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 3mkv_1_C DATA FIRST_RESID 2 DATA SEQUENCE TTFLFRNGAL LDPDHPDLLQ GFEILIEDGF IREVSDKPIK SSNAHVIDVK DATA SEQUENCE GKTIMPGLID LHVHVVAIEF NLPRVATLPN VLVTLRAVPI MRAMLRRGFT DATA SEQUENCE TVRDAGGAGY PFKQAVESGL VEGPRLFVSG RALSQTGGHA DPRARSDYMP DATA SEQUENCE PDSPCGCCVR VGALGRVADG VDEVRRAVRE ELQMGADQIX IMASGGVASP DATA SEQUENCE TDPVGVFGYS EDEIRAIVAE AQGRGTYVLA HAYTPAAIAR AVRCGVRTIE DATA SEQUENCE HGNLIDDETA RLVAEHGAYV VPTLVTYDAL ASEGEKYGLP PESIAKIADV DATA SEQUENCE HGAGLHSIEI MKRAGVKMGF GTDLLGEAQR LQSDEFRILA EVLSPAEVIA DATA SEQUENCE SATIVSAEVL GMQDKLGRIV PGAHADVLVV DGNPLKSVDC LLGQGEHIPL DATA SEQUENCE VMKDGRLFVN ELE 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.693 174.700 -0.012 0.000 1.109 2 T CA 0.000 62.091 62.100 -0.015 0.000 1.349 2 T CB 0.000 68.814 68.868 -0.090 0.000 0.612 3 T N 0.970 115.412 114.554 -0.187 0.000 2.906 3 T HA 0.856 5.205 4.350 -0.001 0.000 0.295 3 T C -1.693 172.766 174.700 -0.402 0.000 1.075 3 T CA -0.324 61.700 62.100 -0.127 0.000 1.005 3 T CB 1.039 69.862 68.868 -0.076 0.000 1.136 3 T HN 0.378 nan 8.240 nan 0.000 0.498 4 F N 0.987 120.955 119.950 0.029 0.000 2.654 4 F HA 0.678 5.204 4.527 -0.001 0.000 0.308 4 F C -1.044 174.690 175.800 -0.110 0.000 1.108 4 F CA -1.016 56.952 58.000 -0.053 0.000 0.957 4 F CB 1.865 40.827 39.000 -0.063 0.000 1.309 4 F HN 0.341 nan 8.300 nan 0.000 0.446 5 L N 3.196 124.377 121.223 -0.070 0.000 2.439 5 L HA 0.617 4.957 4.340 -0.001 0.000 0.270 5 L C -1.867 174.851 176.870 -0.253 0.000 0.972 5 L CA -0.375 54.414 54.840 -0.085 0.000 0.836 5 L CB 1.075 43.113 42.059 -0.036 0.000 1.255 5 L HN 0.503 nan 8.230 nan 0.000 0.404 6 F N 4.400 124.396 119.950 0.076 0.000 2.421 6 F HA 0.712 5.239 4.527 -0.001 0.000 0.337 6 F C 0.393 176.218 175.800 0.042 0.000 1.105 6 F CA -0.392 57.637 58.000 0.049 0.000 1.049 6 F CB 1.520 40.546 39.000 0.043 0.000 1.139 6 F HN 0.458 nan 8.300 nan 0.000 0.479 7 R N 0.347 120.961 120.500 0.190 0.000 2.733 7 R HA 0.523 4.863 4.340 -0.001 0.000 0.272 7 R C -0.819 175.537 176.300 0.093 0.000 1.029 7 R CA -1.265 54.906 56.100 0.118 0.000 0.888 7 R CB 0.633 30.970 30.300 0.061 0.000 1.251 7 R HN 0.431 nan 8.270 nan 0.000 0.464 8 N N -1.487 117.254 118.700 0.068 0.000 2.754 8 N HA -0.130 4.609 4.740 -0.001 0.000 0.248 8 N C -1.269 174.275 175.510 0.056 0.000 1.093 8 N CA 1.498 54.578 53.050 0.050 0.000 0.699 8 N CB -0.818 37.690 38.487 0.035 0.000 1.016 8 N HN 0.957 nan 8.380 nan 0.000 0.552 9 G N -1.839 107.003 108.800 0.069 0.000 2.690 9 G HA2 0.773 4.732 3.960 -0.001 0.000 0.293 9 G HA3 0.773 4.732 3.960 -0.001 0.000 0.293 9 G C -0.988 173.941 174.900 0.047 0.000 1.399 9 G CA -0.107 45.026 45.100 0.054 0.000 0.890 9 G HN 0.520 nan 8.290 nan 0.000 0.485 10 A N 0.423 123.256 122.820 0.021 0.000 2.409 10 A HA 0.557 4.876 4.320 -0.001 0.000 0.267 10 A C -0.177 177.394 177.584 -0.022 0.000 1.127 10 A CA -0.294 51.749 52.037 0.010 0.000 0.795 10 A CB 0.724 19.721 19.000 -0.004 0.000 1.061 10 A HN 1.252 nan 8.150 nan 0.000 0.502 11 L N 3.917 125.119 121.223 -0.034 0.000 2.261 11 L HA 0.419 4.759 4.340 -0.001 0.000 0.289 11 L C -0.301 176.491 176.870 -0.130 0.000 1.059 11 L CA -0.175 54.601 54.840 -0.107 0.000 0.816 11 L CB 0.758 42.707 42.059 -0.183 0.000 1.191 11 L HN 0.661 nan 8.230 nan 0.000 0.431 12 L N 5.586 126.738 121.223 -0.118 0.000 2.295 12 L HA 0.323 4.663 4.340 -0.001 0.000 0.288 12 L C -0.629 176.179 176.870 -0.102 0.000 1.079 12 L CA -0.186 54.593 54.840 -0.100 0.000 0.830 12 L CB 0.291 42.292 42.059 -0.097 0.000 1.200 12 L HN 0.665 nan 8.230 nan 0.000 0.438 13 D N 7.050 127.400 120.400 -0.082 0.000 2.373 13 D HA 0.267 4.906 4.640 -0.001 0.000 0.227 13 D C -1.905 174.403 176.300 0.013 0.000 1.091 13 D CA -2.247 51.731 54.000 -0.037 0.000 0.840 13 D CB 2.116 42.904 40.800 -0.021 0.000 1.060 13 D HN 0.275 nan 8.370 nan 0.000 0.502 14 P HA -0.100 nan 4.420 nan 0.000 0.218 14 P C 0.048 177.333 177.300 -0.024 0.000 1.146 14 P CA 0.991 64.079 63.100 -0.019 0.000 0.813 14 P CB 0.150 31.836 31.700 -0.024 0.000 0.778 15 D N -2.908 117.468 120.400 -0.040 0.000 2.587 15 D HA 0.056 4.696 4.640 -0.001 0.000 0.233 15 D C -0.387 175.705 176.300 -0.345 0.000 1.213 15 D CA -0.347 53.566 54.000 -0.146 0.000 0.827 15 D CB -1.066 39.639 40.800 -0.159 0.000 1.006 15 D HN 0.218 nan 8.370 nan 0.000 0.490 16 H N -0.206 118.842 119.070 -0.038 0.000 2.840 16 H HA 0.275 4.831 4.556 -0.001 0.000 0.340 16 H C -1.804 173.505 175.328 -0.031 0.000 1.004 16 H CA -1.514 54.514 56.048 -0.034 0.000 1.288 16 H CB 2.317 32.050 29.762 -0.048 0.000 1.607 16 H HN -0.187 nan 8.280 nan 0.000 0.522 17 P HA -0.050 nan 4.420 nan 0.000 0.234 17 P C -0.355 176.965 177.300 0.033 0.000 1.167 17 P CA 0.922 64.042 63.100 0.034 0.000 0.763 17 P CB 0.754 32.468 31.700 0.024 0.000 0.835 18 D N -0.793 119.637 120.400 0.049 0.000 2.732 18 D HA 0.313 4.953 4.640 -0.001 0.000 0.229 18 D C 0.028 176.333 176.300 0.008 0.000 1.152 18 D CA -0.764 53.250 54.000 0.023 0.000 0.854 18 D CB 1.939 42.752 40.800 0.023 0.000 1.590 18 D HN -0.145 nan 8.370 nan 0.000 0.468 19 L N 1.431 122.648 121.223 -0.010 0.000 2.559 19 L HA 0.029 4.369 4.340 -0.001 0.000 0.282 19 L C 0.393 177.245 176.870 -0.029 0.000 1.232 19 L CA 0.150 54.973 54.840 -0.029 0.000 0.885 19 L CB 0.072 42.118 42.059 -0.023 0.000 1.131 19 L HN 0.174 nan 8.230 nan 0.000 0.498 20 L N 3.829 125.006 121.223 -0.077 0.000 2.319 20 L HA 0.228 4.567 4.340 -0.001 0.000 0.280 20 L C 0.057 176.998 176.870 0.118 0.000 1.099 20 L CA -0.161 54.649 54.840 -0.050 0.000 0.828 20 L CB 0.863 42.694 42.059 -0.380 0.000 1.150 20 L HN 0.576 nan 8.230 nan 0.000 0.442 21 Q N 1.673 121.595 119.800 0.204 0.000 2.274 21 Q HA 0.535 4.875 4.340 -0.001 0.000 0.260 21 Q C 0.295 176.402 176.000 0.178 0.000 0.974 21 Q CA 0.171 56.070 55.803 0.160 0.000 0.876 21 Q CB 1.993 30.777 28.738 0.077 0.000 1.297 21 Q HN 0.712 nan 8.270 nan 0.000 0.446 22 G N 2.554 111.423 108.800 0.114 0.000 2.324 22 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.292 22 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.292 22 G C -0.753 174.104 174.900 -0.072 0.000 1.079 22 G CA 0.095 45.203 45.100 0.013 0.000 1.026 22 G HN 0.362 nan 8.290 nan 0.000 0.506 23 F N -0.390 119.560 119.950 -0.000 0.000 2.598 23 F HA 0.718 5.245 4.527 -0.001 0.000 0.327 23 F C 0.583 176.400 175.800 0.028 0.000 1.057 23 F CA -0.739 57.264 58.000 0.005 0.000 0.957 23 F CB 1.800 40.795 39.000 -0.007 0.000 1.278 23 F HN 0.140 nan 8.300 nan 0.000 0.484 24 E N 2.250 122.596 120.200 0.243 0.000 2.292 24 E HA 0.495 4.844 4.350 -0.001 0.000 0.272 24 E C -1.460 175.265 176.600 0.208 0.000 0.881 24 E CA -0.587 55.924 56.400 0.186 0.000 0.754 24 E CB 3.016 32.779 29.700 0.107 0.000 1.201 24 E HN 0.372 nan 8.360 nan 0.000 0.425 25 I N 2.917 123.628 120.570 0.236 0.000 2.406 25 I HA 0.332 4.502 4.170 -0.001 0.000 0.290 25 I C -0.845 175.444 176.117 0.287 0.000 0.999 25 I CA -0.982 60.464 61.300 0.243 0.000 1.124 25 I CB 1.312 39.441 38.000 0.214 0.000 1.289 25 I HN 0.251 nan 8.210 nan 0.000 0.441 26 L N 7.913 129.266 121.223 0.216 0.000 2.305 26 L HA 0.587 4.926 4.340 -0.001 0.000 0.284 26 L C -0.986 176.014 176.870 0.218 0.000 1.013 26 L CA -0.241 54.717 54.840 0.197 0.000 0.819 26 L CB 0.948 43.086 42.059 0.131 0.000 1.227 26 L HN 0.343 nan 8.230 nan 0.000 0.417 27 I N 4.782 125.513 120.570 0.268 0.000 2.354 27 I HA 0.486 4.655 4.170 -0.001 0.000 0.292 27 I C -0.190 176.075 176.117 0.247 0.000 0.989 27 I CA -0.290 61.180 61.300 0.283 0.000 1.188 27 I CB 1.397 39.623 38.000 0.377 0.000 1.342 27 I HN 0.706 nan 8.210 nan 0.000 0.457 28 E N 5.906 126.236 120.200 0.216 0.000 2.278 28 E HA 0.248 4.598 4.350 -0.001 0.000 0.272 28 E C -1.189 175.538 176.600 0.212 0.000 0.890 28 E CA -0.361 56.147 56.400 0.181 0.000 0.770 28 E CB 1.232 31.010 29.700 0.129 0.000 1.212 28 E HN 0.545 nan 8.360 nan 0.000 0.415 29 D N 3.432 123.944 120.400 0.188 0.000 2.723 29 D HA -0.175 4.465 4.640 -0.001 0.000 0.236 29 D C 0.634 177.060 176.300 0.210 0.000 1.138 29 D CA 1.812 55.932 54.000 0.200 0.000 0.676 29 D CB -1.409 39.517 40.800 0.211 0.000 1.069 29 D HN 1.009 nan 8.370 nan 0.000 0.430 30 G N -1.014 107.849 108.800 0.104 0.000 2.198 30 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.260 30 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.260 30 G C 0.025 174.662 174.900 -0.438 0.000 1.025 30 G CA 0.451 45.483 45.100 -0.114 0.000 0.769 30 G HN 0.451 nan 8.290 nan 0.000 0.507 31 F N -0.750 119.236 119.950 0.060 0.000 2.601 31 F HA 0.574 5.100 4.527 -0.001 0.000 0.309 31 F C 0.355 176.188 175.800 0.054 0.000 1.089 31 F CA -1.529 56.480 58.000 0.014 0.000 0.940 31 F CB 1.189 40.167 39.000 -0.037 0.000 1.273 31 F HN -0.104 nan 8.300 nan 0.000 0.450 32 I N 2.703 123.416 120.570 0.238 0.000 2.533 32 I HA 0.139 4.309 4.170 -0.001 0.000 0.284 32 I C 0.971 177.185 176.117 0.162 0.000 1.109 32 I CA 0.155 61.559 61.300 0.174 0.000 1.412 32 I CB 0.844 38.917 38.000 0.122 0.000 1.396 32 I HN 0.692 nan 8.210 nan 0.000 0.543 33 R N 4.513 125.099 120.500 0.144 0.000 2.102 33 R HA 0.235 4.575 4.340 -0.001 0.000 0.208 33 R C 0.016 176.368 176.300 0.087 0.000 1.131 33 R CA 1.045 57.210 56.100 0.108 0.000 1.054 33 R CB 0.480 30.845 30.300 0.108 0.000 0.954 33 R HN 0.685 nan 8.270 nan 0.000 0.465 34 E N -0.643 119.617 120.200 0.100 0.000 2.340 34 E HA 0.449 4.798 4.350 -0.001 0.000 0.273 34 E C -1.573 175.097 176.600 0.118 0.000 0.891 34 E CA -0.918 55.538 56.400 0.094 0.000 0.757 34 E CB 3.093 32.842 29.700 0.081 0.000 1.231 34 E HN -0.162 nan 8.360 nan 0.000 0.439 35 V N 1.667 121.658 119.914 0.128 0.000 2.488 35 V HA 0.472 4.591 4.120 -0.001 0.000 0.293 35 V C -0.666 175.581 176.094 0.254 0.000 1.027 35 V CA -0.713 61.699 62.300 0.186 0.000 0.862 35 V CB 1.242 33.147 31.823 0.136 0.000 1.008 35 V HN 0.764 nan 8.190 nan 0.000 0.428 36 S N 0.914 116.766 115.700 0.254 0.000 2.564 36 S HA 0.525 4.995 4.470 -0.001 0.000 0.274 36 S C 0.167 174.630 174.600 -0.229 0.000 1.124 36 S CA -0.496 57.763 58.200 0.098 0.000 0.869 36 S CB 2.118 65.332 63.200 0.023 0.000 1.105 36 S HN 0.697 nan 8.310 nan 0.000 0.472 37 D N 0.509 120.525 120.400 -0.639 0.000 2.371 37 D HA 0.030 4.670 4.640 -0.001 0.000 0.221 37 D C 0.001 176.073 176.300 -0.380 0.000 0.986 37 D CA 0.625 54.084 54.000 -0.902 0.000 0.899 37 D CB -0.200 40.099 40.800 -0.835 0.000 0.902 37 D HN 0.520 nan 8.370 nan 0.000 0.530 38 K N 1.094 121.364 120.400 -0.217 0.000 2.213 38 K HA 0.364 4.684 4.320 -0.001 0.000 0.270 38 K C -2.550 174.009 176.600 -0.068 0.000 1.002 38 K CA -2.175 54.042 56.287 -0.117 0.000 0.868 38 K CB 1.627 34.080 32.500 -0.079 0.000 1.093 38 K HN -0.124 nan 8.250 nan 0.000 0.454 39 P HA -0.138 nan 4.420 nan 0.000 0.269 39 P C -0.433 176.863 177.300 -0.005 0.000 1.185 39 P CA 0.462 63.550 63.100 -0.020 0.000 0.769 39 P CB 0.430 32.117 31.700 -0.020 0.000 0.809 40 I N 1.698 122.275 120.570 0.011 0.000 2.707 40 I HA 0.201 4.371 4.170 -0.001 0.000 0.309 40 I C 0.641 176.765 176.117 0.012 0.000 1.001 40 I CA -1.010 60.302 61.300 0.019 0.000 1.129 40 I CB 1.564 39.589 38.000 0.041 0.000 1.308 40 I HN 0.260 nan 8.210 nan 0.000 0.466 41 K N 2.741 123.148 120.400 0.012 0.000 2.220 41 K HA 0.198 4.518 4.320 -0.001 0.000 0.283 41 K C -0.140 176.463 176.600 0.006 0.000 1.098 41 K CA -0.177 56.113 56.287 0.006 0.000 0.928 41 K CB 0.012 32.516 32.500 0.006 0.000 1.214 41 K HN 0.523 nan 8.250 nan 0.000 0.442 42 S N 0.568 116.268 115.700 -0.000 0.000 2.415 42 S HA 0.137 4.606 4.470 -0.001 0.000 0.313 42 S C 0.579 175.172 174.600 -0.013 0.000 1.067 42 S CA -0.791 57.405 58.200 -0.006 0.000 1.099 42 S CB 1.596 64.788 63.200 -0.014 0.000 0.991 42 S HN 0.455 nan 8.310 nan 0.000 0.491 43 S N 2.540 118.234 115.700 -0.012 0.000 2.452 43 S HA 0.165 4.635 4.470 -0.001 0.000 0.225 43 S C 1.000 175.587 174.600 -0.022 0.000 1.057 43 S CA 0.176 58.368 58.200 -0.014 0.000 0.949 43 S CB -0.282 62.912 63.200 -0.010 0.000 0.836 43 S HN 0.876 nan 8.310 nan 0.000 0.518 44 N N 0.731 119.415 118.700 -0.026 0.000 2.660 44 N HA 0.440 5.179 4.740 -0.001 0.000 0.316 44 N C -1.004 174.467 175.510 -0.064 0.000 1.774 44 N CA -0.175 52.850 53.050 -0.041 0.000 0.946 44 N CB 0.693 39.158 38.487 -0.036 0.000 1.322 44 N HN 0.300 nan 8.380 nan 0.000 0.492 45 A N 1.196 123.978 122.820 -0.063 0.000 2.330 45 A HA 0.274 4.593 4.320 -0.001 0.000 0.313 45 A C -0.813 176.711 177.584 -0.100 0.000 1.124 45 A CA -0.554 51.426 52.037 -0.094 0.000 0.774 45 A CB 0.681 19.652 19.000 -0.049 0.000 1.198 45 A HN 0.683 nan 8.150 nan 0.000 0.465 46 H N 1.742 120.634 119.070 -0.297 0.000 2.964 46 H HA 0.377 4.932 4.556 -0.001 0.000 0.328 46 H C -0.481 174.770 175.328 -0.129 0.000 1.030 46 H CA 0.719 56.624 56.048 -0.239 0.000 1.445 46 H CB 0.545 30.070 29.762 -0.395 0.000 1.449 46 H HN 0.332 nan 8.280 nan 0.000 0.581 47 V N 7.339 126.922 119.914 -0.552 0.000 2.472 47 V HA 0.268 4.388 4.120 -0.001 0.000 0.290 47 V C 0.062 175.861 176.094 -0.492 0.000 1.037 47 V CA -0.571 61.487 62.300 -0.403 0.000 0.908 47 V CB 1.227 32.915 31.823 -0.225 0.000 0.985 47 V HN 0.675 nan 8.190 nan 0.000 0.454 48 I N 3.606 123.969 120.570 -0.344 0.000 2.418 48 I HA 0.359 4.529 4.170 -0.001 0.000 0.287 48 I C -0.670 175.406 176.117 -0.068 0.000 1.008 48 I CA -0.380 60.785 61.300 -0.224 0.000 1.104 48 I CB 1.798 39.627 38.000 -0.284 0.000 1.264 48 I HN 0.501 nan 8.210 nan 0.000 0.438 49 D N 5.172 125.554 120.400 -0.030 0.000 2.411 49 D HA 0.255 4.894 4.640 -0.001 0.000 0.225 49 D C 0.864 177.194 176.300 0.050 0.000 1.156 49 D CA -0.240 53.768 54.000 0.014 0.000 0.874 49 D CB 1.390 42.189 40.800 -0.002 0.000 1.034 49 D HN 0.298 nan 8.370 nan 0.000 0.502 50 V N 4.239 124.205 119.914 0.087 0.000 2.759 50 V HA -0.140 3.980 4.120 -0.001 0.000 0.256 50 V C 1.068 177.192 176.094 0.051 0.000 1.080 50 V CA 0.749 63.102 62.300 0.087 0.000 1.101 50 V CB -1.016 30.867 31.823 0.101 0.000 0.698 50 V HN 0.845 nan 8.190 nan 0.000 0.477 51 K N -0.091 120.334 120.400 0.041 0.000 3.419 51 K HA -0.230 4.090 4.320 -0.001 0.000 0.272 51 K C 0.957 177.572 176.600 0.024 0.000 0.973 51 K CA 0.332 56.635 56.287 0.028 0.000 0.749 51 K CB -1.789 30.724 32.500 0.023 0.000 1.403 51 K HN 0.873 nan 8.250 nan 0.000 0.456 52 G N 0.003 108.819 108.800 0.027 0.000 2.168 52 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.257 52 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.257 52 G C 0.126 175.033 174.900 0.012 0.000 0.997 52 G CA 1.060 46.171 45.100 0.019 0.000 0.708 52 G HN 0.426 nan 8.290 nan 0.000 0.520 53 K N -0.236 120.173 120.400 0.016 0.000 2.148 53 K HA 0.572 4.891 4.320 -0.001 0.000 0.239 53 K C 0.359 176.954 176.600 -0.008 0.000 1.018 53 K CA -0.201 56.088 56.287 0.003 0.000 0.923 53 K CB 0.584 33.091 32.500 0.012 0.000 1.117 53 K HN 0.098 nan 8.250 nan 0.000 0.477 54 T N 1.478 116.014 114.554 -0.030 0.000 2.806 54 T HA 0.358 4.707 4.350 -0.001 0.000 0.290 54 T C 0.199 174.850 174.700 -0.080 0.000 0.966 54 T CA -0.460 61.608 62.100 -0.054 0.000 1.060 54 T CB 0.274 69.099 68.868 -0.071 0.000 0.927 54 T HN 0.276 nan 8.240 nan 0.000 0.485 55 I N 4.873 125.381 120.570 -0.103 0.000 2.315 55 I HA 0.442 4.611 4.170 -0.001 0.000 0.291 55 I C 0.353 176.367 176.117 -0.172 0.000 1.006 55 I CA -0.550 60.644 61.300 -0.176 0.000 1.265 55 I CB 0.756 38.622 38.000 -0.224 0.000 1.387 55 I HN 0.583 nan 8.210 nan 0.000 0.475 56 M N 6.314 125.803 119.600 -0.185 0.000 2.691 56 M HA 0.722 5.202 4.480 -0.001 0.000 0.293 56 M C -2.908 173.291 176.300 -0.169 0.000 1.259 56 M CA -2.221 52.980 55.300 -0.165 0.000 0.827 56 M CB 1.730 34.235 32.600 -0.157 0.000 1.753 56 M HN -0.002 nan 8.290 nan 0.000 0.465 57 P HA 0.168 nan 4.420 nan 0.000 0.269 57 P C 0.048 177.273 177.300 -0.125 0.000 1.209 57 P CA 0.178 63.209 63.100 -0.114 0.000 0.776 57 P CB 0.282 31.934 31.700 -0.081 0.000 0.876 58 G N 2.672 111.408 108.800 -0.107 0.000 2.414 58 G HA2 0.154 4.114 3.960 -0.001 0.000 0.236 58 G HA3 0.154 4.114 3.960 -0.001 0.000 0.236 58 G C -0.202 174.632 174.900 -0.109 0.000 1.293 58 G CA -0.404 44.629 45.100 -0.112 0.000 0.869 58 G HN 0.397 nan 8.290 nan 0.000 0.556 59 L N 0.819 121.940 121.223 -0.170 0.000 2.439 59 L HA 0.455 4.794 4.340 -0.001 0.000 0.261 59 L C 0.390 177.314 176.870 0.089 0.000 1.153 59 L CA -0.336 54.411 54.840 -0.155 0.000 0.808 59 L CB 0.932 42.674 42.059 -0.528 0.000 1.126 59 L HN 0.311 nan 8.230 nan 0.000 0.460 60 I N 0.992 121.675 120.570 0.189 0.000 2.447 60 I HA 0.226 4.396 4.170 -0.001 0.000 0.287 60 I C -1.046 175.269 176.117 0.330 0.000 1.023 60 I CA -0.468 60.966 61.300 0.223 0.000 1.083 60 I CB 2.066 40.102 38.000 0.060 0.000 1.245 60 I HN 0.473 nan 8.210 nan 0.000 0.434 61 D N 6.817 127.352 120.400 0.226 0.000 2.392 61 D HA 0.302 4.941 4.640 -0.001 0.000 0.228 61 D C 0.634 176.925 176.300 -0.015 0.000 1.074 61 D CA -0.278 53.777 54.000 0.092 0.000 0.838 61 D CB 1.584 42.209 40.800 -0.292 0.000 1.067 61 D HN 0.463 nan 8.370 nan 0.000 0.511 62 L N 2.595 123.821 121.223 0.005 0.000 2.552 62 L HA 0.005 4.344 4.340 -0.001 0.000 0.227 62 L C 0.386 177.209 176.870 -0.078 0.000 1.146 62 L CA 0.569 55.378 54.840 -0.051 0.000 0.858 62 L CB -0.177 41.859 42.059 -0.038 0.000 0.969 62 L HN 0.448 nan 8.230 nan 0.000 0.451 63 H N -0.305 118.647 119.070 -0.198 0.000 2.974 63 H HA 0.430 4.986 4.556 -0.001 0.000 0.285 63 H C -0.939 174.201 175.328 -0.313 0.000 1.227 63 H CA -0.554 55.343 56.048 -0.251 0.000 1.569 63 H CB 0.918 30.546 29.762 -0.222 0.000 1.648 63 H HN -0.102 nan 8.280 nan 0.000 0.521 64 V N 1.254 120.949 119.914 -0.366 0.000 3.102 64 V HA 0.580 4.700 4.120 -0.001 0.000 0.312 64 V C -0.994 174.762 176.094 -0.564 0.000 1.135 64 V CA -0.742 61.356 62.300 -0.336 0.000 1.022 64 V CB 2.577 34.249 31.823 -0.252 0.000 1.056 64 V HN 0.718 nan 8.190 nan 0.000 0.436 65 H N 2.752 121.744 119.070 -0.131 0.000 2.854 65 H HA 0.321 4.877 4.556 -0.001 0.000 0.275 65 H C 0.712 175.927 175.328 -0.187 0.000 1.198 65 H CA 0.406 56.365 56.048 -0.148 0.000 1.489 65 H CB 1.873 31.572 29.762 -0.106 0.000 1.519 65 H HN 0.821 nan 8.280 nan 0.000 0.503 66 V N 1.768 121.582 119.914 -0.167 0.000 2.913 66 V HA -0.126 3.993 4.120 -0.001 0.000 0.260 66 V C 1.509 177.458 176.094 -0.242 0.000 1.098 66 V CA 1.552 63.702 62.300 -0.251 0.000 1.121 66 V CB -0.632 30.946 31.823 -0.408 0.000 0.714 66 V HN 0.419 nan 8.190 nan 0.000 0.487 67 V N -1.941 117.861 119.914 -0.186 0.000 3.621 67 V HA 0.641 4.761 4.120 -0.001 0.000 0.285 67 V C 1.386 177.428 176.094 -0.086 0.000 1.346 67 V CA 0.217 62.445 62.300 -0.119 0.000 1.104 67 V CB -0.710 31.076 31.823 -0.062 0.000 0.913 67 V HN 0.578 nan 8.190 nan 0.000 0.432 68 A N 1.755 124.519 122.820 -0.093 0.000 2.990 68 A HA 0.565 4.885 4.320 -0.001 0.000 0.282 68 A C 1.043 178.536 177.584 -0.152 0.000 1.688 68 A CA 0.092 52.051 52.037 -0.130 0.000 1.391 68 A CB -0.975 17.941 19.000 -0.140 0.000 1.112 68 A HN 0.857 nan 8.150 nan 0.000 0.588 69 I N -2.588 117.911 120.570 -0.119 0.000 3.728 69 I HA 0.303 4.472 4.170 -0.001 0.000 0.307 69 I C 0.313 176.358 176.117 -0.120 0.000 1.276 69 I CA 0.302 61.536 61.300 -0.109 0.000 1.285 69 I CB 0.037 38.001 38.000 -0.061 0.000 1.038 69 I HN 0.386 nan 8.210 nan 0.000 0.445 70 E N -0.417 119.704 120.200 -0.131 0.000 2.433 70 E HA 0.329 4.679 4.350 -0.001 0.000 0.278 70 E C -0.600 175.931 176.600 -0.116 0.000 0.976 70 E CA -0.742 55.607 56.400 -0.086 0.000 0.793 70 E CB 1.629 31.331 29.700 0.003 0.000 1.311 70 E HN -0.058 nan 8.360 nan 0.000 0.460 71 F N 0.641 120.577 119.950 -0.024 0.000 2.234 71 F HA -0.058 4.468 4.527 -0.001 0.000 0.299 71 F C 1.449 177.238 175.800 -0.018 0.000 1.087 71 F CA 0.679 58.671 58.000 -0.013 0.000 1.340 71 F CB 0.180 39.197 39.000 0.029 0.000 1.031 71 F HN 0.281 nan 8.300 nan 0.000 0.500 72 N N 1.428 120.220 118.700 0.153 0.000 2.448 72 N HA 0.064 4.804 4.740 -0.001 0.000 0.250 72 N C 0.787 176.303 175.510 0.009 0.000 1.136 72 N CA 0.247 53.340 53.050 0.071 0.000 0.953 72 N CB 0.255 38.781 38.487 0.064 0.000 1.251 72 N HN 0.215 nan 8.380 nan 0.000 0.502 73 L N 4.128 125.336 121.223 -0.025 0.000 2.072 73 L HA 0.012 4.352 4.340 -0.001 0.000 0.205 73 L C -0.588 176.246 176.870 -0.061 0.000 1.079 73 L CA 0.933 55.731 54.840 -0.070 0.000 0.752 73 L CB -1.199 40.787 42.059 -0.122 0.000 0.906 73 L HN 0.402 nan 8.230 nan 0.000 0.436 74 P HA -0.189 nan 4.420 nan 0.000 0.218 74 P C 1.502 178.785 177.300 -0.027 0.000 1.148 74 P CA 1.243 64.316 63.100 -0.046 0.000 0.822 74 P CB -0.127 31.548 31.700 -0.042 0.000 0.784 75 R N 0.004 120.495 120.500 -0.015 0.000 2.092 75 R HA -0.073 4.266 4.340 -0.001 0.000 0.231 75 R C 1.804 178.100 176.300 -0.007 0.000 1.119 75 R CA 1.195 57.292 56.100 -0.004 0.000 0.970 75 R CB -0.734 29.572 30.300 0.010 0.000 0.864 75 R HN 0.066 nan 8.270 nan 0.000 0.440 76 V N 1.023 120.927 119.914 -0.016 0.000 2.407 76 V HA -0.204 3.916 4.120 -0.001 0.000 0.248 76 V C 2.443 178.529 176.094 -0.013 0.000 1.055 76 V CA 1.775 64.064 62.300 -0.018 0.000 1.049 76 V CB -0.733 31.068 31.823 -0.037 0.000 0.662 76 V HN 0.423 nan 8.190 nan 0.000 0.455 77 A N 0.652 123.460 122.820 -0.020 0.000 2.125 77 A HA -0.176 4.144 4.320 -0.001 0.000 0.219 77 A C 2.331 179.912 177.584 -0.005 0.000 1.156 77 A CA 2.088 54.117 52.037 -0.014 0.000 0.671 77 A CB -0.663 18.323 19.000 -0.023 0.000 0.794 77 A HN 0.662 nan 8.150 nan 0.000 0.459 78 T N -2.854 111.699 114.554 -0.003 0.000 3.044 78 T HA 0.379 4.729 4.350 -0.001 0.000 0.250 78 T C 0.569 175.272 174.700 0.006 0.000 1.081 78 T CA -0.282 61.820 62.100 0.002 0.000 1.040 78 T CB -0.371 68.499 68.868 0.004 0.000 0.962 78 T HN 0.210 nan 8.240 nan 0.000 0.506 79 L N 2.369 123.596 121.223 0.006 0.000 2.426 79 L HA 0.320 4.659 4.340 -0.001 0.000 0.271 79 L C -2.129 174.747 176.870 0.010 0.000 1.169 79 L CA -2.135 52.710 54.840 0.009 0.000 0.836 79 L CB 0.061 42.126 42.059 0.009 0.000 1.112 79 L HN -0.003 nan 8.230 nan 0.000 0.465 80 P HA -0.042 nan 4.420 nan 0.000 0.263 80 P C 0.109 177.416 177.300 0.012 0.000 1.175 80 P CA 0.140 63.245 63.100 0.009 0.000 0.761 80 P CB 0.399 32.104 31.700 0.008 0.000 0.794 81 N N 1.678 120.383 118.700 0.009 0.000 2.166 81 N HA -0.109 4.631 4.740 -0.001 0.000 0.186 81 N C 1.599 177.114 175.510 0.008 0.000 1.019 81 N CA 0.965 54.021 53.050 0.010 0.000 0.856 81 N CB -0.573 37.914 38.487 -0.001 0.000 0.993 81 N HN 0.155 nan 8.380 nan 0.000 0.426 82 V N 1.847 121.763 119.914 0.003 0.000 2.332 82 V HA -0.186 3.933 4.120 -0.001 0.000 0.248 82 V C 2.411 178.514 176.094 0.014 0.000 1.055 82 V CA 1.266 63.567 62.300 0.002 0.000 1.038 82 V CB -0.458 31.365 31.823 0.000 0.000 0.651 82 V HN 0.245 nan 8.190 nan 0.000 0.450 83 L N -0.636 120.597 121.223 0.017 0.000 2.044 83 L HA -0.101 4.239 4.340 -0.001 0.000 0.205 83 L C 2.484 179.374 176.870 0.033 0.000 1.075 83 L CA 1.025 55.877 54.840 0.021 0.000 0.747 83 L CB -0.642 41.427 42.059 0.017 0.000 0.903 83 L HN 0.205 nan 8.230 nan 0.000 0.435 84 V N -0.448 119.489 119.914 0.039 0.000 2.343 84 V HA -0.284 3.836 4.120 -0.001 0.000 0.247 84 V C 2.582 178.741 176.094 0.108 0.000 1.051 84 V CA 2.324 64.659 62.300 0.058 0.000 1.036 84 V CB -0.914 30.946 31.823 0.060 0.000 0.654 84 V HN 0.466 nan 8.190 nan 0.000 0.451 85 T N 0.574 115.199 114.554 0.117 0.000 2.635 85 T HA -0.187 4.163 4.350 -0.001 0.000 0.267 85 T C 1.872 176.654 174.700 0.136 0.000 1.040 85 T CA 1.620 63.815 62.100 0.159 0.000 1.156 85 T CB -0.363 68.517 68.868 0.021 0.000 0.863 85 T HN 0.156 nan 8.240 nan 0.000 0.430 86 L N 0.894 122.159 121.223 0.071 0.000 2.131 86 L HA 0.050 4.390 4.340 -0.001 0.000 0.210 86 L C 2.468 179.369 176.870 0.051 0.000 1.092 86 L CA 1.545 56.417 54.840 0.053 0.000 0.759 86 L CB -0.813 41.264 42.059 0.031 0.000 0.903 86 L HN 0.178 nan 8.230 nan 0.000 0.435 87 R N -1.135 119.391 120.500 0.044 0.000 2.276 87 R HA 0.092 4.432 4.340 -0.001 0.000 0.203 87 R C 1.920 178.227 176.300 0.011 0.000 1.017 87 R CA 0.784 56.897 56.100 0.021 0.000 1.010 87 R CB -0.113 30.191 30.300 0.007 0.000 0.900 87 R HN 0.299 nan 8.270 nan 0.000 0.469 88 A N 0.501 123.343 122.820 0.036 0.000 2.123 88 A HA 0.007 4.327 4.320 -0.001 0.000 0.214 88 A C 2.148 179.738 177.584 0.009 0.000 1.152 88 A CA 0.432 52.464 52.037 -0.009 0.000 0.728 88 A CB 0.002 18.986 19.000 -0.027 0.000 0.814 88 A HN 0.031 nan 8.150 nan 0.000 0.464 89 V N 1.315 121.264 119.914 0.058 0.000 2.244 89 V HA -0.138 3.981 4.120 -0.001 0.000 0.244 89 V C -0.088 176.025 176.094 0.031 0.000 1.042 89 V CA 2.407 64.742 62.300 0.059 0.000 1.006 89 V CB -1.472 30.390 31.823 0.066 0.000 0.641 89 V HN 0.393 nan 8.190 nan 0.000 0.446 90 P HA -0.191 nan 4.420 nan 0.000 0.216 90 P C 1.838 179.143 177.300 0.008 0.000 1.153 90 P CA 1.787 64.901 63.100 0.024 0.000 0.858 90 P CB -0.044 31.666 31.700 0.017 0.000 0.789 91 I N -0.988 119.572 120.570 -0.018 0.000 2.076 91 I HA -0.255 3.915 4.170 -0.001 0.000 0.237 91 I C 2.774 178.860 176.117 -0.051 0.000 1.059 91 I CA 1.692 62.965 61.300 -0.044 0.000 1.317 91 I CB -0.605 37.348 38.000 -0.078 0.000 1.037 91 I HN -0.135 nan 8.210 nan 0.000 0.398 92 M N -0.350 119.211 119.600 -0.065 0.000 2.195 92 M HA -0.271 4.208 4.480 -0.001 0.000 0.260 92 M C 2.446 178.705 176.300 -0.069 0.000 1.066 92 M CA 1.698 56.951 55.300 -0.079 0.000 1.089 92 M CB -0.479 32.077 32.600 -0.073 0.000 1.377 92 M HN 0.209 nan 8.290 nan 0.000 0.411 93 R N 0.264 120.745 120.500 -0.031 0.000 2.075 93 R HA -0.045 4.295 4.340 -0.001 0.000 0.226 93 R C 2.191 178.497 176.300 0.011 0.000 1.114 93 R CA 1.291 57.381 56.100 -0.016 0.000 0.972 93 R CB -0.191 30.159 30.300 0.084 0.000 0.869 93 R HN 0.320 nan 8.270 nan 0.000 0.437 94 A N 0.999 123.842 122.820 0.038 0.000 1.940 94 A HA -0.185 4.135 4.320 -0.001 0.000 0.219 94 A C 2.180 179.805 177.584 0.069 0.000 1.176 94 A CA 1.525 53.601 52.037 0.064 0.000 0.631 94 A CB -0.438 18.590 19.000 0.047 0.000 0.814 94 A HN 0.369 nan 8.150 nan 0.000 0.446 95 M N -1.473 118.146 119.600 0.032 0.000 2.086 95 M HA -0.145 4.334 4.480 -0.001 0.000 0.261 95 M C 2.150 178.525 176.300 0.125 0.000 1.067 95 M CA 1.548 56.898 55.300 0.082 0.000 1.116 95 M CB -0.322 32.268 32.600 -0.016 0.000 1.348 95 M HN 0.463 nan 8.290 nan 0.000 0.407 96 L N 0.102 121.290 121.223 -0.058 0.000 2.046 96 L HA -0.168 4.172 4.340 -0.001 0.000 0.208 96 L C 2.433 179.236 176.870 -0.112 0.000 1.077 96 L CA 1.813 56.529 54.840 -0.207 0.000 0.747 96 L CB -0.629 41.048 42.059 -0.637 0.000 0.896 96 L HN 0.124 nan 8.230 nan 0.000 0.432 97 R N 0.204 120.718 120.500 0.024 0.000 2.083 97 R HA -0.127 4.213 4.340 -0.001 0.000 0.237 97 R C 2.183 178.553 176.300 0.117 0.000 1.137 97 R CA 1.623 57.848 56.100 0.208 0.000 0.951 97 R CB -0.434 30.013 30.300 0.245 0.000 0.851 97 R HN 0.318 nan 8.270 nan 0.000 0.434 98 R N -0.939 119.640 120.500 0.131 0.000 2.369 98 R HA 0.065 4.404 4.340 -0.001 0.000 0.200 98 R C 0.665 176.916 176.300 -0.082 0.000 1.046 98 R CA 0.701 56.874 56.100 0.122 0.000 1.057 98 R CB 0.016 30.500 30.300 0.306 0.000 0.888 98 R HN 0.600 nan 8.270 nan 0.000 0.474 99 G N -0.119 108.612 108.800 -0.115 0.000 2.179 99 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.220 99 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.220 99 G C -0.072 174.610 174.900 -0.364 0.000 0.990 99 G CA -0.610 44.325 45.100 -0.276 0.000 0.646 99 G HN 0.218 nan 8.290 nan 0.000 0.517 100 F N 2.762 122.704 119.950 -0.014 0.000 2.423 100 F HA 0.428 4.955 4.527 -0.001 0.000 0.356 100 F C 1.905 177.667 175.800 -0.063 0.000 1.170 100 F CA 0.571 58.557 58.000 -0.023 0.000 1.163 100 F CB 1.049 40.050 39.000 0.003 0.000 1.318 100 F HN 0.107 nan 8.300 nan 0.000 0.569 101 T N -2.261 112.326 114.554 0.055 0.000 3.035 101 T HA 0.075 4.425 4.350 -0.001 0.000 0.259 101 T C 0.762 175.476 174.700 0.023 0.000 1.078 101 T CA 0.407 62.505 62.100 -0.003 0.000 1.132 101 T CB -0.021 68.826 68.868 -0.036 0.000 0.900 101 T HN 0.355 nan 8.240 nan 0.000 0.480 102 T N 2.381 116.976 114.554 0.069 0.000 2.876 102 T HA 0.680 5.030 4.350 -0.001 0.000 0.289 102 T C -0.843 173.913 174.700 0.093 0.000 1.014 102 T CA -0.670 61.479 62.100 0.082 0.000 0.986 102 T CB 2.142 71.044 68.868 0.058 0.000 1.021 102 T HN 0.420 nan 8.240 nan 0.000 0.458 103 V N 0.887 120.849 119.914 0.079 0.000 2.925 103 V HA 0.739 4.859 4.120 -0.001 0.000 0.311 103 V C -0.667 175.448 176.094 0.036 0.000 1.104 103 V CA -1.401 60.908 62.300 0.015 0.000 0.954 103 V CB 2.030 33.817 31.823 -0.059 0.000 1.022 103 V HN 0.843 nan 8.190 nan 0.000 0.427 104 R N 2.410 122.885 120.500 -0.041 0.000 2.229 104 R HA 0.335 4.675 4.340 -0.001 0.000 0.328 104 R C -0.567 175.645 176.300 -0.148 0.000 1.009 104 R CA -0.412 55.663 56.100 -0.042 0.000 0.864 104 R CB 0.830 31.080 30.300 -0.083 0.000 1.085 104 R HN 1.014 nan 8.270 nan 0.000 0.453 105 D N 3.179 123.500 120.400 -0.132 0.000 2.308 105 D HA 0.106 4.746 4.640 -0.001 0.000 0.251 105 D C -0.117 176.009 176.300 -0.289 0.000 1.127 105 D CA 0.072 53.930 54.000 -0.236 0.000 0.876 105 D CB 1.697 42.398 40.800 -0.165 0.000 1.176 105 D HN 0.693 nan 8.370 nan 0.000 0.446 106 A N 2.763 125.266 122.820 -0.529 0.000 2.345 106 A HA 0.516 4.836 4.320 -0.001 0.000 0.225 106 A C 0.738 178.234 177.584 -0.146 0.000 1.243 106 A CA 0.409 52.136 52.037 -0.517 0.000 0.875 106 A CB 0.074 18.355 19.000 -1.198 0.000 0.929 106 A HN 0.672 nan 8.150 nan 0.000 0.502 107 G N -2.699 106.087 108.800 -0.024 0.000 2.158 107 G HA2 0.550 4.510 3.960 -0.001 0.000 0.238 107 G HA3 0.550 4.510 3.960 -0.001 0.000 0.238 107 G C 0.225 175.216 174.900 0.150 0.000 1.723 107 G CA 0.357 45.529 45.100 0.119 0.000 0.911 107 G HN 1.808 nan 8.290 nan 0.000 0.741 108 G N 0.821 109.658 108.800 0.062 0.000 2.591 108 G HA2 0.422 4.381 3.960 -0.001 0.000 0.226 108 G HA3 0.422 4.381 3.960 -0.001 0.000 0.226 108 G C 1.093 176.027 174.900 0.056 0.000 1.598 108 G CA 1.253 46.381 45.100 0.046 0.000 1.349 108 G HN 2.575 nan 8.290 nan 0.000 0.493 109 A N 1.492 124.313 122.820 0.002 0.000 2.591 109 A HA 0.513 4.832 4.320 -0.001 0.000 0.244 109 A C 1.177 178.848 177.584 0.144 0.000 1.031 109 A CA 2.104 54.178 52.037 0.062 0.000 0.767 109 A CB -0.345 18.507 19.000 -0.247 0.000 0.942 109 A HN 2.231 nan 8.150 nan 0.000 0.514 110 G N 0.090 109.046 108.800 0.260 0.000 2.795 110 G HA2 0.400 4.359 3.960 -0.001 0.000 0.267 110 G HA3 0.400 4.359 3.960 -0.001 0.000 0.267 110 G C 0.565 175.583 174.900 0.196 0.000 1.362 110 G CA 0.091 45.298 45.100 0.179 0.000 1.048 110 G HN 0.755 nan 8.290 nan 0.000 0.547 111 Y N 1.192 121.509 120.300 0.028 0.000 2.151 111 Y HA -0.104 4.445 4.550 -0.001 0.000 0.284 111 Y C 0.022 175.920 175.900 -0.004 0.000 1.166 111 Y CA 2.438 60.537 58.100 -0.001 0.000 1.163 111 Y CB -0.794 37.652 38.460 -0.024 0.000 0.974 111 Y HN 0.298 nan 8.280 nan 0.000 0.511 112 P HA -0.228 nan 4.420 nan 0.000 0.216 112 P C 1.443 178.608 177.300 -0.225 0.000 1.154 112 P CA 2.019 65.033 63.100 -0.143 0.000 0.865 112 P CB -0.305 31.296 31.700 -0.165 0.000 0.789 113 F N 0.073 119.962 119.950 -0.101 0.000 2.134 113 F HA -0.132 4.395 4.527 -0.001 0.000 0.299 113 F C 2.465 178.171 175.800 -0.157 0.000 1.097 113 F CA 1.484 59.421 58.000 -0.105 0.000 1.264 113 F CB -0.850 38.106 39.000 -0.074 0.000 1.001 113 F HN -0.157 nan 8.300 nan 0.000 0.479 114 K N 0.667 121.054 120.400 -0.022 0.000 2.009 114 K HA -0.267 4.052 4.320 -0.001 0.000 0.210 114 K C 2.151 178.593 176.600 -0.263 0.000 1.049 114 K CA 2.063 58.247 56.287 -0.172 0.000 0.929 114 K CB -0.305 32.040 32.500 -0.258 0.000 0.714 114 K HN 0.460 nan 8.250 nan 0.000 0.440 115 Q N -0.477 119.066 119.800 -0.427 0.000 2.224 115 Q HA -0.052 4.287 4.340 -0.001 0.000 0.203 115 Q C 1.933 177.823 176.000 -0.183 0.000 0.970 115 Q CA 1.151 56.742 55.803 -0.352 0.000 0.865 115 Q CB -0.238 28.229 28.738 -0.452 0.000 0.922 115 Q HN 0.317 nan 8.270 nan 0.000 0.445 116 A N 1.193 123.924 122.820 -0.149 0.000 1.933 116 A HA -0.091 4.229 4.320 -0.001 0.000 0.218 116 A C 2.298 179.853 177.584 -0.048 0.000 1.175 116 A CA 1.463 53.446 52.037 -0.089 0.000 0.628 116 A CB -0.611 18.337 19.000 -0.087 0.000 0.814 116 A HN 0.249 nan 8.150 nan 0.000 0.444 117 V N -0.216 119.673 119.914 -0.043 0.000 2.346 117 V HA -0.123 3.997 4.120 -0.001 0.000 0.244 117 V C 2.514 178.578 176.094 -0.050 0.000 1.037 117 V CA 1.834 64.114 62.300 -0.033 0.000 1.029 117 V CB -0.584 31.219 31.823 -0.033 0.000 0.663 117 V HN 0.453 nan 8.190 nan 0.000 0.454 118 E N 0.754 120.905 120.200 -0.081 0.000 2.160 118 E HA -0.163 4.186 4.350 -0.001 0.000 0.195 118 E C 2.459 179.031 176.600 -0.047 0.000 0.991 118 E CA 1.657 58.013 56.400 -0.074 0.000 0.810 118 E CB -0.377 29.259 29.700 -0.106 0.000 0.742 118 E HN 0.735 nan 8.360 nan 0.000 0.466 119 S N -1.513 114.157 115.700 -0.050 0.000 2.496 119 S HA 0.134 4.604 4.470 -0.001 0.000 0.224 119 S C 1.635 176.227 174.600 -0.013 0.000 0.996 119 S CA 0.989 59.171 58.200 -0.031 0.000 0.927 119 S CB 0.430 63.606 63.200 -0.039 0.000 0.774 119 S HN 0.289 nan 8.310 nan 0.000 0.524 120 G N 0.941 109.735 108.800 -0.010 0.000 2.194 120 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.236 120 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.236 120 G C 0.637 175.544 174.900 0.011 0.000 0.987 120 G CA 0.247 45.352 45.100 0.008 0.000 0.635 120 G HN 0.443 nan 8.290 nan 0.000 0.520 121 L N -0.072 121.149 121.223 -0.003 0.000 2.034 121 L HA -0.014 4.325 4.340 -0.001 0.000 0.217 121 L C 1.829 178.707 176.870 0.014 0.000 1.077 121 L CA 2.563 57.401 54.840 -0.002 0.000 0.769 121 L CB -0.423 41.623 42.059 -0.021 0.000 0.890 121 L HN 0.744 nan 8.230 nan 0.000 0.435 122 V N -4.369 115.557 119.914 0.020 0.000 3.102 122 V HA 0.475 4.595 4.120 -0.001 0.000 0.312 122 V C -0.771 175.344 176.094 0.036 0.000 1.135 122 V CA -1.051 61.272 62.300 0.039 0.000 1.022 122 V CB 2.069 33.923 31.823 0.051 0.000 1.056 122 V HN 0.060 nan 8.190 nan 0.000 0.436 123 E N 0.605 120.834 120.200 0.048 0.000 2.191 123 E HA 0.787 5.137 4.350 -0.001 0.000 0.274 123 E C -0.030 176.527 176.600 -0.071 0.000 0.948 123 E CA -0.120 56.290 56.400 0.018 0.000 0.802 123 E CB 1.985 31.767 29.700 0.136 0.000 1.137 123 E HN 1.301 nan 8.360 nan 0.000 0.397 124 G N 2.271 110.984 108.800 -0.145 0.000 2.340 124 G HA2 0.267 4.226 3.960 -0.001 0.000 0.299 124 G HA3 0.267 4.226 3.960 -0.001 0.000 0.299 124 G C -3.109 171.698 174.900 -0.156 0.000 1.291 124 G CA -0.895 44.103 45.100 -0.170 0.000 0.841 124 G HN 0.255 nan 8.290 nan 0.000 0.500 125 P HA 0.337 nan 4.420 nan 0.000 0.274 125 P C -0.211 177.063 177.300 -0.043 0.000 1.237 125 P CA -0.553 62.511 63.100 -0.060 0.000 0.793 125 P CB 0.589 32.285 31.700 -0.007 0.000 0.977 126 R N 1.971 122.458 120.500 -0.021 0.000 2.623 126 R HA 0.165 4.505 4.340 -0.001 0.000 0.271 126 R C -0.802 175.521 176.300 0.039 0.000 1.043 126 R CA 0.062 56.151 56.100 -0.018 0.000 1.083 126 R CB -0.360 29.938 30.300 -0.004 0.000 0.974 126 R HN 0.452 nan 8.270 nan 0.000 0.436 127 L N 5.077 126.279 121.223 -0.035 0.000 2.322 127 L HA 0.419 4.758 4.340 -0.001 0.000 0.281 127 L C -0.938 175.891 176.870 -0.068 0.000 1.014 127 L CA -0.728 54.108 54.840 -0.006 0.000 0.815 127 L CB 1.349 43.375 42.059 -0.054 0.000 1.247 127 L HN 0.570 nan 8.230 nan 0.000 0.421 128 F N 3.106 123.019 119.950 -0.062 0.000 2.375 128 F HA 0.401 4.928 4.527 -0.001 0.000 0.361 128 F C 0.198 175.960 175.800 -0.063 0.000 1.117 128 F CA -0.862 57.109 58.000 -0.047 0.000 1.037 128 F CB 1.679 40.655 39.000 -0.040 0.000 1.192 128 F HN 0.097 nan 8.300 nan 0.000 0.452 129 V N 0.280 120.220 119.914 0.043 0.000 2.483 129 V HA 0.526 4.646 4.120 -0.001 0.000 0.295 129 V C 0.367 176.461 176.094 0.000 0.000 1.035 129 V CA -0.370 61.939 62.300 0.015 0.000 0.896 129 V CB 1.549 33.390 31.823 0.030 0.000 0.986 129 V HN 0.671 nan 8.190 nan 0.000 0.447 130 S N 2.819 118.503 115.700 -0.027 0.000 2.486 130 S HA 0.439 4.909 4.470 -0.001 0.000 0.220 130 S C 1.262 175.852 174.600 -0.017 0.000 1.011 130 S CA 0.705 58.877 58.200 -0.045 0.000 0.921 130 S CB -0.129 63.031 63.200 -0.066 0.000 0.785 130 S HN 1.957 nan 8.310 nan 0.000 0.517 131 G N 1.914 110.721 108.800 0.010 0.000 2.509 131 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.259 131 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.259 131 G C -0.409 174.505 174.900 0.024 0.000 1.169 131 G CA -0.496 44.620 45.100 0.027 0.000 0.953 131 G HN 0.422 nan 8.290 nan 0.000 0.563 132 R N 0.786 121.298 120.500 0.021 0.000 2.349 132 R HA 0.626 4.966 4.340 -0.001 0.000 0.299 132 R C 0.746 177.060 176.300 0.022 0.000 1.027 132 R CA 0.102 56.215 56.100 0.021 0.000 0.958 132 R CB 1.308 31.619 30.300 0.018 0.000 1.047 132 R HN 1.043 nan 8.270 nan 0.000 0.468 133 A N 3.484 126.321 122.820 0.029 0.000 2.462 133 A HA 0.185 4.504 4.320 -0.001 0.000 0.243 133 A C -0.469 177.150 177.584 0.058 0.000 1.076 133 A CA -0.299 51.765 52.037 0.045 0.000 0.773 133 A CB 0.188 19.224 19.000 0.059 0.000 1.010 133 A HN 0.437 nan 8.150 nan 0.000 0.493 134 L N 2.182 123.461 121.223 0.093 0.000 2.305 134 L HA 0.514 4.853 4.340 -0.001 0.000 0.281 134 L C 0.759 177.760 176.870 0.219 0.000 1.085 134 L CA 0.858 55.790 54.840 0.153 0.000 0.813 134 L CB 1.341 43.494 42.059 0.158 0.000 1.157 134 L HN 0.762 nan 8.230 nan 0.000 0.436 135 S N 2.874 118.669 115.700 0.158 0.000 2.549 135 S HA 0.587 5.056 4.470 -0.001 0.000 0.280 135 S C -0.714 173.819 174.600 -0.110 0.000 1.109 135 S CA -0.891 57.301 58.200 -0.014 0.000 0.905 135 S CB 1.420 64.592 63.200 -0.047 0.000 1.081 135 S HN 0.643 nan 8.310 nan 0.000 0.477 136 Q N 1.998 121.479 119.800 -0.533 0.000 2.471 136 Q HA 0.374 4.713 4.340 -0.001 0.000 0.223 136 Q C -0.469 175.445 176.000 -0.142 0.000 1.045 136 Q CA -0.409 55.186 55.803 -0.346 0.000 0.956 136 Q CB -0.197 28.222 28.738 -0.533 0.000 1.249 136 Q HN 0.546 nan 8.270 nan 0.000 0.549 137 T N 0.875 115.392 114.554 -0.063 0.000 2.867 137 T HA 0.326 4.676 4.350 -0.001 0.000 0.297 137 T C 0.959 175.627 174.700 -0.053 0.000 0.989 137 T CA 0.919 62.994 62.100 -0.041 0.000 1.159 137 T CB 0.062 68.921 68.868 -0.015 0.000 0.928 137 T HN 0.947 nan 8.240 nan 0.000 0.538 138 G N 2.640 111.410 108.800 -0.051 0.000 2.159 138 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.256 138 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.256 138 G C 0.490 175.366 174.900 -0.040 0.000 0.977 138 G CA -0.099 44.975 45.100 -0.044 0.000 0.652 138 G HN 1.114 nan 8.290 nan 0.000 0.531 139 G N -1.765 106.998 108.800 -0.062 0.000 2.557 139 G HA2 0.471 4.431 3.960 -0.001 0.000 0.292 139 G HA3 0.471 4.431 3.960 -0.001 0.000 0.292 139 G C 0.628 175.522 174.900 -0.009 0.000 1.237 139 G CA 0.541 45.613 45.100 -0.048 0.000 0.978 139 G HN 0.570 nan 8.290 nan 0.000 0.498 140 H N -0.299 118.721 119.070 -0.083 0.000 2.390 140 H HA -0.058 4.497 4.556 -0.001 0.000 0.298 140 H C 2.228 177.491 175.328 -0.109 0.000 1.106 140 H CA 2.234 58.219 56.048 -0.105 0.000 1.297 140 H CB 0.051 29.680 29.762 -0.222 0.000 1.375 140 H HN 0.392 nan 8.280 nan 0.000 0.509 141 A N -0.167 122.537 122.820 -0.194 0.000 2.462 141 A HA 0.124 4.443 4.320 -0.001 0.000 0.261 141 A C 0.143 177.644 177.584 -0.138 0.000 1.323 141 A CA 0.158 52.065 52.037 -0.216 0.000 0.913 141 A CB -0.116 18.815 19.000 -0.114 0.000 1.028 141 A HN 0.397 nan 8.150 nan 0.000 0.511 142 D N 0.861 121.188 120.400 -0.121 0.000 2.396 142 D HA 0.267 4.906 4.640 -0.001 0.000 0.225 142 D C -1.600 174.646 176.300 -0.091 0.000 1.121 142 D CA -2.001 51.948 54.000 -0.086 0.000 0.853 142 D CB 1.501 42.261 40.800 -0.068 0.000 1.043 142 D HN 0.107 nan 8.370 nan 0.000 0.500 143 P HA -0.015 nan 4.420 nan 0.000 0.233 143 P C 0.105 177.367 177.300 -0.063 0.000 1.167 143 P CA 0.079 63.133 63.100 -0.076 0.000 0.770 143 P CB 0.373 32.035 31.700 -0.063 0.000 0.837 144 R N 0.689 121.150 120.500 -0.065 0.000 2.522 144 R HA 0.370 4.710 4.340 -0.001 0.000 0.284 144 R C 0.778 177.029 176.300 -0.082 0.000 1.032 144 R CA -0.266 55.789 56.100 -0.075 0.000 1.049 144 R CB 0.281 30.530 30.300 -0.084 0.000 0.956 144 R HN 0.097 nan 8.270 nan 0.000 0.422 145 A N 3.216 125.983 122.820 -0.089 0.000 2.327 145 A HA 0.171 4.491 4.320 -0.001 0.000 0.255 145 A C 0.112 177.628 177.584 -0.115 0.000 1.099 145 A CA -0.335 51.652 52.037 -0.083 0.000 0.801 145 A CB 0.381 19.342 19.000 -0.065 0.000 1.062 145 A HN 0.790 nan 8.150 nan 0.000 0.496 146 R N 0.415 120.862 120.500 -0.089 0.000 2.229 146 R HA 0.536 4.876 4.340 -0.001 0.000 0.328 146 R C -0.248 175.994 176.300 -0.097 0.000 1.009 146 R CA 0.341 56.386 56.100 -0.092 0.000 0.864 146 R CB 0.704 30.971 30.300 -0.055 0.000 1.085 146 R HN 0.801 nan 8.270 nan 0.000 0.453 147 S N 0.942 116.560 115.700 -0.136 0.000 3.070 147 S HA 0.130 4.600 4.470 -0.001 0.000 0.320 147 S C -0.887 173.676 174.600 -0.062 0.000 1.215 147 S CA -0.384 57.756 58.200 -0.099 0.000 0.956 147 S CB 0.946 64.048 63.200 -0.163 0.000 1.337 147 S HN 0.800 nan 8.310 nan 0.000 0.639 148 D N 0.243 120.670 120.400 0.044 0.000 2.342 148 D HA 0.193 4.833 4.640 -0.001 0.000 0.221 148 D C 0.087 176.487 176.300 0.167 0.000 1.101 148 D CA 0.065 54.119 54.000 0.091 0.000 0.837 148 D CB -0.401 40.460 40.800 0.102 0.000 0.938 148 D HN 0.503 nan 8.370 nan 0.000 0.508 149 Y N -2.587 117.712 120.300 -0.001 0.000 2.588 149 Y HA 0.630 5.180 4.550 -0.001 0.000 0.343 149 Y C -0.955 174.944 175.900 -0.001 0.000 1.065 149 Y CA -1.635 56.465 58.100 -0.001 0.000 1.038 149 Y CB 1.293 39.752 38.460 -0.001 0.000 1.297 149 Y HN -0.328 nan 8.280 nan 0.000 0.467 150 M N 4.636 124.253 119.600 0.028 0.000 2.036 150 M HA 0.346 4.826 4.480 -0.001 0.000 0.337 150 M C -2.755 173.584 176.300 0.066 0.000 1.012 150 M CA -1.799 53.470 55.300 -0.051 0.000 0.962 150 M CB 0.578 33.170 32.600 -0.014 0.000 1.423 150 M HN 0.553 nan 8.290 nan 0.000 0.405 151 P HA 0.298 nan 4.420 nan 0.000 0.269 151 P C -2.686 174.644 177.300 0.049 0.000 1.215 151 P CA -0.945 62.230 63.100 0.124 0.000 0.780 151 P CB -0.599 31.175 31.700 0.124 0.000 0.898 152 P HA -0.039 nan 4.420 nan 0.000 0.267 152 P C 0.814 178.123 177.300 0.015 0.000 1.200 152 P CA 0.211 63.327 63.100 0.028 0.000 0.772 152 P CB 0.213 31.931 31.700 0.029 0.000 0.855 153 D N 1.620 122.024 120.400 0.007 0.000 2.191 153 D HA -0.183 4.456 4.640 -0.001 0.000 0.190 153 D C 0.227 176.526 176.300 -0.002 0.000 1.007 153 D CA 2.094 56.093 54.000 -0.002 0.000 0.865 153 D CB 0.042 40.843 40.800 0.001 0.000 0.929 153 D HN 0.443 nan 8.370 nan 0.000 0.447 154 S N -3.271 112.432 115.700 0.005 0.000 2.625 154 S HA 0.575 5.045 4.470 -0.001 0.000 0.271 154 S C -2.155 172.451 174.600 0.011 0.000 1.161 154 S CA -0.960 57.243 58.200 0.006 0.000 0.820 154 S CB 1.496 64.698 63.200 0.003 0.000 1.137 154 S HN -0.175 nan 8.310 nan 0.000 0.470 155 P HA -0.005 nan 4.420 nan 0.000 0.211 155 P C 0.420 177.726 177.300 0.010 0.000 1.181 155 P CA 1.044 64.151 63.100 0.011 0.000 0.929 155 P CB -0.062 31.644 31.700 0.009 0.000 0.789 156 C N 0.007 119.311 119.300 0.008 0.000 2.335 156 C HA 0.664 5.124 4.460 -0.001 0.000 0.318 156 C C 1.925 176.919 174.990 0.006 0.000 1.150 156 C CA -0.132 58.890 59.018 0.006 0.000 1.466 156 C CB -0.571 27.172 27.740 0.005 0.000 2.024 156 C HN 0.507 nan 8.230 nan 0.000 0.429 157 G N 2.880 111.685 108.800 0.007 0.000 2.564 157 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.217 157 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.217 157 G C 1.428 176.331 174.900 0.005 0.000 1.120 157 G CA 1.296 46.401 45.100 0.007 0.000 0.752 157 G HN 0.934 nan 8.290 nan 0.000 0.558 158 C N -0.541 118.761 119.300 0.004 0.000 2.522 158 C HA 0.262 4.722 4.460 -0.001 0.000 0.280 158 C C 1.526 176.516 174.990 0.001 0.000 1.303 158 C CA 0.105 59.124 59.018 0.001 0.000 1.709 158 C CB -0.846 26.895 27.740 0.000 0.000 2.071 158 C HN 0.339 nan 8.230 nan 0.000 0.492 159 C N 2.705 122.006 119.300 0.001 0.000 2.285 159 C HA 0.538 4.998 4.460 -0.001 0.000 0.335 159 C C 0.251 175.243 174.990 0.004 0.000 1.267 159 C CA -0.848 58.171 59.018 0.001 0.000 1.762 159 C CB -0.194 27.546 27.740 -0.000 0.000 2.365 159 C HN 0.429 nan 8.230 nan 0.000 0.527 160 V N 6.182 126.099 119.914 0.005 0.000 2.585 160 V HA 0.129 4.248 4.120 -0.001 0.000 0.296 160 V C 0.698 176.799 176.094 0.011 0.000 1.035 160 V CA 0.185 62.491 62.300 0.010 0.000 1.084 160 V CB -0.016 31.816 31.823 0.016 0.000 0.953 160 V HN 0.700 nan 8.190 nan 0.000 0.483 161 R N 3.687 124.194 120.500 0.013 0.000 2.265 161 R HA 0.241 4.580 4.340 -0.001 0.000 0.314 161 R C 1.035 177.353 176.300 0.029 0.000 1.053 161 R CA -0.346 55.763 56.100 0.015 0.000 0.931 161 R CB 1.168 31.474 30.300 0.010 0.000 1.024 161 R HN 0.565 nan 8.270 nan 0.000 0.457 162 V N 2.579 122.514 119.914 0.036 0.000 2.380 162 V HA -0.223 3.896 4.120 -0.001 0.000 0.251 162 V C 2.095 178.238 176.094 0.080 0.000 1.063 162 V CA 2.491 64.835 62.300 0.074 0.000 1.055 162 V CB -0.547 31.320 31.823 0.073 0.000 0.657 162 V HN 0.987 nan 8.190 nan 0.000 0.455 163 G N -0.663 108.163 108.800 0.044 0.000 2.920 163 G HA2 0.238 4.198 3.960 -0.001 0.000 0.208 163 G HA3 0.238 4.198 3.960 -0.001 0.000 0.208 163 G C 0.650 175.550 174.900 -0.001 0.000 1.159 163 G CA 0.475 45.588 45.100 0.021 0.000 0.784 163 G HN 0.629 nan 8.290 nan 0.000 0.535 164 A N 0.330 123.154 122.820 0.006 0.000 2.451 164 A HA 0.551 4.871 4.320 -0.001 0.000 0.266 164 A C 1.198 178.773 177.584 -0.015 0.000 1.119 164 A CA -0.333 51.698 52.037 -0.011 0.000 0.786 164 A CB 0.405 19.404 19.000 -0.002 0.000 1.061 164 A HN 0.231 nan 8.150 nan 0.000 0.503 165 L N 2.459 123.653 121.223 -0.048 0.000 2.375 165 L HA 0.196 4.536 4.340 -0.001 0.000 0.215 165 L C 1.390 178.241 176.870 -0.032 0.000 1.108 165 L CA 0.912 55.719 54.840 -0.055 0.000 0.830 165 L CB -0.190 41.782 42.059 -0.145 0.000 0.959 165 L HN 0.823 nan 8.230 nan 0.000 0.457 166 G N 0.093 108.869 108.800 -0.039 0.000 2.870 166 G HA2 0.663 4.622 3.960 -0.001 0.000 0.299 166 G HA3 0.663 4.622 3.960 -0.001 0.000 0.299 166 G C -1.409 173.485 174.900 -0.010 0.000 1.324 166 G CA -0.626 44.462 45.100 -0.020 0.000 0.808 166 G HN 0.132 nan 8.290 nan 0.000 0.535 167 R N -1.639 118.863 120.500 0.004 0.000 2.629 167 R HA 0.623 4.963 4.340 -0.001 0.000 0.266 167 R C -1.984 174.332 176.300 0.028 0.000 1.051 167 R CA -0.787 55.319 56.100 0.012 0.000 0.895 167 R CB 1.559 31.871 30.300 0.019 0.000 1.246 167 R HN 0.416 nan 8.270 nan 0.000 0.459 168 V N 1.322 121.250 119.914 0.024 0.000 2.439 168 V HA 0.770 4.890 4.120 -0.001 0.000 0.282 168 V C -0.194 175.939 176.094 0.065 0.000 1.039 168 V CA -0.162 62.160 62.300 0.036 0.000 0.913 168 V CB 1.162 32.992 31.823 0.011 0.000 0.983 168 V HN 0.931 nan 8.190 nan 0.000 0.460 169 A N 4.283 127.176 122.820 0.121 0.000 2.427 169 A HA 0.738 5.058 4.320 -0.001 0.000 0.298 169 A C -1.188 176.524 177.584 0.212 0.000 1.036 169 A CA -0.695 51.422 52.037 0.132 0.000 0.701 169 A CB 1.273 20.341 19.000 0.113 0.000 1.250 169 A HN 0.736 nan 8.150 nan 0.000 0.412 170 D N 1.042 121.531 120.400 0.147 0.000 2.646 170 D HA 0.624 5.263 4.640 -0.001 0.000 0.245 170 D C 0.276 176.642 176.300 0.110 0.000 1.099 170 D CA 0.930 55.032 54.000 0.170 0.000 0.849 170 D CB 2.047 42.911 40.800 0.107 0.000 1.448 170 D HN 1.508 nan 8.370 nan 0.000 0.489 171 G N 0.001 108.868 108.800 0.111 0.000 2.712 171 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.686 171 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.686 171 G C 0.784 175.692 174.900 0.012 0.000 1.321 171 G CA -0.475 44.657 45.100 0.055 0.000 0.813 171 G HN 0.325 nan 8.290 nan 0.000 0.599 172 V N 1.029 120.942 119.914 -0.002 0.000 2.261 172 V HA -0.156 3.963 4.120 -0.001 0.000 0.246 172 V C 2.684 178.763 176.094 -0.025 0.000 1.047 172 V CA 2.894 65.178 62.300 -0.027 0.000 1.015 172 V CB -0.666 31.145 31.823 -0.018 0.000 0.642 172 V HN 0.807 nan 8.190 nan 0.000 0.446 173 D N -0.327 120.068 120.400 -0.009 0.000 2.092 173 D HA -0.207 4.433 4.640 -0.001 0.000 0.193 173 D C 2.190 178.485 176.300 -0.008 0.000 0.994 173 D CA 1.680 55.675 54.000 -0.008 0.000 0.828 173 D CB -0.263 40.537 40.800 -0.000 0.000 0.963 173 D HN 0.544 nan 8.370 nan 0.000 0.450 174 E N 0.049 120.250 120.200 0.002 0.000 2.058 174 E HA -0.175 4.175 4.350 -0.001 0.000 0.194 174 E C 2.208 178.807 176.600 -0.002 0.000 0.997 174 E CA 1.550 57.956 56.400 0.009 0.000 0.801 174 E CB 0.131 29.849 29.700 0.030 0.000 0.746 174 E HN 0.229 nan 8.360 nan 0.000 0.450 175 V N -1.194 118.706 119.914 -0.024 0.000 2.548 175 V HA -0.121 3.998 4.120 -0.001 0.000 0.249 175 V C 2.143 178.199 176.094 -0.064 0.000 1.055 175 V CA 1.410 63.670 62.300 -0.066 0.000 1.065 175 V CB -0.472 31.237 31.823 -0.189 0.000 0.681 175 V HN 0.145 nan 8.190 nan 0.000 0.462 176 R N -0.061 120.407 120.500 -0.053 0.000 2.096 176 R HA -0.071 4.269 4.340 -0.001 0.000 0.235 176 R C 2.642 178.924 176.300 -0.031 0.000 1.127 176 R CA 1.768 57.842 56.100 -0.043 0.000 0.968 176 R CB -0.337 29.942 30.300 -0.035 0.000 0.861 176 R HN 0.554 nan 8.270 nan 0.000 0.440 177 R N 0.290 120.777 120.500 -0.022 0.000 2.057 177 R HA -0.069 4.271 4.340 -0.001 0.000 0.229 177 R C 2.212 178.503 176.300 -0.016 0.000 1.136 177 R CA 1.362 57.453 56.100 -0.016 0.000 0.952 177 R CB -0.232 30.063 30.300 -0.009 0.000 0.848 177 R HN 0.166 nan 8.270 nan 0.000 0.430 178 A N 0.387 123.200 122.820 -0.012 0.000 1.892 178 A HA -0.170 4.150 4.320 -0.001 0.000 0.218 178 A C 2.276 179.850 177.584 -0.016 0.000 1.188 178 A CA 1.936 53.968 52.037 -0.007 0.000 0.631 178 A CB -0.821 18.182 19.000 0.005 0.000 0.822 178 A HN 0.238 nan 8.150 nan 0.000 0.447 179 V N -0.021 119.876 119.914 -0.027 0.000 2.287 179 V HA -0.304 3.816 4.120 -0.001 0.000 0.248 179 V C 2.625 178.700 176.094 -0.033 0.000 1.053 179 V CA 2.354 64.634 62.300 -0.034 0.000 1.027 179 V CB -0.859 30.936 31.823 -0.045 0.000 0.646 179 V HN 0.550 nan 8.190 nan 0.000 0.447 180 R N -0.240 120.242 120.500 -0.030 0.000 2.139 180 R HA -0.213 4.127 4.340 -0.001 0.000 0.243 180 R C 2.252 178.534 176.300 -0.031 0.000 1.145 180 R CA 1.818 57.900 56.100 -0.030 0.000 0.976 180 R CB -0.300 29.984 30.300 -0.026 0.000 0.866 180 R HN 0.661 nan 8.270 nan 0.000 0.449 181 E N 0.171 120.356 120.200 -0.026 0.000 2.046 181 E HA -0.140 4.210 4.350 -0.001 0.000 0.190 181 E C 1.951 178.533 176.600 -0.030 0.000 0.982 181 E CA 0.653 57.037 56.400 -0.026 0.000 0.800 181 E CB 0.080 29.770 29.700 -0.017 0.000 0.756 181 E HN 0.243 nan 8.360 nan 0.000 0.449 182 E N 0.907 121.092 120.200 -0.025 0.000 2.085 182 E HA -0.184 4.166 4.350 -0.001 0.000 0.194 182 E C 2.260 178.836 176.600 -0.039 0.000 0.994 182 E CA 0.866 57.251 56.400 -0.024 0.000 0.801 182 E CB -0.219 29.470 29.700 -0.020 0.000 0.743 182 E HN 0.313 nan 8.360 nan 0.000 0.453 183 L N 0.807 122.003 121.223 -0.046 0.000 2.044 183 L HA -0.166 4.174 4.340 -0.001 0.000 0.205 183 L C 2.822 179.645 176.870 -0.079 0.000 1.075 183 L CA 0.993 55.798 54.840 -0.058 0.000 0.747 183 L CB -0.510 41.520 42.059 -0.049 0.000 0.903 183 L HN 0.134 nan 8.230 nan 0.000 0.435 184 Q N 0.500 120.258 119.800 -0.070 0.000 2.096 184 Q HA -0.274 4.066 4.340 -0.001 0.000 0.208 184 Q C 2.092 178.022 176.000 -0.118 0.000 0.993 184 Q CA 1.992 57.746 55.803 -0.082 0.000 0.862 184 Q CB -0.197 28.506 28.738 -0.059 0.000 0.915 184 Q HN 0.490 nan 8.270 nan 0.000 0.416 185 M N -1.684 117.858 119.600 -0.097 0.000 2.630 185 M HA -0.022 4.457 4.480 -0.001 0.000 0.254 185 M C 0.920 177.112 176.300 -0.180 0.000 1.092 185 M CA 1.015 56.252 55.300 -0.106 0.000 1.087 185 M CB 0.337 32.912 32.600 -0.041 0.000 1.453 185 M HN 0.478 nan 8.290 nan 0.000 0.509 186 G N 0.029 108.700 108.800 -0.214 0.000 2.159 186 G HA2 -0.095 3.864 3.960 -0.001 0.000 0.170 186 G HA3 -0.095 3.864 3.960 -0.001 0.000 0.170 186 G C 0.099 174.979 174.900 -0.034 0.000 1.007 186 G CA -0.199 44.719 45.100 -0.304 0.000 0.672 186 G HN 0.634 nan 8.290 nan 0.000 0.507 187 A N 0.219 123.025 122.820 -0.023 0.000 2.498 187 A HA 0.517 4.837 4.320 -0.001 0.000 0.239 187 A C 1.154 178.731 177.584 -0.012 0.000 1.068 187 A CA 0.926 52.963 52.037 -0.001 0.000 0.766 187 A CB 0.315 19.301 19.000 -0.023 0.000 1.003 187 A HN 0.195 nan 8.150 nan 0.000 0.497 188 D N -0.263 120.135 120.400 -0.002 0.000 2.271 188 D HA 0.016 4.656 4.640 -0.001 0.000 0.206 188 D C 0.690 176.969 176.300 -0.036 0.000 0.967 188 D CA 1.051 55.057 54.000 0.010 0.000 0.867 188 D CB 0.383 41.219 40.800 0.060 0.000 0.960 188 D HN 0.770 nan 8.370 nan 0.000 0.509 189 Q N -0.050 119.682 119.800 -0.113 0.000 2.685 189 Q HA 0.281 4.620 4.340 -0.001 0.000 0.301 189 Q C -1.333 174.530 176.000 -0.229 0.000 0.924 189 Q CA -0.693 54.933 55.803 -0.295 0.000 0.755 189 Q CB 1.522 29.895 28.738 -0.608 0.000 1.470 189 Q HN -0.193 nan 8.270 nan 0.000 0.434 193 M N 3.545 123.267 119.600 0.202 0.000 2.080 193 M HA 0.490 4.970 4.480 -0.001 0.000 0.350 193 M C 0.539 176.949 176.300 0.183 0.000 1.173 193 M CA -0.317 55.092 55.300 0.180 0.000 1.052 193 M CB 0.652 33.305 32.600 0.088 0.000 1.577 193 M HN 0.874 nan 8.290 nan 0.000 0.455 194 A N 2.516 125.459 122.820 0.206 0.000 2.430 194 A HA 0.452 4.771 4.320 -0.001 0.000 0.243 194 A C 0.618 178.281 177.584 0.132 0.000 1.254 194 A CA 0.273 52.394 52.037 0.140 0.000 0.914 194 A CB 0.184 19.228 19.000 0.074 0.000 0.998 194 A HN 0.810 nan 8.150 nan 0.000 0.515 195 S N -2.410 113.418 115.700 0.214 0.000 2.661 195 S HA 0.643 5.112 4.470 -0.001 0.000 0.268 195 S C 0.281 175.037 174.600 0.260 0.000 1.162 195 S CA -0.167 58.172 58.200 0.233 0.000 0.817 195 S CB 0.328 63.647 63.200 0.198 0.000 1.141 195 S HN 1.019 nan 8.310 nan 0.000 0.477 196 G N -0.707 108.236 108.800 0.239 0.000 2.684 196 G HA2 0.568 4.527 3.960 -0.001 0.000 0.255 196 G HA3 0.568 4.527 3.960 -0.001 0.000 0.255 196 G C 0.327 175.400 174.900 0.288 0.000 1.219 196 G CA -0.138 45.093 45.100 0.219 0.000 0.901 196 G HN 1.260 nan 8.290 nan 0.000 0.548 197 G N -2.374 106.556 108.800 0.216 0.000 3.022 197 G HA2 0.462 4.422 3.960 -0.001 0.000 0.284 197 G HA3 0.462 4.422 3.960 -0.001 0.000 0.284 197 G C 0.307 175.351 174.900 0.240 0.000 1.375 197 G CA 0.127 45.261 45.100 0.057 0.000 0.902 197 G HN 0.582 nan 8.290 nan 0.000 0.538 198 V N 0.409 120.483 119.914 0.266 0.000 2.436 198 V HA 0.168 4.288 4.120 -0.001 0.000 0.240 198 V C 2.763 178.979 176.094 0.203 0.000 1.040 198 V CA 1.820 64.235 62.300 0.192 0.000 1.052 198 V CB -0.007 31.921 31.823 0.173 0.000 0.707 198 V HN 0.810 nan 8.190 nan 0.000 0.469 199 A N 0.749 123.736 122.820 0.277 0.000 2.276 199 A HA 0.231 4.551 4.320 -0.001 0.000 0.212 199 A C 1.100 178.704 177.584 0.034 0.000 1.230 199 A CA 0.480 52.602 52.037 0.140 0.000 0.844 199 A CB -0.530 18.531 19.000 0.101 0.000 0.860 199 A HN 0.568 nan 8.150 nan 0.000 0.486 200 S N -0.993 114.746 115.700 0.065 0.000 2.651 200 S HA 0.542 5.011 4.470 -0.001 0.000 0.291 200 S C -2.154 172.453 174.600 0.012 0.000 1.141 200 S CA -1.384 56.796 58.200 -0.033 0.000 1.027 200 S CB 1.421 64.587 63.200 -0.056 0.000 1.043 200 S HN 0.048 nan 8.310 nan 0.000 0.530 201 P HA 0.006 nan 4.420 nan 0.000 0.215 201 P C 1.374 178.672 177.300 -0.003 0.000 1.157 201 P CA 1.586 64.679 63.100 -0.012 0.000 0.856 201 P CB -0.110 31.572 31.700 -0.031 0.000 0.786 202 T N -4.768 109.783 114.554 -0.005 0.000 3.003 202 T HA 0.084 4.434 4.350 -0.001 0.000 0.261 202 T C 0.104 174.810 174.700 0.009 0.000 1.003 202 T CA -0.411 61.686 62.100 -0.005 0.000 0.917 202 T CB -0.605 68.249 68.868 -0.023 0.000 1.084 202 T HN -0.003 nan 8.240 nan 0.000 0.522 203 D N 2.114 122.534 120.400 0.033 0.000 2.232 203 D HA 0.420 5.059 4.640 -0.001 0.000 0.242 203 D C -3.023 173.317 176.300 0.065 0.000 1.093 203 D CA -2.302 51.728 54.000 0.051 0.000 0.845 203 D CB 1.546 42.391 40.800 0.074 0.000 1.124 203 D HN 0.094 nan 8.370 nan 0.000 0.467 204 P HA -0.018 nan 4.420 nan 0.000 0.270 204 P C 1.151 178.494 177.300 0.072 0.000 1.223 204 P CA -0.547 62.577 63.100 0.039 0.000 0.785 204 P CB 0.962 32.671 31.700 0.015 0.000 0.923 205 V N 1.904 121.849 119.914 0.052 0.000 2.515 205 V HA -0.116 4.004 4.120 -0.001 0.000 0.250 205 V C 2.277 178.445 176.094 0.124 0.000 1.058 205 V CA 2.656 65.004 62.300 0.079 0.000 1.064 205 V CB -1.393 30.389 31.823 -0.068 0.000 0.675 205 V HN 0.833 nan 8.190 nan 0.000 0.461 206 G N -1.050 107.792 108.800 0.071 0.000 2.712 206 G HA2 -0.019 3.941 3.960 -0.001 0.000 0.212 206 G HA3 -0.019 3.941 3.960 -0.001 0.000 0.212 206 G C 0.715 175.676 174.900 0.102 0.000 1.142 206 G CA 0.249 45.399 45.100 0.083 0.000 0.789 206 G HN 0.310 nan 8.290 nan 0.000 0.535 207 V N 1.931 121.896 119.914 0.086 0.000 2.655 207 V HA 0.292 4.411 4.120 -0.001 0.000 0.300 207 V C -0.029 176.206 176.094 0.235 0.000 1.044 207 V CA -1.051 61.287 62.300 0.063 0.000 1.095 207 V CB 0.256 32.102 31.823 0.040 0.000 0.952 207 V HN 0.119 nan 8.190 nan 0.000 0.485 208 F N 4.078 124.049 119.950 0.034 0.000 2.506 208 F HA 0.421 4.947 4.527 -0.000 0.000 0.351 208 F C 1.081 176.893 175.800 0.021 0.000 1.136 208 F CA -0.410 57.612 58.000 0.038 0.000 1.298 208 F CB 0.383 39.405 39.000 0.037 0.000 1.145 208 F HN 0.533 nan 8.300 nan 0.000 0.593 209 G N 2.285 111.206 108.800 0.201 0.000 2.384 209 G HA2 0.474 4.433 3.960 -0.001 0.000 0.316 209 G HA3 0.474 4.433 3.960 -0.001 0.000 0.316 209 G C -1.676 173.288 174.900 0.107 0.000 1.160 209 G CA -0.342 44.783 45.100 0.043 0.000 0.936 209 G HN 0.641 nan 8.290 nan 0.000 0.455 210 Y N -0.023 120.337 120.300 0.099 0.000 2.533 210 Y HA -0.267 4.283 4.550 -0.001 0.000 0.021 210 Y C 1.177 177.115 175.900 0.063 0.000 1.731 210 Y CA 0.174 58.313 58.100 0.065 0.000 1.401 210 Y CB -0.692 37.791 38.460 0.038 0.000 2.048 210 Y HN 1.016 nan 8.280 nan 0.000 0.258 211 S N 1.189 117.049 115.700 0.266 0.000 2.608 211 S HA 0.174 4.644 4.470 -0.001 0.000 0.261 211 S C 0.793 175.450 174.600 0.095 0.000 1.314 211 S CA -0.003 58.289 58.200 0.155 0.000 0.992 211 S CB 1.321 64.594 63.200 0.121 0.000 0.935 211 S HN 0.683 nan 8.310 nan 0.000 0.564 212 E N 0.445 120.677 120.200 0.053 0.000 2.107 212 E HA -0.141 4.208 4.350 -0.001 0.000 0.191 212 E C 1.212 177.815 176.600 0.004 0.000 0.982 212 E CA 1.101 57.510 56.400 0.015 0.000 0.809 212 E CB -0.278 29.427 29.700 0.007 0.000 0.756 212 E HN 0.649 nan 8.360 nan 0.000 0.459 213 D N 1.238 121.646 120.400 0.013 0.000 2.133 213 D HA -0.187 4.453 4.640 -0.001 0.000 0.192 213 D C 1.729 178.009 176.300 -0.033 0.000 1.001 213 D CA 1.288 55.287 54.000 -0.001 0.000 0.844 213 D CB -0.095 40.712 40.800 0.012 0.000 0.944 213 D HN 0.225 nan 8.370 nan 0.000 0.447 214 E N -0.453 119.721 120.200 -0.044 0.000 2.106 214 E HA -0.070 4.280 4.350 -0.001 0.000 0.192 214 E C 2.268 178.740 176.600 -0.214 0.000 0.984 214 E CA 0.463 56.767 56.400 -0.159 0.000 0.806 214 E CB 0.040 29.610 29.700 -0.216 0.000 0.750 214 E HN 0.351 nan 8.360 nan 0.000 0.458 215 I N 0.339 120.835 120.570 -0.123 0.000 2.353 215 I HA -0.187 3.982 4.170 -0.001 0.000 0.248 215 I C 2.348 178.424 176.117 -0.069 0.000 1.119 215 I CA 0.835 62.075 61.300 -0.100 0.000 1.417 215 I CB -0.108 37.873 38.000 -0.031 0.000 1.078 215 I HN -0.041 nan 8.210 nan 0.000 0.421 216 R N 0.737 121.208 120.500 -0.048 0.000 2.115 216 R HA -0.032 4.308 4.340 -0.001 0.000 0.226 216 R C 2.444 178.722 176.300 -0.036 0.000 1.100 216 R CA 1.256 57.339 56.100 -0.029 0.000 0.980 216 R CB -0.278 30.013 30.300 -0.015 0.000 0.875 216 R HN 0.353 nan 8.270 nan 0.000 0.445 217 A N 0.827 123.613 122.820 -0.056 0.000 1.873 217 A HA -0.130 4.190 4.320 -0.001 0.000 0.215 217 A C 2.073 179.617 177.584 -0.067 0.000 1.186 217 A CA 1.147 53.150 52.037 -0.058 0.000 0.616 217 A CB -0.431 18.527 19.000 -0.070 0.000 0.823 217 A HN 0.180 nan 8.150 nan 0.000 0.442 218 I N -0.413 120.097 120.570 -0.100 0.000 2.127 218 I HA -0.242 3.928 4.170 -0.001 0.000 0.241 218 I C 2.418 178.502 176.117 -0.054 0.000 1.075 218 I CA 1.343 62.584 61.300 -0.097 0.000 1.334 218 I CB -0.345 37.568 38.000 -0.145 0.000 1.040 218 I HN 0.165 nan 8.210 nan 0.000 0.405 219 V N 1.049 120.941 119.914 -0.037 0.000 2.252 219 V HA -0.370 3.749 4.120 -0.001 0.000 0.249 219 V C 2.708 178.803 176.094 0.001 0.000 1.056 219 V CA 2.164 64.461 62.300 -0.004 0.000 1.022 219 V CB -1.204 30.625 31.823 0.010 0.000 0.641 219 V HN 0.548 nan 8.190 nan 0.000 0.445 220 A N -0.732 122.084 122.820 -0.006 0.000 1.986 220 A HA -0.240 4.079 4.320 -0.001 0.000 0.220 220 A C 2.199 179.779 177.584 -0.006 0.000 1.171 220 A CA 1.872 53.907 52.037 -0.003 0.000 0.640 220 A CB -0.404 18.592 19.000 -0.007 0.000 0.811 220 A HN 0.565 nan 8.150 nan 0.000 0.451 221 E N -0.161 120.029 120.200 -0.018 0.000 2.028 221 E HA -0.081 4.268 4.350 -0.001 0.000 0.191 221 E C 2.490 179.082 176.600 -0.015 0.000 0.988 221 E CA 1.204 57.592 56.400 -0.020 0.000 0.799 221 E CB -0.849 28.832 29.700 -0.032 0.000 0.755 221 E HN 0.534 nan 8.360 nan 0.000 0.447 222 A N 1.662 124.472 122.820 -0.018 0.000 1.873 222 A HA -0.305 4.014 4.320 -0.001 0.000 0.218 222 A C 2.193 179.784 177.584 0.013 0.000 1.193 222 A CA 2.216 54.244 52.037 -0.016 0.000 0.629 222 A CB -0.790 18.195 19.000 -0.024 0.000 0.826 222 A HN 0.279 nan 8.150 nan 0.000 0.447 223 Q N -1.136 118.681 119.800 0.028 0.000 2.050 223 Q HA -0.106 4.234 4.340 -0.001 0.000 0.202 223 Q C 2.255 178.271 176.000 0.028 0.000 0.980 223 Q CA 1.147 56.975 55.803 0.042 0.000 0.840 223 Q CB -0.585 28.179 28.738 0.042 0.000 0.898 223 Q HN 0.702 nan 8.270 nan 0.000 0.424 224 G N 1.196 110.005 108.800 0.015 0.000 2.562 224 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.223 224 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.223 224 G C 1.383 176.288 174.900 0.008 0.000 1.102 224 G CA 1.009 46.114 45.100 0.009 0.000 0.742 224 G HN 0.209 nan 8.290 nan 0.000 0.587 225 R N -0.202 120.302 120.500 0.008 0.000 2.515 225 R HA 0.370 4.709 4.340 -0.001 0.000 0.294 225 R C 1.447 177.759 176.300 0.020 0.000 1.021 225 R CA 0.689 56.792 56.100 0.006 0.000 1.081 225 R CB -0.355 29.940 30.300 -0.008 0.000 1.263 225 R HN 0.295 nan 8.270 nan 0.000 0.557 226 G N 0.131 108.950 108.800 0.033 0.000 2.179 226 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.257 226 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.257 226 G C 0.124 175.071 174.900 0.078 0.000 1.010 226 G CA 0.878 46.009 45.100 0.051 0.000 0.736 226 G HN 0.470 nan 8.290 nan 0.000 0.513 227 T N -1.320 113.279 114.554 0.075 0.000 2.678 227 T HA 0.798 5.148 4.350 -0.001 0.000 0.260 227 T C -0.505 174.295 174.700 0.167 0.000 0.932 227 T CA 0.239 62.404 62.100 0.108 0.000 1.043 227 T CB 1.171 70.048 68.868 0.014 0.000 1.413 227 T HN 1.200 nan 8.240 nan 0.000 0.568 228 Y N -1.696 118.612 120.300 0.013 0.000 2.689 228 Y HA 0.791 5.340 4.550 -0.001 0.000 0.333 228 Y C -1.769 174.133 175.900 0.003 0.000 1.190 228 Y CA -1.257 56.848 58.100 0.008 0.000 1.063 228 Y CB 0.643 39.107 38.460 0.007 0.000 1.294 228 Y HN 0.314 nan 8.280 nan 0.000 0.466 229 V N 3.486 123.464 119.914 0.106 0.000 2.435 229 V HA 0.512 4.632 4.120 -0.001 0.000 0.290 229 V C -0.154 176.032 176.094 0.153 0.000 1.030 229 V CA -0.810 61.498 62.300 0.013 0.000 0.881 229 V CB 1.173 33.020 31.823 0.041 0.000 0.983 229 V HN 0.798 nan 8.190 nan 0.000 0.445 230 L N 2.660 123.910 121.223 0.046 0.000 2.331 230 L HA 1.065 5.405 4.340 -0.001 0.000 0.275 230 L C -0.139 176.772 176.870 0.068 0.000 1.022 230 L CA -0.567 54.336 54.840 0.105 0.000 0.812 230 L CB 1.763 43.875 42.059 0.088 0.000 1.257 230 L HN 0.617 nan 8.230 nan 0.000 0.435 231 A N 0.663 123.523 122.820 0.066 0.000 2.357 231 A HA 0.388 4.707 4.320 -0.001 0.000 0.295 231 A C -0.946 176.672 177.584 0.056 0.000 1.121 231 A CA -0.528 51.554 52.037 0.075 0.000 0.742 231 A CB 0.326 19.357 19.000 0.051 0.000 1.181 231 A HN 0.959 nan 8.150 nan 0.000 0.454 232 H N 2.333 121.411 119.070 0.013 0.000 3.138 232 H HA 0.472 5.028 4.556 -0.001 0.000 0.275 232 H C 0.027 175.305 175.328 -0.082 0.000 0.997 232 H CA 1.195 57.233 56.048 -0.016 0.000 1.460 232 H CB 0.273 30.085 29.762 0.084 0.000 1.524 232 H HN 0.916 nan 8.280 nan 0.000 0.532 233 A N 4.954 127.490 122.820 -0.473 0.000 2.517 233 A HA 0.333 4.652 4.320 -0.001 0.000 0.297 233 A C -1.292 176.032 177.584 -0.434 0.000 1.050 233 A CA -0.756 51.057 52.037 -0.374 0.000 0.694 233 A CB 0.581 19.500 19.000 -0.135 0.000 1.277 233 A HN 0.704 nan 8.150 nan 0.000 0.400 234 Y N 0.919 121.137 120.300 -0.135 0.000 2.422 234 Y HA 0.136 4.685 4.550 -0.001 0.000 0.291 234 Y C 1.991 177.861 175.900 -0.052 0.000 1.144 234 Y CA 1.388 59.427 58.100 -0.102 0.000 1.208 234 Y CB 0.067 38.459 38.460 -0.114 0.000 1.195 234 Y HN 0.728 nan 8.280 nan 0.000 0.535 235 T N -1.855 112.785 114.554 0.143 0.000 2.918 235 T HA 0.218 4.568 4.350 -0.001 0.000 0.283 235 T C -1.999 172.738 174.700 0.061 0.000 1.001 235 T CA -2.093 60.068 62.100 0.102 0.000 1.041 235 T CB 1.794 70.739 68.868 0.129 0.000 1.028 235 T HN -0.200 nan 8.240 nan 0.000 0.511 236 P HA -0.126 nan 4.420 nan 0.000 0.215 236 P C 1.684 178.997 177.300 0.020 0.000 1.157 236 P CA 1.803 64.918 63.100 0.025 0.000 0.874 236 P CB -0.306 31.411 31.700 0.029 0.000 0.790 237 A N -0.470 122.396 122.820 0.076 0.000 1.933 237 A HA -0.082 4.238 4.320 -0.001 0.000 0.218 237 A C 2.307 179.832 177.584 -0.097 0.000 1.175 237 A CA 2.100 54.188 52.037 0.086 0.000 0.628 237 A CB -1.531 17.659 19.000 0.316 0.000 0.814 237 A HN 0.210 nan 8.150 nan 0.000 0.444 238 A N -0.134 122.655 122.820 -0.051 0.000 1.897 238 A HA 0.035 4.354 4.320 -0.001 0.000 0.215 238 A C 2.087 179.573 177.584 -0.163 0.000 1.181 238 A CA 1.304 53.218 52.037 -0.204 0.000 0.620 238 A CB -0.544 18.460 19.000 0.007 0.000 0.821 238 A HN 0.464 nan 8.150 nan 0.000 0.443 239 I N -0.036 120.480 120.570 -0.090 0.000 2.226 239 I HA -0.271 3.899 4.170 -0.001 0.000 0.245 239 I C 2.947 178.994 176.117 -0.116 0.000 1.100 239 I CA 1.093 62.339 61.300 -0.091 0.000 1.374 239 I CB -0.324 37.638 38.000 -0.064 0.000 1.057 239 I HN 0.341 nan 8.210 nan 0.000 0.413 240 A N 1.784 124.535 122.820 -0.114 0.000 1.902 240 A HA -0.211 4.109 4.320 -0.001 0.000 0.217 240 A C 2.434 179.923 177.584 -0.158 0.000 1.181 240 A CA 1.820 53.780 52.037 -0.128 0.000 0.623 240 A CB -0.646 18.303 19.000 -0.085 0.000 0.818 240 A HN 0.502 nan 8.150 nan 0.000 0.443 241 R N -0.447 119.941 120.500 -0.186 0.000 2.092 241 R HA 0.079 4.418 4.340 -0.001 0.000 0.231 241 R C 2.220 178.430 176.300 -0.151 0.000 1.119 241 R CA 1.362 57.349 56.100 -0.187 0.000 0.970 241 R CB -0.765 29.360 30.300 -0.293 0.000 0.864 241 R HN 0.303 nan 8.270 nan 0.000 0.440 242 A N 1.818 124.550 122.820 -0.147 0.000 1.865 242 A HA -0.098 4.222 4.320 -0.001 0.000 0.217 242 A C 2.497 180.027 177.584 -0.090 0.000 1.191 242 A CA 1.822 53.804 52.037 -0.093 0.000 0.623 242 A CB -0.761 18.196 19.000 -0.071 0.000 0.826 242 A HN 0.163 nan 8.150 nan 0.000 0.444 243 V N 0.197 120.031 119.914 -0.134 0.000 2.287 243 V HA -0.304 3.816 4.120 -0.001 0.000 0.248 243 V C 2.654 178.601 176.094 -0.246 0.000 1.053 243 V CA 2.367 64.552 62.300 -0.192 0.000 1.027 243 V CB -0.865 30.784 31.823 -0.291 0.000 0.646 243 V HN 0.534 nan 8.190 nan 0.000 0.447 244 R N -1.022 119.329 120.500 -0.249 0.000 2.120 244 R HA -0.133 4.206 4.340 -0.001 0.000 0.234 244 R C 2.099 178.381 176.300 -0.031 0.000 1.123 244 R CA 1.625 57.641 56.100 -0.141 0.000 0.975 244 R CB -0.617 29.625 30.300 -0.096 0.000 0.866 244 R HN 0.450 nan 8.270 nan 0.000 0.446 245 C N -0.417 118.856 119.300 -0.045 0.000 2.576 245 C HA 0.201 4.660 4.460 -0.001 0.000 0.267 245 C C 1.561 176.555 174.990 0.006 0.000 1.364 245 C CA 0.659 59.668 59.018 -0.016 0.000 1.723 245 C CB -0.600 27.122 27.740 -0.029 0.000 1.778 245 C HN 0.831 nan 8.230 nan 0.000 0.572 246 G N -0.231 108.579 108.800 0.018 0.000 2.184 246 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.206 246 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.206 246 G C 0.114 175.048 174.900 0.056 0.000 0.995 246 G CA 0.077 45.207 45.100 0.050 0.000 0.651 246 G HN 0.294 nan 8.290 nan 0.000 0.511 247 V N 0.919 120.855 119.914 0.037 0.000 2.694 247 V HA 0.211 4.331 4.120 -0.001 0.000 0.306 247 V C 1.828 177.974 176.094 0.086 0.000 1.054 247 V CA 1.423 63.761 62.300 0.062 0.000 1.161 247 V CB 1.336 33.181 31.823 0.036 0.000 0.916 247 V HN 0.520 nan 8.190 nan 0.000 0.490 248 R N 2.433 123.020 120.500 0.145 0.000 2.105 248 R HA 0.046 4.385 4.340 -0.001 0.000 0.214 248 R C 0.769 177.139 176.300 0.117 0.000 1.091 248 R CA 1.119 57.287 56.100 0.113 0.000 1.007 248 R CB 0.337 30.654 30.300 0.028 0.000 0.912 248 R HN 0.878 nan 8.270 nan 0.000 0.450 249 T N -1.283 113.350 114.554 0.131 0.000 2.893 249 T HA 0.489 4.839 4.350 -0.001 0.000 0.293 249 T C -0.470 174.269 174.700 0.064 0.000 1.027 249 T CA -0.980 61.182 62.100 0.105 0.000 0.988 249 T CB 1.750 70.658 68.868 0.068 0.000 1.043 249 T HN -0.113 nan 8.240 nan 0.000 0.461 250 I N 2.832 123.414 120.570 0.021 0.000 2.377 250 I HA 0.421 4.591 4.170 -0.001 0.000 0.293 250 I C 0.196 176.253 176.117 -0.099 0.000 0.987 250 I CA -0.782 60.495 61.300 -0.038 0.000 1.185 250 I CB 1.648 39.617 38.000 -0.053 0.000 1.341 250 I HN 0.746 nan 8.210 nan 0.000 0.455 251 E N 6.469 126.556 120.200 -0.188 0.000 2.216 251 E HA 0.323 4.672 4.350 -0.001 0.000 0.279 251 E C 0.331 176.555 176.600 -0.626 0.000 0.997 251 E CA -0.307 55.833 56.400 -0.433 0.000 0.817 251 E CB 1.179 30.631 29.700 -0.413 0.000 1.096 251 E HN 0.541 nan 8.360 nan 0.000 0.393 252 H N 2.004 120.970 119.070 -0.174 0.000 2.951 252 H HA -0.265 4.290 4.556 -0.001 0.000 0.089 252 H C 1.095 176.372 175.328 -0.085 0.000 0.614 252 H CA 1.327 57.294 56.048 -0.134 0.000 1.649 252 H CB -1.499 28.087 29.762 -0.294 0.000 1.877 252 H HN 0.852 nan 8.280 nan 0.000 0.918 253 G N 2.018 110.812 108.800 -0.010 0.000 2.225 253 G HA2 -0.374 3.585 3.960 -0.001 0.000 0.267 253 G HA3 -0.374 3.585 3.960 -0.001 0.000 0.267 253 G C 0.724 175.668 174.900 0.073 0.000 1.024 253 G CA 1.187 46.291 45.100 0.006 0.000 0.784 253 G HN 0.653 nan 8.290 nan 0.000 0.507 254 N N -0.225 118.578 118.700 0.172 0.000 2.205 254 N HA -0.041 4.699 4.740 -0.001 0.000 0.186 254 N C 1.819 177.343 175.510 0.024 0.000 1.015 254 N CA 1.341 54.432 53.050 0.068 0.000 0.862 254 N CB -0.140 38.324 38.487 -0.039 0.000 0.986 254 N HN 0.584 nan 8.380 nan 0.000 0.429 255 L N 0.378 121.632 121.223 0.052 0.000 2.791 255 L HA 0.338 4.678 4.340 -0.001 0.000 0.239 255 L C 0.359 177.243 176.870 0.023 0.000 1.203 255 L CA -0.416 54.438 54.840 0.023 0.000 1.002 255 L CB 0.040 42.111 42.059 0.020 0.000 1.295 255 L HN 0.152 nan 8.230 nan 0.000 0.504 256 I N 1.414 121.991 120.570 0.013 0.000 2.813 256 I HA -0.062 4.108 4.170 -0.001 0.000 0.287 256 I C 0.136 176.246 176.117 -0.012 0.000 1.196 256 I CA 0.146 61.443 61.300 -0.005 0.000 1.421 256 I CB 0.684 38.671 38.000 -0.022 0.000 1.365 256 I HN 0.273 nan 8.210 nan 0.000 0.591 257 D N 4.079 124.473 120.400 -0.011 0.000 2.525 257 D HA 0.218 4.858 4.640 -0.001 0.000 0.249 257 D C 0.288 176.576 176.300 -0.021 0.000 1.072 257 D CA -0.496 53.498 54.000 -0.009 0.000 1.067 257 D CB 0.499 41.304 40.800 0.008 0.000 1.282 257 D HN 0.371 nan 8.370 nan 0.000 0.587 258 D N -0.353 120.039 120.400 -0.014 0.000 2.104 258 D HA -0.198 4.442 4.640 -0.001 0.000 0.194 258 D C 1.487 177.779 176.300 -0.013 0.000 0.994 258 D CA 1.392 55.382 54.000 -0.017 0.000 0.830 258 D CB -0.014 40.782 40.800 -0.005 0.000 0.959 258 D HN 0.729 nan 8.370 nan 0.000 0.452 259 E N 0.005 120.202 120.200 -0.006 0.000 2.058 259 E HA -0.161 4.188 4.350 -0.001 0.000 0.194 259 E C 1.727 178.321 176.600 -0.011 0.000 0.997 259 E CA 1.576 57.973 56.400 -0.004 0.000 0.801 259 E CB 0.134 29.835 29.700 0.002 0.000 0.746 259 E HN 0.144 nan 8.360 nan 0.000 0.450 260 T N 0.571 115.116 114.554 -0.016 0.000 2.737 260 T HA -0.060 4.289 4.350 -0.001 0.000 0.265 260 T C 1.922 176.602 174.700 -0.034 0.000 1.038 260 T CA 1.174 63.258 62.100 -0.028 0.000 1.144 260 T CB -0.342 68.510 68.868 -0.026 0.000 0.866 260 T HN 0.342 nan 8.240 nan 0.000 0.434 261 A N 1.812 124.612 122.820 -0.032 0.000 1.986 261 A HA -0.185 4.135 4.320 -0.001 0.000 0.220 261 A C 2.375 179.940 177.584 -0.032 0.000 1.171 261 A CA 1.573 53.588 52.037 -0.038 0.000 0.640 261 A CB -0.465 18.508 19.000 -0.045 0.000 0.811 261 A HN 0.452 nan 8.150 nan 0.000 0.451 262 R N -1.579 118.908 120.500 -0.022 0.000 2.066 262 R HA 0.080 4.420 4.340 -0.001 0.000 0.224 262 R C 2.078 178.380 176.300 0.005 0.000 1.122 262 R CA 0.953 57.046 56.100 -0.012 0.000 0.974 262 R CB -0.584 29.712 30.300 -0.007 0.000 0.871 262 R HN 0.413 nan 8.270 nan 0.000 0.435 263 L N 1.014 122.242 121.223 0.009 0.000 1.997 263 L HA -0.250 4.089 4.340 -0.001 0.000 0.216 263 L C 2.146 179.039 176.870 0.040 0.000 1.074 263 L CA 1.692 56.553 54.840 0.035 0.000 0.763 263 L CB -0.481 41.557 42.059 -0.034 0.000 0.890 263 L HN -0.029 nan 8.230 nan 0.000 0.434 264 V N -0.377 119.523 119.914 -0.025 0.000 2.282 264 V HA -0.376 3.744 4.120 -0.001 0.000 0.249 264 V C 2.685 178.767 176.094 -0.019 0.000 1.057 264 V CA 1.967 64.246 62.300 -0.034 0.000 1.032 264 V CB -1.251 30.541 31.823 -0.051 0.000 0.645 264 V HN 0.645 nan 8.190 nan 0.000 0.447 265 A N -0.921 121.881 122.820 -0.029 0.000 1.929 265 A HA -0.191 4.128 4.320 -0.001 0.000 0.216 265 A C 2.152 179.717 177.584 -0.032 0.000 1.176 265 A CA 1.555 53.559 52.037 -0.055 0.000 0.628 265 A CB -0.428 18.539 19.000 -0.054 0.000 0.816 265 A HN 0.622 nan 8.150 nan 0.000 0.444 266 E N -0.981 119.228 120.200 0.015 0.000 2.153 266 E HA -0.176 4.174 4.350 -0.001 0.000 0.194 266 E C 1.597 178.186 176.600 -0.018 0.000 0.988 266 E CA 1.054 57.458 56.400 0.007 0.000 0.811 266 E CB -0.225 29.501 29.700 0.043 0.000 0.746 266 E HN 0.737 nan 8.360 nan 0.000 0.466 267 H N -1.227 117.807 119.070 -0.061 0.000 2.551 267 H HA 0.067 4.623 4.556 -0.001 0.000 0.266 267 H C 1.276 176.561 175.328 -0.072 0.000 0.964 267 H CA 0.671 56.687 56.048 -0.054 0.000 1.180 267 H CB 0.947 30.684 29.762 -0.041 0.000 1.408 267 H HN 0.361 nan 8.280 nan 0.000 0.563 268 G N 0.809 109.597 108.800 -0.019 0.000 2.157 268 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.248 268 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.248 268 G C 0.514 175.291 174.900 -0.204 0.000 0.979 268 G CA 0.277 45.300 45.100 -0.129 0.000 0.650 268 G HN 0.634 nan 8.290 nan 0.000 0.529 269 A N -0.586 122.176 122.820 -0.096 0.000 2.366 269 A HA 0.689 5.008 4.320 -0.001 0.000 0.249 269 A C 0.054 177.532 177.584 -0.177 0.000 1.084 269 A CA 0.064 52.075 52.037 -0.044 0.000 0.794 269 A CB 0.351 19.357 19.000 0.010 0.000 1.034 269 A HN 0.739 nan 8.150 nan 0.000 0.491 270 Y N -0.354 119.911 120.300 -0.058 0.000 2.496 270 Y HA 0.537 5.087 4.550 -0.001 0.000 0.331 270 Y C 0.163 176.031 175.900 -0.053 0.000 1.140 270 Y CA -1.000 57.066 58.100 -0.057 0.000 1.166 270 Y CB 1.785 40.201 38.460 -0.074 0.000 1.249 270 Y HN 0.358 nan 8.280 nan 0.000 0.479 271 V N 2.417 122.392 119.914 0.103 0.000 2.604 271 V HA 0.378 4.498 4.120 -0.001 0.000 0.305 271 V C -0.775 175.331 176.094 0.021 0.000 1.043 271 V CA -0.946 61.372 62.300 0.030 0.000 0.888 271 V CB 1.756 33.575 31.823 -0.006 0.000 0.995 271 V HN 0.529 nan 8.190 nan 0.000 0.429 272 V N 6.511 126.407 119.914 -0.029 0.000 2.266 272 V HA 0.319 4.438 4.120 -0.001 0.000 0.271 272 V C -2.284 173.745 176.094 -0.109 0.000 1.032 272 V CA -1.768 60.497 62.300 -0.059 0.000 0.806 272 V CB 1.124 32.913 31.823 -0.057 0.000 1.052 272 V HN 0.720 nan 8.190 nan 0.000 0.449 273 P HA 0.204 nan 4.420 nan 0.000 0.269 273 P C 0.183 177.432 177.300 -0.085 0.000 1.209 273 P CA 0.227 63.309 63.100 -0.030 0.000 0.776 273 P CB 0.575 32.269 31.700 -0.009 0.000 0.876 274 T N -0.893 113.681 114.554 0.035 0.000 3.542 274 T HA 0.336 4.686 4.350 -0.001 0.000 0.276 274 T C 0.939 175.655 174.700 0.026 0.000 1.412 274 T CA -0.509 61.550 62.100 -0.068 0.000 1.664 274 T CB -0.937 67.864 68.868 -0.113 0.000 0.863 274 T HN 0.079 nan 8.240 nan 0.000 0.661 275 L N 1.055 122.307 121.223 0.049 0.000 2.072 275 L HA -0.060 4.279 4.340 -0.001 0.000 0.205 275 L C 2.932 179.873 176.870 0.119 0.000 1.079 275 L CA 1.134 56.087 54.840 0.189 0.000 0.752 275 L CB -0.717 41.420 42.059 0.129 0.000 0.906 275 L HN 0.519 nan 8.230 nan 0.000 0.436 276 V N -3.219 116.691 119.914 -0.008 0.000 2.278 276 V HA -0.368 3.752 4.120 -0.001 0.000 0.251 276 V C 2.463 178.513 176.094 -0.072 0.000 1.062 276 V CA 2.547 64.839 62.300 -0.014 0.000 1.038 276 V CB -1.618 30.179 31.823 -0.042 0.000 0.646 276 V HN 0.490 nan 8.190 nan 0.000 0.447 277 T N -0.287 114.135 114.554 -0.220 0.000 2.685 277 T HA -0.258 4.091 4.350 -0.001 0.000 0.268 277 T C 1.698 176.203 174.700 -0.325 0.000 1.034 277 T CA 2.623 64.532 62.100 -0.318 0.000 1.149 277 T CB -0.462 68.114 68.868 -0.486 0.000 0.860 277 T HN 0.701 nan 8.240 nan 0.000 0.449 278 Y N 1.456 121.707 120.300 -0.082 0.000 2.163 278 Y HA 0.005 4.554 4.550 -0.001 0.000 0.288 278 Y C 2.574 178.185 175.900 -0.481 0.000 1.136 278 Y CA 0.978 58.925 58.100 -0.257 0.000 1.147 278 Y CB -0.853 37.489 38.460 -0.195 0.000 0.987 278 Y HN 0.209 nan 8.280 nan 0.000 0.509 279 D N 0.145 120.494 120.400 -0.085 0.000 2.154 279 D HA -0.272 4.368 4.640 -0.001 0.000 0.190 279 D C 2.272 178.562 176.300 -0.016 0.000 1.003 279 D CA 1.904 55.920 54.000 0.026 0.000 0.849 279 D CB -0.625 40.265 40.800 0.150 0.000 0.942 279 D HN 0.353 nan 8.370 nan 0.000 0.446 280 A N 0.173 122.997 122.820 0.006 0.000 1.898 280 A HA -0.086 4.233 4.320 -0.001 0.000 0.216 280 A C 2.417 180.046 177.584 0.076 0.000 1.181 280 A CA 0.901 52.979 52.037 0.067 0.000 0.620 280 A CB -0.785 18.276 19.000 0.101 0.000 0.819 280 A HN 0.238 nan 8.150 nan 0.000 0.442 281 L N -0.739 120.514 121.223 0.051 0.000 2.187 281 L HA -0.208 4.132 4.340 -0.001 0.000 0.213 281 L C 2.905 179.746 176.870 -0.049 0.000 1.100 281 L CA 1.086 55.956 54.840 0.051 0.000 0.765 281 L CB -0.391 41.699 42.059 0.053 0.000 0.904 281 L HN 0.442 nan 8.230 nan 0.000 0.437 282 A N -1.422 121.353 122.820 -0.076 0.000 1.975 282 A HA -0.063 4.257 4.320 -0.001 0.000 0.215 282 A C 2.475 180.042 177.584 -0.028 0.000 1.170 282 A CA 1.306 53.308 52.037 -0.059 0.000 0.656 282 A CB -0.259 18.700 19.000 -0.068 0.000 0.821 282 A HN 0.296 nan 8.150 nan 0.000 0.449 283 S N -0.036 115.659 115.700 -0.010 0.000 2.357 283 S HA -0.095 4.375 4.470 -0.001 0.000 0.221 283 S C 1.362 175.941 174.600 -0.035 0.000 1.031 283 S CA 1.401 59.603 58.200 0.005 0.000 0.982 283 S CB -0.126 63.101 63.200 0.045 0.000 0.853 283 S HN 0.867 nan 8.310 nan 0.000 0.458 284 E N -0.185 119.978 120.200 -0.061 0.000 2.921 284 E HA 0.306 4.656 4.350 -0.001 0.000 0.203 284 E C 1.178 177.567 176.600 -0.352 0.000 0.975 284 E CA 0.120 56.451 56.400 -0.115 0.000 1.225 284 E CB -0.019 29.758 29.700 0.129 0.000 1.048 284 E HN 0.299 nan 8.360 nan 0.000 0.477 285 G N 2.128 110.703 108.800 -0.375 0.000 2.424 285 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.214 285 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.214 285 G C 1.418 176.094 174.900 -0.373 0.000 1.202 285 G CA 1.021 45.806 45.100 -0.526 0.000 0.793 285 G HN 0.309 nan 8.290 nan 0.000 0.534 286 E N 0.710 120.775 120.200 -0.224 0.000 2.049 286 E HA -0.214 4.136 4.350 -0.001 0.000 0.198 286 E C 2.279 178.757 176.600 -0.204 0.000 1.007 286 E CA 1.849 58.149 56.400 -0.166 0.000 0.809 286 E CB -0.283 29.343 29.700 -0.122 0.000 0.749 286 E HN 0.464 nan 8.360 nan 0.000 0.450 287 K N -1.119 119.113 120.400 -0.281 0.000 2.211 287 K HA -0.176 4.143 4.320 -0.001 0.000 0.204 287 K C 0.303 176.602 176.600 -0.500 0.000 1.047 287 K CA 1.206 57.252 56.287 -0.402 0.000 0.935 287 K CB -0.092 32.095 32.500 -0.522 0.000 0.728 287 K HN 0.264 nan 8.250 nan 0.000 0.452 288 Y N 0.047 120.206 120.300 -0.236 0.000 2.774 288 Y HA 0.288 4.837 4.550 -0.001 0.000 0.305 288 Y C 0.704 176.557 175.900 -0.078 0.000 1.067 288 Y CA -0.260 57.750 58.100 -0.150 0.000 1.304 288 Y CB 0.878 39.250 38.460 -0.147 0.000 1.209 288 Y HN 0.257 nan 8.280 nan 0.000 0.543 289 G N 0.882 109.691 108.800 0.016 0.000 2.221 289 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.265 289 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.265 289 G C -0.175 174.759 174.900 0.056 0.000 1.041 289 G CA 0.082 45.207 45.100 0.042 0.000 0.807 289 G HN 0.363 nan 8.290 nan 0.000 0.502 290 L N 1.193 122.417 121.223 0.000 0.000 2.360 290 L HA 0.609 4.949 4.340 -0.001 0.000 0.276 290 L C -1.612 175.264 176.870 0.010 0.000 1.121 290 L CA -1.839 53.022 54.840 0.036 0.000 0.845 290 L CB 0.433 42.483 42.059 -0.015 0.000 1.143 290 L HN -0.050 nan 8.230 nan 0.000 0.452 291 P HA 0.068 nan 4.420 nan 0.000 0.264 291 P C -2.171 175.131 177.300 0.003 0.000 1.183 291 P CA -0.867 62.240 63.100 0.012 0.000 0.763 291 P CB 0.013 31.722 31.700 0.015 0.000 0.807 292 P HA -0.135 nan 4.420 nan 0.000 0.234 292 P C 0.810 178.107 177.300 -0.004 0.000 1.167 292 P CA 1.238 64.332 63.100 -0.010 0.000 0.763 292 P CB 0.211 31.903 31.700 -0.013 0.000 0.835 293 E N 0.261 120.462 120.200 0.001 0.000 2.072 293 E HA -0.060 4.289 4.350 -0.001 0.000 0.190 293 E C 2.091 178.699 176.600 0.013 0.000 0.982 293 E CA 1.118 57.521 56.400 0.004 0.000 0.803 293 E CB -0.701 29.002 29.700 0.004 0.000 0.755 293 E HN 0.298 nan 8.360 nan 0.000 0.453 294 S N 1.302 117.015 115.700 0.022 0.000 2.371 294 S HA -0.019 4.450 4.470 -0.001 0.000 0.224 294 S C 2.234 176.851 174.600 0.029 0.000 1.029 294 S CA 0.493 58.717 58.200 0.040 0.000 0.978 294 S CB -0.216 63.018 63.200 0.057 0.000 0.833 294 S HN 0.153 nan 8.310 nan 0.000 0.466 295 I N 2.203 122.780 120.570 0.012 0.000 2.194 295 I HA -0.279 3.890 4.170 -0.001 0.000 0.246 295 I C 2.732 178.847 176.117 -0.003 0.000 1.093 295 I CA 1.191 62.490 61.300 -0.002 0.000 1.355 295 I CB -0.522 37.467 38.000 -0.019 0.000 1.046 295 I HN 0.282 nan 8.210 nan 0.000 0.413 296 A N 0.561 123.379 122.820 -0.004 0.000 1.978 296 A HA -0.229 4.091 4.320 -0.001 0.000 0.220 296 A C 2.186 179.763 177.584 -0.012 0.000 1.170 296 A CA 1.662 53.695 52.037 -0.008 0.000 0.636 296 A CB -0.430 18.566 19.000 -0.007 0.000 0.810 296 A HN 0.402 nan 8.150 nan 0.000 0.448 297 K N -0.626 119.770 120.400 -0.007 0.000 2.444 297 K HA 0.259 4.579 4.320 -0.001 0.000 0.193 297 K C 1.271 177.842 176.600 -0.048 0.000 1.024 297 K CA 0.198 56.471 56.287 -0.023 0.000 1.077 297 K CB -0.031 32.469 32.500 0.001 0.000 0.833 297 K HN 0.553 nan 8.250 nan 0.000 0.517 298 I N 0.792 121.349 120.570 -0.022 0.000 2.286 298 I HA -0.196 3.973 4.170 -0.001 0.000 0.245 298 I C 2.440 178.541 176.117 -0.026 0.000 1.104 298 I CA 0.867 62.157 61.300 -0.018 0.000 1.397 298 I CB -0.342 37.658 38.000 0.001 0.000 1.072 298 I HN 0.091 nan 8.210 nan 0.000 0.417 299 A N 0.969 123.784 122.820 -0.008 0.000 1.933 299 A HA -0.211 4.108 4.320 -0.001 0.000 0.218 299 A C 1.855 179.409 177.584 -0.050 0.000 1.175 299 A CA 1.825 53.864 52.037 0.004 0.000 0.628 299 A CB -0.571 18.430 19.000 0.000 0.000 0.814 299 A HN 0.423 nan 8.150 nan 0.000 0.444 300 D N -0.598 119.748 120.400 -0.090 0.000 2.263 300 D HA -0.063 4.576 4.640 -0.001 0.000 0.208 300 D C 1.537 177.720 176.300 -0.195 0.000 0.971 300 D CA 1.289 55.215 54.000 -0.123 0.000 0.867 300 D CB 0.006 40.728 40.800 -0.130 0.000 0.929 300 D HN 0.315 nan 8.370 nan 0.000 0.492 301 V N -0.514 119.240 119.914 -0.266 0.000 3.484 301 V HA -0.051 4.069 4.120 -0.001 0.000 0.252 301 V C 1.973 177.859 176.094 -0.346 0.000 1.282 301 V CA 0.021 62.060 62.300 -0.434 0.000 1.104 301 V CB 0.408 31.733 31.823 -0.830 0.000 0.868 301 V HN 0.242 nan 8.190 nan 0.000 0.457 302 H N 0.627 119.505 119.070 -0.320 0.000 2.357 302 H HA -0.116 4.439 4.556 -0.001 0.000 0.301 302 H C 2.191 177.442 175.328 -0.128 0.000 1.082 302 H CA 1.406 57.327 56.048 -0.212 0.000 1.342 302 H CB 0.073 29.790 29.762 -0.076 0.000 1.389 302 H HN 0.459 nan 8.280 nan 0.000 0.511 303 G N 0.325 109.030 108.800 -0.158 0.000 2.476 303 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.218 303 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.218 303 G C 1.783 176.612 174.900 -0.120 0.000 1.164 303 G CA 0.885 45.877 45.100 -0.180 0.000 0.768 303 G HN 0.525 nan 8.290 nan 0.000 0.560 304 A N 0.753 123.520 122.820 -0.089 0.000 2.168 304 A HA 0.279 4.599 4.320 -0.001 0.000 0.215 304 A C 2.586 180.162 177.584 -0.013 0.000 1.152 304 A CA 1.620 53.637 52.037 -0.033 0.000 0.716 304 A CB -0.834 18.147 19.000 -0.033 0.000 0.794 304 A HN 0.560 nan 8.150 nan 0.000 0.465 305 G N 0.559 109.333 108.800 -0.043 0.000 2.599 305 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.219 305 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.219 305 G C 1.518 176.437 174.900 0.032 0.000 1.193 305 G CA 1.348 46.449 45.100 0.001 0.000 0.778 305 G HN 0.458 nan 8.290 nan 0.000 0.589 306 L N -0.871 120.374 121.223 0.037 0.000 2.056 306 L HA -0.031 4.309 4.340 -0.001 0.000 0.207 306 L C 2.666 179.583 176.870 0.079 0.000 1.078 306 L CA 1.418 56.291 54.840 0.055 0.000 0.749 306 L CB -0.375 41.713 42.059 0.048 0.000 0.901 306 L HN 0.359 nan 8.230 nan 0.000 0.433 307 H N -0.367 118.695 119.070 -0.013 0.000 2.462 307 H HA -0.126 4.429 4.556 -0.001 0.000 0.292 307 H C 2.394 177.719 175.328 -0.006 0.000 1.049 307 H CA 1.199 57.241 56.048 -0.011 0.000 1.334 307 H CB 0.087 29.838 29.762 -0.019 0.000 1.404 307 H HN 0.342 nan 8.280 nan 0.000 0.544 308 S N 0.045 115.700 115.700 -0.074 0.000 2.400 308 S HA -0.135 4.335 4.470 -0.001 0.000 0.232 308 S C 2.039 176.575 174.600 -0.106 0.000 1.025 308 S CA 1.266 59.401 58.200 -0.109 0.000 0.993 308 S CB -0.436 62.746 63.200 -0.031 0.000 0.808 308 S HN 0.366 nan 8.310 nan 0.000 0.478 309 I N 2.366 122.899 120.570 -0.063 0.000 2.315 309 I HA -0.080 4.089 4.170 -0.001 0.000 0.248 309 I C 2.628 178.706 176.117 -0.066 0.000 1.117 309 I CA 1.235 62.511 61.300 -0.039 0.000 1.404 309 I CB -1.567 36.434 38.000 0.002 0.000 1.071 309 I HN 0.473 nan 8.210 nan 0.000 0.419 310 E N 0.986 121.123 120.200 -0.105 0.000 2.047 310 E HA -0.146 4.203 4.350 -0.001 0.000 0.191 310 E C 2.394 178.901 176.600 -0.155 0.000 0.987 310 E CA 0.988 57.327 56.400 -0.101 0.000 0.799 310 E CB -0.046 29.619 29.700 -0.057 0.000 0.752 310 E HN 0.401 nan 8.360 nan 0.000 0.449 311 I N 0.885 121.281 120.570 -0.290 0.000 2.151 311 I HA -0.344 3.826 4.170 -0.001 0.000 0.243 311 I C 2.592 178.640 176.117 -0.116 0.000 1.080 311 I CA 1.413 62.579 61.300 -0.223 0.000 1.339 311 I CB -0.371 37.472 38.000 -0.263 0.000 1.039 311 I HN 0.210 nan 8.210 nan 0.000 0.409 312 M N 0.099 119.640 119.600 -0.098 0.000 2.099 312 M HA -0.220 4.259 4.480 -0.001 0.000 0.262 312 M C 2.447 178.719 176.300 -0.047 0.000 1.067 312 M CA 1.684 56.947 55.300 -0.061 0.000 1.124 312 M CB -0.417 32.156 32.600 -0.046 0.000 1.353 312 M HN 0.130 nan 8.290 nan 0.000 0.410 313 K N 0.524 120.899 120.400 -0.041 0.000 2.057 313 K HA -0.209 4.110 4.320 -0.001 0.000 0.207 313 K C 2.110 178.693 176.600 -0.028 0.000 1.049 313 K CA 1.392 57.664 56.287 -0.026 0.000 0.931 313 K CB -0.150 32.343 32.500 -0.013 0.000 0.714 313 K HN 0.200 nan 8.250 nan 0.000 0.440 314 R N 0.116 120.595 120.500 -0.035 0.000 2.091 314 R HA -0.138 4.202 4.340 -0.001 0.000 0.238 314 R C 1.831 178.115 176.300 -0.028 0.000 1.136 314 R CA 1.614 57.697 56.100 -0.028 0.000 0.959 314 R CB -0.241 30.041 30.300 -0.031 0.000 0.856 314 R HN 0.255 nan 8.270 nan 0.000 0.437 315 A N -0.685 122.114 122.820 -0.035 0.000 2.178 315 A HA 0.212 4.532 4.320 -0.001 0.000 0.211 315 A C 1.390 178.953 177.584 -0.036 0.000 1.157 315 A CA 0.784 52.801 52.037 -0.033 0.000 0.780 315 A CB -0.012 18.966 19.000 -0.036 0.000 0.828 315 A HN 0.604 nan 8.150 nan 0.000 0.476 316 G N -1.173 107.605 108.800 -0.036 0.000 2.136 316 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.242 316 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.242 316 G C 0.200 175.067 174.900 -0.055 0.000 0.989 316 G CA 0.072 45.148 45.100 -0.040 0.000 0.682 316 G HN 0.774 nan 8.290 nan 0.000 0.522 317 V N 0.886 120.767 119.914 -0.055 0.000 2.557 317 V HA 0.100 4.219 4.120 -0.001 0.000 0.301 317 V C 1.200 177.255 176.094 -0.065 0.000 1.026 317 V CA 0.640 62.898 62.300 -0.070 0.000 1.137 317 V CB 0.792 32.583 31.823 -0.054 0.000 0.917 317 V HN 0.383 nan 8.190 nan 0.000 0.484 318 K N 6.299 126.631 120.400 -0.113 0.000 2.336 318 K HA 0.322 4.642 4.320 -0.001 0.000 0.290 318 K C -0.289 176.334 176.600 0.037 0.000 1.067 318 K CA 0.256 56.504 56.287 -0.066 0.000 0.962 318 K CB 0.272 32.648 32.500 -0.207 0.000 1.008 318 K HN 0.581 nan 8.250 nan 0.000 0.467 319 M N 1.954 121.590 119.600 0.060 0.000 2.238 319 M HA 0.254 4.733 4.480 -0.001 0.000 0.350 319 M C 0.592 176.958 176.300 0.109 0.000 1.138 319 M CA -0.465 54.880 55.300 0.075 0.000 1.040 319 M CB 1.808 34.435 32.600 0.046 0.000 1.639 319 M HN 0.679 nan 8.290 nan 0.000 0.451 320 G N 1.597 110.459 108.800 0.103 0.000 2.521 320 G HA2 0.594 4.553 3.960 -0.001 0.000 0.323 320 G HA3 0.594 4.553 3.960 -0.001 0.000 0.323 320 G C -1.698 173.266 174.900 0.107 0.000 1.211 320 G CA -0.483 44.677 45.100 0.100 0.000 0.979 320 G HN 0.590 nan 8.290 nan 0.000 0.490 321 F N 0.231 120.165 119.950 -0.026 0.000 2.394 321 F HA 0.666 5.193 4.527 -0.001 0.000 0.340 321 F C 0.468 176.221 175.800 -0.079 0.000 1.105 321 F CA 0.205 58.169 58.000 -0.059 0.000 1.124 321 F CB 1.641 40.607 39.000 -0.057 0.000 1.145 321 F HN 0.689 nan 8.300 nan 0.000 0.505 322 G N 2.092 110.454 108.800 -0.729 0.000 2.646 322 G HA2 0.429 4.388 3.960 -0.001 0.000 0.291 322 G HA3 0.429 4.388 3.960 -0.001 0.000 0.291 322 G C -0.610 173.915 174.900 -0.624 0.000 1.445 322 G CA -0.140 44.665 45.100 -0.491 0.000 0.814 322 G HN 0.828 nan 8.290 nan 0.000 0.495 323 T N -3.250 111.070 114.554 -0.390 0.000 3.250 323 T HA 0.262 4.611 4.350 -0.001 0.000 0.265 323 T C 0.679 175.249 174.700 -0.217 0.000 0.973 323 T CA 1.397 63.297 62.100 -0.333 0.000 1.040 323 T CB 0.195 68.877 68.868 -0.310 0.000 1.167 323 T HN 1.154 nan 8.240 nan 0.000 0.471 324 D N 0.754 121.091 120.400 -0.104 0.000 2.746 324 D HA -0.110 4.529 4.640 -0.001 0.000 0.236 324 D C -0.710 175.575 176.300 -0.026 0.000 1.129 324 D CA 0.247 54.271 54.000 0.040 0.000 0.691 324 D CB -1.952 38.788 40.800 -0.100 0.000 1.077 324 D HN 0.652 nan 8.370 nan 0.000 0.432 325 L N 0.158 121.337 121.223 -0.073 0.000 2.350 325 L HA 0.486 4.825 4.340 -0.001 0.000 0.275 325 L C 0.780 177.546 176.870 -0.173 0.000 1.099 325 L CA -0.687 54.075 54.840 -0.130 0.000 0.808 325 L CB 0.945 42.928 42.059 -0.127 0.000 1.149 325 L HN 0.051 nan 8.230 nan 0.000 0.442 326 L N 1.778 122.800 121.223 -0.336 0.000 2.334 326 L HA 0.662 5.001 4.340 -0.001 0.000 0.273 326 L C 0.909 177.277 176.870 -0.837 0.000 1.013 326 L CA -0.504 54.008 54.840 -0.547 0.000 0.816 326 L CB 1.465 43.134 42.059 -0.652 0.000 1.278 326 L HN 0.860 nan 8.230 nan 0.000 0.431 327 G N 1.842 110.273 108.800 -0.615 0.000 2.594 327 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.297 327 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.297 327 G C 0.846 175.538 174.900 -0.347 0.000 1.273 327 G CA 0.478 45.274 45.100 -0.506 0.000 0.974 327 G HN 0.849 nan 8.290 nan 0.000 0.552 328 E N 0.432 120.461 120.200 -0.285 0.000 2.219 328 E HA -0.130 4.220 4.350 -0.001 0.000 0.198 328 E C 2.609 179.137 176.600 -0.119 0.000 0.998 328 E CA 2.080 58.345 56.400 -0.225 0.000 0.818 328 E CB -0.923 28.514 29.700 -0.439 0.000 0.741 328 E HN 1.369 nan 8.360 nan 0.000 0.477 329 A N 1.606 124.376 122.820 -0.085 0.000 2.178 329 A HA -0.165 4.155 4.320 -0.001 0.000 0.218 329 A C 2.115 179.662 177.584 -0.062 0.000 1.157 329 A CA 0.854 52.894 52.037 0.006 0.000 0.689 329 A CB -0.379 18.691 19.000 0.118 0.000 0.787 329 A HN 0.146 nan 8.150 nan 0.000 0.465 330 Q N 0.070 119.796 119.800 -0.123 0.000 2.248 330 Q HA -0.250 4.090 4.340 -0.001 0.000 0.208 330 Q C 2.090 178.064 176.000 -0.044 0.000 0.984 330 Q CA 1.698 57.440 55.803 -0.101 0.000 0.875 330 Q CB -0.374 28.294 28.738 -0.117 0.000 0.910 330 Q HN 0.955 nan 8.270 nan 0.000 0.433 331 R N 0.404 120.894 120.500 -0.018 0.000 2.237 331 R HA -0.065 4.275 4.340 -0.001 0.000 0.219 331 R C 1.512 177.844 176.300 0.054 0.000 1.080 331 R CA 0.814 56.927 56.100 0.023 0.000 0.995 331 R CB -0.380 29.936 30.300 0.027 0.000 0.875 331 R HN 0.208 nan 8.270 nan 0.000 0.462 332 L N 1.072 122.322 121.223 0.045 0.000 2.627 332 L HA 0.103 4.442 4.340 -0.001 0.000 0.232 332 L C 2.340 179.263 176.870 0.087 0.000 1.150 332 L CA 0.046 54.929 54.840 0.071 0.000 0.917 332 L CB -0.243 41.852 42.059 0.060 0.000 1.104 332 L HN 0.293 nan 8.230 nan 0.000 0.445 333 Q N 0.452 120.301 119.800 0.081 0.000 2.096 333 Q HA -0.245 4.094 4.340 -0.001 0.000 0.208 333 Q C 2.113 178.265 176.000 0.254 0.000 0.993 333 Q CA 2.326 58.178 55.803 0.081 0.000 0.862 333 Q CB 0.086 28.837 28.738 0.022 0.000 0.915 333 Q HN 0.480 nan 8.270 nan 0.000 0.416 334 S N 0.786 116.714 115.700 0.379 0.000 2.447 334 S HA -0.109 4.360 4.470 -0.001 0.000 0.233 334 S C 1.101 175.986 174.600 0.475 0.000 1.006 334 S CA 0.900 59.437 58.200 0.562 0.000 0.957 334 S CB -0.167 63.312 63.200 0.465 0.000 0.773 334 S HN 0.399 nan 8.310 nan 0.000 0.507 335 D N 1.541 122.112 120.400 0.284 0.000 2.182 335 D HA -0.133 4.507 4.640 -0.001 0.000 0.201 335 D C 1.905 178.334 176.300 0.215 0.000 0.986 335 D CA 0.940 55.073 54.000 0.222 0.000 0.847 335 D CB -0.280 40.607 40.800 0.145 0.000 0.942 335 D HN 0.390 nan 8.370 nan 0.000 0.467 336 E N -0.237 120.060 120.200 0.162 0.000 2.130 336 E HA -0.195 4.155 4.350 -0.001 0.000 0.196 336 E C 1.772 178.498 176.600 0.211 0.000 0.998 336 E CA 0.948 57.379 56.400 0.053 0.000 0.806 336 E CB -0.411 29.120 29.700 -0.282 0.000 0.738 336 E HN 0.242 nan 8.360 nan 0.000 0.459 337 F N 0.511 120.716 119.950 0.425 0.000 2.095 337 F HA -0.151 4.376 4.527 -0.001 0.000 0.298 337 F C 2.627 178.537 175.800 0.183 0.000 1.104 337 F CA 1.859 60.045 58.000 0.309 0.000 1.232 337 F CB -0.627 38.475 39.000 0.172 0.000 0.987 337 F HN 0.044 nan 8.300 nan 0.000 0.475 338 R N 0.906 121.615 120.500 0.349 0.000 2.075 338 R HA -0.154 4.186 4.340 -0.001 0.000 0.230 338 R C 2.337 178.739 176.300 0.170 0.000 1.140 338 R CA 1.986 58.215 56.100 0.216 0.000 0.928 338 R CB -0.711 29.696 30.300 0.178 0.000 0.834 338 R HN 0.238 nan 8.270 nan 0.000 0.429 339 I N 1.344 122.006 120.570 0.152 0.000 2.182 339 I HA -0.385 3.784 4.170 -0.001 0.000 0.248 339 I C 2.264 178.449 176.117 0.113 0.000 1.073 339 I CA 1.570 62.940 61.300 0.117 0.000 1.335 339 I CB -0.376 37.686 38.000 0.103 0.000 1.031 339 I HN 0.335 nan 8.210 nan 0.000 0.420 340 L N 0.227 121.533 121.223 0.138 0.000 2.156 340 L HA -0.078 4.262 4.340 -0.001 0.000 0.208 340 L C 2.658 179.602 176.870 0.123 0.000 1.095 340 L CA 0.909 55.826 54.840 0.129 0.000 0.770 340 L CB -0.591 41.567 42.059 0.165 0.000 0.914 340 L HN 0.212 nan 8.230 nan 0.000 0.439 341 A N -0.193 122.710 122.820 0.138 0.000 2.209 341 A HA -0.121 4.199 4.320 -0.001 0.000 0.212 341 A C 1.949 179.582 177.584 0.082 0.000 1.158 341 A CA 0.815 52.918 52.037 0.110 0.000 0.742 341 A CB -0.378 18.690 19.000 0.114 0.000 0.790 341 A HN 0.458 nan 8.150 nan 0.000 0.472 342 E N -0.896 119.352 120.200 0.080 0.000 2.427 342 E HA 0.007 4.357 4.350 -0.001 0.000 0.196 342 E C 1.031 177.664 176.600 0.056 0.000 1.028 342 E CA 0.895 57.333 56.400 0.063 0.000 0.864 342 E CB 0.164 29.902 29.700 0.063 0.000 0.813 342 E HN 0.473 nan 8.360 nan 0.000 0.514 343 V N 0.010 119.960 119.914 0.060 0.000 3.229 343 V HA 0.112 4.231 4.120 -0.001 0.000 0.239 343 V C 0.461 176.585 176.094 0.049 0.000 1.390 343 V CA 0.097 62.428 62.300 0.052 0.000 1.231 343 V CB 0.582 32.436 31.823 0.051 0.000 1.025 343 V HN 0.045 nan 8.190 nan 0.000 0.461 344 L N 1.157 122.415 121.223 0.059 0.000 2.344 344 L HA 0.571 4.910 4.340 -0.001 0.000 0.272 344 L C 0.538 177.443 176.870 0.059 0.000 1.035 344 L CA -0.323 54.551 54.840 0.057 0.000 0.807 344 L CB 1.642 43.743 42.059 0.070 0.000 1.237 344 L HN 0.298 nan 8.230 nan 0.000 0.442 345 S N 0.906 116.634 115.700 0.047 0.000 2.576 345 S HA 0.208 4.677 4.470 -0.001 0.000 0.276 345 S C -1.854 172.775 174.600 0.049 0.000 1.339 345 S CA -0.980 57.244 58.200 0.040 0.000 1.039 345 S CB 1.138 64.355 63.200 0.027 0.000 0.902 345 S HN 0.404 nan 8.310 nan 0.000 0.516 346 P HA -0.229 nan 4.420 nan 0.000 0.217 346 P C 1.641 178.961 177.300 0.032 0.000 1.158 346 P CA 2.452 65.574 63.100 0.037 0.000 0.887 346 P CB -0.280 31.425 31.700 0.009 0.000 0.792 347 A N -0.485 122.347 122.820 0.019 0.000 1.908 347 A HA -0.277 4.043 4.320 -0.001 0.000 0.218 347 A C 2.194 179.795 177.584 0.029 0.000 1.181 347 A CA 2.037 54.082 52.037 0.013 0.000 0.627 347 A CB -1.310 17.694 19.000 0.007 0.000 0.818 347 A HN 0.206 nan 8.150 nan 0.000 0.445 348 E N -0.598 119.626 120.200 0.040 0.000 2.038 348 E HA -0.173 4.177 4.350 -0.001 0.000 0.195 348 E C 2.159 178.812 176.600 0.088 0.000 1.000 348 E CA 1.764 58.197 56.400 0.054 0.000 0.803 348 E CB -0.395 29.335 29.700 0.051 0.000 0.750 348 E HN 0.629 nan 8.360 nan 0.000 0.448 349 V N -0.069 119.918 119.914 0.121 0.000 2.358 349 V HA -0.205 3.914 4.120 -0.001 0.000 0.246 349 V C 2.019 178.228 176.094 0.193 0.000 1.047 349 V CA 1.393 63.812 62.300 0.199 0.000 1.035 349 V CB -0.373 31.621 31.823 0.285 0.000 0.658 349 V HN 0.101 nan 8.190 nan 0.000 0.452 350 I N 1.825 122.468 120.570 0.122 0.000 2.286 350 I HA -0.091 4.079 4.170 -0.001 0.000 0.248 350 I C 2.839 178.982 176.117 0.043 0.000 1.115 350 I CA 1.745 63.081 61.300 0.060 0.000 1.392 350 I CB -1.213 36.774 38.000 -0.022 0.000 1.065 350 I HN 0.388 nan 8.210 nan 0.000 0.418 351 A N -0.078 122.769 122.820 0.044 0.000 1.930 351 A HA -0.194 4.126 4.320 -0.001 0.000 0.217 351 A C 2.508 180.128 177.584 0.059 0.000 1.175 351 A CA 1.946 54.004 52.037 0.035 0.000 0.627 351 A CB -0.978 18.037 19.000 0.026 0.000 0.815 351 A HN 0.521 nan 8.150 nan 0.000 0.443 352 S N -0.310 115.448 115.700 0.098 0.000 2.423 352 S HA 0.188 4.658 4.470 -0.001 0.000 0.231 352 S C 1.587 176.278 174.600 0.152 0.000 1.014 352 S CA 1.019 59.300 58.200 0.135 0.000 0.965 352 S CB -0.336 62.974 63.200 0.184 0.000 0.785 352 S HN 0.925 nan 8.310 nan 0.000 0.495 353 A N 0.901 123.780 122.820 0.099 0.000 2.379 353 A HA 0.491 4.811 4.320 -0.001 0.000 0.236 353 A C 1.506 179.097 177.584 0.013 0.000 1.272 353 A CA 0.520 52.568 52.037 0.018 0.000 0.886 353 A CB -0.326 18.495 19.000 -0.300 0.000 0.962 353 A HN 0.726 nan 8.150 nan 0.000 0.504 354 T N -2.843 111.721 114.554 0.018 0.000 3.277 354 T HA 0.134 4.483 4.350 -0.001 0.000 0.136 354 T C 1.760 176.456 174.700 -0.006 0.000 0.874 354 T CA 0.611 62.707 62.100 -0.007 0.000 0.823 354 T CB -0.958 67.896 68.868 -0.023 0.000 1.493 354 T HN 0.391 nan 8.240 nan 0.000 0.296 355 I N 1.504 122.074 120.570 -0.001 0.000 2.286 355 I HA 0.002 4.172 4.170 -0.001 0.000 0.248 355 I C 2.272 178.395 176.117 0.009 0.000 1.115 355 I CA 1.203 62.503 61.300 0.000 0.000 1.392 355 I CB -0.909 37.092 38.000 0.001 0.000 1.065 355 I HN 0.190 nan 8.210 nan 0.000 0.418 356 V N 1.383 121.316 119.914 0.031 0.000 2.323 356 V HA -0.201 3.919 4.120 -0.001 0.000 0.244 356 V C 2.804 178.897 176.094 -0.001 0.000 1.041 356 V CA 2.229 64.567 62.300 0.063 0.000 1.025 356 V CB -0.662 31.222 31.823 0.102 0.000 0.656 356 V HN 0.454 nan 8.190 nan 0.000 0.451 357 S N 0.275 115.966 115.700 -0.014 0.000 2.383 357 S HA -0.179 4.290 4.470 -0.001 0.000 0.229 357 S C 2.173 176.681 174.600 -0.153 0.000 1.030 357 S CA 1.460 59.614 58.200 -0.077 0.000 1.002 357 S CB -0.448 62.744 63.200 -0.013 0.000 0.829 357 S HN 0.649 nan 8.310 nan 0.000 0.467 358 A N 1.060 123.815 122.820 -0.109 0.000 1.969 358 A HA -0.085 4.235 4.320 -0.001 0.000 0.218 358 A C 1.990 179.492 177.584 -0.137 0.000 1.169 358 A CA 1.367 53.329 52.037 -0.125 0.000 0.635 358 A CB -0.475 18.490 19.000 -0.059 0.000 0.810 358 A HN 0.543 nan 8.150 nan 0.000 0.445 359 E N -0.218 119.915 120.200 -0.112 0.000 2.051 359 E HA -0.149 4.201 4.350 -0.001 0.000 0.192 359 E C 1.926 178.344 176.600 -0.303 0.000 0.991 359 E CA 1.446 57.778 56.400 -0.113 0.000 0.799 359 E CB -0.170 29.540 29.700 0.016 0.000 0.748 359 E HN 0.321 nan 8.360 nan 0.000 0.449 360 V N 1.361 120.962 119.914 -0.522 0.000 2.317 360 V HA -0.294 3.826 4.120 -0.001 0.000 0.251 360 V C 2.266 178.084 176.094 -0.461 0.000 1.065 360 V CA 1.658 63.513 62.300 -0.742 0.000 1.049 360 V CB -0.423 31.037 31.823 -0.605 0.000 0.651 360 V HN 0.366 nan 8.190 nan 0.000 0.450 361 L N 0.143 121.165 121.223 -0.335 0.000 2.552 361 L HA 0.190 4.529 4.340 -0.001 0.000 0.227 361 L C 1.700 178.497 176.870 -0.122 0.000 1.146 361 L CA 0.788 55.446 54.840 -0.304 0.000 0.858 361 L CB -0.864 40.838 42.059 -0.595 0.000 0.969 361 L HN 0.582 nan 8.230 nan 0.000 0.451 362 G N 0.344 109.077 108.800 -0.112 0.000 2.221 362 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.265 362 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.265 362 G C 0.468 175.384 174.900 0.026 0.000 1.041 362 G CA 0.193 45.282 45.100 -0.019 0.000 0.807 362 G HN 0.241 nan 8.290 nan 0.000 0.502 363 M N 0.651 120.246 119.600 -0.009 0.000 2.785 363 M HA 0.145 4.624 4.480 -0.001 0.000 0.374 363 M C 0.897 177.221 176.300 0.040 0.000 1.221 363 M CA -0.136 55.190 55.300 0.043 0.000 0.912 363 M CB 0.412 33.022 32.600 0.016 0.000 1.355 363 M HN 0.576 nan 8.290 nan 0.000 0.513 364 Q N 0.433 120.249 119.800 0.026 0.000 2.330 364 Q HA 0.058 4.398 4.340 -0.001 0.000 0.279 364 Q C -0.281 175.750 176.000 0.051 0.000 1.024 364 Q CA 0.649 56.469 55.803 0.028 0.000 0.900 364 Q CB 0.725 29.475 28.738 0.021 0.000 1.221 364 Q HN 0.293 nan 8.270 nan 0.000 0.396 365 D N 1.499 121.929 120.400 0.050 0.000 2.911 365 D HA -0.177 4.462 4.640 -0.001 0.000 0.199 365 D C 0.246 176.603 176.300 0.095 0.000 1.041 365 D CA 2.017 56.053 54.000 0.060 0.000 1.013 365 D CB -0.589 40.241 40.800 0.050 0.000 1.093 365 D HN 0.781 nan 8.370 nan 0.000 0.431 366 K N -0.628 119.850 120.400 0.131 0.000 2.365 366 K HA 0.340 4.660 4.320 -0.001 0.000 0.195 366 K C 0.964 177.716 176.600 0.253 0.000 1.079 366 K CA 0.377 56.807 56.287 0.238 0.000 0.979 366 K CB 1.262 33.953 32.500 0.318 0.000 0.929 366 K HN 0.076 nan 8.250 nan 0.000 0.523 367 L N -1.165 120.137 121.223 0.132 0.000 2.303 367 L HA 0.451 4.791 4.340 -0.001 0.000 0.256 367 L C 0.631 177.516 176.870 0.025 0.000 1.034 367 L CA -0.582 54.300 54.840 0.071 0.000 0.832 367 L CB 2.032 44.103 42.059 0.019 0.000 1.403 367 L HN 0.363 nan 8.230 nan 0.000 0.419 368 G N 0.734 109.535 108.800 0.001 0.000 2.184 368 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.264 368 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.264 368 G C 0.141 175.030 174.900 -0.017 0.000 0.975 368 G CA 0.615 45.706 45.100 -0.016 0.000 0.642 368 G HN 0.616 nan 8.290 nan 0.000 0.536 369 R N -0.694 119.803 120.500 -0.006 0.000 2.604 369 R HA 0.544 4.883 4.340 -0.001 0.000 0.270 369 R C -0.890 175.405 176.300 -0.009 0.000 1.052 369 R CA -1.060 55.032 56.100 -0.014 0.000 0.902 369 R CB 0.906 31.205 30.300 -0.002 0.000 1.233 369 R HN 0.124 nan 8.270 nan 0.000 0.455 370 I N 5.453 126.002 120.570 -0.035 0.000 2.269 370 I HA 0.227 4.397 4.170 -0.001 0.000 0.293 370 I C -0.092 176.016 176.117 -0.015 0.000 1.106 370 I CA -0.356 60.924 61.300 -0.034 0.000 1.248 370 I CB 0.818 38.769 38.000 -0.082 0.000 1.444 370 I HN 0.306 nan 8.210 nan 0.000 0.497 371 V N 3.968 123.895 119.914 0.023 0.000 3.178 371 V HA 0.611 4.731 4.120 -0.001 0.000 0.302 371 V C -2.931 173.198 176.094 0.059 0.000 1.262 371 V CA -2.637 59.684 62.300 0.034 0.000 1.030 371 V CB 1.924 33.764 31.823 0.028 0.000 1.074 371 V HN 0.250 nan 8.190 nan 0.000 0.438 372 P HA 0.369 nan 4.420 nan 0.000 0.257 372 P C 0.908 178.237 177.300 0.048 0.000 1.189 372 P CA 1.996 65.131 63.100 0.058 0.000 0.780 372 P CB 0.355 32.083 31.700 0.046 0.000 0.772 373 G N 2.411 111.250 108.800 0.064 0.000 2.253 373 G HA2 -0.105 3.855 3.960 -0.001 0.000 0.209 373 G HA3 -0.105 3.855 3.960 -0.001 0.000 0.209 373 G C 0.409 175.393 174.900 0.139 0.000 0.997 373 G CA -0.066 45.051 45.100 0.028 0.000 0.640 373 G HN 0.798 nan 8.290 nan 0.000 0.496 374 A N 1.058 123.974 122.820 0.159 0.000 2.366 374 A HA 0.608 4.927 4.320 -0.001 0.000 0.249 374 A C 0.510 178.213 177.584 0.199 0.000 1.084 374 A CA -0.244 51.901 52.037 0.180 0.000 0.794 374 A CB 0.041 19.115 19.000 0.125 0.000 1.034 374 A HN 0.458 nan 8.150 nan 0.000 0.491 375 H N 0.247 119.387 119.070 0.117 0.000 2.815 375 H HA 0.198 4.754 4.556 -0.001 0.000 0.350 375 H C 0.750 176.027 175.328 -0.086 0.000 1.080 375 H CA 0.960 56.934 56.048 -0.123 0.000 1.433 375 H CB 0.850 30.531 29.762 -0.134 0.000 1.432 375 H HN 0.706 nan 8.280 nan 0.000 0.592 376 A N 3.983 126.774 122.820 -0.047 0.000 3.063 376 A HA 0.068 4.388 4.320 -0.001 0.000 0.263 376 A C -0.360 177.217 177.584 -0.012 0.000 1.736 376 A CA -0.402 51.636 52.037 0.000 0.000 1.408 376 A CB -0.783 18.230 19.000 0.022 0.000 1.108 376 A HN 0.509 nan 8.150 nan 0.000 0.621 377 D N 0.279 120.674 120.400 -0.008 0.000 2.329 377 D HA 0.539 5.179 4.640 -0.001 0.000 0.232 377 D C -0.455 175.803 176.300 -0.070 0.000 1.088 377 D CA 0.201 54.180 54.000 -0.035 0.000 0.835 377 D CB 1.617 42.401 40.800 -0.025 0.000 1.078 377 D HN 0.113 nan 8.370 nan 0.000 0.495 378 V N 2.696 122.549 119.914 -0.101 0.000 3.049 378 V HA 0.524 4.644 4.120 -0.001 0.000 0.309 378 V C -0.508 175.484 176.094 -0.170 0.000 1.148 378 V CA -0.831 61.363 62.300 -0.176 0.000 0.990 378 V CB 2.233 33.878 31.823 -0.296 0.000 1.039 378 V HN 0.356 nan 8.190 nan 0.000 0.430 379 L N 2.287 123.391 121.223 -0.198 0.000 2.354 379 L HA 0.788 5.127 4.340 -0.001 0.000 0.264 379 L C -1.197 175.575 176.870 -0.164 0.000 1.008 379 L CA -1.029 53.718 54.840 -0.154 0.000 0.819 379 L CB 2.427 44.397 42.059 -0.150 0.000 1.339 379 L HN 0.341 nan 8.230 nan 0.000 0.420 380 V N 2.284 122.142 119.914 -0.093 0.000 2.444 380 V HA 0.510 4.630 4.120 -0.001 0.000 0.294 380 V C -0.291 175.777 176.094 -0.043 0.000 1.022 380 V CA -0.590 61.674 62.300 -0.061 0.000 0.850 380 V CB 2.144 33.973 31.823 0.010 0.000 0.992 380 V HN 0.418 nan 8.190 nan 0.000 0.426 381 V N 2.709 122.591 119.914 -0.053 0.000 2.628 381 V HA 0.418 4.538 4.120 -0.001 0.000 0.306 381 V C -0.235 175.847 176.094 -0.020 0.000 1.045 381 V CA -0.641 61.633 62.300 -0.043 0.000 0.905 381 V CB 2.233 34.004 31.823 -0.086 0.000 0.997 381 V HN 0.861 nan 8.190 nan 0.000 0.436 382 D N 2.659 123.066 120.400 0.013 0.000 2.713 382 D HA 0.540 5.180 4.640 -0.001 0.000 0.229 382 D C 0.350 176.619 176.300 -0.052 0.000 1.136 382 D CA 1.183 55.190 54.000 0.011 0.000 1.010 382 D CB -0.124 40.729 40.800 0.088 0.000 1.084 382 D HN 0.947 nan 8.370 nan 0.000 0.495 383 G N 1.130 109.895 108.800 -0.059 0.000 2.343 383 G HA2 0.095 4.054 3.960 -0.001 0.000 0.289 383 G HA3 0.095 4.054 3.960 -0.001 0.000 0.289 383 G C -1.465 173.391 174.900 -0.073 0.000 1.295 383 G CA -1.058 43.993 45.100 -0.082 0.000 0.869 383 G HN 0.177 nan 8.290 nan 0.000 0.522 384 N N 0.662 119.318 118.700 -0.074 0.000 2.696 384 N HA 0.539 5.278 4.740 -0.001 0.000 0.246 384 N C -1.573 173.890 175.510 -0.078 0.000 1.057 384 N CA -2.224 50.785 53.050 -0.068 0.000 0.867 384 N CB 2.213 40.671 38.487 -0.048 0.000 1.141 384 N HN 0.033 nan 8.380 nan 0.000 0.517 385 P HA -0.111 nan 4.420 nan 0.000 0.217 385 P C 1.376 178.626 177.300 -0.084 0.000 1.148 385 P CA 0.955 63.980 63.100 -0.125 0.000 0.828 385 P CB 0.379 31.973 31.700 -0.177 0.000 0.783 386 L N -1.257 119.927 121.223 -0.065 0.000 2.353 386 L HA -0.152 4.188 4.340 -0.001 0.000 0.220 386 L C 2.117 178.971 176.870 -0.027 0.000 1.133 386 L CA 1.372 56.189 54.840 -0.039 0.000 0.798 386 L CB -0.423 41.618 42.059 -0.030 0.000 0.922 386 L HN 0.069 nan 8.230 nan 0.000 0.445 387 K N -1.738 118.642 120.400 -0.033 0.000 2.329 387 K HA 0.155 4.475 4.320 -0.001 0.000 0.198 387 K C 0.573 177.159 176.600 -0.023 0.000 1.085 387 K CA 0.267 56.540 56.287 -0.023 0.000 0.961 387 K CB 0.922 33.408 32.500 -0.025 0.000 0.971 387 K HN -0.010 nan 8.250 nan 0.000 0.502 388 S N 0.673 116.350 115.700 -0.038 0.000 2.649 388 S HA 0.131 4.601 4.470 -0.001 0.000 0.274 388 S C 0.439 175.005 174.600 -0.057 0.000 1.176 388 S CA -0.649 57.531 58.200 -0.033 0.000 0.988 388 S CB 1.605 64.785 63.200 -0.032 0.000 1.071 388 S HN 0.060 nan 8.310 nan 0.000 0.478 389 V N 1.531 121.421 119.914 -0.041 0.000 3.241 389 V HA 0.021 4.141 4.120 -0.001 0.000 0.269 389 V C 1.500 177.543 176.094 -0.084 0.000 1.151 389 V CA 1.560 63.808 62.300 -0.088 0.000 1.158 389 V CB -0.653 31.172 31.823 0.003 0.000 0.764 389 V HN 0.748 nan 8.190 nan 0.000 0.508 390 D N 1.512 121.889 120.400 -0.039 0.000 2.182 390 D HA -0.163 4.476 4.640 -0.001 0.000 0.201 390 D C 2.208 178.499 176.300 -0.014 0.000 0.986 390 D CA 1.963 55.957 54.000 -0.009 0.000 0.847 390 D CB -0.421 40.372 40.800 -0.012 0.000 0.942 390 D HN 0.851 nan 8.370 nan 0.000 0.467 391 C N -0.330 118.927 119.300 -0.072 0.000 2.456 391 C HA 0.118 4.578 4.460 -0.001 0.000 0.279 391 C C 2.549 177.545 174.990 0.010 0.000 1.427 391 C CA -0.314 58.679 59.018 -0.043 0.000 1.778 391 C CB -1.519 26.154 27.740 -0.113 0.000 1.842 391 C HN 0.199 nan 8.230 nan 0.000 0.531 392 L N 0.513 121.665 121.223 -0.118 0.000 2.552 392 L HA 0.176 4.515 4.340 -0.001 0.000 0.227 392 L C 1.316 178.171 176.870 -0.024 0.000 1.146 392 L CA 0.181 54.900 54.840 -0.202 0.000 0.858 392 L CB -0.432 41.256 42.059 -0.618 0.000 0.969 392 L HN 0.362 nan 8.230 nan 0.000 0.451 393 L N -0.459 120.804 121.223 0.066 0.000 2.464 393 L HA 0.306 4.646 4.340 -0.001 0.000 0.264 393 L C 1.297 178.242 176.870 0.125 0.000 1.199 393 L CA 0.635 55.559 54.840 0.140 0.000 0.818 393 L CB 0.113 42.256 42.059 0.139 0.000 1.102 393 L HN 0.304 nan 8.230 nan 0.000 0.473 394 G N 1.386 110.267 108.800 0.135 0.000 2.509 394 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.256 394 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.256 394 G C 0.008 174.965 174.900 0.095 0.000 1.152 394 G CA -0.297 44.862 45.100 0.098 0.000 0.951 394 G HN 0.527 nan 8.290 nan 0.000 0.559 395 Q N 1.633 121.466 119.800 0.055 0.000 2.241 395 Q HA 0.439 4.779 4.340 -0.001 0.000 0.296 395 Q C 1.362 177.385 176.000 0.038 0.000 0.889 395 Q CA 1.101 56.939 55.803 0.059 0.000 1.089 395 Q CB 0.348 29.115 28.738 0.048 0.000 1.195 395 Q HN 2.366 nan 8.270 nan 0.000 0.451 396 G N 0.870 109.683 108.800 0.023 0.000 2.159 396 G HA2 -0.354 3.606 3.960 -0.001 0.000 0.256 396 G HA3 -0.354 3.606 3.960 -0.001 0.000 0.256 396 G C 0.799 175.664 174.900 -0.059 0.000 0.977 396 G CA 0.633 45.732 45.100 -0.002 0.000 0.652 396 G HN 0.359 nan 8.290 nan 0.000 0.531 397 E N 0.427 120.544 120.200 -0.137 0.000 2.095 397 E HA -0.193 4.157 4.350 -0.001 0.000 0.212 397 E C 1.729 178.138 176.600 -0.319 0.000 1.044 397 E CA 1.866 58.093 56.400 -0.288 0.000 0.857 397 E CB -0.317 29.090 29.700 -0.489 0.000 0.764 397 E HN 0.752 nan 8.360 nan 0.000 0.462 398 H N -0.864 118.200 119.070 -0.010 0.000 2.592 398 H HA 0.233 4.789 4.556 -0.001 0.000 0.291 398 H C -0.013 175.292 175.328 -0.038 0.000 1.052 398 H CA 0.278 56.312 56.048 -0.023 0.000 1.175 398 H CB -0.310 29.433 29.762 -0.031 0.000 1.378 398 H HN 0.138 nan 8.280 nan 0.000 0.576 399 I N 3.324 123.905 120.570 0.018 0.000 2.621 399 I HA 0.121 4.291 4.170 -0.001 0.000 0.276 399 I C -1.666 174.454 176.117 0.004 0.000 1.118 399 I CA -1.573 59.725 61.300 -0.004 0.000 1.159 399 I CB 1.905 39.886 38.000 -0.031 0.000 1.357 399 I HN -0.132 nan 8.210 nan 0.000 0.513 400 P HA -0.025 nan 4.420 nan 0.000 0.229 400 P C 0.260 177.575 177.300 0.025 0.000 1.160 400 P CA 0.816 63.926 63.100 0.018 0.000 0.777 400 P CB 1.083 32.799 31.700 0.027 0.000 0.814 401 L N -0.259 120.981 121.223 0.028 0.000 2.482 401 L HA 0.437 4.777 4.340 -0.001 0.000 0.269 401 L C -1.549 175.339 176.870 0.031 0.000 0.967 401 L CA -0.834 54.032 54.840 0.043 0.000 0.851 401 L CB 2.313 44.418 42.059 0.077 0.000 1.242 401 L HN -0.428 nan 8.230 nan 0.000 0.404 402 V N 6.067 126.018 119.914 0.063 0.000 2.444 402 V HA 0.513 4.633 4.120 -0.001 0.000 0.294 402 V C -0.180 175.962 176.094 0.080 0.000 1.022 402 V CA -0.351 61.989 62.300 0.067 0.000 0.850 402 V CB 1.725 33.635 31.823 0.146 0.000 0.992 402 V HN 0.842 nan 8.190 nan 0.000 0.426 403 M N 5.946 125.555 119.600 0.015 0.000 2.259 403 M HA 0.646 5.126 4.480 -0.001 0.000 0.304 403 M C -1.179 175.112 176.300 -0.016 0.000 1.019 403 M CA -0.509 54.790 55.300 -0.003 0.000 0.922 403 M CB 1.726 34.300 32.600 -0.044 0.000 1.600 403 M HN 0.641 nan 8.290 nan 0.000 0.433 404 K N 4.318 124.716 120.400 -0.002 0.000 2.426 404 K HA 0.304 4.624 4.320 -0.001 0.000 0.254 404 K C -0.829 175.761 176.600 -0.018 0.000 0.936 404 K CA -0.219 56.056 56.287 -0.021 0.000 0.801 404 K CB 1.147 33.626 32.500 -0.035 0.000 1.139 404 K HN 0.913 nan 8.250 nan 0.000 0.424 405 D N 2.793 123.173 120.400 -0.034 0.000 3.059 405 D HA -0.177 4.462 4.640 -0.001 0.000 0.220 405 D C 0.524 176.802 176.300 -0.037 0.000 1.169 405 D CA 2.035 56.004 54.000 -0.051 0.000 0.902 405 D CB -1.046 39.733 40.800 -0.035 0.000 1.116 405 D HN 1.134 nan 8.370 nan 0.000 0.417 406 G N -0.384 108.411 108.800 -0.009 0.000 2.130 406 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.216 406 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.216 406 G C 0.125 175.069 174.900 0.073 0.000 0.999 406 G CA 0.301 45.430 45.100 0.049 0.000 0.686 406 G HN 0.447 nan 8.290 nan 0.000 0.515 407 R N -0.511 120.002 120.500 0.022 0.000 2.686 407 R HA 0.556 4.896 4.340 -0.001 0.000 0.286 407 R C 0.171 176.468 176.300 -0.006 0.000 0.969 407 R CA -0.974 55.153 56.100 0.045 0.000 0.898 407 R CB 1.441 31.788 30.300 0.077 0.000 1.183 407 R HN 0.159 nan 8.270 nan 0.000 0.456 408 L N 3.921 125.129 121.223 -0.024 0.000 2.313 408 L HA 0.166 4.506 4.340 -0.001 0.000 0.282 408 L C 1.050 177.970 176.870 0.083 0.000 1.092 408 L CA 0.098 54.931 54.840 -0.011 0.000 0.831 408 L CB 0.325 42.360 42.059 -0.041 0.000 1.159 408 L HN 0.719 nan 8.230 nan 0.000 0.442 409 F N 4.528 124.464 119.950 -0.024 0.000 2.262 409 F HA 0.166 4.692 4.527 -0.001 0.000 0.292 409 F C 0.548 176.346 175.800 -0.004 0.000 1.081 409 F CA 0.392 58.387 58.000 -0.009 0.000 1.355 409 F CB 0.671 39.666 39.000 -0.007 0.000 1.069 409 F HN 0.148 nan 8.300 nan 0.000 0.506 410 V N 1.061 120.957 119.914 -0.032 0.000 2.841 410 V HA 0.350 4.469 4.120 -0.001 0.000 0.310 410 V C -1.404 174.678 176.094 -0.020 0.000 1.090 410 V CA -0.809 61.417 62.300 -0.122 0.000 0.930 410 V CB 1.757 33.543 31.823 -0.062 0.000 1.014 410 V HN 0.273 nan 8.190 nan 0.000 0.425 411 N N 2.504 121.185 118.700 -0.031 0.000 2.976 411 N HA 0.116 4.855 4.740 -0.001 0.000 0.220 411 N C -0.459 175.058 175.510 0.012 0.000 1.428 411 N CA -0.377 52.681 53.050 0.013 0.000 0.748 411 N CB 1.061 39.570 38.487 0.036 0.000 1.484 411 N HN 0.822 nan 8.380 nan 0.000 0.578 412 E N 3.347 123.552 120.200 0.009 0.000 2.280 412 E HA 0.196 4.546 4.350 -0.001 0.000 0.279 412 E C 0.181 176.796 176.600 0.025 0.000 1.325 412 E CA -0.340 56.065 56.400 0.009 0.000 1.486 412 E CB 0.488 30.186 29.700 -0.003 0.000 1.466 412 E HN 0.470 nan 8.360 nan 0.000 0.473 413 L N -0.169 121.077 121.223 0.039 0.000 2.614 413 L HA 0.181 4.521 4.340 -0.001 0.000 0.185 413 L C 1.235 178.131 176.870 0.043 0.000 1.098 413 L CA -0.206 54.661 54.840 0.044 0.000 0.852 413 L CB -0.285 41.809 42.059 0.060 0.000 1.213 413 L HN 0.262 nan 8.230 nan 0.000 0.491 414 E N 0.000 120.235 120.200 0.058 0.000 2.725 414 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 414 E CA 0.000 56.436 56.400 0.060 0.000 0.976 414 E CB 0.000 29.756 29.700 0.094 0.000 0.812 414 E HN 0.000 nan 8.360 nan 0.000 0.440