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 1f5n_1_A DATA FIRST_RESID 7 DATA SEQUENCE MTGPMCLIEN TNGRLMANPE ALKILSAITQ PMVVVAIVGL YRTGKSYLMN DATA SEQUENCE KLAGKKKGFS LGSTVQSHTK GIWMWCVPHP KKPGHILVLL DTEGLGDVEK DATA SEQUENCE GDNQNDSWIF ALAVLLSSTF VYNSIGTINQ QAMDQLYYVT ELTHRIRSKS DATA SEQUENCE SXXXXXXXVE DSADFVSFFP DFVWTLRDFS LDLEADGQPL TPDEYLTYSL DATA SEQUENCE KLKKGTSQKD ETFNLPRLCI RKFFPKKKCF VFDRPVHRRK LAQLEKLQDE DATA SEQUENCE ELDPEFVQQV ADFCSYIFSN SKTKTLSGGI QVNGPRLESL VLTYVNAISS DATA SEQUENCE GDLPCMENAV LALAQIENSA AVQKAIAHYE QQMGQKVQLP TESLQELLDL DATA SEQUENCE HRDSEREAIE VFIRSSFKDV DHLFQKELAA QLEKKRDDFC KQNQEASSDR DATA SEQUENCE CSGLLQVIFS PLEEEVKAGI YSKPGGYRLF VQKLQDLKKK YYEEPRKGIQ DATA SEQUENCE AEEILQTYLK SKESMTDAIL QTDQTLTEKE KEIEVERVKA ESAQASAKML DATA SEQUENCE HEMQRKNEQM MEQKERSYQE HLKQLTEKME NDRVQLLKEQ ERTLALKLQE DATA SEQUENCE QEQLLKEGFQ KESRIMKNEI QDLQTKM 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 7 M HA 0.000 nan 4.480 nan 0.000 0.227 7 M C 0.000 176.448 176.300 0.247 0.000 1.140 7 M CA 0.000 55.410 55.300 0.183 0.000 0.988 7 M CB 0.000 32.771 32.600 0.285 0.000 1.302 8 T N -1.187 113.444 114.554 0.127 0.000 2.915 8 T HA 0.264 4.615 4.350 0.002 0.000 0.269 8 T C 0.757 175.492 174.700 0.060 0.000 1.071 8 T CA 1.157 63.324 62.100 0.111 0.000 1.132 8 T CB 0.167 69.058 68.868 0.037 0.000 0.878 8 T HN 0.852 nan 8.240 nan 0.000 0.479 9 G N 1.097 109.814 108.800 -0.137 0.000 2.608 9 G HA2 0.583 4.544 3.960 0.002 0.000 0.291 9 G HA3 0.583 4.544 3.960 0.002 0.000 0.291 9 G C -3.332 171.026 174.900 -0.903 0.000 1.425 9 G CA -1.404 43.275 45.100 -0.702 0.000 0.787 9 G HN 0.025 nan 8.290 nan 0.000 0.484 10 P HA 0.325 nan 4.420 nan 0.000 0.272 10 P C -0.566 176.734 177.300 0.000 0.000 1.240 10 P CA -0.028 62.734 63.100 -0.563 0.000 0.791 10 P CB 1.327 32.632 31.700 -0.659 0.000 0.978 11 M N 1.160 120.818 119.600 0.097 0.000 2.484 11 M HA 0.320 4.801 4.480 0.002 0.000 0.289 11 M C -1.126 174.866 176.300 -0.513 0.000 1.206 11 M CA -0.922 54.281 55.300 -0.161 0.000 0.892 11 M CB 2.079 34.607 32.600 -0.120 0.000 1.712 11 M HN 0.374 nan 8.290 nan 0.000 0.462 12 C N 4.277 122.857 119.300 -1.199 0.000 2.629 12 C HA 0.248 4.709 4.460 0.002 0.000 0.410 12 C C 1.233 175.908 174.990 -0.524 0.000 1.339 12 C CA -0.401 57.825 59.018 -1.321 0.000 1.810 12 C CB -0.261 26.710 27.740 -1.282 0.000 2.549 12 C HN 0.940 nan 8.230 nan 0.000 0.589 13 L N 6.593 127.627 121.223 -0.315 0.000 2.269 13 L HA 0.530 4.871 4.340 0.002 0.000 0.200 13 L C 0.448 177.253 176.870 -0.107 0.000 1.069 13 L CA 1.536 56.297 54.840 -0.133 0.000 0.804 13 L CB -0.077 41.968 42.059 -0.024 0.000 0.987 13 L HN 0.689 nan 8.230 nan 0.000 0.468 14 I N 0.888 121.403 120.570 -0.092 0.000 2.410 14 I HA 0.252 4.423 4.170 0.002 0.000 0.286 14 I C -0.356 175.728 176.117 -0.054 0.000 1.009 14 I CA -0.431 60.841 61.300 -0.047 0.000 1.111 14 I CB 1.704 39.709 38.000 0.009 0.000 1.262 14 I HN 0.132 nan 8.210 nan 0.000 0.443 15 E N 5.603 125.768 120.200 -0.058 0.000 2.343 15 E HA 0.179 4.530 4.350 0.002 0.000 0.269 15 E C -0.714 175.891 176.600 0.007 0.000 1.047 15 E CA -0.452 55.926 56.400 -0.037 0.000 0.874 15 E CB 1.057 30.727 29.700 -0.050 0.000 1.033 15 E HN 0.498 nan 8.360 nan 0.000 0.409 16 N N 2.432 121.152 118.700 0.033 0.000 2.623 16 N HA 0.242 4.983 4.740 0.002 0.000 0.256 16 N C -2.045 173.490 175.510 0.042 0.000 1.045 16 N CA -0.320 52.759 53.050 0.048 0.000 0.863 16 N CB 1.475 40.005 38.487 0.073 0.000 1.182 16 N HN 0.314 nan 8.380 nan 0.000 0.523 17 T N 2.090 116.662 114.554 0.030 0.000 2.881 17 T HA 0.337 4.688 4.350 0.002 0.000 0.290 17 T C -0.072 174.643 174.700 0.025 0.000 1.000 17 T CA -0.565 61.551 62.100 0.025 0.000 0.978 17 T CB 0.816 69.693 68.868 0.016 0.000 0.997 17 T HN 0.501 nan 8.240 nan 0.000 0.443 18 N N 1.512 120.228 118.700 0.026 0.000 2.721 18 N HA -0.200 4.542 4.740 0.002 0.000 0.249 18 N C 1.093 176.625 175.510 0.035 0.000 1.072 18 N CA 1.632 54.698 53.050 0.027 0.000 0.710 18 N CB -1.236 37.263 38.487 0.020 0.000 0.993 18 N HN 1.311 nan 8.380 nan 0.000 0.547 19 G N -2.031 106.797 108.800 0.047 0.000 2.184 19 G HA2 -0.385 3.576 3.960 0.002 0.000 0.264 19 G HA3 -0.385 3.576 3.960 0.002 0.000 0.264 19 G C 0.149 175.085 174.900 0.061 0.000 0.975 19 G CA 0.640 45.778 45.100 0.064 0.000 0.642 19 G HN 0.490 nan 8.290 nan 0.000 0.536 20 R N -0.437 120.086 120.500 0.040 0.000 2.514 20 R HA 0.766 5.107 4.340 0.002 0.000 0.301 20 R C 0.164 176.472 176.300 0.014 0.000 0.962 20 R CA -0.535 55.577 56.100 0.020 0.000 0.882 20 R CB 1.076 31.381 30.300 0.007 0.000 1.143 20 R HN 0.208 nan 8.270 nan 0.000 0.452 21 L N 4.868 126.087 121.223 -0.005 0.000 2.295 21 L HA 0.622 4.963 4.340 0.002 0.000 0.285 21 L C -0.182 176.672 176.870 -0.027 0.000 1.035 21 L CA -0.465 54.370 54.840 -0.008 0.000 0.806 21 L CB 0.981 43.029 42.059 -0.018 0.000 1.214 21 L HN 0.566 nan 8.230 nan 0.000 0.426 22 M N 2.077 121.664 119.600 -0.022 0.000 2.371 22 M HA 0.695 5.176 4.480 0.002 0.000 0.287 22 M C -0.925 175.354 176.300 -0.034 0.000 1.149 22 M CA -0.735 54.548 55.300 -0.029 0.000 0.929 22 M CB 2.053 34.636 32.600 -0.028 0.000 1.683 22 M HN 0.457 nan 8.290 nan 0.000 0.470 23 A N 2.443 125.243 122.820 -0.033 0.000 2.477 23 A HA 0.310 4.631 4.320 0.002 0.000 0.246 23 A C -0.157 177.397 177.584 -0.050 0.000 1.078 23 A CA -0.209 51.806 52.037 -0.037 0.000 0.770 23 A CB -0.027 18.956 19.000 -0.028 0.000 1.011 23 A HN 0.850 nan 8.150 nan 0.000 0.494 24 N N 3.621 122.280 118.700 -0.069 0.000 2.401 24 N HA 0.180 4.921 4.740 0.002 0.000 0.255 24 N C -1.256 174.216 175.510 -0.063 0.000 1.110 24 N CA -2.162 50.839 53.050 -0.083 0.000 0.949 24 N CB 0.946 39.352 38.487 -0.135 0.000 1.110 24 N HN 0.313 nan 8.380 nan 0.000 0.490 25 P HA -0.177 nan 4.420 nan 0.000 0.216 25 P C 0.502 177.779 177.300 -0.039 0.000 1.150 25 P CA 1.238 64.315 63.100 -0.038 0.000 0.843 25 P CB 0.493 32.174 31.700 -0.032 0.000 0.787 26 E N 0.053 120.224 120.200 -0.048 0.000 2.110 26 E HA -0.100 4.251 4.350 0.002 0.000 0.193 26 E C 2.193 178.766 176.600 -0.045 0.000 0.988 26 E CA 1.338 57.711 56.400 -0.045 0.000 0.804 26 E CB -0.775 28.892 29.700 -0.056 0.000 0.745 26 E HN 0.268 nan 8.360 nan 0.000 0.458 27 A N 1.099 123.884 122.820 -0.060 0.000 1.929 27 A HA -0.058 4.263 4.320 0.002 0.000 0.216 27 A C 2.364 179.934 177.584 -0.023 0.000 1.176 27 A CA 0.677 52.685 52.037 -0.048 0.000 0.628 27 A CB -0.576 18.379 19.000 -0.074 0.000 0.816 27 A HN 0.153 nan 8.150 nan 0.000 0.444 28 L N -0.470 120.737 121.223 -0.026 0.000 2.083 28 L HA -0.202 4.139 4.340 0.002 0.000 0.209 28 L C 2.605 179.468 176.870 -0.011 0.000 1.083 28 L CA 1.899 56.729 54.840 -0.016 0.000 0.752 28 L CB -0.459 41.588 42.059 -0.020 0.000 0.899 28 L HN 0.470 nan 8.230 nan 0.000 0.433 29 K N 0.525 120.917 120.400 -0.014 0.000 2.057 29 K HA -0.192 4.129 4.320 0.002 0.000 0.207 29 K C 2.128 178.727 176.600 -0.003 0.000 1.049 29 K CA 1.224 57.506 56.287 -0.009 0.000 0.931 29 K CB 0.098 32.591 32.500 -0.012 0.000 0.714 29 K HN 0.124 nan 8.250 nan 0.000 0.440 30 I N 1.672 122.242 120.570 -0.001 0.000 2.226 30 I HA -0.258 3.913 4.170 0.002 0.000 0.245 30 I C 2.265 178.392 176.117 0.015 0.000 1.100 30 I CA 1.254 62.560 61.300 0.010 0.000 1.374 30 I CB -0.950 37.060 38.000 0.017 0.000 1.057 30 I HN 0.270 nan 8.210 nan 0.000 0.413 31 L N 0.751 121.983 121.223 0.014 0.000 2.083 31 L HA -0.212 4.129 4.340 0.002 0.000 0.209 31 L C 2.716 179.591 176.870 0.009 0.000 1.083 31 L CA 1.668 56.518 54.840 0.017 0.000 0.752 31 L CB -0.645 41.424 42.059 0.016 0.000 0.899 31 L HN 0.338 nan 8.230 nan 0.000 0.433 32 S N -0.047 115.655 115.700 0.004 0.000 2.440 32 S HA -0.141 4.330 4.470 0.002 0.000 0.238 32 S C 1.865 176.466 174.600 0.002 0.000 1.010 32 S CA 0.899 59.099 58.200 0.001 0.000 0.972 32 S CB -0.288 62.911 63.200 -0.002 0.000 0.774 32 S HN 0.373 nan 8.310 nan 0.000 0.501 33 A N 0.647 123.469 122.820 0.004 0.000 2.195 33 A HA 0.487 4.808 4.320 0.002 0.000 0.210 33 A C 0.847 178.433 177.584 0.003 0.000 1.165 33 A CA -0.193 51.847 52.037 0.004 0.000 0.806 33 A CB -0.242 18.762 19.000 0.006 0.000 0.847 33 A HN 0.584 nan 8.150 nan 0.000 0.482 34 I N 1.623 122.196 120.570 0.005 0.000 2.287 34 I HA 0.089 4.260 4.170 0.002 0.000 0.290 34 I C 1.464 177.576 176.117 -0.008 0.000 1.069 34 I CA 0.019 61.320 61.300 0.002 0.000 1.237 34 I CB 1.321 39.328 38.000 0.012 0.000 1.418 34 I HN 0.282 nan 8.210 nan 0.000 0.481 35 T N 1.099 115.643 114.554 -0.017 0.000 3.081 35 T HA 0.111 4.462 4.350 0.002 0.000 0.255 35 T C 0.774 175.446 174.700 -0.048 0.000 1.113 35 T CA 0.038 62.122 62.100 -0.027 0.000 1.082 35 T CB 0.033 68.886 68.868 -0.024 0.000 0.939 35 T HN 0.505 nan 8.240 nan 0.000 0.506 36 Q N 2.741 122.506 119.800 -0.058 0.000 2.354 36 Q HA 0.317 4.658 4.340 0.002 0.000 0.244 36 Q C -2.443 173.484 176.000 -0.122 0.000 0.969 36 Q CA -2.432 53.308 55.803 -0.106 0.000 0.885 36 Q CB 0.499 29.174 28.738 -0.104 0.000 1.241 36 Q HN 0.271 nan 8.270 nan 0.000 0.461 37 P HA -0.063 nan 4.420 nan 0.000 0.267 37 P C -1.017 176.239 177.300 -0.074 0.000 1.200 37 P CA 0.686 63.676 63.100 -0.184 0.000 0.772 37 P CB 0.590 32.078 31.700 -0.353 0.000 0.855 38 M N 1.669 121.284 119.600 0.025 0.000 2.465 38 M HA 0.387 4.868 4.480 0.002 0.000 0.316 38 M C -0.572 175.807 176.300 0.131 0.000 1.121 38 M CA -1.138 54.214 55.300 0.087 0.000 0.934 38 M CB 2.477 35.116 32.600 0.065 0.000 1.692 38 M HN -0.033 nan 8.290 nan 0.000 0.444 39 V N 3.553 123.569 119.914 0.170 0.000 2.347 39 V HA 0.386 4.507 4.120 0.002 0.000 0.280 39 V C -0.388 175.784 176.094 0.129 0.000 1.021 39 V CA -0.713 61.686 62.300 0.164 0.000 0.847 39 V CB 1.558 33.524 31.823 0.239 0.000 0.990 39 V HN 0.638 nan 8.190 nan 0.000 0.444 40 V N 6.159 126.139 119.914 0.111 0.000 2.370 40 V HA 0.464 4.585 4.120 0.002 0.000 0.283 40 V C -0.134 176.017 176.094 0.095 0.000 1.023 40 V CA -0.533 61.829 62.300 0.103 0.000 0.857 40 V CB 1.745 33.629 31.823 0.102 0.000 0.985 40 V HN 0.585 nan 8.190 nan 0.000 0.443 41 V N 4.376 124.339 119.914 0.082 0.000 2.378 41 V HA 0.816 4.937 4.120 0.002 0.000 0.288 41 V C 0.311 176.427 176.094 0.037 0.000 1.016 41 V CA -0.422 61.913 62.300 0.057 0.000 0.840 41 V CB 1.525 33.368 31.823 0.033 0.000 0.994 41 V HN 0.980 nan 8.190 nan 0.000 0.431 42 A N 5.497 128.321 122.820 0.005 0.000 2.340 42 A HA 0.932 5.254 4.320 0.002 0.000 0.331 42 A C -0.912 176.534 177.584 -0.230 0.000 1.140 42 A CA -0.625 51.374 52.037 -0.065 0.000 0.801 42 A CB 1.374 20.374 19.000 0.001 0.000 1.234 42 A HN 0.860 nan 8.150 nan 0.000 0.469 43 I N 2.172 122.578 120.570 -0.274 0.000 2.509 43 I HA 0.700 4.872 4.170 0.002 0.000 0.293 43 I C -0.886 174.989 176.117 -0.404 0.000 1.020 43 I CA -0.788 60.283 61.300 -0.382 0.000 1.088 43 I CB 1.935 39.761 38.000 -0.289 0.000 1.267 43 I HN 0.712 nan 8.210 nan 0.000 0.430 44 V N 3.477 123.079 119.914 -0.521 0.000 3.114 44 V HA 1.115 5.236 4.120 0.002 0.000 0.308 44 V C -0.437 175.443 176.094 -0.356 0.000 1.168 44 V CA 0.022 62.104 62.300 -0.364 0.000 1.015 44 V CB 1.204 32.796 31.823 -0.384 0.000 1.050 44 V HN 1.142 nan 8.190 nan 0.000 0.433 45 G N 0.805 109.494 108.800 -0.186 0.000 2.352 45 G HA2 0.496 4.457 3.960 0.002 0.000 0.302 45 G HA3 0.496 4.457 3.960 0.002 0.000 0.302 45 G C -1.492 173.361 174.900 -0.079 0.000 1.370 45 G CA -0.451 44.492 45.100 -0.261 0.000 0.918 45 G HN 1.700 nan 8.290 nan 0.000 0.610 46 L N 0.964 122.159 121.223 -0.047 0.000 2.529 46 L HA 0.463 4.805 4.340 0.002 0.000 0.287 46 L C 0.962 177.823 176.870 -0.014 0.000 1.241 46 L CA -0.412 54.440 54.840 0.020 0.000 0.857 46 L CB -0.115 41.929 42.059 -0.024 0.000 1.113 46 L HN 0.864 nan 8.230 nan 0.000 0.504 47 Y N 3.654 123.950 120.300 -0.007 0.000 2.511 47 Y HA 0.240 4.791 4.550 0.002 0.000 0.347 47 Y C 1.100 176.988 175.900 -0.021 0.000 1.257 47 Y CA -0.480 57.611 58.100 -0.014 0.000 1.469 47 Y CB 0.102 38.566 38.460 0.007 0.000 1.353 47 Y HN 0.860 nan 8.280 nan 0.000 0.617 48 R N -0.128 120.373 120.500 0.001 0.000 3.651 48 R HA -0.212 4.129 4.340 0.002 0.000 0.292 48 R C -0.626 175.579 176.300 -0.158 0.000 1.161 48 R CA 1.344 57.388 56.100 -0.093 0.000 0.787 48 R CB -3.043 27.171 30.300 -0.143 0.000 1.249 48 R HN 1.057 nan 8.270 nan 0.000 0.476 49 T N -3.347 111.122 114.554 -0.141 0.000 3.129 49 T HA 0.436 4.787 4.350 0.002 0.000 0.267 49 T C 1.295 175.912 174.700 -0.139 0.000 1.018 49 T CA 0.391 62.402 62.100 -0.148 0.000 0.903 49 T CB 1.097 69.869 68.868 -0.160 0.000 1.067 49 T HN 1.203 nan 8.240 nan 0.000 0.549 50 G N 2.031 110.763 108.800 -0.114 0.000 2.160 50 G HA2 -0.290 3.671 3.960 0.002 0.000 0.244 50 G HA3 -0.290 3.671 3.960 0.002 0.000 0.244 50 G C 0.737 175.600 174.900 -0.062 0.000 1.022 50 G CA 0.440 45.496 45.100 -0.074 0.000 0.741 50 G HN 0.548 nan 8.290 nan 0.000 0.508 51 K N 0.099 120.432 120.400 -0.111 0.000 2.001 51 K HA -0.012 4.309 4.320 0.002 0.000 0.208 51 K C 2.686 179.213 176.600 -0.121 0.000 1.048 51 K CA 1.566 57.758 56.287 -0.158 0.000 0.932 51 K CB -0.277 32.111 32.500 -0.186 0.000 0.715 51 K HN 0.312 nan 8.250 nan 0.000 0.437 52 S N 0.560 116.211 115.700 -0.082 0.000 2.368 52 S HA -0.189 4.282 4.470 0.002 0.000 0.225 52 S C 1.766 176.416 174.600 0.083 0.000 1.030 52 S CA 1.236 59.409 58.200 -0.046 0.000 0.999 52 S CB -0.399 62.792 63.200 -0.015 0.000 0.844 52 S HN 0.327 nan 8.310 nan 0.000 0.459 53 Y N 1.913 122.191 120.300 -0.036 0.000 2.128 53 Y HA -0.147 4.404 4.550 0.002 0.000 0.284 53 Y C 2.087 177.992 175.900 0.008 0.000 1.154 53 Y CA 1.309 59.408 58.100 -0.001 0.000 1.149 53 Y CB -0.528 37.914 38.460 -0.030 0.000 0.976 53 Y HN 0.197 nan 8.280 nan 0.000 0.505 54 L N -0.353 120.832 121.223 -0.064 0.000 2.093 54 L HA -0.186 4.155 4.340 0.002 0.000 0.208 54 L C 2.040 178.851 176.870 -0.099 0.000 1.085 54 L CA 1.684 56.403 54.840 -0.202 0.000 0.755 54 L CB -0.724 41.147 42.059 -0.314 0.000 0.904 54 L HN 0.241 nan 8.230 nan 0.000 0.435 55 M N -0.563 119.022 119.600 -0.026 0.000 2.213 55 M HA -0.143 4.338 4.480 0.002 0.000 0.263 55 M C 1.851 178.300 176.300 0.249 0.000 1.062 55 M CA 1.090 56.450 55.300 0.099 0.000 1.105 55 M CB -1.483 31.109 32.600 -0.012 0.000 1.385 55 M HN 0.338 nan 8.290 nan 0.000 0.417 56 N N 0.457 119.290 118.700 0.223 0.000 2.309 56 N HA -0.099 4.642 4.740 0.002 0.000 0.182 56 N C 1.534 177.074 175.510 0.050 0.000 1.018 56 N CA 0.794 53.979 53.050 0.226 0.000 0.876 56 N CB -0.131 38.456 38.487 0.167 0.000 0.972 56 N HN 0.285 nan 8.380 nan 0.000 0.434 57 K N 0.917 121.280 120.400 -0.062 0.000 2.097 57 K HA 0.033 4.355 4.320 0.002 0.000 0.205 57 K C 2.049 178.656 176.600 0.012 0.000 1.050 57 K CA 0.383 56.626 56.287 -0.074 0.000 0.938 57 K CB -0.418 31.999 32.500 -0.137 0.000 0.718 57 K HN 0.265 nan 8.250 nan 0.000 0.442 58 L N 0.503 121.752 121.223 0.044 0.000 2.141 58 L HA -0.087 4.254 4.340 0.002 0.000 0.209 58 L C 2.291 179.220 176.870 0.098 0.000 1.094 58 L CA 0.856 55.746 54.840 0.082 0.000 0.763 58 L CB -0.438 41.651 42.059 0.051 0.000 0.908 58 L HN 0.072 nan 8.230 nan 0.000 0.437 59 A N -0.322 122.477 122.820 -0.034 0.000 2.167 59 A HA 0.148 4.469 4.320 0.002 0.000 0.214 59 A C 1.721 179.181 177.584 -0.206 0.000 1.151 59 A CA 0.763 52.618 52.037 -0.304 0.000 0.735 59 A CB -0.575 18.056 19.000 -0.615 0.000 0.802 59 A HN 0.493 nan 8.150 nan 0.000 0.467 60 G N -0.584 108.186 108.800 -0.050 0.000 2.273 60 G HA2 -0.264 3.697 3.960 0.002 0.000 0.280 60 G HA3 -0.264 3.697 3.960 0.002 0.000 0.280 60 G C -0.029 174.853 174.900 -0.030 0.000 1.047 60 G CA 0.919 46.005 45.100 -0.023 0.000 0.869 60 G HN 0.648 nan 8.290 nan 0.000 0.502 61 K N -0.929 119.471 120.400 0.001 0.000 2.546 61 K HA 0.400 4.721 4.320 0.002 0.000 0.264 61 K C -0.170 176.490 176.600 0.100 0.000 0.937 61 K CA -1.045 55.276 56.287 0.057 0.000 0.833 61 K CB 1.975 34.533 32.500 0.097 0.000 1.378 61 K HN 0.131 nan 8.250 nan 0.000 0.432 62 K N 1.678 122.128 120.400 0.084 0.000 2.118 62 K HA 0.283 4.604 4.320 0.002 0.000 0.264 62 K C -0.964 175.690 176.600 0.091 0.000 1.000 62 K CA -0.586 55.749 56.287 0.079 0.000 0.929 62 K CB 0.501 33.039 32.500 0.062 0.000 1.021 62 K HN 0.407 nan 8.250 nan 0.000 0.463 63 K N 0.051 120.490 120.400 0.064 0.000 6.281 63 K HA -0.168 4.153 4.320 0.002 0.000 0.629 63 K C -0.234 176.356 176.600 -0.015 0.000 1.517 63 K CA 0.849 57.145 56.287 0.015 0.000 1.607 63 K CB -1.406 31.100 32.500 0.011 0.000 1.837 63 K HN 1.012 nan 8.250 nan 0.000 0.354 64 G N 0.832 109.567 108.800 -0.108 0.000 3.508 64 G HA2 0.464 4.425 3.960 0.002 0.000 0.172 64 G HA3 0.464 4.425 3.960 0.002 0.000 0.172 64 G C -0.924 173.696 174.900 -0.467 0.000 1.231 64 G CA -0.830 44.007 45.100 -0.438 0.000 1.218 64 G HN 0.182 nan 8.290 nan 0.000 0.709 65 F N 2.886 122.744 119.950 -0.153 0.000 2.529 65 F HA 0.360 4.888 4.527 0.002 0.000 0.365 65 F C 1.527 177.215 175.800 -0.187 0.000 1.102 65 F CA -0.006 57.877 58.000 -0.195 0.000 1.271 65 F CB 0.959 39.909 39.000 -0.084 0.000 1.120 65 F HN 0.279 nan 8.300 nan 0.000 0.579 66 S N 4.240 119.890 115.700 -0.084 0.000 2.562 66 S HA 0.459 4.930 4.470 0.002 0.000 0.281 66 S C -0.494 174.007 174.600 -0.166 0.000 1.333 66 S CA -0.948 57.204 58.200 -0.079 0.000 1.052 66 S CB 0.481 63.708 63.200 0.045 0.000 0.884 66 S HN 0.513 nan 8.310 nan 0.000 0.506 67 L N 2.185 123.217 121.223 -0.318 0.000 2.344 67 L HA 0.716 5.057 4.340 0.002 0.000 0.272 67 L C 1.036 177.415 176.870 -0.819 0.000 1.035 67 L CA -0.859 53.746 54.840 -0.392 0.000 0.807 67 L CB 1.292 43.257 42.059 -0.157 0.000 1.237 67 L HN 0.917 nan 8.230 nan 0.000 0.442 68 G N 0.244 108.719 108.800 -0.542 0.000 2.828 68 G HA2 0.567 4.528 3.960 0.002 0.000 0.244 68 G HA3 0.567 4.528 3.960 0.002 0.000 0.244 68 G C -0.355 174.458 174.900 -0.145 0.000 1.365 68 G CA -0.215 44.679 45.100 -0.343 0.000 1.041 68 G HN 0.659 nan 8.290 nan 0.000 0.560 69 S N -2.174 113.501 115.700 -0.042 0.000 2.719 69 S HA 0.427 4.898 4.470 0.002 0.000 0.285 69 S C 0.880 175.463 174.600 -0.029 0.000 1.137 69 S CA 0.177 58.355 58.200 -0.036 0.000 1.012 69 S CB 1.239 64.436 63.200 -0.005 0.000 1.134 69 S HN 0.341 nan 8.310 nan 0.000 0.544 70 T N 0.536 115.067 114.554 -0.039 0.000 3.129 70 T HA 0.135 4.486 4.350 0.002 0.000 0.251 70 T C 1.216 175.904 174.700 -0.021 0.000 1.117 70 T CA 0.685 62.754 62.100 -0.052 0.000 1.034 70 T CB -0.393 68.432 68.868 -0.072 0.000 0.968 70 T HN 0.751 nan 8.240 nan 0.000 0.526 71 V N -2.243 117.688 119.914 0.027 0.000 3.485 71 V HA 0.436 4.557 4.120 0.002 0.000 0.280 71 V C 0.148 176.341 176.094 0.164 0.000 1.495 71 V CA -0.441 61.902 62.300 0.072 0.000 1.018 71 V CB 0.119 31.970 31.823 0.046 0.000 0.818 71 V HN 0.227 nan 8.190 nan 0.000 0.436 72 Q N 1.779 121.672 119.800 0.155 0.000 2.365 72 Q HA 0.594 4.935 4.340 0.002 0.000 0.269 72 Q C -0.060 176.061 176.000 0.201 0.000 1.061 72 Q CA -0.166 55.731 55.803 0.157 0.000 0.816 72 Q CB 2.443 31.232 28.738 0.086 0.000 1.325 72 Q HN 0.643 nan 8.270 nan 0.000 0.446 73 S N 1.337 117.101 115.700 0.106 0.000 2.584 73 S HA 0.093 4.564 4.470 0.002 0.000 0.270 73 S C 0.011 174.681 174.600 0.117 0.000 1.346 73 S CA 0.200 58.456 58.200 0.092 0.000 1.018 73 S CB 1.310 64.400 63.200 -0.183 0.000 0.899 73 S HN 0.923 nan 8.310 nan 0.000 0.542 74 H N 0.723 119.799 119.070 0.010 0.000 2.010 74 H HA 0.275 4.832 4.556 0.002 0.000 0.175 74 H C 0.131 175.430 175.328 -0.047 0.000 0.966 74 H CA 0.694 56.727 56.048 -0.025 0.000 1.080 74 H CB -0.018 29.722 29.762 -0.037 0.000 1.072 74 H HN 0.666 nan 8.280 nan 0.000 0.373 75 T N 3.473 118.029 114.554 0.004 0.000 2.928 75 T HA 0.232 4.583 4.350 0.002 0.000 0.305 75 T C -0.523 174.169 174.700 -0.014 0.000 1.035 75 T CA -0.049 61.998 62.100 -0.088 0.000 1.145 75 T CB 0.519 69.344 68.868 -0.071 0.000 0.963 75 T HN 0.143 nan 8.240 nan 0.000 0.545 76 K N 1.855 122.298 120.400 0.072 0.000 2.371 76 K HA 0.656 4.977 4.320 0.002 0.000 0.251 76 K C 0.734 177.497 176.600 0.272 0.000 0.934 76 K CA -0.368 56.003 56.287 0.141 0.000 0.798 76 K CB 1.856 34.420 32.500 0.107 0.000 1.204 76 K HN 0.880 nan 8.250 nan 0.000 0.427 77 G N 2.037 110.944 108.800 0.178 0.000 2.569 77 G HA2 -0.276 3.685 3.960 0.002 0.000 0.259 77 G HA3 -0.276 3.685 3.960 0.002 0.000 0.259 77 G C -0.510 174.515 174.900 0.208 0.000 1.263 77 G CA -0.370 44.827 45.100 0.161 0.000 0.928 77 G HN 0.525 nan 8.290 nan 0.000 0.572 78 I N -0.494 120.175 120.570 0.165 0.000 2.436 78 I HA 0.489 4.660 4.170 0.002 0.000 0.289 78 I C -0.691 175.536 176.117 0.183 0.000 1.010 78 I CA -0.465 60.946 61.300 0.186 0.000 1.098 78 I CB 1.702 39.766 38.000 0.108 0.000 1.266 78 I HN 0.474 nan 8.210 nan 0.000 0.434 79 W N 7.079 128.422 121.300 0.072 0.000 2.578 79 W HA 0.677 5.338 4.660 0.002 0.000 0.346 79 W C -0.023 176.656 176.519 0.267 0.000 1.075 79 W CA -0.648 56.802 57.345 0.175 0.000 1.233 79 W CB 1.483 31.109 29.460 0.278 0.000 1.358 79 W HN 0.279 nan 8.180 nan 0.000 0.574 80 M N 1.649 121.527 119.600 0.464 0.000 2.591 80 M HA 0.718 5.199 4.480 0.002 0.000 0.306 80 M C -1.740 174.870 176.300 0.516 0.000 1.190 80 M CA -0.625 54.940 55.300 0.443 0.000 0.889 80 M CB 3.140 35.882 32.600 0.236 0.000 1.728 80 M HN 0.456 nan 8.290 nan 0.000 0.458 81 W N 3.086 124.549 121.300 0.271 0.000 2.934 81 W HA 0.593 5.254 4.660 0.002 0.000 0.333 81 W C -2.342 174.230 176.519 0.089 0.000 1.035 81 W CA -1.390 56.011 57.345 0.095 0.000 1.256 81 W CB 1.686 31.085 29.460 -0.101 0.000 1.306 81 W HN 0.900 nan 8.180 nan 0.000 0.430 82 C N 6.469 125.959 119.300 0.317 0.000 2.265 82 C HA 0.721 5.182 4.460 0.002 0.000 0.332 82 C C 0.665 175.637 174.990 -0.031 0.000 1.248 82 C CA -0.574 58.508 59.018 0.106 0.000 1.727 82 C CB -0.757 27.050 27.740 0.112 0.000 2.348 82 C HN 0.363 nan 8.230 nan 0.000 0.519 83 V N 2.047 121.859 119.914 -0.171 0.000 3.001 83 V HA 0.789 4.910 4.120 0.002 0.000 0.314 83 V C -2.746 173.255 176.094 -0.154 0.000 1.099 83 V CA -2.432 59.717 62.300 -0.252 0.000 0.989 83 V CB 1.811 33.319 31.823 -0.525 0.000 1.040 83 V HN 0.621 nan 8.190 nan 0.000 0.434 84 P HA 0.090 nan 4.420 nan 0.000 0.271 84 P C -0.652 176.582 177.300 -0.110 0.000 1.216 84 P CA 0.213 63.266 63.100 -0.079 0.000 0.776 84 P CB 0.266 31.923 31.700 -0.072 0.000 0.881 85 H N 6.001 124.994 119.070 -0.128 0.000 2.899 85 H HA 0.067 4.625 4.556 0.002 0.000 0.303 85 H C -1.162 174.007 175.328 -0.264 0.000 1.042 85 H CA -1.455 54.482 56.048 -0.184 0.000 1.479 85 H CB 0.692 30.401 29.762 -0.088 0.000 1.493 85 H HN 0.306 nan 8.280 nan 0.000 0.534 86 P HA -0.065 nan 4.420 nan 0.000 0.230 86 P C 0.524 177.718 177.300 -0.177 0.000 1.158 86 P CA 0.819 63.703 63.100 -0.361 0.000 0.769 86 P CB 0.677 31.932 31.700 -0.741 0.000 0.807 87 K N -0.642 119.795 120.400 0.063 0.000 2.481 87 K HA 0.220 4.541 4.320 0.002 0.000 0.210 87 K C 0.356 176.886 176.600 -0.117 0.000 1.161 87 K CA 0.175 56.464 56.287 0.003 0.000 1.023 87 K CB 1.288 33.826 32.500 0.063 0.000 0.971 87 K HN 0.201 nan 8.250 nan 0.000 0.577 88 K N 2.588 122.852 120.400 -0.226 0.000 2.579 88 K HA 0.252 4.573 4.320 0.002 0.000 0.225 88 K C -2.702 173.816 176.600 -0.136 0.000 0.992 88 K CA -1.603 54.442 56.287 -0.402 0.000 1.018 88 K CB 2.071 33.993 32.500 -0.962 0.000 1.249 88 K HN -0.097 nan 8.250 nan 0.000 0.489 89 P HA -0.062 nan 4.420 nan 0.000 0.267 89 P C 0.700 178.060 177.300 0.100 0.000 1.200 89 P CA 0.837 63.945 63.100 0.014 0.000 0.772 89 P CB 0.943 32.638 31.700 -0.008 0.000 0.855 90 G N 0.930 109.769 108.800 0.065 0.000 2.179 90 G HA2 -0.198 3.763 3.960 0.002 0.000 0.260 90 G HA3 -0.198 3.763 3.960 0.002 0.000 0.260 90 G C -0.066 174.804 174.900 -0.050 0.000 0.977 90 G CA 0.210 45.323 45.100 0.022 0.000 0.641 90 G HN 0.727 nan 8.290 nan 0.000 0.533 91 H N -0.662 118.380 119.070 -0.048 0.000 2.621 91 H HA 0.748 5.305 4.556 0.002 0.000 0.360 91 H C -0.020 175.324 175.328 0.026 0.000 1.163 91 H CA -0.815 55.215 56.048 -0.030 0.000 1.194 91 H CB 1.334 31.035 29.762 -0.101 0.000 1.649 91 H HN 0.092 nan 8.280 nan 0.000 0.532 92 I N 2.406 123.058 120.570 0.137 0.000 2.474 92 I HA 0.138 4.309 4.170 0.002 0.000 0.294 92 I C -0.662 175.533 176.117 0.131 0.000 1.005 92 I CA -0.793 60.565 61.300 0.095 0.000 1.113 92 I CB 1.604 39.629 38.000 0.042 0.000 1.289 92 I HN 0.340 nan 8.210 nan 0.000 0.436 93 L N 7.986 129.246 121.223 0.061 0.000 2.257 93 L HA 0.453 4.794 4.340 0.002 0.000 0.290 93 L C -0.633 176.249 176.870 0.020 0.000 1.044 93 L CA -0.199 54.654 54.840 0.022 0.000 0.810 93 L CB 1.163 43.125 42.059 -0.161 0.000 1.193 93 L HN 0.277 nan 8.230 nan 0.000 0.425 94 V N 6.956 126.915 119.914 0.074 0.000 2.350 94 V HA 0.372 4.493 4.120 0.002 0.000 0.276 94 V C 0.132 176.312 176.094 0.142 0.000 1.028 94 V CA -0.526 61.840 62.300 0.111 0.000 0.860 94 V CB 1.202 33.093 31.823 0.115 0.000 0.990 94 V HN 0.578 nan 8.190 nan 0.000 0.453 95 L N 6.458 127.814 121.223 0.223 0.000 2.282 95 L HA 0.567 4.908 4.340 0.002 0.000 0.288 95 L C -0.577 176.494 176.870 0.335 0.000 1.033 95 L CA -0.366 54.645 54.840 0.285 0.000 0.807 95 L CB 1.298 43.621 42.059 0.440 0.000 1.209 95 L HN 0.425 nan 8.230 nan 0.000 0.423 96 L N 3.177 124.490 121.223 0.151 0.000 2.298 96 L HA 0.419 4.760 4.340 0.002 0.000 0.284 96 L C -0.686 176.129 176.870 -0.092 0.000 1.013 96 L CA -0.481 54.417 54.840 0.097 0.000 0.824 96 L CB 1.785 43.894 42.059 0.084 0.000 1.221 96 L HN 0.501 nan 8.230 nan 0.000 0.418 97 D N 2.220 122.484 120.400 -0.227 0.000 2.168 97 D HA 0.500 5.141 4.640 0.002 0.000 0.246 97 D C -0.330 175.897 176.300 -0.121 0.000 1.050 97 D CA -0.004 53.742 54.000 -0.422 0.000 0.857 97 D CB 1.736 41.894 40.800 -1.071 0.000 1.169 97 D HN 0.541 nan 8.370 nan 0.000 0.453 98 T N -0.085 114.400 114.554 -0.115 0.000 2.924 98 T HA 0.441 4.793 4.350 0.002 0.000 0.291 98 T C 0.046 174.744 174.700 -0.002 0.000 1.045 98 T CA -1.018 61.074 62.100 -0.013 0.000 1.015 98 T CB 1.265 70.120 68.868 -0.023 0.000 1.103 98 T HN 0.375 nan 8.240 nan 0.000 0.496 99 E N 0.602 120.834 120.200 0.053 0.000 2.415 99 E HA 0.341 4.692 4.350 0.002 0.000 0.263 99 E C 0.781 177.405 176.600 0.040 0.000 0.995 99 E CA -0.379 56.053 56.400 0.052 0.000 0.915 99 E CB -0.022 29.721 29.700 0.073 0.000 0.951 99 E HN 0.895 nan 8.360 nan 0.000 0.449 100 G N 4.608 113.443 108.800 0.058 0.000 2.380 100 G HA2 0.134 4.095 3.960 0.002 0.000 0.242 100 G HA3 0.134 4.095 3.960 0.002 0.000 0.242 100 G C 0.042 175.011 174.900 0.114 0.000 1.298 100 G CA -0.478 44.683 45.100 0.101 0.000 0.878 100 G HN 0.514 nan 8.290 nan 0.000 0.542 101 L N 1.448 122.729 121.223 0.096 0.000 2.464 101 L HA 0.460 4.801 4.340 0.002 0.000 0.264 101 L C 1.304 178.308 176.870 0.223 0.000 1.199 101 L CA -0.259 54.621 54.840 0.067 0.000 0.818 101 L CB 0.582 42.625 42.059 -0.027 0.000 1.102 101 L HN 0.606 nan 8.230 nan 0.000 0.473 102 G N -0.453 108.479 108.800 0.221 0.000 2.509 102 G HA2 0.273 4.234 3.960 0.002 0.000 0.328 102 G HA3 0.273 4.234 3.960 0.002 0.000 0.328 102 G C -1.305 173.779 174.900 0.306 0.000 1.194 102 G CA -0.373 44.894 45.100 0.279 0.000 0.967 102 G HN 0.569 nan 8.290 nan 0.000 0.488 103 D N 0.618 121.175 120.400 0.261 0.000 2.374 103 D HA 0.114 4.755 4.640 0.002 0.000 0.240 103 D C 1.708 178.102 176.300 0.156 0.000 1.229 103 D CA -0.424 53.699 54.000 0.206 0.000 0.895 103 D CB 1.116 42.011 40.800 0.158 0.000 1.046 103 D HN -0.039 nan 8.370 nan 0.000 0.498 104 V N 4.384 124.386 119.914 0.146 0.000 2.357 104 V HA -0.299 3.823 4.120 0.002 0.000 0.257 104 V C 1.625 177.735 176.094 0.026 0.000 1.082 104 V CA 1.955 64.292 62.300 0.062 0.000 1.078 104 V CB -0.542 31.239 31.823 -0.071 0.000 0.663 104 V HN 0.660 nan 8.190 nan 0.000 0.455 105 E N -0.517 119.695 120.200 0.020 0.000 2.401 105 E HA -0.102 4.249 4.350 0.002 0.000 0.203 105 E C 1.238 177.856 176.600 0.030 0.000 1.229 105 E CA 0.236 56.642 56.400 0.008 0.000 1.000 105 E CB -0.134 29.572 29.700 0.009 0.000 1.052 105 E HN 0.638 nan 8.360 nan 0.000 0.497 106 K N -1.132 119.295 120.400 0.044 0.000 2.589 106 K HA 0.165 4.486 4.320 0.002 0.000 0.218 106 K C 0.747 177.372 176.600 0.043 0.000 1.468 106 K CA 0.211 56.528 56.287 0.049 0.000 1.002 106 K CB 1.575 34.118 32.500 0.073 0.000 1.200 106 K HN 0.203 nan 8.250 nan 0.000 0.614 107 G N 3.285 112.112 108.800 0.045 0.000 2.593 107 G HA2 -0.344 3.617 3.960 0.002 0.000 0.237 107 G HA3 -0.344 3.617 3.960 0.002 0.000 0.237 107 G C -0.558 174.377 174.900 0.058 0.000 1.312 107 G CA 0.330 45.456 45.100 0.043 0.000 0.896 107 G HN 0.570 nan 8.290 nan 0.000 0.574 108 D N -1.645 118.785 120.400 0.050 0.000 3.819 108 D HA -0.061 4.580 4.640 0.002 0.000 0.273 108 D C 0.314 176.657 176.300 0.071 0.000 2.114 108 D CA 1.604 55.636 54.000 0.052 0.000 1.109 108 D CB -1.125 39.696 40.800 0.035 0.000 0.950 108 D HN 2.222 nan 8.370 nan 0.000 1.132 109 N N -1.035 117.702 118.700 0.062 0.000 2.696 109 N HA -0.174 4.568 4.740 0.002 0.000 0.256 109 N C 0.414 175.987 175.510 0.105 0.000 1.031 109 N CA 1.282 54.376 53.050 0.074 0.000 0.730 109 N CB -1.265 37.269 38.487 0.078 0.000 0.894 109 N HN 0.544 nan 8.380 nan 0.000 0.544 110 Q N 0.170 120.032 119.800 0.103 0.000 2.062 110 Q HA -0.106 4.235 4.340 0.002 0.000 0.209 110 Q C 1.038 177.139 176.000 0.168 0.000 0.996 110 Q CA 1.726 57.605 55.803 0.128 0.000 0.859 110 Q CB -0.134 28.680 28.738 0.127 0.000 0.920 110 Q HN 0.515 nan 8.270 nan 0.000 0.415 111 N N 0.631 119.445 118.700 0.189 0.000 2.434 111 N HA -0.036 4.705 4.740 0.002 0.000 0.196 111 N C 0.093 175.725 175.510 0.203 0.000 1.183 111 N CA 0.271 53.481 53.050 0.267 0.000 0.849 111 N CB 0.159 38.807 38.487 0.269 0.000 0.992 111 N HN 0.234 nan 8.380 nan 0.000 0.460 112 D N 0.367 120.845 120.400 0.130 0.000 2.106 112 D HA -0.147 4.494 4.640 0.002 0.000 0.191 112 D C 1.829 178.133 176.300 0.007 0.000 0.997 112 D CA 1.102 55.122 54.000 0.033 0.000 0.834 112 D CB -0.255 40.551 40.800 0.011 0.000 0.956 112 D HN 0.081 nan 8.370 nan 0.000 0.448 113 S N -1.134 114.611 115.700 0.076 0.000 2.383 113 S HA -0.156 4.315 4.470 0.002 0.000 0.229 113 S C 1.930 176.543 174.600 0.022 0.000 1.030 113 S CA 1.190 59.409 58.200 0.031 0.000 1.002 113 S CB -0.417 62.706 63.200 -0.128 0.000 0.829 113 S HN 0.413 nan 8.310 nan 0.000 0.467 114 W N 0.964 122.349 121.300 0.142 0.000 2.418 114 W HA 0.052 4.713 4.660 0.002 0.000 0.292 114 W C 2.085 178.667 176.519 0.104 0.000 1.213 114 W CA -0.229 57.181 57.345 0.109 0.000 1.283 114 W CB -0.139 29.372 29.460 0.086 0.000 1.119 114 W HN 0.272 nan 8.180 nan 0.000 0.542 115 I N -0.470 120.301 120.570 0.335 0.000 2.179 115 I HA -0.300 3.871 4.170 0.002 0.000 0.242 115 I C 2.175 178.426 176.117 0.225 0.000 1.088 115 I CA 1.590 63.026 61.300 0.226 0.000 1.357 115 I CB -1.734 36.362 38.000 0.160 0.000 1.051 115 I HN 0.008 nan 8.210 nan 0.000 0.409 116 F N 1.778 121.775 119.950 0.077 0.000 2.095 116 F HA -0.248 4.280 4.527 0.002 0.000 0.298 116 F C 2.578 178.439 175.800 0.102 0.000 1.104 116 F CA 2.030 60.098 58.000 0.113 0.000 1.232 116 F CB -0.184 38.839 39.000 0.039 0.000 0.987 116 F HN 0.047 nan 8.300 nan 0.000 0.475 117 A N 0.207 123.215 122.820 0.314 0.000 1.902 117 A HA -0.153 4.168 4.320 0.002 0.000 0.217 117 A C 2.246 179.833 177.584 0.006 0.000 1.181 117 A CA 1.738 53.853 52.037 0.130 0.000 0.623 117 A CB -1.165 17.963 19.000 0.212 0.000 0.818 117 A HN 0.486 nan 8.150 nan 0.000 0.443 118 L N -0.832 120.448 121.223 0.095 0.000 2.083 118 L HA -0.200 4.141 4.340 0.002 0.000 0.209 118 L C 3.099 179.978 176.870 0.015 0.000 1.083 118 L CA 1.002 55.863 54.840 0.035 0.000 0.752 118 L CB -0.493 41.627 42.059 0.102 0.000 0.899 118 L HN 0.450 nan 8.230 nan 0.000 0.433 119 A N -0.470 122.379 122.820 0.049 0.000 1.933 119 A HA -0.157 4.164 4.320 0.002 0.000 0.218 119 A C 2.315 179.932 177.584 0.055 0.000 1.175 119 A CA 1.815 53.909 52.037 0.096 0.000 0.628 119 A CB -0.764 18.331 19.000 0.157 0.000 0.814 119 A HN 0.209 nan 8.150 nan 0.000 0.444 120 V N -0.017 119.767 119.914 -0.216 0.000 2.307 120 V HA -0.230 3.891 4.120 0.002 0.000 0.245 120 V C 2.534 178.397 176.094 -0.384 0.000 1.045 120 V CA 1.902 63.858 62.300 -0.573 0.000 1.024 120 V CB -0.709 30.514 31.823 -1.001 0.000 0.651 120 V HN 0.571 nan 8.190 nan 0.000 0.449 121 L N -0.759 120.293 121.223 -0.285 0.000 2.141 121 L HA -0.115 4.226 4.340 0.002 0.000 0.209 121 L C 2.158 179.047 176.870 0.031 0.000 1.094 121 L CA 1.325 56.063 54.840 -0.169 0.000 0.763 121 L CB -0.336 41.460 42.059 -0.438 0.000 0.908 121 L HN 0.314 nan 8.230 nan 0.000 0.437 122 L N -1.241 120.013 121.223 0.051 0.000 2.529 122 L HA 0.076 4.417 4.340 0.002 0.000 0.223 122 L C 1.323 178.255 176.870 0.104 0.000 1.113 122 L CA -0.203 54.708 54.840 0.118 0.000 0.861 122 L CB -0.115 42.017 42.059 0.123 0.000 1.012 122 L HN 0.235 nan 8.230 nan 0.000 0.461 123 S N -2.205 113.549 115.700 0.089 0.000 2.687 123 S HA 0.351 4.822 4.470 0.002 0.000 0.283 123 S C 0.807 175.477 174.600 0.117 0.000 1.170 123 S CA -0.547 57.719 58.200 0.112 0.000 1.008 123 S CB 2.055 65.345 63.200 0.150 0.000 1.026 123 S HN -0.001 nan 8.310 nan 0.000 0.541 124 S N 0.264 116.038 115.700 0.123 0.000 2.468 124 S HA 0.243 4.714 4.470 0.002 0.000 0.226 124 S C 0.190 174.880 174.600 0.150 0.000 1.051 124 S CA 0.207 58.482 58.200 0.125 0.000 0.943 124 S CB 0.083 63.348 63.200 0.108 0.000 0.810 124 S HN 0.839 nan 8.310 nan 0.000 0.509 125 T N 1.763 116.407 114.554 0.149 0.000 2.881 125 T HA 0.516 4.867 4.350 0.002 0.000 0.290 125 T C -1.706 173.105 174.700 0.186 0.000 1.000 125 T CA -0.374 61.828 62.100 0.171 0.000 0.978 125 T CB 1.432 70.370 68.868 0.118 0.000 0.997 125 T HN 0.161 nan 8.240 nan 0.000 0.443 126 F N 4.281 124.236 119.950 0.009 0.000 2.375 126 F HA 0.619 5.147 4.527 0.002 0.000 0.361 126 F C -0.739 174.921 175.800 -0.234 0.000 1.117 126 F CA -0.841 57.100 58.000 -0.098 0.000 1.037 126 F CB 0.796 39.767 39.000 -0.047 0.000 1.192 126 F HN 0.260 nan 8.300 nan 0.000 0.452 127 V N 7.535 127.113 119.914 -0.560 0.000 2.350 127 V HA 0.135 4.256 4.120 0.002 0.000 0.276 127 V C -0.871 174.770 176.094 -0.754 0.000 1.028 127 V CA -0.770 61.227 62.300 -0.505 0.000 0.860 127 V CB 0.675 32.374 31.823 -0.205 0.000 0.990 127 V HN 0.623 nan 8.190 nan 0.000 0.453 128 Y N 5.275 125.052 120.300 -0.872 0.000 2.367 128 Y HA 0.501 5.052 4.550 0.002 0.000 0.342 128 Y C 0.101 175.720 175.900 -0.469 0.000 0.979 128 Y CA -0.657 56.997 58.100 -0.743 0.000 1.161 128 Y CB 1.077 39.041 38.460 -0.827 0.000 1.155 128 Y HN 0.737 nan 8.280 nan 0.000 0.503 129 N N 3.529 121.674 118.700 -0.926 0.000 2.372 129 N HA 0.589 5.330 4.740 0.002 0.000 0.291 129 N C -1.526 173.651 175.510 -0.554 0.000 1.024 129 N CA -0.244 52.474 53.050 -0.554 0.000 0.873 129 N CB 1.044 39.273 38.487 -0.428 0.000 1.206 129 N HN 0.627 nan 8.380 nan 0.000 0.486 130 S N 2.310 117.929 115.700 -0.134 0.000 2.607 130 S HA 0.581 5.052 4.470 0.002 0.000 0.273 130 S C -0.882 173.784 174.600 0.111 0.000 1.148 130 S CA -0.921 57.295 58.200 0.026 0.000 0.833 130 S CB 0.712 64.107 63.200 0.325 0.000 1.130 130 S HN 0.408 nan 8.310 nan 0.000 0.470 131 I N 2.004 122.628 120.570 0.090 0.000 2.359 131 I HA 0.644 4.815 4.170 0.002 0.000 0.294 131 I C 1.052 177.249 176.117 0.133 0.000 0.987 131 I CA 0.501 61.850 61.300 0.082 0.000 1.225 131 I CB 0.956 38.961 38.000 0.007 0.000 1.366 131 I HN 1.289 nan 8.210 nan 0.000 0.466 132 G N 4.646 113.540 108.800 0.157 0.000 2.516 132 G HA2 -0.154 3.807 3.960 0.002 0.000 0.220 132 G HA3 -0.154 3.807 3.960 0.002 0.000 0.220 132 G C -0.219 174.831 174.900 0.249 0.000 1.165 132 G CA -0.140 45.048 45.100 0.148 0.000 1.013 132 G HN 0.781 nan 8.290 nan 0.000 0.590 133 T N -1.802 112.871 114.554 0.199 0.000 2.841 133 T HA 0.744 5.095 4.350 0.002 0.000 0.276 133 T C 0.271 175.111 174.700 0.233 0.000 1.003 133 T CA -0.425 61.847 62.100 0.286 0.000 0.995 133 T CB 1.758 70.727 68.868 0.169 0.000 1.260 133 T HN 0.971 nan 8.240 nan 0.000 0.581 134 I N 3.297 124.000 120.570 0.222 0.000 2.316 134 I HA 0.311 4.483 4.170 0.002 0.000 0.286 134 I C -0.159 175.997 176.117 0.065 0.000 1.107 134 I CA -0.743 60.561 61.300 0.007 0.000 1.219 134 I CB -0.580 37.203 38.000 -0.361 0.000 1.455 134 I HN 0.626 nan 8.210 nan 0.000 0.498 135 N N 3.481 122.248 118.700 0.112 0.000 2.906 135 N HA 0.180 4.921 4.740 0.002 0.000 0.327 135 N C 0.622 176.188 175.510 0.092 0.000 1.344 135 N CA -0.843 52.268 53.050 0.102 0.000 0.823 135 N CB 0.378 38.930 38.487 0.109 0.000 1.351 135 N HN 0.327 nan 8.380 nan 0.000 0.604 136 Q N -0.837 119.023 119.800 0.100 0.000 2.096 136 Q HA -0.257 4.084 4.340 0.002 0.000 0.204 136 Q C 1.664 177.715 176.000 0.085 0.000 0.982 136 Q CA 1.586 57.444 55.803 0.091 0.000 0.850 136 Q CB -0.081 28.725 28.738 0.113 0.000 0.901 136 Q HN 0.723 nan 8.270 nan 0.000 0.422 137 Q N -0.472 119.385 119.800 0.094 0.000 2.096 137 Q HA -0.212 4.129 4.340 0.002 0.000 0.204 137 Q C 1.893 177.974 176.000 0.135 0.000 0.982 137 Q CA 1.598 57.460 55.803 0.098 0.000 0.850 137 Q CB -0.199 28.594 28.738 0.091 0.000 0.901 137 Q HN 0.496 nan 8.270 nan 0.000 0.422 138 A N 0.488 123.413 122.820 0.176 0.000 1.898 138 A HA -0.142 4.179 4.320 0.002 0.000 0.216 138 A C 1.993 179.742 177.584 0.275 0.000 1.181 138 A CA 1.363 53.567 52.037 0.279 0.000 0.620 138 A CB -0.354 18.862 19.000 0.360 0.000 0.819 138 A HN 0.393 nan 8.150 nan 0.000 0.442 139 M N 0.156 119.863 119.600 0.178 0.000 2.296 139 M HA -0.077 4.404 4.480 0.002 0.000 0.265 139 M C 1.040 177.369 176.300 0.049 0.000 1.064 139 M CA 0.966 56.324 55.300 0.096 0.000 1.109 139 M CB -1.313 31.262 32.600 -0.042 0.000 1.396 139 M HN 0.337 nan 8.290 nan 0.000 0.430 140 D N 0.188 120.625 120.400 0.062 0.000 2.178 140 D HA -0.134 4.507 4.640 0.002 0.000 0.202 140 D C 1.988 178.319 176.300 0.052 0.000 0.974 140 D CA 0.928 54.951 54.000 0.038 0.000 0.841 140 D CB -0.066 40.755 40.800 0.034 0.000 0.953 140 D HN 0.331 nan 8.370 nan 0.000 0.478 141 Q N 0.014 119.879 119.800 0.109 0.000 2.369 141 Q HA 0.038 4.379 4.340 0.002 0.000 0.206 141 Q C 2.008 178.075 176.000 0.112 0.000 0.963 141 Q CA 0.147 56.046 55.803 0.160 0.000 0.894 141 Q CB -0.029 28.875 28.738 0.276 0.000 0.965 141 Q HN 0.389 nan 8.270 nan 0.000 0.475 142 L N 0.190 121.420 121.223 0.011 0.000 2.645 142 L HA -0.044 4.297 4.340 0.002 0.000 0.235 142 L C 1.614 178.413 176.870 -0.118 0.000 1.150 142 L CA -0.033 54.732 54.840 -0.124 0.000 0.911 142 L CB -0.366 41.582 42.059 -0.185 0.000 1.077 142 L HN 0.129 nan 8.230 nan 0.000 0.438 143 Y N -0.445 119.720 120.300 -0.225 0.000 2.333 143 Y HA -0.284 4.267 4.550 0.002 0.000 0.290 143 Y C 1.967 177.665 175.900 -0.337 0.000 1.144 143 Y CA 1.347 59.287 58.100 -0.266 0.000 1.228 143 Y CB -0.376 37.896 38.460 -0.312 0.000 0.985 143 Y HN 0.184 nan 8.280 nan 0.000 0.542 144 Y N -1.603 118.451 120.300 -0.409 0.000 2.315 144 Y HA -0.244 4.307 4.550 0.002 0.000 0.288 144 Y C 2.417 177.843 175.900 -0.790 0.000 1.154 144 Y CA 1.318 58.956 58.100 -0.771 0.000 1.229 144 Y CB -0.226 37.526 38.460 -1.180 0.000 0.980 144 Y HN -0.003 nan 8.280 nan 0.000 0.540 145 V N -1.276 118.440 119.914 -0.329 0.000 2.446 145 V HA -0.211 3.910 4.120 0.002 0.000 0.244 145 V C 2.080 178.181 176.094 0.011 0.000 1.039 145 V CA 2.123 64.448 62.300 0.042 0.000 1.045 145 V CB -0.728 31.186 31.823 0.152 0.000 0.681 145 V HN 0.381 nan 8.190 nan 0.000 0.459 146 T N -0.234 114.210 114.554 -0.183 0.000 2.759 146 T HA -0.257 4.094 4.350 0.002 0.000 0.269 146 T C 1.774 176.304 174.700 -0.283 0.000 1.042 146 T CA 1.795 63.782 62.100 -0.187 0.000 1.140 146 T CB -0.240 68.501 68.868 -0.210 0.000 0.864 146 T HN 0.601 nan 8.240 nan 0.000 0.455 147 E N 0.623 120.489 120.200 -0.558 0.000 2.472 147 E HA -0.018 4.333 4.350 0.002 0.000 0.200 147 E C 1.805 178.267 176.600 -0.230 0.000 1.046 147 E CA 0.197 56.302 56.400 -0.491 0.000 0.871 147 E CB -0.307 28.995 29.700 -0.664 0.000 0.806 147 E HN 0.487 nan 8.360 nan 0.000 0.533 148 L N 0.564 121.745 121.223 -0.069 0.000 2.191 148 L HA -0.158 4.183 4.340 0.002 0.000 0.212 148 L C 2.673 179.602 176.870 0.098 0.000 1.103 148 L CA 1.615 56.481 54.840 0.045 0.000 0.769 148 L CB -0.686 41.458 42.059 0.142 0.000 0.908 148 L HN 0.338 nan 8.230 nan 0.000 0.438 149 T N -4.667 109.895 114.554 0.014 0.000 3.051 149 T HA -0.154 4.197 4.350 0.002 0.000 0.269 149 T C 1.478 176.141 174.700 -0.063 0.000 1.127 149 T CA 0.872 62.945 62.100 -0.045 0.000 1.107 149 T CB -0.305 68.426 68.868 -0.228 0.000 0.898 149 T HN 0.371 nan 8.240 nan 0.000 0.517 150 H N 0.008 119.112 119.070 0.057 0.000 2.622 150 H HA 0.405 4.963 4.556 0.002 0.000 0.269 150 H C 1.863 177.201 175.328 0.017 0.000 0.977 150 H CA -0.027 56.036 56.048 0.025 0.000 1.179 150 H CB 0.364 30.112 29.762 -0.024 0.000 1.458 150 H HN 0.283 nan 8.280 nan 0.000 0.531 151 R N 0.097 120.657 120.500 0.101 0.000 2.287 151 R HA 0.327 4.669 4.340 0.002 0.000 0.197 151 R C 0.345 176.797 176.300 0.252 0.000 0.900 151 R CA 0.167 56.308 56.100 0.070 0.000 1.052 151 R CB 1.415 31.619 30.300 -0.161 0.000 1.117 151 R HN 0.138 nan 8.270 nan 0.000 0.568 152 I N 1.534 122.225 120.570 0.202 0.000 2.509 152 I HA 0.363 4.534 4.170 0.002 0.000 0.293 152 I C -0.272 176.033 176.117 0.312 0.000 1.020 152 I CA -0.779 60.642 61.300 0.201 0.000 1.088 152 I CB 2.227 40.250 38.000 0.038 0.000 1.267 152 I HN -0.276 nan 8.210 nan 0.000 0.430 153 R N 3.179 123.832 120.500 0.256 0.000 2.562 153 R HA 0.437 4.778 4.340 0.002 0.000 0.298 153 R C 0.326 176.767 176.300 0.235 0.000 0.961 153 R CA -0.477 55.765 56.100 0.238 0.000 0.881 153 R CB 2.121 32.513 30.300 0.154 0.000 1.159 153 R HN 0.621 nan 8.270 nan 0.000 0.450 154 S N 1.758 117.614 115.700 0.260 0.000 2.371 154 S HA 0.019 4.490 4.470 0.002 0.000 0.221 154 S C 0.237 174.855 174.600 0.029 0.000 1.036 154 S CA 0.950 59.259 58.200 0.182 0.000 0.965 154 S CB 0.229 63.612 63.200 0.304 0.000 0.845 154 S HN 0.439 nan 8.310 nan 0.000 0.475 155 K N 0.223 120.653 120.400 0.050 0.000 2.480 155 K HA 0.436 4.757 4.320 0.002 0.000 0.258 155 K C -0.150 176.472 176.600 0.036 0.000 0.990 155 K CA -0.227 56.075 56.287 0.026 0.000 0.857 155 K CB 1.873 34.384 32.500 0.019 0.000 1.384 155 K HN 0.120 nan 8.250 nan 0.000 0.446 156 S N -1.218 114.499 115.700 0.029 0.000 2.603 156 S HA 0.185 4.657 4.470 0.002 0.000 0.232 156 S C 0.315 174.929 174.600 0.024 0.000 1.016 156 S CA -0.435 57.785 58.200 0.032 0.000 0.976 156 S CB 0.361 63.582 63.200 0.035 0.000 0.921 156 S HN 0.323 nan 8.310 nan 0.000 0.516 166 E N -0.149 119.982 120.200 -0.115 0.000 2.568 166 E HA 0.104 4.455 4.350 0.002 0.000 0.220 166 E C 1.388 177.869 176.600 -0.198 0.000 0.869 166 E CA 0.386 56.706 56.400 -0.132 0.000 1.268 166 E CB 0.016 29.668 29.700 -0.079 0.000 1.252 166 E HN 0.348 nan 8.360 nan 0.000 0.606 167 D N 2.212 122.485 120.400 -0.212 0.000 2.178 167 D HA -0.148 4.493 4.640 0.002 0.000 0.201 167 D C 1.866 177.834 176.300 -0.553 0.000 0.980 167 D CA 1.832 55.685 54.000 -0.244 0.000 0.842 167 D CB 0.217 40.932 40.800 -0.142 0.000 0.948 167 D HN 0.262 nan 8.370 nan 0.000 0.472 168 S N 0.143 115.329 115.700 -0.856 0.000 2.469 168 S HA -0.006 4.465 4.470 0.002 0.000 0.238 168 S C 2.123 176.054 174.600 -1.116 0.000 0.998 168 S CA 0.815 57.954 58.200 -1.769 0.000 0.957 168 S CB -0.198 62.185 63.200 -1.361 0.000 0.764 168 S HN 0.318 nan 8.310 nan 0.000 0.514 169 A N 1.529 124.024 122.820 -0.542 0.000 2.121 169 A HA -0.015 4.306 4.320 0.002 0.000 0.218 169 A C 1.539 178.967 177.584 -0.260 0.000 1.154 169 A CA 1.397 53.254 52.037 -0.300 0.000 0.679 169 A CB -0.512 18.384 19.000 -0.173 0.000 0.795 169 A HN 0.502 nan 8.150 nan 0.000 0.458 170 D N -1.536 118.692 120.400 -0.287 0.000 2.354 170 D HA 0.130 4.771 4.640 0.002 0.000 0.209 170 D C 1.326 177.574 176.300 -0.086 0.000 1.015 170 D CA 0.128 54.080 54.000 -0.079 0.000 0.867 170 D CB -0.267 40.578 40.800 0.075 0.000 0.933 170 D HN 0.585 nan 8.370 nan 0.000 0.520 171 F N 0.159 119.714 119.950 -0.659 0.000 2.120 171 F HA -0.226 4.302 4.527 0.002 0.000 0.300 171 F C 2.425 177.475 175.800 -1.251 0.000 1.095 171 F CA 0.260 57.370 58.000 -1.483 0.000 1.249 171 F CB -0.262 37.433 39.000 -2.175 0.000 0.995 171 F HN -0.086 nan 8.300 nan 0.000 0.480 172 V N 0.329 119.958 119.914 -0.476 0.000 2.720 172 V HA -0.263 3.858 4.120 0.002 0.000 0.256 172 V C 2.286 178.303 176.094 -0.129 0.000 1.082 172 V CA 2.209 64.358 62.300 -0.253 0.000 1.101 172 V CB -0.520 31.241 31.823 -0.103 0.000 0.693 172 V HN 0.446 nan 8.190 nan 0.000 0.479 173 S N 0.080 115.727 115.700 -0.087 0.000 2.461 173 S HA -0.086 4.385 4.470 0.002 0.000 0.228 173 S C 1.502 176.210 174.600 0.181 0.000 1.005 173 S CA 1.335 59.579 58.200 0.073 0.000 0.942 173 S CB -0.351 62.934 63.200 0.142 0.000 0.776 173 S HN 0.865 nan 8.310 nan 0.000 0.514 174 F N -2.059 117.942 119.950 0.086 0.000 2.817 174 F HA 0.606 5.134 4.527 0.002 0.000 0.333 174 F C -0.033 175.899 175.800 0.219 0.000 1.085 174 F CA -1.691 56.389 58.000 0.132 0.000 1.170 174 F CB -0.078 38.993 39.000 0.119 0.000 1.066 174 F HN -0.081 nan 8.300 nan 0.000 0.564 175 F N 4.801 124.440 119.950 -0.518 0.000 2.496 175 F HA 0.376 4.904 4.527 0.002 0.000 0.344 175 F C -1.630 174.136 175.800 -0.056 0.000 1.155 175 F CA -3.062 54.684 58.000 -0.423 0.000 1.302 175 F CB 0.063 38.650 39.000 -0.689 0.000 1.159 175 F HN -0.097 nan 8.300 nan 0.000 0.595 176 P HA 0.069 nan 4.420 nan 0.000 0.274 176 P C -0.972 176.577 177.300 0.414 0.000 1.256 176 P CA -0.470 62.777 63.100 0.245 0.000 0.795 176 P CB 0.741 32.564 31.700 0.205 0.000 1.038 177 D N 0.366 120.970 120.400 0.340 0.000 2.372 177 D HA 0.068 4.709 4.640 0.002 0.000 0.243 177 D C -0.960 175.594 176.300 0.423 0.000 1.121 177 D CA -0.092 54.135 54.000 0.377 0.000 0.898 177 D CB 0.581 41.554 40.800 0.289 0.000 1.202 177 D HN 0.214 nan 8.370 nan 0.000 0.428 178 F N 1.483 121.557 119.950 0.207 0.000 2.420 178 F HA 0.390 4.918 4.527 0.002 0.000 0.342 178 F C -1.022 174.857 175.800 0.132 0.000 1.113 178 F CA -0.622 57.392 58.000 0.023 0.000 1.059 178 F CB 1.376 40.146 39.000 -0.382 0.000 1.128 178 F HN 0.139 nan 8.300 nan 0.000 0.475 179 V N 6.221 125.954 119.914 -0.303 0.000 2.483 179 V HA 0.200 4.321 4.120 0.002 0.000 0.297 179 V C -1.316 174.653 176.094 -0.208 0.000 1.027 179 V CA -0.844 61.441 62.300 -0.025 0.000 0.855 179 V CB 1.674 33.638 31.823 0.234 0.000 0.995 179 V HN 0.758 nan 8.190 nan 0.000 0.424 180 W N 5.295 126.540 121.300 -0.092 0.000 2.314 180 W HA 0.579 5.240 4.660 0.002 0.000 0.310 180 W C 0.150 176.724 176.519 0.092 0.000 1.075 180 W CA -0.790 56.558 57.345 0.005 0.000 1.253 180 W CB 1.610 31.213 29.460 0.238 0.000 1.238 180 W HN 0.668 nan 8.180 nan 0.000 0.440 181 T N 4.292 119.115 114.554 0.449 0.000 2.749 181 T HA 0.612 4.963 4.350 0.002 0.000 0.287 181 T C -0.436 174.477 174.700 0.355 0.000 0.970 181 T CA -0.673 61.634 62.100 0.345 0.000 0.980 181 T CB 1.153 69.988 68.868 -0.056 0.000 0.924 181 T HN 0.315 nan 8.240 nan 0.000 0.456 182 L N 4.311 125.730 121.223 0.327 0.000 2.262 182 L HA 0.502 4.843 4.340 0.002 0.000 0.288 182 L C 0.625 177.680 176.870 0.308 0.000 1.035 182 L CA -1.027 53.957 54.840 0.239 0.000 0.820 182 L CB 0.839 42.914 42.059 0.027 0.000 1.204 182 L HN 0.452 nan 8.230 nan 0.000 0.424 183 R N 1.811 122.438 120.500 0.212 0.000 2.500 183 R HA 0.216 4.557 4.340 0.002 0.000 0.277 183 R C -0.184 176.228 176.300 0.187 0.000 1.026 183 R CA -0.786 55.420 56.100 0.176 0.000 1.058 183 R CB 0.528 30.833 30.300 0.009 0.000 1.078 183 R HN 0.551 nan 8.270 nan 0.000 0.509 184 D N 0.471 120.970 120.400 0.164 0.000 2.737 184 D HA -0.235 4.406 4.640 0.002 0.000 0.233 184 D C -0.376 176.014 176.300 0.149 0.000 1.155 184 D CA 0.732 54.792 54.000 0.100 0.000 0.667 184 D CB -1.465 39.342 40.800 0.012 0.000 1.060 184 D HN 0.369 nan 8.370 nan 0.000 0.427 185 F N 1.155 121.135 119.950 0.050 0.000 2.623 185 F HA 0.072 4.601 4.527 0.002 0.000 0.383 185 F C 1.733 177.515 175.800 -0.030 0.000 1.077 185 F CA 0.583 58.585 58.000 0.003 0.000 1.268 185 F CB 0.686 39.680 39.000 -0.009 0.000 1.053 185 F HN -0.002 nan 8.300 nan 0.000 0.571 186 S N 4.962 120.315 115.700 -0.578 0.000 2.539 186 S HA 0.347 4.818 4.470 0.002 0.000 0.221 186 S C 0.020 174.286 174.600 -0.558 0.000 0.987 186 S CA -0.434 57.503 58.200 -0.438 0.000 0.929 186 S CB -0.440 62.596 63.200 -0.273 0.000 0.832 186 S HN 0.457 nan 8.310 nan 0.000 0.492 187 L N 2.341 122.937 121.223 -1.045 0.000 2.334 187 L HA 0.480 4.821 4.340 0.002 0.000 0.275 187 L C 0.657 177.317 176.870 -0.350 0.000 1.036 187 L CA -0.733 53.703 54.840 -0.673 0.000 0.807 187 L CB 1.277 42.876 42.059 -0.767 0.000 1.231 187 L HN 0.145 nan 8.230 nan 0.000 0.438 188 D N 1.241 121.530 120.400 -0.185 0.000 2.348 188 D HA -0.006 4.635 4.640 0.002 0.000 0.211 188 D C 1.072 177.340 176.300 -0.053 0.000 0.998 188 D CA 0.009 53.959 54.000 -0.084 0.000 0.873 188 D CB 0.102 40.860 40.800 -0.070 0.000 0.925 188 D HN 0.458 nan 8.370 nan 0.000 0.524 189 L N -0.560 120.615 121.223 -0.079 0.000 4.429 189 L HA -0.244 4.097 4.340 0.002 0.000 0.422 189 L C -0.323 176.513 176.870 -0.057 0.000 1.149 189 L CA 0.492 55.295 54.840 -0.062 0.000 0.972 189 L CB -2.038 40.002 42.059 -0.031 0.000 2.059 189 L HN 0.222 nan 8.230 nan 0.000 0.870 190 E N 0.185 120.350 120.200 -0.058 0.000 2.437 190 E HA 0.448 4.799 4.350 0.002 0.000 0.263 190 E C 0.487 177.053 176.600 -0.058 0.000 1.030 190 E CA 0.614 56.984 56.400 -0.050 0.000 0.934 190 E CB 0.745 30.418 29.700 -0.044 0.000 0.943 190 E HN 0.372 nan 8.360 nan 0.000 0.444 191 A N 2.854 125.644 122.820 -0.050 0.000 2.612 191 A HA 0.318 4.639 4.320 0.002 0.000 0.293 191 A C -1.462 176.099 177.584 -0.037 0.000 1.075 191 A CA -1.023 50.981 52.037 -0.054 0.000 0.680 191 A CB 1.126 20.085 19.000 -0.069 0.000 1.279 191 A HN 0.550 nan 8.150 nan 0.000 0.411 192 D N 0.842 121.222 120.400 -0.033 0.000 2.533 192 D HA 0.381 5.022 4.640 0.002 0.000 0.236 192 D C 1.423 177.712 176.300 -0.020 0.000 1.137 192 D CA 2.563 56.549 54.000 -0.022 0.000 0.867 192 D CB 0.479 41.269 40.800 -0.017 0.000 1.170 192 D HN 1.502 nan 8.370 nan 0.000 0.474 193 G N 2.419 111.210 108.800 -0.016 0.000 5.045 193 G HA2 -0.271 3.690 3.960 0.002 0.000 0.229 193 G HA3 -0.271 3.690 3.960 0.002 0.000 0.229 193 G C -0.047 174.844 174.900 -0.015 0.000 1.440 193 G CA 0.576 45.667 45.100 -0.014 0.000 0.936 193 G HN 0.837 nan 8.290 nan 0.000 0.690 194 Q N 0.559 120.347 119.800 -0.019 0.000 2.482 194 Q HA 0.669 5.010 4.340 0.002 0.000 0.286 194 Q C -3.239 172.745 176.000 -0.026 0.000 1.007 194 Q CA -1.732 54.059 55.803 -0.020 0.000 0.801 194 Q CB 2.934 31.662 28.738 -0.017 0.000 1.455 194 Q HN 0.427 nan 8.270 nan 0.000 0.398 195 P HA 0.098 nan 4.420 nan 0.000 0.270 195 P C -0.494 176.787 177.300 -0.033 0.000 1.223 195 P CA -0.203 62.877 63.100 -0.033 0.000 0.785 195 P CB 0.852 32.534 31.700 -0.030 0.000 0.923 196 L N 1.301 122.503 121.223 -0.035 0.000 2.417 196 L HA 0.209 4.550 4.340 0.002 0.000 0.268 196 L C 1.573 178.429 176.870 -0.023 0.000 1.158 196 L CA -0.219 54.607 54.840 -0.022 0.000 0.819 196 L CB 0.339 42.395 42.059 -0.004 0.000 1.112 196 L HN 0.501 nan 8.230 nan 0.000 0.458 197 T N -1.306 113.232 114.554 -0.027 0.000 2.874 197 T HA 0.271 4.622 4.350 0.002 0.000 0.281 197 T C -1.779 172.885 174.700 -0.060 0.000 0.994 197 T CA -1.757 60.307 62.100 -0.060 0.000 1.015 197 T CB 1.251 70.075 68.868 -0.072 0.000 1.028 197 T HN 0.399 nan 8.240 nan 0.000 0.523 198 P HA -0.071 nan 4.420 nan 0.000 0.218 198 P C 0.913 178.158 177.300 -0.091 0.000 1.148 198 P CA 1.030 64.039 63.100 -0.152 0.000 0.822 198 P CB 0.055 31.568 31.700 -0.312 0.000 0.784 199 D N 0.113 120.427 120.400 -0.143 0.000 2.144 199 D HA -0.124 4.517 4.640 0.002 0.000 0.200 199 D C 1.926 178.207 176.300 -0.031 0.000 0.978 199 D CA 1.020 54.954 54.000 -0.109 0.000 0.833 199 D CB -0.235 40.484 40.800 -0.135 0.000 0.961 199 D HN 0.354 nan 8.370 nan 0.000 0.470 200 E N -0.397 119.801 120.200 -0.005 0.000 2.152 200 E HA -0.168 4.183 4.350 0.002 0.000 0.192 200 E C 1.864 178.518 176.600 0.090 0.000 0.983 200 E CA 0.348 56.767 56.400 0.032 0.000 0.818 200 E CB -0.104 29.609 29.700 0.022 0.000 0.758 200 E HN 0.313 nan 8.360 nan 0.000 0.467 201 Y N 1.310 121.598 120.300 -0.019 0.000 2.242 201 Y HA -0.190 4.361 4.550 0.002 0.000 0.291 201 Y C 2.042 177.971 175.900 0.048 0.000 1.137 201 Y CA 0.951 59.073 58.100 0.036 0.000 1.181 201 Y CB -0.166 38.285 38.460 -0.014 0.000 0.989 201 Y HN 0.037 nan 8.280 nan 0.000 0.527 202 L N -0.259 120.884 121.223 -0.134 0.000 2.056 202 L HA -0.138 4.203 4.340 0.002 0.000 0.207 202 L C 2.194 178.974 176.870 -0.150 0.000 1.078 202 L CA 2.551 57.259 54.840 -0.220 0.000 0.749 202 L CB -1.258 40.762 42.059 -0.065 0.000 0.901 202 L HN 0.231 nan 8.230 nan 0.000 0.433 203 T N -1.275 113.247 114.554 -0.053 0.000 2.708 203 T HA -0.261 4.090 4.350 0.002 0.000 0.266 203 T C 1.669 176.360 174.700 -0.015 0.000 1.037 203 T CA 1.922 64.009 62.100 -0.022 0.000 1.146 203 T CB -0.583 68.296 68.868 0.018 0.000 0.865 203 T HN 0.518 nan 8.240 nan 0.000 0.435 204 Y N 2.104 122.333 120.300 -0.118 0.000 2.165 204 Y HA -0.166 4.385 4.550 0.002 0.000 0.286 204 Y C 2.560 178.372 175.900 -0.146 0.000 1.155 204 Y CA 1.347 59.390 58.100 -0.096 0.000 1.164 204 Y CB -0.562 37.864 38.460 -0.057 0.000 0.978 204 Y HN 0.107 nan 8.280 nan 0.000 0.513 205 S N 0.086 115.567 115.700 -0.365 0.000 2.423 205 S HA -0.042 4.430 4.470 0.002 0.000 0.231 205 S C 1.608 176.015 174.600 -0.322 0.000 1.014 205 S CA 1.226 59.150 58.200 -0.461 0.000 0.965 205 S CB -0.281 62.551 63.200 -0.614 0.000 0.785 205 S HN 0.458 nan 8.310 nan 0.000 0.495 206 L N 0.748 121.828 121.223 -0.238 0.000 2.628 206 L HA 0.192 4.533 4.340 0.002 0.000 0.229 206 L C 0.333 177.096 176.870 -0.178 0.000 1.137 206 L CA 0.032 54.756 54.840 -0.193 0.000 0.909 206 L CB -0.059 41.917 42.059 -0.139 0.000 1.137 206 L HN 0.041 nan 8.230 nan 0.000 0.470 207 K N 1.491 121.794 120.400 -0.162 0.000 2.355 207 K HA 0.283 4.604 4.320 0.002 0.000 0.270 207 K C -0.115 176.441 176.600 -0.072 0.000 1.003 207 K CA -0.121 56.096 56.287 -0.117 0.000 0.957 207 K CB 1.153 33.607 32.500 -0.076 0.000 0.939 207 K HN 0.097 nan 8.250 nan 0.000 0.482 208 L N 1.656 122.742 121.223 -0.227 0.000 2.454 208 L HA 0.339 4.680 4.340 0.002 0.000 0.256 208 L C 0.376 177.305 176.870 0.098 0.000 1.136 208 L CA -0.564 54.124 54.840 -0.254 0.000 0.804 208 L CB 0.406 41.837 42.059 -1.047 0.000 1.181 208 L HN 0.521 nan 8.230 nan 0.000 0.469 209 K N 1.060 121.584 120.400 0.207 0.000 2.292 209 K HA 0.348 4.669 4.320 0.002 0.000 0.257 209 K C -0.974 175.831 176.600 0.343 0.000 0.940 209 K CA -0.833 55.542 56.287 0.148 0.000 0.811 209 K CB 1.512 33.800 32.500 -0.353 0.000 1.120 209 K HN 0.288 nan 8.250 nan 0.000 0.428 210 K N 1.237 121.772 120.400 0.224 0.000 2.295 210 K HA 0.472 4.793 4.320 0.002 0.000 0.270 210 K C -0.121 176.499 176.600 0.033 0.000 1.011 210 K CA 0.578 56.901 56.287 0.059 0.000 0.953 210 K CB 1.299 33.704 32.500 -0.158 0.000 0.956 210 K HN 0.849 nan 8.250 nan 0.000 0.477 211 G N -0.355 108.464 108.800 0.030 0.000 2.375 211 G HA2 0.025 3.986 3.960 0.002 0.000 0.663 211 G HA3 0.025 3.986 3.960 0.002 0.000 0.663 211 G C -0.071 174.852 174.900 0.038 0.000 1.391 211 G CA -0.328 44.781 45.100 0.015 0.000 0.949 211 G HN 0.574 nan 8.290 nan 0.000 0.646 212 T N -2.208 112.359 114.554 0.022 0.000 3.132 212 T HA 0.552 4.903 4.350 0.002 0.000 0.274 212 T C 1.317 176.031 174.700 0.022 0.000 1.011 212 T CA 0.950 63.067 62.100 0.028 0.000 0.899 212 T CB -0.005 68.874 68.868 0.019 0.000 1.089 212 T HN 1.880 nan 8.240 nan 0.000 0.543 213 S N 0.674 116.384 115.700 0.017 0.000 2.589 213 S HA 0.171 4.642 4.470 0.002 0.000 0.265 213 S C 1.302 175.916 174.600 0.022 0.000 1.342 213 S CA -0.574 57.634 58.200 0.013 0.000 1.005 213 S CB 1.282 64.484 63.200 0.005 0.000 0.909 213 S HN 0.384 nan 8.310 nan 0.000 0.555 214 Q N 0.686 120.497 119.800 0.019 0.000 2.135 214 Q HA -0.161 4.180 4.340 0.002 0.000 0.204 214 Q C 1.464 177.484 176.000 0.033 0.000 0.981 214 Q CA 1.279 57.096 55.803 0.022 0.000 0.856 214 Q CB -0.072 28.675 28.738 0.014 0.000 0.902 214 Q HN 0.625 nan 8.270 nan 0.000 0.425 215 K N 0.677 121.095 120.400 0.030 0.000 2.057 215 K HA -0.121 4.200 4.320 0.002 0.000 0.206 215 K C 1.615 178.259 176.600 0.073 0.000 1.050 215 K CA 1.251 57.565 56.287 0.044 0.000 0.935 215 K CB -0.283 32.230 32.500 0.022 0.000 0.715 215 K HN 0.319 nan 8.250 nan 0.000 0.439 216 D N 1.261 121.692 120.400 0.051 0.000 2.117 216 D HA -0.128 4.513 4.640 0.002 0.000 0.197 216 D C 1.855 178.229 176.300 0.123 0.000 0.987 216 D CA 1.038 55.080 54.000 0.069 0.000 0.829 216 D CB -0.062 40.763 40.800 0.042 0.000 0.961 216 D HN 0.388 nan 8.370 nan 0.000 0.460 217 E N 0.020 120.271 120.200 0.085 0.000 2.106 217 E HA -0.100 4.251 4.350 0.002 0.000 0.192 217 E C 1.975 178.619 176.600 0.074 0.000 0.984 217 E CA 1.124 57.568 56.400 0.072 0.000 0.806 217 E CB -0.078 29.651 29.700 0.049 0.000 0.750 217 E HN 0.178 nan 8.360 nan 0.000 0.458 218 T N 0.847 115.450 114.554 0.082 0.000 2.821 218 T HA -0.126 4.226 4.350 0.002 0.000 0.267 218 T C 1.453 176.205 174.700 0.085 0.000 1.046 218 T CA 0.788 62.928 62.100 0.068 0.000 1.139 218 T CB -0.281 68.621 68.868 0.057 0.000 0.871 218 T HN 0.168 nan 8.240 nan 0.000 0.454 219 F N 2.649 122.590 119.950 -0.015 0.000 2.146 219 F HA -0.072 4.456 4.527 0.002 0.000 0.298 219 F C 2.027 177.798 175.800 -0.048 0.000 1.096 219 F CA 1.049 59.034 58.000 -0.024 0.000 1.275 219 F CB -0.171 38.816 39.000 -0.021 0.000 1.008 219 F HN 0.032 nan 8.300 nan 0.000 0.480 220 N N 0.550 119.344 118.700 0.156 0.000 2.300 220 N HA -0.110 4.631 4.740 0.002 0.000 0.179 220 N C 1.871 177.319 175.510 -0.102 0.000 1.016 220 N CA 0.919 53.974 53.050 0.009 0.000 0.876 220 N CB -0.679 37.834 38.487 0.043 0.000 0.979 220 N HN 0.279 nan 8.380 nan 0.000 0.432 221 L N 2.790 123.974 121.223 -0.066 0.000 1.978 221 L HA -0.114 4.227 4.340 0.002 0.000 0.218 221 L C -0.830 175.946 176.870 -0.156 0.000 1.075 221 L CA 2.238 57.024 54.840 -0.090 0.000 0.767 221 L CB -1.577 40.465 42.059 -0.028 0.000 0.890 221 L HN 0.144 nan 8.230 nan 0.000 0.434 222 P HA -0.171 nan 4.420 nan 0.000 0.219 222 P C 1.442 178.605 177.300 -0.229 0.000 1.150 222 P CA 1.543 64.535 63.100 -0.180 0.000 0.814 222 P CB -0.143 31.476 31.700 -0.135 0.000 0.787 223 R N -0.332 120.022 120.500 -0.243 0.000 2.075 223 R HA 0.014 4.355 4.340 0.002 0.000 0.232 223 R C 2.707 178.856 176.300 -0.252 0.000 1.126 223 R CA 0.992 56.945 56.100 -0.245 0.000 0.963 223 R CB -0.988 29.145 30.300 -0.279 0.000 0.858 223 R HN 0.212 nan 8.270 nan 0.000 0.435 224 L N 0.039 121.108 121.223 -0.257 0.000 2.083 224 L HA -0.251 4.090 4.340 0.002 0.000 0.209 224 L C 2.596 179.219 176.870 -0.411 0.000 1.083 224 L CA 1.056 55.732 54.840 -0.274 0.000 0.752 224 L CB -0.407 41.516 42.059 -0.225 0.000 0.899 224 L HN 0.350 nan 8.230 nan 0.000 0.433 225 C N -0.179 118.799 119.300 -0.536 0.000 2.429 225 C HA -0.157 4.304 4.460 0.002 0.000 0.277 225 C C 2.695 177.257 174.990 -0.713 0.000 1.262 225 C CA 0.493 58.889 59.018 -1.038 0.000 1.733 225 C CB -0.633 26.620 27.740 -0.811 0.000 2.010 225 C HN 0.428 nan 8.230 nan 0.000 0.483 226 I N 0.471 120.828 120.570 -0.356 0.000 2.226 226 I HA -0.211 3.960 4.170 0.002 0.000 0.245 226 I C 2.745 178.790 176.117 -0.119 0.000 1.100 226 I CA 1.555 62.721 61.300 -0.224 0.000 1.374 226 I CB -0.485 37.261 38.000 -0.423 0.000 1.057 226 I HN 0.337 nan 8.210 nan 0.000 0.413 227 R N 0.735 121.129 120.500 -0.177 0.000 2.115 227 R HA -0.107 4.234 4.340 0.002 0.000 0.230 227 R C 2.085 178.347 176.300 -0.064 0.000 1.111 227 R CA 1.104 57.141 56.100 -0.104 0.000 0.976 227 R CB -0.085 30.138 30.300 -0.129 0.000 0.870 227 R HN 0.373 nan 8.270 nan 0.000 0.445 228 K N -0.750 119.570 120.400 -0.134 0.000 2.308 228 K HA 0.110 4.432 4.320 0.002 0.000 0.197 228 K C 1.641 178.307 176.600 0.109 0.000 1.049 228 K CA 0.560 56.817 56.287 -0.050 0.000 0.991 228 K CB 0.295 32.739 32.500 -0.092 0.000 0.836 228 K HN 0.144 nan 8.250 nan 0.000 0.500 229 F N 0.247 120.098 119.950 -0.165 0.000 2.270 229 F HA 0.099 4.627 4.527 0.002 0.000 0.295 229 F C 0.541 176.031 175.800 -0.517 0.000 1.087 229 F CA -0.165 57.573 58.000 -0.438 0.000 1.365 229 F CB 0.234 38.928 39.000 -0.510 0.000 1.056 229 F HN -0.155 nan 8.300 nan 0.000 0.506 230 F N 1.578 121.635 119.950 0.178 0.000 2.404 230 F HA 0.261 4.789 4.527 0.002 0.000 0.339 230 F C -1.347 174.524 175.800 0.118 0.000 1.105 230 F CA -2.686 55.429 58.000 0.191 0.000 1.087 230 F CB 0.315 39.437 39.000 0.203 0.000 1.143 230 F HN -0.300 nan 8.300 nan 0.000 0.491 231 P HA -0.132 nan 4.420 nan 0.000 0.221 231 P C -0.217 177.200 177.300 0.194 0.000 1.150 231 P CA 1.211 64.420 63.100 0.182 0.000 0.800 231 P CB 0.682 32.474 31.700 0.153 0.000 0.787 232 K N -0.534 120.022 120.400 0.261 0.000 2.502 232 K HA 0.468 4.789 4.320 0.002 0.000 0.257 232 K C -1.240 175.534 176.600 0.290 0.000 0.938 232 K CA -0.705 55.722 56.287 0.235 0.000 0.819 232 K CB 1.827 34.461 32.500 0.224 0.000 1.333 232 K HN -0.345 nan 8.250 nan 0.000 0.434 233 K N 1.869 122.412 120.400 0.239 0.000 2.371 233 K HA 0.487 4.808 4.320 0.002 0.000 0.251 233 K C -1.513 175.208 176.600 0.203 0.000 0.934 233 K CA -0.878 55.578 56.287 0.281 0.000 0.798 233 K CB 2.051 34.678 32.500 0.211 0.000 1.204 233 K HN 0.367 nan 8.250 nan 0.000 0.427 234 K N 0.577 121.103 120.400 0.210 0.000 2.508 234 K HA 0.681 5.002 4.320 0.002 0.000 0.260 234 K C -1.901 174.704 176.600 0.008 0.000 0.949 234 K CA -0.657 55.626 56.287 -0.006 0.000 0.834 234 K CB 1.878 34.308 32.500 -0.116 0.000 1.365 234 K HN 0.705 nan 8.250 nan 0.000 0.437 235 C N 4.040 123.198 119.300 -0.237 0.000 2.626 235 C HA 0.822 5.283 4.460 0.002 0.000 0.310 235 C C -1.712 172.974 174.990 -0.506 0.000 1.191 235 C CA -0.617 58.308 59.018 -0.155 0.000 1.517 235 C CB -0.093 27.589 27.740 -0.096 0.000 2.102 235 C HN 0.709 nan 8.230 nan 0.000 0.479 236 F N 4.402 124.308 119.950 -0.073 0.000 2.547 236 F HA 0.588 5.116 4.527 0.002 0.000 0.316 236 F C 0.251 175.861 175.800 -0.317 0.000 1.121 236 F CA -0.627 57.233 58.000 -0.233 0.000 0.911 236 F CB 2.053 40.952 39.000 -0.168 0.000 1.179 236 F HN 0.636 nan 8.300 nan 0.000 0.443 237 V N 0.058 119.736 119.914 -0.394 0.000 2.732 237 V HA 0.721 4.842 4.120 0.002 0.000 0.310 237 V C -1.200 174.618 176.094 -0.461 0.000 1.053 237 V CA -0.929 61.116 62.300 -0.425 0.000 0.957 237 V CB 1.833 33.163 31.823 -0.822 0.000 1.018 237 V HN 0.538 nan 8.190 nan 0.000 0.452 238 F N 1.151 121.121 119.950 0.034 0.000 2.557 238 F HA 0.578 5.107 4.527 0.002 0.000 0.316 238 F C 0.108 176.062 175.800 0.256 0.000 1.141 238 F CA -0.753 57.354 58.000 0.179 0.000 0.922 238 F CB 1.595 40.735 39.000 0.234 0.000 1.194 238 F HN 0.539 nan 8.300 nan 0.000 0.443 239 D N 1.609 122.266 120.400 0.429 0.000 2.377 239 D HA 0.159 4.800 4.640 0.002 0.000 0.245 239 D C 0.433 176.839 176.300 0.176 0.000 1.196 239 D CA -0.345 53.818 54.000 0.273 0.000 0.962 239 D CB 0.697 41.619 40.800 0.204 0.000 1.127 239 D HN 0.208 nan 8.370 nan 0.000 0.471 240 R N 0.968 121.486 120.500 0.029 0.000 2.538 240 R HA 0.019 4.360 4.340 0.002 0.000 0.282 240 R C -1.568 174.580 176.300 -0.254 0.000 1.009 240 R CA -0.854 55.175 56.100 -0.117 0.000 1.063 240 R CB 0.089 30.326 30.300 -0.105 0.000 0.945 240 R HN 0.258 nan 8.270 nan 0.000 0.414 241 P HA -0.132 nan 4.420 nan 0.000 0.215 241 P C 0.217 177.325 177.300 -0.320 0.000 1.157 241 P CA 1.069 63.669 63.100 -0.832 0.000 0.863 241 P CB 0.269 31.307 31.700 -1.103 0.000 0.787 242 V N -7.111 112.662 119.914 -0.235 0.000 3.181 242 V HA 0.410 4.531 4.120 0.002 0.000 0.307 242 V C -0.279 175.779 176.094 -0.060 0.000 1.310 242 V CA -1.255 60.986 62.300 -0.098 0.000 1.067 242 V CB 1.224 33.001 31.823 -0.077 0.000 1.081 242 V HN 0.008 nan 8.190 nan 0.000 0.453 243 H N 1.323 120.345 119.070 -0.081 0.000 2.871 243 H HA 0.196 4.753 4.556 0.002 0.000 0.355 243 H C 1.630 176.911 175.328 -0.078 0.000 1.092 243 H CA 1.061 57.069 56.048 -0.067 0.000 1.420 243 H CB 1.341 31.074 29.762 -0.048 0.000 1.400 243 H HN 0.881 nan 8.280 nan 0.000 0.604 244 R N 3.710 123.997 120.500 -0.355 0.000 2.117 244 R HA -0.166 4.176 4.340 0.002 0.000 0.243 244 R C 1.599 177.922 176.300 0.038 0.000 1.143 244 R CA 1.796 57.805 56.100 -0.151 0.000 0.968 244 R CB -0.221 29.951 30.300 -0.212 0.000 0.863 244 R HN 0.560 nan 8.270 nan 0.000 0.444 245 R N 0.543 121.214 120.500 0.284 0.000 2.316 245 R HA 0.025 4.366 4.340 0.002 0.000 0.202 245 R C 1.154 177.486 176.300 0.053 0.000 1.029 245 R CA 1.188 57.375 56.100 0.144 0.000 1.018 245 R CB 0.109 30.482 30.300 0.122 0.000 0.888 245 R HN 0.366 nan 8.270 nan 0.000 0.471 246 K N -0.227 120.201 120.400 0.046 0.000 2.402 246 K HA 0.178 4.499 4.320 0.002 0.000 0.204 246 K C 1.350 177.913 176.600 -0.062 0.000 1.056 246 K CA -0.149 56.131 56.287 -0.011 0.000 1.069 246 K CB 0.555 33.051 32.500 -0.006 0.000 0.888 246 K HN 0.026 nan 8.250 nan 0.000 0.546 247 L N 0.944 122.117 121.223 -0.083 0.000 2.081 247 L HA -0.207 4.134 4.340 0.002 0.000 0.212 247 L C 2.395 179.172 176.870 -0.155 0.000 1.080 247 L CA 1.529 56.279 54.840 -0.150 0.000 0.754 247 L CB -0.483 41.484 42.059 -0.154 0.000 0.893 247 L HN 0.222 nan 8.230 nan 0.000 0.433 248 A N -0.937 121.820 122.820 -0.105 0.000 2.168 248 A HA -0.143 4.178 4.320 0.002 0.000 0.215 248 A C 1.949 179.482 177.584 -0.085 0.000 1.152 248 A CA 1.006 52.986 52.037 -0.095 0.000 0.716 248 A CB -0.215 18.747 19.000 -0.063 0.000 0.794 248 A HN 0.557 nan 8.150 nan 0.000 0.465 249 Q N -1.264 118.490 119.800 -0.077 0.000 2.247 249 Q HA 0.222 4.563 4.340 0.002 0.000 0.211 249 Q C 1.355 177.324 176.000 -0.052 0.000 0.861 249 Q CA -0.366 55.406 55.803 -0.051 0.000 0.949 249 Q CB 0.118 28.837 28.738 -0.032 0.000 1.115 249 Q HN 0.448 nan 8.270 nan 0.000 0.507 250 L N 2.043 123.200 121.223 -0.109 0.000 2.034 250 L HA -0.317 4.024 4.340 0.002 0.000 0.217 250 L C 2.223 179.107 176.870 0.024 0.000 1.077 250 L CA 2.241 57.005 54.840 -0.126 0.000 0.769 250 L CB -0.349 41.476 42.059 -0.391 0.000 0.890 250 L HN 0.309 nan 8.230 nan 0.000 0.435 251 E N -0.784 119.444 120.200 0.047 0.000 2.160 251 E HA -0.261 4.090 4.350 0.002 0.000 0.195 251 E C 1.779 178.448 176.600 0.115 0.000 0.991 251 E CA 1.509 58.011 56.400 0.170 0.000 0.810 251 E CB -0.015 29.754 29.700 0.115 0.000 0.742 251 E HN 0.555 nan 8.360 nan 0.000 0.466 252 K N -0.227 120.209 120.400 0.060 0.000 2.393 252 K HA 0.164 4.485 4.320 0.002 0.000 0.193 252 K C 0.180 176.810 176.600 0.049 0.000 1.026 252 K CA -0.153 56.162 56.287 0.046 0.000 1.064 252 K CB 0.412 32.926 32.500 0.022 0.000 0.833 252 K HN 0.130 nan 8.250 nan 0.000 0.521 253 L N 2.032 123.291 121.223 0.060 0.000 2.375 253 L HA 0.125 4.466 4.340 0.002 0.000 0.271 253 L C 0.539 177.458 176.870 0.082 0.000 1.107 253 L CA -0.665 54.210 54.840 0.058 0.000 0.806 253 L CB 0.751 42.838 42.059 0.046 0.000 1.146 253 L HN 0.063 nan 8.230 nan 0.000 0.447 254 Q N 0.964 120.804 119.800 0.067 0.000 2.260 254 Q HA 0.068 4.409 4.340 0.002 0.000 0.238 254 Q C 0.295 176.348 176.000 0.088 0.000 0.948 254 Q CA -0.455 55.390 55.803 0.071 0.000 0.895 254 Q CB 1.085 29.854 28.738 0.051 0.000 1.218 254 Q HN 0.489 nan 8.270 nan 0.000 0.470 255 D N 1.306 121.762 120.400 0.093 0.000 2.172 255 D HA -0.204 4.437 4.640 0.002 0.000 0.196 255 D C 1.460 177.817 176.300 0.095 0.000 0.999 255 D CA 1.354 55.420 54.000 0.109 0.000 0.856 255 D CB 0.258 41.111 40.800 0.089 0.000 0.934 255 D HN 0.554 nan 8.370 nan 0.000 0.453 256 E N 0.849 121.091 120.200 0.069 0.000 2.265 256 E HA -0.179 4.172 4.350 0.002 0.000 0.196 256 E C 1.247 177.880 176.600 0.055 0.000 0.996 256 E CA 0.716 57.150 56.400 0.057 0.000 0.832 256 E CB -0.529 29.197 29.700 0.042 0.000 0.756 256 E HN 0.479 nan 8.360 nan 0.000 0.491 257 E N 0.529 120.764 120.200 0.058 0.000 2.489 257 E HA 0.173 4.524 4.350 0.002 0.000 0.193 257 E C 0.467 177.100 176.600 0.054 0.000 1.057 257 E CA -0.088 56.340 56.400 0.047 0.000 0.866 257 E CB 0.263 29.986 29.700 0.037 0.000 0.916 257 E HN 0.206 nan 8.360 nan 0.000 0.500 258 L N 0.566 121.840 121.223 0.086 0.000 2.331 258 L HA 0.319 4.660 4.340 0.002 0.000 0.268 258 L C 0.184 177.125 176.870 0.118 0.000 1.015 258 L CA -1.270 53.633 54.840 0.104 0.000 0.807 258 L CB 0.673 42.854 42.059 0.204 0.000 1.293 258 L HN -0.133 nan 8.230 nan 0.000 0.451 259 D N 1.048 121.520 120.400 0.120 0.000 2.450 259 D HA 0.051 4.692 4.640 0.002 0.000 0.247 259 D C -1.794 174.614 176.300 0.180 0.000 1.162 259 D CA -1.206 52.872 54.000 0.130 0.000 0.879 259 D CB 1.309 42.183 40.800 0.123 0.000 1.163 259 D HN 0.153 nan 8.370 nan 0.000 0.472 260 P HA -0.161 nan 4.420 nan 0.000 0.216 260 P C 0.978 178.341 177.300 0.106 0.000 1.150 260 P CA 1.061 64.223 63.100 0.104 0.000 0.843 260 P CB 0.182 31.923 31.700 0.068 0.000 0.787 261 E N -1.689 118.578 120.200 0.112 0.000 2.106 261 E HA -0.189 4.163 4.350 0.002 0.000 0.192 261 E C 1.762 178.439 176.600 0.128 0.000 0.984 261 E CA 0.624 57.080 56.400 0.094 0.000 0.806 261 E CB -0.476 29.275 29.700 0.084 0.000 0.750 261 E HN 0.123 nan 8.360 nan 0.000 0.458 262 F N 0.574 120.565 119.950 0.068 0.000 2.134 262 F HA -0.184 4.345 4.527 0.002 0.000 0.299 262 F C 1.921 177.798 175.800 0.129 0.000 1.097 262 F CA 1.144 59.215 58.000 0.119 0.000 1.264 262 F CB -0.346 38.734 39.000 0.133 0.000 1.001 262 F HN -0.133 nan 8.300 nan 0.000 0.479 263 V N 0.354 120.333 119.914 0.109 0.000 2.332 263 V HA -0.327 3.794 4.120 0.002 0.000 0.248 263 V C 2.359 178.406 176.094 -0.077 0.000 1.055 263 V CA 2.216 64.513 62.300 -0.005 0.000 1.038 263 V CB -0.885 30.997 31.823 0.098 0.000 0.651 263 V HN 0.379 nan 8.190 nan 0.000 0.450 264 Q N -0.114 119.665 119.800 -0.036 0.000 2.172 264 Q HA -0.170 4.171 4.340 0.002 0.000 0.200 264 Q C 2.196 178.142 176.000 -0.091 0.000 0.964 264 Q CA 1.599 57.377 55.803 -0.042 0.000 0.855 264 Q CB -0.273 28.458 28.738 -0.013 0.000 0.918 264 Q HN 0.701 nan 8.270 nan 0.000 0.444 265 Q N -1.123 118.587 119.800 -0.150 0.000 2.079 265 Q HA -0.096 4.245 4.340 0.002 0.000 0.200 265 Q C 2.034 177.886 176.000 -0.246 0.000 0.974 265 Q CA 1.590 57.232 55.803 -0.269 0.000 0.840 265 Q CB 0.057 28.548 28.738 -0.412 0.000 0.898 265 Q HN 0.237 nan 8.270 nan 0.000 0.430 266 V N 0.810 120.607 119.914 -0.195 0.000 2.358 266 V HA -0.267 3.854 4.120 0.002 0.000 0.246 266 V C 2.228 178.299 176.094 -0.040 0.000 1.047 266 V CA 1.772 64.045 62.300 -0.046 0.000 1.035 266 V CB -0.928 30.724 31.823 -0.285 0.000 0.658 266 V HN 0.407 nan 8.190 nan 0.000 0.452 267 A N -0.031 122.740 122.820 -0.082 0.000 1.902 267 A HA -0.253 4.068 4.320 0.002 0.000 0.217 267 A C 1.968 179.503 177.584 -0.081 0.000 1.181 267 A CA 2.073 54.071 52.037 -0.064 0.000 0.623 267 A CB -0.583 18.396 19.000 -0.035 0.000 0.818 267 A HN 0.553 nan 8.150 nan 0.000 0.443 268 D N -1.191 119.169 120.400 -0.066 0.000 2.144 268 D HA -0.097 4.544 4.640 0.002 0.000 0.200 268 D C 1.590 177.798 176.300 -0.154 0.000 0.978 268 D CA 1.143 55.126 54.000 -0.028 0.000 0.833 268 D CB -0.443 40.394 40.800 0.061 0.000 0.961 268 D HN 0.505 nan 8.370 nan 0.000 0.470 269 F N 1.505 121.135 119.950 -0.534 0.000 2.075 269 F HA -0.223 4.305 4.527 0.002 0.000 0.297 269 F C 2.213 177.667 175.800 -0.577 0.000 1.113 269 F CA 1.155 58.565 58.000 -0.984 0.000 1.218 269 F CB -0.516 38.072 39.000 -0.687 0.000 0.984 269 F HN -0.040 nan 8.300 nan 0.000 0.472 270 C N 0.162 119.078 119.300 -0.641 0.000 2.413 270 C HA -0.160 4.301 4.460 0.002 0.000 0.276 270 C C 3.023 177.364 174.990 -1.082 0.000 1.248 270 C CA 1.534 59.939 59.018 -1.022 0.000 1.742 270 C CB -1.491 25.853 27.740 -0.660 0.000 2.017 270 C HN 0.605 nan 8.230 nan 0.000 0.481 271 S N -0.455 114.960 115.700 -0.476 0.000 2.383 271 S HA -0.208 4.263 4.470 0.002 0.000 0.229 271 S C 1.588 176.097 174.600 -0.151 0.000 1.030 271 S CA 1.654 59.743 58.200 -0.185 0.000 1.002 271 S CB -0.572 62.612 63.200 -0.027 0.000 0.829 271 S HN 0.740 nan 8.310 nan 0.000 0.467 272 Y N 2.267 122.396 120.300 -0.285 0.000 2.145 272 Y HA -0.136 4.415 4.550 0.002 0.000 0.286 272 Y C 1.988 177.753 175.900 -0.224 0.000 1.145 272 Y CA 1.243 59.257 58.100 -0.143 0.000 1.148 272 Y CB -0.358 38.126 38.460 0.039 0.000 0.981 272 Y HN 0.108 nan 8.280 nan 0.000 0.507 273 I N -0.003 120.274 120.570 -0.488 0.000 2.163 273 I HA -0.347 3.824 4.170 0.002 0.000 0.243 273 I C 2.418 178.391 176.117 -0.242 0.000 1.085 273 I CA 1.764 62.769 61.300 -0.493 0.000 1.347 273 I CB -1.673 35.886 38.000 -0.735 0.000 1.044 273 I HN 0.293 nan 8.210 nan 0.000 0.408 274 F N 0.692 120.507 119.950 -0.226 0.000 2.269 274 F HA -0.175 4.353 4.527 0.002 0.000 0.301 274 F C 2.523 178.318 175.800 -0.008 0.000 1.082 274 F CA 0.738 58.685 58.000 -0.089 0.000 1.360 274 F CB -0.243 38.697 39.000 -0.100 0.000 1.041 274 F HN 0.047 nan 8.300 nan 0.000 0.512 275 S N -0.992 114.734 115.700 0.042 0.000 2.483 275 S HA 0.029 4.500 4.470 0.002 0.000 0.221 275 S C 1.404 175.920 174.600 -0.140 0.000 1.030 275 S CA 0.133 58.311 58.200 -0.035 0.000 0.925 275 S CB 0.008 63.188 63.200 -0.032 0.000 0.795 275 S HN 0.369 nan 8.310 nan 0.000 0.511 276 N N 0.880 119.400 118.700 -0.300 0.000 2.407 276 N HA 0.167 4.908 4.740 0.002 0.000 0.182 276 N C -0.273 175.109 175.510 -0.213 0.000 1.079 276 N CA 0.121 52.963 53.050 -0.347 0.000 0.882 276 N CB 0.333 38.363 38.487 -0.761 0.000 1.106 276 N HN 0.099 nan 8.380 nan 0.000 0.461 277 S N 1.864 117.464 115.700 -0.166 0.000 2.525 277 S HA 0.115 4.586 4.470 0.002 0.000 0.285 277 S C 0.383 174.986 174.600 0.005 0.000 1.283 277 S CA 0.252 58.429 58.200 -0.039 0.000 1.072 277 S CB 0.838 64.042 63.200 0.006 0.000 0.867 277 S HN 0.118 nan 8.310 nan 0.000 0.492 278 K N 1.622 122.037 120.400 0.024 0.000 2.087 278 K HA 0.316 4.638 4.320 0.002 0.000 0.255 278 K C 0.240 176.875 176.600 0.057 0.000 0.988 278 K CA -0.595 55.706 56.287 0.024 0.000 0.915 278 K CB 0.575 33.095 32.500 0.034 0.000 1.043 278 K HN 0.411 nan 8.250 nan 0.000 0.457 279 T N 2.177 116.765 114.554 0.058 0.000 2.928 279 T HA -0.024 4.327 4.350 0.002 0.000 0.305 279 T C 0.139 174.887 174.700 0.081 0.000 1.035 279 T CA 0.037 62.198 62.100 0.100 0.000 1.145 279 T CB 0.357 69.304 68.868 0.132 0.000 0.963 279 T HN 0.287 nan 8.240 nan 0.000 0.545 280 K N 2.787 123.237 120.400 0.084 0.000 2.451 280 K HA 0.164 4.485 4.320 0.002 0.000 0.280 280 K C -0.278 176.354 176.600 0.053 0.000 1.020 280 K CA 0.442 56.775 56.287 0.077 0.000 1.008 280 K CB 0.064 32.611 32.500 0.079 0.000 0.917 280 K HN 0.593 nan 8.250 nan 0.000 0.478 281 T N 4.565 119.153 114.554 0.056 0.000 2.900 281 T HA 0.522 4.873 4.350 0.002 0.000 0.295 281 T C -0.653 174.064 174.700 0.029 0.000 1.044 281 T CA -0.796 61.320 62.100 0.025 0.000 0.995 281 T CB 0.825 69.708 68.868 0.026 0.000 1.072 281 T HN 0.413 nan 8.240 nan 0.000 0.473 282 L N 1.345 122.552 121.223 -0.027 0.000 2.313 282 L HA 0.574 4.915 4.340 0.002 0.000 0.268 282 L C 0.697 177.531 176.870 -0.061 0.000 1.010 282 L CA -1.276 53.539 54.840 -0.040 0.000 0.814 282 L CB 1.624 43.624 42.059 -0.098 0.000 1.304 282 L HN 0.813 nan 8.230 nan 0.000 0.441 283 S N -0.019 115.653 115.700 -0.048 0.000 2.593 283 S HA 0.234 4.706 4.470 0.002 0.000 0.300 283 S C 0.944 175.493 174.600 -0.085 0.000 1.267 283 S CA 0.166 58.343 58.200 -0.038 0.000 1.065 283 S CB 0.413 63.596 63.200 -0.028 0.000 0.807 283 S HN 1.136 nan 8.310 nan 0.000 0.499 284 G N 2.119 110.884 108.800 -0.059 0.000 2.163 284 G HA2 0.216 4.177 3.960 0.002 0.000 0.213 284 G HA3 0.216 4.177 3.960 0.002 0.000 0.213 284 G C 1.107 175.950 174.900 -0.096 0.000 0.991 284 G CA 0.361 45.413 45.100 -0.079 0.000 0.653 284 G HN 2.418 nan 8.290 nan 0.000 0.518 285 G N -0.630 108.123 108.800 -0.078 0.000 2.148 285 G HA2 -0.261 3.700 3.960 0.002 0.000 0.254 285 G HA3 -0.261 3.700 3.960 0.002 0.000 0.254 285 G C 0.472 175.308 174.900 -0.106 0.000 0.981 285 G CA 0.372 45.431 45.100 -0.067 0.000 0.670 285 G HN 1.415 nan 8.290 nan 0.000 0.528 286 I N 1.362 121.824 120.570 -0.181 0.000 2.662 286 I HA 0.070 4.241 4.170 0.002 0.000 0.285 286 I C 0.993 177.025 176.117 -0.142 0.000 1.161 286 I CA 0.460 61.613 61.300 -0.244 0.000 1.415 286 I CB 0.521 38.250 38.000 -0.451 0.000 1.385 286 I HN 0.212 nan 8.210 nan 0.000 0.552 287 Q N 5.499 125.236 119.800 -0.106 0.000 2.279 287 Q HA 0.330 4.671 4.340 0.002 0.000 0.256 287 Q C -0.701 175.265 176.000 -0.056 0.000 0.937 287 Q CA -0.670 55.099 55.803 -0.057 0.000 0.933 287 Q CB 2.160 30.873 28.738 -0.041 0.000 1.189 287 Q HN 0.442 nan 8.270 nan 0.000 0.417 288 V N 4.690 124.588 119.914 -0.027 0.000 2.508 288 V HA 0.064 4.185 4.120 0.002 0.000 0.281 288 V C 0.340 176.428 176.094 -0.010 0.000 1.041 288 V CA -0.221 62.070 62.300 -0.016 0.000 1.016 288 V CB 0.290 32.120 31.823 0.011 0.000 0.984 288 V HN 0.811 nan 8.190 nan 0.000 0.478 289 N N 4.080 122.770 118.700 -0.016 0.000 3.002 289 N HA 0.439 5.180 4.740 0.002 0.000 0.331 289 N C 1.142 176.651 175.510 -0.001 0.000 1.384 289 N CA -0.146 52.894 53.050 -0.017 0.000 0.780 289 N CB 0.867 39.334 38.487 -0.033 0.000 1.492 289 N HN 0.396 nan 8.380 nan 0.000 0.608 290 G N 0.007 108.807 108.800 0.000 0.000 2.553 290 G HA2 -0.179 3.782 3.960 0.002 0.000 0.218 290 G HA3 -0.179 3.782 3.960 0.002 0.000 0.218 290 G C -0.987 173.916 174.900 0.005 0.000 1.195 290 G CA 1.172 46.278 45.100 0.008 0.000 0.779 290 G HN 0.557 nan 8.290 nan 0.000 0.577 291 P HA -0.041 nan 4.420 nan 0.000 0.218 291 P C 1.949 179.248 177.300 -0.003 0.000 1.148 291 P CA 1.077 64.176 63.100 -0.002 0.000 0.822 291 P CB -0.032 31.667 31.700 -0.001 0.000 0.784 292 R N -1.213 119.286 120.500 -0.002 0.000 2.073 292 R HA -0.040 4.301 4.340 0.002 0.000 0.229 292 R C 2.160 178.454 176.300 -0.011 0.000 1.120 292 R CA 0.829 56.927 56.100 -0.004 0.000 0.967 292 R CB -1.181 29.114 30.300 -0.009 0.000 0.862 292 R HN 0.149 nan 8.270 nan 0.000 0.436 293 L N 1.655 122.879 121.223 0.002 0.000 2.093 293 L HA -0.153 4.188 4.340 0.002 0.000 0.208 293 L C 2.244 179.115 176.870 0.002 0.000 1.085 293 L CA 1.805 56.653 54.840 0.014 0.000 0.755 293 L CB -0.472 41.608 42.059 0.035 0.000 0.904 293 L HN 0.179 nan 8.230 nan 0.000 0.435 294 E N -1.309 118.890 120.200 -0.003 0.000 2.085 294 E HA -0.273 4.078 4.350 0.002 0.000 0.194 294 E C 2.229 178.809 176.600 -0.034 0.000 0.994 294 E CA 1.460 57.853 56.400 -0.011 0.000 0.801 294 E CB -0.230 29.464 29.700 -0.009 0.000 0.743 294 E HN 0.548 nan 8.360 nan 0.000 0.453 295 S N -0.041 115.633 115.700 -0.044 0.000 2.356 295 S HA -0.116 4.355 4.470 0.002 0.000 0.223 295 S C 2.047 176.562 174.600 -0.142 0.000 1.032 295 S CA 1.093 59.248 58.200 -0.073 0.000 1.005 295 S CB -0.290 62.876 63.200 -0.056 0.000 0.867 295 S HN 0.350 nan 8.310 nan 0.000 0.449 296 L N 0.964 122.092 121.223 -0.158 0.000 2.017 296 L HA -0.086 4.255 4.340 0.002 0.000 0.208 296 L C 2.526 179.242 176.870 -0.257 0.000 1.073 296 L CA 1.185 55.834 54.840 -0.319 0.000 0.745 296 L CB -0.818 41.155 42.059 -0.145 0.000 0.894 296 L HN 0.233 nan 8.230 nan 0.000 0.432 297 V N 0.282 120.163 119.914 -0.054 0.000 2.287 297 V HA -0.337 3.784 4.120 0.002 0.000 0.248 297 V C 2.404 178.489 176.094 -0.014 0.000 1.053 297 V CA 2.060 64.374 62.300 0.024 0.000 1.027 297 V CB -0.409 31.429 31.823 0.026 0.000 0.646 297 V HN 0.388 nan 8.190 nan 0.000 0.447 298 L N -0.462 120.728 121.223 -0.054 0.000 2.012 298 L HA -0.210 4.131 4.340 0.002 0.000 0.210 298 L C 2.547 179.374 176.870 -0.073 0.000 1.073 298 L CA 2.420 57.228 54.840 -0.054 0.000 0.748 298 L CB -0.548 41.478 42.059 -0.055 0.000 0.891 298 L HN 0.383 nan 8.230 nan 0.000 0.431 299 T N -0.904 113.563 114.554 -0.145 0.000 2.708 299 T HA -0.229 4.122 4.350 0.002 0.000 0.266 299 T C 1.618 176.274 174.700 -0.073 0.000 1.037 299 T CA 2.028 64.028 62.100 -0.166 0.000 1.146 299 T CB -0.559 68.126 68.868 -0.304 0.000 0.865 299 T HN 0.453 nan 8.240 nan 0.000 0.435 300 Y N 0.545 120.824 120.300 -0.035 0.000 2.200 300 Y HA -0.101 4.450 4.550 0.002 0.000 0.290 300 Y C 2.705 178.548 175.900 -0.095 0.000 1.137 300 Y CA 0.129 58.200 58.100 -0.049 0.000 1.163 300 Y CB -0.308 38.140 38.460 -0.021 0.000 0.988 300 Y HN -0.002 nan 8.280 nan 0.000 0.518 301 V N 0.304 120.265 119.914 0.078 0.000 2.427 301 V HA -0.262 3.859 4.120 0.002 0.000 0.248 301 V C 1.680 177.736 176.094 -0.063 0.000 1.051 301 V CA 1.661 63.948 62.300 -0.022 0.000 1.048 301 V CB -0.527 31.289 31.823 -0.012 0.000 0.666 301 V HN 0.448 nan 8.190 nan 0.000 0.456 302 N N 0.663 119.339 118.700 -0.039 0.000 2.188 302 N HA -0.087 4.654 4.740 0.002 0.000 0.184 302 N C 1.880 177.356 175.510 -0.058 0.000 1.018 302 N CA 1.570 54.592 53.050 -0.047 0.000 0.858 302 N CB -0.469 37.997 38.487 -0.036 0.000 0.989 302 N HN 0.482 nan 8.380 nan 0.000 0.426 303 A N 1.055 123.848 122.820 -0.045 0.000 1.877 303 A HA -0.057 4.264 4.320 0.002 0.000 0.216 303 A C 2.301 179.796 177.584 -0.148 0.000 1.186 303 A CA 0.945 52.952 52.037 -0.051 0.000 0.620 303 A CB -0.685 18.324 19.000 0.015 0.000 0.822 303 A HN 0.220 nan 8.150 nan 0.000 0.443 304 I N -0.055 120.348 120.570 -0.278 0.000 2.226 304 I HA -0.218 3.953 4.170 0.002 0.000 0.245 304 I C 2.492 178.413 176.117 -0.328 0.000 1.100 304 I CA 1.472 62.445 61.300 -0.544 0.000 1.374 304 I CB -0.251 37.250 38.000 -0.831 0.000 1.057 304 I HN 0.211 nan 8.210 nan 0.000 0.413 305 S N 0.044 115.623 115.700 -0.201 0.000 2.447 305 S HA -0.103 4.368 4.470 0.002 0.000 0.233 305 S C 2.016 176.571 174.600 -0.074 0.000 1.006 305 S CA 1.192 59.322 58.200 -0.117 0.000 0.957 305 S CB -0.087 63.064 63.200 -0.080 0.000 0.773 305 S HN 0.372 nan 8.310 nan 0.000 0.507 306 S N -0.056 115.602 115.700 -0.071 0.000 2.528 306 S HA 0.312 4.783 4.470 0.002 0.000 0.219 306 S C 1.514 176.102 174.600 -0.020 0.000 0.985 306 S CA 0.525 58.703 58.200 -0.035 0.000 0.914 306 S CB 0.233 63.418 63.200 -0.026 0.000 0.776 306 S HN 0.719 nan 8.310 nan 0.000 0.526 307 G N 1.839 110.618 108.800 -0.036 0.000 2.132 307 G HA2 -0.170 3.792 3.960 0.002 0.000 0.234 307 G HA3 -0.170 3.792 3.960 0.002 0.000 0.234 307 G C -0.518 174.406 174.900 0.041 0.000 0.989 307 G CA -0.046 45.063 45.100 0.014 0.000 0.676 307 G HN 0.443 nan 8.290 nan 0.000 0.522 308 D N -0.465 119.939 120.400 0.007 0.000 2.442 308 D HA 0.629 5.270 4.640 0.002 0.000 0.254 308 D C 0.744 177.080 176.300 0.060 0.000 1.069 308 D CA -0.496 53.532 54.000 0.046 0.000 1.017 308 D CB 1.173 41.992 40.800 0.032 0.000 1.172 308 D HN 0.161 nan 8.370 nan 0.000 0.561 309 L N 1.904 123.204 121.223 0.127 0.000 2.312 309 L HA 0.304 4.646 4.340 0.002 0.000 0.281 309 L C -2.027 174.928 176.870 0.141 0.000 1.070 309 L CA -1.685 53.276 54.840 0.201 0.000 0.805 309 L CB 1.165 43.368 42.059 0.241 0.000 1.174 309 L HN 0.064 nan 8.230 nan 0.000 0.434 310 P HA -0.023 nan 4.420 nan 0.000 0.267 310 P C -0.888 176.501 177.300 0.148 0.000 1.205 310 P CA -0.250 62.934 63.100 0.140 0.000 0.765 310 P CB 1.066 32.755 31.700 -0.019 0.000 0.828 311 C N 6.157 125.594 119.300 0.228 0.000 2.364 311 C HA 0.279 4.740 4.460 0.002 0.000 0.324 311 C C 1.846 176.958 174.990 0.204 0.000 1.234 311 C CA -0.745 58.372 59.018 0.165 0.000 1.417 311 C CB 0.285 28.093 27.740 0.113 0.000 2.101 311 C HN 0.731 nan 8.230 nan 0.000 0.466 312 M N 2.725 122.358 119.600 0.054 0.000 2.080 312 M HA -0.106 4.375 4.480 0.002 0.000 0.260 312 M C 1.942 178.204 176.300 -0.065 0.000 1.068 312 M CA 2.206 57.470 55.300 -0.061 0.000 1.109 312 M CB -0.937 31.280 32.600 -0.639 0.000 1.342 312 M HN 1.003 nan 8.290 nan 0.000 0.405 313 E N 0.099 120.255 120.200 -0.074 0.000 2.058 313 E HA -0.240 4.112 4.350 0.002 0.000 0.194 313 E C 1.642 178.239 176.600 -0.005 0.000 0.997 313 E CA 1.923 58.300 56.400 -0.038 0.000 0.801 313 E CB -0.203 29.486 29.700 -0.018 0.000 0.746 313 E HN 0.698 nan 8.360 nan 0.000 0.450 314 N N -0.111 118.598 118.700 0.015 0.000 2.149 314 N HA -0.192 4.549 4.740 0.002 0.000 0.188 314 N C 1.879 177.377 175.510 -0.020 0.000 1.019 314 N CA 0.800 53.857 53.050 0.013 0.000 0.857 314 N CB -0.167 38.339 38.487 0.032 0.000 0.997 314 N HN 0.186 nan 8.380 nan 0.000 0.426 315 A N 0.863 123.655 122.820 -0.046 0.000 1.898 315 A HA -0.068 4.253 4.320 0.002 0.000 0.216 315 A C 2.423 179.953 177.584 -0.090 0.000 1.181 315 A CA 1.032 52.968 52.037 -0.169 0.000 0.620 315 A CB -0.624 18.141 19.000 -0.392 0.000 0.819 315 A HN 0.088 nan 8.150 nan 0.000 0.442 316 V N 0.166 120.060 119.914 -0.033 0.000 2.343 316 V HA -0.243 3.878 4.120 0.002 0.000 0.247 316 V C 2.547 178.699 176.094 0.098 0.000 1.051 316 V CA 1.881 64.201 62.300 0.033 0.000 1.036 316 V CB -0.785 31.049 31.823 0.019 0.000 0.654 316 V HN 0.560 nan 8.190 nan 0.000 0.451 317 L N 0.103 121.355 121.223 0.048 0.000 2.083 317 L HA -0.142 4.199 4.340 0.002 0.000 0.209 317 L C 2.739 179.614 176.870 0.009 0.000 1.083 317 L CA 1.494 56.356 54.840 0.038 0.000 0.752 317 L CB -0.797 41.278 42.059 0.026 0.000 0.899 317 L HN 0.363 nan 8.230 nan 0.000 0.433 318 A N -0.028 122.787 122.820 -0.008 0.000 1.902 318 A HA -0.221 4.100 4.320 0.002 0.000 0.217 318 A C 2.200 179.767 177.584 -0.028 0.000 1.181 318 A CA 1.605 53.627 52.037 -0.025 0.000 0.623 318 A CB -0.620 18.347 19.000 -0.055 0.000 0.818 318 A HN 0.322 nan 8.150 nan 0.000 0.443 319 L N -0.307 120.916 121.223 0.000 0.000 2.093 319 L HA -0.005 4.336 4.340 0.002 0.000 0.208 319 L C 2.648 179.506 176.870 -0.021 0.000 1.085 319 L CA 2.029 56.894 54.840 0.042 0.000 0.755 319 L CB -0.819 41.320 42.059 0.133 0.000 0.904 319 L HN 0.337 nan 8.230 nan 0.000 0.435 320 A N -1.196 121.574 122.820 -0.083 0.000 1.908 320 A HA -0.233 4.089 4.320 0.002 0.000 0.218 320 A C 2.168 179.450 177.584 -0.503 0.000 1.181 320 A CA 1.600 53.296 52.037 -0.567 0.000 0.627 320 A CB -0.574 18.193 19.000 -0.388 0.000 0.818 320 A HN 0.570 nan 8.150 nan 0.000 0.445 321 Q N -0.226 119.437 119.800 -0.228 0.000 2.112 321 Q HA -0.178 4.163 4.340 0.002 0.000 0.206 321 Q C 2.163 178.068 176.000 -0.157 0.000 0.987 321 Q CA 1.728 57.465 55.803 -0.110 0.000 0.858 321 Q CB -0.458 28.305 28.738 0.042 0.000 0.905 321 Q HN 0.802 nan 8.270 nan 0.000 0.420 322 I N 0.427 120.917 120.570 -0.134 0.000 2.163 322 I HA -0.241 3.930 4.170 0.002 0.000 0.240 322 I C 2.179 178.201 176.117 -0.157 0.000 1.081 322 I CA 1.163 62.405 61.300 -0.097 0.000 1.353 322 I CB -0.294 37.673 38.000 -0.055 0.000 1.054 322 I HN 0.211 nan 8.210 nan 0.000 0.407 323 E N 0.711 120.771 120.200 -0.233 0.000 2.150 323 E HA -0.166 4.185 4.350 0.002 0.000 0.193 323 E C 1.825 178.201 176.600 -0.372 0.000 0.985 323 E CA 0.826 57.077 56.400 -0.249 0.000 0.814 323 E CB -0.073 29.510 29.700 -0.195 0.000 0.752 323 E HN 0.446 nan 8.360 nan 0.000 0.466 324 N N 0.311 118.629 118.700 -0.636 0.000 2.216 324 N HA -0.065 4.676 4.740 0.002 0.000 0.183 324 N C 1.821 177.051 175.510 -0.467 0.000 1.017 324 N CA 0.812 53.388 53.050 -0.789 0.000 0.861 324 N CB -0.201 37.331 38.487 -1.591 0.000 0.986 324 N HN -0.046 nan 8.380 nan 0.000 0.428 325 S N 0.770 116.275 115.700 -0.325 0.000 2.368 325 S HA -0.038 4.433 4.470 0.002 0.000 0.225 325 S C 2.059 176.706 174.600 0.079 0.000 1.030 325 S CA 1.094 59.370 58.200 0.127 0.000 0.999 325 S CB -0.279 63.029 63.200 0.180 0.000 0.844 325 S HN 0.494 nan 8.310 nan 0.000 0.459 326 A N 1.411 124.229 122.820 -0.003 0.000 1.969 326 A HA 0.201 4.522 4.320 0.002 0.000 0.218 326 A C 2.308 179.917 177.584 0.043 0.000 1.169 326 A CA 1.511 53.559 52.037 0.017 0.000 0.635 326 A CB -0.902 18.091 19.000 -0.013 0.000 0.810 326 A HN 0.499 nan 8.150 nan 0.000 0.445 327 A N -0.545 122.289 122.820 0.024 0.000 1.930 327 A HA 0.031 4.353 4.320 0.002 0.000 0.217 327 A C 2.197 179.948 177.584 0.278 0.000 1.175 327 A CA 1.678 53.770 52.037 0.092 0.000 0.627 327 A CB -0.780 18.189 19.000 -0.052 0.000 0.815 327 A HN 0.344 nan 8.150 nan 0.000 0.443 328 V N 0.032 120.131 119.914 0.307 0.000 2.358 328 V HA -0.239 3.882 4.120 0.002 0.000 0.246 328 V C 2.724 178.909 176.094 0.152 0.000 1.047 328 V CA 1.971 64.413 62.300 0.236 0.000 1.035 328 V CB -0.691 31.252 31.823 0.199 0.000 0.658 328 V HN 0.536 nan 8.190 nan 0.000 0.452 329 Q N 0.068 119.946 119.800 0.131 0.000 2.124 329 Q HA -0.225 4.116 4.340 0.002 0.000 0.202 329 Q C 2.251 178.318 176.000 0.111 0.000 0.977 329 Q CA 1.677 57.541 55.803 0.103 0.000 0.850 329 Q CB -0.403 28.384 28.738 0.082 0.000 0.901 329 Q HN 0.643 nan 8.270 nan 0.000 0.429 330 K N 0.325 120.794 120.400 0.114 0.000 2.097 330 K HA -0.054 4.267 4.320 0.002 0.000 0.205 330 K C 1.983 178.675 176.600 0.153 0.000 1.050 330 K CA 1.039 57.394 56.287 0.113 0.000 0.938 330 K CB 0.000 32.549 32.500 0.082 0.000 0.718 330 K HN 0.118 nan 8.250 nan 0.000 0.442 331 A N 1.456 124.379 122.820 0.171 0.000 1.898 331 A HA -0.105 4.216 4.320 0.002 0.000 0.216 331 A C 2.011 179.727 177.584 0.220 0.000 1.181 331 A CA 1.067 53.222 52.037 0.197 0.000 0.620 331 A CB -0.407 18.718 19.000 0.208 0.000 0.819 331 A HN 0.269 nan 8.150 nan 0.000 0.442 332 I N 0.079 120.752 120.570 0.172 0.000 2.286 332 I HA -0.231 3.940 4.170 0.002 0.000 0.248 332 I C 2.904 179.156 176.117 0.225 0.000 1.115 332 I CA 1.420 62.827 61.300 0.179 0.000 1.392 332 I CB -1.495 36.574 38.000 0.114 0.000 1.065 332 I HN 0.373 nan 8.210 nan 0.000 0.418 333 A N -0.142 122.787 122.820 0.182 0.000 1.902 333 A HA -0.279 4.042 4.320 0.002 0.000 0.217 333 A C 2.270 179.956 177.584 0.169 0.000 1.181 333 A CA 1.956 54.086 52.037 0.156 0.000 0.623 333 A CB -0.995 18.080 19.000 0.125 0.000 0.818 333 A HN 0.502 nan 8.150 nan 0.000 0.443 334 H N -2.332 116.808 119.070 0.116 0.000 2.357 334 H HA -0.174 4.384 4.556 0.002 0.000 0.301 334 H C 1.821 177.213 175.328 0.107 0.000 1.082 334 H CA 2.174 58.278 56.048 0.094 0.000 1.342 334 H CB -0.372 29.444 29.762 0.089 0.000 1.389 334 H HN 0.580 nan 8.280 nan 0.000 0.511 335 Y N 1.526 121.888 120.300 0.103 0.000 2.097 335 Y HA -0.217 4.334 4.550 0.002 0.000 0.282 335 Y C 2.242 178.168 175.900 0.044 0.000 1.152 335 Y CA 2.213 60.347 58.100 0.056 0.000 1.136 335 Y CB -0.229 38.295 38.460 0.106 0.000 0.975 335 Y HN 0.351 nan 8.280 nan 0.000 0.498 336 E N -0.086 120.210 120.200 0.161 0.000 2.085 336 E HA -0.334 4.017 4.350 0.002 0.000 0.194 336 E C 2.248 178.835 176.600 -0.022 0.000 0.994 336 E CA 1.466 57.933 56.400 0.112 0.000 0.801 336 E CB -0.325 29.481 29.700 0.176 0.000 0.743 336 E HN 0.653 nan 8.360 nan 0.000 0.453 337 Q N 0.541 120.303 119.800 -0.064 0.000 2.020 337 Q HA -0.233 4.109 4.340 0.002 0.000 0.202 337 Q C 2.228 178.117 176.000 -0.184 0.000 0.982 337 Q CA 1.251 56.989 55.803 -0.108 0.000 0.838 337 Q CB 0.134 28.797 28.738 -0.124 0.000 0.899 337 Q HN 0.193 nan 8.270 nan 0.000 0.423 338 Q N -0.286 119.334 119.800 -0.301 0.000 2.084 338 Q HA -0.124 4.217 4.340 0.002 0.000 0.202 338 Q C 2.098 177.921 176.000 -0.294 0.000 0.978 338 Q CA 1.171 56.793 55.803 -0.302 0.000 0.844 338 Q CB -0.265 28.267 28.738 -0.343 0.000 0.898 338 Q HN 0.462 nan 8.270 nan 0.000 0.426 339 M N -0.440 118.912 119.600 -0.413 0.000 2.117 339 M HA -0.063 4.419 4.480 0.002 0.000 0.262 339 M C 2.178 178.314 176.300 -0.274 0.000 1.065 339 M CA 1.582 56.582 55.300 -0.500 0.000 1.114 339 M CB -1.451 30.630 32.600 -0.866 0.000 1.361 339 M HN 0.270 nan 8.290 nan 0.000 0.408 340 G N -0.352 108.388 108.800 -0.101 0.000 2.422 340 G HA2 -0.215 3.746 3.960 0.002 0.000 0.218 340 G HA3 -0.215 3.746 3.960 0.002 0.000 0.218 340 G C 1.480 176.357 174.900 -0.039 0.000 1.146 340 G CA 0.370 45.473 45.100 0.004 0.000 0.769 340 G HN 0.546 nan 8.290 nan 0.000 0.547 341 Q N -0.402 119.351 119.800 -0.078 0.000 2.378 341 Q HA 0.078 4.419 4.340 0.002 0.000 0.205 341 Q C 2.077 178.033 176.000 -0.074 0.000 0.954 341 Q CA 0.777 56.539 55.803 -0.068 0.000 0.901 341 Q CB 0.131 28.823 28.738 -0.076 0.000 0.981 341 Q HN 0.412 nan 8.270 nan 0.000 0.483 342 K N -0.455 119.881 120.400 -0.106 0.000 2.399 342 K HA 0.153 4.474 4.320 0.002 0.000 0.196 342 K C 0.111 176.651 176.600 -0.099 0.000 1.117 342 K CA -0.032 56.194 56.287 -0.101 0.000 0.965 342 K CB 1.128 33.555 32.500 -0.122 0.000 0.983 342 K HN -0.114 nan 8.250 nan 0.000 0.531 343 V N 2.578 122.417 119.914 -0.124 0.000 2.637 343 V HA 0.040 4.161 4.120 0.002 0.000 0.296 343 V C -0.124 175.946 176.094 -0.039 0.000 1.046 343 V CA -0.039 62.198 62.300 -0.105 0.000 1.066 343 V CB 1.077 32.804 31.823 -0.160 0.000 0.968 343 V HN 0.214 nan 8.190 nan 0.000 0.483 344 Q N 4.443 124.227 119.800 -0.027 0.000 2.303 344 Q HA 0.545 4.886 4.340 0.002 0.000 0.267 344 Q C -1.656 174.347 176.000 0.005 0.000 1.011 344 Q CA -0.536 55.263 55.803 -0.007 0.000 0.740 344 Q CB 1.440 30.170 28.738 -0.013 0.000 1.250 344 Q HN 0.737 nan 8.270 nan 0.000 0.458 345 L N 5.478 126.715 121.223 0.023 0.000 2.322 345 L HA 0.639 4.980 4.340 0.002 0.000 0.279 345 L C -1.856 175.026 176.870 0.021 0.000 1.036 345 L CA -1.982 52.877 54.840 0.031 0.000 0.807 345 L CB 1.179 43.273 42.059 0.058 0.000 1.226 345 L HN 0.585 nan 8.230 nan 0.000 0.433 346 P HA 0.159 nan 4.420 nan 0.000 0.277 346 P C -0.512 176.795 177.300 0.012 0.000 1.240 346 P CA -0.406 62.706 63.100 0.021 0.000 0.798 346 P CB 0.939 32.649 31.700 0.018 0.000 0.979 347 T N -1.810 112.752 114.554 0.013 0.000 2.898 347 T HA 0.059 4.410 4.350 0.002 0.000 0.301 347 T C 1.227 175.929 174.700 0.003 0.000 1.049 347 T CA -0.283 61.819 62.100 0.003 0.000 1.095 347 T CB 1.012 69.881 68.868 0.001 0.000 0.976 347 T HN 0.423 nan 8.240 nan 0.000 0.539 348 E N 1.406 121.604 120.200 -0.002 0.000 2.085 348 E HA -0.081 4.270 4.350 0.002 0.000 0.194 348 E C 0.743 177.346 176.600 0.005 0.000 0.994 348 E CA 1.436 57.835 56.400 -0.002 0.000 0.801 348 E CB -0.060 29.637 29.700 -0.005 0.000 0.743 348 E HN 0.881 nan 8.360 nan 0.000 0.453 349 S N -2.210 113.494 115.700 0.007 0.000 2.638 349 S HA 0.279 4.750 4.470 0.002 0.000 0.274 349 S C 0.389 174.997 174.600 0.013 0.000 1.157 349 S CA -0.461 57.747 58.200 0.013 0.000 0.826 349 S CB 0.744 63.953 63.200 0.014 0.000 1.139 349 S HN 0.105 nan 8.310 nan 0.000 0.474 350 L N 1.018 122.250 121.223 0.016 0.000 2.093 350 L HA 0.112 4.453 4.340 0.002 0.000 0.208 350 L C 2.599 179.479 176.870 0.015 0.000 1.085 350 L CA 2.181 57.030 54.840 0.015 0.000 0.755 350 L CB -1.096 40.971 42.059 0.012 0.000 0.904 350 L HN 0.964 nan 8.230 nan 0.000 0.435 351 Q N 0.197 120.007 119.800 0.015 0.000 2.096 351 Q HA -0.289 4.052 4.340 0.002 0.000 0.204 351 Q C 2.187 178.195 176.000 0.013 0.000 0.982 351 Q CA 2.276 58.090 55.803 0.017 0.000 0.850 351 Q CB -0.311 28.437 28.738 0.016 0.000 0.901 351 Q HN 0.705 nan 8.270 nan 0.000 0.422 352 E N -0.845 119.359 120.200 0.006 0.000 2.038 352 E HA -0.230 4.121 4.350 0.002 0.000 0.195 352 E C 1.848 178.443 176.600 -0.009 0.000 1.000 352 E CA 1.387 57.785 56.400 -0.004 0.000 0.803 352 E CB -0.291 29.404 29.700 -0.008 0.000 0.750 352 E HN 0.406 nan 8.360 nan 0.000 0.448 353 L N 0.881 122.101 121.223 -0.004 0.000 2.046 353 L HA -0.126 4.215 4.340 0.002 0.000 0.208 353 L C 2.218 179.101 176.870 0.022 0.000 1.077 353 L CA 1.513 56.346 54.840 -0.012 0.000 0.747 353 L CB -0.329 41.730 42.059 0.001 0.000 0.896 353 L HN 0.250 nan 8.230 nan 0.000 0.432 354 L N -0.917 120.332 121.223 0.043 0.000 2.141 354 L HA -0.159 4.182 4.340 0.002 0.000 0.209 354 L C 2.175 179.106 176.870 0.100 0.000 1.094 354 L CA 0.965 55.861 54.840 0.094 0.000 0.763 354 L CB -0.818 41.283 42.059 0.070 0.000 0.908 354 L HN 0.283 nan 8.230 nan 0.000 0.437 355 D N 0.336 120.763 120.400 0.045 0.000 2.117 355 D HA -0.134 4.508 4.640 0.002 0.000 0.197 355 D C 2.401 178.703 176.300 0.003 0.000 0.987 355 D CA 1.168 55.182 54.000 0.023 0.000 0.829 355 D CB -0.006 40.797 40.800 0.005 0.000 0.961 355 D HN 0.286 nan 8.370 nan 0.000 0.460 356 L N 0.035 121.250 121.223 -0.013 0.000 2.056 356 L HA -0.174 4.168 4.340 0.002 0.000 0.207 356 L C 2.480 179.316 176.870 -0.057 0.000 1.078 356 L CA 0.972 55.773 54.840 -0.064 0.000 0.749 356 L CB -0.485 41.504 42.059 -0.116 0.000 0.901 356 L HN 0.119 nan 8.230 nan 0.000 0.433 357 H N 0.441 119.474 119.070 -0.061 0.000 2.321 357 H HA -0.203 4.354 4.556 0.002 0.000 0.300 357 H C 2.434 177.827 175.328 0.107 0.000 1.087 357 H CA 1.963 58.038 56.048 0.046 0.000 1.319 357 H CB 0.005 29.820 29.762 0.088 0.000 1.379 357 H HN 0.043 nan 8.280 nan 0.000 0.501 358 R N -0.165 120.277 120.500 -0.097 0.000 2.083 358 R HA -0.164 4.177 4.340 0.002 0.000 0.237 358 R C 1.951 178.182 176.300 -0.116 0.000 1.137 358 R CA 2.115 58.137 56.100 -0.129 0.000 0.951 358 R CB -0.396 29.902 30.300 -0.003 0.000 0.851 358 R HN 0.482 nan 8.270 nan 0.000 0.434 359 D N -0.730 119.626 120.400 -0.073 0.000 2.117 359 D HA -0.080 4.561 4.640 0.002 0.000 0.198 359 D C 1.644 177.918 176.300 -0.044 0.000 0.982 359 D CA 1.595 55.563 54.000 -0.053 0.000 0.828 359 D CB 0.073 40.845 40.800 -0.047 0.000 0.967 359 D HN 0.130 nan 8.370 nan 0.000 0.464 360 S N -0.334 115.326 115.700 -0.067 0.000 2.383 360 S HA -0.146 4.325 4.470 0.002 0.000 0.227 360 S C 1.801 176.492 174.600 0.152 0.000 1.026 360 S CA 0.931 59.115 58.200 -0.027 0.000 0.981 360 S CB -0.314 62.735 63.200 -0.252 0.000 0.818 360 S HN 0.405 nan 8.310 nan 0.000 0.472 361 E N 1.474 121.715 120.200 0.069 0.000 2.077 361 E HA -0.186 4.166 4.350 0.002 0.000 0.193 361 E C 2.267 178.832 176.600 -0.057 0.000 0.989 361 E CA 0.831 57.215 56.400 -0.027 0.000 0.800 361 E CB -0.065 29.438 29.700 -0.328 0.000 0.746 361 E HN 0.368 nan 8.360 nan 0.000 0.452 362 R N 0.538 120.996 120.500 -0.070 0.000 2.081 362 R HA -0.160 4.181 4.340 0.002 0.000 0.235 362 R C 2.094 178.387 176.300 -0.011 0.000 1.131 362 R CA 1.869 57.930 56.100 -0.064 0.000 0.960 362 R CB -0.036 30.232 30.300 -0.053 0.000 0.856 362 R HN 0.228 nan 8.270 nan 0.000 0.436 363 E N -0.293 119.935 120.200 0.047 0.000 2.106 363 E HA -0.160 4.191 4.350 0.002 0.000 0.192 363 E C 1.922 178.578 176.600 0.094 0.000 0.984 363 E CA 1.027 57.479 56.400 0.088 0.000 0.806 363 E CB -0.051 29.778 29.700 0.216 0.000 0.750 363 E HN 0.482 nan 8.360 nan 0.000 0.458 364 A N 1.217 124.147 122.820 0.183 0.000 1.898 364 A HA -0.156 4.165 4.320 0.002 0.000 0.216 364 A C 2.145 179.796 177.584 0.110 0.000 1.181 364 A CA 0.986 53.136 52.037 0.188 0.000 0.620 364 A CB -0.532 18.612 19.000 0.240 0.000 0.819 364 A HN 0.133 nan 8.150 nan 0.000 0.442 365 I N -0.285 120.314 120.570 0.048 0.000 2.286 365 I HA -0.252 3.919 4.170 0.002 0.000 0.248 365 I C 2.402 178.587 176.117 0.113 0.000 1.115 365 I CA 1.446 62.784 61.300 0.062 0.000 1.392 365 I CB -0.412 37.522 38.000 -0.110 0.000 1.065 365 I HN 0.442 nan 8.210 nan 0.000 0.418 366 E N 0.270 120.491 120.200 0.036 0.000 2.106 366 E HA -0.158 4.193 4.350 0.002 0.000 0.192 366 E C 2.355 178.952 176.600 -0.005 0.000 0.984 366 E CA 1.097 57.501 56.400 0.008 0.000 0.806 366 E CB -0.029 29.656 29.700 -0.025 0.000 0.750 366 E HN 0.301 nan 8.360 nan 0.000 0.458 367 V N 1.167 121.069 119.914 -0.021 0.000 2.343 367 V HA -0.248 3.873 4.120 0.002 0.000 0.247 367 V C 2.007 178.121 176.094 0.033 0.000 1.051 367 V CA 1.788 64.060 62.300 -0.047 0.000 1.036 367 V CB -0.478 31.288 31.823 -0.094 0.000 0.654 367 V HN 0.245 nan 8.190 nan 0.000 0.451 368 F N 0.435 120.374 119.950 -0.020 0.000 2.102 368 F HA -0.173 4.355 4.527 0.002 0.000 0.298 368 F C 2.210 178.009 175.800 -0.002 0.000 1.105 368 F CA 1.627 59.627 58.000 0.000 0.000 1.239 368 F CB -0.251 38.770 39.000 0.035 0.000 0.991 368 F HN 0.013 nan 8.300 nan 0.000 0.474 369 I N 1.767 122.290 120.570 -0.077 0.000 2.208 369 I HA -0.284 3.887 4.170 0.002 0.000 0.245 369 I C 2.518 178.525 176.117 -0.183 0.000 1.097 369 I CA 2.001 63.203 61.300 -0.163 0.000 1.363 369 I CB -1.443 36.566 38.000 0.014 0.000 1.051 369 I HN 0.334 nan 8.210 nan 0.000 0.413 370 R N 0.128 120.558 120.500 -0.116 0.000 2.236 370 R HA 0.048 4.389 4.340 0.002 0.000 0.208 370 R C 1.609 177.852 176.300 -0.095 0.000 1.036 370 R CA 1.095 57.143 56.100 -0.087 0.000 1.001 370 R CB -0.392 29.872 30.300 -0.060 0.000 0.896 370 R HN 0.084 nan 8.270 nan 0.000 0.464 371 S N 0.263 115.871 115.700 -0.153 0.000 2.540 371 S HA 0.094 4.565 4.470 0.002 0.000 0.218 371 S C 0.185 174.660 174.600 -0.208 0.000 0.977 371 S CA -0.072 58.050 58.200 -0.130 0.000 0.918 371 S CB 0.647 63.785 63.200 -0.104 0.000 0.806 371 S HN 0.539 nan 8.310 nan 0.000 0.496 372 S N 1.428 116.913 115.700 -0.359 0.000 2.689 372 S HA 0.912 5.383 4.470 0.002 0.000 0.306 372 S C -0.764 173.730 174.600 -0.176 0.000 1.104 372 S CA -0.866 57.038 58.200 -0.494 0.000 0.973 372 S CB 1.591 64.199 63.200 -0.986 0.000 1.121 372 S HN 0.354 nan 8.310 nan 0.000 0.523 373 F N -2.770 117.033 119.950 -0.245 0.000 2.725 373 F HA 0.738 5.266 4.527 0.002 0.000 0.309 373 F C -0.379 175.358 175.800 -0.105 0.000 1.132 373 F CA -1.355 56.558 58.000 -0.144 0.000 0.957 373 F CB 0.708 39.638 39.000 -0.116 0.000 1.286 373 F HN 0.680 nan 8.300 nan 0.000 0.440 374 K N 0.720 121.215 120.400 0.159 0.000 3.077 374 K HA -0.242 4.080 4.320 0.002 0.000 0.264 374 K C -0.537 176.068 176.600 0.008 0.000 1.008 374 K CA 1.084 57.426 56.287 0.092 0.000 0.740 374 K CB -1.504 31.093 32.500 0.161 0.000 1.273 374 K HN 0.879 nan 8.250 nan 0.000 0.477 375 D N 0.385 120.803 120.400 0.030 0.000 2.608 375 D HA 0.098 4.739 4.640 0.002 0.000 0.224 375 D C -0.375 175.973 176.300 0.081 0.000 1.123 375 D CA -0.288 53.785 54.000 0.121 0.000 1.030 375 D CB 0.058 41.003 40.800 0.242 0.000 1.093 375 D HN 0.109 nan 8.370 nan 0.000 0.497 376 V N 3.266 123.203 119.914 0.039 0.000 2.681 376 V HA -0.074 4.047 4.120 0.002 0.000 0.306 376 V C 0.954 176.978 176.094 -0.115 0.000 1.077 376 V CA 0.280 62.551 62.300 -0.048 0.000 1.224 376 V CB 0.276 32.094 31.823 -0.007 0.000 0.879 376 V HN 0.572 nan 8.190 nan 0.000 0.494 377 D N 2.295 122.519 120.400 -0.293 0.000 3.077 377 D HA -0.217 4.424 4.640 0.002 0.000 0.217 377 D C 0.719 176.873 176.300 -0.244 0.000 1.162 377 D CA 1.347 55.169 54.000 -0.297 0.000 0.943 377 D CB -1.248 39.489 40.800 -0.105 0.000 1.122 377 D HN 1.057 nan 8.370 nan 0.000 0.413 378 H N -2.478 116.645 119.070 0.089 0.000 2.822 378 H HA -0.229 4.328 4.556 0.002 0.000 0.295 378 H C 1.758 177.128 175.328 0.069 0.000 1.151 378 H CA 1.231 57.345 56.048 0.109 0.000 1.151 378 H CB -1.908 27.896 29.762 0.070 0.000 1.343 378 H HN 0.386 nan 8.280 nan 0.000 0.382 379 L N -1.260 120.016 121.223 0.089 0.000 2.083 379 L HA -0.169 4.172 4.340 0.002 0.000 0.209 379 L C 2.419 179.222 176.870 -0.113 0.000 1.083 379 L CA 1.671 56.479 54.840 -0.053 0.000 0.752 379 L CB -0.475 41.485 42.059 -0.166 0.000 0.899 379 L HN 0.107 nan 8.230 nan 0.000 0.433 380 F N -0.112 119.864 119.950 0.044 0.000 2.163 380 F HA -0.192 4.336 4.527 0.002 0.000 0.297 380 F C 2.847 178.527 175.800 -0.200 0.000 1.094 380 F CA 1.331 59.343 58.000 0.021 0.000 1.290 380 F CB -0.324 38.803 39.000 0.212 0.000 1.017 380 F HN 0.072 nan 8.300 nan 0.000 0.483 381 Q N 0.582 120.384 119.800 0.003 0.000 2.167 381 Q HA -0.190 4.151 4.340 0.002 0.000 0.202 381 Q C 1.999 177.838 176.000 -0.269 0.000 0.970 381 Q CA 1.332 56.915 55.803 -0.367 0.000 0.855 381 Q CB 0.025 28.760 28.738 -0.006 0.000 0.911 381 Q HN 0.361 nan 8.270 nan 0.000 0.438 382 K N 0.089 120.404 120.400 -0.141 0.000 2.097 382 K HA -0.200 4.121 4.320 0.002 0.000 0.205 382 K C 1.972 178.472 176.600 -0.167 0.000 1.050 382 K CA 1.370 57.563 56.287 -0.157 0.000 0.938 382 K CB -0.011 32.439 32.500 -0.083 0.000 0.718 382 K HN 0.109 nan 8.250 nan 0.000 0.442 383 E N 1.545 121.649 120.200 -0.160 0.000 2.077 383 E HA -0.189 4.162 4.350 0.002 0.000 0.193 383 E C 1.834 178.352 176.600 -0.136 0.000 0.989 383 E CA 0.856 57.172 56.400 -0.141 0.000 0.800 383 E CB -0.223 29.390 29.700 -0.144 0.000 0.746 383 E HN 0.134 nan 8.360 nan 0.000 0.452 384 L N 0.451 121.558 121.223 -0.194 0.000 2.012 384 L HA -0.053 4.288 4.340 0.002 0.000 0.210 384 L C 2.258 179.056 176.870 -0.121 0.000 1.073 384 L CA 2.423 57.153 54.840 -0.184 0.000 0.748 384 L CB -1.167 40.676 42.059 -0.360 0.000 0.891 384 L HN 0.192 nan 8.230 nan 0.000 0.431 385 A N -0.375 122.344 122.820 -0.169 0.000 1.908 385 A HA -0.160 4.161 4.320 0.002 0.000 0.218 385 A C 2.468 180.004 177.584 -0.081 0.000 1.181 385 A CA 2.119 54.067 52.037 -0.148 0.000 0.627 385 A CB -1.279 17.459 19.000 -0.437 0.000 0.818 385 A HN 0.625 nan 8.150 nan 0.000 0.445 386 A N -0.924 121.838 122.820 -0.097 0.000 1.902 386 A HA -0.212 4.109 4.320 0.002 0.000 0.217 386 A C 2.137 179.689 177.584 -0.054 0.000 1.181 386 A CA 1.680 53.677 52.037 -0.068 0.000 0.623 386 A CB -0.560 18.397 19.000 -0.072 0.000 0.818 386 A HN 0.661 nan 8.150 nan 0.000 0.443 387 Q N -0.559 119.205 119.800 -0.060 0.000 2.119 387 Q HA -0.046 4.295 4.340 0.002 0.000 0.201 387 Q C 2.072 178.031 176.000 -0.069 0.000 0.972 387 Q CA 1.266 57.039 55.803 -0.050 0.000 0.847 387 Q CB -0.281 28.434 28.738 -0.039 0.000 0.903 387 Q HN 0.680 nan 8.270 nan 0.000 0.433 388 L N 0.448 121.610 121.223 -0.102 0.000 2.093 388 L HA -0.194 4.147 4.340 0.002 0.000 0.208 388 L C 2.444 179.264 176.870 -0.084 0.000 1.085 388 L CA 1.138 55.855 54.840 -0.204 0.000 0.755 388 L CB -0.371 41.571 42.059 -0.196 0.000 0.904 388 L HN 0.311 nan 8.230 nan 0.000 0.435 389 E N 0.314 120.500 120.200 -0.023 0.000 2.077 389 E HA -0.222 4.129 4.350 0.002 0.000 0.193 389 E C 2.112 178.701 176.600 -0.018 0.000 0.989 389 E CA 1.023 57.419 56.400 -0.007 0.000 0.800 389 E CB 0.244 29.942 29.700 -0.004 0.000 0.746 389 E HN 0.273 nan 8.360 nan 0.000 0.452 390 K N 0.539 120.927 120.400 -0.021 0.000 2.097 390 K HA -0.129 4.192 4.320 0.002 0.000 0.205 390 K C 2.116 178.718 176.600 0.003 0.000 1.050 390 K CA 0.932 57.210 56.287 -0.015 0.000 0.938 390 K CB -0.156 32.332 32.500 -0.021 0.000 0.718 390 K HN -0.051 nan 8.250 nan 0.000 0.442 391 K N 1.119 121.534 120.400 0.025 0.000 2.057 391 K HA -0.078 4.243 4.320 0.002 0.000 0.207 391 K C 2.093 178.846 176.600 0.254 0.000 1.049 391 K CA 0.965 57.327 56.287 0.126 0.000 0.931 391 K CB -0.132 32.487 32.500 0.198 0.000 0.714 391 K HN -0.012 nan 8.250 nan 0.000 0.440 392 R N 1.039 121.640 120.500 0.168 0.000 2.073 392 R HA -0.146 4.195 4.340 0.002 0.000 0.234 392 R C 0.998 177.340 176.300 0.070 0.000 1.134 392 R CA 1.941 58.095 56.100 0.090 0.000 0.952 392 R CB -0.501 29.616 30.300 -0.305 0.000 0.850 392 R HN 0.227 nan 8.270 nan 0.000 0.433 393 D N 0.836 121.247 120.400 0.017 0.000 2.123 393 D HA -0.156 4.485 4.640 0.002 0.000 0.196 393 D C 1.507 177.817 176.300 0.017 0.000 0.992 393 D CA 1.510 55.514 54.000 0.007 0.000 0.833 393 D CB -0.386 40.408 40.800 -0.010 0.000 0.954 393 D HN 0.320 nan 8.370 nan 0.000 0.455 394 D N -0.281 120.116 120.400 -0.005 0.000 2.117 394 D HA -0.109 4.532 4.640 0.002 0.000 0.197 394 D C 1.912 178.168 176.300 -0.073 0.000 0.987 394 D CA 0.640 54.593 54.000 -0.077 0.000 0.829 394 D CB -0.396 40.303 40.800 -0.170 0.000 0.961 394 D HN 0.207 nan 8.370 nan 0.000 0.460 395 F N 0.242 120.214 119.950 0.036 0.000 2.171 395 F HA -0.182 4.346 4.527 0.002 0.000 0.300 395 F C 2.450 178.257 175.800 0.011 0.000 1.090 395 F CA 0.518 58.538 58.000 0.033 0.000 1.293 395 F CB -0.192 38.843 39.000 0.059 0.000 1.013 395 F HN 0.066 nan 8.300 nan 0.000 0.486 396 C N -0.016 119.394 119.300 0.183 0.000 2.429 396 C HA -0.182 4.279 4.460 0.002 0.000 0.277 396 C C 2.752 177.780 174.990 0.063 0.000 1.262 396 C CA 1.061 60.135 59.018 0.094 0.000 1.733 396 C CB -0.929 26.838 27.740 0.044 0.000 2.010 396 C HN 0.418 nan 8.230 nan 0.000 0.483 397 K N 0.514 120.939 120.400 0.041 0.000 2.057 397 K HA -0.193 4.128 4.320 0.002 0.000 0.207 397 K C 2.128 178.743 176.600 0.025 0.000 1.049 397 K CA 1.482 57.781 56.287 0.020 0.000 0.931 397 K CB -0.214 32.286 32.500 -0.000 0.000 0.714 397 K HN 0.565 nan 8.250 nan 0.000 0.440 398 Q N 0.157 119.975 119.800 0.030 0.000 2.084 398 Q HA -0.192 4.149 4.340 0.002 0.000 0.202 398 Q C 1.938 177.973 176.000 0.058 0.000 0.978 398 Q CA 1.663 57.487 55.803 0.035 0.000 0.844 398 Q CB -0.202 28.557 28.738 0.035 0.000 0.898 398 Q HN 0.322 nan 8.270 nan 0.000 0.426 399 N N 0.841 119.590 118.700 0.082 0.000 2.084 399 N HA -0.224 4.517 4.740 0.002 0.000 0.190 399 N C 1.712 177.250 175.510 0.047 0.000 1.030 399 N CA 1.566 54.658 53.050 0.070 0.000 0.849 399 N CB -0.068 38.465 38.487 0.078 0.000 1.012 399 N HN 0.206 nan 8.380 nan 0.000 0.423 400 Q N 0.128 119.953 119.800 0.041 0.000 2.084 400 Q HA -0.176 4.166 4.340 0.002 0.000 0.202 400 Q C 1.931 177.949 176.000 0.030 0.000 0.978 400 Q CA 1.520 57.343 55.803 0.033 0.000 0.844 400 Q CB -0.157 28.597 28.738 0.027 0.000 0.898 400 Q HN 0.519 nan 8.270 nan 0.000 0.426 401 E N -0.591 119.625 120.200 0.027 0.000 2.077 401 E HA -0.200 4.152 4.350 0.002 0.000 0.193 401 E C 1.792 178.406 176.600 0.024 0.000 0.989 401 E CA 0.973 57.386 56.400 0.022 0.000 0.800 401 E CB -0.127 29.583 29.700 0.016 0.000 0.746 401 E HN 0.480 nan 8.360 nan 0.000 0.452 402 A N 0.283 123.120 122.820 0.028 0.000 1.933 402 A HA -0.162 4.159 4.320 0.002 0.000 0.218 402 A C 2.255 179.854 177.584 0.025 0.000 1.175 402 A CA 1.761 53.814 52.037 0.026 0.000 0.628 402 A CB -0.600 18.419 19.000 0.031 0.000 0.814 402 A HN 0.305 nan 8.150 nan 0.000 0.444 403 S N -0.618 115.099 115.700 0.028 0.000 2.357 403 S HA -0.102 4.370 4.470 0.002 0.000 0.221 403 S C 2.270 176.892 174.600 0.037 0.000 1.031 403 S CA 1.690 59.907 58.200 0.030 0.000 0.982 403 S CB -0.402 62.819 63.200 0.034 0.000 0.853 403 S HN 0.558 nan 8.310 nan 0.000 0.458 404 S N 1.644 117.366 115.700 0.038 0.000 2.359 404 S HA -0.131 4.340 4.470 0.002 0.000 0.224 404 S C 1.561 176.183 174.600 0.037 0.000 1.035 404 S CA 1.559 59.783 58.200 0.041 0.000 1.018 404 S CB -0.666 62.554 63.200 0.033 0.000 0.876 404 S HN 0.591 nan 8.310 nan 0.000 0.448 405 D N 0.744 121.161 120.400 0.028 0.000 2.097 405 D HA -0.109 4.532 4.640 0.002 0.000 0.195 405 D C 2.083 178.399 176.300 0.026 0.000 0.989 405 D CA 0.989 55.003 54.000 0.024 0.000 0.827 405 D CB -0.310 40.501 40.800 0.018 0.000 0.966 405 D HN 0.329 nan 8.370 nan 0.000 0.456 406 R N 0.326 120.840 120.500 0.024 0.000 2.073 406 R HA -0.111 4.230 4.340 0.002 0.000 0.234 406 R C 2.329 178.651 176.300 0.035 0.000 1.134 406 R CA 1.698 57.809 56.100 0.018 0.000 0.952 406 R CB -0.455 29.847 30.300 0.004 0.000 0.850 406 R HN 0.159 nan 8.270 nan 0.000 0.433 407 C N -0.065 119.270 119.300 0.058 0.000 2.446 407 C HA 0.019 4.480 4.460 0.002 0.000 0.277 407 C C 2.841 177.919 174.990 0.146 0.000 1.275 407 C CA 0.997 60.097 59.018 0.137 0.000 1.727 407 C CB -0.693 27.154 27.740 0.178 0.000 2.010 407 C HN 0.565 nan 8.230 nan 0.000 0.486 408 S N 0.675 116.421 115.700 0.076 0.000 2.382 408 S HA -0.051 4.420 4.470 0.002 0.000 0.228 408 S C 2.064 176.680 174.600 0.026 0.000 1.027 408 S CA 1.445 59.666 58.200 0.034 0.000 0.991 408 S CB -0.588 62.626 63.200 0.023 0.000 0.823 408 S HN 0.772 nan 8.310 nan 0.000 0.469 409 G N 1.645 110.466 108.800 0.036 0.000 2.404 409 G HA2 -0.116 3.845 3.960 0.002 0.000 0.215 409 G HA3 -0.116 3.845 3.960 0.002 0.000 0.215 409 G C 1.316 176.239 174.900 0.038 0.000 1.174 409 G CA 0.495 45.611 45.100 0.026 0.000 0.780 409 G HN 0.436 nan 8.290 nan 0.000 0.537 410 L N -0.423 120.843 121.223 0.072 0.000 2.083 410 L HA -0.034 4.307 4.340 0.002 0.000 0.209 410 L C 2.744 179.699 176.870 0.142 0.000 1.083 410 L CA 0.174 55.078 54.840 0.106 0.000 0.752 410 L CB -0.357 41.789 42.059 0.146 0.000 0.899 410 L HN 0.143 nan 8.230 nan 0.000 0.433 411 L N -0.565 120.733 121.223 0.125 0.000 2.042 411 L HA -0.236 4.105 4.340 0.002 0.000 0.210 411 L C 2.688 179.549 176.870 -0.015 0.000 1.076 411 L CA 1.718 56.571 54.840 0.022 0.000 0.749 411 L CB -0.753 41.169 42.059 -0.229 0.000 0.893 411 L HN 0.274 nan 8.230 nan 0.000 0.432 412 Q N -0.711 119.074 119.800 -0.025 0.000 2.050 412 Q HA -0.132 4.209 4.340 0.002 0.000 0.202 412 Q C 2.283 178.284 176.000 0.002 0.000 0.980 412 Q CA 1.866 57.661 55.803 -0.013 0.000 0.840 412 Q CB -0.288 28.448 28.738 -0.004 0.000 0.898 412 Q HN 0.398 nan 8.270 nan 0.000 0.424 413 V N 0.747 120.661 119.914 0.001 0.000 2.358 413 V HA -0.239 3.882 4.120 0.002 0.000 0.246 413 V C 2.345 178.406 176.094 -0.054 0.000 1.047 413 V CA 1.530 63.821 62.300 -0.016 0.000 1.035 413 V CB -0.411 31.405 31.823 -0.012 0.000 0.658 413 V HN 0.262 nan 8.190 nan 0.000 0.452 414 I N -1.640 118.874 120.570 -0.092 0.000 2.429 414 I HA -0.058 4.114 4.170 0.002 0.000 0.247 414 I C 2.062 177.929 176.117 -0.417 0.000 1.099 414 I CA 1.485 62.613 61.300 -0.288 0.000 1.422 414 I CB -0.182 37.567 38.000 -0.418 0.000 1.112 414 I HN 0.205 nan 8.210 nan 0.000 0.430 415 F N -0.304 119.594 119.950 -0.087 0.000 2.619 415 F HA 0.030 4.558 4.527 0.002 0.000 0.293 415 F C 2.749 178.559 175.800 0.017 0.000 1.119 415 F CA 0.533 58.505 58.000 -0.047 0.000 1.445 415 F CB -0.437 38.494 39.000 -0.115 0.000 1.119 415 F HN -0.084 nan 8.300 nan 0.000 0.573 416 S N 0.957 116.735 115.700 0.131 0.000 2.374 416 S HA -0.136 4.335 4.470 0.002 0.000 0.227 416 S C -0.458 174.207 174.600 0.108 0.000 1.037 416 S CA 1.698 59.967 58.200 0.115 0.000 1.024 416 S CB -1.102 62.135 63.200 0.062 0.000 0.861 416 S HN 0.100 nan 8.310 nan 0.000 0.456 417 P HA -0.060 nan 4.420 nan 0.000 0.216 417 P C 1.599 178.971 177.300 0.120 0.000 1.150 417 P CA 0.720 63.862 63.100 0.070 0.000 0.837 417 P CB -0.105 31.612 31.700 0.029 0.000 0.786 418 L N 0.169 121.477 121.223 0.142 0.000 2.027 418 L HA -0.138 4.204 4.340 0.002 0.000 0.206 418 L C 2.101 179.124 176.870 0.255 0.000 1.074 418 L CA 1.932 56.901 54.840 0.216 0.000 0.745 418 L CB -1.326 40.855 42.059 0.203 0.000 0.898 418 L HN -0.082 nan 8.230 nan 0.000 0.433 419 E N -0.588 119.756 120.200 0.240 0.000 2.070 419 E HA -0.239 4.112 4.350 0.002 0.000 0.197 419 E C 2.007 178.702 176.600 0.158 0.000 1.004 419 E CA 1.445 57.968 56.400 0.206 0.000 0.805 419 E CB -0.067 29.758 29.700 0.207 0.000 0.744 419 E HN 0.513 nan 8.360 nan 0.000 0.451 420 E N 0.663 120.946 120.200 0.139 0.000 2.106 420 E HA -0.165 4.186 4.350 0.002 0.000 0.192 420 E C 1.884 178.552 176.600 0.113 0.000 0.984 420 E CA 0.819 57.282 56.400 0.105 0.000 0.806 420 E CB -0.121 29.627 29.700 0.081 0.000 0.750 420 E HN 0.386 nan 8.360 nan 0.000 0.458 421 E N 0.350 120.646 120.200 0.159 0.000 2.077 421 E HA -0.117 4.234 4.350 0.002 0.000 0.193 421 E C 2.210 178.936 176.600 0.210 0.000 0.989 421 E CA 1.046 57.550 56.400 0.173 0.000 0.800 421 E CB 0.047 29.913 29.700 0.277 0.000 0.746 421 E HN 0.030 nan 8.360 nan 0.000 0.452 422 V N 1.631 121.712 119.914 0.278 0.000 2.343 422 V HA -0.260 3.861 4.120 0.002 0.000 0.247 422 V C 2.036 178.192 176.094 0.102 0.000 1.051 422 V CA 1.776 64.208 62.300 0.219 0.000 1.036 422 V CB -0.354 31.535 31.823 0.110 0.000 0.654 422 V HN 0.189 nan 8.190 nan 0.000 0.451 423 K N 0.290 120.740 120.400 0.084 0.000 2.283 423 K HA 0.008 4.329 4.320 0.002 0.000 0.202 423 K C 1.982 178.605 176.600 0.040 0.000 1.048 423 K CA 1.185 57.502 56.287 0.049 0.000 0.948 423 K CB -0.244 32.285 32.500 0.048 0.000 0.742 423 K HN 0.480 nan 8.250 nan 0.000 0.458 424 A N 0.410 123.258 122.820 0.047 0.000 2.208 424 A HA 0.189 4.510 4.320 0.002 0.000 0.209 424 A C 1.396 178.987 177.584 0.011 0.000 1.161 424 A CA 0.761 52.812 52.037 0.025 0.000 0.782 424 A CB -0.231 18.781 19.000 0.021 0.000 0.816 424 A HN 0.377 nan 8.150 nan 0.000 0.477 425 G N -0.502 108.312 108.800 0.024 0.000 2.136 425 G HA2 -0.262 3.700 3.960 0.002 0.000 0.242 425 G HA3 -0.262 3.700 3.960 0.002 0.000 0.242 425 G C 0.773 175.658 174.900 -0.025 0.000 0.989 425 G CA 0.380 45.486 45.100 0.011 0.000 0.682 425 G HN 0.437 nan 8.290 nan 0.000 0.522 426 I N -1.040 119.485 120.570 -0.075 0.000 2.454 426 I HA -0.126 4.045 4.170 0.002 0.000 0.254 426 I C 1.857 177.727 176.117 -0.410 0.000 1.156 426 I CA 1.375 62.514 61.300 -0.269 0.000 1.433 426 I CB -0.152 37.600 38.000 -0.412 0.000 1.082 426 I HN 0.386 nan 8.210 nan 0.000 0.432 427 Y N -0.979 119.339 120.300 0.030 0.000 2.555 427 Y HA 0.195 4.746 4.550 0.002 0.000 0.259 427 Y C 1.759 177.666 175.900 0.012 0.000 1.179 427 Y CA -0.192 57.931 58.100 0.037 0.000 1.230 427 Y CB 0.252 38.741 38.460 0.048 0.000 1.146 427 Y HN -0.094 nan 8.280 nan 0.000 0.526 428 S N 0.277 116.028 115.700 0.084 0.000 2.679 428 S HA 0.140 4.611 4.470 0.002 0.000 0.233 428 S C 0.564 175.187 174.600 0.038 0.000 0.951 428 S CA -0.109 58.122 58.200 0.052 0.000 0.973 428 S CB -0.144 63.071 63.200 0.025 0.000 0.778 428 S HN 0.109 nan 8.310 nan 0.000 0.477 429 K N 1.736 122.163 120.400 0.044 0.000 2.280 429 K HA 0.487 4.808 4.320 0.002 0.000 0.234 429 K C -3.046 173.586 176.600 0.052 0.000 1.028 429 K CA -2.756 53.550 56.287 0.031 0.000 0.882 429 K CB -0.271 32.235 32.500 0.010 0.000 1.194 429 K HN -0.184 nan 8.250 nan 0.000 0.458 430 P HA 0.027 nan 4.420 nan 0.000 0.263 430 P C 0.428 177.769 177.300 0.068 0.000 1.195 430 P CA 0.991 64.120 63.100 0.049 0.000 0.762 430 P CB 0.172 31.892 31.700 0.033 0.000 0.799 431 G N 2.917 111.772 108.800 0.092 0.000 2.159 431 G HA2 -0.259 3.702 3.960 0.002 0.000 0.256 431 G HA3 -0.259 3.702 3.960 0.002 0.000 0.256 431 G C 1.190 176.183 174.900 0.155 0.000 0.977 431 G CA 0.167 45.335 45.100 0.113 0.000 0.652 431 G HN 0.718 nan 8.290 nan 0.000 0.531 432 G N -0.501 108.408 108.800 0.181 0.000 2.448 432 G HA2 0.028 3.989 3.960 0.002 0.000 0.218 432 G HA3 0.028 3.989 3.960 0.002 0.000 0.218 432 G C 1.298 176.405 174.900 0.344 0.000 1.135 432 G CA 1.594 46.856 45.100 0.270 0.000 0.784 432 G HN 0.643 nan 8.290 nan 0.000 0.543 433 Y N 1.497 121.898 120.300 0.167 0.000 2.145 433 Y HA -0.063 4.488 4.550 0.002 0.000 0.286 433 Y C 2.927 178.937 175.900 0.184 0.000 1.145 433 Y CA 1.623 59.826 58.100 0.170 0.000 1.148 433 Y CB -0.174 38.348 38.460 0.104 0.000 0.981 433 Y HN 0.075 nan 8.280 nan 0.000 0.507 434 R N -0.626 119.923 120.500 0.082 0.000 2.081 434 R HA -0.166 4.176 4.340 0.002 0.000 0.235 434 R C 2.101 178.379 176.300 -0.036 0.000 1.131 434 R CA 1.485 57.568 56.100 -0.027 0.000 0.960 434 R CB -0.441 29.898 30.300 0.064 0.000 0.856 434 R HN 0.321 nan 8.270 nan 0.000 0.436 435 L N -0.255 121.023 121.223 0.092 0.000 2.093 435 L HA -0.171 4.170 4.340 0.002 0.000 0.208 435 L C 2.249 179.177 176.870 0.096 0.000 1.085 435 L CA 1.520 56.453 54.840 0.155 0.000 0.755 435 L CB -1.031 41.205 42.059 0.296 0.000 0.904 435 L HN 0.138 nan 8.230 nan 0.000 0.435 436 F N 0.797 120.649 119.950 -0.164 0.000 2.075 436 F HA -0.184 4.344 4.527 0.002 0.000 0.297 436 F C 2.409 177.963 175.800 -0.410 0.000 1.113 436 F CA 1.459 59.100 58.000 -0.599 0.000 1.218 436 F CB -0.494 38.141 39.000 -0.609 0.000 0.984 436 F HN -0.194 nan 8.300 nan 0.000 0.472 437 V N 0.550 120.107 119.914 -0.594 0.000 2.392 437 V HA -0.318 3.803 4.120 0.002 0.000 0.249 437 V C 2.382 178.228 176.094 -0.414 0.000 1.059 437 V CA 2.115 64.046 62.300 -0.615 0.000 1.051 437 V CB -0.922 30.573 31.823 -0.547 0.000 0.658 437 V HN 0.418 nan 8.190 nan 0.000 0.455 438 Q N 0.807 120.439 119.800 -0.280 0.000 2.084 438 Q HA -0.217 4.124 4.340 0.002 0.000 0.202 438 Q C 2.102 177.996 176.000 -0.177 0.000 0.978 438 Q CA 2.036 57.738 55.803 -0.169 0.000 0.844 438 Q CB -0.374 28.311 28.738 -0.087 0.000 0.898 438 Q HN 0.523 nan 8.270 nan 0.000 0.426 439 K N -0.345 119.926 120.400 -0.216 0.000 2.026 439 K HA -0.099 4.222 4.320 0.002 0.000 0.208 439 K C 1.842 178.290 176.600 -0.253 0.000 1.048 439 K CA 1.183 57.360 56.287 -0.184 0.000 0.929 439 K CB -0.743 31.677 32.500 -0.133 0.000 0.713 439 K HN 0.304 nan 8.250 nan 0.000 0.439 440 L N 0.900 121.860 121.223 -0.439 0.000 2.042 440 L HA -0.187 4.154 4.340 0.002 0.000 0.210 440 L C 1.945 178.719 176.870 -0.160 0.000 1.076 440 L CA 1.797 56.427 54.840 -0.350 0.000 0.749 440 L CB -0.657 41.026 42.059 -0.628 0.000 0.893 440 L HN 0.266 nan 8.230 nan 0.000 0.432 441 Q N -0.343 119.354 119.800 -0.172 0.000 2.084 441 Q HA -0.182 4.159 4.340 0.002 0.000 0.202 441 Q C 1.995 177.967 176.000 -0.046 0.000 0.978 441 Q CA 1.720 57.477 55.803 -0.076 0.000 0.844 441 Q CB -0.649 28.044 28.738 -0.075 0.000 0.898 441 Q HN 0.587 nan 8.270 nan 0.000 0.426 442 D N 0.480 120.834 120.400 -0.077 0.000 2.144 442 D HA -0.093 4.548 4.640 0.002 0.000 0.199 442 D C 2.124 178.374 176.300 -0.083 0.000 0.984 442 D CA 0.698 54.660 54.000 -0.062 0.000 0.834 442 D CB -0.042 40.717 40.800 -0.069 0.000 0.955 442 D HN 0.221 nan 8.370 nan 0.000 0.465 443 L N 0.506 121.643 121.223 -0.144 0.000 2.109 443 L HA -0.105 4.236 4.340 0.002 0.000 0.207 443 L C 2.357 179.113 176.870 -0.190 0.000 1.086 443 L CA 0.951 55.618 54.840 -0.288 0.000 0.760 443 L CB -0.197 41.544 42.059 -0.530 0.000 0.910 443 L HN -0.055 nan 8.230 nan 0.000 0.437 444 K N 0.273 120.683 120.400 0.017 0.000 2.097 444 K HA -0.208 4.113 4.320 0.002 0.000 0.205 444 K C 2.134 178.764 176.600 0.050 0.000 1.050 444 K CA 1.139 57.479 56.287 0.088 0.000 0.938 444 K CB -0.053 32.490 32.500 0.072 0.000 0.718 444 K HN 0.164 nan 8.250 nan 0.000 0.442 445 K N 1.905 122.359 120.400 0.089 0.000 2.057 445 K HA -0.193 4.128 4.320 0.002 0.000 0.207 445 K C 2.145 178.813 176.600 0.114 0.000 1.049 445 K CA 1.474 57.851 56.287 0.150 0.000 0.931 445 K CB 0.044 32.596 32.500 0.087 0.000 0.714 445 K HN -0.056 nan 8.250 nan 0.000 0.440 446 K N -0.274 120.144 120.400 0.031 0.000 2.063 446 K HA -0.241 4.080 4.320 0.002 0.000 0.208 446 K C 2.158 178.782 176.600 0.040 0.000 1.048 446 K CA 1.659 57.948 56.287 0.003 0.000 0.928 446 K CB -0.350 32.108 32.500 -0.070 0.000 0.713 446 K HN 0.235 nan 8.250 nan 0.000 0.442 447 Y N 0.388 120.631 120.300 -0.095 0.000 2.097 447 Y HA -0.286 4.265 4.550 0.002 0.000 0.282 447 Y C 1.747 177.647 175.900 -0.000 0.000 1.152 447 Y CA 1.934 59.989 58.100 -0.075 0.000 1.136 447 Y CB -0.501 37.908 38.460 -0.085 0.000 0.975 447 Y HN 0.136 nan 8.280 nan 0.000 0.498 448 Y N 0.343 120.738 120.300 0.160 0.000 2.274 448 Y HA -0.209 4.342 4.550 0.002 0.000 0.290 448 Y C 2.164 178.042 175.900 -0.037 0.000 1.145 448 Y CA 1.158 59.285 58.100 0.044 0.000 1.203 448 Y CB -0.055 38.472 38.460 0.112 0.000 0.984 448 Y HN 0.264 nan 8.280 nan 0.000 0.533 449 E N -0.026 120.251 120.200 0.129 0.000 2.481 449 E HA -0.052 4.299 4.350 0.002 0.000 0.195 449 E C 0.178 176.774 176.600 -0.006 0.000 1.047 449 E CA -0.006 56.425 56.400 0.051 0.000 0.867 449 E CB 0.129 29.855 29.700 0.043 0.000 0.858 449 E HN 0.313 nan 8.360 nan 0.000 0.513 450 E N 2.642 122.812 120.200 -0.051 0.000 2.376 450 E HA 0.053 4.404 4.350 0.002 0.000 0.266 450 E C -2.090 174.465 176.600 -0.075 0.000 1.009 450 E CA -1.658 54.694 56.400 -0.080 0.000 0.902 450 E CB 0.467 30.082 29.700 -0.142 0.000 0.972 450 E HN 0.095 nan 8.360 nan 0.000 0.439 451 P HA 0.089 nan 4.420 nan 0.000 0.275 451 P C -0.640 176.633 177.300 -0.044 0.000 1.228 451 P CA -0.199 62.877 63.100 -0.040 0.000 0.786 451 P CB 0.567 32.250 31.700 -0.028 0.000 0.927 452 R N 1.023 121.503 120.500 -0.034 0.000 3.158 452 R HA -0.199 4.142 4.340 0.002 0.000 0.244 452 R C 0.959 177.238 176.300 -0.036 0.000 0.900 452 R CA 0.446 56.530 56.100 -0.027 0.000 0.618 452 R CB -1.587 28.702 30.300 -0.019 0.000 1.061 452 R HN 0.569 nan 8.270 nan 0.000 0.471 453 K N 0.518 120.885 120.400 -0.055 0.000 2.155 453 K HA 0.002 4.323 4.320 0.002 0.000 0.203 453 K C 1.305 177.892 176.600 -0.021 0.000 1.052 453 K CA 0.989 57.234 56.287 -0.071 0.000 0.948 453 K CB 0.203 32.611 32.500 -0.154 0.000 0.728 453 K HN 0.680 nan 8.250 nan 0.000 0.448 454 G N 0.995 109.792 108.800 -0.005 0.000 2.498 454 G HA2 -0.212 3.749 3.960 0.002 0.000 0.651 454 G HA3 -0.212 3.749 3.960 0.002 0.000 0.651 454 G C 0.431 175.349 174.900 0.031 0.000 1.284 454 G CA -0.294 44.815 45.100 0.015 0.000 0.950 454 G HN 0.220 nan 8.290 nan 0.000 0.511 455 I N -2.414 118.177 120.570 0.035 0.000 3.176 455 I HA 0.124 4.295 4.170 0.002 0.000 0.275 455 I C 1.446 177.595 176.117 0.054 0.000 1.298 455 I CA 1.266 62.591 61.300 0.041 0.000 1.445 455 I CB -0.152 37.866 38.000 0.031 0.000 1.075 455 I HN 0.296 nan 8.210 nan 0.000 0.482 456 Q N 1.218 121.055 119.800 0.063 0.000 2.219 456 Q HA 0.351 4.692 4.340 0.002 0.000 0.209 456 Q C 2.088 178.161 176.000 0.121 0.000 0.854 456 Q CA 0.660 56.509 55.803 0.077 0.000 0.960 456 Q CB 0.751 29.529 28.738 0.066 0.000 1.116 456 Q HN 0.604 nan 8.270 nan 0.000 0.500 457 A N 1.656 124.559 122.820 0.139 0.000 1.884 457 A HA -0.241 4.080 4.320 0.002 0.000 0.219 457 A C 1.964 179.743 177.584 0.325 0.000 1.197 457 A CA 1.605 53.783 52.037 0.235 0.000 0.637 457 A CB -0.163 18.945 19.000 0.179 0.000 0.827 457 A HN 0.188 nan 8.150 nan 0.000 0.450 458 E N -0.760 119.592 120.200 0.253 0.000 2.072 458 E HA -0.175 4.176 4.350 0.002 0.000 0.191 458 E C 1.998 178.684 176.600 0.143 0.000 0.985 458 E CA 1.265 57.805 56.400 0.233 0.000 0.801 458 E CB -0.399 29.418 29.700 0.195 0.000 0.750 458 E HN 0.878 nan 8.360 nan 0.000 0.452 459 E N 0.488 120.755 120.200 0.112 0.000 2.072 459 E HA -0.154 4.197 4.350 0.002 0.000 0.191 459 E C 2.016 178.652 176.600 0.060 0.000 0.985 459 E CA 0.671 57.114 56.400 0.072 0.000 0.801 459 E CB 0.101 29.837 29.700 0.059 0.000 0.750 459 E HN 0.050 nan 8.360 nan 0.000 0.452 460 I N 1.065 121.684 120.570 0.081 0.000 2.252 460 I HA -0.210 3.961 4.170 0.002 0.000 0.245 460 I C 2.517 178.630 176.117 -0.008 0.000 1.102 460 I CA 0.733 62.068 61.300 0.058 0.000 1.385 460 I CB -1.073 36.988 38.000 0.101 0.000 1.064 460 I HN 0.308 nan 8.210 nan 0.000 0.414 461 L N 0.767 121.958 121.223 -0.053 0.000 2.005 461 L HA -0.195 4.146 4.340 0.002 0.000 0.207 461 L C 2.575 179.364 176.870 -0.136 0.000 1.072 461 L CA 1.867 56.548 54.840 -0.266 0.000 0.744 461 L CB -0.957 40.848 42.059 -0.424 0.000 0.895 461 L HN 0.222 nan 8.230 nan 0.000 0.433 462 Q N -0.821 118.951 119.800 -0.047 0.000 2.124 462 Q HA -0.193 4.148 4.340 0.002 0.000 0.202 462 Q C 1.985 177.962 176.000 -0.039 0.000 0.977 462 Q CA 2.358 58.142 55.803 -0.032 0.000 0.850 462 Q CB -0.215 28.532 28.738 0.015 0.000 0.901 462 Q HN 0.604 nan 8.270 nan 0.000 0.429 463 T N 0.386 114.933 114.554 -0.012 0.000 2.746 463 T HA -0.176 4.175 4.350 0.002 0.000 0.267 463 T C 1.471 176.157 174.700 -0.024 0.000 1.039 463 T CA 1.485 63.579 62.100 -0.009 0.000 1.142 463 T CB -0.497 68.381 68.868 0.015 0.000 0.866 463 T HN 0.430 nan 8.240 nan 0.000 0.444 464 Y N 1.869 122.080 120.300 -0.147 0.000 2.133 464 Y HA -0.029 4.522 4.550 0.002 0.000 0.287 464 Y C 2.013 177.790 175.900 -0.205 0.000 1.134 464 Y CA 1.070 59.058 58.100 -0.188 0.000 1.133 464 Y CB -0.620 37.671 38.460 -0.282 0.000 0.987 464 Y HN 0.095 nan 8.280 nan 0.000 0.502 465 L N 0.429 121.450 121.223 -0.337 0.000 2.042 465 L HA -0.262 4.079 4.340 0.002 0.000 0.210 465 L C 2.613 179.316 176.870 -0.279 0.000 1.076 465 L CA 2.046 56.659 54.840 -0.378 0.000 0.749 465 L CB -0.637 41.287 42.059 -0.224 0.000 0.893 465 L HN 0.197 nan 8.230 nan 0.000 0.432 466 K N 0.304 120.593 120.400 -0.184 0.000 2.057 466 K HA -0.178 4.143 4.320 0.002 0.000 0.207 466 K C 2.344 178.855 176.600 -0.148 0.000 1.049 466 K CA 1.614 57.825 56.287 -0.128 0.000 0.931 466 K CB -0.030 32.424 32.500 -0.077 0.000 0.714 466 K HN 0.338 nan 8.250 nan 0.000 0.440 467 S N 0.109 115.698 115.700 -0.185 0.000 2.442 467 S HA -0.040 4.431 4.470 0.002 0.000 0.236 467 S C 1.221 175.699 174.600 -0.205 0.000 1.007 467 S CA 0.767 58.867 58.200 -0.166 0.000 0.965 467 S CB 0.046 63.160 63.200 -0.144 0.000 0.773 467 S HN 0.147 nan 8.310 nan 0.000 0.504 468 K N 0.858 121.073 120.400 -0.308 0.000 2.514 468 K HA 0.334 4.655 4.320 0.002 0.000 0.207 468 K C 1.065 177.568 176.600 -0.162 0.000 1.035 468 K CA -0.045 56.081 56.287 -0.268 0.000 1.113 468 K CB 0.221 32.454 32.500 -0.445 0.000 0.846 468 K HN 0.542 nan 8.250 nan 0.000 0.491 469 E N 1.119 121.242 120.200 -0.129 0.000 2.130 469 E HA -0.191 4.160 4.350 0.002 0.000 0.196 469 E C 1.582 178.157 176.600 -0.042 0.000 0.998 469 E CA 1.804 58.162 56.400 -0.070 0.000 0.806 469 E CB 0.228 29.892 29.700 -0.060 0.000 0.738 469 E HN 0.283 nan 8.360 nan 0.000 0.459 470 S N 0.067 115.735 115.700 -0.054 0.000 2.442 470 S HA -0.213 4.258 4.470 0.002 0.000 0.236 470 S C 1.965 176.533 174.600 -0.053 0.000 1.007 470 S CA 1.090 59.262 58.200 -0.046 0.000 0.965 470 S CB -0.225 62.947 63.200 -0.048 0.000 0.773 470 S HN 0.280 nan 8.310 nan 0.000 0.504 471 M N 1.743 121.307 119.600 -0.060 0.000 2.086 471 M HA -0.125 4.356 4.480 0.002 0.000 0.261 471 M C 2.129 178.342 176.300 -0.145 0.000 1.067 471 M CA 1.954 57.193 55.300 -0.100 0.000 1.116 471 M CB -0.794 31.767 32.600 -0.065 0.000 1.348 471 M HN 0.365 nan 8.290 nan 0.000 0.407 472 T N 0.006 114.559 114.554 -0.001 0.000 2.684 472 T HA -0.211 4.141 4.350 0.002 0.000 0.267 472 T C 1.325 176.064 174.700 0.065 0.000 1.036 472 T CA 1.955 64.136 62.100 0.136 0.000 1.148 472 T CB -0.556 68.469 68.868 0.261 0.000 0.863 472 T HN 0.524 nan 8.240 nan 0.000 0.436 473 D N 0.878 121.283 120.400 0.009 0.000 2.144 473 D HA -0.019 4.623 4.640 0.002 0.000 0.199 473 D C 2.198 178.459 176.300 -0.066 0.000 0.984 473 D CA 1.105 55.085 54.000 -0.034 0.000 0.834 473 D CB -0.294 40.486 40.800 -0.033 0.000 0.955 473 D HN 0.349 nan 8.370 nan 0.000 0.465 474 A N 0.392 123.167 122.820 -0.074 0.000 1.902 474 A HA -0.141 4.180 4.320 0.002 0.000 0.217 474 A C 2.183 179.715 177.584 -0.087 0.000 1.181 474 A CA 1.141 53.130 52.037 -0.080 0.000 0.623 474 A CB -0.594 18.354 19.000 -0.087 0.000 0.818 474 A HN 0.306 nan 8.150 nan 0.000 0.443 475 I N -0.722 119.777 120.570 -0.119 0.000 2.353 475 I HA -0.149 4.022 4.170 0.002 0.000 0.248 475 I C 2.418 178.534 176.117 -0.000 0.000 1.119 475 I CA 1.012 62.270 61.300 -0.070 0.000 1.417 475 I CB -1.296 36.584 38.000 -0.201 0.000 1.078 475 I HN 0.360 nan 8.210 nan 0.000 0.421 476 L N 1.091 122.254 121.223 -0.099 0.000 1.994 476 L HA -0.209 4.132 4.340 0.002 0.000 0.208 476 L C 2.505 179.233 176.870 -0.237 0.000 1.071 476 L CA 1.926 56.512 54.840 -0.423 0.000 0.745 476 L CB -0.804 40.905 42.059 -0.583 0.000 0.892 476 L HN 0.191 nan 8.230 nan 0.000 0.431 477 Q N -0.917 118.793 119.800 -0.151 0.000 2.291 477 Q HA -0.123 4.218 4.340 0.002 0.000 0.206 477 Q C 2.083 178.045 176.000 -0.064 0.000 0.976 477 Q CA 1.756 57.499 55.803 -0.099 0.000 0.875 477 Q CB -0.661 28.032 28.738 -0.075 0.000 0.927 477 Q HN 0.570 nan 8.270 nan 0.000 0.450 478 T N 0.755 115.278 114.554 -0.050 0.000 2.896 478 T HA -0.062 4.289 4.350 0.002 0.000 0.263 478 T C 0.628 175.326 174.700 -0.004 0.000 1.050 478 T CA 0.217 62.305 62.100 -0.021 0.000 1.140 478 T CB -0.117 68.746 68.868 -0.009 0.000 0.877 478 T HN 0.194 nan 8.240 nan 0.000 0.457 479 D N 1.633 122.037 120.400 0.006 0.000 2.487 479 D HA 0.023 4.664 4.640 0.002 0.000 0.243 479 D C 0.583 176.889 176.300 0.011 0.000 1.154 479 D CA 0.192 54.213 54.000 0.034 0.000 0.876 479 D CB 1.194 42.042 40.800 0.080 0.000 1.161 479 D HN 0.233 nan 8.370 nan 0.000 0.478 480 Q N 0.840 120.652 119.800 0.020 0.000 2.384 480 Q HA 0.024 4.365 4.340 0.002 0.000 0.207 480 Q C 1.708 177.719 176.000 0.017 0.000 0.904 480 Q CA 0.381 56.190 55.803 0.010 0.000 0.933 480 Q CB 0.053 28.797 28.738 0.010 0.000 1.077 480 Q HN 0.537 nan 8.270 nan 0.000 0.522 481 T N -1.869 112.705 114.554 0.032 0.000 3.215 481 T HA 0.191 4.542 4.350 0.002 0.000 0.254 481 T C 0.292 175.014 174.700 0.037 0.000 1.149 481 T CA 0.119 62.242 62.100 0.037 0.000 1.042 481 T CB -0.181 68.718 68.868 0.052 0.000 0.966 481 T HN 0.063 nan 8.240 nan 0.000 0.534 482 L N 1.739 122.978 121.223 0.026 0.000 2.333 482 L HA 0.426 4.767 4.340 0.002 0.000 0.280 482 L C 0.168 177.036 176.870 -0.003 0.000 1.004 482 L CA -1.001 53.849 54.840 0.016 0.000 0.820 482 L CB 1.958 44.020 42.059 0.004 0.000 1.247 482 L HN 0.021 nan 8.230 nan 0.000 0.416 483 T N 0.791 115.346 114.554 0.001 0.000 2.802 483 T HA 0.006 4.357 4.350 0.002 0.000 0.305 483 T C 1.172 175.862 174.700 -0.017 0.000 1.053 483 T CA -0.532 61.565 62.100 -0.005 0.000 1.058 483 T CB 1.029 69.897 68.868 0.001 0.000 0.988 483 T HN 0.521 nan 8.240 nan 0.000 0.539 484 E N 1.082 121.271 120.200 -0.018 0.000 2.110 484 E HA -0.104 4.247 4.350 0.002 0.000 0.193 484 E C 2.115 178.701 176.600 -0.023 0.000 0.988 484 E CA 1.002 57.387 56.400 -0.025 0.000 0.804 484 E CB -0.018 29.670 29.700 -0.020 0.000 0.745 484 E HN 0.418 nan 8.360 nan 0.000 0.458 485 K N 0.959 121.351 120.400 -0.014 0.000 2.057 485 K HA -0.108 4.213 4.320 0.002 0.000 0.206 485 K C 2.012 178.607 176.600 -0.009 0.000 1.050 485 K CA 0.852 57.134 56.287 -0.010 0.000 0.935 485 K CB -0.211 32.287 32.500 -0.003 0.000 0.715 485 K HN 0.299 nan 8.250 nan 0.000 0.439 486 E N 0.792 120.987 120.200 -0.007 0.000 2.110 486 E HA -0.150 4.202 4.350 0.002 0.000 0.193 486 E C 1.968 178.554 176.600 -0.022 0.000 0.988 486 E CA 1.022 57.421 56.400 -0.002 0.000 0.804 486 E CB -0.006 29.700 29.700 0.010 0.000 0.745 486 E HN 0.286 nan 8.360 nan 0.000 0.458 487 K N 0.885 121.255 120.400 -0.051 0.000 2.097 487 K HA -0.132 4.189 4.320 0.002 0.000 0.205 487 K C 2.013 178.572 176.600 -0.068 0.000 1.050 487 K CA 1.052 57.281 56.287 -0.097 0.000 0.938 487 K CB -0.010 32.424 32.500 -0.109 0.000 0.718 487 K HN 0.153 nan 8.250 nan 0.000 0.442 488 E N 0.712 120.888 120.200 -0.040 0.000 2.110 488 E HA -0.160 4.191 4.350 0.002 0.000 0.193 488 E C 1.950 178.542 176.600 -0.014 0.000 0.988 488 E CA 0.756 57.140 56.400 -0.026 0.000 0.804 488 E CB 0.005 29.694 29.700 -0.018 0.000 0.745 488 E HN 0.182 nan 8.360 nan 0.000 0.458 489 I N 1.495 122.062 120.570 -0.006 0.000 2.252 489 I HA -0.195 3.976 4.170 0.002 0.000 0.245 489 I C 2.227 178.357 176.117 0.021 0.000 1.102 489 I CA 1.258 62.564 61.300 0.010 0.000 1.385 489 I CB -0.882 37.129 38.000 0.018 0.000 1.064 489 I HN 0.075 nan 8.210 nan 0.000 0.414 490 E N 0.658 120.869 120.200 0.018 0.000 2.110 490 E HA -0.126 4.225 4.350 0.002 0.000 0.193 490 E C 2.467 179.090 176.600 0.038 0.000 0.988 490 E CA 0.820 57.250 56.400 0.050 0.000 0.804 490 E CB -0.389 29.321 29.700 0.017 0.000 0.745 490 E HN 0.279 nan 8.360 nan 0.000 0.458 491 V N 1.918 121.829 119.914 -0.005 0.000 2.343 491 V HA -0.208 3.913 4.120 0.002 0.000 0.247 491 V C 2.214 178.316 176.094 0.013 0.000 1.051 491 V CA 1.643 63.941 62.300 -0.002 0.000 1.036 491 V CB -0.337 31.473 31.823 -0.022 0.000 0.654 491 V HN 0.174 nan 8.190 nan 0.000 0.451 492 E N -0.097 120.110 120.200 0.012 0.000 2.152 492 E HA -0.179 4.172 4.350 0.002 0.000 0.192 492 E C 2.296 178.911 176.600 0.024 0.000 0.983 492 E CA 0.829 57.238 56.400 0.015 0.000 0.818 492 E CB -0.275 29.431 29.700 0.011 0.000 0.758 492 E HN 0.523 nan 8.360 nan 0.000 0.467 493 R N 0.821 121.343 120.500 0.036 0.000 2.075 493 R HA -0.076 4.265 4.340 0.002 0.000 0.232 493 R C 2.243 178.571 176.300 0.048 0.000 1.126 493 R CA 1.014 57.140 56.100 0.044 0.000 0.963 493 R CB -0.003 30.333 30.300 0.060 0.000 0.858 493 R HN -0.017 nan 8.270 nan 0.000 0.435 494 V N 1.519 121.469 119.914 0.061 0.000 2.427 494 V HA -0.208 3.913 4.120 0.002 0.000 0.248 494 V C 2.200 178.316 176.094 0.036 0.000 1.051 494 V CA 1.723 64.059 62.300 0.061 0.000 1.048 494 V CB -0.382 31.493 31.823 0.086 0.000 0.666 494 V HN 0.346 nan 8.190 nan 0.000 0.456 495 K N 0.207 120.624 120.400 0.027 0.000 2.097 495 K HA -0.113 4.208 4.320 0.002 0.000 0.206 495 K C 2.294 178.904 176.600 0.016 0.000 1.049 495 K CA 1.440 57.737 56.287 0.016 0.000 0.933 495 K CB -0.338 32.169 32.500 0.011 0.000 0.717 495 K HN 0.483 nan 8.250 nan 0.000 0.442 496 A N 2.129 124.960 122.820 0.019 0.000 1.930 496 A HA -0.201 4.120 4.320 0.002 0.000 0.217 496 A C 1.991 179.587 177.584 0.020 0.000 1.175 496 A CA 1.635 53.683 52.037 0.018 0.000 0.627 496 A CB -0.412 18.599 19.000 0.018 0.000 0.815 496 A HN 0.518 nan 8.150 nan 0.000 0.443 497 E N -0.465 119.750 120.200 0.025 0.000 2.150 497 E HA -0.098 4.253 4.350 0.002 0.000 0.193 497 E C 1.899 178.513 176.600 0.023 0.000 0.985 497 E CA 1.358 57.774 56.400 0.027 0.000 0.814 497 E CB -0.400 29.318 29.700 0.030 0.000 0.752 497 E HN 0.401 nan 8.360 nan 0.000 0.466 498 S N 1.149 116.859 115.700 0.017 0.000 2.368 498 S HA -0.087 4.384 4.470 0.002 0.000 0.224 498 S C 2.184 176.791 174.600 0.011 0.000 1.029 498 S CA 0.994 59.199 58.200 0.008 0.000 0.988 498 S CB -0.257 62.943 63.200 0.001 0.000 0.838 498 S HN 0.515 nan 8.310 nan 0.000 0.462 499 A N 1.248 124.076 122.820 0.013 0.000 1.933 499 A HA -0.145 4.176 4.320 0.002 0.000 0.218 499 A C 2.089 179.685 177.584 0.020 0.000 1.175 499 A CA 1.246 53.291 52.037 0.014 0.000 0.628 499 A CB -0.518 18.489 19.000 0.012 0.000 0.814 499 A HN 0.524 nan 8.150 nan 0.000 0.444 500 Q N -0.823 118.991 119.800 0.022 0.000 2.119 500 Q HA -0.046 4.295 4.340 0.002 0.000 0.201 500 Q C 2.422 178.444 176.000 0.038 0.000 0.972 500 Q CA 1.145 56.963 55.803 0.025 0.000 0.847 500 Q CB -0.323 28.430 28.738 0.024 0.000 0.903 500 Q HN 0.687 nan 8.270 nan 0.000 0.433 501 A N 0.381 123.227 122.820 0.043 0.000 1.933 501 A HA -0.194 4.127 4.320 0.002 0.000 0.218 501 A C 2.161 179.776 177.584 0.051 0.000 1.175 501 A CA 1.713 53.784 52.037 0.058 0.000 0.628 501 A CB -0.679 18.344 19.000 0.039 0.000 0.814 501 A HN 0.315 nan 8.150 nan 0.000 0.444 502 S N -0.308 115.413 115.700 0.035 0.000 2.368 502 S HA -0.046 4.425 4.470 0.002 0.000 0.225 502 S C 2.178 176.805 174.600 0.045 0.000 1.030 502 S CA 1.573 59.792 58.200 0.033 0.000 0.999 502 S CB -0.479 62.733 63.200 0.021 0.000 0.844 502 S HN 0.821 nan 8.310 nan 0.000 0.459 503 A N 1.283 124.129 122.820 0.044 0.000 1.933 503 A HA -0.084 4.237 4.320 0.002 0.000 0.218 503 A C 2.152 179.785 177.584 0.081 0.000 1.175 503 A CA 1.594 53.663 52.037 0.053 0.000 0.628 503 A CB -0.540 18.480 19.000 0.034 0.000 0.814 503 A HN 0.624 nan 8.150 nan 0.000 0.444 504 K N -1.093 119.352 120.400 0.075 0.000 2.097 504 K HA -0.107 4.214 4.320 0.002 0.000 0.206 504 K C 2.164 178.842 176.600 0.129 0.000 1.049 504 K CA 1.414 57.761 56.287 0.100 0.000 0.933 504 K CB -0.255 32.303 32.500 0.097 0.000 0.717 504 K HN 0.542 nan 8.250 nan 0.000 0.442 505 M N 1.211 120.871 119.600 0.101 0.000 2.132 505 M HA -0.110 4.371 4.480 0.002 0.000 0.263 505 M C 1.821 178.163 176.300 0.070 0.000 1.065 505 M CA 1.585 56.936 55.300 0.085 0.000 1.122 505 M CB -0.338 32.300 32.600 0.063 0.000 1.365 505 M HN 0.118 nan 8.290 nan 0.000 0.411 506 L N -0.648 120.617 121.223 0.070 0.000 2.056 506 L HA -0.245 4.096 4.340 0.002 0.000 0.207 506 L C 2.897 179.801 176.870 0.057 0.000 1.078 506 L CA 1.468 56.340 54.840 0.054 0.000 0.749 506 L CB -1.189 40.901 42.059 0.053 0.000 0.901 506 L HN 0.472 nan 8.230 nan 0.000 0.433 507 H N 0.447 119.528 119.070 0.019 0.000 2.357 507 H HA -0.214 4.343 4.556 0.002 0.000 0.301 507 H C 2.097 177.436 175.328 0.018 0.000 1.082 507 H CA 1.950 58.007 56.048 0.015 0.000 1.342 507 H CB 0.258 30.027 29.762 0.012 0.000 1.389 507 H HN 0.447 nan 8.280 nan 0.000 0.511 508 E N 0.285 120.495 120.200 0.016 0.000 2.058 508 E HA -0.220 4.131 4.350 0.002 0.000 0.194 508 E C 2.550 179.104 176.600 -0.077 0.000 0.997 508 E CA 1.436 57.828 56.400 -0.015 0.000 0.801 508 E CB -0.170 29.573 29.700 0.072 0.000 0.746 508 E HN 0.484 nan 8.360 nan 0.000 0.450 509 M N 0.393 119.966 119.600 -0.045 0.000 2.086 509 M HA -0.240 4.241 4.480 0.002 0.000 0.261 509 M C 2.506 178.762 176.300 -0.074 0.000 1.067 509 M CA 1.934 57.210 55.300 -0.040 0.000 1.116 509 M CB -0.078 32.514 32.600 -0.014 0.000 1.348 509 M HN 0.167 nan 8.290 nan 0.000 0.407 510 Q N -0.219 119.516 119.800 -0.109 0.000 2.079 510 Q HA -0.258 4.084 4.340 0.002 0.000 0.200 510 Q C 2.064 177.972 176.000 -0.155 0.000 0.974 510 Q CA 1.711 57.445 55.803 -0.114 0.000 0.840 510 Q CB -0.119 28.557 28.738 -0.103 0.000 0.898 510 Q HN 0.326 nan 8.270 nan 0.000 0.430 511 R N 1.211 121.540 120.500 -0.284 0.000 2.081 511 R HA -0.137 4.204 4.340 0.002 0.000 0.235 511 R C 2.045 178.277 176.300 -0.113 0.000 1.131 511 R CA 2.061 58.017 56.100 -0.240 0.000 0.960 511 R CB -0.369 29.707 30.300 -0.372 0.000 0.856 511 R HN 0.233 nan 8.270 nan 0.000 0.436 512 K N 0.011 120.356 120.400 -0.092 0.000 2.032 512 K HA -0.183 4.139 4.320 0.002 0.000 0.209 512 K C 1.970 178.550 176.600 -0.034 0.000 1.048 512 K CA 1.820 58.080 56.287 -0.044 0.000 0.927 512 K CB -0.386 32.096 32.500 -0.029 0.000 0.712 512 K HN 0.296 nan 8.250 nan 0.000 0.441 513 N N 0.719 119.394 118.700 -0.040 0.000 2.120 513 N HA -0.196 4.545 4.740 0.002 0.000 0.188 513 N C 1.427 176.922 175.510 -0.024 0.000 1.024 513 N CA 1.419 54.452 53.050 -0.028 0.000 0.852 513 N CB 0.044 38.514 38.487 -0.029 0.000 1.003 513 N HN 0.351 nan 8.380 nan 0.000 0.424 514 E N 0.396 120.577 120.200 -0.032 0.000 2.077 514 E HA -0.202 4.149 4.350 0.002 0.000 0.193 514 E C 2.130 178.725 176.600 -0.008 0.000 0.989 514 E CA 1.077 57.465 56.400 -0.020 0.000 0.800 514 E CB -0.078 29.607 29.700 -0.025 0.000 0.746 514 E HN 0.526 nan 8.360 nan 0.000 0.452 515 Q N -0.331 119.462 119.800 -0.011 0.000 2.124 515 Q HA -0.137 4.204 4.340 0.002 0.000 0.202 515 Q C 2.173 178.178 176.000 0.009 0.000 0.977 515 Q CA 1.043 56.848 55.803 0.003 0.000 0.850 515 Q CB 0.007 28.746 28.738 0.002 0.000 0.901 515 Q HN 0.256 nan 8.270 nan 0.000 0.429 516 M N -0.276 119.324 119.600 0.001 0.000 2.132 516 M HA -0.109 4.372 4.480 0.002 0.000 0.263 516 M C 2.113 178.418 176.300 0.008 0.000 1.065 516 M CA 1.566 56.867 55.300 0.002 0.000 1.122 516 M CB -0.712 31.884 32.600 -0.007 0.000 1.365 516 M HN 0.330 nan 8.290 nan 0.000 0.411 517 M N -0.369 119.233 119.600 0.004 0.000 2.117 517 M HA -0.212 4.269 4.480 0.002 0.000 0.262 517 M C 1.956 178.267 176.300 0.018 0.000 1.065 517 M CA 1.598 56.902 55.300 0.005 0.000 1.114 517 M CB -0.526 32.073 32.600 -0.002 0.000 1.361 517 M HN 0.293 nan 8.290 nan 0.000 0.408 518 E N -0.113 120.100 120.200 0.021 0.000 2.110 518 E HA -0.235 4.116 4.350 0.002 0.000 0.193 518 E C 2.101 178.731 176.600 0.050 0.000 0.988 518 E CA 0.951 57.371 56.400 0.032 0.000 0.804 518 E CB -0.265 29.451 29.700 0.027 0.000 0.745 518 E HN 0.465 nan 8.360 nan 0.000 0.458 519 Q N 1.894 121.726 119.800 0.054 0.000 2.119 519 Q HA -0.201 4.140 4.340 0.002 0.000 0.201 519 Q C 2.008 178.069 176.000 0.101 0.000 0.972 519 Q CA 1.413 57.267 55.803 0.084 0.000 0.847 519 Q CB -0.035 28.755 28.738 0.088 0.000 0.903 519 Q HN 0.141 nan 8.270 nan 0.000 0.433 520 K N 0.239 120.683 120.400 0.074 0.000 2.032 520 K HA -0.228 4.093 4.320 0.002 0.000 0.209 520 K C 1.970 178.637 176.600 0.111 0.000 1.048 520 K CA 1.777 58.112 56.287 0.080 0.000 0.927 520 K CB -0.078 32.443 32.500 0.035 0.000 0.712 520 K HN 0.044 nan 8.250 nan 0.000 0.441 521 E N 0.865 121.118 120.200 0.089 0.000 2.072 521 E HA -0.139 4.212 4.350 0.002 0.000 0.191 521 E C 1.932 178.625 176.600 0.155 0.000 0.985 521 E CA 1.456 57.926 56.400 0.117 0.000 0.801 521 E CB 0.026 29.770 29.700 0.073 0.000 0.750 521 E HN 0.255 nan 8.360 nan 0.000 0.452 522 R N -0.197 120.371 120.500 0.113 0.000 2.096 522 R HA -0.022 4.319 4.340 0.002 0.000 0.235 522 R C 2.562 178.920 176.300 0.097 0.000 1.127 522 R CA 1.375 57.530 56.100 0.092 0.000 0.968 522 R CB -0.295 30.046 30.300 0.069 0.000 0.861 522 R HN 0.117 nan 8.270 nan 0.000 0.440 523 S N 0.347 116.129 115.700 0.136 0.000 2.356 523 S HA -0.182 4.289 4.470 0.002 0.000 0.223 523 S C 1.614 176.340 174.600 0.211 0.000 1.032 523 S CA 1.176 59.464 58.200 0.146 0.000 1.005 523 S CB -0.403 62.925 63.200 0.213 0.000 0.867 523 S HN 0.377 nan 8.310 nan 0.000 0.449 524 Y N 2.472 122.844 120.300 0.120 0.000 2.165 524 Y HA -0.183 4.368 4.550 0.002 0.000 0.286 524 Y C 2.419 178.375 175.900 0.094 0.000 1.155 524 Y CA 1.616 59.783 58.100 0.113 0.000 1.164 524 Y CB -0.409 38.083 38.460 0.054 0.000 0.978 524 Y HN 0.145 nan 8.280 nan 0.000 0.513 525 Q N 0.060 119.883 119.800 0.038 0.000 2.167 525 Q HA -0.185 4.156 4.340 0.002 0.000 0.202 525 Q C 2.131 178.078 176.000 -0.087 0.000 0.970 525 Q CA 1.631 57.395 55.803 -0.063 0.000 0.855 525 Q CB -0.270 28.489 28.738 0.035 0.000 0.911 525 Q HN 0.546 nan 8.270 nan 0.000 0.438 526 E N 0.053 120.217 120.200 -0.059 0.000 2.072 526 E HA -0.157 4.194 4.350 0.002 0.000 0.191 526 E C 1.829 178.345 176.600 -0.139 0.000 0.985 526 E CA 1.152 57.490 56.400 -0.102 0.000 0.801 526 E CB -0.061 29.560 29.700 -0.132 0.000 0.750 526 E HN 0.388 nan 8.360 nan 0.000 0.452 527 H N -0.427 118.568 119.070 -0.124 0.000 2.321 527 H HA -0.113 4.444 4.556 0.002 0.000 0.300 527 H C 2.107 177.323 175.328 -0.186 0.000 1.087 527 H CA 1.608 57.573 56.048 -0.137 0.000 1.319 527 H CB -0.357 29.310 29.762 -0.157 0.000 1.379 527 H HN 0.201 nan 8.280 nan 0.000 0.501 528 L N 1.640 122.761 121.223 -0.171 0.000 2.042 528 L HA -0.160 4.181 4.340 0.002 0.000 0.210 528 L C 2.515 179.313 176.870 -0.120 0.000 1.076 528 L CA 1.781 56.488 54.840 -0.222 0.000 0.749 528 L CB -0.543 41.306 42.059 -0.350 0.000 0.893 528 L HN 0.069 nan 8.230 nan 0.000 0.432 529 K N -1.047 119.296 120.400 -0.095 0.000 2.002 529 K HA -0.223 4.098 4.320 0.002 0.000 0.209 529 K C 2.073 178.649 176.600 -0.040 0.000 1.048 529 K CA 1.947 58.199 56.287 -0.058 0.000 0.930 529 K CB -0.184 32.286 32.500 -0.051 0.000 0.714 529 K HN 0.499 nan 8.250 nan 0.000 0.438 530 Q N 0.219 119.997 119.800 -0.037 0.000 2.167 530 Q HA -0.146 4.195 4.340 0.002 0.000 0.202 530 Q C 2.130 178.136 176.000 0.010 0.000 0.970 530 Q CA 0.954 56.750 55.803 -0.010 0.000 0.855 530 Q CB -0.047 28.689 28.738 -0.004 0.000 0.911 530 Q HN 0.266 nan 8.270 nan 0.000 0.438 531 L N 0.414 121.637 121.223 -0.000 0.000 2.027 531 L HA -0.114 4.227 4.340 0.002 0.000 0.206 531 L C 2.075 178.937 176.870 -0.014 0.000 1.074 531 L CA 1.968 56.806 54.840 -0.004 0.000 0.745 531 L CB -0.863 41.143 42.059 -0.089 0.000 0.898 531 L HN 0.045 nan 8.230 nan 0.000 0.433 532 T N -0.559 113.974 114.554 -0.035 0.000 2.759 532 T HA -0.240 4.111 4.350 0.002 0.000 0.269 532 T C 1.735 176.434 174.700 -0.001 0.000 1.042 532 T CA 1.704 63.793 62.100 -0.019 0.000 1.140 532 T CB -0.210 68.642 68.868 -0.027 0.000 0.864 532 T HN 0.535 nan 8.240 nan 0.000 0.455 533 E N 0.849 121.048 120.200 -0.003 0.000 2.107 533 E HA -0.128 4.223 4.350 0.002 0.000 0.191 533 E C 2.268 178.874 176.600 0.010 0.000 0.982 533 E CA 0.930 57.331 56.400 0.002 0.000 0.809 533 E CB -0.024 29.674 29.700 -0.003 0.000 0.756 533 E HN 0.387 nan 8.360 nan 0.000 0.459 534 K N 0.035 120.446 120.400 0.018 0.000 2.103 534 K HA -0.089 4.232 4.320 0.002 0.000 0.204 534 K C 2.168 178.790 176.600 0.037 0.000 1.052 534 K CA 1.205 57.507 56.287 0.025 0.000 0.945 534 K CB 0.004 32.524 32.500 0.034 0.000 0.722 534 K HN 0.182 nan 8.250 nan 0.000 0.443 535 M N 0.632 120.260 119.600 0.047 0.000 2.213 535 M HA -0.131 4.350 4.480 0.002 0.000 0.263 535 M C 2.013 178.338 176.300 0.041 0.000 1.062 535 M CA 1.181 56.517 55.300 0.059 0.000 1.105 535 M CB -0.103 32.541 32.600 0.073 0.000 1.385 535 M HN 0.126 nan 8.290 nan 0.000 0.417 536 E N 0.916 121.133 120.200 0.028 0.000 2.072 536 E HA -0.117 4.234 4.350 0.002 0.000 0.191 536 E C 1.401 178.012 176.600 0.018 0.000 0.985 536 E CA 1.239 57.652 56.400 0.021 0.000 0.801 536 E CB -0.320 29.388 29.700 0.014 0.000 0.750 536 E HN 0.619 nan 8.360 nan 0.000 0.452 537 N N 0.531 119.240 118.700 0.016 0.000 2.188 537 N HA -0.136 4.605 4.740 0.002 0.000 0.184 537 N C 1.327 176.846 175.510 0.014 0.000 1.018 537 N CA 0.951 54.008 53.050 0.011 0.000 0.858 537 N CB 0.041 38.532 38.487 0.007 0.000 0.989 537 N HN 0.097 nan 8.380 nan 0.000 0.426 538 D N 0.670 121.083 120.400 0.023 0.000 2.144 538 D HA -0.122 4.519 4.640 0.002 0.000 0.200 538 D C 1.872 178.186 176.300 0.024 0.000 0.978 538 D CA 0.681 54.697 54.000 0.026 0.000 0.833 538 D CB -0.135 40.690 40.800 0.041 0.000 0.961 538 D HN 0.218 nan 8.370 nan 0.000 0.470 539 R N 0.834 121.350 120.500 0.027 0.000 2.081 539 R HA -0.107 4.234 4.340 0.002 0.000 0.235 539 R C 2.094 178.405 176.300 0.019 0.000 1.131 539 R CA 0.980 57.094 56.100 0.025 0.000 0.960 539 R CB -0.198 30.117 30.300 0.025 0.000 0.856 539 R HN 0.012 nan 8.270 nan 0.000 0.436 540 V N 1.067 120.991 119.914 0.016 0.000 2.343 540 V HA -0.241 3.881 4.120 0.002 0.000 0.247 540 V C 2.415 178.516 176.094 0.012 0.000 1.051 540 V CA 2.046 64.354 62.300 0.013 0.000 1.036 540 V CB -0.580 31.249 31.823 0.010 0.000 0.654 540 V HN 0.389 nan 8.190 nan 0.000 0.451 541 Q N 0.112 119.918 119.800 0.010 0.000 2.084 541 Q HA -0.193 4.149 4.340 0.002 0.000 0.202 541 Q C 1.956 177.963 176.000 0.011 0.000 0.978 541 Q CA 1.938 57.745 55.803 0.007 0.000 0.844 541 Q CB -0.599 28.138 28.738 -0.000 0.000 0.898 541 Q HN 0.518 nan 8.270 nan 0.000 0.426 542 L N -0.236 120.995 121.223 0.014 0.000 2.027 542 L HA -0.066 4.275 4.340 0.002 0.000 0.206 542 L C 2.082 178.964 176.870 0.020 0.000 1.074 542 L CA 1.694 56.545 54.840 0.018 0.000 0.745 542 L CB -1.058 41.014 42.059 0.021 0.000 0.898 542 L HN 0.452 nan 8.230 nan 0.000 0.433 543 L N 0.026 121.260 121.223 0.018 0.000 2.079 543 L HA -0.239 4.102 4.340 0.002 0.000 0.210 543 L C 2.580 179.461 176.870 0.018 0.000 1.081 543 L CA 2.168 57.019 54.840 0.018 0.000 0.752 543 L CB -0.880 41.188 42.059 0.016 0.000 0.896 543 L HN 0.441 nan 8.230 nan 0.000 0.433 544 K N -0.482 119.928 120.400 0.017 0.000 2.057 544 K HA -0.221 4.100 4.320 0.002 0.000 0.207 544 K C 1.946 178.560 176.600 0.022 0.000 1.049 544 K CA 1.946 58.243 56.287 0.017 0.000 0.931 544 K CB -0.154 32.355 32.500 0.014 0.000 0.714 544 K HN 0.507 nan 8.250 nan 0.000 0.440 545 E N 0.250 120.465 120.200 0.024 0.000 2.106 545 E HA -0.202 4.149 4.350 0.002 0.000 0.192 545 E C 2.218 178.839 176.600 0.035 0.000 0.984 545 E CA 1.260 57.680 56.400 0.033 0.000 0.806 545 E CB 0.052 29.774 29.700 0.037 0.000 0.750 545 E HN 0.427 nan 8.360 nan 0.000 0.458 546 Q N 0.521 120.338 119.800 0.029 0.000 2.167 546 Q HA -0.152 4.189 4.340 0.002 0.000 0.202 546 Q C 1.898 177.912 176.000 0.023 0.000 0.970 546 Q CA 0.968 56.787 55.803 0.026 0.000 0.855 546 Q CB 0.032 28.783 28.738 0.022 0.000 0.911 546 Q HN 0.338 nan 8.270 nan 0.000 0.438 547 E N 0.597 120.810 120.200 0.022 0.000 2.150 547 E HA -0.188 4.163 4.350 0.002 0.000 0.193 547 E C 1.998 178.612 176.600 0.023 0.000 0.985 547 E CA 0.616 57.028 56.400 0.020 0.000 0.814 547 E CB -0.063 29.648 29.700 0.018 0.000 0.752 547 E HN 0.227 nan 8.360 nan 0.000 0.466 548 R N 0.840 121.357 120.500 0.027 0.000 2.066 548 R HA -0.104 4.237 4.340 0.002 0.000 0.232 548 R C 2.130 178.449 176.300 0.031 0.000 1.131 548 R CA 1.803 57.922 56.100 0.032 0.000 0.955 548 R CB -0.237 30.086 30.300 0.038 0.000 0.851 548 R HN 0.006 nan 8.270 nan 0.000 0.432 549 T N 1.955 116.527 114.554 0.030 0.000 2.746 549 T HA -0.150 4.202 4.350 0.002 0.000 0.267 549 T C 1.667 176.377 174.700 0.016 0.000 1.039 549 T CA 1.302 63.416 62.100 0.023 0.000 1.142 549 T CB -0.246 68.635 68.868 0.022 0.000 0.866 549 T HN 0.180 nan 8.240 nan 0.000 0.444 550 L N 1.548 122.780 121.223 0.016 0.000 2.046 550 L HA 0.046 4.387 4.340 0.002 0.000 0.208 550 L C 2.592 179.470 176.870 0.015 0.000 1.077 550 L CA 1.956 56.803 54.840 0.012 0.000 0.747 550 L CB -1.076 40.991 42.059 0.013 0.000 0.896 550 L HN 0.218 nan 8.230 nan 0.000 0.432 551 A N -0.571 122.261 122.820 0.019 0.000 1.902 551 A HA -0.160 4.161 4.320 0.002 0.000 0.217 551 A C 2.265 179.863 177.584 0.024 0.000 1.181 551 A CA 1.982 54.032 52.037 0.021 0.000 0.623 551 A CB -0.886 18.129 19.000 0.025 0.000 0.818 551 A HN 0.518 nan 8.150 nan 0.000 0.443 552 L N -0.884 120.354 121.223 0.026 0.000 2.093 552 L HA -0.174 4.167 4.340 0.002 0.000 0.208 552 L C 2.567 179.449 176.870 0.019 0.000 1.085 552 L CA 1.578 56.435 54.840 0.029 0.000 0.755 552 L CB -0.389 41.691 42.059 0.034 0.000 0.904 552 L HN 0.347 nan 8.230 nan 0.000 0.435 553 K N 0.015 120.422 120.400 0.011 0.000 2.103 553 K HA -0.086 4.235 4.320 0.002 0.000 0.204 553 K C 2.117 178.721 176.600 0.007 0.000 1.052 553 K CA 0.953 57.243 56.287 0.004 0.000 0.945 553 K CB -0.084 32.414 32.500 -0.003 0.000 0.722 553 K HN 0.237 nan 8.250 nan 0.000 0.443 554 L N 1.142 122.371 121.223 0.010 0.000 2.056 554 L HA -0.218 4.123 4.340 0.002 0.000 0.207 554 L C 2.854 179.733 176.870 0.014 0.000 1.078 554 L CA 1.266 56.113 54.840 0.012 0.000 0.749 554 L CB -0.397 41.670 42.059 0.013 0.000 0.901 554 L HN 0.302 nan 8.230 nan 0.000 0.433 555 Q N -0.007 119.803 119.800 0.017 0.000 2.030 555 Q HA -0.260 4.081 4.340 0.002 0.000 0.204 555 Q C 2.157 178.167 176.000 0.016 0.000 0.986 555 Q CA 1.635 57.450 55.803 0.020 0.000 0.843 555 Q CB 0.048 28.802 28.738 0.025 0.000 0.904 555 Q HN 0.340 nan 8.270 nan 0.000 0.420 556 E N 0.523 120.730 120.200 0.012 0.000 2.077 556 E HA -0.231 4.120 4.350 0.002 0.000 0.193 556 E C 1.842 178.444 176.600 0.003 0.000 0.989 556 E CA 1.277 57.678 56.400 0.002 0.000 0.800 556 E CB -0.209 29.487 29.700 -0.007 0.000 0.746 556 E HN 0.523 nan 8.360 nan 0.000 0.452 557 Q N 0.654 120.458 119.800 0.007 0.000 2.096 557 Q HA -0.224 4.117 4.340 0.002 0.000 0.204 557 Q C 2.093 178.107 176.000 0.022 0.000 0.982 557 Q CA 1.951 57.761 55.803 0.013 0.000 0.850 557 Q CB -0.103 28.642 28.738 0.012 0.000 0.901 557 Q HN 0.289 nan 8.270 nan 0.000 0.422 558 E N -0.619 119.593 120.200 0.021 0.000 2.072 558 E HA -0.207 4.144 4.350 0.002 0.000 0.191 558 E C 2.143 178.762 176.600 0.031 0.000 0.985 558 E CA 0.964 57.380 56.400 0.026 0.000 0.801 558 E CB 0.138 29.852 29.700 0.022 0.000 0.750 558 E HN 0.401 nan 8.360 nan 0.000 0.452 559 Q N 0.377 120.193 119.800 0.026 0.000 2.084 559 Q HA -0.158 4.183 4.340 0.002 0.000 0.202 559 Q C 2.472 178.497 176.000 0.042 0.000 0.978 559 Q CA 1.045 56.864 55.803 0.028 0.000 0.844 559 Q CB -0.277 28.468 28.738 0.012 0.000 0.898 559 Q HN 0.418 nan 8.270 nan 0.000 0.426 560 L N 0.058 121.303 121.223 0.037 0.000 2.046 560 L HA -0.201 4.140 4.340 0.002 0.000 0.208 560 L C 2.381 179.333 176.870 0.138 0.000 1.077 560 L CA 0.598 55.480 54.840 0.070 0.000 0.747 560 L CB -0.448 41.636 42.059 0.043 0.000 0.896 560 L HN 0.191 nan 8.230 nan 0.000 0.432 561 L N 0.276 121.552 121.223 0.089 0.000 2.027 561 L HA -0.192 4.149 4.340 0.002 0.000 0.206 561 L C 2.510 179.424 176.870 0.075 0.000 1.074 561 L CA 1.795 56.681 54.840 0.077 0.000 0.745 561 L CB -0.512 41.575 42.059 0.047 0.000 0.898 561 L HN 0.048 nan 8.230 nan 0.000 0.433 562 K N 0.071 120.511 120.400 0.067 0.000 2.147 562 K HA -0.212 4.110 4.320 0.002 0.000 0.205 562 K C 2.093 178.744 176.600 0.084 0.000 1.049 562 K CA 1.704 58.027 56.287 0.060 0.000 0.936 562 K CB -0.249 32.280 32.500 0.049 0.000 0.722 562 K HN 0.506 nan 8.250 nan 0.000 0.446 563 E N -1.527 118.751 120.200 0.131 0.000 2.347 563 E HA -0.034 4.317 4.350 0.002 0.000 0.196 563 E C 0.387 177.132 176.600 0.243 0.000 1.008 563 E CA 0.759 57.282 56.400 0.206 0.000 0.852 563 E CB 0.058 29.903 29.700 0.242 0.000 0.783 563 E HN 0.529 nan 8.360 nan 0.000 0.505 564 G N 0.060 108.956 108.800 0.160 0.000 2.148 564 G HA2 -0.214 3.747 3.960 0.002 0.000 0.203 564 G HA3 -0.214 3.747 3.960 0.002 0.000 0.203 564 G C -0.232 174.561 174.900 -0.179 0.000 0.993 564 G CA -0.147 44.938 45.100 -0.026 0.000 0.661 564 G HN 0.144 nan 8.290 nan 0.000 0.518 565 F N 1.507 121.456 119.950 -0.002 0.000 2.291 565 F HA 0.541 5.069 4.527 0.002 0.000 0.368 565 F C 1.393 177.190 175.800 -0.004 0.000 1.085 565 F CA -0.669 57.329 58.000 -0.003 0.000 1.165 565 F CB 1.583 40.581 39.000 -0.002 0.000 1.429 565 F HN -0.008 nan 8.300 nan 0.000 0.503 566 Q N 1.466 121.308 119.800 0.070 0.000 2.137 566 Q HA -0.116 4.225 4.340 0.002 0.000 0.198 566 Q C 2.264 178.301 176.000 0.061 0.000 0.960 566 Q CA 1.019 56.853 55.803 0.051 0.000 0.847 566 Q CB -0.032 28.712 28.738 0.009 0.000 0.915 566 Q HN 0.540 nan 8.270 nan 0.000 0.448 567 K N 0.694 121.136 120.400 0.069 0.000 2.063 567 K HA -0.234 4.087 4.320 0.002 0.000 0.208 567 K C 1.342 177.984 176.600 0.070 0.000 1.048 567 K CA 1.581 57.906 56.287 0.063 0.000 0.928 567 K CB 0.155 32.696 32.500 0.069 0.000 0.713 567 K HN 0.071 nan 8.250 nan 0.000 0.442 568 E N -0.192 120.072 120.200 0.108 0.000 2.122 568 E HA -0.065 4.286 4.350 0.002 0.000 0.190 568 E C 1.918 178.545 176.600 0.045 0.000 0.977 568 E CA 0.891 57.329 56.400 0.065 0.000 0.820 568 E CB -0.032 29.700 29.700 0.052 0.000 0.770 568 E HN 0.196 nan 8.360 nan 0.000 0.462 569 S N 0.213 115.954 115.700 0.068 0.000 2.382 569 S HA -0.143 4.328 4.470 0.002 0.000 0.228 569 S C 1.839 176.456 174.600 0.029 0.000 1.027 569 S CA 1.058 59.286 58.200 0.047 0.000 0.991 569 S CB -0.017 63.220 63.200 0.061 0.000 0.823 569 S HN 0.130 nan 8.310 nan 0.000 0.469 570 R N 0.178 120.696 120.500 0.030 0.000 2.115 570 R HA 0.125 4.466 4.340 0.002 0.000 0.226 570 R C 2.186 178.493 176.300 0.011 0.000 1.100 570 R CA 1.368 57.479 56.100 0.018 0.000 0.980 570 R CB -0.371 29.939 30.300 0.018 0.000 0.875 570 R HN 0.481 nan 8.270 nan 0.000 0.445 571 I N 0.450 121.027 120.570 0.012 0.000 2.394 571 I HA -0.256 3.916 4.170 0.002 0.000 0.251 571 I C 2.218 178.332 176.117 -0.005 0.000 1.136 571 I CA 0.910 62.211 61.300 0.002 0.000 1.425 571 I CB -0.136 37.864 38.000 0.001 0.000 1.079 571 I HN 0.147 nan 8.210 nan 0.000 0.425 572 M N 0.568 120.167 119.600 -0.002 0.000 2.132 572 M HA -0.163 4.318 4.480 0.002 0.000 0.263 572 M C 2.201 178.498 176.300 -0.005 0.000 1.065 572 M CA 1.724 57.020 55.300 -0.007 0.000 1.122 572 M CB -1.041 31.558 32.600 -0.003 0.000 1.365 572 M HN 0.158 nan 8.290 nan 0.000 0.411 573 K N 0.000 120.401 120.400 0.001 0.000 2.152 573 K HA -0.173 4.148 4.320 0.002 0.000 0.206 573 K C 1.878 178.476 176.600 -0.002 0.000 1.048 573 K CA 1.160 57.448 56.287 0.001 0.000 0.933 573 K CB -0.367 32.136 32.500 0.005 0.000 0.721 573 K HN 0.362 nan 8.250 nan 0.000 0.447 574 N N 1.732 120.429 118.700 -0.005 0.000 2.084 574 N HA -0.192 4.549 4.740 0.002 0.000 0.190 574 N C 1.453 176.955 175.510 -0.014 0.000 1.030 574 N CA 1.470 54.516 53.050 -0.008 0.000 0.849 574 N CB 0.120 38.602 38.487 -0.009 0.000 1.012 574 N HN 0.284 nan 8.380 nan 0.000 0.423 575 E N 0.286 120.475 120.200 -0.019 0.000 2.153 575 E HA -0.099 4.252 4.350 0.002 0.000 0.194 575 E C 2.153 178.741 176.600 -0.020 0.000 0.988 575 E CA 0.699 57.082 56.400 -0.027 0.000 0.811 575 E CB 0.030 29.708 29.700 -0.036 0.000 0.746 575 E HN 0.455 nan 8.360 nan 0.000 0.466 576 I N 1.064 121.627 120.570 -0.012 0.000 2.252 576 I HA -0.297 3.874 4.170 0.002 0.000 0.245 576 I C 2.453 178.568 176.117 -0.005 0.000 1.102 576 I CA 1.180 62.476 61.300 -0.007 0.000 1.385 576 I CB -0.221 37.778 38.000 -0.002 0.000 1.064 576 I HN 0.139 nan 8.210 nan 0.000 0.414 577 Q N 0.525 120.322 119.800 -0.005 0.000 2.084 577 Q HA -0.245 4.096 4.340 0.002 0.000 0.202 577 Q C 1.723 177.721 176.000 -0.004 0.000 0.978 577 Q CA 1.913 57.714 55.803 -0.003 0.000 0.844 577 Q CB -0.178 28.559 28.738 -0.002 0.000 0.898 577 Q HN 0.515 nan 8.270 nan 0.000 0.426 578 D N 0.562 120.957 120.400 -0.009 0.000 2.144 578 D HA -0.156 4.485 4.640 0.002 0.000 0.199 578 D C 1.672 177.967 176.300 -0.008 0.000 0.984 578 D CA 0.611 54.604 54.000 -0.011 0.000 0.834 578 D CB -0.063 40.726 40.800 -0.019 0.000 0.955 578 D HN 0.068 nan 8.370 nan 0.000 0.465 579 L N 0.673 121.891 121.223 -0.009 0.000 2.046 579 L HA -0.155 4.186 4.340 0.002 0.000 0.208 579 L C 1.733 178.605 176.870 0.002 0.000 1.077 579 L CA 1.718 56.555 54.840 -0.004 0.000 0.747 579 L CB -0.469 41.588 42.059 -0.004 0.000 0.896 579 L HN 0.017 nan 8.230 nan 0.000 0.432 580 Q N -1.003 118.799 119.800 0.002 0.000 2.291 580 Q HA -0.143 4.198 4.340 0.002 0.000 0.205 580 Q C 1.909 177.913 176.000 0.005 0.000 0.970 580 Q CA 1.694 57.500 55.803 0.005 0.000 0.876 580 Q CB -0.313 28.427 28.738 0.004 0.000 0.935 580 Q HN 0.774 nan 8.270 nan 0.000 0.455 581 T N -1.577 112.979 114.554 0.003 0.000 2.995 581 T HA -0.034 4.317 4.350 0.002 0.000 0.269 581 T C 1.532 176.236 174.700 0.006 0.000 1.091 581 T CA 0.651 62.754 62.100 0.004 0.000 1.128 581 T CB 0.037 68.906 68.868 0.002 0.000 0.891 581 T HN 0.163 nan 8.240 nan 0.000 0.492 582 K N 0.239 120.643 120.400 0.007 0.000 2.365 582 K HA 0.277 4.598 4.320 0.002 0.000 0.197 582 K C 0.977 177.585 176.600 0.012 0.000 1.042 582 K CA 0.233 56.526 56.287 0.009 0.000 0.987 582 K CB -0.112 32.394 32.500 0.010 0.000 0.779 582 K HN 0.428 nan 8.250 nan 0.000 0.484 583 M N 0.000 119.607 119.600 0.012 0.000 2.572 583 M HA 0.000 4.481 4.480 0.002 0.000 0.227 583 M CA 0.000 55.308 55.300 0.013 0.000 0.988 583 M CB 0.000 32.607 32.600 0.012 0.000 1.302 583 M HN 0.000 nan 8.290 nan 0.000 0.411