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 2i14_1_D DATA FIRST_RESID 1401 DATA SEQUENCE MKRFYIANED EIKAGKTTDV YFLRTKKILE VKNIRKKVLA DVTTTSLPNN DATA SEQUENCE WRWGVLVGVE EVAKLLEGIP VNVYAMPEGT IFHPYEPVLQ IEGDYADFGI DATA SEQUENCE YETALLGMLS QASGIATAAL RIKIAAKFKP VYSFGIRHMH PAIAPMIDRA DATA SEQUENCE AFIGGCDGVS GVLGAEMMGE KAVGTMPHAL IITVGDQVKA WKYFDEVIEE DATA SEQUENCE EVPRIALVDT FYDEKVEAVM AAEALGKKLF AVRLDTPSSR RGNFRKIIEE DATA SEQUENCE VRWELKVRGY DWVKIFVSGG LDEEKIKEIV DVVDAFGVGG AIASAKPVDF DATA SEQUENCE ALDIVEVEGK PIAKRGKLSG RKQVYRCENG HYHVVPANKK LERCPVCNAK DATA SEQUENCE VEPLLKPIIE NGEIVVEFPK AREIREYVLE QAKKFNLEI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1401 M HA 0.000 nan 4.480 nan 0.000 0.227 1401 M C 0.000 176.235 176.300 -0.108 0.000 1.140 1401 M CA 0.000 55.252 55.300 -0.081 0.000 0.988 1401 M CB 0.000 32.559 32.600 -0.069 0.000 1.302 1402 K N 2.358 122.682 120.400 -0.128 0.000 2.227 1402 K HA 0.342 4.662 4.320 -0.000 0.000 0.280 1402 K C 0.971 177.434 176.600 -0.227 0.000 1.041 1402 K CA -0.161 56.034 56.287 -0.153 0.000 0.905 1402 K CB 1.049 33.475 32.500 -0.123 0.000 1.068 1402 K HN 0.427 nan 8.250 nan 0.000 0.470 1403 R N 3.521 123.828 120.500 -0.322 0.000 2.300 1403 R HA 0.121 4.461 4.340 -0.000 0.000 0.199 1403 R C -0.369 175.688 176.300 -0.406 0.000 0.920 1403 R CA 0.195 56.023 56.100 -0.454 0.000 1.046 1403 R CB 0.101 29.993 30.300 -0.680 0.000 0.984 1403 R HN 0.301 nan 8.270 nan 0.000 0.493 1404 F N 0.168 120.099 119.950 -0.032 0.000 2.556 1404 F HA 0.329 4.856 4.527 -0.000 0.000 0.314 1404 F C -0.525 175.289 175.800 0.023 0.000 1.106 1404 F CA -1.771 56.273 58.000 0.073 0.000 0.911 1404 F CB 1.669 40.759 39.000 0.151 0.000 1.190 1404 F HN -0.210 nan 8.300 nan 0.000 0.448 1405 Y N 3.902 124.347 120.300 0.242 0.000 2.937 1405 Y HA 0.155 4.705 4.550 -0.000 0.000 0.364 1405 Y C 0.026 175.943 175.900 0.029 0.000 1.164 1405 Y CA -0.608 57.549 58.100 0.095 0.000 2.025 1405 Y CB -1.160 37.325 38.460 0.043 0.000 2.155 1405 Y HN 0.238 nan 8.280 nan 0.000 0.409 1406 I N -1.301 119.374 120.570 0.174 0.000 3.237 1406 I HA 0.912 5.082 4.170 -0.000 0.000 0.308 1406 I C -0.148 176.022 176.117 0.089 0.000 1.093 1406 I CA -2.586 58.780 61.300 0.110 0.000 1.001 1406 I CB 0.903 39.005 38.000 0.170 0.000 1.245 1406 I HN -0.028 nan 8.210 nan 0.000 0.485 1407 A N 1.397 124.261 122.820 0.074 0.000 2.330 1407 A HA 0.623 4.943 4.320 -0.000 0.000 0.327 1407 A C -0.476 177.146 177.584 0.064 0.000 1.155 1407 A CA -0.725 51.349 52.037 0.062 0.000 0.803 1407 A CB -0.013 19.021 19.000 0.057 0.000 1.208 1407 A HN 0.826 nan 8.150 nan 0.000 0.477 1408 N N 0.894 119.626 118.700 0.053 0.000 2.513 1408 N HA 0.070 4.810 4.740 -0.000 0.000 0.274 1408 N C 0.648 176.187 175.510 0.048 0.000 1.189 1408 N CA -0.231 52.848 53.050 0.049 0.000 0.975 1408 N CB 1.143 39.652 38.487 0.037 0.000 1.157 1408 N HN 0.885 nan 8.380 nan 0.000 0.465 1409 E N 1.048 121.275 120.200 0.045 0.000 2.147 1409 E HA -0.278 4.072 4.350 -0.000 0.000 0.199 1409 E C 0.412 177.037 176.600 0.042 0.000 1.005 1409 E CA 1.719 58.143 56.400 0.041 0.000 0.810 1409 E CB 0.158 29.877 29.700 0.033 0.000 0.736 1409 E HN 0.523 nan 8.360 nan 0.000 0.460 1410 D N -0.345 120.077 120.400 0.038 0.000 2.103 1410 D HA -0.130 4.510 4.640 -0.000 0.000 0.199 1410 D C 1.649 177.978 176.300 0.048 0.000 0.978 1410 D CA 1.254 55.277 54.000 0.039 0.000 0.829 1410 D CB 0.063 40.881 40.800 0.030 0.000 0.981 1410 D HN 0.261 nan 8.370 nan 0.000 0.464 1411 E N 0.156 120.382 120.200 0.043 0.000 2.160 1411 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 1411 E C 2.145 178.779 176.600 0.055 0.000 0.991 1411 E CA 0.673 57.098 56.400 0.042 0.000 0.810 1411 E CB -0.077 29.645 29.700 0.036 0.000 0.742 1411 E HN 0.418 nan 8.360 nan 0.000 0.466 1412 I N 0.953 121.563 120.570 0.066 0.000 2.233 1412 I HA -0.182 3.988 4.170 -0.000 0.000 0.243 1412 I C 2.558 178.759 176.117 0.139 0.000 1.093 1412 I CA 0.709 62.061 61.300 0.087 0.000 1.380 1412 I CB -0.185 37.861 38.000 0.078 0.000 1.067 1412 I HN -0.057 nan 8.210 nan 0.000 0.413 1413 K N 1.596 122.068 120.400 0.120 0.000 2.209 1413 K HA -0.106 4.214 4.320 -0.000 0.000 0.204 1413 K C 2.010 178.752 176.600 0.237 0.000 1.048 1413 K CA 1.540 57.914 56.287 0.145 0.000 0.940 1413 K CB -0.246 32.294 32.500 0.067 0.000 0.729 1413 K HN 0.315 nan 8.250 nan 0.000 0.451 1414 A N -0.559 122.354 122.820 0.154 0.000 1.855 1414 A HA 0.065 4.385 4.320 -0.000 0.000 0.215 1414 A C 1.544 179.170 177.584 0.070 0.000 1.191 1414 A CA 2.082 54.192 52.037 0.122 0.000 0.613 1414 A CB -0.463 18.571 19.000 0.057 0.000 0.829 1414 A HN 0.452 nan 8.150 nan 0.000 0.442 1415 G N -2.216 106.577 108.800 -0.011 0.000 2.164 1415 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.154 1415 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.154 1415 G C 0.623 175.453 174.900 -0.117 0.000 1.014 1415 G CA 0.661 45.620 45.100 -0.236 0.000 0.683 1415 G HN 0.322 nan 8.290 nan 0.000 0.500 1416 K N 0.937 121.317 120.400 -0.033 0.000 2.442 1416 K HA 0.097 4.417 4.320 -0.000 0.000 0.198 1416 K C 2.260 178.867 176.600 0.011 0.000 1.042 1416 K CA 1.540 57.823 56.287 -0.007 0.000 0.958 1416 K CB -0.091 32.416 32.500 0.011 0.000 0.766 1416 K HN 0.575 nan 8.250 nan 0.000 0.474 1417 T N -2.282 112.282 114.554 0.016 0.000 3.223 1417 T HA 0.107 4.457 4.350 -0.000 0.000 0.259 1417 T C 0.608 175.342 174.700 0.056 0.000 1.015 1417 T CA -0.315 61.809 62.100 0.040 0.000 0.908 1417 T CB -0.422 68.476 68.868 0.051 0.000 1.054 1417 T HN 0.137 nan 8.240 nan 0.000 0.567 1418 T N -0.842 113.744 114.554 0.053 0.000 2.884 1418 T HA 0.396 4.746 4.350 -0.000 0.000 0.277 1418 T C -0.613 174.177 174.700 0.152 0.000 0.976 1418 T CA -0.873 61.304 62.100 0.128 0.000 0.956 1418 T CB 0.869 69.816 68.868 0.131 0.000 1.113 1418 T HN 0.085 nan 8.240 nan 0.000 0.554 1419 D N 1.583 122.128 120.400 0.242 0.000 2.312 1419 D HA 0.178 4.818 4.640 -0.000 0.000 0.252 1419 D C 1.937 178.358 176.300 0.201 0.000 1.150 1419 D CA -0.229 53.866 54.000 0.158 0.000 0.870 1419 D CB 1.678 42.556 40.800 0.131 0.000 1.153 1419 D HN 0.554 nan 8.370 nan 0.000 0.457 1420 V N 2.577 122.562 119.914 0.117 0.000 2.277 1420 V HA -0.364 3.756 4.120 -0.000 0.000 0.253 1420 V C 2.144 178.346 176.094 0.180 0.000 1.067 1420 V CA 1.633 64.002 62.300 0.115 0.000 1.047 1420 V CB -1.788 30.069 31.823 0.057 0.000 0.649 1420 V HN 0.748 nan 8.190 nan 0.000 0.447 1421 Y N -1.052 119.179 120.300 -0.116 0.000 2.736 1421 Y HA -0.056 4.494 4.550 -0.000 0.000 0.298 1421 Y C 1.997 177.873 175.900 -0.041 0.000 1.156 1421 Y CA 1.108 59.136 58.100 -0.121 0.000 1.384 1421 Y CB -0.836 37.505 38.460 -0.199 0.000 0.976 1421 Y HN 0.265 nan 8.280 nan 0.000 0.556 1422 F N -0.103 119.812 119.950 -0.057 0.000 2.446 1422 F HA 0.014 4.541 4.527 -0.000 0.000 0.292 1422 F C 2.141 177.886 175.800 -0.093 0.000 1.096 1422 F CA -0.062 57.827 58.000 -0.185 0.000 1.438 1422 F CB 0.096 39.007 39.000 -0.148 0.000 1.107 1422 F HN 0.064 nan 8.300 nan 0.000 0.546 1423 L N 0.145 121.455 121.223 0.144 0.000 1.994 1423 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 1423 L C 2.443 179.343 176.870 0.051 0.000 1.071 1423 L CA 1.486 56.361 54.840 0.058 0.000 0.745 1423 L CB -0.463 41.625 42.059 0.047 0.000 0.892 1423 L HN 0.040 nan 8.230 nan 0.000 0.431 1424 R N -1.056 119.483 120.500 0.065 0.000 2.159 1424 R HA -0.147 4.193 4.340 -0.000 0.000 0.237 1424 R C 2.109 178.440 176.300 0.052 0.000 1.131 1424 R CA 1.701 57.833 56.100 0.053 0.000 0.982 1424 R CB -0.529 29.808 30.300 0.063 0.000 0.868 1424 R HN 0.343 nan 8.270 nan 0.000 0.453 1425 T N 0.602 115.198 114.554 0.070 0.000 2.904 1425 T HA -0.099 4.251 4.350 -0.000 0.000 0.267 1425 T C 1.651 176.393 174.700 0.071 0.000 1.059 1425 T CA 1.036 63.187 62.100 0.084 0.000 1.137 1425 T CB 0.038 69.004 68.868 0.163 0.000 0.879 1425 T HN 0.235 nan 8.240 nan 0.000 0.467 1426 K N 0.800 121.222 120.400 0.036 0.000 2.103 1426 K HA -0.048 4.272 4.320 -0.000 0.000 0.204 1426 K C 2.213 178.817 176.600 0.006 0.000 1.052 1426 K CA 0.841 57.124 56.287 -0.007 0.000 0.945 1426 K CB 0.140 32.609 32.500 -0.051 0.000 0.722 1426 K HN 0.025 nan 8.250 nan 0.000 0.443 1427 K N 1.003 121.411 120.400 0.014 0.000 1.978 1427 K HA -0.156 4.164 4.320 -0.000 0.000 0.214 1427 K C 2.080 178.690 176.600 0.016 0.000 1.049 1427 K CA 1.272 57.567 56.287 0.013 0.000 0.939 1427 K CB -0.581 31.930 32.500 0.017 0.000 0.721 1427 K HN 0.165 nan 8.250 nan 0.000 0.441 1428 I N 1.713 122.296 120.570 0.022 0.000 2.113 1428 I HA -0.317 3.853 4.170 -0.000 0.000 0.242 1428 I C 2.575 178.703 176.117 0.019 0.000 1.057 1428 I CA 1.562 62.874 61.300 0.020 0.000 1.314 1428 I CB -1.343 36.670 38.000 0.023 0.000 1.022 1428 I HN 0.136 nan 8.210 nan 0.000 0.408 1429 L N -0.068 121.170 121.223 0.025 0.000 2.046 1429 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 1429 L C 2.603 179.482 176.870 0.016 0.000 1.077 1429 L CA 1.430 56.285 54.840 0.025 0.000 0.747 1429 L CB -0.522 41.561 42.059 0.041 0.000 0.896 1429 L HN 0.283 nan 8.230 nan 0.000 0.432 1430 E N -0.408 119.799 120.200 0.011 0.000 2.028 1430 E HA -0.166 4.184 4.350 -0.000 0.000 0.190 1430 E C 2.196 178.801 176.600 0.008 0.000 0.984 1430 E CA 1.221 57.625 56.400 0.006 0.000 0.800 1430 E CB 0.112 29.812 29.700 0.001 0.000 0.758 1430 E HN 0.161 nan 8.360 nan 0.000 0.448 1431 V N 1.200 121.119 119.914 0.009 0.000 2.214 1431 V HA -0.257 3.863 4.120 -0.000 0.000 0.244 1431 V C 2.162 178.262 176.094 0.009 0.000 1.045 1431 V CA 2.046 64.351 62.300 0.009 0.000 0.993 1431 V CB -0.459 31.370 31.823 0.009 0.000 0.633 1431 V HN 0.160 nan 8.190 nan 0.000 0.449 1432 K N 1.091 121.497 120.400 0.010 0.000 2.633 1432 K HA -0.101 4.219 4.320 -0.000 0.000 0.193 1432 K C 0.575 177.181 176.600 0.011 0.000 1.033 1432 K CA 0.431 56.724 56.287 0.010 0.000 0.980 1432 K CB -1.634 30.872 32.500 0.011 0.000 0.800 1432 K HN 0.584 nan 8.250 nan 0.000 0.493 1433 N N 0.611 119.318 118.700 0.011 0.000 2.664 1433 N HA -0.209 4.531 4.740 -0.000 0.000 0.296 1433 N C -1.111 174.407 175.510 0.014 0.000 1.153 1433 N CA 0.345 53.403 53.050 0.012 0.000 0.765 1433 N CB -0.511 37.983 38.487 0.011 0.000 0.962 1433 N HN 0.266 nan 8.380 nan 0.000 0.564 1434 I N 3.194 123.774 120.570 0.017 0.000 2.859 1434 I HA 0.191 4.361 4.170 -0.000 0.000 0.296 1434 I C -0.072 176.061 176.117 0.026 0.000 1.300 1434 I CA -0.569 60.742 61.300 0.019 0.000 1.020 1434 I CB 0.348 38.358 38.000 0.018 0.000 1.823 1434 I HN 0.124 nan 8.210 nan 0.000 0.599 1435 R N 4.716 125.232 120.500 0.025 0.000 2.340 1435 R HA 0.583 4.923 4.340 -0.000 0.000 0.300 1435 R C -0.333 175.990 176.300 0.038 0.000 1.069 1435 R CA -0.337 55.782 56.100 0.031 0.000 0.984 1435 R CB 0.998 31.314 30.300 0.027 0.000 1.003 1435 R HN 0.530 nan 8.270 nan 0.000 0.459 1436 K N -0.047 120.384 120.400 0.052 0.000 2.598 1436 K HA 0.354 4.674 4.320 -0.000 0.000 0.271 1436 K C -1.301 175.351 176.600 0.086 0.000 0.947 1436 K CA -1.114 55.208 56.287 0.059 0.000 0.854 1436 K CB 1.130 33.659 32.500 0.048 0.000 1.401 1436 K HN -0.014 nan 8.250 nan 0.000 0.415 1437 K N 1.371 121.822 120.400 0.085 0.000 2.322 1437 K HA 0.356 4.676 4.320 -0.000 0.000 0.283 1437 K C -0.601 176.072 176.600 0.121 0.000 1.042 1437 K CA -0.292 56.061 56.287 0.111 0.000 0.958 1437 K CB 1.244 33.796 32.500 0.087 0.000 0.984 1437 K HN 0.571 nan 8.250 nan 0.000 0.473 1438 V N 0.979 120.999 119.914 0.177 0.000 3.007 1438 V HA 0.656 4.776 4.120 -0.000 0.000 0.311 1438 V C -1.533 174.676 176.094 0.191 0.000 1.120 1438 V CA -1.286 61.120 62.300 0.176 0.000 0.980 1438 V CB 1.906 33.854 31.823 0.208 0.000 1.033 1438 V HN 0.469 nan 8.190 nan 0.000 0.429 1439 L N 3.127 124.430 121.223 0.133 0.000 2.319 1439 L HA 0.953 5.293 4.340 -0.000 0.000 0.281 1439 L C 0.180 177.112 176.870 0.104 0.000 1.005 1439 L CA -0.356 54.538 54.840 0.091 0.000 0.828 1439 L CB 0.791 42.869 42.059 0.032 0.000 1.227 1439 L HN 1.227 nan 8.230 nan 0.000 0.415 1440 A N 3.475 126.362 122.820 0.112 0.000 2.312 1440 A HA 0.727 5.047 4.320 -0.000 0.000 0.328 1440 A C -0.891 176.724 177.584 0.052 0.000 1.158 1440 A CA -0.556 51.557 52.037 0.126 0.000 0.821 1440 A CB 0.649 19.800 19.000 0.252 0.000 1.170 1440 A HN 0.683 nan 8.150 nan 0.000 0.490 1441 D N 0.072 120.504 120.400 0.054 0.000 2.269 1441 D HA 0.584 5.224 4.640 -0.000 0.000 0.244 1441 D C -1.081 175.234 176.300 0.025 0.000 0.992 1441 D CA -0.020 53.998 54.000 0.028 0.000 0.894 1441 D CB 1.987 42.811 40.800 0.040 0.000 1.248 1441 D HN 0.164 nan 8.370 nan 0.000 0.468 1442 V N 2.143 122.048 119.914 -0.015 0.000 2.407 1442 V HA 0.635 4.755 4.120 -0.000 0.000 0.291 1442 V C 0.292 176.380 176.094 -0.009 0.000 1.018 1442 V CA -0.350 61.921 62.300 -0.049 0.000 0.842 1442 V CB 1.331 33.038 31.823 -0.193 0.000 0.996 1442 V HN 0.844 nan 8.190 nan 0.000 0.426 1443 T N 0.912 115.543 114.554 0.129 0.000 2.647 1443 T HA 0.825 5.175 4.350 -0.000 0.000 0.295 1443 T C -0.394 174.502 174.700 0.327 0.000 1.126 1443 T CA -0.246 61.994 62.100 0.234 0.000 1.040 1443 T CB 2.306 71.227 68.868 0.089 0.000 1.472 1443 T HN 0.755 nan 8.240 nan 0.000 0.500 1444 T N -1.925 112.727 114.554 0.163 0.000 2.916 1444 T HA 0.572 4.922 4.350 -0.000 0.000 0.305 1444 T C 0.740 175.333 174.700 -0.178 0.000 1.119 1444 T CA -0.059 62.045 62.100 0.006 0.000 1.008 1444 T CB 1.418 70.248 68.868 -0.063 0.000 1.129 1444 T HN 1.068 nan 8.240 nan 0.000 0.480 1445 T N -1.340 113.082 114.554 -0.220 0.000 3.086 1445 T HA 0.442 4.792 4.350 -0.000 0.000 0.250 1445 T C 0.740 175.422 174.700 -0.030 0.000 1.074 1445 T CA 0.361 62.262 62.100 -0.332 0.000 0.988 1445 T CB -0.446 68.316 68.868 -0.176 0.000 0.988 1445 T HN 1.313 nan 8.240 nan 0.000 0.530 1446 S N -0.101 115.575 115.700 -0.040 0.000 2.587 1446 S HA 0.695 5.165 4.470 -0.000 0.000 0.269 1446 S C -1.583 172.974 174.600 -0.072 0.000 1.154 1446 S CA -1.187 56.999 58.200 -0.023 0.000 0.824 1446 S CB 1.119 64.296 63.200 -0.040 0.000 1.118 1446 S HN 0.229 nan 8.310 nan 0.000 0.462 1447 L N 0.780 121.948 121.223 -0.092 0.000 2.319 1447 L HA 0.659 4.999 4.340 -0.000 0.000 0.267 1447 L C -2.551 174.174 176.870 -0.242 0.000 1.011 1447 L CA -2.746 52.017 54.840 -0.128 0.000 0.818 1447 L CB 1.988 44.001 42.059 -0.076 0.000 1.316 1447 L HN 0.467 nan 8.230 nan 0.000 0.432 1448 P HA -0.010 nan 4.420 nan 0.000 0.266 1448 P C -0.348 176.342 177.300 -1.017 0.000 1.193 1448 P CA 0.275 62.995 63.100 -0.634 0.000 0.770 1448 P CB 0.186 31.442 31.700 -0.739 0.000 0.836 1449 N N 1.363 119.588 118.700 -0.792 0.000 2.678 1449 N HA -0.275 4.465 4.740 -0.000 0.000 0.250 1449 N C -0.451 174.761 175.510 -0.498 0.000 1.136 1449 N CA 1.287 53.908 53.050 -0.714 0.000 0.757 1449 N CB -2.055 35.805 38.487 -1.045 0.000 1.135 1449 N HN 0.693 nan 8.380 nan 0.000 0.565 1450 N N -1.740 116.742 118.700 -0.364 0.000 2.740 1450 N HA -0.187 4.553 4.740 -0.000 0.000 0.248 1450 N C -0.565 174.911 175.510 -0.057 0.000 1.062 1450 N CA 0.657 53.608 53.050 -0.165 0.000 0.704 1450 N CB -0.538 37.884 38.487 -0.108 0.000 0.968 1450 N HN 0.379 nan 8.380 nan 0.000 0.547 1451 W N 0.434 121.608 121.300 -0.209 0.000 2.112 1451 W HA 0.186 4.846 4.660 -0.000 0.000 0.349 1451 W C 1.754 178.106 176.519 -0.278 0.000 1.289 1451 W CA -0.401 56.756 57.345 -0.313 0.000 1.256 1451 W CB 0.146 29.335 29.460 -0.451 0.000 1.148 1451 W HN 0.110 nan 8.180 nan 0.000 0.590 1452 R N 0.292 120.745 120.500 -0.078 0.000 2.100 1452 R HA -0.043 4.297 4.340 -0.000 0.000 0.220 1452 R C 0.213 176.572 176.300 0.098 0.000 1.091 1452 R CA 0.956 57.058 56.100 0.004 0.000 0.986 1452 R CB -0.369 29.978 30.300 0.078 0.000 0.888 1452 R HN 0.594 nan 8.270 nan 0.000 0.444 1453 W N -1.047 120.240 121.300 -0.022 0.000 3.032 1453 W HA 0.714 5.374 4.660 -0.000 0.000 0.341 1453 W C -0.760 175.579 176.519 -0.299 0.000 1.202 1453 W CA -1.272 55.969 57.345 -0.173 0.000 1.132 1453 W CB 0.518 29.898 29.460 -0.133 0.000 1.465 1453 W HN 0.014 nan 8.180 nan 0.000 0.576 1454 G N -0.006 108.643 108.800 -0.253 0.000 2.694 1454 G HA2 0.597 4.557 3.960 -0.000 0.000 0.290 1454 G HA3 0.597 4.557 3.960 -0.000 0.000 0.290 1454 G C -2.368 172.668 174.900 0.226 0.000 1.386 1454 G CA -1.075 43.937 45.100 -0.147 0.000 0.872 1454 G HN 0.672 nan 8.290 nan 0.000 0.475 1455 V N 1.541 121.687 119.914 0.386 0.000 2.347 1455 V HA 0.340 4.460 4.120 -0.000 0.000 0.280 1455 V C 0.472 176.844 176.094 0.462 0.000 1.021 1455 V CA -0.701 61.825 62.300 0.377 0.000 0.847 1455 V CB 1.265 33.222 31.823 0.222 0.000 0.990 1455 V HN 0.659 nan 8.190 nan 0.000 0.444 1456 L N 6.359 127.855 121.223 0.455 0.000 2.462 1456 L HA 0.388 4.728 4.340 -0.000 0.000 0.272 1456 L C -0.771 176.214 176.870 0.193 0.000 1.166 1456 L CA 0.534 55.526 54.840 0.254 0.000 0.880 1456 L CB 1.090 43.229 42.059 0.132 0.000 1.142 1456 L HN 0.462 nan 8.230 nan 0.000 0.473 1457 V N 2.974 122.987 119.914 0.165 0.000 2.851 1457 V HA 0.624 4.744 4.120 -0.000 0.000 0.307 1457 V C 0.437 176.584 176.094 0.089 0.000 1.129 1457 V CA 0.170 62.551 62.300 0.135 0.000 0.932 1457 V CB 1.566 33.483 31.823 0.156 0.000 1.024 1457 V HN 0.930 nan 8.190 nan 0.000 0.426 1458 G N 2.417 111.251 108.800 0.056 0.000 2.192 1458 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.193 1458 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.193 1458 G C 0.552 175.427 174.900 -0.042 0.000 0.999 1458 G CA 0.220 45.326 45.100 0.011 0.000 0.659 1458 G HN 0.908 nan 8.290 nan 0.000 0.503 1459 V N 0.603 120.501 119.914 -0.027 0.000 2.453 1459 V HA -0.205 3.915 4.120 -0.000 0.000 0.252 1459 V C 2.397 178.411 176.094 -0.133 0.000 1.068 1459 V CA 2.931 65.208 62.300 -0.038 0.000 1.070 1459 V CB -0.502 31.352 31.823 0.051 0.000 0.664 1459 V HN 0.633 nan 8.190 nan 0.000 0.461 1460 E N 0.437 120.508 120.200 -0.215 0.000 1.998 1460 E HA -0.238 4.112 4.350 -0.000 0.000 0.196 1460 E C 2.328 178.670 176.600 -0.430 0.000 1.003 1460 E CA 1.570 57.631 56.400 -0.565 0.000 0.829 1460 E CB -0.190 29.276 29.700 -0.392 0.000 0.777 1460 E HN 0.672 nan 8.360 nan 0.000 0.460 1461 E N -0.087 119.975 120.200 -0.231 0.000 2.169 1461 E HA -0.240 4.110 4.350 -0.000 0.000 0.202 1461 E C 2.170 178.683 176.600 -0.144 0.000 1.016 1461 E CA 1.434 57.742 56.400 -0.153 0.000 0.817 1461 E CB -0.100 29.558 29.700 -0.070 0.000 0.736 1461 E HN 0.174 nan 8.360 nan 0.000 0.462 1462 V N 1.100 120.932 119.914 -0.137 0.000 2.407 1462 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 1462 V C 2.298 178.307 176.094 -0.142 0.000 1.055 1462 V CA 1.787 64.017 62.300 -0.116 0.000 1.049 1462 V CB -0.595 31.166 31.823 -0.103 0.000 0.662 1462 V HN 0.334 nan 8.190 nan 0.000 0.455 1463 A N -0.578 122.134 122.820 -0.180 0.000 1.898 1463 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 1463 A C 2.178 179.675 177.584 -0.145 0.000 1.181 1463 A CA 1.340 53.295 52.037 -0.138 0.000 0.620 1463 A CB -0.367 18.577 19.000 -0.094 0.000 0.819 1463 A HN 0.424 nan 8.150 nan 0.000 0.442 1464 K N -0.809 119.475 120.400 -0.194 0.000 2.515 1464 K HA -0.030 4.290 4.320 -0.000 0.000 0.196 1464 K C 1.488 178.021 176.600 -0.111 0.000 1.038 1464 K CA 0.795 57.000 56.287 -0.136 0.000 0.967 1464 K CB -0.159 32.255 32.500 -0.143 0.000 0.780 1464 K HN 0.500 nan 8.250 nan 0.000 0.483 1465 L N -0.320 120.824 121.223 -0.131 0.000 2.349 1465 L HA 0.046 4.386 4.340 -0.000 0.000 0.200 1465 L C 1.369 178.069 176.870 -0.285 0.000 1.064 1465 L CA 0.817 55.569 54.840 -0.148 0.000 0.821 1465 L CB 0.049 42.051 42.059 -0.096 0.000 1.027 1465 L HN -0.101 nan 8.230 nan 0.000 0.476 1466 L N 0.649 121.707 121.223 -0.275 0.000 2.599 1466 L HA 0.154 4.494 4.340 -0.000 0.000 0.230 1466 L C 0.790 177.525 176.870 -0.225 0.000 1.141 1466 L CA 0.465 55.107 54.840 -0.330 0.000 0.877 1466 L CB -1.439 40.467 42.059 -0.254 0.000 1.009 1466 L HN 0.368 nan 8.230 nan 0.000 0.447 1467 E N 0.400 120.500 120.200 -0.167 0.000 2.415 1467 E HA 0.244 4.594 4.350 -0.000 0.000 0.263 1467 E C 0.906 177.446 176.600 -0.100 0.000 0.995 1467 E CA 0.653 56.990 56.400 -0.106 0.000 0.915 1467 E CB 0.181 29.838 29.700 -0.072 0.000 0.951 1467 E HN 0.386 nan 8.360 nan 0.000 0.449 1468 G N 4.638 113.393 108.800 -0.075 0.000 2.256 1468 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.272 1468 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.272 1468 G C -0.156 174.706 174.900 -0.063 0.000 1.076 1468 G CA 0.258 45.324 45.100 -0.056 0.000 0.882 1468 G HN 0.503 nan 8.290 nan 0.000 0.497 1469 I N -0.966 119.557 120.570 -0.078 0.000 2.607 1469 I HA 0.243 4.413 4.170 -0.000 0.000 0.290 1469 I C -2.090 174.003 176.117 -0.041 0.000 1.129 1469 I CA -2.613 58.648 61.300 -0.064 0.000 1.042 1469 I CB 2.573 40.497 38.000 -0.127 0.000 1.242 1469 I HN -0.198 nan 8.210 nan 0.000 0.421 1470 P HA -0.118 nan 4.420 nan 0.000 0.277 1470 P C -0.530 176.781 177.300 0.019 0.000 1.436 1470 P CA 0.688 63.797 63.100 0.014 0.000 0.772 1470 P CB -0.636 31.087 31.700 0.039 0.000 1.637 1471 V N -4.934 114.960 119.914 -0.033 0.000 3.206 1471 V HA 0.587 4.707 4.120 -0.000 0.000 0.305 1471 V C -0.759 175.254 176.094 -0.134 0.000 1.257 1471 V CA -1.249 61.006 62.300 -0.075 0.000 1.057 1471 V CB 2.633 34.361 31.823 -0.158 0.000 1.075 1471 V HN -0.280 nan 8.190 nan 0.000 0.443 1472 N N 0.306 118.911 118.700 -0.158 0.000 2.417 1472 N HA 0.776 5.516 4.740 -0.000 0.000 0.300 1472 N C -1.119 174.198 175.510 -0.320 0.000 1.102 1472 N CA -0.355 52.531 53.050 -0.274 0.000 0.886 1472 N CB 2.003 40.313 38.487 -0.296 0.000 1.203 1472 N HN 0.712 nan 8.380 nan 0.000 0.496 1473 V N 2.875 122.534 119.914 -0.425 0.000 2.445 1473 V HA 0.315 4.435 4.120 -0.000 0.000 0.283 1473 V C -1.164 174.760 176.094 -0.283 0.000 1.014 1473 V CA -0.759 61.382 62.300 -0.264 0.000 0.852 1473 V CB -0.094 31.622 31.823 -0.179 0.000 1.021 1473 V HN 0.462 nan 8.190 nan 0.000 0.435 1474 Y N 2.535 122.790 120.300 -0.076 0.000 2.376 1474 Y HA 0.885 5.435 4.550 -0.000 0.000 0.325 1474 Y C 0.537 176.405 175.900 -0.053 0.000 1.199 1474 Y CA -0.561 57.507 58.100 -0.054 0.000 1.206 1474 Y CB 1.588 40.018 38.460 -0.050 0.000 1.229 1474 Y HN 0.759 nan 8.280 nan 0.000 0.480 1475 A N 1.854 124.744 122.820 0.116 0.000 2.536 1475 A HA 0.752 5.072 4.320 -0.000 0.000 0.293 1475 A C -1.304 176.312 177.584 0.053 0.000 1.119 1475 A CA -1.126 50.944 52.037 0.055 0.000 0.654 1475 A CB 1.223 20.242 19.000 0.031 0.000 1.291 1475 A HN 0.689 nan 8.150 nan 0.000 0.439 1476 M N 1.983 121.612 119.600 0.048 0.000 2.409 1476 M HA 0.391 4.871 4.480 -0.000 0.000 0.329 1476 M C -2.231 174.133 176.300 0.106 0.000 1.180 1476 M CA -1.765 53.584 55.300 0.082 0.000 1.053 1476 M CB 1.482 34.148 32.600 0.110 0.000 1.586 1476 M HN 0.490 nan 8.290 nan 0.000 0.461 1477 P HA 0.004 nan 4.420 nan 0.000 0.267 1477 P C -0.840 176.603 177.300 0.239 0.000 1.205 1477 P CA 0.107 63.289 63.100 0.137 0.000 0.765 1477 P CB 0.287 32.007 31.700 0.033 0.000 0.828 1478 E N 2.090 122.414 120.200 0.207 0.000 2.608 1478 E HA 0.114 4.464 4.350 -0.000 0.000 0.259 1478 E C 1.256 178.041 176.600 0.308 0.000 0.951 1478 E CA 1.323 57.851 56.400 0.214 0.000 0.945 1478 E CB -0.504 29.307 29.700 0.184 0.000 0.916 1478 E HN 0.797 nan 8.360 nan 0.000 0.477 1479 G N 3.012 111.961 108.800 0.248 0.000 2.195 1479 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.224 1479 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.224 1479 G C 0.353 175.265 174.900 0.019 0.000 0.990 1479 G CA 0.112 45.320 45.100 0.180 0.000 0.639 1479 G HN 0.645 nan 8.290 nan 0.000 0.514 1480 T N 2.872 117.553 114.554 0.211 0.000 2.940 1480 T HA 0.433 4.783 4.350 -0.000 0.000 0.309 1480 T C 0.905 175.728 174.700 0.205 0.000 1.056 1480 T CA 0.104 62.309 62.100 0.175 0.000 1.137 1480 T CB 1.022 70.099 68.868 0.348 0.000 0.976 1480 T HN 0.211 nan 8.240 nan 0.000 0.547 1481 I N 4.674 125.344 120.570 0.167 0.000 2.496 1481 I HA 0.320 4.490 4.170 -0.000 0.000 0.285 1481 I C 0.161 176.354 176.117 0.127 0.000 1.080 1481 I CA -0.352 61.026 61.300 0.129 0.000 1.404 1481 I CB -0.295 37.737 38.000 0.053 0.000 1.403 1481 I HN 0.615 nan 8.210 nan 0.000 0.539 1482 F N 5.354 125.195 119.950 -0.182 0.000 2.691 1482 F HA 0.717 5.244 4.527 -0.000 0.000 0.334 1482 F C -0.688 174.728 175.800 -0.641 0.000 1.107 1482 F CA -0.726 57.069 58.000 -0.341 0.000 0.991 1482 F CB 1.394 40.418 39.000 0.040 0.000 1.400 1482 F HN 0.406 nan 8.300 nan 0.000 0.503 1483 H N -1.936 117.138 119.070 0.006 0.000 2.960 1483 H HA 0.457 5.013 4.556 -0.000 0.000 0.338 1483 H C -2.898 172.549 175.328 0.199 0.000 1.261 1483 H CA -2.078 53.914 56.048 -0.093 0.000 1.136 1483 H CB 1.438 31.142 29.762 -0.096 0.000 1.875 1483 H HN 0.248 nan 8.280 nan 0.000 0.550 1484 P HA 0.036 nan 4.420 nan 0.000 0.272 1484 P C -0.459 177.111 177.300 0.450 0.000 1.223 1484 P CA 0.448 63.736 63.100 0.313 0.000 0.784 1484 P CB 0.254 32.149 31.700 0.325 0.000 0.923 1485 Y N -1.932 118.483 120.300 0.192 0.000 4.929 1485 Y HA -0.255 4.295 4.550 -0.000 0.000 0.253 1485 Y C 0.251 176.258 175.900 0.178 0.000 0.946 1485 Y CA 0.943 59.138 58.100 0.157 0.000 1.905 1485 Y CB -2.255 36.270 38.460 0.108 0.000 1.400 1485 Y HN 0.437 nan 8.280 nan 0.000 0.531 1486 E N 3.288 123.687 120.200 0.333 0.000 2.115 1486 E HA 0.245 4.595 4.350 -0.000 0.000 0.282 1486 E C -2.349 174.391 176.600 0.233 0.000 0.987 1486 E CA -2.101 54.479 56.400 0.300 0.000 0.797 1486 E CB 0.792 30.716 29.700 0.372 0.000 1.086 1486 E HN 0.003 nan 8.360 nan 0.000 0.397 1487 P HA -0.075 nan 4.420 nan 0.000 0.267 1487 P C 0.717 178.040 177.300 0.038 0.000 1.209 1487 P CA 0.159 63.303 63.100 0.074 0.000 0.763 1487 P CB 1.013 32.741 31.700 0.047 0.000 0.816 1488 V N 2.026 121.902 119.914 -0.062 0.000 3.590 1488 V HA 0.343 4.463 4.120 -0.000 0.000 0.265 1488 V C 0.655 176.667 176.094 -0.137 0.000 1.239 1488 V CA 0.432 62.649 62.300 -0.138 0.000 1.117 1488 V CB -0.497 31.090 31.823 -0.394 0.000 0.818 1488 V HN 0.441 nan 8.190 nan 0.000 0.451 1489 L N 0.305 121.453 121.223 -0.126 0.000 2.643 1489 L HA 0.525 4.865 4.340 -0.000 0.000 0.257 1489 L C -1.633 175.205 176.870 -0.053 0.000 0.922 1489 L CA -0.297 54.491 54.840 -0.087 0.000 0.909 1489 L CB 2.186 44.155 42.059 -0.150 0.000 1.424 1489 L HN 0.242 nan 8.230 nan 0.000 0.422 1490 Q N 4.299 124.105 119.800 0.012 0.000 2.416 1490 Q HA 0.742 5.082 4.340 -0.000 0.000 0.279 1490 Q C -1.421 174.599 176.000 0.034 0.000 1.101 1490 Q CA -0.890 54.926 55.803 0.020 0.000 0.830 1490 Q CB 3.347 32.084 28.738 -0.002 0.000 1.402 1490 Q HN 0.551 nan 8.270 nan 0.000 0.445 1491 I N 0.664 121.201 120.570 -0.055 0.000 2.656 1491 I HA 0.348 4.518 4.170 -0.000 0.000 0.292 1491 I C -1.038 174.957 176.117 -0.203 0.000 1.144 1491 I CA -0.522 60.639 61.300 -0.233 0.000 1.038 1491 I CB 2.531 40.159 38.000 -0.621 0.000 1.244 1491 I HN 0.581 nan 8.210 nan 0.000 0.420 1492 E N 3.501 123.624 120.200 -0.128 0.000 2.222 1492 E HA 0.791 5.141 4.350 -0.000 0.000 0.267 1492 E C -0.458 176.143 176.600 0.001 0.000 0.884 1492 E CA -0.456 55.947 56.400 0.005 0.000 0.764 1492 E CB 2.448 32.237 29.700 0.149 0.000 1.169 1492 E HN 0.865 nan 8.360 nan 0.000 0.413 1493 G N 2.785 111.683 108.800 0.163 0.000 2.350 1493 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.282 1493 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.282 1493 G C -1.553 173.561 174.900 0.357 0.000 1.314 1493 G CA -0.893 44.349 45.100 0.236 0.000 0.915 1493 G HN 0.526 nan 8.290 nan 0.000 0.499 1494 D N -0.486 120.068 120.400 0.257 0.000 2.339 1494 D HA 0.290 4.930 4.640 -0.000 0.000 0.256 1494 D C 1.127 177.446 176.300 0.031 0.000 1.214 1494 D CA -0.307 53.783 54.000 0.150 0.000 0.877 1494 D CB 0.702 41.547 40.800 0.075 0.000 1.111 1494 D HN 0.416 nan 8.370 nan 0.000 0.478 1495 Y N 4.303 124.506 120.300 -0.161 0.000 2.241 1495 Y HA -0.291 4.259 4.550 -0.000 0.000 0.286 1495 Y C 2.025 177.599 175.900 -0.543 0.000 1.166 1495 Y CA 2.124 59.850 58.100 -0.623 0.000 1.203 1495 Y CB -0.158 38.086 38.460 -0.360 0.000 0.977 1495 Y HN 0.529 nan 8.280 nan 0.000 0.529 1496 A N -0.273 122.395 122.820 -0.252 0.000 2.076 1496 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 1496 A C 1.848 179.273 177.584 -0.266 0.000 1.160 1496 A CA 2.057 53.965 52.037 -0.216 0.000 0.653 1496 A CB -0.580 18.383 19.000 -0.062 0.000 0.801 1496 A HN 0.557 nan 8.150 nan 0.000 0.455 1497 D N -0.906 119.349 120.400 -0.243 0.000 2.202 1497 D HA 0.010 4.650 4.640 -0.000 0.000 0.214 1497 D C 1.651 177.920 176.300 -0.052 0.000 0.967 1497 D CA 1.648 55.596 54.000 -0.087 0.000 0.871 1497 D CB -0.458 40.375 40.800 0.055 0.000 1.020 1497 D HN 0.652 nan 8.370 nan 0.000 0.474 1498 F N -0.282 119.587 119.950 -0.136 0.000 2.656 1498 F HA 0.415 4.942 4.527 -0.000 0.000 0.291 1498 F C 2.038 177.703 175.800 -0.225 0.000 1.122 1498 F CA 0.275 58.248 58.000 -0.045 0.000 1.427 1498 F CB -0.902 38.050 39.000 -0.079 0.000 1.125 1498 F HN -0.115 nan 8.300 nan 0.000 0.583 1499 G N 2.116 110.074 108.800 -1.403 0.000 2.581 1499 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.223 1499 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.223 1499 G C 1.126 175.482 174.900 -0.906 0.000 1.094 1499 G CA 1.518 45.664 45.100 -1.591 0.000 0.736 1499 G HN 0.458 nan 8.290 nan 0.000 0.588 1500 I N -0.880 119.330 120.570 -0.600 0.000 3.749 1500 I HA 0.206 4.376 4.170 -0.000 0.000 0.314 1500 I C 0.553 176.305 176.117 -0.608 0.000 1.267 1500 I CA -0.180 60.813 61.300 -0.512 0.000 1.169 1500 I CB -0.285 37.443 38.000 -0.453 0.000 1.009 1500 I HN 0.128 nan 8.210 nan 0.000 0.444 1501 Y N -0.237 119.942 120.300 -0.201 0.000 2.612 1501 Y HA 0.253 4.803 4.550 -0.000 0.000 0.250 1501 Y C 1.828 177.698 175.900 -0.050 0.000 1.175 1501 Y CA -0.238 57.820 58.100 -0.071 0.000 1.205 1501 Y CB 0.088 38.536 38.460 -0.020 0.000 1.201 1501 Y HN 0.164 nan 8.280 nan 0.000 0.532 1502 E N 0.031 120.194 120.200 -0.061 0.000 2.015 1502 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 1502 E C 1.654 178.342 176.600 0.146 0.000 0.991 1502 E CA 1.906 58.319 56.400 0.022 0.000 0.802 1502 E CB -0.181 29.456 29.700 -0.105 0.000 0.759 1502 E HN 0.314 nan 8.360 nan 0.000 0.447 1503 T N 1.202 115.888 114.554 0.220 0.000 2.751 1503 T HA -0.239 4.111 4.350 -0.000 0.000 0.268 1503 T C 1.838 176.629 174.700 0.152 0.000 1.045 1503 T CA 1.501 63.737 62.100 0.228 0.000 1.142 1503 T CB -0.182 68.832 68.868 0.243 0.000 0.851 1503 T HN 0.263 nan 8.240 nan 0.000 0.474 1504 A N 1.376 124.277 122.820 0.134 0.000 1.871 1504 A HA 0.248 4.568 4.320 -0.000 0.000 0.211 1504 A C 2.267 179.917 177.584 0.110 0.000 1.207 1504 A CA 0.999 53.111 52.037 0.125 0.000 0.620 1504 A CB -0.565 18.529 19.000 0.156 0.000 0.860 1504 A HN 0.491 nan 8.150 nan 0.000 0.450 1505 L N -0.675 120.615 121.223 0.111 0.000 2.017 1505 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 1505 L C 2.161 179.059 176.870 0.048 0.000 1.073 1505 L CA 1.836 56.711 54.840 0.059 0.000 0.745 1505 L CB -1.225 40.858 42.059 0.040 0.000 0.894 1505 L HN 0.263 nan 8.230 nan 0.000 0.432 1506 L N 0.478 121.749 121.223 0.081 0.000 2.042 1506 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 1506 L C 2.760 179.712 176.870 0.137 0.000 1.076 1506 L CA 1.485 56.390 54.840 0.108 0.000 0.749 1506 L CB -1.471 40.682 42.059 0.156 0.000 0.893 1506 L HN 0.581 nan 8.230 nan 0.000 0.432 1507 G N -0.474 108.401 108.800 0.125 0.000 2.422 1507 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 1507 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 1507 G C 1.626 176.591 174.900 0.109 0.000 1.146 1507 G CA 0.632 45.803 45.100 0.118 0.000 0.769 1507 G HN 0.217 nan 8.290 nan 0.000 0.547 1508 M N -0.224 119.426 119.600 0.085 0.000 2.132 1508 M HA 0.079 4.559 4.480 -0.000 0.000 0.263 1508 M C 2.520 178.865 176.300 0.075 0.000 1.065 1508 M CA 1.085 56.424 55.300 0.065 0.000 1.122 1508 M CB -0.339 32.279 32.600 0.031 0.000 1.365 1508 M HN 0.171 nan 8.290 nan 0.000 0.411 1509 L N -1.132 120.132 121.223 0.070 0.000 2.068 1509 L HA -0.086 4.254 4.340 -0.000 0.000 0.204 1509 L C 2.617 179.680 176.870 0.320 0.000 1.076 1509 L CA 0.692 55.583 54.840 0.085 0.000 0.753 1509 L CB -0.720 41.223 42.059 -0.192 0.000 0.910 1509 L HN 0.198 nan 8.230 nan 0.000 0.439 1510 S N -0.271 115.659 115.700 0.384 0.000 2.359 1510 S HA -0.322 4.148 4.470 -0.000 0.000 0.222 1510 S C 1.949 176.664 174.600 0.193 0.000 1.038 1510 S CA 1.760 60.166 58.200 0.343 0.000 1.051 1510 S CB -0.361 62.986 63.200 0.244 0.000 0.944 1510 S HN 0.413 nan 8.310 nan 0.000 0.433 1511 Q N 0.356 120.247 119.800 0.152 0.000 2.172 1511 Q HA 0.011 4.351 4.340 -0.000 0.000 0.200 1511 Q C 2.253 178.332 176.000 0.132 0.000 0.964 1511 Q CA 0.979 56.853 55.803 0.119 0.000 0.855 1511 Q CB -0.256 28.541 28.738 0.099 0.000 0.918 1511 Q HN 0.551 nan 8.270 nan 0.000 0.444 1512 A N 0.067 122.973 122.820 0.145 0.000 1.855 1512 A HA -0.159 4.161 4.320 -0.000 0.000 0.215 1512 A C 2.246 179.934 177.584 0.174 0.000 1.191 1512 A CA 1.747 53.871 52.037 0.145 0.000 0.613 1512 A CB -0.812 18.267 19.000 0.131 0.000 0.829 1512 A HN 0.379 nan 8.150 nan 0.000 0.442 1513 S N -0.302 115.532 115.700 0.223 0.000 2.387 1513 S HA -0.119 4.351 4.470 -0.000 0.000 0.230 1513 S C 2.008 176.748 174.600 0.233 0.000 1.035 1513 S CA 1.269 59.637 58.200 0.280 0.000 1.014 1513 S CB -0.697 62.755 63.200 0.420 0.000 0.836 1513 S HN 0.797 nan 8.310 nan 0.000 0.466 1514 G N 1.780 110.687 108.800 0.179 0.000 2.453 1514 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.215 1514 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.215 1514 G C 1.333 176.328 174.900 0.160 0.000 1.201 1514 G CA 0.806 45.997 45.100 0.152 0.000 0.784 1514 G HN 0.495 nan 8.290 nan 0.000 0.545 1515 I N 1.533 122.185 120.570 0.137 0.000 2.208 1515 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 1515 I C 3.329 179.515 176.117 0.115 0.000 1.097 1515 I CA 1.014 62.387 61.300 0.121 0.000 1.363 1515 I CB -0.391 37.679 38.000 0.117 0.000 1.051 1515 I HN 0.266 nan 8.210 nan 0.000 0.413 1516 A N 0.865 123.764 122.820 0.131 0.000 1.841 1516 A HA -0.241 4.079 4.320 -0.000 0.000 0.216 1516 A C 2.406 180.046 177.584 0.093 0.000 1.199 1516 A CA 2.751 54.858 52.037 0.117 0.000 0.621 1516 A CB -1.311 17.777 19.000 0.148 0.000 0.835 1516 A HN 0.388 nan 8.150 nan 0.000 0.445 1517 T N 0.563 115.192 114.554 0.125 0.000 2.653 1517 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 1517 T C 2.162 176.800 174.700 -0.102 0.000 1.035 1517 T CA 2.087 64.221 62.100 0.056 0.000 1.154 1517 T CB -0.672 68.253 68.868 0.095 0.000 0.862 1517 T HN 0.672 nan 8.240 nan 0.000 0.441 1518 A N 1.715 124.537 122.820 0.003 0.000 1.859 1518 A HA 0.035 4.355 4.320 -0.000 0.000 0.217 1518 A C 2.714 180.236 177.584 -0.103 0.000 1.198 1518 A CA 2.307 54.324 52.037 -0.033 0.000 0.629 1518 A CB -1.436 17.629 19.000 0.109 0.000 0.830 1518 A HN 0.545 nan 8.150 nan 0.000 0.446 1519 A N -0.525 122.271 122.820 -0.040 0.000 1.869 1519 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 1519 A C 2.168 179.682 177.584 -0.117 0.000 1.203 1519 A CA 2.111 54.110 52.037 -0.064 0.000 0.638 1519 A CB -0.935 18.058 19.000 -0.012 0.000 0.831 1519 A HN 0.911 nan 8.150 nan 0.000 0.450 1520 L N 0.155 121.331 121.223 -0.077 0.000 2.043 1520 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 1520 L C 2.490 179.277 176.870 -0.140 0.000 1.075 1520 L CA 2.233 57.024 54.840 -0.081 0.000 0.752 1520 L CB -0.672 41.410 42.059 0.037 0.000 0.891 1520 L HN 0.417 nan 8.230 nan 0.000 0.432 1521 R N -1.011 119.383 120.500 -0.177 0.000 2.096 1521 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 1521 R C 2.168 178.296 176.300 -0.286 0.000 1.127 1521 R CA 1.559 57.500 56.100 -0.266 0.000 0.968 1521 R CB -0.526 29.438 30.300 -0.559 0.000 0.861 1521 R HN 0.337 nan 8.270 nan 0.000 0.440 1522 I N 1.268 121.672 120.570 -0.275 0.000 2.252 1522 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 1522 I C 2.374 178.261 176.117 -0.383 0.000 1.102 1522 I CA 1.323 62.439 61.300 -0.307 0.000 1.385 1522 I CB -0.348 37.495 38.000 -0.261 0.000 1.064 1522 I HN -0.060 nan 8.210 nan 0.000 0.414 1523 K N 1.336 121.511 120.400 -0.374 0.000 1.987 1523 K HA -0.166 4.154 4.320 -0.000 0.000 0.216 1523 K C 1.986 178.151 176.600 -0.726 0.000 1.051 1523 K CA 1.939 57.933 56.287 -0.488 0.000 0.942 1523 K CB -0.718 31.517 32.500 -0.442 0.000 0.722 1523 K HN 0.257 nan 8.250 nan 0.000 0.444 1524 I N 0.465 120.578 120.570 -0.761 0.000 2.087 1524 I HA -0.358 3.812 4.170 -0.000 0.000 0.240 1524 I C 2.279 178.148 176.117 -0.413 0.000 1.054 1524 I CA 1.639 62.503 61.300 -0.727 0.000 1.311 1524 I CB -0.604 37.204 38.000 -0.321 0.000 1.024 1524 I HN 0.318 nan 8.210 nan 0.000 0.402 1525 A N 0.530 123.157 122.820 -0.321 0.000 2.024 1525 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 1525 A C 2.218 179.637 177.584 -0.274 0.000 1.164 1525 A CA 1.814 53.701 52.037 -0.250 0.000 0.643 1525 A CB -0.658 18.193 19.000 -0.248 0.000 0.806 1525 A HN 0.499 nan 8.150 nan 0.000 0.451 1526 A N -1.151 121.442 122.820 -0.377 0.000 2.337 1526 A HA 0.330 4.650 4.320 -0.000 0.000 0.227 1526 A C 0.671 178.201 177.584 -0.089 0.000 1.259 1526 A CA 0.220 52.058 52.037 -0.332 0.000 0.870 1526 A CB -0.261 18.404 19.000 -0.557 0.000 0.927 1526 A HN 0.337 nan 8.150 nan 0.000 0.497 1527 K N -1.390 118.948 120.400 -0.103 0.000 3.244 1527 K HA -0.238 4.082 4.320 -0.000 0.000 0.270 1527 K C -0.288 176.419 176.600 0.178 0.000 1.016 1527 K CA 0.903 57.231 56.287 0.069 0.000 0.754 1527 K CB -2.725 29.833 32.500 0.096 0.000 1.326 1527 K HN 0.617 nan 8.250 nan 0.000 0.465 1528 F N -1.724 118.201 119.950 -0.041 0.000 3.087 1528 F HA -0.369 4.158 4.527 -0.000 0.000 0.286 1528 F C 1.156 176.944 175.800 -0.019 0.000 0.810 1528 F CA 1.836 59.809 58.000 -0.045 0.000 1.024 1528 F CB -1.230 37.742 39.000 -0.047 0.000 1.278 1528 F HN 0.279 nan 8.300 nan 0.000 0.433 1529 K N 1.094 121.564 120.400 0.117 0.000 2.159 1529 K HA 0.110 4.430 4.320 -0.000 0.000 0.242 1529 K C -1.998 174.637 176.600 0.058 0.000 1.043 1529 K CA -1.015 55.343 56.287 0.118 0.000 0.856 1529 K CB -0.232 32.370 32.500 0.170 0.000 1.072 1529 K HN -0.112 nan 8.250 nan 0.000 0.514 1530 P HA 0.086 nan 4.420 nan 0.000 0.275 1530 P C -1.079 176.070 177.300 -0.253 0.000 1.227 1530 P CA -0.129 62.899 63.100 -0.120 0.000 0.781 1530 P CB 0.888 32.583 31.700 -0.009 0.000 0.906 1531 V N 4.067 123.676 119.914 -0.510 0.000 2.668 1531 V HA 0.317 4.437 4.120 -0.000 0.000 0.304 1531 V C -0.910 174.800 176.094 -0.640 0.000 1.071 1531 V CA -0.515 61.519 62.300 -0.443 0.000 0.894 1531 V CB 1.546 33.215 31.823 -0.257 0.000 1.008 1531 V HN 0.399 nan 8.190 nan 0.000 0.425 1532 Y N 1.649 121.902 120.300 -0.079 0.000 2.341 1532 Y HA 0.513 5.063 4.550 -0.000 0.000 0.338 1532 Y C 0.777 176.516 175.900 -0.269 0.000 0.965 1532 Y CA -0.527 57.526 58.100 -0.077 0.000 1.108 1532 Y CB 2.101 40.596 38.460 0.059 0.000 1.180 1532 Y HN 0.599 nan 8.280 nan 0.000 0.458 1533 S N 2.937 118.733 115.700 0.160 0.000 2.516 1533 S HA 0.183 4.653 4.470 -0.000 0.000 0.282 1533 S C -0.120 174.774 174.600 0.491 0.000 1.286 1533 S CA 0.071 58.392 58.200 0.202 0.000 1.066 1533 S CB 0.020 63.360 63.200 0.234 0.000 0.884 1533 S HN 0.590 nan 8.310 nan 0.000 0.491 1534 F N 2.934 123.005 119.950 0.202 0.000 2.856 1534 F HA 0.347 4.874 4.527 0.000 0.000 0.338 1534 F C 1.973 177.876 175.800 0.172 0.000 1.100 1534 F CA -0.360 57.750 58.000 0.183 0.000 1.150 1534 F CB -0.489 38.635 39.000 0.206 0.000 1.101 1534 F HN 0.699 nan 8.300 nan 0.000 0.548 1535 G N 1.381 110.404 108.800 0.371 0.000 2.534 1535 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.217 1535 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.217 1535 G C 1.734 176.807 174.900 0.288 0.000 1.128 1535 G CA 0.753 46.073 45.100 0.366 0.000 0.784 1535 G HN 0.471 nan 8.290 nan 0.000 0.542 1536 I N 0.075 120.755 120.570 0.183 0.000 2.761 1536 I HA -0.181 3.989 4.170 -0.000 0.000 0.266 1536 I C 2.407 178.546 176.117 0.036 0.000 1.239 1536 I CA 1.431 62.797 61.300 0.110 0.000 1.451 1536 I CB -0.197 37.852 38.000 0.082 0.000 1.096 1536 I HN 0.256 nan 8.210 nan 0.000 0.465 1537 R N 0.469 120.945 120.500 -0.041 0.000 2.280 1537 R HA -0.048 4.292 4.340 -0.000 0.000 0.207 1537 R C 1.030 177.190 176.300 -0.233 0.000 1.043 1537 R CA 1.240 57.229 56.100 -0.184 0.000 1.006 1537 R CB -0.921 29.206 30.300 -0.289 0.000 0.885 1537 R HN 0.500 nan 8.270 nan 0.000 0.467 1538 H N -0.598 118.497 119.070 0.042 0.000 2.551 1538 H HA 0.316 4.872 4.556 -0.000 0.000 0.271 1538 H C 0.097 175.449 175.328 0.039 0.000 0.984 1538 H CA -0.056 56.014 56.048 0.038 0.000 1.164 1538 H CB 0.361 30.150 29.762 0.046 0.000 1.437 1538 H HN 0.042 nan 8.280 nan 0.000 0.550 1539 M N -0.820 118.855 119.600 0.125 0.000 2.719 1539 M HA 0.200 4.680 4.480 -0.000 0.000 0.291 1539 M C -0.457 175.891 176.300 0.080 0.000 1.264 1539 M CA -1.048 54.319 55.300 0.112 0.000 0.811 1539 M CB 1.071 33.744 32.600 0.121 0.000 1.756 1539 M HN 0.072 nan 8.290 nan 0.000 0.464 1540 H N 3.518 122.596 119.070 0.013 0.000 2.886 1540 H HA 0.110 4.666 4.556 -0.000 0.000 0.329 1540 H C -1.468 173.849 175.328 -0.020 0.000 1.044 1540 H CA -0.169 55.869 56.048 -0.017 0.000 1.456 1540 H CB 0.741 30.498 29.762 -0.009 0.000 1.464 1540 H HN 0.221 nan 8.280 nan 0.000 0.573 1541 P HA -0.250 nan 4.420 nan 0.000 0.218 1541 P C 1.045 178.302 177.300 -0.071 0.000 1.146 1541 P CA 1.702 64.669 63.100 -0.221 0.000 0.813 1541 P CB 0.032 31.533 31.700 -0.332 0.000 0.778 1542 A N 1.071 123.916 122.820 0.041 0.000 1.948 1542 A HA -0.174 4.146 4.320 -0.000 0.000 0.220 1542 A C 2.151 179.814 177.584 0.132 0.000 1.177 1542 A CA 2.029 54.178 52.037 0.187 0.000 0.636 1542 A CB -1.505 17.729 19.000 0.390 0.000 0.815 1542 A HN 0.443 nan 8.150 nan 0.000 0.449 1543 I N -4.293 116.359 120.570 0.137 0.000 3.928 1543 I HA 0.464 4.634 4.170 -0.000 0.000 0.335 1543 I C 1.873 178.039 176.117 0.082 0.000 1.325 1543 I CA 0.514 61.876 61.300 0.103 0.000 1.107 1543 I CB -0.259 37.807 38.000 0.110 0.000 1.014 1543 I HN 0.129 nan 8.210 nan 0.000 0.400 1544 A N 3.293 126.149 122.820 0.061 0.000 1.915 1544 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 1544 A C 0.398 178.020 177.584 0.063 0.000 1.198 1544 A CA 2.512 54.580 52.037 0.051 0.000 0.647 1544 A CB -2.044 16.969 19.000 0.021 0.000 0.825 1544 A HN 0.483 nan 8.150 nan 0.000 0.456 1545 P HA -0.169 nan 4.420 nan 0.000 0.214 1545 P C 1.856 179.198 177.300 0.069 0.000 1.162 1545 P CA 1.816 64.949 63.100 0.055 0.000 0.871 1545 P CB -0.369 31.356 31.700 0.042 0.000 0.783 1546 M N -0.849 118.794 119.600 0.072 0.000 2.108 1546 M HA -0.174 4.306 4.480 -0.000 0.000 0.257 1546 M C 2.100 178.459 176.300 0.098 0.000 1.071 1546 M CA 2.187 57.535 55.300 0.080 0.000 1.093 1546 M CB -1.689 30.958 32.600 0.078 0.000 1.345 1546 M HN -0.230 nan 8.290 nan 0.000 0.403 1547 I N 0.610 121.240 120.570 0.101 0.000 2.090 1547 I HA -0.275 3.895 4.170 -0.000 0.000 0.236 1547 I C 2.131 178.327 176.117 0.131 0.000 1.064 1547 I CA 1.706 63.075 61.300 0.115 0.000 1.324 1547 I CB -0.965 37.104 38.000 0.114 0.000 1.044 1547 I HN 0.351 nan 8.210 nan 0.000 0.399 1548 D N 0.494 120.970 120.400 0.126 0.000 2.190 1548 D HA -0.201 4.439 4.640 -0.000 0.000 0.200 1548 D C 2.220 178.619 176.300 0.166 0.000 0.992 1548 D CA 0.980 55.067 54.000 0.144 0.000 0.854 1548 D CB -0.347 40.521 40.800 0.114 0.000 0.936 1548 D HN 0.181 nan 8.370 nan 0.000 0.462 1549 R N 0.593 121.176 120.500 0.138 0.000 2.148 1549 R HA -0.003 4.337 4.340 -0.000 0.000 0.227 1549 R C 1.861 178.299 176.300 0.230 0.000 1.103 1549 R CA 0.958 57.160 56.100 0.170 0.000 0.983 1549 R CB -0.082 30.288 30.300 0.116 0.000 0.874 1549 R HN 0.115 nan 8.270 nan 0.000 0.451 1550 A N 0.165 123.095 122.820 0.182 0.000 1.935 1550 A HA 0.079 4.399 4.320 -0.000 0.000 0.214 1550 A C 2.267 179.951 177.584 0.167 0.000 1.178 1550 A CA 1.144 53.281 52.037 0.167 0.000 0.640 1550 A CB -0.418 18.666 19.000 0.141 0.000 0.825 1550 A HN 0.356 nan 8.150 nan 0.000 0.447 1551 A N -1.010 121.916 122.820 0.177 0.000 1.933 1551 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 1551 A C 1.948 179.642 177.584 0.183 0.000 1.175 1551 A CA 1.550 53.681 52.037 0.155 0.000 0.628 1551 A CB -0.635 18.466 19.000 0.167 0.000 0.814 1551 A HN 0.548 nan 8.150 nan 0.000 0.444 1552 F N 0.660 120.659 119.950 0.082 0.000 2.009 1552 F HA -0.113 4.414 4.527 -0.000 0.000 0.293 1552 F C 2.060 177.905 175.800 0.074 0.000 1.156 1552 F CA 1.626 59.675 58.000 0.083 0.000 1.168 1552 F CB -0.647 38.410 39.000 0.095 0.000 0.981 1552 F HN 0.153 nan 8.300 nan 0.000 0.475 1553 I N 0.474 121.115 120.570 0.118 0.000 2.290 1553 I HA -0.351 3.819 4.170 -0.000 0.000 0.253 1553 I C 2.518 178.615 176.117 -0.033 0.000 1.112 1553 I CA 1.524 62.831 61.300 0.012 0.000 1.377 1553 I CB -1.348 36.728 38.000 0.128 0.000 1.060 1553 I HN 0.398 nan 8.210 nan 0.000 0.428 1554 G N -0.350 108.455 108.800 0.009 0.000 2.471 1554 G HA2 0.083 4.043 3.960 -0.000 0.000 0.219 1554 G HA3 0.083 4.043 3.960 -0.000 0.000 0.219 1554 G C 1.313 176.177 174.900 -0.060 0.000 1.125 1554 G CA 0.891 45.990 45.100 -0.002 0.000 0.775 1554 G HN 0.603 nan 8.290 nan 0.000 0.548 1555 G N -2.317 106.416 108.800 -0.112 0.000 2.559 1555 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.202 1555 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.202 1555 G C 0.208 175.030 174.900 -0.129 0.000 0.992 1555 G CA -0.133 44.889 45.100 -0.130 0.000 0.764 1555 G HN 0.420 nan 8.290 nan 0.000 0.525 1556 C N 2.079 121.331 119.300 -0.079 0.000 2.648 1556 C HA 0.369 4.829 4.460 -0.000 0.000 0.415 1556 C C 1.846 176.868 174.990 0.053 0.000 1.366 1556 C CA 0.831 59.838 59.018 -0.019 0.000 1.756 1556 C CB 0.083 27.881 27.740 0.096 0.000 2.549 1556 C HN 0.573 nan 8.230 nan 0.000 0.597 1557 D N 1.331 121.719 120.400 -0.020 0.000 2.097 1557 D HA 0.098 4.738 4.640 -0.000 0.000 0.195 1557 D C 1.172 177.761 176.300 0.481 0.000 0.989 1557 D CA 1.727 55.814 54.000 0.144 0.000 0.827 1557 D CB 0.060 40.864 40.800 0.007 0.000 0.966 1557 D HN 0.765 nan 8.370 nan 0.000 0.456 1558 G N -1.213 107.955 108.800 0.614 0.000 2.730 1558 G HA2 0.583 4.543 3.960 -0.000 0.000 0.289 1558 G HA3 0.583 4.543 3.960 -0.000 0.000 0.289 1558 G C -1.626 173.588 174.900 0.523 0.000 1.341 1558 G CA -0.458 45.037 45.100 0.659 0.000 0.932 1558 G HN 0.003 nan 8.290 nan 0.000 0.481 1559 V N -0.089 120.034 119.914 0.348 0.000 2.709 1559 V HA 0.411 4.531 4.120 -0.000 0.000 0.308 1559 V C 1.172 177.418 176.094 0.254 0.000 1.062 1559 V CA 0.054 62.527 62.300 0.289 0.000 0.901 1559 V CB 1.813 33.731 31.823 0.158 0.000 1.003 1559 V HN 0.899 nan 8.190 nan 0.000 0.425 1560 S N 3.767 119.654 115.700 0.312 0.000 2.383 1560 S HA 0.014 4.484 4.470 -0.000 0.000 0.227 1560 S C 1.110 175.762 174.600 0.088 0.000 1.026 1560 S CA 1.075 59.390 58.200 0.192 0.000 0.981 1560 S CB -0.325 62.998 63.200 0.204 0.000 0.818 1560 S HN 1.098 nan 8.310 nan 0.000 0.472 1561 G N 1.098 109.957 108.800 0.098 0.000 2.343 1561 G HA2 0.376 4.336 3.960 -0.000 0.000 0.254 1561 G HA3 0.376 4.336 3.960 -0.000 0.000 0.254 1561 G C 0.866 175.785 174.900 0.032 0.000 1.277 1561 G CA -0.256 44.876 45.100 0.053 0.000 0.909 1561 G HN 0.248 nan 8.290 nan 0.000 0.502 1562 V N 4.321 124.244 119.914 0.016 0.000 2.221 1562 V HA -0.143 3.977 4.120 -0.000 0.000 0.240 1562 V C 2.712 178.809 176.094 0.005 0.000 1.041 1562 V CA 1.208 63.512 62.300 0.007 0.000 0.991 1562 V CB -0.733 31.092 31.823 0.002 0.000 0.634 1562 V HN 0.664 nan 8.190 nan 0.000 0.450 1563 L N 0.912 122.139 121.223 0.007 0.000 2.129 1563 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 1563 L C 2.287 179.162 176.870 0.008 0.000 1.087 1563 L CA 2.624 57.469 54.840 0.008 0.000 0.757 1563 L CB -1.555 40.511 42.059 0.013 0.000 0.896 1563 L HN 0.481 nan 8.230 nan 0.000 0.434 1564 G N -1.130 107.678 108.800 0.013 0.000 2.408 1564 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.217 1564 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.217 1564 G C 1.712 176.600 174.900 -0.020 0.000 1.150 1564 G CA 0.845 45.952 45.100 0.012 0.000 0.776 1564 G HN 0.589 nan 8.290 nan 0.000 0.542 1565 A N 1.334 124.139 122.820 -0.024 0.000 1.851 1565 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 1565 A C 2.134 179.676 177.584 -0.069 0.000 1.195 1565 A CA 2.018 54.017 52.037 -0.063 0.000 0.622 1565 A CB -0.586 18.395 19.000 -0.031 0.000 0.831 1565 A HN 0.458 nan 8.150 nan 0.000 0.444 1566 E N -0.387 119.792 120.200 -0.034 0.000 2.013 1566 E HA -0.272 4.078 4.350 -0.000 0.000 0.202 1566 E C 2.052 178.639 176.600 -0.023 0.000 1.018 1566 E CA 1.676 58.062 56.400 -0.024 0.000 0.834 1566 E CB -0.495 29.199 29.700 -0.009 0.000 0.770 1566 E HN 0.637 nan 8.360 nan 0.000 0.459 1567 M N -0.049 119.543 119.600 -0.012 0.000 2.324 1567 M HA -0.249 4.231 4.480 -0.000 0.000 0.255 1567 M C 2.229 178.525 176.300 -0.007 0.000 1.088 1567 M CA 1.452 56.750 55.300 -0.003 0.000 1.048 1567 M CB -0.370 32.234 32.600 0.006 0.000 1.383 1567 M HN 0.230 nan 8.290 nan 0.000 0.418 1568 M N -1.690 117.887 119.600 -0.038 0.000 2.447 1568 M HA 0.171 4.651 4.480 -0.000 0.000 0.266 1568 M C 1.106 177.379 176.300 -0.044 0.000 1.120 1568 M CA 0.933 56.200 55.300 -0.054 0.000 1.166 1568 M CB 0.446 32.942 32.600 -0.175 0.000 1.349 1568 M HN 0.434 nan 8.290 nan 0.000 0.463 1569 G N 2.137 110.903 108.800 -0.056 0.000 2.427 1569 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.193 1569 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.193 1569 G C -0.674 174.194 174.900 -0.052 0.000 1.086 1569 G CA -0.544 44.538 45.100 -0.030 0.000 0.818 1569 G HN 0.341 nan 8.290 nan 0.000 0.490 1570 E N -0.537 119.610 120.200 -0.088 0.000 2.429 1570 E HA 0.480 4.830 4.350 -0.000 0.000 0.276 1570 E C -0.102 176.468 176.600 -0.051 0.000 0.953 1570 E CA -0.993 55.349 56.400 -0.095 0.000 0.787 1570 E CB 1.729 31.277 29.700 -0.253 0.000 1.307 1570 E HN 0.531 nan 8.360 nan 0.000 0.458 1571 K N -0.539 119.851 120.400 -0.016 0.000 2.234 1571 K HA 0.679 4.999 4.320 -0.000 0.000 0.277 1571 K C -0.386 176.223 176.600 0.014 0.000 1.038 1571 K CA -0.675 55.612 56.287 0.001 0.000 0.888 1571 K CB 1.436 33.943 32.500 0.013 0.000 1.091 1571 K HN 0.413 nan 8.250 nan 0.000 0.467 1572 A N 4.064 126.891 122.820 0.012 0.000 2.484 1572 A HA 0.208 4.528 4.320 -0.000 0.000 0.268 1572 A C 0.017 177.620 177.584 0.032 0.000 1.114 1572 A CA -0.623 51.434 52.037 0.032 0.000 0.780 1572 A CB 0.219 19.233 19.000 0.024 0.000 1.061 1572 A HN 0.692 nan 8.150 nan 0.000 0.505 1573 V N 3.078 123.021 119.914 0.048 0.000 3.262 1573 V HA 0.922 5.042 4.120 -0.000 0.000 0.313 1573 V C 0.712 176.805 176.094 -0.002 0.000 1.070 1573 V CA 0.788 63.088 62.300 0.001 0.000 1.049 1573 V CB 1.805 33.582 31.823 -0.076 0.000 1.157 1573 V HN 1.592 nan 8.190 nan 0.000 0.454 1574 G N 1.239 110.004 108.800 -0.058 0.000 2.340 1574 G HA2 0.541 4.501 3.960 -0.000 0.000 0.299 1574 G HA3 0.541 4.501 3.960 -0.000 0.000 0.299 1574 G C -0.490 174.310 174.900 -0.165 0.000 1.291 1574 G CA 0.546 45.568 45.100 -0.130 0.000 0.841 1574 G HN 1.280 nan 8.290 nan 0.000 0.500 1575 T N -3.251 111.164 114.554 -0.232 0.000 1.999 1575 T HA 0.699 5.049 4.350 -0.000 0.000 0.176 1575 T C 0.011 174.530 174.700 -0.302 0.000 0.685 1575 T CA -0.315 61.613 62.100 -0.288 0.000 1.245 1575 T CB 0.594 69.255 68.868 -0.344 0.000 2.785 1575 T HN 0.567 nan 8.240 nan 0.000 0.425 1576 M N 2.049 121.461 119.600 -0.312 0.000 2.393 1576 M HA 0.608 5.088 4.480 -0.000 0.000 0.316 1576 M C -2.760 173.422 176.300 -0.196 0.000 1.087 1576 M CA -1.959 53.183 55.300 -0.264 0.000 0.937 1576 M CB 2.477 34.898 32.600 -0.297 0.000 1.668 1576 M HN 0.374 nan 8.290 nan 0.000 0.438 1577 P HA 0.256 nan 4.420 nan 0.000 0.280 1577 P C -0.003 177.218 177.300 -0.133 0.000 1.272 1577 P CA -0.462 62.579 63.100 -0.099 0.000 0.819 1577 P CB 0.744 32.419 31.700 -0.042 0.000 1.122 1578 H N 0.106 119.138 119.070 -0.064 0.000 2.470 1578 H HA 0.016 4.572 4.556 -0.000 0.000 0.289 1578 H C 1.740 177.025 175.328 -0.071 0.000 1.033 1578 H CA 1.474 57.469 56.048 -0.088 0.000 1.331 1578 H CB -0.136 29.574 29.762 -0.085 0.000 1.414 1578 H HN 0.393 nan 8.280 nan 0.000 0.545 1579 A N 1.368 124.231 122.820 0.071 0.000 1.877 1579 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 1579 A C 2.555 180.157 177.584 0.030 0.000 1.186 1579 A CA 1.236 53.301 52.037 0.046 0.000 0.620 1579 A CB -0.926 18.093 19.000 0.032 0.000 0.822 1579 A HN 0.393 nan 8.150 nan 0.000 0.443 1580 L N -0.216 121.013 121.223 0.010 0.000 1.971 1580 L HA -0.221 4.119 4.340 -0.000 0.000 0.215 1580 L C 2.407 179.281 176.870 0.006 0.000 1.072 1580 L CA 2.226 57.078 54.840 0.019 0.000 0.758 1580 L CB -0.328 41.745 42.059 0.024 0.000 0.889 1580 L HN 0.454 nan 8.230 nan 0.000 0.433 1581 I N -0.150 120.384 120.570 -0.059 0.000 2.264 1581 I HA -0.341 3.829 4.170 -0.000 0.000 0.248 1581 I C 2.399 178.523 176.117 0.012 0.000 1.111 1581 I CA 1.535 62.770 61.300 -0.108 0.000 1.382 1581 I CB -0.283 37.564 38.000 -0.255 0.000 1.060 1581 I HN 0.343 nan 8.210 nan 0.000 0.418 1582 I N 0.432 121.037 120.570 0.058 0.000 2.353 1582 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 1582 I C 2.816 179.014 176.117 0.136 0.000 1.119 1582 I CA 1.789 63.199 61.300 0.182 0.000 1.417 1582 I CB -0.603 37.499 38.000 0.171 0.000 1.078 1582 I HN 0.396 nan 8.210 nan 0.000 0.421 1583 T N -1.307 113.297 114.554 0.084 0.000 2.812 1583 T HA -0.069 4.281 4.350 -0.000 0.000 0.264 1583 T C 1.838 176.580 174.700 0.070 0.000 1.042 1583 T CA 0.898 63.038 62.100 0.067 0.000 1.140 1583 T CB -0.837 68.059 68.868 0.048 0.000 0.870 1583 T HN 0.110 nan 8.240 nan 0.000 0.445 1584 V N 1.707 121.669 119.914 0.080 0.000 2.720 1584 V HA 0.111 4.231 4.120 -0.000 0.000 0.256 1584 V C 2.522 178.667 176.094 0.084 0.000 1.082 1584 V CA 1.445 63.812 62.300 0.111 0.000 1.101 1584 V CB -1.484 30.429 31.823 0.149 0.000 0.693 1584 V HN 0.954 nan 8.190 nan 0.000 0.479 1585 G N 0.012 108.858 108.800 0.077 0.000 2.184 1585 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.264 1585 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.264 1585 G C 0.094 175.016 174.900 0.036 0.000 0.975 1585 G CA 0.476 45.612 45.100 0.060 0.000 0.642 1585 G HN 0.596 nan 8.290 nan 0.000 0.536 1586 D N -0.941 119.459 120.400 -0.000 0.000 2.966 1586 D HA 0.376 5.016 4.640 -0.000 0.000 0.222 1586 D C 1.230 177.374 176.300 -0.260 0.000 1.292 1586 D CA -0.401 53.552 54.000 -0.079 0.000 0.907 1586 D CB 1.007 41.748 40.800 -0.099 0.000 1.621 1586 D HN 0.042 nan 8.370 nan 0.000 0.557 1587 Q N 1.124 120.712 119.800 -0.353 0.000 1.985 1587 Q HA -0.149 4.191 4.340 -0.000 0.000 0.207 1587 Q C 2.104 177.292 176.000 -1.353 0.000 0.996 1587 Q CA 2.184 57.449 55.803 -0.897 0.000 0.851 1587 Q CB -0.227 28.047 28.738 -0.772 0.000 0.921 1587 Q HN 0.465 nan 8.270 nan 0.000 0.418 1588 V N 0.999 120.520 119.914 -0.654 0.000 2.255 1588 V HA -0.314 3.806 4.120 -0.000 0.000 0.247 1588 V C 2.227 178.133 176.094 -0.314 0.000 1.051 1588 V CA 2.184 64.336 62.300 -0.247 0.000 1.018 1588 V CB -0.729 31.112 31.823 0.031 0.000 0.641 1588 V HN 0.342 nan 8.190 nan 0.000 0.445 1589 K N 0.150 120.335 120.400 -0.359 0.000 2.103 1589 K HA -0.216 4.104 4.320 -0.000 0.000 0.207 1589 K C 2.200 178.399 176.600 -0.668 0.000 1.048 1589 K CA 1.548 57.521 56.287 -0.522 0.000 0.930 1589 K CB -0.340 31.914 32.500 -0.409 0.000 0.716 1589 K HN 0.469 nan 8.250 nan 0.000 0.444 1590 A N 1.179 123.732 122.820 -0.444 0.000 1.835 1590 A HA -0.174 4.146 4.320 -0.000 0.000 0.215 1590 A C 1.711 179.282 177.584 -0.022 0.000 1.199 1590 A CA 1.683 53.592 52.037 -0.214 0.000 0.615 1590 A CB -1.195 17.616 19.000 -0.314 0.000 0.838 1590 A HN 0.656 nan 8.150 nan 0.000 0.444 1591 W N -0.017 121.269 121.300 -0.024 0.000 2.961 1591 W HA 0.247 4.907 4.660 0.000 0.000 0.240 1591 W C 1.369 177.929 176.519 0.070 0.000 1.305 1591 W CA 0.322 57.683 57.345 0.027 0.000 1.465 1591 W CB -0.386 29.040 29.460 -0.057 0.000 1.135 1591 W HN 0.204 nan 8.180 nan 0.000 0.688 1592 K N 0.069 120.610 120.400 0.236 0.000 2.067 1592 K HA -0.063 4.257 4.320 -0.000 0.000 0.203 1592 K C 1.925 178.634 176.600 0.182 0.000 1.048 1592 K CA 1.265 57.634 56.287 0.137 0.000 0.954 1592 K CB -0.675 31.791 32.500 -0.057 0.000 0.737 1592 K HN 0.198 nan 8.250 nan 0.000 0.444 1593 Y N -0.331 120.053 120.300 0.140 0.000 2.207 1593 Y HA -0.288 4.262 4.550 -0.000 0.000 0.287 1593 Y C 2.232 178.196 175.900 0.107 0.000 1.156 1593 Y CA 0.716 58.873 58.100 0.094 0.000 1.182 1593 Y CB -0.168 38.334 38.460 0.069 0.000 0.979 1593 Y HN 0.070 nan 8.280 nan 0.000 0.521 1594 F N 1.319 121.401 119.950 0.219 0.000 2.134 1594 F HA -0.237 4.290 4.527 -0.000 0.000 0.299 1594 F C 2.134 178.000 175.800 0.110 0.000 1.097 1594 F CA 1.903 59.987 58.000 0.140 0.000 1.264 1594 F CB -0.387 38.692 39.000 0.132 0.000 1.001 1594 F HN 0.010 nan 8.300 nan 0.000 0.479 1595 D N 0.034 120.616 120.400 0.302 0.000 2.149 1595 D HA -0.235 4.405 4.640 -0.000 0.000 0.198 1595 D C 2.014 178.339 176.300 0.043 0.000 0.990 1595 D CA 1.874 55.983 54.000 0.181 0.000 0.839 1595 D CB -0.210 40.706 40.800 0.193 0.000 0.948 1595 D HN 0.696 nan 8.370 nan 0.000 0.460 1596 E N -0.578 119.656 120.200 0.055 0.000 2.075 1596 E HA -0.046 4.304 4.350 -0.000 0.000 0.190 1596 E C 2.261 178.838 176.600 -0.039 0.000 0.969 1596 E CA 0.592 57.007 56.400 0.025 0.000 0.815 1596 E CB -0.345 29.400 29.700 0.076 0.000 0.776 1596 E HN 0.109 nan 8.360 nan 0.000 0.457 1597 V N 1.878 121.757 119.914 -0.059 0.000 2.358 1597 V HA -0.113 4.007 4.120 -0.000 0.000 0.246 1597 V C 1.507 177.488 176.094 -0.189 0.000 1.047 1597 V CA 0.867 63.102 62.300 -0.109 0.000 1.035 1597 V CB -0.464 31.301 31.823 -0.097 0.000 0.658 1597 V HN 0.264 nan 8.190 nan 0.000 0.452 1598 I N 0.531 120.888 120.570 -0.354 0.000 2.662 1598 I HA 0.202 4.372 4.170 -0.000 0.000 0.291 1598 I C 0.822 176.789 176.117 -0.251 0.000 1.046 1598 I CA -0.631 60.423 61.300 -0.410 0.000 1.361 1598 I CB 0.103 37.569 38.000 -0.889 0.000 1.429 1598 I HN 0.251 nan 8.210 nan 0.000 0.558 1599 E N 3.732 123.831 120.200 -0.170 0.000 2.492 1599 E HA -0.097 4.253 4.350 -0.000 0.000 0.266 1599 E C 0.921 177.471 176.600 -0.083 0.000 1.187 1599 E CA 0.106 56.446 56.400 -0.100 0.000 1.036 1599 E CB 0.633 30.291 29.700 -0.070 0.000 0.994 1599 E HN 0.370 nan 8.360 nan 0.000 0.468 1600 E N 0.969 121.139 120.200 -0.051 0.000 2.250 1600 E HA -0.082 4.268 4.350 -0.000 0.000 0.192 1600 E C 1.365 177.949 176.600 -0.026 0.000 0.986 1600 E CA 0.438 56.820 56.400 -0.031 0.000 0.849 1600 E CB 0.104 29.790 29.700 -0.024 0.000 0.797 1600 E HN 0.475 nan 8.360 nan 0.000 0.482 1601 E N 0.710 120.891 120.200 -0.031 0.000 2.409 1601 E HA -0.038 4.312 4.350 -0.000 0.000 0.198 1601 E C 0.232 176.813 176.600 -0.031 0.000 1.024 1601 E CA 0.186 56.567 56.400 -0.032 0.000 0.861 1601 E CB 0.269 29.953 29.700 -0.027 0.000 0.788 1601 E HN -0.067 nan 8.360 nan 0.000 0.521 1602 V N 3.742 123.648 119.914 -0.013 0.000 2.372 1602 V HA 0.110 4.230 4.120 -0.000 0.000 0.261 1602 V C -2.109 174.024 176.094 0.065 0.000 1.055 1602 V CA -1.661 60.654 62.300 0.025 0.000 0.930 1602 V CB 0.310 32.164 31.823 0.051 0.000 1.031 1602 V HN -0.025 nan 8.190 nan 0.000 0.479 1603 P HA 0.067 nan 4.420 nan 0.000 0.264 1603 P C -0.340 177.063 177.300 0.171 0.000 1.179 1603 P CA 0.268 63.366 63.100 -0.002 0.000 0.763 1603 P CB 0.350 31.979 31.700 -0.118 0.000 0.806 1604 R N 3.061 123.700 120.500 0.232 0.000 2.247 1604 R HA 0.416 4.756 4.340 -0.000 0.000 0.329 1604 R C -0.610 175.728 176.300 0.062 0.000 1.014 1604 R CA -0.579 55.639 56.100 0.197 0.000 0.907 1604 R CB 0.243 30.702 30.300 0.265 0.000 1.146 1604 R HN 0.386 nan 8.270 nan 0.000 0.499 1605 I N 2.238 122.747 120.570 -0.102 0.000 2.354 1605 I HA 0.313 4.483 4.170 -0.000 0.000 0.292 1605 I C 0.356 176.313 176.117 -0.267 0.000 0.989 1605 I CA -0.361 60.826 61.300 -0.189 0.000 1.188 1605 I CB 1.900 39.737 38.000 -0.272 0.000 1.342 1605 I HN 0.522 nan 8.210 nan 0.000 0.457 1606 A N 6.699 129.353 122.820 -0.276 0.000 2.328 1606 A HA 0.439 4.758 4.320 -0.000 0.000 0.284 1606 A C -0.204 177.321 177.584 -0.098 0.000 1.160 1606 A CA -0.450 51.429 52.037 -0.263 0.000 0.818 1606 A CB 0.429 18.956 19.000 -0.788 0.000 1.087 1606 A HN 0.707 nan 8.150 nan 0.000 0.504 1607 L N 5.921 127.206 121.223 0.104 0.000 2.401 1607 L HA 0.135 4.475 4.340 -0.000 0.000 0.283 1607 L C 0.925 177.935 176.870 0.233 0.000 1.151 1607 L CA 0.389 55.247 54.840 0.030 0.000 0.942 1607 L CB -0.069 41.890 42.059 -0.166 0.000 1.283 1607 L HN 0.670 nan 8.230 nan 0.000 0.442 1608 V N 3.662 123.669 119.914 0.155 0.000 2.245 1608 V HA -0.176 3.944 4.120 -0.000 0.000 0.233 1608 V C 1.205 177.390 176.094 0.152 0.000 1.028 1608 V CA 1.030 63.449 62.300 0.198 0.000 0.991 1608 V CB -0.414 31.446 31.823 0.062 0.000 0.640 1608 V HN 0.778 nan 8.190 nan 0.000 0.461 1609 D N 0.072 120.549 120.400 0.128 0.000 2.661 1609 D HA -0.063 4.577 4.640 -0.000 0.000 0.244 1609 D C 0.454 176.850 176.300 0.160 0.000 1.196 1609 D CA 1.265 55.353 54.000 0.146 0.000 0.881 1609 D CB 1.050 41.950 40.800 0.165 0.000 1.141 1609 D HN 0.535 nan 8.370 nan 0.000 0.530 1610 T N 2.972 117.557 114.554 0.052 0.000 3.636 1610 T HA 0.067 4.417 4.350 -0.000 0.000 0.279 1610 T C 0.864 175.352 174.700 -0.353 0.000 0.977 1610 T CA -0.128 61.856 62.100 -0.192 0.000 1.139 1610 T CB -0.123 68.433 68.868 -0.521 0.000 1.147 1610 T HN 0.319 nan 8.240 nan 0.000 0.442 1611 F N -0.400 119.693 119.950 0.238 0.000 2.531 1611 F HA 0.521 5.048 4.527 -0.000 0.000 0.273 1611 F C 0.180 176.117 175.800 0.229 0.000 0.960 1611 F CA -0.829 57.307 58.000 0.225 0.000 1.207 1611 F CB -0.030 39.148 39.000 0.298 0.000 1.012 1611 F HN 0.071 nan 8.300 nan 0.000 0.738 1612 Y N 1.072 121.511 120.300 0.232 0.000 2.340 1612 Y HA 0.356 4.906 4.550 -0.000 0.000 0.327 1612 Y C 0.382 176.350 175.900 0.113 0.000 1.321 1612 Y CA -1.952 56.239 58.100 0.152 0.000 1.433 1612 Y CB -0.109 38.437 38.460 0.143 0.000 1.373 1612 Y HN -0.149 nan 8.280 nan 0.000 0.538 1613 D N -0.068 120.487 120.400 0.259 0.000 2.357 1613 D HA 0.052 4.692 4.640 -0.000 0.000 0.242 1613 D C 0.516 176.911 176.300 0.158 0.000 1.153 1613 D CA 0.055 54.157 54.000 0.169 0.000 0.918 1613 D CB 0.934 41.810 40.800 0.127 0.000 1.181 1613 D HN 0.517 nan 8.370 nan 0.000 0.435 1614 E N 1.224 121.497 120.200 0.122 0.000 2.118 1614 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 1614 E C 1.604 178.241 176.600 0.062 0.000 0.992 1614 E CA 1.150 57.606 56.400 0.093 0.000 0.804 1614 E CB -0.076 29.672 29.700 0.081 0.000 0.741 1614 E HN 0.439 nan 8.360 nan 0.000 0.458 1615 K N 0.513 120.954 120.400 0.068 0.000 2.032 1615 K HA -0.168 4.152 4.320 -0.000 0.000 0.209 1615 K C 1.880 178.513 176.600 0.055 0.000 1.048 1615 K CA 1.478 57.798 56.287 0.055 0.000 0.927 1615 K CB -0.025 32.518 32.500 0.070 0.000 0.712 1615 K HN 0.020 nan 8.250 nan 0.000 0.441 1616 V N 1.456 121.428 119.914 0.097 0.000 2.255 1616 V HA -0.189 3.931 4.120 -0.000 0.000 0.243 1616 V C 1.968 178.100 176.094 0.064 0.000 1.038 1616 V CA 1.910 64.276 62.300 0.110 0.000 1.008 1616 V CB -0.492 31.459 31.823 0.213 0.000 0.645 1616 V HN 0.369 nan 8.190 nan 0.000 0.449 1617 E N 0.249 120.499 120.200 0.085 0.000 2.333 1617 E HA -0.156 4.194 4.350 -0.000 0.000 0.198 1617 E C 2.218 178.816 176.600 -0.002 0.000 1.007 1617 E CA 1.026 57.473 56.400 0.079 0.000 0.845 1617 E CB -0.225 29.574 29.700 0.166 0.000 0.766 1617 E HN 0.612 nan 8.360 nan 0.000 0.507 1618 A N 1.224 124.008 122.820 -0.060 0.000 1.855 1618 A HA -0.162 4.158 4.320 -0.000 0.000 0.215 1618 A C 2.576 179.987 177.584 -0.289 0.000 1.191 1618 A CA 1.676 53.605 52.037 -0.180 0.000 0.613 1618 A CB -0.926 17.990 19.000 -0.139 0.000 0.829 1618 A HN 0.224 nan 8.150 nan 0.000 0.442 1619 V N -2.228 117.548 119.914 -0.231 0.000 2.343 1619 V HA -0.316 3.804 4.120 -0.000 0.000 0.247 1619 V C 2.368 178.270 176.094 -0.320 0.000 1.051 1619 V CA 2.276 64.375 62.300 -0.336 0.000 1.036 1619 V CB -1.189 30.544 31.823 -0.150 0.000 0.654 1619 V HN 0.497 nan 8.190 nan 0.000 0.451 1620 M N 1.191 120.696 119.600 -0.158 0.000 2.082 1620 M HA -0.164 4.316 4.480 -0.000 0.000 0.258 1620 M C 2.564 178.761 176.300 -0.171 0.000 1.071 1620 M CA 2.771 58.028 55.300 -0.072 0.000 1.103 1620 M CB -0.792 31.841 32.600 0.055 0.000 1.307 1620 M HN 0.498 nan 8.290 nan 0.000 0.409 1621 A N 0.013 122.604 122.820 -0.382 0.000 2.024 1621 A HA -0.071 4.249 4.320 -0.000 0.000 0.220 1621 A C 2.283 179.522 177.584 -0.575 0.000 1.164 1621 A CA 1.958 53.482 52.037 -0.854 0.000 0.643 1621 A CB -0.854 17.345 19.000 -1.335 0.000 0.806 1621 A HN 0.563 nan 8.150 nan 0.000 0.451 1622 A N 0.810 123.305 122.820 -0.541 0.000 1.855 1622 A HA -0.044 4.276 4.320 -0.000 0.000 0.213 1622 A C 1.385 178.791 177.584 -0.296 0.000 1.195 1622 A CA 0.981 52.661 52.037 -0.595 0.000 0.610 1622 A CB -0.526 17.666 19.000 -1.347 0.000 0.837 1622 A HN 0.694 nan 8.150 nan 0.000 0.444 1623 E N 0.139 120.176 120.200 -0.271 0.000 2.222 1623 E HA 0.496 4.846 4.350 -0.000 0.000 0.312 1623 E C -0.311 176.297 176.600 0.014 0.000 1.263 1623 E CA 0.203 56.617 56.400 0.023 0.000 1.356 1623 E CB -0.620 29.129 29.700 0.082 0.000 1.180 1623 E HN 0.564 nan 8.360 nan 0.000 0.494 1624 A N 2.209 125.033 122.820 0.008 0.000 2.581 1624 A HA 0.287 4.607 4.320 -0.000 0.000 0.309 1624 A C 0.496 178.082 177.584 0.003 0.000 1.022 1624 A CA -0.497 51.551 52.037 0.019 0.000 0.833 1624 A CB -0.289 18.724 19.000 0.022 0.000 1.208 1624 A HN 0.805 nan 8.150 nan 0.000 0.388 1625 L N 0.021 121.272 121.223 0.047 0.000 5.218 1625 L HA -0.363 3.977 4.340 -0.000 0.000 0.447 1625 L C 1.784 178.715 176.870 0.102 0.000 1.040 1625 L CA 1.579 56.455 54.840 0.060 0.000 1.035 1625 L CB -2.281 39.806 42.059 0.047 0.000 1.762 1625 L HN 2.684 nan 8.230 nan 0.000 0.756 1626 G N 1.002 109.891 108.800 0.148 0.000 2.860 1626 G HA2 -0.470 3.490 3.960 -0.000 0.000 0.347 1626 G HA3 -0.470 3.490 3.960 -0.000 0.000 0.347 1626 G C 0.988 176.155 174.900 0.446 0.000 1.146 1626 G CA 1.419 46.721 45.100 0.337 0.000 1.064 1626 G HN 0.430 nan 8.290 nan 0.000 0.857 1627 K N 1.122 121.555 120.400 0.056 0.000 2.505 1627 K HA 0.133 4.453 4.320 -0.000 0.000 0.192 1627 K C 2.091 178.721 176.600 0.051 0.000 1.025 1627 K CA 0.324 56.498 56.287 -0.188 0.000 1.086 1627 K CB 0.237 32.474 32.500 -0.438 0.000 0.840 1627 K HN 0.386 nan 8.250 nan 0.000 0.514 1628 K N 0.086 120.564 120.400 0.130 0.000 2.356 1628 K HA 0.054 4.374 4.320 -0.000 0.000 0.195 1628 K C 0.493 177.202 176.600 0.181 0.000 1.037 1628 K CA -0.098 56.265 56.287 0.126 0.000 1.014 1628 K CB 0.166 32.722 32.500 0.093 0.000 0.815 1628 K HN -0.010 nan 8.250 nan 0.000 0.507 1629 L N 2.379 123.734 121.223 0.220 0.000 2.401 1629 L HA 0.067 4.407 4.340 -0.000 0.000 0.283 1629 L C 0.803 177.813 176.870 0.233 0.000 1.151 1629 L CA -0.010 54.910 54.840 0.134 0.000 0.942 1629 L CB -0.295 41.762 42.059 -0.004 0.000 1.283 1629 L HN -0.050 nan 8.230 nan 0.000 0.442 1630 F N 4.439 124.434 119.950 0.075 0.000 2.186 1630 F HA 0.271 4.798 4.527 -0.000 0.000 0.299 1630 F C 0.881 176.699 175.800 0.030 0.000 1.090 1630 F CA 0.497 58.552 58.000 0.091 0.000 1.307 1630 F CB 0.043 39.080 39.000 0.062 0.000 1.019 1630 F HN 0.533 nan 8.300 nan 0.000 0.489 1631 A N -0.784 121.843 122.820 -0.322 0.000 2.586 1631 A HA 0.617 4.937 4.320 -0.000 0.000 0.290 1631 A C -1.747 175.668 177.584 -0.281 0.000 1.086 1631 A CA -0.450 51.324 52.037 -0.438 0.000 0.665 1631 A CB 0.762 19.413 19.000 -0.581 0.000 1.279 1631 A HN -0.086 nan 8.150 nan 0.000 0.423 1632 V N 0.838 120.607 119.914 -0.241 0.000 2.555 1632 V HA 0.617 4.737 4.120 -0.000 0.000 0.302 1632 V C 0.089 176.141 176.094 -0.071 0.000 1.038 1632 V CA -0.586 61.593 62.300 -0.202 0.000 0.887 1632 V CB 1.764 33.446 31.823 -0.235 0.000 0.991 1632 V HN 0.855 nan 8.190 nan 0.000 0.434 1633 R N 4.520 125.001 120.500 -0.032 0.000 2.294 1633 R HA 0.579 4.919 4.340 -0.000 0.000 0.319 1633 R C -1.642 174.733 176.300 0.125 0.000 0.984 1633 R CA -0.687 55.481 56.100 0.113 0.000 0.861 1633 R CB 0.939 31.292 30.300 0.088 0.000 1.104 1633 R HN 0.435 nan 8.270 nan 0.000 0.451 1634 L N 5.142 126.479 121.223 0.190 0.000 2.305 1634 L HA 0.311 4.651 4.340 -0.000 0.000 0.284 1634 L C -0.329 176.764 176.870 0.372 0.000 1.013 1634 L CA -0.303 54.677 54.840 0.233 0.000 0.819 1634 L CB 1.476 43.627 42.059 0.153 0.000 1.227 1634 L HN 0.773 nan 8.230 nan 0.000 0.417 1635 D N 0.163 120.747 120.400 0.307 0.000 2.908 1635 D HA 0.026 4.666 4.640 -0.000 0.000 0.361 1635 D C -0.141 176.248 176.300 0.149 0.000 1.416 1635 D CA -0.405 53.735 54.000 0.234 0.000 0.796 1635 D CB 0.031 40.971 40.800 0.234 0.000 1.185 1635 D HN 0.268 nan 8.370 nan 0.000 0.451 1636 T N 2.450 117.115 114.554 0.185 0.000 2.819 1636 T HA 0.070 4.420 4.350 -0.000 0.000 0.282 1636 T C -2.264 172.431 174.700 -0.008 0.000 1.013 1636 T CA -0.065 62.103 62.100 0.114 0.000 1.159 1636 T CB 0.453 69.438 68.868 0.196 0.000 1.007 1636 T HN 0.153 nan 8.240 nan 0.000 0.514 1637 P HA 0.160 nan 4.420 nan 0.000 0.269 1637 P C 0.692 177.969 177.300 -0.038 0.000 1.209 1637 P CA -0.179 62.907 63.100 -0.023 0.000 0.776 1637 P CB 0.491 32.179 31.700 -0.020 0.000 0.876 1638 S N 1.165 116.836 115.700 -0.049 0.000 2.387 1638 S HA -0.182 4.288 4.470 -0.000 0.000 0.230 1638 S C 1.856 176.440 174.600 -0.026 0.000 1.035 1638 S CA 2.029 60.199 58.200 -0.050 0.000 1.014 1638 S CB -0.935 62.239 63.200 -0.043 0.000 0.836 1638 S HN 0.700 nan 8.310 nan 0.000 0.466 1639 S N 1.145 116.836 115.700 -0.015 0.000 2.442 1639 S HA 0.019 4.489 4.470 -0.000 0.000 0.236 1639 S C 1.596 176.200 174.600 0.006 0.000 1.007 1639 S CA 0.508 58.705 58.200 -0.004 0.000 0.965 1639 S CB -0.143 63.056 63.200 -0.003 0.000 0.773 1639 S HN 0.311 nan 8.310 nan 0.000 0.504 1640 R N 0.767 121.273 120.500 0.010 0.000 2.282 1640 R HA 0.278 4.618 4.340 -0.000 0.000 0.195 1640 R C 0.373 176.701 176.300 0.047 0.000 0.909 1640 R CA 0.013 56.132 56.100 0.032 0.000 1.039 1640 R CB -0.233 30.094 30.300 0.044 0.000 1.015 1640 R HN 0.395 nan 8.270 nan 0.000 0.513 1641 R N 1.486 122.001 120.500 0.024 0.000 2.878 1641 R HA 0.093 4.433 4.340 -0.000 0.000 0.239 1641 R C 1.125 177.457 176.300 0.054 0.000 1.515 1641 R CA 0.111 56.238 56.100 0.046 0.000 1.210 1641 R CB 0.090 30.353 30.300 -0.060 0.000 1.209 1641 R HN 0.187 nan 8.270 nan 0.000 0.610 1642 G N 1.735 110.577 108.800 0.070 0.000 2.404 1642 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.214 1642 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.214 1642 G C 0.690 175.630 174.900 0.067 0.000 1.189 1642 G CA 0.451 45.583 45.100 0.053 0.000 0.789 1642 G HN 0.426 nan 8.290 nan 0.000 0.533 1643 N N -0.978 117.781 118.700 0.098 0.000 2.653 1643 N HA 0.150 4.890 4.740 -0.000 0.000 0.261 1643 N C -0.120 175.495 175.510 0.176 0.000 1.216 1643 N CA -0.709 52.405 53.050 0.108 0.000 0.784 1643 N CB 0.847 39.370 38.487 0.059 0.000 1.327 1643 N HN -0.077 nan 8.380 nan 0.000 0.539 1644 F N 3.165 123.124 119.950 0.015 0.000 2.091 1644 F HA -0.119 4.408 4.527 -0.000 0.000 0.299 1644 F C 2.392 178.200 175.800 0.013 0.000 1.103 1644 F CA 1.601 59.612 58.000 0.019 0.000 1.228 1644 F CB -0.015 39.001 39.000 0.027 0.000 0.984 1644 F HN 0.564 nan 8.300 nan 0.000 0.477 1645 R N 0.763 121.302 120.500 0.065 0.000 2.115 1645 R HA -0.220 4.120 4.340 -0.000 0.000 0.239 1645 R C 2.265 178.518 176.300 -0.078 0.000 1.133 1645 R CA 2.352 58.424 56.100 -0.046 0.000 0.935 1645 R CB -0.597 29.709 30.300 0.010 0.000 0.853 1645 R HN 0.224 nan 8.270 nan 0.000 0.433 1646 K N -0.117 120.267 120.400 -0.026 0.000 2.044 1646 K HA -0.151 4.169 4.320 -0.000 0.000 0.210 1646 K C 2.170 178.741 176.600 -0.048 0.000 1.049 1646 K CA 2.080 58.348 56.287 -0.033 0.000 0.927 1646 K CB -0.312 32.182 32.500 -0.010 0.000 0.713 1646 K HN 0.280 nan 8.250 nan 0.000 0.443 1647 I N 0.996 121.545 120.570 -0.035 0.000 2.208 1647 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 1647 I C 2.249 178.290 176.117 -0.127 0.000 1.097 1647 I CA 1.320 62.597 61.300 -0.039 0.000 1.363 1647 I CB -0.342 37.685 38.000 0.045 0.000 1.051 1647 I HN 0.168 nan 8.210 nan 0.000 0.413 1648 I N 0.589 120.999 120.570 -0.267 0.000 2.286 1648 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 1648 I C 2.447 178.472 176.117 -0.153 0.000 1.115 1648 I CA 1.480 62.602 61.300 -0.298 0.000 1.392 1648 I CB -0.407 37.341 38.000 -0.421 0.000 1.065 1648 I HN 0.286 nan 8.210 nan 0.000 0.418 1649 E N 0.640 120.776 120.200 -0.105 0.000 2.028 1649 E HA -0.283 4.067 4.350 -0.000 0.000 0.191 1649 E C 2.056 178.666 176.600 0.016 0.000 0.988 1649 E CA 1.254 57.629 56.400 -0.041 0.000 0.799 1649 E CB -0.206 29.468 29.700 -0.043 0.000 0.755 1649 E HN 0.467 nan 8.360 nan 0.000 0.447 1650 E N 0.940 121.140 120.200 -0.000 0.000 2.130 1650 E HA -0.220 4.130 4.350 -0.000 0.000 0.196 1650 E C 2.092 178.748 176.600 0.092 0.000 0.998 1650 E CA 1.356 57.785 56.400 0.048 0.000 0.806 1650 E CB 0.116 29.824 29.700 0.014 0.000 0.738 1650 E HN 0.043 nan 8.360 nan 0.000 0.459 1651 V N 0.831 120.757 119.914 0.019 0.000 2.307 1651 V HA -0.245 3.875 4.120 -0.000 0.000 0.245 1651 V C 2.417 178.507 176.094 -0.006 0.000 1.045 1651 V CA 2.170 64.466 62.300 -0.008 0.000 1.024 1651 V CB -0.541 31.244 31.823 -0.064 0.000 0.651 1651 V HN 0.269 nan 8.190 nan 0.000 0.449 1652 R N -0.896 119.599 120.500 -0.008 0.000 2.105 1652 R HA -0.227 4.113 4.340 -0.000 0.000 0.239 1652 R C 2.219 178.556 176.300 0.061 0.000 1.135 1652 R CA 2.099 58.193 56.100 -0.011 0.000 0.967 1652 R CB -0.408 29.889 30.300 -0.005 0.000 0.861 1652 R HN 0.721 nan 8.270 nan 0.000 0.442 1653 W N 1.997 123.261 121.300 -0.060 0.000 2.381 1653 W HA -0.196 4.464 4.660 -0.000 0.000 0.321 1653 W C 1.435 177.939 176.519 -0.025 0.000 1.196 1653 W CA 1.348 58.671 57.345 -0.038 0.000 1.304 1653 W CB -0.201 29.242 29.460 -0.029 0.000 1.166 1653 W HN 0.013 nan 8.180 nan 0.000 0.473 1654 E N 0.761 121.063 120.200 0.171 0.000 2.233 1654 E HA -0.219 4.131 4.350 -0.000 0.000 0.199 1654 E C 2.189 178.759 176.600 -0.049 0.000 1.004 1654 E CA 1.682 58.109 56.400 0.045 0.000 0.819 1654 E CB -0.744 29.015 29.700 0.099 0.000 0.738 1654 E HN 0.349 nan 8.360 nan 0.000 0.478 1655 L N -0.272 120.910 121.223 -0.069 0.000 2.102 1655 L HA -0.065 4.275 4.340 -0.000 0.000 0.202 1655 L C 2.463 179.288 176.870 -0.074 0.000 1.076 1655 L CA 0.998 55.803 54.840 -0.058 0.000 0.761 1655 L CB -0.358 41.605 42.059 -0.159 0.000 0.921 1655 L HN 0.058 nan 8.230 nan 0.000 0.444 1656 K N 0.239 120.529 120.400 -0.183 0.000 2.032 1656 K HA -0.183 4.137 4.320 -0.000 0.000 0.209 1656 K C 2.026 178.419 176.600 -0.344 0.000 1.048 1656 K CA 1.553 57.693 56.287 -0.245 0.000 0.927 1656 K CB -0.059 32.285 32.500 -0.261 0.000 0.712 1656 K HN 0.043 nan 8.250 nan 0.000 0.441 1657 V N 1.605 121.195 119.914 -0.540 0.000 2.287 1657 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 1657 V C 1.783 177.718 176.094 -0.266 0.000 1.053 1657 V CA 1.823 63.811 62.300 -0.520 0.000 1.027 1657 V CB -0.428 31.015 31.823 -0.633 0.000 0.646 1657 V HN 0.345 nan 8.190 nan 0.000 0.447 1658 R N -0.012 120.391 120.500 -0.162 0.000 2.541 1658 R HA 0.214 4.554 4.340 -0.000 0.000 0.245 1658 R C 1.564 177.637 176.300 -0.378 0.000 1.154 1658 R CA 0.616 56.644 56.100 -0.120 0.000 1.179 1658 R CB -0.457 29.942 30.300 0.165 0.000 1.189 1658 R HN 0.605 nan 8.270 nan 0.000 0.526 1659 G N 0.394 109.019 108.800 -0.292 0.000 2.196 1659 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.268 1659 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.268 1659 G C -0.215 174.528 174.900 -0.261 0.000 0.975 1659 G CA 0.218 45.148 45.100 -0.283 0.000 0.648 1659 G HN 0.436 nan 8.290 nan 0.000 0.538 1660 Y N 0.825 121.043 120.300 -0.136 0.000 2.452 1660 Y HA 0.504 5.054 4.550 -0.000 0.000 0.348 1660 Y C 0.874 176.482 175.900 -0.488 0.000 0.985 1660 Y CA -0.278 57.547 58.100 -0.459 0.000 1.214 1660 Y CB 1.049 39.127 38.460 -0.637 0.000 1.136 1660 Y HN 0.104 nan 8.280 nan 0.000 0.523 1661 D N 0.785 121.065 120.400 -0.199 0.000 2.520 1661 D HA 0.010 4.650 4.640 -0.000 0.000 0.223 1661 D C 1.020 177.325 176.300 0.008 0.000 1.186 1661 D CA -0.077 53.883 54.000 -0.066 0.000 0.821 1661 D CB 0.011 40.849 40.800 0.063 0.000 1.072 1661 D HN 0.754 nan 8.370 nan 0.000 0.518 1662 W N 1.210 122.519 121.300 0.015 0.000 2.640 1662 W HA 0.190 4.850 4.660 -0.000 0.000 0.268 1662 W C 0.637 177.144 176.519 -0.020 0.000 1.263 1662 W CA -0.295 57.059 57.345 0.015 0.000 1.344 1662 W CB -0.594 28.890 29.460 0.040 0.000 1.093 1662 W HN -0.196 nan 8.180 nan 0.000 0.603 1663 V N 2.404 121.814 119.914 -0.840 0.000 2.493 1663 V HA 0.191 4.311 4.120 -0.000 0.000 0.292 1663 V C 0.244 176.110 176.094 -0.379 0.000 1.016 1663 V CA -1.043 60.897 62.300 -0.601 0.000 1.097 1663 V CB -0.154 31.233 31.823 -0.726 0.000 0.947 1663 V HN 0.154 nan 8.190 nan 0.000 0.479 1664 K N 5.117 125.301 120.400 -0.360 0.000 2.109 1664 K HA 0.630 4.950 4.320 -0.000 0.000 0.243 1664 K C -0.547 175.900 176.600 -0.255 0.000 1.006 1664 K CA -0.907 55.205 56.287 -0.292 0.000 0.917 1664 K CB 1.151 33.448 32.500 -0.338 0.000 1.081 1664 K HN 0.588 nan 8.250 nan 0.000 0.468 1665 I N 2.426 122.877 120.570 -0.198 0.000 2.328 1665 I HA 0.202 4.372 4.170 -0.000 0.000 0.287 1665 I C -0.772 175.263 176.117 -0.136 0.000 1.012 1665 I CA -0.336 60.864 61.300 -0.167 0.000 1.195 1665 I CB 0.091 37.975 38.000 -0.194 0.000 1.350 1665 I HN 0.466 nan 8.210 nan 0.000 0.464 1666 F N 8.206 128.041 119.950 -0.192 0.000 2.427 1666 F HA 0.606 5.133 4.527 -0.000 0.000 0.346 1666 F C -0.172 175.595 175.800 -0.056 0.000 1.120 1666 F CA -0.712 57.212 58.000 -0.126 0.000 1.033 1666 F CB 1.327 40.291 39.000 -0.060 0.000 1.126 1666 F HN 0.246 nan 8.300 nan 0.000 0.462 1667 V N 2.757 122.528 119.914 -0.239 0.000 2.864 1667 V HA 0.976 5.096 4.120 -0.000 0.000 0.314 1667 V C -0.857 175.310 176.094 0.121 0.000 1.073 1667 V CA -0.262 62.086 62.300 0.080 0.000 0.956 1667 V CB 1.342 33.245 31.823 0.132 0.000 1.023 1667 V HN 1.009 nan 8.190 nan 0.000 0.435 1668 S N 0.586 116.471 115.700 0.309 0.000 2.565 1668 S HA 0.938 5.408 4.470 -0.000 0.000 0.269 1668 S C -0.264 174.477 174.600 0.234 0.000 1.153 1668 S CA -0.152 58.229 58.200 0.303 0.000 0.835 1668 S CB 1.203 64.719 63.200 0.525 0.000 1.122 1668 S HN 2.912 nan 8.310 nan 0.000 0.462 1669 G N -0.050 108.855 108.800 0.176 0.000 3.084 1669 G HA2 0.473 4.433 3.960 -0.000 0.000 0.543 1669 G HA3 0.473 4.433 3.960 -0.000 0.000 0.543 1669 G C 0.604 175.503 174.900 -0.001 0.000 1.239 1669 G CA -0.032 45.118 45.100 0.085 0.000 1.190 1669 G HN 2.348 nan 8.290 nan 0.000 0.549 1670 G N 0.187 109.001 108.800 0.023 0.000 2.101 1670 G HA2 0.239 4.199 3.960 -0.000 0.000 0.247 1670 G HA3 0.239 4.199 3.960 -0.000 0.000 0.247 1670 G C 0.195 175.069 174.900 -0.043 0.000 0.740 1670 G CA 1.304 46.391 45.100 -0.022 0.000 1.130 1670 G HN 2.147 nan 8.290 nan 0.000 0.342 1671 L N -0.939 120.272 121.223 -0.020 0.000 2.445 1671 L HA 0.947 5.287 4.340 -0.000 0.000 0.262 1671 L C -0.364 176.480 176.870 -0.044 0.000 0.974 1671 L CA -1.503 53.323 54.840 -0.024 0.000 0.822 1671 L CB 2.089 44.159 42.059 0.018 0.000 1.339 1671 L HN 0.247 nan 8.230 nan 0.000 0.409 1672 D N 0.020 120.390 120.400 -0.051 0.000 2.668 1672 D HA 0.349 4.989 4.640 -0.000 0.000 0.249 1672 D C 0.489 176.730 176.300 -0.098 0.000 1.150 1672 D CA -0.429 53.532 54.000 -0.064 0.000 1.090 1672 D CB 0.425 41.206 40.800 -0.031 0.000 1.244 1672 D HN 0.643 nan 8.370 nan 0.000 0.636 1673 E N -0.048 120.096 120.200 -0.093 0.000 2.012 1673 E HA -0.225 4.125 4.350 -0.000 0.000 0.197 1673 E C 1.687 178.234 176.600 -0.088 0.000 1.007 1673 E CA 1.340 57.667 56.400 -0.122 0.000 0.816 1673 E CB -0.094 29.542 29.700 -0.106 0.000 0.762 1673 E HN 0.645 nan 8.360 nan 0.000 0.451 1674 E N 0.886 121.058 120.200 -0.047 0.000 2.114 1674 E HA -0.271 4.079 4.350 -0.000 0.000 0.199 1674 E C 1.874 178.466 176.600 -0.014 0.000 1.008 1674 E CA 1.172 57.557 56.400 -0.026 0.000 0.810 1674 E CB 0.176 29.869 29.700 -0.012 0.000 0.739 1674 E HN -0.015 nan 8.360 nan 0.000 0.456 1675 K N 0.270 120.662 120.400 -0.013 0.000 2.097 1675 K HA -0.054 4.266 4.320 -0.000 0.000 0.205 1675 K C 2.178 178.809 176.600 0.052 0.000 1.050 1675 K CA 0.752 57.054 56.287 0.024 0.000 0.938 1675 K CB -0.211 32.298 32.500 0.016 0.000 0.718 1675 K HN 0.336 nan 8.250 nan 0.000 0.442 1676 I N 0.820 121.375 120.570 -0.026 0.000 2.406 1676 I HA -0.213 3.957 4.170 -0.000 0.000 0.249 1676 I C 2.013 178.115 176.117 -0.025 0.000 1.122 1676 I CA 0.949 62.209 61.300 -0.068 0.000 1.431 1676 I CB -0.066 37.682 38.000 -0.420 0.000 1.087 1676 I HN 0.101 nan 8.210 nan 0.000 0.424 1677 K N 1.010 121.379 120.400 -0.052 0.000 2.152 1677 K HA -0.208 4.112 4.320 -0.000 0.000 0.206 1677 K C 1.442 178.054 176.600 0.020 0.000 1.048 1677 K CA 1.518 57.790 56.287 -0.025 0.000 0.933 1677 K CB -0.179 32.302 32.500 -0.032 0.000 0.721 1677 K HN 0.497 nan 8.250 nan 0.000 0.447 1678 E N 0.275 120.497 120.200 0.038 0.000 2.403 1678 E HA 0.016 4.366 4.350 -0.000 0.000 0.187 1678 E C 1.033 177.676 176.600 0.072 0.000 1.073 1678 E CA 0.278 56.708 56.400 0.050 0.000 0.888 1678 E CB 0.174 29.904 29.700 0.049 0.000 1.035 1678 E HN 0.293 nan 8.360 nan 0.000 0.471 1679 I N -0.049 120.581 120.570 0.100 0.000 4.661 1679 I HA -0.056 4.114 4.170 -0.000 0.000 0.372 1679 I C 1.238 177.436 176.117 0.135 0.000 1.209 1679 I CA 0.049 61.412 61.300 0.105 0.000 1.313 1679 I CB 1.052 39.146 38.000 0.157 0.000 1.949 1679 I HN -0.021 nan 8.210 nan 0.000 0.651 1680 V N 0.203 120.233 119.914 0.194 0.000 2.252 1680 V HA -0.285 3.835 4.120 -0.000 0.000 0.249 1680 V C 1.454 177.611 176.094 0.105 0.000 1.056 1680 V CA 1.965 64.422 62.300 0.260 0.000 1.022 1680 V CB -0.737 31.186 31.823 0.167 0.000 0.641 1680 V HN 0.352 nan 8.190 nan 0.000 0.445 1681 D N -0.196 120.239 120.400 0.058 0.000 2.379 1681 D HA 0.025 4.665 4.640 -0.000 0.000 0.243 1681 D C 1.064 177.358 176.300 -0.009 0.000 1.088 1681 D CA 0.692 54.706 54.000 0.024 0.000 0.925 1681 D CB 0.510 41.323 40.800 0.022 0.000 0.888 1681 D HN 0.463 nan 8.370 nan 0.000 0.529 1682 V N -0.438 119.453 119.914 -0.038 0.000 3.432 1682 V HA 0.025 4.145 4.120 -0.000 0.000 0.290 1682 V C 0.138 176.144 176.094 -0.146 0.000 1.591 1682 V CA -0.209 62.044 62.300 -0.078 0.000 1.069 1682 V CB 1.395 33.172 31.823 -0.076 0.000 0.892 1682 V HN 0.009 nan 8.190 nan 0.000 0.436 1683 V N -3.380 116.419 119.914 -0.192 0.000 2.769 1683 V HA 0.676 4.796 4.120 -0.000 0.000 0.312 1683 V C 0.257 176.140 176.094 -0.351 0.000 1.061 1683 V CA -0.355 61.735 62.300 -0.351 0.000 0.931 1683 V CB 2.128 33.591 31.823 -0.600 0.000 1.010 1683 V HN 0.130 nan 8.190 nan 0.000 0.433 1684 D N 2.026 122.223 120.400 -0.339 0.000 2.269 1684 D HA 0.515 5.155 4.640 -0.000 0.000 0.220 1684 D C 0.700 176.847 176.300 -0.256 0.000 0.962 1684 D CA 1.551 55.419 54.000 -0.219 0.000 0.884 1684 D CB 0.342 41.061 40.800 -0.135 0.000 1.023 1684 D HN 1.038 nan 8.370 nan 0.000 0.484 1685 A N -0.263 122.286 122.820 -0.453 0.000 2.486 1685 A HA 0.606 4.926 4.320 -0.000 0.000 0.300 1685 A C -1.613 175.337 177.584 -1.058 0.000 1.048 1685 A CA -0.643 51.098 52.037 -0.492 0.000 0.696 1685 A CB 0.910 19.899 19.000 -0.018 0.000 1.278 1685 A HN 0.021 nan 8.150 nan 0.000 0.405 1686 F N 0.701 120.297 119.950 -0.590 0.000 2.450 1686 F HA 0.614 5.141 4.527 -0.000 0.000 0.332 1686 F C 1.046 176.520 175.800 -0.542 0.000 1.093 1686 F CA -0.297 57.370 58.000 -0.555 0.000 1.003 1686 F CB 2.454 41.264 39.000 -0.317 0.000 1.151 1686 F HN 0.665 nan 8.300 nan 0.000 0.474 1687 G N 2.243 110.902 108.800 -0.235 0.000 2.603 1687 G HA2 0.552 4.512 3.960 -0.000 0.000 0.324 1687 G HA3 0.552 4.512 3.960 -0.000 0.000 0.324 1687 G C -1.489 173.295 174.900 -0.193 0.000 1.178 1687 G CA -0.486 44.380 45.100 -0.389 0.000 1.023 1687 G HN 0.467 nan 8.290 nan 0.000 0.482 1688 V N 2.510 122.281 119.914 -0.238 0.000 2.435 1688 V HA 0.733 4.853 4.120 -0.000 0.000 0.290 1688 V C 0.988 177.119 176.094 0.061 0.000 1.030 1688 V CA 0.312 62.581 62.300 -0.050 0.000 0.881 1688 V CB 1.369 33.145 31.823 -0.077 0.000 0.983 1688 V HN 0.736 nan 8.190 nan 0.000 0.445 1689 G N 2.832 111.716 108.800 0.141 0.000 2.968 1689 G HA2 0.345 4.305 3.960 -0.000 0.000 0.206 1689 G HA3 0.345 4.305 3.960 -0.000 0.000 0.206 1689 G C 1.373 176.338 174.900 0.109 0.000 2.051 1689 G CA 0.531 45.769 45.100 0.230 0.000 0.773 1689 G HN 0.887 nan 8.290 nan 0.000 0.741 1690 G N 1.042 109.806 108.800 -0.059 0.000 2.505 1690 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.220 1690 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.220 1690 G C 1.966 176.828 174.900 -0.063 0.000 1.145 1690 G CA 1.931 46.921 45.100 -0.184 0.000 0.761 1690 G HN 0.921 nan 8.290 nan 0.000 0.571 1691 A N -0.231 122.564 122.820 -0.042 0.000 2.186 1691 A HA 0.117 4.437 4.320 -0.000 0.000 0.219 1691 A C 2.235 179.830 177.584 0.019 0.000 1.159 1691 A CA 1.358 53.387 52.037 -0.013 0.000 0.680 1691 A CB -0.201 18.785 19.000 -0.023 0.000 0.787 1691 A HN 0.477 nan 8.150 nan 0.000 0.467 1692 I N -2.466 118.122 120.570 0.030 0.000 3.443 1692 I HA 0.078 4.248 4.170 -0.000 0.000 0.277 1692 I C 2.680 178.844 176.117 0.077 0.000 1.169 1692 I CA 0.713 62.044 61.300 0.052 0.000 1.419 1692 I CB -0.263 37.764 38.000 0.045 0.000 1.331 1692 I HN 0.206 nan 8.210 nan 0.000 0.458 1693 A N 0.294 123.169 122.820 0.092 0.000 1.898 1693 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 1693 A C 2.071 179.708 177.584 0.088 0.000 1.181 1693 A CA 1.736 53.840 52.037 0.111 0.000 0.620 1693 A CB -0.498 18.596 19.000 0.157 0.000 0.819 1693 A HN 0.348 nan 8.150 nan 0.000 0.442 1694 S N 0.165 115.899 115.700 0.057 0.000 2.679 1694 S HA 0.517 4.987 4.470 -0.000 0.000 0.233 1694 S C 0.752 175.366 174.600 0.024 0.000 0.951 1694 S CA 0.101 58.321 58.200 0.033 0.000 0.973 1694 S CB -0.504 62.688 63.200 -0.012 0.000 0.778 1694 S HN 0.733 nan 8.310 nan 0.000 0.477 1695 A N 2.116 124.964 122.820 0.047 0.000 2.492 1695 A HA 0.220 4.540 4.320 -0.000 0.000 0.236 1695 A C 0.397 177.999 177.584 0.030 0.000 1.078 1695 A CA 0.033 52.104 52.037 0.055 0.000 0.773 1695 A CB 0.200 19.261 19.000 0.103 0.000 1.023 1695 A HN 0.431 nan 8.150 nan 0.000 0.504 1696 K N 1.694 122.089 120.400 -0.007 0.000 2.249 1696 K HA 0.347 4.667 4.320 -0.000 0.000 0.280 1696 K C -2.505 174.082 176.600 -0.021 0.000 1.033 1696 K CA -1.327 54.933 56.287 -0.045 0.000 0.946 1696 K CB 0.243 32.666 32.500 -0.128 0.000 1.005 1696 K HN 0.432 nan 8.250 nan 0.000 0.469 1697 P HA -0.027 nan 4.420 nan 0.000 0.271 1697 P C -0.798 176.473 177.300 -0.048 0.000 1.233 1697 P CA -0.375 62.730 63.100 0.008 0.000 0.789 1697 P CB 0.492 32.206 31.700 0.024 0.000 0.951 1698 V N 1.551 121.418 119.914 -0.078 0.000 2.383 1698 V HA 0.075 4.195 4.120 -0.000 0.000 0.275 1698 V C 0.542 176.474 176.094 -0.271 0.000 1.036 1698 V CA -0.142 62.006 62.300 -0.254 0.000 0.889 1698 V CB 0.794 32.319 31.823 -0.497 0.000 0.985 1698 V HN 0.471 nan 8.190 nan 0.000 0.459 1699 D N 4.634 124.918 120.400 -0.194 0.000 2.606 1699 D HA 0.032 4.671 4.640 -0.000 0.000 0.234 1699 D C -0.109 176.168 176.300 -0.039 0.000 1.140 1699 D CA 0.463 54.413 54.000 -0.082 0.000 1.182 1699 D CB -0.568 40.193 40.800 -0.065 0.000 1.130 1699 D HN 0.394 nan 8.370 nan 0.000 0.485 1700 F N 0.978 120.955 119.950 0.045 0.000 2.427 1700 F HA 0.413 4.940 4.527 -0.000 0.000 0.352 1700 F C 0.938 176.762 175.800 0.041 0.000 1.100 1700 F CA -0.701 57.318 58.000 0.032 0.000 1.191 1700 F CB 1.043 40.054 39.000 0.018 0.000 1.128 1700 F HN 0.151 nan 8.300 nan 0.000 0.533 1701 A N 5.170 128.158 122.820 0.280 0.000 2.435 1701 A HA 0.609 4.929 4.320 -0.000 0.000 0.304 1701 A C -1.677 175.989 177.584 0.138 0.000 1.064 1701 A CA -0.729 51.416 52.037 0.179 0.000 0.727 1701 A CB 1.726 20.805 19.000 0.132 0.000 1.284 1701 A HN 0.638 nan 8.150 nan 0.000 0.415 1702 L N 2.663 123.969 121.223 0.139 0.000 2.262 1702 L HA 0.518 4.858 4.340 -0.000 0.000 0.288 1702 L C -1.522 175.426 176.870 0.130 0.000 1.035 1702 L CA 0.009 54.923 54.840 0.123 0.000 0.820 1702 L CB 0.568 42.712 42.059 0.142 0.000 1.204 1702 L HN 0.652 nan 8.230 nan 0.000 0.424 1703 D N 6.373 126.835 120.400 0.104 0.000 2.757 1703 D HA 0.316 4.956 4.640 -0.000 0.000 0.249 1703 D C 0.247 176.595 176.300 0.081 0.000 1.168 1703 D CA -0.250 53.801 54.000 0.086 0.000 0.870 1703 D CB 2.422 43.264 40.800 0.069 0.000 1.411 1703 D HN 0.532 nan 8.370 nan 0.000 0.525 1704 I N -0.231 120.379 120.570 0.067 0.000 2.581 1704 I HA 0.032 4.202 4.170 -0.000 0.000 0.285 1704 I C 1.305 177.452 176.117 0.049 0.000 1.129 1704 I CA -0.387 60.955 61.300 0.069 0.000 1.397 1704 I CB 0.331 38.351 38.000 0.033 0.000 1.399 1704 I HN 0.148 nan 8.210 nan 0.000 0.537 1705 V N 1.295 121.242 119.914 0.054 0.000 3.578 1705 V HA 0.406 4.526 4.120 -0.000 0.000 0.290 1705 V C 0.443 176.560 176.094 0.039 0.000 1.376 1705 V CA 0.254 62.581 62.300 0.045 0.000 1.083 1705 V CB -0.478 31.373 31.823 0.046 0.000 0.911 1705 V HN 0.946 nan 8.190 nan 0.000 0.433 1706 E N -0.164 120.062 120.200 0.043 0.000 2.388 1706 E HA 0.588 4.938 4.350 -0.000 0.000 0.289 1706 E C -2.076 174.553 176.600 0.049 0.000 0.944 1706 E CA -0.468 55.956 56.400 0.038 0.000 0.792 1706 E CB 2.879 32.597 29.700 0.030 0.000 1.239 1706 E HN 0.103 nan 8.360 nan 0.000 0.412 1707 V N 3.974 123.913 119.914 0.041 0.000 2.409 1707 V HA 0.290 4.410 4.120 -0.000 0.000 0.290 1707 V C -0.211 175.907 176.094 0.041 0.000 1.017 1707 V CA -0.590 61.737 62.300 0.046 0.000 0.841 1707 V CB 1.239 33.081 31.823 0.032 0.000 1.003 1707 V HN 0.972 nan 8.190 nan 0.000 0.426 1708 E N 3.696 123.924 120.200 0.048 0.000 2.287 1708 E HA -0.199 4.151 4.350 -0.000 0.000 0.229 1708 E C 1.243 177.863 176.600 0.033 0.000 1.194 1708 E CA 1.104 57.528 56.400 0.041 0.000 0.704 1708 E CB -1.186 28.535 29.700 0.035 0.000 1.216 1708 E HN 1.630 nan 8.360 nan 0.000 0.381 1709 G N -0.388 108.432 108.800 0.033 0.000 2.196 1709 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.268 1709 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.268 1709 G C 0.115 175.029 174.900 0.023 0.000 0.975 1709 G CA 0.861 45.977 45.100 0.026 0.000 0.648 1709 G HN 0.175 nan 8.290 nan 0.000 0.538 1710 K N 0.707 121.122 120.400 0.025 0.000 2.213 1710 K HA 0.440 4.760 4.320 -0.000 0.000 0.270 1710 K C -2.782 173.832 176.600 0.024 0.000 1.002 1710 K CA -2.207 54.093 56.287 0.023 0.000 0.868 1710 K CB 1.933 34.446 32.500 0.021 0.000 1.093 1710 K HN -0.016 nan 8.250 nan 0.000 0.454 1711 P HA 0.273 nan 4.420 nan 0.000 0.274 1711 P C -0.580 176.736 177.300 0.026 0.000 1.291 1711 P CA 0.208 63.323 63.100 0.026 0.000 0.815 1711 P CB 0.254 31.970 31.700 0.026 0.000 0.897 1712 I N 2.710 123.296 120.570 0.027 0.000 2.685 1712 I HA 0.633 4.803 4.170 -0.000 0.000 0.289 1712 I C -0.835 175.297 176.117 0.026 0.000 1.292 1712 I CA -0.588 60.727 61.300 0.024 0.000 1.050 1712 I CB 2.189 40.200 38.000 0.018 0.000 1.301 1712 I HN 0.249 nan 8.210 nan 0.000 0.425 1713 A N 5.072 127.909 122.820 0.029 0.000 2.572 1713 A HA 0.787 5.107 4.320 -0.000 0.000 0.295 1713 A C -0.990 176.612 177.584 0.031 0.000 1.072 1713 A CA -0.859 51.197 52.037 0.032 0.000 0.691 1713 A CB 1.778 20.805 19.000 0.045 0.000 1.291 1713 A HN 0.629 nan 8.150 nan 0.000 0.404 1714 K N 0.877 121.294 120.400 0.029 0.000 2.143 1714 K HA 0.422 4.742 4.320 -0.000 0.000 0.239 1714 K C -0.114 176.509 176.600 0.039 0.000 1.048 1714 K CA -0.268 56.036 56.287 0.029 0.000 0.867 1714 K CB 0.093 32.608 32.500 0.026 0.000 1.088 1714 K HN 0.584 nan 8.250 nan 0.000 0.510 1715 R N -0.118 120.404 120.500 0.037 0.000 2.585 1715 R HA 0.175 4.515 4.340 -0.000 0.000 0.275 1715 R C 0.916 177.249 176.300 0.055 0.000 1.018 1715 R CA 1.134 57.259 56.100 0.042 0.000 1.072 1715 R CB -0.455 29.865 30.300 0.035 0.000 0.953 1715 R HN 0.939 nan 8.270 nan 0.000 0.419 1716 G N 1.235 110.077 108.800 0.069 0.000 2.168 1716 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.263 1716 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.263 1716 G C -0.008 174.964 174.900 0.120 0.000 0.977 1716 G CA 0.212 45.371 45.100 0.097 0.000 0.659 1716 G HN 0.428 nan 8.290 nan 0.000 0.533 1717 K N 0.199 120.658 120.400 0.099 0.000 2.259 1717 K HA 0.676 4.996 4.320 -0.000 0.000 0.252 1717 K C 0.548 177.215 176.600 0.111 0.000 0.936 1717 K CA -0.931 55.415 56.287 0.098 0.000 0.810 1717 K CB 1.191 33.731 32.500 0.067 0.000 1.143 1717 K HN 0.186 nan 8.250 nan 0.000 0.427 1718 L N 1.496 122.800 121.223 0.136 0.000 2.397 1718 L HA 0.236 4.576 4.340 -0.000 0.000 0.271 1718 L C 0.842 177.765 176.870 0.088 0.000 1.148 1718 L CA -0.136 54.780 54.840 0.127 0.000 0.825 1718 L CB 1.194 43.353 42.059 0.167 0.000 1.117 1718 L HN 0.475 nan 8.230 nan 0.000 0.456 1719 S N 0.621 116.365 115.700 0.073 0.000 2.593 1719 S HA 0.838 5.308 4.470 -0.000 0.000 0.297 1719 S C -0.079 174.551 174.600 0.050 0.000 1.112 1719 S CA 0.264 58.497 58.200 0.055 0.000 1.043 1719 S CB 1.484 64.712 63.200 0.046 0.000 1.054 1719 S HN 0.996 nan 8.310 nan 0.000 0.516 1720 G N 2.520 111.345 108.800 0.040 0.000 2.662 1720 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.686 1720 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.686 1720 G C -0.755 174.158 174.900 0.023 0.000 1.271 1720 G CA -0.698 44.421 45.100 0.032 0.000 0.816 1720 G HN 0.847 nan 8.290 nan 0.000 0.608 1721 R N 0.667 121.171 120.500 0.005 0.000 2.267 1721 R HA 0.607 4.947 4.340 -0.000 0.000 0.319 1721 R C -0.248 176.045 176.300 -0.013 0.000 1.067 1721 R CA -0.029 56.056 56.100 -0.026 0.000 0.936 1721 R CB 0.343 30.611 30.300 -0.052 0.000 1.006 1721 R HN 0.446 nan 8.270 nan 0.000 0.452 1722 K N 1.804 122.195 120.400 -0.014 0.000 2.439 1722 K HA 0.405 4.725 4.320 -0.000 0.000 0.260 1722 K C -1.077 175.524 176.600 0.001 0.000 1.032 1722 K CA -0.774 55.526 56.287 0.022 0.000 0.882 1722 K CB 1.674 34.214 32.500 0.066 0.000 1.420 1722 K HN 0.384 nan 8.250 nan 0.000 0.455 1723 Q N 0.595 120.422 119.800 0.045 0.000 2.423 1723 Q HA 0.547 4.887 4.340 -0.000 0.000 0.278 1723 Q C -1.406 174.594 176.000 0.000 0.000 1.097 1723 Q CA -0.982 54.797 55.803 -0.040 0.000 0.809 1723 Q CB 2.464 31.133 28.738 -0.116 0.000 1.391 1723 Q HN 0.514 nan 8.270 nan 0.000 0.428 1724 V N -0.269 119.576 119.914 -0.115 0.000 2.378 1724 V HA 0.565 4.685 4.120 -0.000 0.000 0.288 1724 V C -1.197 174.786 176.094 -0.186 0.000 1.016 1724 V CA -0.714 61.595 62.300 0.015 0.000 0.840 1724 V CB 0.663 32.570 31.823 0.140 0.000 0.994 1724 V HN 0.557 nan 8.190 nan 0.000 0.431 1725 Y N 3.716 124.068 120.300 0.086 0.000 2.330 1725 Y HA 0.676 5.226 4.550 -0.000 0.000 0.336 1725 Y C 0.602 176.471 175.900 -0.053 0.000 1.036 1725 Y CA -0.488 57.626 58.100 0.024 0.000 1.125 1725 Y CB 1.500 39.982 38.460 0.037 0.000 1.194 1725 Y HN 0.659 nan 8.280 nan 0.000 0.469 1726 R N 3.330 123.790 120.500 -0.068 0.000 2.494 1726 R HA 0.621 4.961 4.340 -0.000 0.000 0.305 1726 R C -0.713 175.534 176.300 -0.088 0.000 0.959 1726 R CA -0.548 55.380 56.100 -0.286 0.000 0.864 1726 R CB 0.976 30.923 30.300 -0.588 0.000 1.159 1726 R HN 0.994 nan 8.270 nan 0.000 0.446 1727 C N 1.677 120.940 119.300 -0.061 0.000 2.328 1727 C HA 0.444 4.904 4.460 -0.000 0.000 0.378 1727 C C 1.341 176.334 174.990 0.005 0.000 1.249 1727 C CA -0.575 58.447 59.018 0.006 0.000 2.204 1727 C CB 0.909 28.675 27.740 0.044 0.000 2.218 1727 C HN 0.928 nan 8.230 nan 0.000 0.564 1728 E N 0.415 120.648 120.200 0.055 0.000 2.472 1728 E HA -0.053 4.297 4.350 -0.000 0.000 0.200 1728 E C 0.562 177.256 176.600 0.157 0.000 1.046 1728 E CA 0.685 57.166 56.400 0.136 0.000 0.871 1728 E CB -0.166 29.585 29.700 0.085 0.000 0.806 1728 E HN 0.530 nan 8.360 nan 0.000 0.533 1729 N N 0.005 118.682 118.700 -0.038 0.000 2.320 1729 N HA 0.068 4.808 4.740 -0.000 0.000 0.237 1729 N C 0.686 175.941 175.510 -0.425 0.000 1.129 1729 N CA 0.619 53.554 53.050 -0.193 0.000 0.854 1729 N CB 1.244 39.500 38.487 -0.386 0.000 1.083 1729 N HN 0.234 nan 8.380 nan 0.000 0.504 1730 G N 0.670 109.123 108.800 -0.579 0.000 2.196 1730 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.268 1730 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.268 1730 G C -0.094 174.699 174.900 -0.178 0.000 0.975 1730 G CA 0.297 44.760 45.100 -1.062 0.000 0.648 1730 G HN 0.623 nan 8.290 nan 0.000 0.538 1731 H N -0.375 118.663 119.070 -0.053 0.000 2.955 1731 H HA 0.431 4.987 4.556 -0.000 0.000 0.290 1731 H C 0.060 175.501 175.328 0.189 0.000 1.047 1731 H CA -0.576 55.529 56.048 0.095 0.000 1.484 1731 H CB 0.316 30.126 29.762 0.080 0.000 1.501 1731 H HN 0.289 nan 8.280 nan 0.000 0.521 1732 Y N 1.068 121.444 120.300 0.126 0.000 2.403 1732 Y HA 0.268 4.818 4.550 -0.000 0.000 0.323 1732 Y C 0.141 176.123 175.900 0.137 0.000 1.226 1732 Y CA -0.599 57.593 58.100 0.154 0.000 1.235 1732 Y CB 1.183 39.759 38.460 0.194 0.000 1.248 1732 Y HN 0.661 nan 8.280 nan 0.000 0.489 1733 H N -0.479 118.765 119.070 0.290 0.000 3.224 1733 H HA 0.462 5.018 4.556 -0.000 0.000 0.331 1733 H C -1.625 173.851 175.328 0.246 0.000 1.002 1733 H CA -0.475 55.705 56.048 0.220 0.000 1.473 1733 H CB 1.057 30.919 29.762 0.167 0.000 1.830 1733 H HN 0.386 nan 8.280 nan 0.000 0.485 1734 V N 5.925 125.992 119.914 0.255 0.000 2.406 1734 V HA 0.419 4.539 4.120 -0.000 0.000 0.272 1734 V C -0.037 176.200 176.094 0.239 0.000 1.043 1734 V CA -0.364 62.082 62.300 0.244 0.000 0.915 1734 V CB 0.893 32.833 31.823 0.196 0.000 0.988 1734 V HN 0.538 nan 8.190 nan 0.000 0.466 1735 V N 3.743 123.811 119.914 0.256 0.000 3.102 1735 V HA 0.740 4.860 4.120 -0.000 0.000 0.312 1735 V C -2.956 173.236 176.094 0.164 0.000 1.135 1735 V CA -3.092 59.329 62.300 0.202 0.000 1.022 1735 V CB 2.131 34.067 31.823 0.188 0.000 1.056 1735 V HN 0.575 nan 8.190 nan 0.000 0.436 1736 P HA 0.316 nan 4.420 nan 0.000 0.271 1736 P C 0.619 177.974 177.300 0.091 0.000 1.216 1736 P CA 0.392 63.542 63.100 0.083 0.000 0.776 1736 P CB 1.142 32.877 31.700 0.059 0.000 0.881 1737 A N 3.359 126.219 122.820 0.066 0.000 2.070 1737 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 1737 A C 1.523 179.139 177.584 0.053 0.000 1.159 1737 A CA 1.600 53.674 52.037 0.062 0.000 0.656 1737 A CB -1.298 17.707 19.000 0.008 0.000 0.800 1737 A HN 0.548 nan 8.150 nan 0.000 0.453 1738 N N -0.515 118.209 118.700 0.039 0.000 2.585 1738 N HA 0.001 4.741 4.740 -0.000 0.000 0.188 1738 N C -0.141 175.383 175.510 0.024 0.000 1.102 1738 N CA 0.981 54.047 53.050 0.027 0.000 0.920 1738 N CB 0.015 38.515 38.487 0.022 0.000 0.963 1738 N HN 0.408 nan 8.380 nan 0.000 0.447 1739 K N -0.317 120.102 120.400 0.032 0.000 2.444 1739 K HA 0.493 4.813 4.320 -0.000 0.000 0.252 1739 K C -0.818 175.781 176.600 -0.001 0.000 0.993 1739 K CA -0.602 55.688 56.287 0.005 0.000 0.847 1739 K CB 2.068 34.563 32.500 -0.008 0.000 1.340 1739 K HN -0.169 nan 8.250 nan 0.000 0.446 1740 K N 1.164 121.520 120.400 -0.073 0.000 2.535 1740 K HA 0.431 4.751 4.320 -0.000 0.000 0.250 1740 K C -0.962 175.439 176.600 -0.331 0.000 0.948 1740 K CA -0.531 55.665 56.287 -0.153 0.000 0.796 1740 K CB 1.819 34.300 32.500 -0.030 0.000 1.216 1740 K HN 0.275 nan 8.250 nan 0.000 0.432 1741 L N 1.803 122.570 121.223 -0.759 0.000 2.421 1741 L HA 0.220 4.560 4.340 -0.000 0.000 0.263 1741 L C 0.971 177.607 176.870 -0.391 0.000 1.122 1741 L CA 0.307 54.758 54.840 -0.647 0.000 0.804 1741 L CB 1.047 42.561 42.059 -0.909 0.000 1.150 1741 L HN 0.814 nan 8.230 nan 0.000 0.457 1742 E N 0.217 120.284 120.200 -0.222 0.000 2.701 1742 E HA 0.063 4.413 4.350 -0.000 0.000 0.201 1742 E C -0.202 176.354 176.600 -0.073 0.000 0.961 1742 E CA -0.099 56.239 56.400 -0.103 0.000 1.659 1742 E CB 0.524 30.180 29.700 -0.073 0.000 1.970 1742 E HN 0.491 nan 8.360 nan 0.000 1.021 1743 R N 0.129 120.571 120.500 -0.096 0.000 2.536 1743 R HA 0.551 4.891 4.340 -0.000 0.000 0.279 1743 R C -0.542 175.708 176.300 -0.084 0.000 1.001 1743 R CA -0.413 55.646 56.100 -0.068 0.000 1.027 1743 R CB 1.205 31.464 30.300 -0.069 0.000 1.096 1743 R HN 0.159 nan 8.270 nan 0.000 0.502 1744 C N 4.960 124.238 119.300 -0.037 0.000 2.256 1744 C HA 0.299 4.759 4.460 -0.000 0.000 0.333 1744 C C -1.211 173.749 174.990 -0.050 0.000 1.183 1744 C CA -2.042 56.964 59.018 -0.019 0.000 1.692 1744 C CB 0.228 28.013 27.740 0.074 0.000 2.274 1744 C HN 0.745 nan 8.230 nan 0.000 0.509 1745 P HA -0.211 nan 4.420 nan 0.000 0.222 1745 P C 1.320 178.596 177.300 -0.040 0.000 1.155 1745 P CA 1.594 64.602 63.100 -0.154 0.000 0.890 1745 P CB 0.044 31.533 31.700 -0.352 0.000 0.790 1746 V N -0.265 119.649 119.914 -0.000 0.000 5.856 1746 V HA 0.023 4.143 4.120 -0.000 0.000 0.254 1746 V C 0.275 176.394 176.094 0.041 0.000 1.440 1746 V CA 0.219 62.507 62.300 -0.020 0.000 0.700 1746 V CB -0.096 31.608 31.823 -0.198 0.000 1.340 1746 V HN 0.267 nan 8.190 nan 0.000 0.353 1747 C N 3.095 122.462 119.300 0.112 0.000 2.625 1747 C HA 0.156 4.616 4.460 -0.000 0.000 0.398 1747 C C 0.698 175.744 174.990 0.095 0.000 1.405 1747 C CA -0.636 58.456 59.018 0.123 0.000 1.398 1747 C CB -2.942 24.909 27.740 0.185 0.000 2.318 1747 C HN 0.803 nan 8.230 nan 0.000 0.623 1748 N N 3.060 121.788 118.700 0.048 0.000 2.182 1748 N HA 0.285 5.025 4.740 -0.000 0.000 0.283 1748 N C 0.026 175.555 175.510 0.032 0.000 1.380 1748 N CA 1.368 54.434 53.050 0.026 0.000 0.874 1748 N CB -0.012 38.481 38.487 0.010 0.000 1.190 1748 N HN 1.112 nan 8.380 nan 0.000 0.494 1749 A N 3.150 125.990 122.820 0.033 0.000 2.602 1749 A HA 0.598 4.918 4.320 -0.000 0.000 0.290 1749 A C -0.965 176.633 177.584 0.024 0.000 1.114 1749 A CA -0.969 51.087 52.037 0.031 0.000 0.683 1749 A CB 0.920 19.945 19.000 0.041 0.000 1.281 1749 A HN 0.542 nan 8.150 nan 0.000 0.416 1750 K N 0.431 120.845 120.400 0.024 0.000 2.322 1750 K HA 0.462 4.782 4.320 -0.000 0.000 0.283 1750 K C -0.182 176.443 176.600 0.041 0.000 1.042 1750 K CA -0.139 56.163 56.287 0.025 0.000 0.958 1750 K CB 1.061 33.575 32.500 0.024 0.000 0.984 1750 K HN 0.848 nan 8.250 nan 0.000 0.473 1751 V N -0.757 119.189 119.914 0.053 0.000 2.555 1751 V HA 0.589 4.709 4.120 -0.000 0.000 0.302 1751 V C -0.591 175.597 176.094 0.158 0.000 1.038 1751 V CA -0.786 61.573 62.300 0.098 0.000 0.887 1751 V CB 1.792 33.685 31.823 0.117 0.000 0.991 1751 V HN 0.677 nan 8.190 nan 0.000 0.434 1752 E N 4.440 124.721 120.200 0.135 0.000 2.238 1752 E HA 0.678 5.028 4.350 -0.000 0.000 0.267 1752 E C -2.895 173.713 176.600 0.013 0.000 0.887 1752 E CA -2.322 54.143 56.400 0.109 0.000 0.769 1752 E CB 2.494 32.223 29.700 0.048 0.000 1.187 1752 E HN 0.653 nan 8.360 nan 0.000 0.416 1753 P HA 0.058 nan 4.420 nan 0.000 0.269 1753 P C -0.070 177.113 177.300 -0.195 0.000 1.209 1753 P CA 0.290 63.166 63.100 -0.374 0.000 0.776 1753 P CB 0.613 32.163 31.700 -0.250 0.000 0.876 1754 L N 1.301 122.403 121.223 -0.202 0.000 2.467 1754 L HA 0.135 4.475 4.340 -0.000 0.000 0.213 1754 L C 0.539 177.391 176.870 -0.029 0.000 1.053 1754 L CA 0.098 54.899 54.840 -0.065 0.000 0.847 1754 L CB -0.094 41.958 42.059 -0.011 0.000 1.075 1754 L HN 0.270 nan 8.230 nan 0.000 0.479 1755 L N 2.732 123.922 121.223 -0.055 0.000 2.456 1755 L HA 0.168 4.508 4.340 -0.000 0.000 0.277 1755 L C -0.167 176.723 176.870 0.033 0.000 1.124 1755 L CA 0.875 55.715 54.840 -0.000 0.000 0.880 1755 L CB 0.030 42.070 42.059 -0.031 0.000 1.192 1755 L HN 0.080 nan 8.230 nan 0.000 0.463 1756 K N 4.695 125.135 120.400 0.067 0.000 2.375 1756 K HA 0.544 4.864 4.320 -0.000 0.000 0.249 1756 K C -2.458 174.189 176.600 0.079 0.000 0.942 1756 K CA -2.332 53.995 56.287 0.066 0.000 0.806 1756 K CB 1.863 34.368 32.500 0.009 0.000 1.227 1756 K HN 0.116 nan 8.250 nan 0.000 0.430 1757 P HA 0.153 nan 4.420 nan 0.000 0.267 1757 P C 0.518 177.743 177.300 -0.125 0.000 1.205 1757 P CA 0.076 63.102 63.100 -0.123 0.000 0.765 1757 P CB 0.309 31.930 31.700 -0.130 0.000 0.828 1758 I N 0.625 121.105 120.570 -0.150 0.000 4.624 1758 I HA 0.419 4.589 4.170 -0.000 0.000 0.327 1758 I C -0.016 176.054 176.117 -0.078 0.000 1.295 1758 I CA 0.393 61.644 61.300 -0.081 0.000 1.267 1758 I CB 0.608 38.630 38.000 0.036 0.000 1.249 1758 I HN 0.066 nan 8.210 nan 0.000 0.440 1759 I N 2.407 122.883 120.570 -0.156 0.000 2.529 1759 I HA 0.306 4.476 4.170 -0.000 0.000 0.284 1759 I C -1.212 174.783 176.117 -0.203 0.000 1.088 1759 I CA -0.383 60.832 61.300 -0.142 0.000 1.062 1759 I CB 2.062 39.989 38.000 -0.121 0.000 1.218 1759 I HN 0.060 nan 8.210 nan 0.000 0.442 1760 E N 6.711 126.819 120.200 -0.153 0.000 2.055 1760 E HA 0.209 4.559 4.350 -0.000 0.000 0.274 1760 E C 0.039 176.579 176.600 -0.101 0.000 0.949 1760 E CA -0.237 56.077 56.400 -0.144 0.000 0.775 1760 E CB 0.457 30.090 29.700 -0.112 0.000 1.097 1760 E HN 0.460 nan 8.360 nan 0.000 0.404 1761 N N 4.348 122.988 118.700 -0.099 0.000 2.667 1761 N HA -0.251 4.489 4.740 -0.000 0.000 0.263 1761 N C 0.628 176.101 175.510 -0.062 0.000 1.038 1761 N CA 1.740 54.750 53.050 -0.066 0.000 0.749 1761 N CB -1.222 37.239 38.487 -0.043 0.000 0.892 1761 N HN 0.948 nan 8.380 nan 0.000 0.546 1762 G N -0.609 108.144 108.800 -0.079 0.000 2.189 1762 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.267 1762 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.267 1762 G C -0.096 174.768 174.900 -0.060 0.000 0.975 1762 G CA 0.683 45.739 45.100 -0.073 0.000 0.644 1762 G HN 0.680 nan 8.290 nan 0.000 0.537 1763 E N 0.408 120.572 120.200 -0.060 0.000 2.113 1763 E HA 0.533 4.883 4.350 -0.000 0.000 0.273 1763 E C 0.985 177.559 176.600 -0.043 0.000 0.924 1763 E CA -0.923 55.450 56.400 -0.045 0.000 0.764 1763 E CB 0.544 30.218 29.700 -0.044 0.000 1.104 1763 E HN 0.568 nan 8.360 nan 0.000 0.406 1764 I N 1.799 122.362 120.570 -0.011 0.000 2.372 1764 I HA 0.117 4.287 4.170 -0.000 0.000 0.298 1764 I C 0.059 176.160 176.117 -0.028 0.000 1.137 1764 I CA -0.429 60.883 61.300 0.021 0.000 1.314 1764 I CB 0.407 38.489 38.000 0.137 0.000 1.444 1764 I HN 0.172 nan 8.210 nan 0.000 0.541 1765 V N 6.213 126.084 119.914 -0.071 0.000 3.570 1765 V HA 0.074 4.194 4.120 -0.000 0.000 0.293 1765 V C 0.673 176.675 176.094 -0.154 0.000 1.237 1765 V CA 0.250 62.491 62.300 -0.098 0.000 1.226 1765 V CB -1.102 30.661 31.823 -0.099 0.000 1.028 1765 V HN 0.695 nan 8.190 nan 0.000 0.430 1766 V N -0.621 119.156 119.914 -0.229 0.000 3.049 1766 V HA 0.398 4.518 4.120 -0.000 0.000 0.309 1766 V C -0.453 175.307 176.094 -0.556 0.000 1.148 1766 V CA -1.024 61.025 62.300 -0.419 0.000 0.990 1766 V CB 2.935 34.397 31.823 -0.602 0.000 1.039 1766 V HN 0.370 nan 8.190 nan 0.000 0.430 1767 E N 1.778 121.697 120.200 -0.469 0.000 2.197 1767 E HA 0.495 4.845 4.350 -0.000 0.000 0.281 1767 E C -1.695 174.630 176.600 -0.458 0.000 0.995 1767 E CA -0.487 55.721 56.400 -0.321 0.000 0.808 1767 E CB 0.981 30.588 29.700 -0.156 0.000 1.093 1767 E HN 0.495 nan 8.360 nan 0.000 0.394 1768 F N 5.710 125.656 119.950 -0.008 0.000 2.391 1768 F HA 0.288 4.815 4.527 -0.000 0.000 0.359 1768 F C -1.367 174.441 175.800 0.012 0.000 1.122 1768 F CA -1.829 56.171 58.000 0.001 0.000 1.120 1768 F CB 0.667 39.670 39.000 0.005 0.000 1.142 1768 F HN 0.364 nan 8.300 nan 0.000 0.483 1769 P HA -0.031 nan 4.420 nan 0.000 0.266 1769 P C -0.587 176.795 177.300 0.138 0.000 1.193 1769 P CA -0.325 62.838 63.100 0.104 0.000 0.770 1769 P CB 0.855 32.601 31.700 0.077 0.000 0.836 1770 K N 1.273 121.741 120.400 0.114 0.000 2.202 1770 K HA 0.372 4.692 4.320 -0.000 0.000 0.264 1770 K C 1.417 178.115 176.600 0.162 0.000 1.010 1770 K CA 0.344 56.705 56.287 0.124 0.000 0.940 1770 K CB 0.265 32.826 32.500 0.101 0.000 0.983 1770 K HN 0.452 nan 8.250 nan 0.000 0.475 1771 A N 4.304 127.238 122.820 0.190 0.000 1.882 1771 A HA -0.335 3.985 4.320 -0.000 0.000 0.220 1771 A C 1.876 179.685 177.584 0.376 0.000 1.253 1771 A CA 2.739 54.953 52.037 0.295 0.000 0.664 1771 A CB -0.951 18.243 19.000 0.324 0.000 0.838 1771 A HN 0.942 nan 8.150 nan 0.000 0.460 1772 R N -0.777 120.012 120.500 0.483 0.000 2.139 1772 R HA -0.220 4.120 4.340 -0.000 0.000 0.243 1772 R C 1.719 178.119 176.300 0.167 0.000 1.145 1772 R CA 2.068 58.414 56.100 0.411 0.000 0.976 1772 R CB -0.439 30.098 30.300 0.395 0.000 0.866 1772 R HN 0.480 nan 8.270 nan 0.000 0.449 1773 E N 0.929 121.218 120.200 0.148 0.000 2.216 1773 E HA 0.042 4.392 4.350 -0.000 0.000 0.192 1773 E C 1.932 178.597 176.600 0.109 0.000 0.988 1773 E CA 0.880 57.339 56.400 0.098 0.000 0.834 1773 E CB -0.030 29.715 29.700 0.075 0.000 0.772 1773 E HN 0.474 nan 8.360 nan 0.000 0.479 1774 I N 0.152 120.806 120.570 0.140 0.000 2.163 1774 I HA -0.249 3.921 4.170 -0.000 0.000 0.240 1774 I C 2.624 178.833 176.117 0.153 0.000 1.081 1774 I CA 1.193 62.606 61.300 0.188 0.000 1.353 1774 I CB -0.384 37.733 38.000 0.194 0.000 1.054 1774 I HN 0.087 nan 8.210 nan 0.000 0.407 1775 R N 1.322 121.849 120.500 0.045 0.000 2.117 1775 R HA -0.263 4.077 4.340 -0.000 0.000 0.243 1775 R C 2.138 178.408 176.300 -0.050 0.000 1.143 1775 R CA 1.991 58.033 56.100 -0.096 0.000 0.968 1775 R CB -0.258 29.803 30.300 -0.399 0.000 0.863 1775 R HN 0.407 nan 8.270 nan 0.000 0.444 1776 E N -0.691 119.513 120.200 0.007 0.000 2.085 1776 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 1776 E C 1.720 178.362 176.600 0.069 0.000 0.994 1776 E CA 1.432 57.846 56.400 0.022 0.000 0.801 1776 E CB -0.254 29.471 29.700 0.042 0.000 0.743 1776 E HN 0.407 nan 8.360 nan 0.000 0.453 1777 Y N 0.648 120.924 120.300 -0.041 0.000 2.224 1777 Y HA -0.196 4.354 4.550 -0.000 0.000 0.289 1777 Y C 1.900 177.764 175.900 -0.059 0.000 1.146 1777 Y CA 1.079 59.154 58.100 -0.043 0.000 1.182 1777 Y CB -0.496 37.960 38.460 -0.006 0.000 0.983 1777 Y HN -0.108 nan 8.280 nan 0.000 0.524 1778 V N 0.426 120.248 119.914 -0.153 0.000 2.244 1778 V HA -0.322 3.798 4.120 -0.000 0.000 0.244 1778 V C 2.575 178.550 176.094 -0.198 0.000 1.042 1778 V CA 2.139 64.284 62.300 -0.257 0.000 1.006 1778 V CB -1.004 30.744 31.823 -0.126 0.000 0.641 1778 V HN 0.384 nan 8.190 nan 0.000 0.446 1779 L N -0.274 120.887 121.223 -0.104 0.000 2.127 1779 L HA -0.228 4.112 4.340 -0.000 0.000 0.211 1779 L C 2.555 179.336 176.870 -0.149 0.000 1.089 1779 L CA 1.693 56.499 54.840 -0.057 0.000 0.757 1779 L CB -0.677 41.370 42.059 -0.020 0.000 0.899 1779 L HN 0.410 nan 8.230 nan 0.000 0.434 1780 E N -0.368 119.736 120.200 -0.159 0.000 2.072 1780 E HA -0.245 4.105 4.350 -0.000 0.000 0.191 1780 E C 2.290 178.682 176.600 -0.346 0.000 0.985 1780 E CA 1.087 57.370 56.400 -0.196 0.000 0.801 1780 E CB -0.044 29.595 29.700 -0.101 0.000 0.750 1780 E HN 0.553 nan 8.360 nan 0.000 0.452 1781 Q N 0.252 119.786 119.800 -0.443 0.000 2.050 1781 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 1781 Q C 2.267 177.899 176.000 -0.614 0.000 0.980 1781 Q CA 1.295 56.618 55.803 -0.799 0.000 0.840 1781 Q CB -0.202 28.155 28.738 -0.635 0.000 0.898 1781 Q HN 0.231 nan 8.270 nan 0.000 0.424 1782 A N 1.643 124.252 122.820 -0.352 0.000 1.884 1782 A HA -0.273 4.047 4.320 -0.000 0.000 0.219 1782 A C 1.992 179.465 177.584 -0.186 0.000 1.197 1782 A CA 1.771 53.671 52.037 -0.227 0.000 0.637 1782 A CB -0.394 18.595 19.000 -0.020 0.000 0.827 1782 A HN 0.147 nan 8.150 nan 0.000 0.450 1783 K N -0.675 119.580 120.400 -0.242 0.000 2.031 1783 K HA -0.099 4.221 4.320 -0.000 0.000 0.205 1783 K C 2.229 178.708 176.600 -0.202 0.000 1.049 1783 K CA 1.352 57.488 56.287 -0.252 0.000 0.939 1783 K CB -0.294 32.006 32.500 -0.332 0.000 0.717 1783 K HN 0.556 nan 8.250 nan 0.000 0.438 1784 K N 0.636 120.868 120.400 -0.281 0.000 2.032 1784 K HA -0.093 4.227 4.320 -0.000 0.000 0.209 1784 K C 1.910 178.496 176.600 -0.023 0.000 1.048 1784 K CA 1.410 57.564 56.287 -0.222 0.000 0.927 1784 K CB -0.112 32.155 32.500 -0.387 0.000 0.712 1784 K HN 0.084 nan 8.250 nan 0.000 0.441 1785 F N 0.506 120.398 119.950 -0.096 0.000 2.748 1785 F HA 0.031 4.558 4.527 -0.000 0.000 0.299 1785 F C 0.557 176.294 175.800 -0.105 0.000 1.154 1785 F CA -0.053 57.892 58.000 -0.092 0.000 1.446 1785 F CB -0.237 38.709 39.000 -0.091 0.000 1.112 1785 F HN 0.281 nan 8.300 nan 0.000 0.584 1786 N N 1.925 120.650 118.700 0.042 0.000 2.727 1786 N HA -0.203 4.537 4.740 -0.000 0.000 0.251 1786 N C -0.448 175.047 175.510 -0.026 0.000 1.040 1786 N CA -0.525 52.527 53.050 0.003 0.000 0.712 1786 N CB -0.816 37.687 38.487 0.026 0.000 0.912 1786 N HN 0.217 nan 8.380 nan 0.000 0.545 1787 L N 1.249 122.382 121.223 -0.150 0.000 2.490 1787 L HA 0.027 4.367 4.340 -0.000 0.000 0.274 1787 L C 0.476 177.292 176.870 -0.089 0.000 1.201 1787 L CA 0.423 55.022 54.840 -0.401 0.000 0.869 1787 L CB 0.328 41.730 42.059 -1.096 0.000 1.123 1787 L HN 0.306 nan 8.230 nan 0.000 0.484 1788 E N 2.822 123.138 120.200 0.193 0.000 2.199 1788 E HA 0.597 4.947 4.350 -0.000 0.000 0.269 1788 E C -0.720 176.113 176.600 0.389 0.000 0.899 1788 E CA -0.737 55.829 56.400 0.276 0.000 0.772 1788 E CB 2.088 31.896 29.700 0.181 0.000 1.155 1788 E HN 0.206 nan 8.360 nan 0.000 0.408 1789 I N 0.000 120.672 120.570 0.170 0.000 2.984 1789 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 1789 I CA 0.000 61.294 61.300 -0.010 0.000 1.566 1789 I CB 0.000 37.955 38.000 -0.074 0.000 1.214 1789 I HN 0.000 nan 8.210 nan 0.000 0.494