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 3cly_1_A DATA FIRST_RESID 1468 DATA SEQUENCE LPEDPKWEFP RDKLTLGKPL GEGAFGQVVM AEAVGIDKDK PKEAVTVAVK DATA SEQUENCE MLKDDATEKD LSDLVSEMEM MKMIGKHKNI INLLGACTQD GPLYVIVEYA DATA SEQUENCE SKGNLREYLR ARRXXXXXXX XXXXXXXEEQ MTFKDLVSCT YQLARGMEYL DATA SEQUENCE ASQKCIHRDL AARNVLVTEN NVMKIADFGL ARDINNIDXX KKTTNGRLPV DATA SEQUENCE KWMAPEALFD RVYTHQSDVW SFGVLMWEIF TLGGSPYPGI PVEELFKLLK DATA SEQUENCE EGHRMDKPAN CTNELYMMMR DCWHAVPSQR PTFKQLVEDL DRILTLTTNE DATA SEQUENCE EYLDL 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 1468 L HA 0.000 nan 4.340 nan 0.000 0.249 1468 L C 0.000 176.871 176.870 0.001 0.000 1.165 1468 L CA 0.000 54.836 54.840 -0.007 0.000 0.813 1468 L CB 0.000 42.053 42.059 -0.010 0.000 0.961 1469 P HA 0.369 nan 4.420 nan 0.000 0.267 1469 P C -0.325 176.988 177.300 0.021 0.000 1.201 1469 P CA 0.046 63.153 63.100 0.012 0.000 0.775 1469 P CB 0.470 32.177 31.700 0.012 0.000 0.854 1470 E N 0.905 121.120 120.200 0.025 0.000 2.318 1470 E HA 0.297 4.647 4.350 -0.001 0.000 0.265 1470 E C -0.567 176.065 176.600 0.053 0.000 1.069 1470 E CA -0.142 56.280 56.400 0.036 0.000 0.893 1470 E CB 0.572 30.289 29.700 0.027 0.000 1.076 1470 E HN 0.344 nan 8.360 nan 0.000 0.414 1471 D N 1.850 122.296 120.400 0.077 0.000 2.752 1471 D HA 0.185 4.825 4.640 -0.001 0.000 0.242 1471 D C -2.292 174.079 176.300 0.120 0.000 1.295 1471 D CA -1.462 52.604 54.000 0.110 0.000 0.846 1471 D CB 0.843 41.738 40.800 0.158 0.000 1.454 1471 D HN 0.042 nan 8.370 nan 0.000 0.535 1472 P HA -0.251 nan 4.420 nan 0.000 0.220 1472 P C 1.129 178.442 177.300 0.021 0.000 1.155 1472 P CA 1.442 64.567 63.100 0.042 0.000 0.880 1472 P CB 0.278 31.987 31.700 0.015 0.000 0.790 1473 K N -2.121 118.270 120.400 -0.015 0.000 2.089 1473 K HA -0.194 4.125 4.320 -0.001 0.000 0.210 1473 K C 1.701 178.125 176.600 -0.294 0.000 1.048 1473 K CA 1.925 58.101 56.287 -0.186 0.000 0.926 1473 K CB -0.545 31.811 32.500 -0.239 0.000 0.714 1473 K HN 0.330 nan 8.250 nan 0.000 0.448 1474 W N 0.707 122.031 121.300 0.039 0.000 3.103 1474 W HA 0.149 4.808 4.660 -0.003 0.000 0.325 1474 W C 0.301 176.873 176.519 0.089 0.000 1.170 1474 W CA -0.787 56.589 57.345 0.053 0.000 1.712 1474 W CB 0.355 29.835 29.460 0.034 0.000 1.068 1474 W HN -0.084 nan 8.180 nan 0.000 0.592 1475 E N 1.296 121.650 120.200 0.258 0.000 2.414 1475 E HA 0.080 4.430 4.350 -0.001 0.000 0.263 1475 E C -1.115 175.637 176.600 0.252 0.000 1.000 1475 E CA 0.059 56.587 56.400 0.213 0.000 0.914 1475 E CB 0.165 29.939 29.700 0.122 0.000 0.948 1475 E HN -0.024 nan 8.360 nan 0.000 0.444 1476 F N 5.274 125.282 119.950 0.096 0.000 2.540 1476 F HA 0.505 5.029 4.527 -0.004 0.000 0.317 1476 F C -2.317 173.525 175.800 0.069 0.000 1.104 1476 F CA -2.790 55.258 58.000 0.080 0.000 0.913 1476 F CB 1.753 40.812 39.000 0.098 0.000 1.170 1476 F HN 0.385 nan 8.300 nan 0.000 0.450 1477 P HA 0.219 nan 4.420 nan 0.000 0.265 1477 P C 0.147 177.179 177.300 -0.446 0.000 1.222 1477 P CA 0.208 62.988 63.100 -0.532 0.000 0.767 1477 P CB 0.633 32.011 31.700 -0.536 0.000 0.801 1478 R N 2.641 123.076 120.500 -0.109 0.000 2.091 1478 R HA -0.196 4.143 4.340 -0.001 0.000 0.238 1478 R C 2.131 178.440 176.300 0.015 0.000 1.136 1478 R CA 2.224 58.353 56.100 0.050 0.000 0.959 1478 R CB -1.268 29.082 30.300 0.083 0.000 0.856 1478 R HN 0.559 nan 8.270 nan 0.000 0.437 1479 D N 0.886 121.256 120.400 -0.049 0.000 2.228 1479 D HA -0.181 4.458 4.640 -0.001 0.000 0.203 1479 D C 1.905 178.187 176.300 -0.031 0.000 0.988 1479 D CA 1.990 55.969 54.000 -0.035 0.000 0.864 1479 D CB -0.515 40.252 40.800 -0.054 0.000 0.928 1479 D HN 0.520 nan 8.370 nan 0.000 0.469 1480 K N -1.121 119.221 120.400 -0.097 0.000 2.417 1480 K HA 0.611 4.931 4.320 -0.001 0.000 0.196 1480 K C 0.455 177.192 176.600 0.228 0.000 1.023 1480 K CA 0.077 56.361 56.287 -0.006 0.000 1.122 1480 K CB -0.069 32.340 32.500 -0.152 0.000 0.850 1480 K HN 0.509 nan 8.250 nan 0.000 0.521 1481 L N 0.599 121.959 121.223 0.228 0.000 2.341 1481 L HA 0.589 4.929 4.340 -0.001 0.000 0.278 1481 L C -1.006 175.931 176.870 0.113 0.000 1.005 1481 L CA -0.105 54.896 54.840 0.268 0.000 0.818 1481 L CB 2.469 44.748 42.059 0.367 0.000 1.259 1481 L HN 0.037 nan 8.230 nan 0.000 0.418 1482 T N 5.864 120.452 114.554 0.056 0.000 2.892 1482 T HA 0.463 4.813 4.350 -0.001 0.000 0.311 1482 T C -0.422 174.257 174.700 -0.034 0.000 1.033 1482 T CA -0.444 61.663 62.100 0.012 0.000 0.991 1482 T CB 0.658 69.533 68.868 0.012 0.000 0.981 1482 T HN 0.277 nan 8.240 nan 0.000 0.457 1483 L N 2.922 124.108 121.223 -0.060 0.000 2.483 1483 L HA 0.547 4.886 4.340 -0.001 0.000 0.276 1483 L C 1.165 177.994 176.870 -0.068 0.000 1.213 1483 L CA 0.824 55.605 54.840 -0.097 0.000 0.843 1483 L CB 0.169 42.153 42.059 -0.126 0.000 1.107 1483 L HN 0.817 nan 8.230 nan 0.000 0.487 1484 G N 1.449 110.202 108.800 -0.078 0.000 3.252 1484 G HA2 0.465 4.424 3.960 -0.001 0.000 0.181 1484 G HA3 0.465 4.424 3.960 -0.001 0.000 0.181 1484 G C -0.863 174.008 174.900 -0.048 0.000 1.187 1484 G CA -0.682 44.380 45.100 -0.063 0.000 0.886 1484 G HN 0.623 nan 8.290 nan 0.000 0.615 1485 K N 0.284 120.658 120.400 -0.043 0.000 2.319 1485 K HA 0.372 4.692 4.320 -0.001 0.000 0.265 1485 K C -2.650 173.942 176.600 -0.014 0.000 1.000 1485 K CA -0.882 55.391 56.287 -0.024 0.000 0.943 1485 K CB 0.804 33.293 32.500 -0.019 0.000 0.950 1485 K HN 0.029 nan 8.250 nan 0.000 0.485 1486 P HA 0.090 nan 4.420 nan 0.000 0.272 1486 P C -0.913 176.399 177.300 0.020 0.000 1.223 1486 P CA -0.148 62.958 63.100 0.010 0.000 0.784 1486 P CB 0.528 32.236 31.700 0.012 0.000 0.923 1487 L N 1.287 122.528 121.223 0.031 0.000 2.354 1487 L HA 0.767 5.107 4.340 -0.001 0.000 0.269 1487 L C 0.391 177.274 176.870 0.022 0.000 1.005 1487 L CA -0.761 54.107 54.840 0.046 0.000 0.819 1487 L CB 1.671 43.780 42.059 0.085 0.000 1.311 1487 L HN 0.633 nan 8.230 nan 0.000 0.423 1488 G N 1.452 110.261 108.800 0.014 0.000 3.439 1488 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.684 1488 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.684 1488 G C 0.227 175.104 174.900 -0.038 0.000 1.005 1488 G CA -0.266 44.827 45.100 -0.011 0.000 0.837 1488 G HN 0.847 nan 8.290 nan 0.000 0.470 1489 E N 1.485 121.663 120.200 -0.036 0.000 2.070 1489 E HA -0.134 4.216 4.350 -0.001 0.000 0.197 1489 E C 2.534 179.070 176.600 -0.106 0.000 1.004 1489 E CA 1.408 57.776 56.400 -0.054 0.000 0.805 1489 E CB 0.007 29.687 29.700 -0.033 0.000 0.744 1489 E HN 0.823 nan 8.360 nan 0.000 0.451 1490 G N 0.502 109.238 108.800 -0.107 0.000 2.920 1490 G HA2 0.216 4.175 3.960 -0.001 0.000 0.208 1490 G HA3 0.216 4.175 3.960 -0.001 0.000 0.208 1490 G C 0.402 175.131 174.900 -0.285 0.000 1.159 1490 G CA 0.326 45.323 45.100 -0.172 0.000 0.784 1490 G HN 0.279 nan 8.290 nan 0.000 0.535 1491 A N -0.454 122.239 122.820 -0.212 0.000 2.272 1491 A HA 0.700 5.020 4.320 -0.001 0.000 0.275 1491 A C 0.003 177.387 177.584 -0.332 0.000 1.096 1491 A CA -0.486 51.451 52.037 -0.168 0.000 0.822 1491 A CB 0.518 19.500 19.000 -0.029 0.000 1.088 1491 A HN 0.154 nan 8.150 nan 0.000 0.495 1492 F N -0.157 119.803 119.950 0.015 0.000 2.639 1492 F HA 0.396 4.922 4.527 -0.001 0.000 0.302 1492 F C 1.676 177.487 175.800 0.018 0.000 1.097 1492 F CA 0.811 58.821 58.000 0.017 0.000 1.294 1492 F CB 0.457 39.467 39.000 0.017 0.000 1.027 1492 F HN 0.869 nan 8.300 nan 0.000 0.550 1493 G N 0.523 109.396 108.800 0.121 0.000 2.175 1493 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.244 1493 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.244 1493 G C 1.211 176.162 174.900 0.084 0.000 0.982 1493 G CA 0.517 45.669 45.100 0.086 0.000 0.641 1493 G HN 0.366 nan 8.290 nan 0.000 0.527 1494 Q N 0.176 120.038 119.800 0.104 0.000 2.403 1494 Q HA 0.361 4.700 4.340 -0.001 0.000 0.203 1494 Q C 0.346 176.385 176.000 0.065 0.000 0.932 1494 Q CA 0.475 56.330 55.803 0.086 0.000 0.945 1494 Q CB 0.312 29.106 28.738 0.094 0.000 1.045 1494 Q HN 0.668 nan 8.270 nan 0.000 0.511 1495 V N 2.178 122.124 119.914 0.054 0.000 2.444 1495 V HA 0.519 4.638 4.120 -0.001 0.000 0.294 1495 V C -0.193 175.915 176.094 0.024 0.000 1.022 1495 V CA -0.813 61.510 62.300 0.039 0.000 0.850 1495 V CB 1.630 33.480 31.823 0.046 0.000 0.992 1495 V HN 0.235 nan 8.190 nan 0.000 0.426 1496 V N 2.540 122.454 119.914 -0.001 0.000 3.040 1496 V HA 0.694 4.813 4.120 -0.001 0.000 0.312 1496 V C -0.283 175.793 176.094 -0.030 0.000 1.115 1496 V CA -1.015 61.274 62.300 -0.018 0.000 0.998 1496 V CB 2.086 33.879 31.823 -0.050 0.000 1.042 1496 V HN 0.830 nan 8.190 nan 0.000 0.433 1497 M N 2.219 121.789 119.600 -0.051 0.000 2.228 1497 M HA 0.762 5.242 4.480 -0.001 0.000 0.326 1497 M C -0.110 176.109 176.300 -0.134 0.000 1.122 1497 M CA 0.362 55.586 55.300 -0.126 0.000 1.161 1497 M CB 1.293 33.773 32.600 -0.200 0.000 1.437 1497 M HN 1.393 nan 8.290 nan 0.000 0.465 1498 A N 2.205 124.927 122.820 -0.162 0.000 2.597 1498 A HA 0.547 4.867 4.320 -0.001 0.000 0.292 1498 A C -1.808 175.707 177.584 -0.115 0.000 1.057 1498 A CA -0.888 51.075 52.037 -0.124 0.000 0.674 1498 A CB 1.378 20.308 19.000 -0.117 0.000 1.278 1498 A HN 0.654 nan 8.150 nan 0.000 0.416 1499 E N 0.606 120.764 120.200 -0.071 0.000 2.133 1499 E HA 0.584 4.934 4.350 -0.001 0.000 0.274 1499 E C -0.523 176.081 176.600 0.007 0.000 0.930 1499 E CA -0.312 56.062 56.400 -0.043 0.000 0.770 1499 E CB 1.895 31.578 29.700 -0.027 0.000 1.104 1499 E HN 0.935 nan 8.360 nan 0.000 0.403 1500 A N 3.374 126.193 122.820 -0.002 0.000 2.285 1500 A HA 0.431 4.750 4.320 -0.001 0.000 0.310 1500 A C -0.306 177.365 177.584 0.145 0.000 1.266 1500 A CA -0.688 51.386 52.037 0.062 0.000 0.832 1500 A CB 0.625 19.476 19.000 -0.249 0.000 1.163 1500 A HN 0.338 nan 8.150 nan 0.000 0.499 1501 V N 2.660 122.725 119.914 0.251 0.000 2.408 1501 V HA 0.529 4.648 4.120 -0.001 0.000 0.267 1501 V C 1.395 177.638 176.094 0.248 0.000 1.047 1501 V CA 1.241 63.648 62.300 0.178 0.000 0.937 1501 V CB 0.438 32.327 31.823 0.109 0.000 0.999 1501 V HN 1.810 nan 8.190 nan 0.000 0.472 1502 G N 4.726 113.632 108.800 0.177 0.000 2.176 1502 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.253 1502 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.253 1502 G C 0.696 175.752 174.900 0.260 0.000 0.979 1502 G CA 0.347 45.555 45.100 0.180 0.000 0.641 1502 G HN 0.723 nan 8.290 nan 0.000 0.530 1503 I N 1.443 122.156 120.570 0.239 0.000 2.335 1503 I HA 0.042 4.212 4.170 -0.001 0.000 0.251 1503 I C 1.058 177.205 176.117 0.050 0.000 1.129 1503 I CA 1.428 62.771 61.300 0.071 0.000 1.402 1503 I CB 0.063 37.915 38.000 -0.247 0.000 1.069 1503 I HN 0.270 nan 8.210 nan 0.000 0.424 1504 D N 0.526 120.952 120.400 0.043 0.000 2.411 1504 D HA 0.150 4.790 4.640 -0.001 0.000 0.225 1504 D C 1.444 177.762 176.300 0.031 0.000 1.156 1504 D CA 0.640 54.654 54.000 0.023 0.000 0.874 1504 D CB 1.301 42.109 40.800 0.014 0.000 1.034 1504 D HN 0.288 nan 8.370 nan 0.000 0.502 1505 K N 3.188 123.601 120.400 0.021 0.000 2.090 1505 K HA -0.338 3.982 4.320 -0.001 0.000 0.218 1505 K C 1.806 178.413 176.600 0.010 0.000 1.055 1505 K CA 2.943 59.239 56.287 0.014 0.000 0.941 1505 K CB -1.830 30.663 32.500 -0.011 0.000 0.722 1505 K HN 0.714 nan 8.250 nan 0.000 0.458 1506 D N 0.094 120.497 120.400 0.004 0.000 2.120 1506 D HA 0.046 4.685 4.640 -0.001 0.000 0.191 1506 D C 1.728 178.034 176.300 0.009 0.000 0.994 1506 D CA 2.568 56.570 54.000 0.003 0.000 0.838 1506 D CB -0.874 39.925 40.800 -0.000 0.000 0.976 1506 D HN 0.937 nan 8.370 nan 0.000 0.447 1507 K N 1.815 122.223 120.400 0.014 0.000 2.262 1507 K HA 0.437 4.756 4.320 -0.001 0.000 0.288 1507 K C -1.294 175.322 176.600 0.028 0.000 1.090 1507 K CA -0.485 55.813 56.287 0.018 0.000 0.918 1507 K CB 0.460 32.970 32.500 0.016 0.000 1.139 1507 K HN 0.437 nan 8.250 nan 0.000 0.462 1508 P HA -0.162 nan 4.420 nan 0.000 0.215 1508 P C 1.318 178.638 177.300 0.034 0.000 1.157 1508 P CA 1.703 64.820 63.100 0.029 0.000 0.859 1508 P CB 0.294 32.004 31.700 0.016 0.000 0.786 1509 K N -0.407 120.008 120.400 0.025 0.000 2.379 1509 K HA 0.241 4.561 4.320 -0.001 0.000 0.194 1509 K C 1.333 177.950 176.600 0.028 0.000 1.031 1509 K CA 0.983 57.285 56.287 0.025 0.000 1.037 1509 K CB -1.239 31.270 32.500 0.015 0.000 0.824 1509 K HN 0.435 nan 8.250 nan 0.000 0.516 1510 E N 0.688 120.904 120.200 0.028 0.000 2.366 1510 E HA 0.555 4.904 4.350 -0.001 0.000 0.266 1510 E C 0.231 176.850 176.600 0.033 0.000 1.015 1510 E CA -0.076 56.339 56.400 0.024 0.000 0.906 1510 E CB 0.178 29.889 29.700 0.019 0.000 0.979 1510 E HN 0.889 nan 8.360 nan 0.000 0.443 1511 A N 2.166 125.001 122.820 0.025 0.000 2.327 1511 A HA 0.611 4.931 4.320 -0.001 0.000 0.283 1511 A C -0.132 177.457 177.584 0.008 0.000 1.127 1511 A CA -0.358 51.694 52.037 0.026 0.000 0.810 1511 A CB 0.869 19.879 19.000 0.017 0.000 1.066 1511 A HN 0.853 nan 8.150 nan 0.000 0.492 1512 V N 2.050 121.963 119.914 -0.002 0.000 2.540 1512 V HA 0.367 4.487 4.120 -0.001 0.000 0.302 1512 V C 0.286 176.351 176.094 -0.049 0.000 1.035 1512 V CA -0.543 61.744 62.300 -0.021 0.000 0.873 1512 V CB 1.914 33.723 31.823 -0.024 0.000 0.992 1512 V HN 0.928 nan 8.190 nan 0.000 0.428 1513 T N 5.069 119.588 114.554 -0.059 0.000 2.779 1513 T HA 0.503 4.853 4.350 -0.001 0.000 0.296 1513 T C 0.054 174.701 174.700 -0.087 0.000 0.938 1513 T CA -0.083 61.940 62.100 -0.128 0.000 1.119 1513 T CB 0.853 69.599 68.868 -0.203 0.000 0.891 1513 T HN 0.762 nan 8.240 nan 0.000 0.526 1514 V N 0.192 120.041 119.914 -0.108 0.000 3.119 1514 V HA 1.050 5.169 4.120 -0.001 0.000 0.311 1514 V C -0.722 175.369 176.094 -0.004 0.000 1.259 1514 V CA -1.606 60.682 62.300 -0.020 0.000 1.067 1514 V CB 1.575 33.357 31.823 -0.069 0.000 1.123 1514 V HN 0.917 nan 8.190 nan 0.000 0.463 1515 A N 0.133 122.987 122.820 0.057 0.000 2.355 1515 A HA 0.890 5.210 4.320 -0.001 0.000 0.317 1515 A C -0.959 176.628 177.584 0.006 0.000 1.094 1515 A CA -0.658 51.420 52.037 0.069 0.000 0.764 1515 A CB 1.685 20.772 19.000 0.144 0.000 1.230 1515 A HN 1.352 nan 8.150 nan 0.000 0.448 1516 V N 2.361 122.261 119.914 -0.024 0.000 2.540 1516 V HA 0.477 4.596 4.120 -0.001 0.000 0.302 1516 V C -0.048 176.039 176.094 -0.013 0.000 1.035 1516 V CA -0.670 61.602 62.300 -0.047 0.000 0.873 1516 V CB 1.762 33.487 31.823 -0.162 0.000 0.992 1516 V HN 0.931 nan 8.190 nan 0.000 0.428 1517 K N 6.125 126.545 120.400 0.033 0.000 2.182 1517 K HA 0.858 5.177 4.320 -0.001 0.000 0.262 1517 K C -0.637 176.033 176.600 0.118 0.000 0.957 1517 K CA -0.596 55.727 56.287 0.061 0.000 0.842 1517 K CB 1.497 34.031 32.500 0.056 0.000 1.099 1517 K HN 0.852 nan 8.250 nan 0.000 0.438 1518 M N 2.117 121.795 119.600 0.129 0.000 2.744 1518 M HA 0.432 4.911 4.480 -0.001 0.000 0.283 1518 M C -1.276 175.093 176.300 0.115 0.000 1.275 1518 M CA -1.185 54.230 55.300 0.191 0.000 0.796 1518 M CB 1.091 33.886 32.600 0.324 0.000 1.739 1518 M HN 0.322 nan 8.290 nan 0.000 0.454 1519 L N 2.267 123.548 121.223 0.096 0.000 2.417 1519 L HA 0.344 4.683 4.340 -0.001 0.000 0.268 1519 L C 0.319 177.224 176.870 0.058 0.000 1.158 1519 L CA -0.531 54.342 54.840 0.055 0.000 0.819 1519 L CB 0.769 42.846 42.059 0.030 0.000 1.112 1519 L HN 0.724 nan 8.230 nan 0.000 0.458 1520 K N 1.133 121.554 120.400 0.036 0.000 2.258 1520 K HA 0.063 4.383 4.320 -0.001 0.000 0.264 1520 K C -0.153 176.461 176.600 0.023 0.000 1.007 1520 K CA -0.727 55.579 56.287 0.031 0.000 0.941 1520 K CB 0.702 33.202 32.500 -0.001 0.000 0.966 1520 K HN 0.426 nan 8.250 nan 0.000 0.480 1521 D N 1.707 122.124 120.400 0.029 0.000 2.356 1521 D HA 0.046 4.685 4.640 -0.001 0.000 0.272 1521 D C -0.345 175.958 176.300 0.006 0.000 1.337 1521 D CA 1.914 55.928 54.000 0.023 0.000 0.970 1521 D CB -0.739 40.078 40.800 0.030 0.000 1.092 1521 D HN 0.834 nan 8.370 nan 0.000 0.516 1522 D N 1.338 121.739 120.400 0.002 0.000 2.981 1522 D HA 0.055 4.694 4.640 -0.001 0.000 0.193 1522 D C 0.051 176.343 176.300 -0.013 0.000 1.025 1522 D CA 0.219 54.215 54.000 -0.007 0.000 0.842 1522 D CB -1.544 39.248 40.800 -0.012 0.000 1.010 1522 D HN 0.696 nan 8.370 nan 0.000 0.449 1523 A N 0.674 123.490 122.820 -0.008 0.000 2.440 1523 A HA 0.757 5.076 4.320 -0.001 0.000 0.251 1523 A C 1.450 179.026 177.584 -0.013 0.000 1.089 1523 A CA 0.847 52.878 52.037 -0.011 0.000 0.779 1523 A CB 0.312 19.309 19.000 -0.004 0.000 1.022 1523 A HN 1.693 nan 8.150 nan 0.000 0.492 1524 T N -0.319 114.225 114.554 -0.016 0.000 2.833 1524 T HA 0.546 4.895 4.350 -0.001 0.000 0.312 1524 T C 1.392 176.083 174.700 -0.014 0.000 1.085 1524 T CA 0.541 62.632 62.100 -0.015 0.000 0.955 1524 T CB 0.162 69.019 68.868 -0.017 0.000 1.353 1524 T HN 0.889 nan 8.240 nan 0.000 0.544 1525 E N -0.229 119.963 120.200 -0.013 0.000 2.076 1525 E HA -0.021 4.328 4.350 -0.001 0.000 0.190 1525 E C 2.056 178.648 176.600 -0.014 0.000 0.979 1525 E CA 1.505 57.898 56.400 -0.013 0.000 0.807 1525 E CB -0.703 28.990 29.700 -0.012 0.000 0.761 1525 E HN 0.784 nan 8.360 nan 0.000 0.454 1526 K N 0.129 120.520 120.400 -0.014 0.000 2.148 1526 K HA -0.123 4.197 4.320 -0.001 0.000 0.204 1526 K C 2.386 178.976 176.600 -0.017 0.000 1.050 1526 K CA 1.574 57.852 56.287 -0.016 0.000 0.942 1526 K CB -0.598 31.893 32.500 -0.016 0.000 0.724 1526 K HN 0.421 nan 8.250 nan 0.000 0.446 1527 D N 1.518 121.909 120.400 -0.016 0.000 2.116 1527 D HA -0.222 4.417 4.640 -0.001 0.000 0.193 1527 D C 1.818 178.111 176.300 -0.012 0.000 0.998 1527 D CA 1.662 55.653 54.000 -0.015 0.000 0.836 1527 D CB -0.646 40.145 40.800 -0.015 0.000 0.951 1527 D HN 0.183 nan 8.370 nan 0.000 0.449 1528 L N 0.459 121.675 121.223 -0.012 0.000 2.017 1528 L HA -0.046 4.294 4.340 -0.001 0.000 0.208 1528 L C 2.648 179.509 176.870 -0.015 0.000 1.073 1528 L CA 2.712 57.545 54.840 -0.012 0.000 0.745 1528 L CB -0.739 41.311 42.059 -0.015 0.000 0.894 1528 L HN 0.274 nan 8.230 nan 0.000 0.432 1529 S N -0.891 114.799 115.700 -0.016 0.000 2.400 1529 S HA -0.208 4.261 4.470 -0.001 0.000 0.232 1529 S C 1.656 176.243 174.600 -0.022 0.000 1.025 1529 S CA 1.678 59.867 58.200 -0.019 0.000 0.993 1529 S CB -0.523 62.666 63.200 -0.018 0.000 0.808 1529 S HN 0.639 nan 8.310 nan 0.000 0.478 1530 D N 0.593 120.980 120.400 -0.021 0.000 2.234 1530 D HA -0.007 4.632 4.640 -0.001 0.000 0.205 1530 D C 1.809 178.097 176.300 -0.020 0.000 0.962 1530 D CA 0.536 54.522 54.000 -0.023 0.000 0.855 1530 D CB -0.264 40.522 40.800 -0.023 0.000 0.951 1530 D HN 0.388 nan 8.370 nan 0.000 0.500 1531 L N 0.822 122.037 121.223 -0.013 0.000 2.179 1531 L HA -0.057 4.282 4.340 -0.001 0.000 0.208 1531 L C 2.121 178.980 176.870 -0.019 0.000 1.096 1531 L CA 1.012 55.848 54.840 -0.007 0.000 0.779 1531 L CB -0.243 41.819 42.059 0.005 0.000 0.922 1531 L HN -0.208 nan 8.230 nan 0.000 0.443 1532 V N -0.971 118.929 119.914 -0.024 0.000 2.295 1532 V HA -0.272 3.847 4.120 -0.001 0.000 0.246 1532 V C 2.748 178.814 176.094 -0.047 0.000 1.049 1532 V CA 1.850 64.129 62.300 -0.034 0.000 1.024 1532 V CB -0.951 30.855 31.823 -0.028 0.000 0.648 1532 V HN 0.643 nan 8.190 nan 0.000 0.447 1533 S N -0.605 115.071 115.700 -0.040 0.000 2.370 1533 S HA -0.316 4.154 4.470 -0.001 0.000 0.226 1533 S C 2.092 176.661 174.600 -0.052 0.000 1.033 1533 S CA 2.260 60.432 58.200 -0.046 0.000 1.011 1533 S CB -0.349 62.828 63.200 -0.038 0.000 0.852 1533 S HN 0.715 nan 8.310 nan 0.000 0.457 1534 E N 0.024 120.201 120.200 -0.038 0.000 2.085 1534 E HA -0.214 4.136 4.350 -0.001 0.000 0.194 1534 E C 2.167 178.720 176.600 -0.078 0.000 0.994 1534 E CA 1.517 57.905 56.400 -0.020 0.000 0.801 1534 E CB -0.286 29.418 29.700 0.006 0.000 0.743 1534 E HN 0.716 nan 8.360 nan 0.000 0.453 1535 M N 0.464 120.005 119.600 -0.097 0.000 2.099 1535 M HA -0.168 4.311 4.480 -0.001 0.000 0.262 1535 M C 1.818 177.979 176.300 -0.232 0.000 1.067 1535 M CA 1.544 56.743 55.300 -0.168 0.000 1.124 1535 M CB 0.045 32.565 32.600 -0.133 0.000 1.353 1535 M HN -0.028 nan 8.290 nan 0.000 0.410 1536 E N 0.347 120.447 120.200 -0.166 0.000 2.110 1536 E HA -0.234 4.115 4.350 -0.001 0.000 0.193 1536 E C 1.847 178.343 176.600 -0.173 0.000 0.988 1536 E CA 1.492 57.796 56.400 -0.161 0.000 0.804 1536 E CB -0.610 29.033 29.700 -0.095 0.000 0.745 1536 E HN 0.538 nan 8.360 nan 0.000 0.458 1537 M N 0.288 119.791 119.600 -0.161 0.000 2.086 1537 M HA -0.107 4.373 4.480 -0.001 0.000 0.261 1537 M C 2.105 178.220 176.300 -0.309 0.000 1.067 1537 M CA 1.554 56.747 55.300 -0.177 0.000 1.116 1537 M CB -0.345 32.185 32.600 -0.117 0.000 1.348 1537 M HN 0.017 nan 8.290 nan 0.000 0.407 1538 M N -0.602 118.754 119.600 -0.407 0.000 2.159 1538 M HA -0.235 4.244 4.480 -0.001 0.000 0.263 1538 M C 2.072 178.129 176.300 -0.406 0.000 1.063 1538 M CA 1.663 56.658 55.300 -0.507 0.000 1.110 1538 M CB -0.550 31.768 32.600 -0.469 0.000 1.374 1538 M HN 0.228 nan 8.290 nan 0.000 0.411 1539 K N 0.149 120.289 120.400 -0.434 0.000 2.057 1539 K HA -0.166 4.153 4.320 -0.001 0.000 0.207 1539 K C 2.035 178.563 176.600 -0.120 0.000 1.049 1539 K CA 1.542 57.575 56.287 -0.423 0.000 0.931 1539 K CB -0.211 32.033 32.500 -0.425 0.000 0.714 1539 K HN 0.380 nan 8.250 nan 0.000 0.440 1540 M N 1.416 120.947 119.600 -0.115 0.000 2.193 1540 M HA -0.064 4.415 4.480 -0.001 0.000 0.265 1540 M C 2.069 178.355 176.300 -0.023 0.000 1.071 1540 M CA 1.340 56.615 55.300 -0.042 0.000 1.140 1540 M CB -0.076 32.494 32.600 -0.051 0.000 1.369 1540 M HN 0.152 nan 8.290 nan 0.000 0.423 1541 I N -0.958 119.574 120.570 -0.065 0.000 2.567 1541 I HA 0.166 4.335 4.170 -0.001 0.000 0.257 1541 I C 1.041 177.231 176.117 0.122 0.000 1.184 1541 I CA 0.616 61.908 61.300 -0.014 0.000 1.451 1541 I CB -1.529 36.438 38.000 -0.056 0.000 1.089 1541 I HN 0.454 nan 8.210 nan 0.000 0.441 1542 G N 0.969 109.835 108.800 0.110 0.000 2.781 1542 G HA2 -0.014 3.945 3.960 -0.001 0.000 0.683 1542 G HA3 -0.014 3.945 3.960 -0.001 0.000 0.683 1542 G C -0.316 174.684 174.900 0.167 0.000 1.390 1542 G CA -0.208 44.999 45.100 0.178 0.000 0.850 1542 G HN 0.742 nan 8.290 nan 0.000 0.557 1543 K N 0.758 121.215 120.400 0.096 0.000 2.270 1543 K HA 0.698 5.017 4.320 -0.001 0.000 0.276 1543 K C 0.158 176.654 176.600 -0.173 0.000 1.023 1543 K CA 0.512 56.797 56.287 -0.005 0.000 0.955 1543 K CB 1.041 33.539 32.500 -0.003 0.000 0.975 1543 K HN 1.567 nan 8.250 nan 0.000 0.471 1544 H N 0.893 119.778 119.070 -0.308 0.000 3.029 1544 H HA 0.255 4.810 4.556 -0.001 0.000 0.358 1544 H C 0.448 175.639 175.328 -0.229 0.000 1.129 1544 H CA -0.489 55.285 56.048 -0.457 0.000 1.230 1544 H CB 2.068 31.341 29.762 -0.815 0.000 1.827 1544 H HN 0.761 nan 8.280 nan 0.000 0.530 1545 K N 2.892 122.911 120.400 -0.634 0.000 2.160 1545 K HA -0.141 4.179 4.320 -0.001 0.000 0.206 1545 K C 0.048 176.595 176.600 -0.089 0.000 1.047 1545 K CA 1.916 58.016 56.287 -0.312 0.000 0.930 1545 K CB 0.104 32.397 32.500 -0.345 0.000 0.720 1545 K HN 0.516 nan 8.250 nan 0.000 0.450 1546 N N -0.012 118.776 118.700 0.148 0.000 2.320 1546 N HA 0.230 4.969 4.740 -0.001 0.000 0.237 1546 N C -1.058 174.539 175.510 0.145 0.000 1.129 1546 N CA -0.131 53.014 53.050 0.158 0.000 0.854 1546 N CB 0.695 39.274 38.487 0.153 0.000 1.083 1546 N HN 0.049 nan 8.380 nan 0.000 0.504 1547 I N 0.737 121.397 120.570 0.149 0.000 2.533 1547 I HA 0.279 4.448 4.170 -0.001 0.000 0.290 1547 I C -0.521 175.663 176.117 0.112 0.000 1.056 1547 I CA -1.177 60.222 61.300 0.166 0.000 1.057 1547 I CB 2.039 40.159 38.000 0.200 0.000 1.240 1547 I HN -0.062 nan 8.210 nan 0.000 0.423 1548 I N 6.674 127.325 120.570 0.135 0.000 2.815 1548 I HA -0.034 4.136 4.170 -0.001 0.000 0.291 1548 I C 0.264 176.412 176.117 0.052 0.000 1.209 1548 I CA 0.624 61.972 61.300 0.081 0.000 1.431 1548 I CB 0.078 38.135 38.000 0.096 0.000 1.351 1548 I HN 0.489 nan 8.210 nan 0.000 0.585 1549 N N 6.585 125.301 118.700 0.027 0.000 2.479 1549 N HA 0.234 4.974 4.740 -0.001 0.000 0.285 1549 N C -0.881 174.636 175.510 0.012 0.000 1.075 1549 N CA -0.569 52.493 53.050 0.021 0.000 0.967 1549 N CB 1.483 39.993 38.487 0.039 0.000 1.137 1549 N HN 0.442 nan 8.380 nan 0.000 0.472 1550 L N 2.949 124.157 121.223 -0.025 0.000 2.319 1550 L HA 0.234 4.573 4.340 -0.001 0.000 0.280 1550 L C 0.599 177.552 176.870 0.138 0.000 1.099 1550 L CA 0.322 55.116 54.840 -0.076 0.000 0.828 1550 L CB 0.398 42.228 42.059 -0.381 0.000 1.150 1550 L HN 0.555 nan 8.230 nan 0.000 0.442 1551 L N 4.527 125.828 121.223 0.130 0.000 2.425 1551 L HA 0.547 4.886 4.340 -0.001 0.000 0.215 1551 L C 0.981 178.017 176.870 0.277 0.000 1.065 1551 L CA 0.408 55.358 54.840 0.183 0.000 0.842 1551 L CB -0.121 41.945 42.059 0.012 0.000 1.033 1551 L HN 0.847 nan 8.230 nan 0.000 0.474 1552 G N -0.470 108.474 108.800 0.239 0.000 2.315 1552 G HA2 0.585 4.545 3.960 -0.001 0.000 0.294 1552 G HA3 0.585 4.545 3.960 -0.001 0.000 0.294 1552 G C -2.225 172.790 174.900 0.192 0.000 1.300 1552 G CA 0.057 45.347 45.100 0.317 0.000 0.843 1552 G HN 0.109 nan 8.290 nan 0.000 0.527 1553 A N -1.551 121.418 122.820 0.248 0.000 2.574 1553 A HA 0.655 4.974 4.320 -0.001 0.000 0.297 1553 A C -0.936 176.788 177.584 0.234 0.000 1.062 1553 A CA -0.291 51.863 52.037 0.195 0.000 0.686 1553 A CB 1.234 20.301 19.000 0.112 0.000 1.285 1553 A HN 1.675 nan 8.150 nan 0.000 0.403 1554 C N 2.306 121.739 119.300 0.223 0.000 2.258 1554 C HA 0.570 5.030 4.460 -0.001 0.000 0.321 1554 C C 1.638 176.654 174.990 0.044 0.000 1.168 1554 C CA 0.312 59.432 59.018 0.171 0.000 1.531 1554 C CB -0.567 27.325 27.740 0.252 0.000 2.095 1554 C HN 0.967 nan 8.230 nan 0.000 0.449 1555 T N -1.351 113.225 114.554 0.035 0.000 2.971 1555 T HA 0.109 4.459 4.350 -0.001 0.000 0.252 1555 T C 0.450 175.136 174.700 -0.023 0.000 1.022 1555 T CA 0.243 62.340 62.100 -0.006 0.000 0.980 1555 T CB 0.211 69.090 68.868 0.018 0.000 1.044 1555 T HN 0.538 nan 8.240 nan 0.000 0.501 1556 Q N 1.439 121.234 119.800 -0.009 0.000 2.222 1556 Q HA 0.427 4.766 4.340 -0.001 0.000 0.252 1556 Q C 0.249 176.231 176.000 -0.030 0.000 0.926 1556 Q CA 0.805 56.599 55.803 -0.016 0.000 0.899 1556 Q CB 0.688 29.425 28.738 -0.001 0.000 1.250 1556 Q HN 0.630 nan 8.270 nan 0.000 0.441 1557 D N 0.048 120.430 120.400 -0.030 0.000 2.704 1557 D HA 0.046 4.685 4.640 -0.001 0.000 0.232 1557 D C 0.480 176.751 176.300 -0.047 0.000 1.183 1557 D CA 1.217 55.199 54.000 -0.032 0.000 0.647 1557 D CB -1.491 39.296 40.800 -0.021 0.000 1.013 1557 D HN 0.945 nan 8.370 nan 0.000 0.415 1558 G N -1.487 107.268 108.800 -0.076 0.000 2.324 1558 G HA2 0.580 4.540 3.960 -0.001 0.000 0.293 1558 G HA3 0.580 4.540 3.960 -0.001 0.000 0.293 1558 G C -2.952 171.826 174.900 -0.203 0.000 1.297 1558 G CA 0.013 45.040 45.100 -0.121 0.000 0.853 1558 G HN 0.546 nan 8.290 nan 0.000 0.535 1559 P HA 0.410 nan 4.420 nan 0.000 0.269 1559 P C -0.185 176.757 177.300 -0.597 0.000 1.209 1559 P CA -0.512 62.343 63.100 -0.409 0.000 0.776 1559 P CB 0.743 32.188 31.700 -0.426 0.000 0.876 1560 L N 4.574 125.609 121.223 -0.314 0.000 2.418 1560 L HA 0.195 4.535 4.340 -0.001 0.000 0.274 1560 L C -1.196 175.633 176.870 -0.069 0.000 1.135 1560 L CA 0.275 55.006 54.840 -0.181 0.000 0.870 1560 L CB -1.009 41.015 42.059 -0.058 0.000 1.154 1560 L HN 0.199 nan 8.230 nan 0.000 0.462 1561 Y N 4.442 124.766 120.300 0.039 0.000 2.331 1561 Y HA 0.496 5.047 4.550 0.001 0.000 0.334 1561 Y C -0.242 175.679 175.900 0.035 0.000 0.960 1561 Y CA -1.277 56.849 58.100 0.042 0.000 1.130 1561 Y CB 1.827 40.325 38.460 0.063 0.000 1.164 1561 Y HN 0.245 nan 8.280 nan 0.000 0.458 1562 V N 5.924 125.945 119.914 0.179 0.000 2.328 1562 V HA 0.373 4.492 4.120 -0.001 0.000 0.278 1562 V C 0.078 176.203 176.094 0.051 0.000 1.021 1562 V CA -0.715 61.633 62.300 0.080 0.000 0.838 1562 V CB 0.687 32.529 31.823 0.032 0.000 0.999 1562 V HN 0.558 nan 8.190 nan 0.000 0.447 1563 I N 6.493 127.083 120.570 0.034 0.000 2.325 1563 I HA 0.513 4.683 4.170 -0.001 0.000 0.291 1563 I C 0.017 176.126 176.117 -0.014 0.000 1.019 1563 I CA -0.453 60.840 61.300 -0.012 0.000 1.302 1563 I CB 1.378 39.331 38.000 -0.077 0.000 1.401 1563 I HN 0.515 nan 8.210 nan 0.000 0.485 1564 V N 2.471 122.383 119.914 -0.003 0.000 3.001 1564 V HA 0.554 4.673 4.120 -0.001 0.000 0.314 1564 V C -0.238 175.872 176.094 0.027 0.000 1.099 1564 V CA -0.996 61.311 62.300 0.011 0.000 0.989 1564 V CB 1.793 33.630 31.823 0.023 0.000 1.040 1564 V HN 0.859 nan 8.190 nan 0.000 0.434 1565 E N 1.905 122.124 120.200 0.031 0.000 2.415 1565 E HA 0.143 4.493 4.350 -0.001 0.000 0.262 1565 E C -1.086 175.563 176.600 0.081 0.000 1.038 1565 E CA -0.320 56.109 56.400 0.047 0.000 0.921 1565 E CB 0.448 30.165 29.700 0.028 0.000 0.950 1565 E HN 0.810 nan 8.360 nan 0.000 0.438 1566 Y N 1.679 121.962 120.300 -0.028 0.000 2.316 1566 Y HA 0.385 4.937 4.550 0.003 0.000 0.331 1566 Y C -0.600 175.285 175.900 -0.025 0.000 1.083 1566 Y CA -0.848 57.237 58.100 -0.026 0.000 1.206 1566 Y CB 0.966 39.409 38.460 -0.028 0.000 1.195 1566 Y HN 0.644 nan 8.280 nan 0.000 0.497 1567 A N 4.386 126.812 122.820 -0.656 0.000 2.280 1567 A HA 0.367 4.686 4.320 -0.001 0.000 0.320 1567 A C 0.878 177.934 177.584 -0.880 0.000 1.366 1567 A CA -0.022 51.689 52.037 -0.544 0.000 0.938 1567 A CB -0.182 18.622 19.000 -0.327 0.000 1.157 1567 A HN 0.975 nan 8.150 nan 0.000 0.536 1568 S N 2.236 117.563 115.700 -0.622 0.000 2.500 1568 S HA -0.108 4.362 4.470 -0.001 0.000 0.239 1568 S C 0.950 175.450 174.600 -0.166 0.000 0.989 1568 S CA 1.288 59.278 58.200 -0.351 0.000 0.951 1568 S CB -0.235 62.963 63.200 -0.002 0.000 0.759 1568 S HN 0.683 nan 8.310 nan 0.000 0.523 1569 K N 1.433 121.730 120.400 -0.172 0.000 2.440 1569 K HA 0.397 4.716 4.320 -0.001 0.000 0.206 1569 K C 1.049 177.627 176.600 -0.037 0.000 1.025 1569 K CA 0.158 56.419 56.287 -0.043 0.000 1.135 1569 K CB 0.355 32.865 32.500 0.017 0.000 0.856 1569 K HN 0.466 nan 8.250 nan 0.000 0.502 1570 G N 2.583 111.312 108.800 -0.118 0.000 2.697 1570 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.240 1570 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.240 1570 G C -0.421 174.432 174.900 -0.079 0.000 1.346 1570 G CA -0.202 44.852 45.100 -0.076 0.000 0.887 1570 G HN 0.558 nan 8.290 nan 0.000 0.569 1571 N N -0.687 117.989 118.700 -0.039 0.000 2.424 1571 N HA 0.429 5.168 4.740 -0.001 0.000 0.257 1571 N C 1.387 176.895 175.510 -0.003 0.000 1.250 1571 N CA 0.042 53.067 53.050 -0.041 0.000 0.946 1571 N CB 0.702 39.171 38.487 -0.030 0.000 1.175 1571 N HN 1.014 nan 8.380 nan 0.000 0.477 1572 L N 0.113 121.324 121.223 -0.020 0.000 2.079 1572 L HA -0.110 4.229 4.340 -0.001 0.000 0.210 1572 L C 2.450 179.377 176.870 0.096 0.000 1.081 1572 L CA 1.763 56.621 54.840 0.030 0.000 0.752 1572 L CB -0.757 41.294 42.059 -0.012 0.000 0.896 1572 L HN 0.817 nan 8.230 nan 0.000 0.433 1573 R N -0.500 120.036 120.500 0.061 0.000 2.073 1573 R HA -0.171 4.169 4.340 -0.001 0.000 0.234 1573 R C 2.164 178.500 176.300 0.060 0.000 1.134 1573 R CA 1.858 57.998 56.100 0.066 0.000 0.952 1573 R CB -0.272 30.069 30.300 0.069 0.000 0.850 1573 R HN 0.520 nan 8.270 nan 0.000 0.433 1574 E N -0.597 119.638 120.200 0.059 0.000 2.077 1574 E HA -0.260 4.090 4.350 -0.001 0.000 0.193 1574 E C 1.804 178.445 176.600 0.068 0.000 0.989 1574 E CA 1.536 57.965 56.400 0.049 0.000 0.800 1574 E CB -0.315 29.410 29.700 0.042 0.000 0.746 1574 E HN 0.400 nan 8.360 nan 0.000 0.452 1575 Y N 1.518 121.796 120.300 -0.037 0.000 2.128 1575 Y HA -0.237 4.311 4.550 -0.002 0.000 0.284 1575 Y C 1.944 177.817 175.900 -0.045 0.000 1.154 1575 Y CA 1.550 59.624 58.100 -0.043 0.000 1.149 1575 Y CB -0.210 38.217 38.460 -0.054 0.000 0.976 1575 Y HN -0.056 nan 8.280 nan 0.000 0.505 1576 L N -0.350 120.862 121.223 -0.018 0.000 2.056 1576 L HA -0.176 4.163 4.340 -0.001 0.000 0.207 1576 L C 2.628 179.419 176.870 -0.133 0.000 1.078 1576 L CA 1.284 56.044 54.840 -0.132 0.000 0.749 1576 L CB -0.524 41.512 42.059 -0.038 0.000 0.901 1576 L HN 0.122 nan 8.230 nan 0.000 0.433 1577 R N 0.113 120.572 120.500 -0.069 0.000 2.120 1577 R HA -0.115 4.224 4.340 -0.001 0.000 0.234 1577 R C 2.252 178.506 176.300 -0.077 0.000 1.123 1577 R CA 1.273 57.339 56.100 -0.056 0.000 0.975 1577 R CB -0.387 29.901 30.300 -0.020 0.000 0.866 1577 R HN 0.334 nan 8.270 nan 0.000 0.446 1578 A N 1.302 124.061 122.820 -0.101 0.000 2.168 1578 A HA -0.062 4.257 4.320 -0.001 0.000 0.215 1578 A C 0.971 178.469 177.584 -0.142 0.000 1.152 1578 A CA 0.758 52.732 52.037 -0.105 0.000 0.716 1578 A CB 0.116 19.058 19.000 -0.096 0.000 0.794 1578 A HN 0.108 nan 8.150 nan 0.000 0.465 1579 R N 0.169 120.553 120.500 -0.194 0.000 2.767 1579 R HA 0.336 4.676 4.340 -0.001 0.000 0.377 1579 R C -0.141 176.078 176.300 -0.135 0.000 1.151 1579 R CA -0.195 55.791 56.100 -0.189 0.000 1.046 1579 R CB -0.474 29.651 30.300 -0.292 0.000 1.404 1579 R HN 0.391 nan 8.270 nan 0.000 0.580 1596 E N 2.389 122.548 120.200 -0.069 0.000 2.037 1596 E HA 0.225 4.574 4.350 -0.001 0.000 0.253 1596 E C 0.364 176.911 176.600 -0.087 0.000 1.265 1596 E CA 1.086 57.451 56.400 -0.058 0.000 0.972 1596 E CB -0.448 29.233 29.700 -0.033 0.000 1.054 1596 E HN 0.433 nan 8.360 nan 0.000 0.432 1597 Q N 4.354 124.108 119.800 -0.076 0.000 2.379 1597 Q HA -0.023 4.317 4.340 -0.001 0.000 0.320 1597 Q C 0.328 176.281 176.000 -0.078 0.000 1.153 1597 Q CA 0.598 56.351 55.803 -0.083 0.000 0.993 1597 Q CB 0.058 28.764 28.738 -0.053 0.000 1.265 1597 Q HN 0.579 nan 8.270 nan 0.000 0.423 1598 M N 2.397 121.942 119.600 -0.090 0.000 2.216 1598 M HA 0.381 4.861 4.480 -0.001 0.000 0.356 1598 M C 0.535 176.821 176.300 -0.024 0.000 1.205 1598 M CA -0.200 55.057 55.300 -0.072 0.000 1.122 1598 M CB 0.939 33.474 32.600 -0.107 0.000 1.571 1598 M HN 1.018 nan 8.290 nan 0.000 0.464 1599 T N -1.341 113.214 114.554 0.001 0.000 2.948 1599 T HA 0.419 4.768 4.350 -0.001 0.000 0.285 1599 T C 0.849 175.604 174.700 0.092 0.000 1.019 1599 T CA -0.737 61.397 62.100 0.057 0.000 1.013 1599 T CB 1.173 70.079 68.868 0.064 0.000 1.117 1599 T HN 0.499 nan 8.240 nan 0.000 0.533 1600 F N 1.318 121.285 119.950 0.027 0.000 2.120 1600 F HA -0.040 4.486 4.527 -0.001 0.000 0.300 1600 F C 2.435 178.284 175.800 0.081 0.000 1.095 1600 F CA 2.017 60.061 58.000 0.074 0.000 1.249 1600 F CB -0.283 38.758 39.000 0.069 0.000 0.995 1600 F HN 0.737 nan 8.300 nan 0.000 0.480 1601 K N 0.208 120.605 120.400 -0.005 0.000 2.063 1601 K HA -0.216 4.103 4.320 -0.001 0.000 0.208 1601 K C 1.812 178.334 176.600 -0.130 0.000 1.048 1601 K CA 2.014 58.243 56.287 -0.097 0.000 0.928 1601 K CB -0.433 32.084 32.500 0.029 0.000 0.713 1601 K HN 0.311 nan 8.250 nan 0.000 0.442 1602 D N 0.886 121.241 120.400 -0.075 0.000 2.144 1602 D HA -0.168 4.472 4.640 -0.001 0.000 0.199 1602 D C 2.065 178.290 176.300 -0.125 0.000 0.984 1602 D CA 1.040 55.003 54.000 -0.062 0.000 0.834 1602 D CB -0.096 40.688 40.800 -0.026 0.000 0.955 1602 D HN 0.286 nan 8.370 nan 0.000 0.465 1603 L N 0.616 121.706 121.223 -0.222 0.000 2.056 1603 L HA -0.125 4.214 4.340 -0.001 0.000 0.207 1603 L C 2.638 179.291 176.870 -0.362 0.000 1.078 1603 L CA 0.570 55.169 54.840 -0.403 0.000 0.749 1603 L CB -0.420 41.273 42.059 -0.610 0.000 0.901 1603 L HN -0.081 nan 8.230 nan 0.000 0.433 1604 V N -0.972 118.765 119.914 -0.295 0.000 2.343 1604 V HA -0.282 3.837 4.120 -0.001 0.000 0.247 1604 V C 2.714 178.800 176.094 -0.013 0.000 1.051 1604 V CA 1.958 64.182 62.300 -0.126 0.000 1.036 1604 V CB -0.372 31.294 31.823 -0.263 0.000 0.654 1604 V HN 0.450 nan 8.190 nan 0.000 0.451 1605 S N -0.968 114.709 115.700 -0.039 0.000 2.359 1605 S HA -0.254 4.215 4.470 -0.001 0.000 0.224 1605 S C 2.107 176.759 174.600 0.086 0.000 1.035 1605 S CA 2.166 60.399 58.200 0.055 0.000 1.018 1605 S CB -0.568 62.645 63.200 0.022 0.000 0.876 1605 S HN 0.673 nan 8.310 nan 0.000 0.448 1606 C N 1.116 120.416 119.300 -0.001 0.000 2.413 1606 C HA -0.056 4.404 4.460 -0.001 0.000 0.276 1606 C C 2.897 177.900 174.990 0.021 0.000 1.236 1606 C CA 1.513 60.521 59.018 -0.016 0.000 1.735 1606 C CB -1.858 25.836 27.740 -0.076 0.000 2.031 1606 C HN 0.680 nan 8.230 nan 0.000 0.474 1607 T N -0.181 114.389 114.554 0.027 0.000 2.708 1607 T HA -0.224 4.125 4.350 -0.001 0.000 0.266 1607 T C 1.595 176.465 174.700 0.284 0.000 1.037 1607 T CA 1.932 64.112 62.100 0.135 0.000 1.146 1607 T CB -0.562 68.412 68.868 0.177 0.000 0.865 1607 T HN 0.631 nan 8.240 nan 0.000 0.435 1608 Y N 2.152 122.528 120.300 0.127 0.000 2.128 1608 Y HA -0.224 4.326 4.550 -0.001 0.000 0.284 1608 Y C 2.522 178.488 175.900 0.110 0.000 1.154 1608 Y CA 1.467 59.638 58.100 0.118 0.000 1.149 1608 Y CB -0.606 37.893 38.460 0.064 0.000 0.976 1608 Y HN 0.272 nan 8.280 nan 0.000 0.505 1609 Q N -0.196 119.589 119.800 -0.025 0.000 2.096 1609 Q HA -0.192 4.147 4.340 -0.001 0.000 0.204 1609 Q C 2.329 178.287 176.000 -0.070 0.000 0.982 1609 Q CA 2.016 57.752 55.803 -0.111 0.000 0.850 1609 Q CB -0.296 28.439 28.738 -0.005 0.000 0.901 1609 Q HN 0.515 nan 8.270 nan 0.000 0.422 1610 L N -0.046 121.201 121.223 0.040 0.000 2.109 1610 L HA -0.109 4.231 4.340 -0.001 0.000 0.207 1610 L C 2.477 179.417 176.870 0.117 0.000 1.086 1610 L CA 0.724 55.629 54.840 0.107 0.000 0.760 1610 L CB -0.503 41.666 42.059 0.183 0.000 0.910 1610 L HN 0.197 nan 8.230 nan 0.000 0.437 1611 A N 0.134 123.036 122.820 0.138 0.000 1.933 1611 A HA -0.183 4.136 4.320 -0.001 0.000 0.218 1611 A C 2.406 179.846 177.584 -0.239 0.000 1.175 1611 A CA 1.310 53.246 52.037 -0.167 0.000 0.628 1611 A CB -0.394 18.550 19.000 -0.094 0.000 0.814 1611 A HN 0.305 nan 8.150 nan 0.000 0.444 1612 R N -0.947 119.399 120.500 -0.257 0.000 2.075 1612 R HA -0.092 4.248 4.340 -0.001 0.000 0.232 1612 R C 2.453 178.597 176.300 -0.259 0.000 1.126 1612 R CA 1.142 57.103 56.100 -0.232 0.000 0.963 1612 R CB -0.692 29.459 30.300 -0.247 0.000 0.858 1612 R HN 0.527 nan 8.270 nan 0.000 0.435 1613 G N 1.113 109.774 108.800 -0.232 0.000 2.446 1613 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.217 1613 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.217 1613 G C 1.413 176.118 174.900 -0.325 0.000 1.168 1613 G CA 0.592 45.496 45.100 -0.326 0.000 0.771 1613 G HN 0.073 nan 8.290 nan 0.000 0.551 1614 M N 0.543 119.894 119.600 -0.415 0.000 2.229 1614 M HA 0.031 4.510 4.480 -0.001 0.000 0.264 1614 M C 2.250 178.124 176.300 -0.710 0.000 1.063 1614 M CA 1.006 55.867 55.300 -0.733 0.000 1.114 1614 M CB -0.953 30.793 32.600 -1.424 0.000 1.387 1614 M HN 0.508 nan 8.290 nan 0.000 0.420 1615 E N -0.383 119.539 120.200 -0.463 0.000 2.077 1615 E HA -0.261 4.088 4.350 -0.001 0.000 0.193 1615 E C 2.072 178.581 176.600 -0.153 0.000 0.989 1615 E CA 1.350 57.643 56.400 -0.178 0.000 0.800 1615 E CB -0.273 29.383 29.700 -0.073 0.000 0.746 1615 E HN 0.520 nan 8.360 nan 0.000 0.452 1616 Y N 0.632 120.743 120.300 -0.316 0.000 2.145 1616 Y HA -0.219 4.331 4.550 -0.000 0.000 0.286 1616 Y C 2.163 177.952 175.900 -0.185 0.000 1.145 1616 Y CA 1.523 59.460 58.100 -0.272 0.000 1.148 1616 Y CB -0.258 37.878 38.460 -0.540 0.000 0.981 1616 Y HN 0.172 nan 8.280 nan 0.000 0.507 1617 L N 0.842 121.968 121.223 -0.162 0.000 2.012 1617 L HA -0.141 4.198 4.340 -0.001 0.000 0.210 1617 L C 2.483 179.272 176.870 -0.136 0.000 1.073 1617 L CA 2.225 56.999 54.840 -0.111 0.000 0.748 1617 L CB -1.378 40.702 42.059 0.035 0.000 0.891 1617 L HN 0.301 nan 8.230 nan 0.000 0.431 1618 A N -1.106 121.621 122.820 -0.155 0.000 1.972 1618 A HA -0.205 4.114 4.320 -0.001 0.000 0.219 1618 A C 2.441 179.839 177.584 -0.309 0.000 1.169 1618 A CA 1.847 53.749 52.037 -0.226 0.000 0.635 1618 A CB -1.063 17.837 19.000 -0.166 0.000 0.810 1618 A HN 0.669 nan 8.150 nan 0.000 0.446 1619 S N -0.832 114.713 115.700 -0.259 0.000 2.474 1619 S HA -0.123 4.346 4.470 -0.001 0.000 0.235 1619 S C 1.432 175.900 174.600 -0.219 0.000 0.997 1619 S CA 1.097 59.162 58.200 -0.226 0.000 0.949 1619 S CB -0.254 62.820 63.200 -0.210 0.000 0.766 1619 S HN 0.580 nan 8.310 nan 0.000 0.517 1620 Q N 0.917 120.565 119.800 -0.254 0.000 2.360 1620 Q HA 0.242 4.581 4.340 -0.001 0.000 0.202 1620 Q C -0.164 175.808 176.000 -0.045 0.000 0.915 1620 Q CA 0.090 55.785 55.803 -0.181 0.000 0.943 1620 Q CB -0.201 28.396 28.738 -0.236 0.000 1.064 1620 Q HN 0.661 nan 8.270 nan 0.000 0.511 1621 K N -0.091 120.317 120.400 0.013 0.000 3.096 1621 K HA -0.167 4.152 4.320 -0.001 0.000 0.266 1621 K C -0.865 175.872 176.600 0.227 0.000 1.043 1621 K CA 0.268 56.676 56.287 0.201 0.000 0.758 1621 K CB -1.982 30.597 32.500 0.132 0.000 1.260 1621 K HN 0.254 nan 8.250 nan 0.000 0.481 1622 C N 0.594 120.042 119.300 0.246 0.000 2.561 1622 C HA 0.723 5.183 4.460 -0.001 0.000 0.319 1622 C C 0.534 175.661 174.990 0.227 0.000 1.198 1622 C CA -1.096 58.019 59.018 0.162 0.000 1.665 1622 C CB 0.741 28.539 27.740 0.097 0.000 2.258 1622 C HN 0.450 nan 8.230 nan 0.000 0.493 1623 I N 0.730 121.377 120.570 0.129 0.000 2.648 1623 I HA 0.426 4.595 4.170 -0.001 0.000 0.304 1623 I C 0.951 177.159 176.117 0.152 0.000 1.009 1623 I CA -0.350 61.045 61.300 0.158 0.000 1.114 1623 I CB 1.083 39.126 38.000 0.072 0.000 1.293 1623 I HN 0.731 nan 8.210 nan 0.000 0.449 1624 H N 4.308 123.430 119.070 0.087 0.000 2.370 1624 H HA 0.184 4.739 4.556 -0.001 0.000 0.304 1624 H C 0.858 176.169 175.328 -0.029 0.000 1.055 1624 H CA 1.324 57.368 56.048 -0.007 0.000 1.373 1624 H CB 0.488 30.204 29.762 -0.078 0.000 1.423 1624 H HN 0.801 nan 8.280 nan 0.000 0.533 1625 R N -0.493 120.151 120.500 0.241 0.000 3.977 1625 R HA -0.175 4.164 4.340 -0.001 0.000 0.428 1625 R C -0.446 175.975 176.300 0.202 0.000 1.079 1625 R CA 1.258 57.459 56.100 0.168 0.000 1.269 1625 R CB -1.319 28.939 30.300 -0.070 0.000 1.856 1625 R HN 0.308 nan 8.270 nan 0.000 0.551 1626 D N 0.030 120.660 120.400 0.383 0.000 2.914 1626 D HA 0.115 4.754 4.640 -0.001 0.000 0.349 1626 D C -1.007 175.313 176.300 0.033 0.000 1.540 1626 D CA -0.396 53.713 54.000 0.182 0.000 0.778 1626 D CB 0.323 41.172 40.800 0.081 0.000 1.213 1626 D HN 0.008 nan 8.370 nan 0.000 0.451 1627 L N 1.782 122.972 121.223 -0.056 0.000 2.500 1627 L HA 0.563 4.902 4.340 -0.001 0.000 0.272 1627 L C -0.372 176.416 176.870 -0.136 0.000 1.149 1627 L CA 0.338 55.020 54.840 -0.263 0.000 0.897 1627 L CB 0.096 42.114 42.059 -0.068 0.000 1.178 1627 L HN 0.193 nan 8.230 nan 0.000 0.473 1628 A N 3.944 126.621 122.820 -0.237 0.000 2.586 1628 A HA 0.685 5.005 4.320 -0.001 0.000 0.291 1628 A C 0.536 178.043 177.584 -0.128 0.000 1.062 1628 A CA -0.162 51.714 52.037 -0.269 0.000 0.666 1628 A CB 0.283 18.681 19.000 -1.003 0.000 1.281 1628 A HN 0.971 nan 8.150 nan 0.000 0.421 1629 A N 0.733 123.567 122.820 0.022 0.000 1.948 1629 A HA -0.183 4.136 4.320 -0.001 0.000 0.220 1629 A C 1.941 179.501 177.584 -0.040 0.000 1.177 1629 A CA 2.208 54.257 52.037 0.020 0.000 0.636 1629 A CB -0.680 18.383 19.000 0.105 0.000 0.815 1629 A HN 1.158 nan 8.150 nan 0.000 0.449 1630 R N -0.883 119.568 120.500 -0.082 0.000 2.193 1630 R HA -0.024 4.316 4.340 -0.001 0.000 0.229 1630 R C 0.342 176.582 176.300 -0.099 0.000 1.110 1630 R CA 1.518 57.566 56.100 -0.088 0.000 0.988 1630 R CB -0.424 29.802 30.300 -0.122 0.000 0.871 1630 R HN 0.343 nan 8.270 nan 0.000 0.458 1631 N N 0.625 119.245 118.700 -0.133 0.000 2.251 1631 N HA 0.146 4.886 4.740 -0.001 0.000 0.217 1631 N C -1.143 174.301 175.510 -0.111 0.000 1.124 1631 N CA 0.036 53.017 53.050 -0.114 0.000 0.843 1631 N CB 1.368 39.780 38.487 -0.125 0.000 1.024 1631 N HN -0.032 nan 8.380 nan 0.000 0.501 1632 V N 1.635 121.490 119.914 -0.098 0.000 2.495 1632 V HA 0.477 4.596 4.120 -0.001 0.000 0.298 1632 V C -0.014 176.024 176.094 -0.092 0.000 1.031 1632 V CA -0.717 61.527 62.300 -0.093 0.000 0.871 1632 V CB 2.368 34.136 31.823 -0.090 0.000 0.988 1632 V HN -0.019 nan 8.190 nan 0.000 0.432 1633 L N 4.524 125.686 121.223 -0.101 0.000 2.322 1633 L HA 0.783 5.123 4.340 -0.001 0.000 0.269 1633 L C -0.878 175.875 176.870 -0.194 0.000 1.012 1633 L CA -1.041 53.719 54.840 -0.134 0.000 0.815 1633 L CB 2.196 44.185 42.059 -0.118 0.000 1.295 1633 L HN 0.314 nan 8.230 nan 0.000 0.438 1634 V N -0.541 119.216 119.914 -0.262 0.000 2.531 1634 V HA 0.377 4.496 4.120 -0.001 0.000 0.301 1634 V C 0.279 176.200 176.094 -0.287 0.000 1.034 1634 V CA -0.709 61.372 62.300 -0.366 0.000 0.865 1634 V CB 1.701 33.087 31.823 -0.728 0.000 0.995 1634 V HN 0.930 nan 8.190 nan 0.000 0.424 1635 T N 0.307 114.726 114.554 -0.226 0.000 2.754 1635 T HA 0.235 4.584 4.350 -0.001 0.000 0.286 1635 T C 1.080 175.704 174.700 -0.128 0.000 0.997 1635 T CA 0.135 62.136 62.100 -0.165 0.000 0.982 1635 T CB 1.140 69.941 68.868 -0.112 0.000 1.027 1635 T HN 0.647 nan 8.240 nan 0.000 0.529 1636 E N 0.753 120.907 120.200 -0.078 0.000 2.130 1636 E HA -0.171 4.179 4.350 -0.001 0.000 0.196 1636 E C 1.158 177.746 176.600 -0.019 0.000 0.998 1636 E CA 1.494 57.877 56.400 -0.030 0.000 0.806 1636 E CB -0.378 29.321 29.700 -0.002 0.000 0.738 1636 E HN 0.627 nan 8.360 nan 0.000 0.459 1637 N N 1.139 119.819 118.700 -0.032 0.000 2.327 1637 N HA 0.039 4.778 4.740 -0.001 0.000 0.231 1637 N C -0.638 174.852 175.510 -0.033 0.000 1.130 1637 N CA 0.240 53.278 53.050 -0.020 0.000 0.845 1637 N CB 0.176 38.652 38.487 -0.018 0.000 1.073 1637 N HN 0.170 nan 8.380 nan 0.000 0.496 1638 N N -0.480 118.182 118.700 -0.064 0.000 2.725 1638 N HA -0.147 4.592 4.740 -0.001 0.000 0.249 1638 N C -0.626 174.806 175.510 -0.131 0.000 1.103 1638 N CA 0.407 53.390 53.050 -0.112 0.000 0.707 1638 N CB -1.615 36.875 38.487 0.005 0.000 1.043 1638 N HN 0.054 nan 8.380 nan 0.000 0.553 1639 V N 1.486 121.325 119.914 -0.124 0.000 2.546 1639 V HA 0.257 4.377 4.120 -0.001 0.000 0.284 1639 V C 1.026 177.039 176.094 -0.135 0.000 1.050 1639 V CA -0.356 61.884 62.300 -0.100 0.000 0.981 1639 V CB 1.509 33.288 31.823 -0.075 0.000 0.990 1639 V HN 0.107 nan 8.190 nan 0.000 0.474 1640 M N 5.488 125.024 119.600 -0.106 0.000 2.185 1640 M HA 0.381 4.860 4.480 -0.001 0.000 0.357 1640 M C -0.252 176.008 176.300 -0.067 0.000 1.260 1640 M CA -0.092 55.143 55.300 -0.107 0.000 1.124 1640 M CB 0.660 33.216 32.600 -0.073 0.000 1.600 1640 M HN 0.440 nan 8.290 nan 0.000 0.467 1641 K N 4.722 125.079 120.400 -0.072 0.000 2.502 1641 K HA 0.534 4.853 4.320 -0.001 0.000 0.254 1641 K C -0.568 176.026 176.600 -0.010 0.000 0.947 1641 K CA -0.461 55.812 56.287 -0.024 0.000 0.834 1641 K CB 1.785 34.266 32.500 -0.032 0.000 1.112 1641 K HN 0.681 nan 8.250 nan 0.000 0.427 1642 I N 2.415 123.002 120.570 0.028 0.000 2.556 1642 I HA 0.119 4.288 4.170 -0.001 0.000 0.284 1642 I C 0.628 176.800 176.117 0.092 0.000 1.114 1642 I CA 0.268 61.569 61.300 0.001 0.000 1.418 1642 I CB 0.798 38.804 38.000 0.010 0.000 1.394 1642 I HN 0.643 nan 8.210 nan 0.000 0.552 1643 A N 4.349 127.169 122.820 0.000 0.000 2.507 1643 A HA 0.554 4.873 4.320 -0.001 0.000 0.284 1643 A C -0.490 177.060 177.584 -0.057 0.000 1.281 1643 A CA -0.461 51.623 52.037 0.078 0.000 0.744 1643 A CB 0.955 19.993 19.000 0.063 0.000 1.332 1643 A HN 0.691 nan 8.150 nan 0.000 0.454 1644 D N -1.566 118.855 120.400 0.035 0.000 3.278 1644 D HA -0.154 4.485 4.640 -0.001 0.000 0.233 1644 D C -0.833 175.324 176.300 -0.240 0.000 1.149 1644 D CA 0.619 54.605 54.000 -0.023 0.000 0.957 1644 D CB -1.237 39.542 40.800 -0.034 0.000 0.913 1644 D HN 0.416 nan 8.370 nan 0.000 0.409 1645 F N 0.593 120.456 119.950 -0.146 0.000 2.777 1645 F HA 0.351 4.877 4.527 -0.002 0.000 0.291 1645 F C 2.232 177.903 175.800 -0.216 0.000 1.187 1645 F CA 0.194 58.025 58.000 -0.282 0.000 1.406 1645 F CB 0.314 39.197 39.000 -0.195 0.000 0.982 1645 F HN 0.356 nan 8.300 nan 0.000 0.509 1646 G N -0.056 108.696 108.800 -0.079 0.000 2.448 1646 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.219 1646 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.219 1646 G C 1.418 176.266 174.900 -0.087 0.000 1.127 1646 G CA 0.629 45.695 45.100 -0.057 0.000 0.766 1646 G HN 0.445 nan 8.290 nan 0.000 0.552 1647 L N 0.242 121.376 121.223 -0.148 0.000 2.766 1647 L HA 0.406 4.746 4.340 -0.001 0.000 0.242 1647 L C 1.501 178.271 176.870 -0.166 0.000 1.136 1647 L CA -0.461 54.291 54.840 -0.147 0.000 0.933 1647 L CB 0.271 42.251 42.059 -0.132 0.000 1.241 1647 L HN 0.173 nan 8.230 nan 0.000 0.522 1648 A N 1.241 123.955 122.820 -0.176 0.000 2.531 1648 A HA 0.398 4.717 4.320 -0.001 0.000 0.236 1648 A C 0.039 177.592 177.584 -0.052 0.000 1.062 1648 A CA 0.345 52.322 52.037 -0.100 0.000 0.760 1648 A CB 0.170 19.196 19.000 0.042 0.000 0.995 1648 A HN 0.199 nan 8.150 nan 0.000 0.501 1649 R N 1.211 121.690 120.500 -0.035 0.000 2.725 1649 R HA 0.327 4.666 4.340 -0.001 0.000 0.277 1649 R C -1.571 174.725 176.300 -0.007 0.000 0.987 1649 R CA -0.842 55.236 56.100 -0.037 0.000 0.901 1649 R CB 1.677 31.933 30.300 -0.074 0.000 1.207 1649 R HN 0.823 nan 8.270 nan 0.000 0.463 1650 D N 3.048 123.442 120.400 -0.010 0.000 2.380 1650 D HA 0.154 4.793 4.640 -0.001 0.000 0.230 1650 D C 0.625 176.924 176.300 -0.000 0.000 1.154 1650 D CA -0.424 53.577 54.000 0.002 0.000 0.859 1650 D CB 0.477 41.273 40.800 -0.005 0.000 1.045 1650 D HN 0.578 nan 8.370 nan 0.000 0.495 1651 I N 0.868 121.442 120.570 0.006 0.000 3.731 1651 I HA 0.287 4.457 4.170 -0.001 0.000 0.341 1651 I C 0.806 176.936 176.117 0.022 0.000 1.532 1651 I CA -0.683 60.616 61.300 -0.003 0.000 1.163 1651 I CB 0.003 37.976 38.000 -0.045 0.000 1.339 1651 I HN 0.085 nan 8.210 nan 0.000 0.449 1652 N N 2.180 120.896 118.700 0.027 0.000 2.244 1652 N HA -0.097 4.643 4.740 -0.001 0.000 0.183 1652 N C 1.042 176.567 175.510 0.025 0.000 1.016 1652 N CA 1.283 54.353 53.050 0.032 0.000 0.866 1652 N CB 0.007 38.507 38.487 0.022 0.000 0.980 1652 N HN 0.679 nan 8.380 nan 0.000 0.430 1653 N N 0.322 119.032 118.700 0.016 0.000 2.356 1653 N HA 0.100 4.839 4.740 -0.001 0.000 0.178 1653 N C 1.540 177.058 175.510 0.014 0.000 1.075 1653 N CA 0.184 53.243 53.050 0.014 0.000 0.889 1653 N CB 0.631 39.124 38.487 0.009 0.000 0.999 1653 N HN 0.321 nan 8.380 nan 0.000 0.464 1654 I N -3.389 117.189 120.570 0.013 0.000 4.323 1654 I HA 0.269 4.439 4.170 -0.001 0.000 0.328 1654 I C -0.714 175.412 176.117 0.014 0.000 1.310 1654 I CA -0.276 61.031 61.300 0.013 0.000 1.186 1654 I CB 0.305 38.311 38.000 0.010 0.000 1.130 1654 I HN -0.254 nan 8.210 nan 0.000 0.411 1659 K N 2.076 122.560 120.400 0.139 0.000 2.144 1659 K HA 0.414 4.734 4.320 -0.001 0.000 0.270 1659 K C -0.392 176.249 176.600 0.069 0.000 1.005 1659 K CA -0.518 55.815 56.287 0.077 0.000 0.932 1659 K CB 1.683 34.225 32.500 0.069 0.000 1.021 1659 K HN 0.407 nan 8.250 nan 0.000 0.462 1660 T N 0.489 115.067 114.554 0.040 0.000 3.016 1660 T HA -0.007 4.342 4.350 -0.001 0.000 0.271 1660 T C 0.892 175.606 174.700 0.024 0.000 0.968 1660 T CA 0.389 62.508 62.100 0.032 0.000 0.891 1660 T CB 0.287 69.169 68.868 0.023 0.000 1.149 1660 T HN 0.894 nan 8.240 nan 0.000 0.524 1661 T N 1.070 115.635 114.554 0.019 0.000 5.193 1661 T HA 0.538 4.887 4.350 -0.001 0.000 0.380 1661 T C 0.717 175.427 174.700 0.017 0.000 1.047 1661 T CA 0.630 62.737 62.100 0.011 0.000 0.901 1661 T CB -0.551 68.318 68.868 0.001 0.000 1.613 1661 T HN 0.517 nan 8.240 nan 0.000 0.435 1662 N N -2.045 116.663 118.700 0.012 0.000 3.526 1662 N HA 0.661 5.401 4.740 -0.001 0.000 0.328 1662 N C 0.241 175.760 175.510 0.014 0.000 1.601 1662 N CA -0.265 52.796 53.050 0.018 0.000 0.834 1662 N CB 0.608 39.102 38.487 0.012 0.000 1.983 1662 N HN 1.946 nan 8.380 nan 0.000 0.579 1663 G N -3.201 105.609 108.800 0.017 0.000 2.484 1663 G HA2 0.530 4.489 3.960 -0.001 0.000 0.685 1663 G HA3 0.530 4.489 3.960 -0.001 0.000 0.685 1663 G C -0.159 174.759 174.900 0.031 0.000 1.294 1663 G CA 0.570 45.678 45.100 0.014 0.000 0.879 1663 G HN 1.886 nan 8.290 nan 0.000 0.646 1664 R N -0.118 120.399 120.500 0.029 0.000 2.491 1664 R HA 0.786 5.125 4.340 -0.001 0.000 0.283 1664 R C 0.253 176.588 176.300 0.058 0.000 1.072 1664 R CA 0.595 56.725 56.100 0.049 0.000 1.048 1664 R CB 0.270 30.596 30.300 0.043 0.000 0.983 1664 R HN 1.110 nan 8.270 nan 0.000 0.450 1665 L N 3.257 124.532 121.223 0.088 0.000 2.371 1665 L HA 0.562 4.901 4.340 -0.001 0.000 0.262 1665 L C -1.735 175.212 176.870 0.128 0.000 1.006 1665 L CA -2.207 52.694 54.840 0.102 0.000 0.818 1665 L CB 3.062 45.198 42.059 0.129 0.000 1.354 1665 L HN 0.637 nan 8.230 nan 0.000 0.415 1666 P HA -0.004 nan 4.420 nan 0.000 0.230 1666 P C 1.004 178.487 177.300 0.305 0.000 1.791 1666 P CA -0.133 63.104 63.100 0.228 0.000 1.020 1666 P CB 0.226 32.006 31.700 0.134 0.000 1.977 1667 V N 1.182 121.199 119.914 0.172 0.000 2.317 1667 V HA -0.290 3.829 4.120 -0.001 0.000 0.251 1667 V C 1.919 177.990 176.094 -0.038 0.000 1.065 1667 V CA 1.567 63.867 62.300 0.000 0.000 1.049 1667 V CB -1.204 30.527 31.823 -0.154 0.000 0.651 1667 V HN 0.173 nan 8.190 nan 0.000 0.450 1668 K N -1.254 119.186 120.400 0.066 0.000 2.515 1668 K HA -0.054 4.266 4.320 -0.001 0.000 0.196 1668 K C 1.572 178.098 176.600 -0.122 0.000 1.038 1668 K CA 1.390 57.604 56.287 -0.122 0.000 0.967 1668 K CB -0.168 32.166 32.500 -0.277 0.000 0.780 1668 K HN 0.743 nan 8.250 nan 0.000 0.483 1669 W N 0.031 121.411 121.300 0.133 0.000 3.008 1669 W HA 0.248 4.908 4.660 -0.000 0.000 0.355 1669 W C 0.029 176.704 176.519 0.259 0.000 1.095 1669 W CA -0.398 57.089 57.345 0.235 0.000 1.738 1669 W CB 0.324 29.897 29.460 0.188 0.000 1.091 1669 W HN -0.048 nan 8.180 nan 0.000 0.574 1670 M N 0.615 120.346 119.600 0.217 0.000 2.233 1670 M HA 0.424 4.903 4.480 -0.001 0.000 0.355 1670 M C 0.593 176.517 176.300 -0.627 0.000 1.191 1670 M CA -0.268 54.995 55.300 -0.062 0.000 1.101 1670 M CB 1.453 33.999 32.600 -0.091 0.000 1.592 1670 M HN -0.257 nan 8.290 nan 0.000 0.461 1671 A N 4.275 126.588 122.820 -0.846 0.000 2.445 1671 A HA 0.285 4.605 4.320 -0.001 0.000 0.242 1671 A C -1.858 175.069 177.584 -1.095 0.000 1.075 1671 A CA -1.165 49.972 52.037 -1.500 0.000 0.777 1671 A CB -0.404 18.212 19.000 -0.640 0.000 1.013 1671 A HN 0.640 nan 8.150 nan 0.000 0.493 1672 P HA -0.235 nan 4.420 nan 0.000 0.216 1672 P C 1.392 178.354 177.300 -0.562 0.000 1.153 1672 P CA 1.755 64.372 63.100 -0.805 0.000 0.858 1672 P CB 0.088 31.554 31.700 -0.389 0.000 0.789 1673 E N -0.007 119.971 120.200 -0.371 0.000 2.204 1673 E HA -0.151 4.198 4.350 -0.001 0.000 0.194 1673 E C 1.791 178.186 176.600 -0.342 0.000 0.989 1673 E CA 1.664 57.926 56.400 -0.231 0.000 0.824 1673 E CB -1.012 28.598 29.700 -0.150 0.000 0.756 1673 E HN 0.172 nan 8.360 nan 0.000 0.477 1674 A N 1.525 124.026 122.820 -0.532 0.000 1.930 1674 A HA 0.081 4.401 4.320 -0.001 0.000 0.215 1674 A C 2.425 179.676 177.584 -0.555 0.000 1.176 1674 A CA 0.639 52.199 52.037 -0.795 0.000 0.632 1674 A CB -0.472 17.899 19.000 -1.048 0.000 0.819 1674 A HN 0.208 nan 8.150 nan 0.000 0.445 1675 L N -1.846 119.043 121.223 -0.558 0.000 2.023 1675 L HA -0.084 4.255 4.340 -0.001 0.000 0.205 1675 L C 2.457 179.161 176.870 -0.277 0.000 1.073 1675 L CA 1.435 55.983 54.840 -0.487 0.000 0.745 1675 L CB -0.526 41.000 42.059 -0.888 0.000 0.900 1675 L HN 0.472 nan 8.230 nan 0.000 0.435 1676 F N -0.700 119.199 119.950 -0.085 0.000 2.317 1676 F HA -0.052 4.475 4.527 -0.001 0.000 0.293 1676 F C 1.804 177.568 175.800 -0.060 0.000 1.085 1676 F CA 0.128 58.099 58.000 -0.049 0.000 1.390 1676 F CB 0.083 39.051 39.000 -0.053 0.000 1.077 1676 F HN 0.068 nan 8.300 nan 0.000 0.517 1677 D N -0.199 120.233 120.400 0.055 0.000 2.398 1677 D HA 0.131 4.771 4.640 -0.001 0.000 0.210 1677 D C 1.482 177.763 176.300 -0.031 0.000 1.094 1677 D CA 0.696 54.704 54.000 0.013 0.000 0.839 1677 D CB 0.223 41.021 40.800 -0.002 0.000 0.963 1677 D HN 0.149 nan 8.370 nan 0.000 0.506 1678 R N -0.063 120.382 120.500 -0.092 0.000 3.770 1678 R HA -0.160 4.179 4.340 -0.001 0.000 0.305 1678 R C 0.058 176.311 176.300 -0.080 0.000 1.184 1678 R CA 1.026 57.084 56.100 -0.069 0.000 0.823 1678 R CB -3.103 27.232 30.300 0.058 0.000 1.285 1678 R HN 0.163 nan 8.270 nan 0.000 0.499 1679 V N 0.613 120.393 119.914 -0.222 0.000 2.398 1679 V HA 0.731 4.851 4.120 -0.001 0.000 0.286 1679 V C -0.178 175.757 176.094 -0.266 0.000 1.026 1679 V CA -0.995 61.234 62.300 -0.118 0.000 0.868 1679 V CB 1.446 33.229 31.823 -0.067 0.000 0.982 1679 V HN 0.440 nan 8.190 nan 0.000 0.443 1680 Y N 2.800 123.088 120.300 -0.021 0.000 2.429 1680 Y HA 0.755 5.304 4.550 -0.001 0.000 0.342 1680 Y C 0.616 176.494 175.900 -0.036 0.000 1.004 1680 Y CA -0.579 57.511 58.100 -0.017 0.000 1.075 1680 Y CB 2.467 40.922 38.460 -0.007 0.000 1.214 1680 Y HN 0.761 nan 8.280 nan 0.000 0.455 1681 T N -3.676 110.946 114.554 0.113 0.000 2.671 1681 T HA 0.231 4.581 4.350 -0.001 0.000 0.300 1681 T C 0.259 174.968 174.700 0.014 0.000 1.238 1681 T CA -0.780 61.309 62.100 -0.018 0.000 1.020 1681 T CB 1.055 69.926 68.868 0.004 0.000 1.503 1681 T HN 0.656 nan 8.240 nan 0.000 0.497 1682 H N 0.093 119.252 119.070 0.148 0.000 2.421 1682 H HA -0.020 4.535 4.556 -0.001 0.000 0.298 1682 H C 2.063 177.475 175.328 0.139 0.000 1.087 1682 H CA 1.941 58.105 56.048 0.192 0.000 1.330 1682 H CB -0.131 29.728 29.762 0.162 0.000 1.388 1682 H HN 0.566 nan 8.280 nan 0.000 0.526 1683 Q N 0.369 120.274 119.800 0.175 0.000 2.224 1683 Q HA -0.088 4.251 4.340 -0.001 0.000 0.203 1683 Q C 2.491 178.594 176.000 0.173 0.000 0.970 1683 Q CA 1.527 57.395 55.803 0.108 0.000 0.865 1683 Q CB 0.062 28.849 28.738 0.082 0.000 0.922 1683 Q HN 0.486 nan 8.270 nan 0.000 0.445 1684 S N -0.218 115.590 115.700 0.180 0.000 2.436 1684 S HA -0.091 4.378 4.470 -0.001 0.000 0.228 1684 S C 1.245 176.051 174.600 0.342 0.000 1.014 1684 S CA 0.926 59.250 58.200 0.207 0.000 0.950 1684 S CB -0.042 63.215 63.200 0.094 0.000 0.784 1684 S HN 0.177 nan 8.310 nan 0.000 0.504 1685 D N 1.601 122.221 120.400 0.367 0.000 2.178 1685 D HA 0.025 4.664 4.640 -0.001 0.000 0.202 1685 D C 2.011 178.642 176.300 0.553 0.000 0.974 1685 D CA 0.586 54.881 54.000 0.492 0.000 0.841 1685 D CB -0.370 40.784 40.800 0.591 0.000 0.953 1685 D HN 0.281 nan 8.370 nan 0.000 0.478 1686 V N 0.809 120.881 119.914 0.264 0.000 2.343 1686 V HA -0.204 3.915 4.120 -0.001 0.000 0.247 1686 V C 2.178 178.455 176.094 0.306 0.000 1.051 1686 V CA 1.343 63.638 62.300 -0.009 0.000 1.036 1686 V CB -0.458 31.189 31.823 -0.294 0.000 0.654 1686 V HN 0.419 nan 8.190 nan 0.000 0.451 1687 W N 0.658 122.089 121.300 0.218 0.000 2.335 1687 W HA -0.253 4.406 4.660 -0.001 0.000 0.311 1687 W C 2.769 179.555 176.519 0.444 0.000 1.213 1687 W CA 2.319 59.875 57.345 0.351 0.000 1.274 1687 W CB -0.719 28.907 29.460 0.276 0.000 1.148 1687 W HN 0.357 nan 8.180 nan 0.000 0.498 1688 S N 0.033 116.181 115.700 0.745 0.000 2.399 1688 S HA -0.257 4.212 4.470 -0.001 0.000 0.231 1688 S C 1.853 176.776 174.600 0.538 0.000 1.022 1688 S CA 1.501 60.099 58.200 0.663 0.000 0.983 1688 S CB -0.958 62.578 63.200 0.560 0.000 0.803 1688 S HN 0.271 nan 8.310 nan 0.000 0.480 1689 F N 2.031 122.201 119.950 0.368 0.000 2.171 1689 F HA 0.087 4.613 4.527 -0.001 0.000 0.300 1689 F C 2.176 178.088 175.800 0.188 0.000 1.090 1689 F CA 1.376 59.553 58.000 0.295 0.000 1.293 1689 F CB -0.878 38.355 39.000 0.387 0.000 1.013 1689 F HN 0.273 nan 8.300 nan 0.000 0.486 1690 G N -0.176 108.733 108.800 0.181 0.000 2.418 1690 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.217 1690 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.217 1690 G C 1.709 176.695 174.900 0.143 0.000 1.158 1690 G CA 1.164 46.147 45.100 -0.194 0.000 0.771 1690 G HN 0.322 nan 8.290 nan 0.000 0.545 1691 V N 0.756 120.938 119.914 0.445 0.000 2.407 1691 V HA -0.121 3.998 4.120 -0.001 0.000 0.248 1691 V C 2.655 178.944 176.094 0.325 0.000 1.055 1691 V CA 1.520 64.038 62.300 0.364 0.000 1.049 1691 V CB -0.436 31.447 31.823 0.099 0.000 0.662 1691 V HN 0.352 nan 8.190 nan 0.000 0.455 1692 L N -0.468 120.903 121.223 0.246 0.000 2.046 1692 L HA -0.143 4.196 4.340 -0.001 0.000 0.208 1692 L C 2.275 179.150 176.870 0.009 0.000 1.077 1692 L CA 1.951 56.870 54.840 0.131 0.000 0.747 1692 L CB -0.515 41.511 42.059 -0.055 0.000 0.896 1692 L HN 0.219 nan 8.230 nan 0.000 0.432 1693 M N -2.365 117.169 119.600 -0.109 0.000 2.108 1693 M HA -0.266 4.214 4.480 -0.001 0.000 0.261 1693 M C 2.171 178.624 176.300 0.256 0.000 1.066 1693 M CA 2.279 57.582 55.300 0.005 0.000 1.107 1693 M CB -0.661 31.923 32.600 -0.026 0.000 1.356 1693 M HN 0.499 nan 8.290 nan 0.000 0.406 1694 W N 1.634 122.999 121.300 0.109 0.000 2.358 1694 W HA -0.192 4.467 4.660 -0.001 0.000 0.303 1694 W C 2.064 178.650 176.519 0.112 0.000 1.208 1694 W CA 1.773 59.211 57.345 0.155 0.000 1.274 1694 W CB -0.086 29.476 29.460 0.169 0.000 1.138 1694 W HN 0.199 nan 8.180 nan 0.000 0.515 1695 E N -0.007 120.417 120.200 0.374 0.000 2.077 1695 E HA -0.256 4.094 4.350 -0.001 0.000 0.193 1695 E C 2.095 178.686 176.600 -0.015 0.000 0.989 1695 E CA 1.821 58.350 56.400 0.215 0.000 0.800 1695 E CB -0.495 29.388 29.700 0.306 0.000 0.746 1695 E HN 0.385 nan 8.360 nan 0.000 0.452 1696 I N 0.194 120.728 120.570 -0.060 0.000 2.179 1696 I HA -0.250 3.920 4.170 -0.001 0.000 0.242 1696 I C 1.894 177.779 176.117 -0.387 0.000 1.088 1696 I CA 1.176 62.330 61.300 -0.243 0.000 1.357 1696 I CB -0.215 37.562 38.000 -0.372 0.000 1.051 1696 I HN 0.032 nan 8.210 nan 0.000 0.409 1697 F N 0.761 120.621 119.950 -0.151 0.000 2.604 1697 F HA -0.101 4.426 4.527 0.000 0.000 0.298 1697 F C 2.418 178.053 175.800 -0.275 0.000 1.131 1697 F CA 1.202 59.096 58.000 -0.177 0.000 1.457 1697 F CB -0.641 38.272 39.000 -0.145 0.000 1.095 1697 F HN 0.145 nan 8.300 nan 0.000 0.574 1698 T N -3.051 111.325 114.554 -0.298 0.000 3.105 1698 T HA 0.174 4.523 4.350 -0.001 0.000 0.253 1698 T C 0.552 175.121 174.700 -0.218 0.000 1.047 1698 T CA -0.173 61.696 62.100 -0.384 0.000 0.944 1698 T CB -0.039 68.365 68.868 -0.772 0.000 1.016 1698 T HN -0.023 nan 8.240 nan 0.000 0.544 1699 L N 1.198 122.317 121.223 -0.174 0.000 3.601 1699 L HA -0.150 4.189 4.340 -0.001 0.000 0.469 1699 L C 1.140 177.964 176.870 -0.076 0.000 1.294 1699 L CA 1.055 55.820 54.840 -0.124 0.000 0.829 1699 L CB -2.701 39.293 42.059 -0.108 0.000 1.628 1699 L HN 0.900 nan 8.230 nan 0.000 0.868 1700 G N -1.041 107.732 108.800 -0.046 0.000 2.142 1700 G HA2 -0.049 3.910 3.960 -0.001 0.000 0.225 1700 G HA3 -0.049 3.910 3.960 -0.001 0.000 0.225 1700 G C 0.713 175.651 174.900 0.063 0.000 1.015 1700 G CA 0.395 45.510 45.100 0.026 0.000 0.716 1700 G HN 1.235 nan 8.290 nan 0.000 0.508 1701 G N -0.595 108.226 108.800 0.035 0.000 2.599 1701 G HA2 0.562 4.521 3.960 -0.001 0.000 0.264 1701 G HA3 0.562 4.521 3.960 -0.001 0.000 0.264 1701 G C 0.291 175.407 174.900 0.359 0.000 1.200 1701 G CA 0.663 45.834 45.100 0.119 0.000 0.896 1701 G HN 1.128 nan 8.290 nan 0.000 0.536 1702 S N 0.726 116.652 115.700 0.376 0.000 2.457 1702 S HA 0.531 5.000 4.470 -0.001 0.000 0.289 1702 S C -2.277 172.440 174.600 0.195 0.000 1.163 1702 S CA -1.353 57.032 58.200 0.308 0.000 1.078 1702 S CB 0.990 64.311 63.200 0.203 0.000 0.987 1702 S HN 0.281 nan 8.310 nan 0.000 0.482 1703 P HA 0.070 nan 4.420 nan 0.000 0.265 1703 P C -0.950 176.025 177.300 -0.542 0.000 1.187 1703 P CA 0.390 62.993 63.100 -0.827 0.000 0.766 1703 P CB -0.138 31.004 31.700 -0.930 0.000 0.820 1704 Y N 0.419 120.300 120.300 -0.699 0.000 3.001 1704 Y HA -0.173 4.376 4.550 -0.001 0.000 0.187 1704 Y C -1.488 174.301 175.900 -0.186 0.000 1.462 1704 Y CA -0.442 57.439 58.100 -0.365 0.000 0.936 1704 Y CB -2.380 35.894 38.460 -0.309 0.000 1.337 1704 Y HN 0.408 nan 8.280 nan 0.000 0.428 1705 P HA 0.086 nan 4.420 nan 0.000 0.262 1705 P C 1.224 178.560 177.300 0.059 0.000 1.182 1705 P CA 1.783 64.926 63.100 0.072 0.000 0.761 1705 P CB 1.158 32.946 31.700 0.146 0.000 0.795 1706 G N 2.981 111.813 108.800 0.053 0.000 2.184 1706 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.264 1706 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.264 1706 G C 0.171 175.082 174.900 0.018 0.000 0.975 1706 G CA -0.032 45.090 45.100 0.037 0.000 0.642 1706 G HN 0.558 nan 8.290 nan 0.000 0.536 1707 I N 2.381 122.959 120.570 0.013 0.000 2.291 1707 I HA 0.269 4.438 4.170 -0.001 0.000 0.290 1707 I C -1.993 174.114 176.117 -0.017 0.000 1.050 1707 I CA -2.172 59.116 61.300 -0.020 0.000 1.245 1707 I CB 1.361 39.328 38.000 -0.055 0.000 1.405 1707 I HN -0.143 nan 8.210 nan 0.000 0.478 1708 P HA -0.019 nan 4.420 nan 0.000 0.265 1708 P C 1.185 178.485 177.300 -0.000 0.000 1.193 1708 P CA -0.073 63.035 63.100 0.013 0.000 0.765 1708 P CB 0.764 32.477 31.700 0.022 0.000 0.823 1709 V N 2.684 122.608 119.914 0.017 0.000 2.317 1709 V HA -0.348 3.772 4.120 -0.001 0.000 0.251 1709 V C 2.731 178.855 176.094 0.050 0.000 1.065 1709 V CA 2.753 65.051 62.300 -0.004 0.000 1.049 1709 V CB -1.854 30.003 31.823 0.058 0.000 0.651 1709 V HN 0.723 nan 8.190 nan 0.000 0.450 1710 E N -0.241 120.044 120.200 0.143 0.000 2.265 1710 E HA -0.240 4.109 4.350 -0.001 0.000 0.196 1710 E C 2.022 178.768 176.600 0.243 0.000 0.996 1710 E CA 1.738 58.291 56.400 0.255 0.000 0.832 1710 E CB -0.838 28.943 29.700 0.136 0.000 0.756 1710 E HN 0.874 nan 8.360 nan 0.000 0.491 1711 E N -0.179 120.076 120.200 0.091 0.000 2.371 1711 E HA 0.325 4.674 4.350 -0.001 0.000 0.194 1711 E C 2.000 178.586 176.600 -0.022 0.000 1.012 1711 E CA 0.788 57.211 56.400 0.037 0.000 0.860 1711 E CB -0.558 29.131 29.700 -0.018 0.000 0.811 1711 E HN 0.446 nan 8.360 nan 0.000 0.502 1712 L N -0.273 120.873 121.223 -0.128 0.000 2.046 1712 L HA -0.025 4.314 4.340 -0.001 0.000 0.208 1712 L C 2.225 178.953 176.870 -0.237 0.000 1.077 1712 L CA 1.908 56.545 54.840 -0.339 0.000 0.747 1712 L CB -0.716 40.983 42.059 -0.600 0.000 0.896 1712 L HN 0.386 nan 8.230 nan 0.000 0.432 1713 F N 0.274 120.197 119.950 -0.046 0.000 2.087 1713 F HA -0.315 4.211 4.527 -0.001 0.000 0.299 1713 F C 2.643 178.492 175.800 0.083 0.000 1.100 1713 F CA 2.186 60.250 58.000 0.107 0.000 1.226 1713 F CB -0.847 38.233 39.000 0.133 0.000 0.983 1713 F HN 0.096 nan 8.300 nan 0.000 0.479 1714 K N 0.731 121.243 120.400 0.186 0.000 2.057 1714 K HA -0.151 4.168 4.320 -0.001 0.000 0.207 1714 K C 2.070 178.683 176.600 0.023 0.000 1.049 1714 K CA 1.199 57.523 56.287 0.061 0.000 0.931 1714 K CB -0.346 32.168 32.500 0.024 0.000 0.714 1714 K HN 0.259 nan 8.250 nan 0.000 0.440 1715 L N 0.997 122.207 121.223 -0.021 0.000 2.012 1715 L HA -0.232 4.107 4.340 -0.001 0.000 0.210 1715 L C 2.447 179.348 176.870 0.053 0.000 1.073 1715 L CA 1.170 55.985 54.840 -0.043 0.000 0.748 1715 L CB -0.438 41.503 42.059 -0.197 0.000 0.891 1715 L HN 0.248 nan 8.230 nan 0.000 0.431 1716 L N -0.573 120.679 121.223 0.048 0.000 2.046 1716 L HA -0.201 4.138 4.340 -0.001 0.000 0.208 1716 L C 2.704 179.675 176.870 0.168 0.000 1.077 1716 L CA 1.063 55.974 54.840 0.117 0.000 0.747 1716 L CB -0.509 41.604 42.059 0.090 0.000 0.896 1716 L HN 0.217 nan 8.230 nan 0.000 0.432 1717 K N 0.351 120.825 120.400 0.122 0.000 2.209 1717 K HA -0.163 4.156 4.320 -0.001 0.000 0.204 1717 K C 1.655 178.259 176.600 0.008 0.000 1.048 1717 K CA 1.167 57.443 56.287 -0.019 0.000 0.940 1717 K CB -0.106 32.292 32.500 -0.170 0.000 0.729 1717 K HN 0.449 nan 8.250 nan 0.000 0.451 1718 E N -0.712 119.510 120.200 0.036 0.000 2.489 1718 E HA 0.035 4.384 4.350 -0.001 0.000 0.193 1718 E C 0.581 177.223 176.600 0.070 0.000 1.057 1718 E CA 0.260 56.684 56.400 0.040 0.000 0.866 1718 E CB 0.265 29.987 29.700 0.036 0.000 0.916 1718 E HN 0.425 nan 8.360 nan 0.000 0.500 1719 G N 1.919 110.775 108.800 0.094 0.000 2.136 1719 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.242 1719 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.242 1719 G C 0.002 174.967 174.900 0.109 0.000 0.989 1719 G CA 0.410 45.570 45.100 0.100 0.000 0.682 1719 G HN 0.495 nan 8.290 nan 0.000 0.522 1720 H N 1.132 120.226 119.070 0.039 0.000 2.897 1720 H HA 0.605 5.160 4.556 -0.001 0.000 0.347 1720 H C 0.679 176.032 175.328 0.042 0.000 1.068 1720 H CA 0.520 56.587 56.048 0.032 0.000 1.426 1720 H CB 0.465 30.229 29.762 0.004 0.000 1.410 1720 H HN 0.264 nan 8.280 nan 0.000 0.597 1721 R N 4.411 124.487 120.500 -0.706 0.000 2.651 1721 R HA 0.229 4.568 4.340 -0.001 0.000 0.278 1721 R C -0.442 175.478 176.300 -0.634 0.000 1.010 1721 R CA -0.931 54.855 56.100 -0.523 0.000 0.896 1721 R CB 1.611 31.805 30.300 -0.176 0.000 1.211 1721 R HN 0.742 nan 8.270 nan 0.000 0.456 1722 M N 1.629 120.870 119.600 -0.598 0.000 2.248 1722 M HA 0.061 4.540 4.480 -0.001 0.000 0.337 1722 M C 0.176 176.526 176.300 0.083 0.000 1.121 1722 M CA 0.472 55.536 55.300 -0.392 0.000 1.155 1722 M CB 0.348 32.436 32.600 -0.853 0.000 1.514 1722 M HN 0.271 nan 8.290 nan 0.000 0.452 1723 D N 1.964 122.440 120.400 0.126 0.000 2.360 1723 D HA 0.104 4.743 4.640 -0.001 0.000 0.242 1723 D C -0.153 176.197 176.300 0.083 0.000 1.184 1723 D CA -0.061 54.016 54.000 0.127 0.000 0.930 1723 D CB 0.609 41.450 40.800 0.068 0.000 1.161 1723 D HN 0.376 nan 8.370 nan 0.000 0.447 1724 K N 1.110 121.193 120.400 -0.529 0.000 2.368 1724 K HA 0.192 4.511 4.320 -0.001 0.000 0.282 1724 K C -2.371 174.056 176.600 -0.288 0.000 1.035 1724 K CA -1.112 54.676 56.287 -0.833 0.000 0.973 1724 K CB 0.354 32.024 32.500 -1.383 0.000 0.957 1724 K HN 0.044 nan 8.250 nan 0.000 0.474 1725 P HA 0.051 nan 4.420 nan 0.000 0.275 1725 P C -0.271 176.922 177.300 -0.177 0.000 1.228 1725 P CA -0.158 62.799 63.100 -0.238 0.000 0.786 1725 P CB 1.212 32.707 31.700 -0.342 0.000 0.927 1726 A N 3.078 125.816 122.820 -0.136 0.000 1.883 1726 A HA -0.244 4.075 4.320 -0.001 0.000 0.217 1726 A C 1.545 179.083 177.584 -0.077 0.000 1.186 1726 A CA 1.961 53.936 52.037 -0.104 0.000 0.624 1726 A CB -1.509 17.443 19.000 -0.080 0.000 0.822 1726 A HN 0.703 nan 8.150 nan 0.000 0.444 1727 N N -1.619 117.069 118.700 -0.021 0.000 2.571 1727 N HA 0.032 4.771 4.740 -0.001 0.000 0.189 1727 N C 0.124 175.718 175.510 0.140 0.000 1.154 1727 N CA 0.049 53.151 53.050 0.086 0.000 0.907 1727 N CB -0.189 38.404 38.487 0.176 0.000 0.977 1727 N HN 0.445 nan 8.380 nan 0.000 0.449 1728 C N 2.084 121.351 119.300 -0.055 0.000 2.330 1728 C HA 0.284 4.743 4.460 -0.001 0.000 0.344 1728 C C 1.178 176.049 174.990 -0.198 0.000 1.273 1728 C CA -0.745 58.108 59.018 -0.276 0.000 1.879 1728 C CB -0.488 27.023 27.740 -0.383 0.000 2.376 1728 C HN 0.393 nan 8.230 nan 0.000 0.534 1729 T N 3.660 118.113 114.554 -0.168 0.000 2.766 1729 T HA 0.126 4.475 4.350 -0.001 0.000 0.295 1729 T C 1.197 175.846 174.700 -0.086 0.000 1.024 1729 T CA -0.262 61.749 62.100 -0.148 0.000 1.018 1729 T CB 0.508 69.309 68.868 -0.112 0.000 1.002 1729 T HN 0.758 nan 8.240 nan 0.000 0.532 1730 N N 0.425 119.092 118.700 -0.055 0.000 2.188 1730 N HA -0.118 4.621 4.740 -0.001 0.000 0.184 1730 N C 1.781 177.307 175.510 0.026 0.000 1.018 1730 N CA 1.314 54.371 53.050 0.012 0.000 0.858 1730 N CB -0.404 38.084 38.487 0.001 0.000 0.989 1730 N HN 0.883 nan 8.380 nan 0.000 0.426 1731 E N 0.976 121.171 120.200 -0.007 0.000 2.077 1731 E HA -0.105 4.245 4.350 -0.001 0.000 0.193 1731 E C 1.914 178.498 176.600 -0.026 0.000 0.989 1731 E CA 0.717 57.112 56.400 -0.009 0.000 0.800 1731 E CB -0.025 29.677 29.700 0.004 0.000 0.746 1731 E HN 0.270 nan 8.360 nan 0.000 0.452 1732 L N 0.027 121.223 121.223 -0.044 0.000 2.217 1732 L HA -0.133 4.206 4.340 -0.001 0.000 0.211 1732 L C 2.420 179.226 176.870 -0.106 0.000 1.107 1732 L CA 0.681 55.457 54.840 -0.106 0.000 0.783 1732 L CB -0.359 41.544 42.059 -0.261 0.000 0.919 1732 L HN 0.280 nan 8.230 nan 0.000 0.442 1733 Y N 0.134 120.317 120.300 -0.195 0.000 2.242 1733 Y HA -0.207 4.342 4.550 -0.001 0.000 0.291 1733 Y C 2.525 178.329 175.900 -0.159 0.000 1.137 1733 Y CA 1.275 59.272 58.100 -0.171 0.000 1.181 1733 Y CB -0.007 38.385 38.460 -0.113 0.000 0.989 1733 Y HN 0.049 nan 8.280 nan 0.000 0.527 1734 M N -0.438 119.039 119.600 -0.205 0.000 2.229 1734 M HA -0.227 4.253 4.480 -0.001 0.000 0.264 1734 M C 2.362 178.505 176.300 -0.262 0.000 1.063 1734 M CA 1.598 56.739 55.300 -0.265 0.000 1.114 1734 M CB -1.114 31.414 32.600 -0.121 0.000 1.387 1734 M HN 0.506 nan 8.290 nan 0.000 0.420 1735 M N -0.566 118.915 119.600 -0.197 0.000 2.117 1735 M HA -0.238 4.241 4.480 -0.001 0.000 0.262 1735 M C 2.297 178.414 176.300 -0.306 0.000 1.065 1735 M CA 1.545 56.742 55.300 -0.173 0.000 1.114 1735 M CB -0.126 32.426 32.600 -0.080 0.000 1.361 1735 M HN 0.206 nan 8.290 nan 0.000 0.408 1736 M N -0.055 119.292 119.600 -0.423 0.000 2.065 1736 M HA -0.234 4.245 4.480 -0.001 0.000 0.259 1736 M C 2.035 177.650 176.300 -1.141 0.000 1.069 1736 M CA 1.709 56.540 55.300 -0.781 0.000 1.110 1736 M CB -0.240 31.970 32.600 -0.650 0.000 1.328 1736 M HN 0.192 nan 8.290 nan 0.000 0.405 1737 R N 0.422 120.428 120.500 -0.823 0.000 2.120 1737 R HA -0.115 4.225 4.340 -0.001 0.000 0.234 1737 R C 1.552 177.659 176.300 -0.321 0.000 1.123 1737 R CA 1.260 57.044 56.100 -0.527 0.000 0.975 1737 R CB -1.169 28.846 30.300 -0.474 0.000 0.866 1737 R HN 0.499 nan 8.270 nan 0.000 0.446 1738 D N 0.214 120.440 120.400 -0.291 0.000 2.144 1738 D HA -0.109 4.531 4.640 -0.001 0.000 0.199 1738 D C 1.828 178.052 176.300 -0.127 0.000 0.984 1738 D CA 0.868 54.792 54.000 -0.125 0.000 0.834 1738 D CB -0.301 40.430 40.800 -0.115 0.000 0.955 1738 D HN 0.147 nan 8.370 nan 0.000 0.465 1739 C N 0.229 119.340 119.300 -0.315 0.000 2.419 1739 C HA -0.117 4.343 4.460 -0.001 0.000 0.283 1739 C C 1.575 176.456 174.990 -0.181 0.000 1.373 1739 C CA -0.020 58.827 59.018 -0.284 0.000 1.781 1739 C CB -0.910 26.573 27.740 -0.428 0.000 1.886 1739 C HN 0.444 nan 8.230 nan 0.000 0.520 1740 W N 0.006 121.117 121.300 -0.315 0.000 3.194 1740 W HA 0.289 4.948 4.660 -0.001 0.000 0.408 1740 W C 0.968 177.464 176.519 -0.039 0.000 1.072 1740 W CA -0.804 56.200 57.345 -0.569 0.000 1.953 1740 W CB -1.580 27.308 29.460 -0.955 0.000 1.091 1740 W HN 0.422 nan 8.180 nan 0.000 0.699 1741 H N 0.823 119.993 119.070 0.167 0.000 3.001 1741 H HA 0.123 4.679 4.556 -0.001 0.000 0.334 1741 H C 1.332 176.822 175.328 0.270 0.000 1.034 1741 H CA 1.212 57.358 56.048 0.162 0.000 1.420 1741 H CB 1.405 31.216 29.762 0.082 0.000 1.405 1741 H HN 0.116 nan 8.280 nan 0.000 0.593 1742 A N 5.208 128.156 122.820 0.212 0.000 2.019 1742 A HA -0.041 4.278 4.320 -0.001 0.000 0.219 1742 A C 0.960 178.734 177.584 0.317 0.000 1.164 1742 A CA 0.802 52.997 52.037 0.263 0.000 0.644 1742 A CB 0.024 19.094 19.000 0.117 0.000 0.805 1742 A HN 0.347 nan 8.150 nan 0.000 0.449 1743 V N 0.815 121.048 119.914 0.532 0.000 2.348 1743 V HA 0.163 4.282 4.120 -0.001 0.000 0.270 1743 V C -1.571 174.619 176.094 0.161 0.000 1.037 1743 V CA -1.137 61.323 62.300 0.266 0.000 0.872 1743 V CB 1.118 33.044 31.823 0.171 0.000 1.002 1743 V HN 0.188 nan 8.190 nan 0.000 0.464 1744 P HA -0.215 nan 4.420 nan 0.000 0.215 1744 P C 1.857 179.177 177.300 0.034 0.000 1.163 1744 P CA 2.012 65.169 63.100 0.094 0.000 0.894 1744 P CB 0.108 31.846 31.700 0.065 0.000 0.791 1745 S N -1.483 114.219 115.700 0.003 0.000 2.474 1745 S HA -0.171 4.298 4.470 -0.001 0.000 0.235 1745 S C 2.019 176.566 174.600 -0.087 0.000 0.997 1745 S CA 0.982 59.166 58.200 -0.028 0.000 0.949 1745 S CB -0.872 62.317 63.200 -0.019 0.000 0.766 1745 S HN 0.073 nan 8.310 nan 0.000 0.517 1746 Q N 1.359 121.057 119.800 -0.168 0.000 2.424 1746 Q HA 0.248 4.588 4.340 -0.001 0.000 0.204 1746 Q C 0.543 176.386 176.000 -0.261 0.000 0.933 1746 Q CA 0.150 55.754 55.803 -0.332 0.000 0.929 1746 Q CB 0.015 28.267 28.738 -0.810 0.000 1.037 1746 Q HN 0.558 nan 8.270 nan 0.000 0.511 1747 R N 1.932 122.360 120.500 -0.120 0.000 2.643 1747 R HA 0.185 4.524 4.340 -0.001 0.000 0.270 1747 R C -2.083 174.157 176.300 -0.100 0.000 1.061 1747 R CA -1.401 54.669 56.100 -0.051 0.000 1.107 1747 R CB -0.138 30.177 30.300 0.026 0.000 0.999 1747 R HN 0.213 nan 8.270 nan 0.000 0.460 1748 P HA -0.006 nan 4.420 nan 0.000 0.272 1748 P C -0.461 176.714 177.300 -0.208 0.000 1.240 1748 P CA -0.255 62.762 63.100 -0.138 0.000 0.791 1748 P CB 0.640 32.264 31.700 -0.127 0.000 0.978 1749 T N -2.276 112.168 114.554 -0.182 0.000 2.902 1749 T HA 0.293 4.643 4.350 -0.001 0.000 0.280 1749 T C 1.081 175.624 174.700 -0.261 0.000 0.992 1749 T CA -0.395 61.572 62.100 -0.222 0.000 1.015 1749 T CB 0.123 68.930 68.868 -0.102 0.000 1.044 1749 T HN 0.081 nan 8.240 nan 0.000 0.520 1750 F N 0.468 120.339 119.950 -0.132 0.000 2.216 1750 F HA 0.074 4.600 4.527 -0.000 0.000 0.300 1750 F C 2.550 178.257 175.800 -0.154 0.000 1.085 1750 F CA 1.219 59.095 58.000 -0.206 0.000 1.326 1750 F CB -0.495 38.378 39.000 -0.211 0.000 1.027 1750 F HN 0.677 nan 8.300 nan 0.000 0.497 1751 K N 0.375 120.806 120.400 0.051 0.000 2.032 1751 K HA -0.242 4.077 4.320 -0.001 0.000 0.209 1751 K C 1.997 178.603 176.600 0.010 0.000 1.048 1751 K CA 1.831 58.132 56.287 0.023 0.000 0.927 1751 K CB -0.202 32.301 32.500 0.006 0.000 0.712 1751 K HN 0.323 nan 8.250 nan 0.000 0.441 1752 Q N 0.373 120.161 119.800 -0.020 0.000 2.119 1752 Q HA -0.109 4.230 4.340 -0.001 0.000 0.201 1752 Q C 2.281 178.274 176.000 -0.011 0.000 0.972 1752 Q CA 1.314 57.105 55.803 -0.020 0.000 0.847 1752 Q CB -0.049 28.662 28.738 -0.045 0.000 0.903 1752 Q HN 0.339 nan 8.270 nan 0.000 0.433 1753 L N -0.117 121.080 121.223 -0.042 0.000 2.046 1753 L HA -0.194 4.146 4.340 -0.001 0.000 0.208 1753 L C 2.345 179.246 176.870 0.052 0.000 1.077 1753 L CA 0.784 55.608 54.840 -0.027 0.000 0.747 1753 L CB -0.457 41.515 42.059 -0.146 0.000 0.896 1753 L HN 0.103 nan 8.230 nan 0.000 0.432 1754 V N -0.097 119.847 119.914 0.051 0.000 2.295 1754 V HA -0.291 3.828 4.120 -0.001 0.000 0.246 1754 V C 2.380 178.594 176.094 0.201 0.000 1.049 1754 V CA 1.908 64.281 62.300 0.122 0.000 1.024 1754 V CB -0.473 31.384 31.823 0.058 0.000 0.648 1754 V HN 0.474 nan 8.190 nan 0.000 0.447 1755 E N -0.270 120.001 120.200 0.117 0.000 2.077 1755 E HA -0.224 4.126 4.350 -0.001 0.000 0.193 1755 E C 1.959 178.608 176.600 0.082 0.000 0.989 1755 E CA 1.443 57.901 56.400 0.096 0.000 0.800 1755 E CB -0.180 29.553 29.700 0.055 0.000 0.746 1755 E HN 0.613 nan 8.360 nan 0.000 0.452 1756 D N 0.671 121.114 120.400 0.073 0.000 2.123 1756 D HA -0.082 4.557 4.640 -0.001 0.000 0.200 1756 D C 2.101 178.451 176.300 0.082 0.000 0.976 1756 D CA 0.701 54.737 54.000 0.059 0.000 0.831 1756 D CB -0.112 40.713 40.800 0.042 0.000 0.974 1756 D HN 0.140 nan 8.370 nan 0.000 0.469 1757 L N 0.654 121.963 121.223 0.143 0.000 2.141 1757 L HA -0.165 4.174 4.340 -0.001 0.000 0.209 1757 L C 2.102 179.015 176.870 0.073 0.000 1.094 1757 L CA 0.938 55.890 54.840 0.187 0.000 0.763 1757 L CB -0.222 42.047 42.059 0.350 0.000 0.908 1757 L HN -0.042 nan 8.230 nan 0.000 0.437 1758 D N 0.182 120.614 120.400 0.053 0.000 2.117 1758 D HA -0.218 4.421 4.640 -0.001 0.000 0.198 1758 D C 2.317 178.533 176.300 -0.140 0.000 0.982 1758 D CA 1.121 54.983 54.000 -0.230 0.000 0.828 1758 D CB 0.076 40.860 40.800 -0.026 0.000 0.967 1758 D HN 0.032 nan 8.370 nan 0.000 0.464 1759 R N 0.044 120.523 120.500 -0.034 0.000 2.083 1759 R HA -0.096 4.243 4.340 -0.001 0.000 0.237 1759 R C 2.457 178.750 176.300 -0.012 0.000 1.137 1759 R CA 1.419 57.508 56.100 -0.017 0.000 0.951 1759 R CB -0.369 29.936 30.300 0.010 0.000 0.851 1759 R HN 0.291 nan 8.270 nan 0.000 0.434 1760 I N 0.848 121.422 120.570 0.007 0.000 2.286 1760 I HA -0.272 3.897 4.170 -0.001 0.000 0.248 1760 I C 2.325 178.449 176.117 0.013 0.000 1.115 1760 I CA 0.607 61.930 61.300 0.037 0.000 1.392 1760 I CB -0.247 37.794 38.000 0.069 0.000 1.065 1760 I HN 0.260 nan 8.210 nan 0.000 0.418 1761 L N 0.387 121.571 121.223 -0.065 0.000 2.056 1761 L HA -0.146 4.194 4.340 -0.001 0.000 0.207 1761 L C 2.439 179.256 176.870 -0.088 0.000 1.078 1761 L CA 2.095 56.867 54.840 -0.113 0.000 0.749 1761 L CB -0.967 40.931 42.059 -0.268 0.000 0.901 1761 L HN 0.107 nan 8.230 nan 0.000 0.433 1762 T N 0.117 114.610 114.554 -0.102 0.000 2.708 1762 T HA -0.173 4.177 4.350 -0.001 0.000 0.266 1762 T C 1.963 176.654 174.700 -0.014 0.000 1.037 1762 T CA 1.640 63.702 62.100 -0.064 0.000 1.146 1762 T CB -0.340 68.489 68.868 -0.064 0.000 0.865 1762 T HN 0.279 nan 8.240 nan 0.000 0.435 1763 L N 0.798 122.024 121.223 0.005 0.000 2.017 1763 L HA -0.149 4.191 4.340 -0.001 0.000 0.208 1763 L C 2.619 179.527 176.870 0.064 0.000 1.073 1763 L CA 1.668 56.528 54.840 0.035 0.000 0.745 1763 L CB -0.916 41.170 42.059 0.045 0.000 0.894 1763 L HN 0.353 nan 8.230 nan 0.000 0.432 1764 T N -1.228 113.380 114.554 0.091 0.000 2.746 1764 T HA -0.168 4.182 4.350 -0.001 0.000 0.267 1764 T C 1.728 176.488 174.700 0.101 0.000 1.039 1764 T CA 1.869 64.057 62.100 0.147 0.000 1.142 1764 T CB -0.365 68.630 68.868 0.211 0.000 0.866 1764 T HN 0.385 nan 8.240 nan 0.000 0.444 1765 T N 2.213 116.797 114.554 0.049 0.000 2.788 1765 T HA -0.055 4.295 4.350 -0.001 0.000 0.268 1765 T C 1.673 176.393 174.700 0.033 0.000 1.044 1765 T CA 1.052 63.171 62.100 0.031 0.000 1.139 1765 T CB -0.351 68.515 68.868 -0.002 0.000 0.867 1765 T HN 0.538 nan 8.240 nan 0.000 0.454 1766 N N 0.141 118.859 118.700 0.029 0.000 2.336 1766 N HA 0.101 4.840 4.740 -0.001 0.000 0.189 1766 N C 1.216 176.745 175.510 0.031 0.000 1.113 1766 N CA 0.301 53.365 53.050 0.023 0.000 0.858 1766 N CB 0.412 38.906 38.487 0.012 0.000 0.970 1766 N HN 0.401 nan 8.380 nan 0.000 0.471 1767 E N 0.444 120.677 120.200 0.056 0.000 2.665 1767 E HA -0.009 4.341 4.350 -0.001 0.000 0.225 1767 E C -0.653 176.018 176.600 0.118 0.000 0.922 1767 E CA -0.093 56.347 56.400 0.067 0.000 1.242 1767 E CB 0.697 30.441 29.700 0.073 0.000 1.197 1767 E HN 0.416 nan 8.360 nan 0.000 0.581 1768 E N 0.524 120.807 120.200 0.139 0.000 2.437 1768 E HA -0.055 4.294 4.350 -0.001 0.000 0.263 1768 E C -0.749 175.990 176.600 0.233 0.000 1.030 1768 E CA 0.136 56.657 56.400 0.202 0.000 0.934 1768 E CB 0.334 30.135 29.700 0.168 0.000 0.943 1768 E HN -0.036 nan 8.360 nan 0.000 0.444 1769 Y N 1.477 121.787 120.300 0.016 0.000 2.336 1769 Y HA 0.249 4.798 4.550 -0.001 0.000 0.331 1769 Y C -0.025 175.883 175.900 0.012 0.000 1.211 1769 Y CA -0.415 57.689 58.100 0.007 0.000 1.346 1769 Y CB 0.573 39.030 38.460 -0.005 0.000 1.271 1769 Y HN 0.409 nan 8.280 nan 0.000 0.538 1770 L N 2.411 123.711 121.223 0.129 0.000 2.354 1770 L HA 0.307 4.647 4.340 -0.001 0.000 0.269 1770 L C -0.698 176.210 176.870 0.065 0.000 1.005 1770 L CA -0.958 53.930 54.840 0.081 0.000 0.819 1770 L CB 1.815 43.899 42.059 0.042 0.000 1.311 1770 L HN 0.541 nan 8.230 nan 0.000 0.423 1771 D N 1.757 122.189 120.400 0.053 0.000 2.295 1771 D HA 0.450 5.089 4.640 -0.001 0.000 0.248 1771 D C -0.482 175.832 176.300 0.024 0.000 1.154 1771 D CA -0.058 53.965 54.000 0.039 0.000 0.857 1771 D CB 0.610 41.429 40.800 0.032 0.000 1.117 1771 D HN 0.316 nan 8.370 nan 0.000 0.468 1772 L N 0.000 121.234 121.223 0.018 0.000 2.949 1772 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 1772 L CA 0.000 54.846 54.840 0.010 0.000 0.813 1772 L CB 0.000 42.062 42.059 0.004 0.000 0.961 1772 L HN 0.000 nan 8.230 nan 0.000 0.502