HA 0.341 4.801 4.460 -0.000 0.000 0.273 1762 C C -1.245 173.810 174.990 0.108 0.000 1.088 1762 C CA -0.924 58.203 59.018 0.182 0.000 1.529 1762 C CB 0.605 28.480 27.740 0.225 0.000 1.810 1762 C HN 0.671 nan 8.230 nan 0.000 0.422 1763 P HA -0.164 nan 4.420 nan 0.000 0.210 1763 P C 1.825 179.153 177.300 0.047 0.000 1.189 1763 P CA 1.334 64.348 63.100 -0.144 0.000 0.920 1763 P CB 0.015 31.550 31.700 -0.276 0.000 0.782 1764 W N 0.315 121.547 121.300 -0.114 0.000 2.335 1764 W HA -0.217 4.443 4.660 0.000 0.000 0.311 1764 W C 2.468 178.856 176.519 -0.218 0.000 1.213 1764 W CA 1.783 59.084 57.345 -0.073 0.000 1.274 1764 W CB -0.643 28.793 29.460 -0.041 0.000 1.148 1764 W HN -0.017 nan 8.180 nan 0.000 0.498 1765 S N 0.735 116.176 115.700 -0.432 0.000 2.365 1765 S HA -0.275 4.195 4.470 -0.000 0.000 0.225 1765 S C 2.094 176.349 174.600 -0.575 0.000 1.039 1765 S CA 2.814 60.400 58.200 -1.024 0.000 1.033 1765 S CB -0.914 62.017 63.200 -0.448 0.000 0.887 1765 S HN 0.416 nan 8.310 nan 0.000 0.447 1766 S N -0.332 115.254 115.700 -0.191 0.000 2.440 1766 S HA -0.168 4.302 4.470 -0.000 0.000 0.238 1766 S C 1.693 176.277 174.600 -0.026 0.000 1.010 1766 S CA 1.265 59.402 58.200 -0.105 0.000 0.972 1766 S CB -0.840 62.206 63.200 -0.256 0.000 0.774 1766 S HN 0.768 nan 8.310 nan 0.000 0.501 1767 Y N 2.003 122.216 120.300 -0.145 0.000 2.153 1767 Y HA 0.165 4.715 4.550 0.000 0.000 0.289 1767 Y C 1.981 177.699 175.900 -0.303 0.000 1.119 1767 Y CA 0.821 58.866 58.100 -0.091 0.000 1.116 1767 Y CB -0.707 37.713 38.460 -0.066 0.000 1.004 1767 Y HN 0.157 nan 8.280 nan 0.000 0.501 1768 L N 0.639 121.440 121.223 -0.705 0.000 2.127 1768 L HA -0.180 4.160 4.340 -0.000 0.000 0.211 1768 L C 2.503 179.214 176.870 -0.266 0.000 1.089 1768 L CA 2.467 56.968 54.840 -0.565 0.000 0.757 1768 L CB -2.032 39.809 42.059 -0.363 0.000 0.899 1768 L HN 0.586 nan 8.230 nan 0.000 0.434 1769 T N -4.461 109.952 114.554 -0.235 0.000 3.088 1769 T HA 0.245 4.595 4.350 -0.000 0.000 0.259 1769 T C 1.514 176.144 174.700 -0.116 0.000 1.122 1769 T CA 0.594 62.630 62.100 -0.106 0.000 1.095 1769 T CB 0.032 68.820 68.868 -0.133 0.000 0.930 1769 T HN 0.417 nan 8.240 nan 0.000 0.508 1770 G N 0.818 109.505 108.800 -0.187 0.000 2.159 1770 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.256 1770 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.256 1770 G C 1.075 175.924 174.900 -0.085 0.000 0.977 1770 G CA 0.151 45.151 45.100 -0.166 0.000 0.652 1770 G HN 1.029 nan 8.290 nan 0.000 0.531 1771 A N -1.136 121.660 122.820 -0.040 0.000 2.015 1771 A HA 0.314 4.634 4.320 -0.000 0.000 0.219 1771 A C 1.039 178.715 177.584 0.155 0.000 1.163 1771 A CA 1.737 53.819 52.037 0.075 0.000 0.646 1771 A CB -0.135 18.920 19.000 0.092 0.000 0.806 1771 A HN 1.405 nan 8.150 nan 0.000 0.448 1772 W N 1.073 122.247 121.300 -0.210 0.000 2.411 1772 W HA 0.507 5.167 4.660 -0.000 0.000 0.317 1772 W C -1.154 175.239 176.519 -0.209 0.000 1.030 1772 W CA -1.889 55.257 57.345 -0.332 0.000 1.239 1772 W CB 0.775 29.857 29.460 -0.630 0.000 1.304 1772 W HN 0.080 nan 8.180 nan 0.000 0.437 1773 D N 8.649 128.737 120.400 -0.520 0.000 2.363 1773 D HA 0.039 4.679 4.640 -0.000 0.000 0.263 1773 D C -1.067 174.519 176.300 -1.189 0.000 1.258 1773 D CA -1.595 52.053 54.000 -0.587 0.000 0.907 1773 D CB 1.688 42.301 40.800 -0.313 0.000 1.107 1773 D HN 0.283 nan 8.370 nan 0.000 0.495 1774 P HA -0.118 nan 4.420 nan 0.000 0.228 1774 P C 0.458 177.365 177.300 -0.655 0.000 1.151 1774 P CA 0.787 63.022 63.100 -1.442 0.000 0.770 1774 P CB 0.285 31.546 31.700 -0.732 0.000 0.786 1775 K N -0.052 120.090 120.400 -0.429 0.000 2.444 1775 K HA 0.067 4.387 4.320 -0.000 0.000 0.193 1775 K C 1.056 177.577 176.600 -0.130 0.000 1.024 1775 K CA 0.449 56.611 56.287 -0.208 0.000 1.077 1775 K CB -0.011 32.394 32.500 -0.157 0.000 0.833 1775 K HN 0.289 nan 8.250 nan 0.000 0.517 1776 T N -2.205 112.261 114.554 -0.146 0.000 2.918 1776 T HA 0.160 4.510 4.350 -0.000 0.000 0.286 1776 T C 0.083 174.896 174.700 0.189 0.000 1.026 1776 T CA -0.787 61.308 62.100 -0.009 0.000 1.031 1776 T CB 1.922 70.764 68.868 -0.044 0.000 1.046 1776 T HN -0.147 nan 8.240 nan 0.000 0.479 1777 T N 1.752 116.380 114.554 0.123 0.000 2.916 1777 T HA 0.086 4.436 4.350 -0.000 0.000 0.303 1777 T C 0.045 174.818 174.700 0.121 0.000 1.025 1777 T CA -0.211 61.969 62.100 0.134 0.000 1.142 1777 T CB -0.315 68.572 68.868 0.030 0.000 0.947 1777 T HN 0.686 nan 8.240 nan 0.000 0.544 1778 H N 3.738 122.739 119.070 -0.116 0.000 2.886 1778 H HA 0.308 4.864 4.556 -0.000 0.000 0.329 1778 H C 1.327 176.341 175.328 -0.524 0.000 1.044 1778 H CA 0.142 55.855 56.048 -0.559 0.000 1.456 1778 H CB 0.910 30.044 29.762 -1.046 0.000 1.464 1778 H HN 0.835 nan 8.280 nan 0.000 0.573 1779 A N 5.062 127.735 122.820 -0.245 0.000 1.940 1779 A HA -0.212 4.108 4.320 -0.000 0.000 0.221 1779 A C 2.585 179.550 177.584 -1.033 0.000 1.190 1779 A CA 1.934 53.606 52.037 -0.608 0.000 0.647 1779 A CB -0.955 17.652 19.000 -0.654 0.000 0.821 1779 A HN 0.595 nan 8.150 nan 0.000 0.457 1780 V N -0.320 119.036 119.914 -0.930 0.000 2.568 1780 V HA -0.212 3.908 4.120 -0.000 0.000 0.253 1780 V C 2.374 178.177 176.094 -0.486 0.000 1.072 1780 V CA 2.252 64.008 62.300 -0.907 0.000 1.084 1780 V CB -0.402 30.943 31.823 -0.796 0.000 0.676 1780 V HN 0.372 nan 8.190 nan 0.000 0.469 1781 V N 0.277 119.991 119.914 -0.332 0.000 2.307 1781 V HA -0.228 3.892 4.120 -0.000 0.000 0.245 1781 V C 2.586 178.586 176.094 -0.157 0.000 1.045 1781 V CA 2.441 64.648 62.300 -0.155 0.000 1.024 1781 V CB -0.835 30.928 31.823 -0.100 0.000 0.651 1781 V HN 0.605 nan 8.190 nan 0.000 0.449 1782 R N -0.018 120.366 120.500 -0.193 0.000 2.081 1782 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 1782 R C 2.051 178.433 176.300 0.136 0.000 1.131 1782 R CA 1.861 57.929 56.100 -0.054 0.000 0.960 1782 R CB -0.619 29.602 30.300 -0.131 0.000 0.856 1782 R HN 0.376 nan 8.270 nan 0.000 0.436 1783 F N 1.244 121.095 119.950 -0.164 0.000 2.095 1783 F HA -0.120 4.407 4.527 -0.000 0.000 0.298 1783 F C 2.189 177.938 175.800 -0.085 0.000 1.104 1783 F CA 1.597 59.510 58.000 -0.145 0.000 1.232 1783 F CB -1.165 37.560 39.000 -0.459 0.000 0.987 1783 F HN 0.180 nan 8.300 nan 0.000 0.475 1784 K N 0.410 120.805 120.400 -0.008 0.000 2.002 1784 K HA -0.197 4.123 4.320 -0.000 0.000 0.209 1784 K C 1.867 178.440 176.600 -0.044 0.000 1.048 1784 K CA 1.753 58.005 56.287 -0.058 0.000 0.930 1784 K CB -0.157 32.099 32.500 -0.407 0.000 0.714 1784 K HN 0.063 nan 8.250 nan 0.000 0.438 1785 N N 1.446 120.116 118.700 -0.049 0.000 2.149 1785 N HA -0.137 4.603 4.740 -0.000 0.000 0.188 1785 N C 0.662 176.183 175.510 0.019 0.000 1.019 1785 N CA 1.381 54.414 53.050 -0.027 0.000 0.857 1785 N CB -0.293 38.183 38.487 -0.019 0.000 0.997 1785 N HN 0.320 nan 8.380 nan 0.000 0.426 1786 D N 1.018 121.463 120.400 0.074 0.000 2.319 1786 D HA 0.013 4.653 4.640 -0.000 0.000 0.230 1786 D C 0.005 176.341 176.300 0.059 0.000 1.094 1786 D CA 0.119 54.163 54.000 0.072 0.000 0.856 1786 D CB 0.104 40.975 40.800 0.118 0.000 0.915 1786 D HN -0.020 nan 8.370 nan 0.000 0.517 1787 K N 0.001 120.439 120.400 0.064 0.000 3.257 1787 K HA -0.179 4.141 4.320 -0.000 0.000 0.270 1787 K C -0.020 176.636 176.600 0.093 0.000 0.984 1787 K CA 0.387 56.712 56.287 0.064 0.000 0.739 1787 K CB -2.275 30.240 32.500 0.024 0.000 1.351 1787 K HN 0.281 nan 8.250 nan 0.000 0.463 1788 A N 1.056 123.977 122.820 0.169 0.000 2.322 1788 A HA 0.260 4.580 4.320 -0.000 0.000 0.269 1788 A C 0.639 178.357 177.584 0.223 0.000 1.094 1788 A CA -0.329 51.809 52.037 0.168 0.000 0.807 1788 A CB 0.331 19.394 19.000 0.105 0.000 1.047 1788 A HN 0.453 nan 8.150 nan 0.000 0.487 1789 N N 1.113 119.893 118.700 0.133 0.000 2.555 1789 N HA 0.366 5.106 4.740 -0.000 0.000 0.244 1789 N C -1.114 174.363 175.510 -0.055 0.000 1.114 1789 N CA -0.124 52.959 53.050 0.056 0.000 0.963 1789 N CB 0.064 38.580 38.487 0.048 0.000 1.276 1789 N HN 0.613 nan 8.380 nan 0.000 0.510 1790 Y N 0.426 120.622 120.300 -0.173 0.000 2.698 1790 Y HA 0.702 5.252 4.550 -0.000 0.000 0.332 1790 Y C -0.890 174.926 175.900 -0.141 0.000 1.119 1790 Y CA -1.186 56.729 58.100 -0.309 0.000 1.109 1790 Y CB 0.769 39.270 38.460 0.067 0.000 1.308 1790 Y HN 0.168 nan 8.280 nan 0.000 0.499 1791 S N 0.865 116.591 115.700 0.044 0.000 2.588 1791 S HA 0.674 5.144 4.470 -0.000 0.000 0.275 1791 S C -1.943 172.803 174.600 0.243 0.000 1.130 1791 S CA -0.814 57.468 58.200 0.136 0.000 0.855 1791 S CB 1.908 65.305 63.200 0.329 0.000 1.116 1791 S HN 0.656 nan 8.310 nan 0.000 0.472 1792 L N 2.508 123.833 121.223 0.169 0.000 2.275 1792 L HA 0.581 4.921 4.340 -0.000 0.000 0.288 1792 L C -0.414 176.561 176.870 0.174 0.000 1.046 1792 L CA 0.077 54.978 54.840 0.102 0.000 0.805 1792 L CB 0.439 42.377 42.059 -0.202 0.000 1.193 1792 L HN 0.871 nan 8.230 nan 0.000 0.426 1793 N N 0.646 119.445 118.700 0.164 0.000 2.405 1793 N HA 0.418 5.158 4.740 -0.000 0.000 0.285 1793 N C 0.353 176.009 175.510 0.243 0.000 1.262 1793 N CA -0.606 52.578 53.050 0.222 0.000 0.773 1793 N CB 1.729 40.358 38.487 0.236 0.000 1.490 1793 N HN 0.453 nan 8.380 nan 0.000 0.486 1794 T N -0.843 113.890 114.554 0.300 0.000 3.009 1794 T HA -0.013 4.337 4.350 -0.000 0.000 0.258 1794 T C 0.500 175.466 174.700 0.442 0.000 1.063 1794 T CA 1.135 63.440 62.100 0.342 0.000 1.139 1794 T CB -0.384 68.676 68.868 0.320 0.000 0.890 1794 T HN 0.696 nan 8.240 nan 0.000 0.471 1795 D N 0.793 121.489 120.400 0.494 0.000 4.365 1795 D HA -0.158 4.482 4.640 -0.000 0.000 0.198 1795 D C -0.651 176.027 176.300 0.629 0.000 0.997 1795 D CA 2.225 56.602 54.000 0.627 0.000 2.182 1795 D CB -1.215 39.946 40.800 0.601 0.000 1.147 1795 D HN 0.564 nan 8.370 nan 0.000 0.409 1796 D N -0.327 120.472 120.400 0.665 0.000 2.364 1796 D HA 0.327 4.967 4.640 -0.000 0.000 0.251 1796 D C -2.137 174.422 176.300 0.431 0.000 1.282 1796 D CA -0.947 53.340 54.000 0.478 0.000 0.927 1796 D CB 1.898 42.893 40.800 0.325 0.000 1.267 1796 D HN 0.083 nan 8.370 nan 0.000 0.531 1797 P HA -0.170 nan 4.420 nan 0.000 0.216 1797 P C 1.505 178.933 177.300 0.212 0.000 1.150 1797 P CA 0.282 63.576 63.100 0.323 0.000 0.837 1797 P CB 0.407 32.254 31.700 0.244 0.000 0.786 1798 L N -0.384 120.905 121.223 0.110 0.000 1.970 1798 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 1798 L C 2.185 179.038 176.870 -0.028 0.000 1.071 1798 L CA 1.984 56.821 54.840 -0.006 0.000 0.751 1798 L CB -1.274 40.704 42.059 -0.135 0.000 0.889 1798 L HN -0.146 nan 8.230 nan 0.000 0.432 1799 I N -1.355 119.144 120.570 -0.118 0.000 2.439 1799 I HA -0.221 3.949 4.170 -0.000 0.000 0.251 1799 I C 1.383 177.440 176.117 -0.099 0.000 1.139 1799 I CA 0.839 62.026 61.300 -0.189 0.000 1.438 1799 I CB -0.248 37.542 38.000 -0.350 0.000 1.085 1799 I HN 0.169 nan 8.210 nan 0.000 0.427 1800 F N 1.284 121.400 119.950 0.277 0.000 2.765 1800 F HA 0.175 4.702 4.527 -0.000 0.000 0.302 1800 F C 0.755 176.815 175.800 0.434 0.000 1.111 1800 F CA -0.646 57.560 58.000 0.344 0.000 1.359 1800 F CB -0.701 38.519 39.000 0.367 0.000 1.097 1800 F HN -0.106 nan 8.300 nan 0.000 0.577 1801 K N 1.757 122.388 120.400 0.384 0.000 4.040 1801 K HA -0.185 4.135 4.320 -0.000 0.000 0.279 1801 K C 0.054 176.814 176.600 0.267 0.000 0.890 1801 K CA 0.738 57.187 56.287 0.270 0.000 0.782 1801 K CB -1.927 30.718 32.500 0.241 0.000 1.613 1801 K HN 0.464 nan 8.250 nan 0.000 0.440 1802 S N -1.652 114.198 115.700 0.250 0.000 2.688 1802 S HA 0.723 5.193 4.470 -0.000 0.000 0.275 1802 S C -0.286 174.389 174.600 0.125 0.000 1.175 1802 S CA -0.297 57.997 58.200 0.156 0.000 0.818 1802 S CB 2.594 65.926 63.200 0.221 0.000 1.157 1802 S HN 0.372 nan 8.310 nan 0.000 0.482 1803 T N -1.676 112.918 114.554 0.067 0.000 2.804 1803 T HA 0.614 4.964 4.350 -0.000 0.000 0.290 1803 T C 0.450 175.191 174.700 0.067 0.000 1.099 1803 T CA -0.743 61.387 62.100 0.050 0.000 1.011 1803 T CB 0.781 69.643 68.868 -0.010 0.000 1.291 1803 T HN 0.525 nan 8.240 nan 0.000 0.523 1804 L N 0.740 121.998 121.223 0.058 0.000 2.353 1804 L HA 0.090 4.429 4.340 -0.000 0.000 0.220 1804 L C 1.823 178.752 176.870 0.097 0.000 1.133 1804 L CA 1.720 56.624 54.840 0.107 0.000 0.798 1804 L CB -1.136 40.957 42.059 0.056 0.000 0.922 1804 L HN 0.889 nan 8.230 nan 0.000 0.445 1805 D N -2.016 118.379 120.400 -0.008 0.000 2.269 1805 D HA -0.133 4.507 4.640 -0.000 0.000 0.208 1805 D C 1.905 178.198 176.300 -0.011 0.000 0.963 1805 D CA 1.168 55.149 54.000 -0.032 0.000 0.864 1805 D CB 0.304 41.056 40.800 -0.079 0.000 0.936 1805 D HN 0.308 nan 8.370 nan 0.000 0.505 1806 T N -0.100 114.427 114.554 -0.044 0.000 2.684 1806 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 1806 T C 1.216 175.851 174.700 -0.107 0.000 1.036 1806 T CA 1.782 63.785 62.100 -0.162 0.000 1.148 1806 T CB -0.465 68.246 68.868 -0.263 0.000 0.863 1806 T HN 0.253 nan 8.240 nan 0.000 0.436 1807 D N 0.044 120.454 120.400 0.016 0.000 2.117 1807 D HA -0.048 4.592 4.640 -0.000 0.000 0.198 1807 D C 1.747 177.979 176.300 -0.114 0.000 0.982 1807 D CA 0.873 54.861 54.000 -0.020 0.000 0.828 1807 D CB -0.306 40.515 40.800 0.034 0.000 0.967 1807 D HN 0.384 nan 8.370 nan 0.000 0.464 1808 Y N 1.147 121.351 120.300 -0.159 0.000 2.181 1808 Y HA -0.128 4.422 4.550 -0.000 0.000 0.288 1808 Y C 2.452 178.277 175.900 -0.125 0.000 1.146 1808 Y CA 0.868 58.820 58.100 -0.246 0.000 1.164 1808 Y CB -0.174 38.017 38.460 -0.450 0.000 0.982 1808 Y HN -0.045 nan 8.280 nan 0.000 0.515 1809 Q N -0.560 119.252 119.800 0.021 0.000 2.172 1809 Q HA -0.182 4.158 4.340 -0.000 0.000 0.200 1809 Q C 2.423 178.392 176.000 -0.052 0.000 0.964 1809 Q CA 1.207 57.008 55.803 -0.004 0.000 0.855 1809 Q CB -0.433 28.275 28.738 -0.050 0.000 0.918 1809 Q HN 0.578 nan 8.270 nan 0.000 0.444 1810 M N 0.712 120.244 119.600 -0.113 0.000 2.067 1810 M HA -0.180 4.300 4.480 -0.000 0.000 0.260 1810 M C 2.143 178.320 176.300 -0.206 0.000 1.069 1810 M CA 2.184 57.396 55.300 -0.147 0.000 1.117 1810 M CB -0.191 32.322 32.600 -0.144 0.000 1.334 1810 M HN 0.285 nan 8.290 nan 0.000 0.407 1811 T N -1.709 112.642 114.554 -0.338 0.000 2.915 1811 T HA -0.138 4.212 4.350 -0.000 0.000 0.269 1811 T C 1.763 176.291 174.700 -0.287 0.000 1.071 1811 T CA 1.418 63.126 62.100 -0.653 0.000 1.132 1811 T CB -0.351 67.712 68.868 -1.342 0.000 0.878 1811 T HN 0.458 nan 8.240 nan 0.000 0.479 1812 K N 1.357 121.761 120.400 0.006 0.000 1.980 1812 K HA -0.058 4.262 4.320 -0.000 0.000 0.208 1812 K C 2.365 179.009 176.600 0.074 0.000 1.043 1812 K CA 0.994 57.377 56.287 0.160 0.000 0.938 1812 K CB -0.118 32.552 32.500 0.282 0.000 0.724 1812 K HN 0.285 nan 8.250 nan 0.000 0.438 1813 K N 0.724 121.144 120.400 0.035 0.000 1.987 1813 K HA -0.127 4.193 4.320 -0.000 0.000 0.216 1813 K C 0.522 177.130 176.600 0.012 0.000 1.051 1813 K CA 1.723 58.020 56.287 0.017 0.000 0.942 1813 K CB -0.267 32.230 32.500 -0.005 0.000 0.722 1813 K HN 0.376 nan 8.250 nan 0.000 0.444 1814 D N -0.650 119.745 120.400 -0.007 0.000 2.387 1814 D HA 0.193 4.833 4.640 -0.000 0.000 0.255 1814 D C 0.848 177.142 176.300 -0.010 0.000 1.081 1814 D CA -0.267 53.734 54.000 0.000 0.000 0.994 1814 D CB 1.513 42.316 40.800 0.005 0.000 1.127 1814 D HN 0.087 nan 8.370 nan 0.000 0.513 1815 M N -0.718 118.892 119.600 0.017 0.000 2.891 1815 M HA -0.235 4.245 4.480 -0.000 0.000 0.178 1815 M C 0.962 177.393 176.300 0.217 0.000 0.649 1815 M CA 1.055 56.400 55.300 0.075 0.000 0.675 1815 M CB -1.676 30.892 32.600 -0.054 0.000 2.440 1815 M HN 0.815 nan 8.290 nan 0.000 0.288 1816 G N 1.205 110.088 108.800 0.138 0.000 2.412 1816 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.297 1816 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.297 1816 G C -0.279 174.697 174.900 0.126 0.000 0.965 1816 G CA 0.377 45.543 45.100 0.110 0.000 1.134 1816 G HN 0.425 nan 8.290 nan 0.000 0.511 1817 F N 0.607 120.439 119.950 -0.196 0.000 2.389 1817 F HA 0.593 5.120 4.527 -0.000 0.000 0.337 1817 F C 1.358 176.863 175.800 -0.491 0.000 1.112 1817 F CA -0.265 57.486 58.000 -0.416 0.000 1.192 1817 F CB 1.296 39.932 39.000 -0.607 0.000 1.185 1817 F HN 0.306 nan 8.300 nan 0.000 0.552 1818 T N -1.856 112.409 114.554 -0.481 0.000 2.940 1818 T HA 0.292 4.642 4.350 -0.000 0.000 0.288 1818 T C 0.843 175.278 174.700 -0.442 0.000 1.045 1818 T CA -0.733 61.171 62.100 -0.326 0.000 1.018 1818 T CB 1.615 70.369 68.868 -0.190 0.000 1.151 1818 T HN 0.708 nan 8.240 nan 0.000 0.529 1819 E N 0.192 120.354 120.200 -0.063 0.000 2.118 1819 E HA -0.254 4.096 4.350 -0.000 0.000 0.195 1819 E C 1.769 178.332 176.600 -0.062 0.000 0.992 1819 E CA 1.552 58.026 56.400 0.123 0.000 0.804 1819 E CB -0.055 29.779 29.700 0.224 0.000 0.741 1819 E HN 0.843 nan 8.360 nan 0.000 0.458 1820 E N 0.143 120.280 120.200 -0.104 0.000 2.085 1820 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 1820 E C 1.953 178.447 176.600 -0.177 0.000 0.994 1820 E CA 1.566 57.899 56.400 -0.112 0.000 0.801 1820 E CB -0.000 29.642 29.700 -0.097 0.000 0.743 1820 E HN 0.144 nan 8.360 nan 0.000 0.453 1821 E N -0.215 119.808 120.200 -0.294 0.000 2.046 1821 E HA -0.133 4.217 4.350 -0.000 0.000 0.190 1821 E C 1.684 178.103 176.600 -0.302 0.000 0.982 1821 E CA 1.126 57.317 56.400 -0.348 0.000 0.800 1821 E CB -0.359 29.016 29.700 -0.542 0.000 0.756 1821 E HN 0.249 nan 8.360 nan 0.000 0.449 1822 F N 1.243 121.006 119.950 -0.312 0.000 2.126 1822 F HA -0.095 4.432 4.527 -0.000 0.000 0.299 1822 F C 2.155 177.613 175.800 -0.569 0.000 1.096 1822 F CA 1.241 58.889 58.000 -0.587 0.000 1.255 1822 F CB -0.553 37.662 39.000 -1.308 0.000 0.997 1822 F HN 0.036 nan 8.300 nan 0.000 0.479 1823 K N -0.255 119.973 120.400 -0.286 0.000 2.026 1823 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 1823 K C 2.340 178.973 176.600 0.055 0.000 1.048 1823 K CA 1.202 57.414 56.287 -0.125 0.000 0.929 1823 K CB -0.228 32.127 32.500 -0.242 0.000 0.713 1823 K HN 0.109 nan 8.250 nan 0.000 0.439 1824 R N 1.576 122.053 120.500 -0.038 0.000 2.070 1824 R HA -0.118 4.222 4.340 -0.000 0.000 0.233 1824 R C 2.338 178.612 176.300 -0.043 0.000 1.137 1824 R CA 1.493 57.577 56.100 -0.027 0.000 0.945 1824 R CB -0.312 29.948 30.300 -0.067 0.000 0.845 1824 R HN 0.232 nan 8.270 nan 0.000 0.430 1825 L N -0.861 120.286 121.223 -0.126 0.000 2.275 1825 L HA -0.044 4.296 4.340 -0.000 0.000 0.215 1825 L C 0.825 177.676 176.870 -0.032 0.000 1.119 1825 L CA 1.854 56.562 54.840 -0.220 0.000 0.790 1825 L CB -1.169 40.537 42.059 -0.589 0.000 0.919 1825 L HN 0.147 nan 8.230 nan 0.000 0.443 1826 N N 0.634 119.387 118.700 0.089 0.000 2.300 1826 N HA 0.072 4.812 4.740 -0.000 0.000 0.179 1826 N C 2.004 177.601 175.510 0.146 0.000 1.016 1826 N CA 0.933 54.099 53.050 0.194 0.000 0.876 1826 N CB 0.006 38.721 38.487 0.379 0.000 0.979 1826 N HN 0.316 nan 8.380 nan 0.000 0.432 1827 I N 0.494 121.141 120.570 0.127 0.000 2.439 1827 I HA -0.173 3.997 4.170 -0.000 0.000 0.251 1827 I C 1.776 177.931 176.117 0.062 0.000 1.139 1827 I CA 0.605 61.951 61.300 0.076 0.000 1.438 1827 I CB -0.106 37.936 38.000 0.070 0.000 1.085 1827 I HN 0.192 nan 8.210 nan 0.000 0.427 1828 N N 1.163 119.895 118.700 0.053 0.000 2.084 1828 N HA -0.127 4.613 4.740 -0.000 0.000 0.190 1828 N C 1.919 177.465 175.510 0.061 0.000 1.030 1828 N CA 1.659 54.742 53.050 0.054 0.000 0.849 1828 N CB -0.248 38.253 38.487 0.024 0.000 1.012 1828 N HN 0.330 nan 8.380 nan 0.000 0.423 1829 A N 0.647 123.518 122.820 0.085 0.000 1.933 1829 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 1829 A C 2.328 179.874 177.584 -0.063 0.000 1.175 1829 A CA 1.976 54.031 52.037 0.030 0.000 0.628 1829 A CB -0.766 18.309 19.000 0.125 0.000 0.814 1829 A HN 0.344 nan 8.150 nan 0.000 0.444 1830 A N -0.248 122.567 122.820 -0.008 0.000 1.873 1830 A HA -0.127 4.193 4.320 -0.000 0.000 0.215 1830 A C 2.117 179.644 177.584 -0.094 0.000 1.186 1830 A CA 1.722 53.731 52.037 -0.046 0.000 0.616 1830 A CB -0.430 18.554 19.000 -0.026 0.000 0.823 1830 A HN 0.512 nan 8.150 nan 0.000 0.442 1831 K N 0.085 120.451 120.400 -0.057 0.000 2.063 1831 K HA -0.080 4.240 4.320 -0.000 0.000 0.208 1831 K C 2.001 178.533 176.600 -0.114 0.000 1.048 1831 K CA 1.618 57.871 56.287 -0.057 0.000 0.928 1831 K CB -0.165 32.329 32.500 -0.010 0.000 0.713 1831 K HN 0.433 nan 8.250 nan 0.000 0.442 1832 S N 1.054 116.639 115.700 -0.191 0.000 2.562 1832 S HA -0.027 4.443 4.470 -0.000 0.000 0.221 1832 S C 0.793 175.095 174.600 -0.497 0.000 0.975 1832 S CA 0.086 58.083 58.200 -0.338 0.000 0.918 1832 S CB -0.078 62.776 63.200 -0.575 0.000 0.772 1832 S HN 0.385 nan 8.310 nan 0.000 0.531 1833 S N 1.171 116.644 115.700 -0.379 0.000 2.580 1833 S HA 0.138 4.608 4.470 -0.000 0.000 0.261 1833 S C 0.089 174.457 174.600 -0.387 0.000 1.366 1833 S CA -0.154 57.824 58.200 -0.369 0.000 0.996 1833 S CB -0.092 63.024 63.200 -0.140 0.000 0.902 1833 S HN 0.193 nan 8.310 nan 0.000 0.566 1834 F N 0.119 119.976 119.950 -0.156 0.000 2.730 1834 F HA 0.455 4.982 4.527 0.000 0.000 0.295 1834 F C 0.263 175.959 175.800 -0.174 0.000 1.143 1834 F CA -1.085 56.682 58.000 -0.389 0.000 1.367 1834 F CB -0.793 38.001 39.000 -0.344 0.000 0.970 1834 F HN 0.300 nan 8.300 nan 0.000 0.514 1835 L N 1.287 122.520 121.223 0.017 0.000 2.439 1835 L HA 0.407 4.747 4.340 -0.000 0.000 0.261 1835 L C -2.028 174.859 176.870 0.028 0.000 1.153 1835 L CA -2.200 52.636 54.840 -0.005 0.000 0.808 1835 L CB 0.204 42.137 42.059 -0.211 0.000 1.126 1835 L HN -0.118 nan 8.230 nan 0.000 0.460 1836 P HA 0.152 nan 4.420 nan 0.000 0.276 1836 P C 0.216 177.523 177.300 0.011 0.000 1.244 1836 P CA -0.404 62.728 63.100 0.054 0.000 0.801 1836 P CB 0.542 32.272 31.700 0.050 0.000 1.006 1837 E N 1.293 121.504 120.200 0.018 0.000 2.114 1837 E HA -0.236 4.114 4.350 -0.000 0.000 0.199 1837 E C 1.436 178.027 176.600 -0.015 0.000 1.008 1837 E CA 1.822 58.222 56.400 -0.000 0.000 0.810 1837 E CB -0.318 29.387 29.700 0.008 0.000 0.739 1837 E HN 0.541 nan 8.360 nan 0.000 0.456 1838 E N 0.880 121.074 120.200 -0.009 0.000 2.051 1838 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 1838 E C 2.023 178.607 176.600 -0.027 0.000 0.991 1838 E CA 1.227 57.619 56.400 -0.014 0.000 0.799 1838 E CB -0.285 29.412 29.700 -0.005 0.000 0.748 1838 E HN 0.390 nan 8.360 nan 0.000 0.449 1839 E N 0.648 120.827 120.200 -0.034 0.000 2.204 1839 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 1839 E C 1.937 178.472 176.600 -0.109 0.000 0.989 1839 E CA 0.757 57.121 56.400 -0.060 0.000 0.824 1839 E CB -0.053 29.613 29.700 -0.057 0.000 0.756 1839 E HN 0.139 nan 8.360 nan 0.000 0.477 1840 K N 1.088 121.425 120.400 -0.105 0.000 2.155 1840 K HA -0.121 4.199 4.320 -0.000 0.000 0.203 1840 K C 1.769 178.321 176.600 -0.081 0.000 1.052 1840 K CA 0.820 57.031 56.287 -0.127 0.000 0.948 1840 K CB 0.282 32.723 32.500 -0.098 0.000 0.728 1840 K HN -0.143 nan 8.250 nan 0.000 0.448 1841 K N 1.277 121.645 120.400 -0.054 0.000 2.057 1841 K HA -0.116 4.204 4.320 -0.000 0.000 0.206 1841 K C 1.889 178.468 176.600 -0.035 0.000 1.050 1841 K CA 1.437 57.702 56.287 -0.037 0.000 0.935 1841 K CB -0.250 32.233 32.500 -0.030 0.000 0.715 1841 K HN 0.354 nan 8.250 nan 0.000 0.439 1842 E N 0.991 121.166 120.200 -0.042 0.000 2.118 1842 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 1842 E C 2.110 178.685 176.600 -0.043 0.000 0.992 1842 E CA 0.658 57.036 56.400 -0.036 0.000 0.804 1842 E CB -0.126 29.553 29.700 -0.036 0.000 0.741 1842 E HN 0.165 nan 8.360 nan 0.000 0.458 1843 L N 0.567 121.745 121.223 -0.074 0.000 2.027 1843 L HA -0.181 4.159 4.340 -0.000 0.000 0.206 1843 L C 2.370 179.209 176.870 -0.051 0.000 1.074 1843 L CA 1.010 55.798 54.840 -0.086 0.000 0.745 1843 L CB -0.112 41.846 42.059 -0.167 0.000 0.898 1843 L HN 0.194 nan 8.230 nan 0.000 0.433 1844 L N -0.391 120.821 121.223 -0.017 0.000 2.083 1844 L HA -0.241 4.099 4.340 -0.000 0.000 0.209 1844 L C 2.490 179.436 176.870 0.127 0.000 1.083 1844 L CA 1.283 56.168 54.840 0.076 0.000 0.752 1844 L CB -0.399 41.717 42.059 0.095 0.000 0.899 1844 L HN 0.291 nan 8.230 nan 0.000 0.433 1845 E N -0.456 119.772 120.200 0.046 0.000 2.077 1845 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 1845 E C 2.305 178.926 176.600 0.035 0.000 0.989 1845 E CA 0.928 57.354 56.400 0.044 0.000 0.800 1845 E CB -0.115 29.588 29.700 0.006 0.000 0.746 1845 E HN 0.332 nan 8.360 nan 0.000 0.452 1846 R N 0.882 121.374 120.500 -0.013 0.000 2.075 1846 R HA -0.106 4.234 4.340 -0.000 0.000 0.232 1846 R C 2.425 178.650 176.300 -0.125 0.000 1.126 1846 R CA 0.809 56.882 56.100 -0.046 0.000 0.963 1846 R CB -0.178 30.094 30.300 -0.047 0.000 0.858 1846 R HN 0.165 nan 8.270 nan 0.000 0.435 1847 L N -0.484 120.609 121.223 -0.217 0.000 1.994 1847 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 1847 L C 2.376 178.899 176.870 -0.578 0.000 1.071 1847 L CA 1.581 56.065 54.840 -0.592 0.000 0.745 1847 L CB -0.776 40.915 42.059 -0.613 0.000 0.892 1847 L HN 0.206 nan 8.230 nan 0.000 0.431 1848 Y N 0.017 120.188 120.300 -0.215 0.000 2.207 1848 Y HA -0.282 4.268 4.550 -0.000 0.000 0.287 1848 Y C 2.916 178.817 175.900 0.002 0.000 1.156 1848 Y CA 1.708 59.781 58.100 -0.045 0.000 1.182 1848 Y CB -0.313 38.138 38.460 -0.015 0.000 0.979 1848 Y HN 0.094 nan 8.280 nan 0.000 0.521 1849 R N 0.689 121.248 120.500 0.098 0.000 2.062 1849 R HA -0.163 4.177 4.340 -0.000 0.000 0.231 1849 R C 1.675 178.009 176.300 0.056 0.000 1.136 1849 R CA 1.957 58.100 56.100 0.071 0.000 0.948 1849 R CB -0.281 30.041 30.300 0.036 0.000 0.845 1849 R HN 0.361 nan 8.270 nan 0.000 0.430 1850 E N -0.735 119.470 120.200 0.009 0.000 2.511 1850 E HA -0.129 4.221 4.350 -0.000 0.000 0.196 1850 E C 0.649 177.370 176.600 0.202 0.000 1.066 1850 E CA 0.262 56.691 56.400 0.048 0.000 0.871 1850 E CB 0.241 29.939 29.700 -0.004 0.000 0.863 1850 E HN 0.424 nan 8.360 nan 0.000 0.520 1851 Y N 0.610 120.899 120.300 -0.017 0.000 2.458 1851 Y HA 0.140 4.690 4.550 -0.000 0.000 0.256 1851 Y C 1.185 177.088 175.900 0.005 0.000 1.159 1851 Y CA -0.030 58.058 58.100 -0.020 0.000 1.261 1851 Y CB 0.166 38.584 38.460 -0.070 0.000 1.119 1851 Y HN -0.054 nan 8.280 nan 0.000 0.524 1852 Q N 0.000 119.903 119.800 0.172 0.000 2.315 1852 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 1852 Q CA 0.000 55.875 55.803 0.119 0.000 1.022 1852 Q CB 0.000 28.803 28.738 0.108 0.000 1.108 1852 Q HN 0.000 nan 8.270 nan 0.000 0.481