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 3maw_1_A DATA FIRST_RESID 34 DATA SEQUENCE GRPLAAAGIV VTGDKAVNIY TSSQTGSIIV KLLPNMPKDK EAcAKAPLEA DATA SEQUENCE YNRTLTTLLT PLGDSIRRIX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XNQNAANILR LKESITATNE AVHEVTDGLS QLAVAVGKMQ DATA SEQUENCE QFVNDQFNNT AQELDcIKIT QQVGVELNLY LTELTTVFGP QITSPALTQL DATA SEQUENCE TIQALYNLAG GNMDYLLTKL GVGNNQLSSL IGSGLITGNP ILYDSQTQLL DATA SEQUENCE GIQVTLPSVG NLNNMRATYL ETLSVSTTKG FASALVPKVV TQVGSVIEEL DATA SEQUENCE DTSYcIETDL DLYcTRIVTF PMSPGIYScL NGNTSAcMYS KTEGALTTPY DATA SEQUENCE MTLKGSVIAN cKMTTcRcAD PPGIISQNYG EAVSLIDRHS cNVLSLDGIT DATA SEQUENCE LRLSGEFDAT YQKNISILDS QVIVTGNLDI STELGNVNNS ISNALDKLEE DATA SEQUENCE SNSKLDKVNV 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 34 G HA2 0.000 nan 3.960 nan 0.000 0.244 34 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 34 G C 0.000 174.893 174.900 -0.011 0.000 0.946 34 G CA 0.000 45.090 45.100 -0.018 0.000 0.502 35 R N -0.467 120.027 120.500 -0.011 0.000 2.492 35 R HA 0.451 4.791 4.340 -0.001 0.000 0.219 35 R C -0.102 176.194 176.300 -0.006 0.000 0.886 35 R CA 1.751 57.847 56.100 -0.007 0.000 1.003 35 R CB -1.231 29.066 30.300 -0.006 0.000 1.345 35 R HN 0.505 nan 8.270 nan 0.000 0.631 36 P HA -0.098 nan 4.420 nan 0.000 0.230 36 P C 1.336 178.634 177.300 -0.003 0.000 1.158 36 P CA 0.882 63.980 63.100 -0.003 0.000 0.769 36 P CB -0.193 31.505 31.700 -0.004 0.000 0.807 37 L N -3.268 117.950 121.223 -0.008 0.000 2.465 37 L HA 0.249 4.589 4.340 -0.001 0.000 0.224 37 L C 1.923 178.794 176.870 0.003 0.000 1.145 37 L CA 1.179 56.015 54.840 -0.007 0.000 0.834 37 L CB -1.086 40.962 42.059 -0.018 0.000 0.944 37 L HN -0.204 nan 8.230 nan 0.000 0.451 38 A N 0.310 123.131 122.820 0.001 0.000 2.259 38 A HA 0.493 4.813 4.320 -0.001 0.000 0.208 38 A C 1.993 179.574 177.584 -0.006 0.000 1.201 38 A CA 0.658 52.696 52.037 0.002 0.000 0.824 38 A CB -0.446 18.555 19.000 0.001 0.000 0.838 38 A HN 0.564 nan 8.150 nan 0.000 0.485 39 A N -1.447 121.371 122.820 -0.004 0.000 2.345 39 A HA 0.612 4.932 4.320 -0.001 0.000 0.225 39 A C 1.339 178.920 177.584 -0.004 0.000 1.243 39 A CA 0.746 52.771 52.037 -0.021 0.000 0.875 39 A CB -0.134 18.861 19.000 -0.009 0.000 0.929 39 A HN 0.987 nan 8.150 nan 0.000 0.502 40 A N -2.106 120.737 122.820 0.038 0.000 2.635 40 A HA 0.499 4.819 4.320 -0.001 0.000 0.279 40 A C 1.364 179.024 177.584 0.128 0.000 1.122 40 A CA 0.817 52.928 52.037 0.123 0.000 0.965 40 A CB -0.329 18.776 19.000 0.175 0.000 1.221 40 A HN 1.691 nan 8.150 nan 0.000 0.566 41 G N -0.218 108.614 108.800 0.053 0.000 2.175 41 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.244 41 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.244 41 G C 0.035 174.962 174.900 0.045 0.000 0.982 41 G CA 0.244 45.373 45.100 0.048 0.000 0.641 41 G HN 0.539 nan 8.290 nan 0.000 0.527 42 I N 0.992 121.584 120.570 0.037 0.000 2.315 42 I HA 0.568 4.738 4.170 -0.001 0.000 0.291 42 I C 0.138 176.267 176.117 0.020 0.000 1.006 42 I CA -0.894 60.421 61.300 0.024 0.000 1.265 42 I CB 1.700 39.706 38.000 0.009 0.000 1.387 42 I HN -0.017 nan 8.210 nan 0.000 0.475 43 V N 7.868 127.797 119.914 0.025 0.000 2.588 43 V HA 0.412 4.532 4.120 -0.001 0.000 0.304 43 V C -0.244 175.871 176.094 0.034 0.000 1.042 43 V CA -0.562 61.754 62.300 0.026 0.000 0.877 43 V CB 2.286 34.127 31.823 0.029 0.000 0.996 43 V HN 0.409 nan 8.190 nan 0.000 0.425 44 V N 6.939 126.872 119.914 0.032 0.000 2.439 44 V HA 0.209 4.329 4.120 -0.001 0.000 0.271 44 V C 1.514 177.639 176.094 0.052 0.000 1.040 44 V CA 0.892 63.219 62.300 0.046 0.000 1.002 44 V CB 0.723 32.568 31.823 0.036 0.000 1.000 44 V HN 1.117 nan 8.190 nan 0.000 0.477 45 T N 1.732 116.330 114.554 0.074 0.000 3.021 45 T HA 0.252 4.602 4.350 -0.001 0.000 0.245 45 T C 0.834 175.558 174.700 0.039 0.000 1.028 45 T CA 0.566 62.697 62.100 0.052 0.000 1.139 45 T CB 0.304 69.200 68.868 0.047 0.000 0.884 45 T HN 0.763 nan 8.240 nan 0.000 0.457 46 G N 0.180 109.043 108.800 0.105 0.000 2.481 46 G HA2 0.561 4.520 3.960 -0.001 0.000 0.315 46 G HA3 0.561 4.520 3.960 -0.001 0.000 0.315 46 G C -2.082 172.932 174.900 0.189 0.000 1.231 46 G CA -0.483 44.672 45.100 0.091 0.000 0.968 46 G HN 0.195 nan 8.290 nan 0.000 0.482 47 D N -0.540 119.934 120.400 0.124 0.000 2.365 47 D HA 0.544 5.184 4.640 -0.001 0.000 0.235 47 D C -0.030 176.315 176.300 0.074 0.000 1.368 47 D CA -0.240 53.822 54.000 0.104 0.000 1.001 47 D CB 0.765 41.599 40.800 0.057 0.000 1.364 47 D HN 0.712 nan 8.370 nan 0.000 0.577 48 K N 0.699 121.155 120.400 0.094 0.000 2.444 48 K HA 0.959 5.279 4.320 -0.001 0.000 0.252 48 K C -0.343 176.268 176.600 0.018 0.000 0.993 48 K CA -0.335 55.979 56.287 0.045 0.000 0.847 48 K CB 1.351 33.880 32.500 0.049 0.000 1.340 48 K HN 0.544 nan 8.250 nan 0.000 0.446 49 A N 0.411 123.219 122.820 -0.021 0.000 2.322 49 A HA 0.648 4.967 4.320 -0.001 0.000 0.269 49 A C -0.101 177.451 177.584 -0.052 0.000 1.094 49 A CA -0.358 51.661 52.037 -0.030 0.000 0.807 49 A CB 0.565 19.545 19.000 -0.033 0.000 1.047 49 A HN 0.858 nan 8.150 nan 0.000 0.487 50 V N 2.933 122.829 119.914 -0.030 0.000 2.481 50 V HA 0.378 4.497 4.120 -0.001 0.000 0.286 50 V C -0.319 175.769 176.094 -0.010 0.000 1.042 50 V CA -0.694 61.592 62.300 -0.022 0.000 0.928 50 V CB 1.192 33.014 31.823 -0.002 0.000 0.986 50 V HN 0.910 nan 8.190 nan 0.000 0.462 51 N N 3.554 122.259 118.700 0.008 0.000 2.242 51 N HA 0.577 5.316 4.740 -0.001 0.000 0.292 51 N C -1.459 174.159 175.510 0.180 0.000 1.125 51 N CA -0.582 52.524 53.050 0.092 0.000 0.783 51 N CB 2.583 41.141 38.487 0.117 0.000 1.558 51 N HN 0.339 nan 8.380 nan 0.000 0.472 52 I N 2.224 122.902 120.570 0.180 0.000 2.406 52 I HA 0.337 4.506 4.170 -0.001 0.000 0.290 52 I C -0.412 175.835 176.117 0.216 0.000 0.999 52 I CA -0.688 60.709 61.300 0.160 0.000 1.124 52 I CB 0.466 38.499 38.000 0.055 0.000 1.289 52 I HN 0.526 nan 8.210 nan 0.000 0.441 53 Y N 3.367 123.724 120.300 0.094 0.000 2.598 53 Y HA 0.846 5.396 4.550 -0.001 0.000 0.340 53 Y C -0.469 175.452 175.900 0.035 0.000 1.038 53 Y CA -1.014 57.124 58.100 0.063 0.000 1.100 53 Y CB 2.070 40.567 38.460 0.062 0.000 1.281 53 Y HN 0.500 nan 8.280 nan 0.000 0.488 54 T N 0.863 115.445 114.554 0.046 0.000 3.193 54 T HA 0.298 4.647 4.350 -0.001 0.000 0.332 54 T C -1.264 173.485 174.700 0.083 0.000 1.208 54 T CA -0.722 61.348 62.100 -0.050 0.000 1.080 54 T CB 0.796 69.625 68.868 -0.064 0.000 1.180 54 T HN 0.734 nan 8.240 nan 0.000 0.469 55 S N 3.367 119.117 115.700 0.085 0.000 4.085 55 S HA 0.175 4.645 4.470 -0.001 0.000 0.189 55 S C 0.982 175.607 174.600 0.042 0.000 1.392 55 S CA -0.272 57.980 58.200 0.086 0.000 0.972 55 S CB -0.593 62.663 63.200 0.094 0.000 1.482 55 S HN 0.741 nan 8.310 nan 0.000 0.446 56 S N 0.981 116.700 115.700 0.032 0.000 2.581 56 S HA 0.313 4.783 4.470 -0.001 0.000 0.245 56 S C -0.174 174.436 174.600 0.017 0.000 1.115 56 S CA -0.726 57.485 58.200 0.018 0.000 1.093 56 S CB 0.171 63.376 63.200 0.008 0.000 0.853 56 S HN 0.392 nan 8.310 nan 0.000 0.479 57 Q N 1.395 121.207 119.800 0.020 0.000 2.294 57 Q HA 0.381 4.721 4.340 -0.001 0.000 0.264 57 Q C -1.227 174.785 176.000 0.020 0.000 0.992 57 Q CA -0.010 55.803 55.803 0.017 0.000 0.747 57 Q CB 1.993 30.739 28.738 0.013 0.000 1.262 57 Q HN 0.396 nan 8.270 nan 0.000 0.452 58 T N 0.678 115.244 114.554 0.020 0.000 2.888 58 T HA 0.858 5.208 4.350 -0.001 0.000 0.284 58 T C -0.257 174.458 174.700 0.025 0.000 1.017 58 T CA -0.310 61.804 62.100 0.022 0.000 1.022 58 T CB 1.360 70.240 68.868 0.020 0.000 1.013 58 T HN 0.664 nan 8.240 nan 0.000 0.465 59 G N 0.787 109.603 108.800 0.027 0.000 2.725 59 G HA2 0.600 4.560 3.960 -0.001 0.000 0.288 59 G HA3 0.600 4.560 3.960 -0.001 0.000 0.288 59 G C -1.361 173.557 174.900 0.030 0.000 1.399 59 G CA -0.648 44.470 45.100 0.031 0.000 0.859 59 G HN 0.771 nan 8.290 nan 0.000 0.479 60 S N -0.055 115.663 115.700 0.030 0.000 2.673 60 S HA 0.425 4.895 4.470 -0.001 0.000 0.256 60 S C -0.639 173.975 174.600 0.023 0.000 1.141 60 S CA -0.591 57.623 58.200 0.023 0.000 1.109 60 S CB -0.054 63.155 63.200 0.015 0.000 1.101 60 S HN 0.469 nan 8.310 nan 0.000 0.471 61 I N 5.322 125.907 120.570 0.026 0.000 2.337 61 I HA 0.399 4.569 4.170 -0.001 0.000 0.291 61 I C 0.078 176.168 176.117 -0.046 0.000 1.046 61 I CA -0.366 60.946 61.300 0.020 0.000 1.324 61 I CB 1.060 39.107 38.000 0.079 0.000 1.409 61 I HN 0.578 nan 8.210 nan 0.000 0.494 62 I N 8.075 128.624 120.570 -0.035 0.000 2.307 62 I HA 0.316 4.486 4.170 -0.001 0.000 0.289 62 I C -0.666 175.410 176.117 -0.067 0.000 1.021 62 I CA -0.523 60.746 61.300 -0.051 0.000 1.224 62 I CB 0.894 38.884 38.000 -0.017 0.000 1.376 62 I HN 0.201 nan 8.210 nan 0.000 0.470 63 V N 7.116 126.948 119.914 -0.136 0.000 2.407 63 V HA 0.371 4.491 4.120 -0.001 0.000 0.278 63 V C 0.679 176.773 176.094 0.000 0.000 1.037 63 V CA -0.582 61.641 62.300 -0.129 0.000 0.900 63 V CB 0.977 32.573 31.823 -0.377 0.000 0.983 63 V HN 0.769 nan 8.190 nan 0.000 0.459 64 K N 4.760 125.211 120.400 0.085 0.000 2.231 64 K HA 0.494 4.813 4.320 -0.001 0.000 0.275 64 K C 0.677 177.420 176.600 0.237 0.000 1.105 64 K CA -0.243 56.114 56.287 0.118 0.000 0.931 64 K CB -0.196 32.355 32.500 0.084 0.000 1.296 64 K HN 0.743 nan 8.250 nan 0.000 0.446 65 L N 0.446 121.805 121.223 0.227 0.000 2.079 65 L HA -0.084 4.256 4.340 -0.001 0.000 0.210 65 L C 0.537 177.686 176.870 0.466 0.000 1.081 65 L CA 0.613 55.665 54.840 0.354 0.000 0.752 65 L CB -0.268 41.919 42.059 0.214 0.000 0.896 65 L HN 0.509 nan 8.230 nan 0.000 0.433 66 L N 0.807 122.190 121.223 0.266 0.000 2.261 66 L HA 0.296 4.636 4.340 -0.001 0.000 0.289 66 L C -1.857 175.026 176.870 0.021 0.000 1.059 66 L CA -1.514 53.440 54.840 0.191 0.000 0.816 66 L CB 0.099 42.241 42.059 0.138 0.000 1.191 66 L HN -0.179 nan 8.230 nan 0.000 0.431 67 P HA 0.090 nan 4.420 nan 0.000 0.271 67 P C -0.763 176.449 177.300 -0.146 0.000 1.244 67 P CA -0.319 62.610 63.100 -0.284 0.000 0.793 67 P CB 0.404 31.826 31.700 -0.463 0.000 0.984 68 N N -0.136 118.485 118.700 -0.133 0.000 2.402 68 N HA 0.336 5.076 4.740 -0.001 0.000 0.252 68 N C 0.378 175.842 175.510 -0.076 0.000 1.118 68 N CA -0.503 52.499 53.050 -0.079 0.000 0.945 68 N CB 0.116 38.567 38.487 -0.061 0.000 1.147 68 N HN 0.396 nan 8.380 nan 0.000 0.495 69 M N 1.570 121.134 119.600 -0.060 0.000 2.245 69 M HA 0.275 4.755 4.480 -0.001 0.000 0.330 69 M C -1.887 174.389 176.300 -0.040 0.000 1.098 69 M CA -1.096 54.173 55.300 -0.052 0.000 1.172 69 M CB -1.069 31.509 32.600 -0.038 0.000 1.467 69 M HN 0.346 nan 8.290 nan 0.000 0.454 70 P HA 0.207 nan 4.420 nan 0.000 0.267 70 P C 0.309 177.596 177.300 -0.022 0.000 1.201 70 P CA -0.182 62.901 63.100 -0.028 0.000 0.775 70 P CB 0.524 32.208 31.700 -0.026 0.000 0.854 71 K N 1.718 122.107 120.400 -0.018 0.000 2.283 71 K HA -0.134 4.185 4.320 -0.001 0.000 0.202 71 K C 0.972 177.565 176.600 -0.012 0.000 1.048 71 K CA 1.519 57.798 56.287 -0.014 0.000 0.948 71 K CB -0.673 31.820 32.500 -0.013 0.000 0.742 71 K HN 0.295 nan 8.250 nan 0.000 0.458 72 D N 0.841 121.233 120.400 -0.013 0.000 2.221 72 D HA -0.149 4.491 4.640 -0.001 0.000 0.204 72 D C 0.686 176.980 176.300 -0.010 0.000 0.982 72 D CA 1.942 55.936 54.000 -0.011 0.000 0.857 72 D CB -0.250 40.544 40.800 -0.011 0.000 0.934 72 D HN 0.381 nan 8.370 nan 0.000 0.475 73 K N 0.827 121.220 120.400 -0.012 0.000 3.016 73 K HA -0.215 4.105 4.320 -0.001 0.000 0.262 73 K C 0.283 176.878 176.600 -0.008 0.000 1.043 73 K CA 1.448 57.730 56.287 -0.010 0.000 0.761 73 K CB -2.624 29.871 32.500 -0.008 0.000 1.230 73 K HN 0.586 nan 8.250 nan 0.000 0.485 74 E N -0.858 119.337 120.200 -0.009 0.000 2.373 74 E HA 0.470 4.819 4.350 -0.001 0.000 0.267 74 E C 0.762 177.359 176.600 -0.005 0.000 1.032 74 E CA 0.089 56.485 56.400 -0.007 0.000 0.889 74 E CB 1.314 31.009 29.700 -0.008 0.000 0.984 74 E HN 0.866 nan 8.360 nan 0.000 0.425 75 A N 3.158 125.976 122.820 -0.003 0.000 2.412 75 A HA 0.074 4.394 4.320 -0.001 0.000 0.253 75 A C 1.541 179.125 177.584 -0.000 0.000 1.334 75 A CA -0.003 52.033 52.037 -0.001 0.000 0.929 75 A CB -0.913 18.087 19.000 0.001 0.000 0.983 75 A HN 0.734 nan 8.150 nan 0.000 0.508 76 c N -1.749 116.850 118.600 -0.002 0.000 2.634 76 c HA 0.450 5.019 4.570 -0.001 0.000 0.268 76 c C 2.221 176.310 174.090 -0.002 0.000 1.322 76 c CA 0.905 57.233 56.329 -0.002 0.000 1.737 76 c CB -0.802 41.706 42.510 -0.004 0.000 1.976 76 c HN 0.691 nan 8.230 nan 0.000 0.547 77 A N -0.449 122.369 122.820 -0.004 0.000 2.423 77 A HA 0.190 4.510 4.320 -0.001 0.000 0.246 77 A C 1.912 179.498 177.584 0.003 0.000 1.278 77 A CA 0.049 52.083 52.037 -0.005 0.000 0.903 77 A CB -0.556 18.434 19.000 -0.016 0.000 0.997 77 A HN 0.616 nan 8.150 nan 0.000 0.510 78 K N -0.077 120.328 120.400 0.007 0.000 2.439 78 K HA 0.039 4.359 4.320 -0.001 0.000 0.197 78 K C 1.741 178.354 176.600 0.023 0.000 1.041 78 K CA 0.947 57.243 56.287 0.015 0.000 0.970 78 K CB -0.114 32.394 32.500 0.012 0.000 0.773 78 K HN 0.435 nan 8.250 nan 0.000 0.479 79 A N 1.605 124.437 122.820 0.020 0.000 1.861 79 A HA 0.064 4.384 4.320 -0.001 0.000 0.212 79 A C -0.685 176.922 177.584 0.037 0.000 1.199 79 A CA 0.200 52.252 52.037 0.025 0.000 0.613 79 A CB -1.150 17.861 19.000 0.019 0.000 0.846 79 A HN 0.242 nan 8.150 nan 0.000 0.446 80 P HA -0.101 nan 4.420 nan 0.000 0.217 80 P C 1.563 178.911 177.300 0.081 0.000 1.150 80 P CA 0.645 63.772 63.100 0.045 0.000 0.832 80 P CB -0.023 31.687 31.700 0.016 0.000 0.787 81 L N 0.237 121.500 121.223 0.067 0.000 2.109 81 L HA -0.091 4.249 4.340 -0.001 0.000 0.207 81 L C 2.240 179.197 176.870 0.144 0.000 1.086 81 L CA 1.904 56.813 54.840 0.115 0.000 0.760 81 L CB -1.303 40.795 42.059 0.065 0.000 0.910 81 L HN -0.178 nan 8.230 nan 0.000 0.437 82 E N -0.157 120.096 120.200 0.089 0.000 2.130 82 E HA -0.214 4.136 4.350 -0.001 0.000 0.196 82 E C 2.039 178.685 176.600 0.077 0.000 0.998 82 E CA 1.643 58.086 56.400 0.071 0.000 0.806 82 E CB -0.229 29.499 29.700 0.047 0.000 0.738 82 E HN 0.578 nan 8.360 nan 0.000 0.459 83 A N -0.905 121.970 122.820 0.092 0.000 1.935 83 A HA -0.062 4.258 4.320 -0.001 0.000 0.214 83 A C 2.110 179.760 177.584 0.110 0.000 1.178 83 A CA 1.062 53.149 52.037 0.084 0.000 0.640 83 A CB -0.812 18.235 19.000 0.077 0.000 0.825 83 A HN 0.501 nan 8.150 nan 0.000 0.447 84 Y N 1.368 121.690 120.300 0.036 0.000 2.145 84 Y HA -0.255 4.294 4.550 -0.001 0.000 0.286 84 Y C 2.236 178.167 175.900 0.053 0.000 1.145 84 Y CA 2.209 60.337 58.100 0.048 0.000 1.148 84 Y CB -0.276 38.218 38.460 0.057 0.000 0.981 84 Y HN 0.416 nan 8.280 nan 0.000 0.507 85 N N 0.668 119.416 118.700 0.079 0.000 2.289 85 N HA -0.221 4.518 4.740 -0.001 0.000 0.184 85 N C 1.956 177.436 175.510 -0.049 0.000 1.016 85 N CA 1.488 54.532 53.050 -0.009 0.000 0.872 85 N CB -0.377 38.162 38.487 0.085 0.000 0.973 85 N HN 0.476 nan 8.380 nan 0.000 0.433 86 R N -0.653 119.834 120.500 -0.022 0.000 2.093 86 R HA -0.011 4.329 4.340 -0.001 0.000 0.224 86 R C 1.607 177.880 176.300 -0.044 0.000 1.101 86 R CA 1.706 57.797 56.100 -0.016 0.000 0.979 86 R CB -0.386 29.919 30.300 0.007 0.000 0.877 86 R HN 0.403 nan 8.270 nan 0.000 0.441 87 T N -1.630 112.877 114.554 -0.078 0.000 3.085 87 T HA 0.058 4.408 4.350 -0.001 0.000 0.263 87 T C 1.815 176.433 174.700 -0.136 0.000 1.127 87 T CA 0.372 62.419 62.100 -0.089 0.000 1.103 87 T CB -0.003 68.821 68.868 -0.073 0.000 0.921 87 T HN 0.153 nan 8.240 nan 0.000 0.510 88 L N 1.698 122.807 121.223 -0.190 0.000 2.095 88 L HA 0.011 4.351 4.340 -0.001 0.000 0.204 88 L C 3.246 180.080 176.870 -0.059 0.000 1.080 88 L CA 1.607 56.347 54.840 -0.167 0.000 0.759 88 L CB -0.861 41.072 42.059 -0.210 0.000 0.914 88 L HN 0.464 nan 8.230 nan 0.000 0.439 89 T N -4.662 109.881 114.554 -0.017 0.000 2.915 89 T HA -0.138 4.212 4.350 -0.001 0.000 0.269 89 T C 1.617 176.316 174.700 -0.002 0.000 1.071 89 T CA 1.525 63.647 62.100 0.036 0.000 1.132 89 T CB -0.585 68.308 68.868 0.043 0.000 0.878 89 T HN 0.159 nan 8.240 nan 0.000 0.479 90 T N 1.151 115.689 114.554 -0.027 0.000 3.118 90 T HA 0.261 4.610 4.350 -0.001 0.000 0.260 90 T C 1.331 176.002 174.700 -0.049 0.000 1.139 90 T CA 0.346 62.428 62.100 -0.031 0.000 1.085 90 T CB -0.096 68.755 68.868 -0.028 0.000 0.934 90 T HN 0.197 nan 8.240 nan 0.000 0.518 91 L N -0.477 120.703 121.223 -0.071 0.000 2.717 91 L HA 0.417 4.756 4.340 -0.001 0.000 0.239 91 L C 1.286 178.075 176.870 -0.135 0.000 1.086 91 L CA 0.638 55.425 54.840 -0.088 0.000 0.897 91 L CB 0.243 42.249 42.059 -0.088 0.000 1.214 91 L HN 0.102 nan 8.230 nan 0.000 0.508 92 L N -1.565 119.549 121.223 -0.182 0.000 2.537 92 L HA 0.163 4.502 4.340 -0.001 0.000 0.224 92 L C 2.046 178.652 176.870 -0.441 0.000 1.065 92 L CA 0.748 55.355 54.840 -0.389 0.000 0.860 92 L CB -0.960 40.760 42.059 -0.566 0.000 1.086 92 L HN 0.121 nan 8.230 nan 0.000 0.482 93 T N 1.519 115.962 114.554 -0.185 0.000 2.665 93 T HA -0.124 4.225 4.350 -0.001 0.000 0.268 93 T C -0.450 174.204 174.700 -0.076 0.000 1.035 93 T CA 1.707 63.775 62.100 -0.054 0.000 1.151 93 T CB -0.902 67.979 68.868 0.022 0.000 0.862 93 T HN 0.181 nan 8.240 nan 0.000 0.438 94 P HA -0.049 nan 4.420 nan 0.000 0.215 94 P C 1.634 178.882 177.300 -0.085 0.000 1.153 94 P CA 0.609 63.669 63.100 -0.066 0.000 0.853 94 P CB -0.172 31.491 31.700 -0.062 0.000 0.788 95 L N -0.118 121.018 121.223 -0.146 0.000 1.994 95 L HA 0.002 4.342 4.340 -0.001 0.000 0.208 95 L C 2.270 179.062 176.870 -0.131 0.000 1.071 95 L CA 2.490 57.239 54.840 -0.152 0.000 0.745 95 L CB -1.746 40.184 42.059 -0.216 0.000 0.892 95 L HN -0.037 nan 8.230 nan 0.000 0.431 96 G N -1.238 107.447 108.800 -0.192 0.000 2.448 96 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.219 96 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.219 96 G C 1.310 176.240 174.900 0.050 0.000 1.127 96 G CA 0.896 46.001 45.100 0.008 0.000 0.766 96 G HN 0.524 nan 8.290 nan 0.000 0.552 97 D N 1.401 121.808 120.400 0.012 0.000 2.117 97 D HA -0.140 4.500 4.640 -0.001 0.000 0.198 97 D C 2.582 178.887 176.300 0.008 0.000 0.982 97 D CA 1.559 55.569 54.000 0.017 0.000 0.828 97 D CB -0.363 40.439 40.800 0.004 0.000 0.967 97 D HN 0.325 nan 8.370 nan 0.000 0.464 98 S N -1.115 114.581 115.700 -0.006 0.000 2.720 98 S HA 0.100 4.570 4.470 -0.001 0.000 0.222 98 S C 1.671 176.273 174.600 0.002 0.000 0.958 98 S CA -0.013 58.184 58.200 -0.005 0.000 0.943 98 S CB -0.389 62.802 63.200 -0.015 0.000 0.779 98 S HN 0.410 nan 8.310 nan 0.000 0.526 99 I N -0.200 120.377 120.570 0.012 0.000 4.197 99 I HA 0.247 4.417 4.170 -0.001 0.000 0.307 99 I C 2.470 178.602 176.117 0.026 0.000 1.236 99 I CA -0.258 61.054 61.300 0.021 0.000 1.321 99 I CB -0.053 37.966 38.000 0.031 0.000 1.309 99 I HN 0.190 nan 8.210 nan 0.000 0.450 100 R N 2.016 122.537 120.500 0.035 0.000 2.193 100 R HA -0.023 4.316 4.340 -0.001 0.000 0.229 100 R C 1.309 177.621 176.300 0.020 0.000 1.110 100 R CA 1.245 57.364 56.100 0.031 0.000 0.988 100 R CB 0.138 30.462 30.300 0.039 0.000 0.871 100 R HN 0.275 nan 8.270 nan 0.000 0.458 101 R N -0.198 120.312 120.500 0.016 0.000 2.586 101 R HA 0.360 4.699 4.340 -0.001 0.000 0.336 101 R C -0.324 175.981 176.300 0.009 0.000 1.060 101 R CA -0.114 55.993 56.100 0.011 0.000 1.079 101 R CB 0.692 30.998 30.300 0.009 0.000 1.317 101 R HN 0.147 nan 8.270 nan 0.000 0.568 146 Q N -0.395 119.405 119.800 -0.000 0.000 2.096 146 Q HA -0.027 4.313 4.340 -0.001 0.000 0.197 146 Q C 1.649 177.649 176.000 -0.000 0.000 0.964 146 Q CA 2.241 58.043 55.803 -0.000 0.000 0.838 146 Q CB -0.849 27.889 28.738 -0.000 0.000 0.906 146 Q HN 0.976 nan 8.270 nan 0.000 0.444 147 N N 0.150 118.849 118.700 -0.000 0.000 2.457 147 N HA 0.147 4.887 4.740 -0.001 0.000 0.180 147 N C 1.754 177.264 175.510 -0.000 0.000 1.050 147 N CA 1.362 54.412 53.050 -0.000 0.000 0.906 147 N CB -0.350 38.137 38.487 -0.000 0.000 0.968 147 N HN 0.484 nan 8.380 nan 0.000 0.445 148 A N 0.770 123.590 122.820 -0.000 0.000 2.019 148 A HA 0.187 4.507 4.320 -0.001 0.000 0.219 148 A C 2.366 179.950 177.584 -0.001 0.000 1.164 148 A CA 1.540 53.577 52.037 -0.001 0.000 0.644 148 A CB -0.788 18.211 19.000 -0.001 0.000 0.805 148 A HN 0.479 nan 8.150 nan 0.000 0.449 149 A N -0.148 122.671 122.820 -0.001 0.000 2.119 149 A HA -0.070 4.250 4.320 -0.001 0.000 0.217 149 A C 1.785 179.368 177.584 -0.001 0.000 1.153 149 A CA 1.314 53.350 52.037 -0.001 0.000 0.692 149 A CB -0.369 18.630 19.000 -0.001 0.000 0.799 149 A HN 0.540 nan 8.150 nan 0.000 0.458 150 N N -0.002 118.697 118.700 -0.000 0.000 2.251 150 N HA -0.071 4.668 4.740 -0.001 0.000 0.181 150 N C 1.795 177.305 175.510 -0.000 0.000 1.019 150 N CA 1.705 54.755 53.050 -0.000 0.000 0.862 150 N CB -0.643 37.844 38.487 -0.000 0.000 0.992 150 N HN 0.464 nan 8.380 nan 0.000 0.429 151 I N 0.591 121.160 120.570 -0.000 0.000 2.614 151 I HA 0.027 4.197 4.170 -0.001 0.000 0.258 151 I C 2.240 178.357 176.117 -0.001 0.000 1.189 151 I CA 1.072 62.371 61.300 -0.000 0.000 1.462 151 I CB -1.190 36.809 38.000 -0.000 0.000 1.092 151 I HN 0.054 nan 8.210 nan 0.000 0.442 152 L N -0.052 121.171 121.223 -0.001 0.000 2.249 152 L HA 0.034 4.373 4.340 -0.001 0.000 0.207 152 L C 3.261 180.131 176.870 -0.001 0.000 1.090 152 L CA 1.084 55.923 54.840 -0.001 0.000 0.802 152 L CB -0.681 41.377 42.059 -0.001 0.000 0.947 152 L HN 0.516 nan 8.230 nan 0.000 0.453 153 R N 0.768 121.268 120.500 -0.001 0.000 2.115 153 R HA -0.054 4.286 4.340 -0.001 0.000 0.230 153 R C 1.888 178.188 176.300 -0.000 0.000 1.111 153 R CA 1.375 57.475 56.100 -0.001 0.000 0.976 153 R CB -1.488 28.812 30.300 -0.000 0.000 0.870 153 R HN 0.319 nan 8.270 nan 0.000 0.445 154 L N 0.167 121.390 121.223 -0.000 0.000 2.093 154 L HA -0.115 4.225 4.340 -0.001 0.000 0.208 154 L C 2.886 179.756 176.870 0.000 0.000 1.085 154 L CA 1.904 56.745 54.840 0.000 0.000 0.755 154 L CB -0.329 41.730 42.059 0.001 0.000 0.904 154 L HN 0.459 nan 8.230 nan 0.000 0.435 155 K N 0.947 121.347 120.400 -0.000 0.000 2.026 155 K HA -0.200 4.120 4.320 -0.001 0.000 0.208 155 K C 1.722 178.321 176.600 -0.002 0.000 1.048 155 K CA 1.592 57.878 56.287 -0.001 0.000 0.929 155 K CB -0.016 32.483 32.500 -0.002 0.000 0.713 155 K HN 0.312 nan 8.250 nan 0.000 0.439 156 E N 0.095 120.294 120.200 -0.002 0.000 2.478 156 E HA -0.063 4.287 4.350 -0.001 0.000 0.198 156 E C 1.586 178.185 176.600 -0.001 0.000 1.046 156 E CA 0.535 56.934 56.400 -0.002 0.000 0.870 156 E CB 0.274 29.972 29.700 -0.002 0.000 0.818 156 E HN 0.280 nan 8.360 nan 0.000 0.527 157 S N 0.661 116.362 115.700 0.000 0.000 2.441 157 S HA 0.011 4.481 4.470 -0.001 0.000 0.224 157 S C 2.072 176.674 174.600 0.003 0.000 1.043 157 S CA 0.337 58.537 58.200 0.001 0.000 0.948 157 S CB 0.081 63.282 63.200 0.002 0.000 0.810 157 S HN 0.392 nan 8.310 nan 0.000 0.504 158 I N -1.185 119.387 120.570 0.002 0.000 3.228 158 I HA 0.162 4.332 4.170 -0.001 0.000 0.279 158 I C 2.063 178.182 176.117 0.004 0.000 1.221 158 I CA 0.815 62.117 61.300 0.004 0.000 1.458 158 I CB -0.515 37.487 38.000 0.004 0.000 1.105 158 I HN 0.074 nan 8.210 nan 0.000 0.445 159 T N 0.788 115.343 114.554 0.000 0.000 3.023 159 T HA 0.191 4.540 4.350 -0.001 0.000 0.266 159 T C 1.738 176.436 174.700 -0.003 0.000 1.093 159 T CA 1.348 63.446 62.100 -0.003 0.000 1.129 159 T CB -0.068 68.796 68.868 -0.007 0.000 0.899 159 T HN 0.576 nan 8.240 nan 0.000 0.491 160 A N -0.187 122.633 122.820 0.000 0.000 2.044 160 A HA 0.359 4.679 4.320 -0.001 0.000 0.213 160 A C 2.462 180.051 177.584 0.008 0.000 1.169 160 A CA 1.502 53.540 52.037 0.002 0.000 0.724 160 A CB -1.081 17.920 19.000 0.001 0.000 0.840 160 A HN 0.558 nan 8.150 nan 0.000 0.463 161 T N 0.083 114.642 114.554 0.009 0.000 2.812 161 T HA -0.148 4.202 4.350 -0.001 0.000 0.264 161 T C 1.766 176.478 174.700 0.021 0.000 1.042 161 T CA 1.677 63.785 62.100 0.013 0.000 1.140 161 T CB -0.435 68.439 68.868 0.011 0.000 0.870 161 T HN 0.302 nan 8.240 nan 0.000 0.445 162 N N 0.876 119.588 118.700 0.021 0.000 2.289 162 N HA -0.062 4.678 4.740 -0.001 0.000 0.184 162 N C 1.937 177.476 175.510 0.050 0.000 1.016 162 N CA 1.139 54.210 53.050 0.034 0.000 0.872 162 N CB -0.209 38.293 38.487 0.025 0.000 0.973 162 N HN 0.614 nan 8.380 nan 0.000 0.433 163 E N 0.572 120.789 120.200 0.028 0.000 2.204 163 E HA 0.027 4.376 4.350 -0.001 0.000 0.195 163 E C 1.525 178.158 176.600 0.055 0.000 0.990 163 E CA 1.005 57.422 56.400 0.028 0.000 0.821 163 E CB -0.133 29.570 29.700 0.005 0.000 0.750 163 E HN 0.343 nan 8.360 nan 0.000 0.477 164 A N -0.630 122.215 122.820 0.043 0.000 2.132 164 A HA 0.080 4.399 4.320 -0.001 0.000 0.213 164 A C 2.120 179.729 177.584 0.043 0.000 1.154 164 A CA 0.632 52.692 52.037 0.038 0.000 0.753 164 A CB 0.149 19.162 19.000 0.023 0.000 0.826 164 A HN 0.176 nan 8.150 nan 0.000 0.469 165 V N -1.168 118.778 119.914 0.053 0.000 2.599 165 V HA -0.133 3.986 4.120 -0.001 0.000 0.245 165 V C 2.265 178.392 176.094 0.055 0.000 1.046 165 V CA 1.902 64.228 62.300 0.044 0.000 1.065 165 V CB -0.827 31.019 31.823 0.039 0.000 0.703 165 V HN 0.808 nan 8.190 nan 0.000 0.464 166 H N 0.501 119.571 119.070 -0.000 0.000 2.456 166 H HA -0.095 4.461 4.556 -0.001 0.000 0.296 166 H C 2.268 177.596 175.328 -0.000 0.000 1.079 166 H CA 1.737 57.785 56.048 -0.000 0.000 1.322 166 H CB 0.312 30.074 29.762 -0.000 0.000 1.388 166 H HN 0.443 nan 8.280 nan 0.000 0.538 167 E N -0.376 119.878 120.200 0.091 0.000 2.076 167 E HA -0.087 4.262 4.350 -0.001 0.000 0.190 167 E C 2.355 178.948 176.600 -0.012 0.000 0.979 167 E CA 1.000 57.425 56.400 0.043 0.000 0.807 167 E CB 0.109 29.843 29.700 0.057 0.000 0.761 167 E HN 0.331 nan 8.360 nan 0.000 0.454 168 V N 1.600 121.509 119.914 -0.009 0.000 2.469 168 V HA -0.221 3.899 4.120 -0.001 0.000 0.251 168 V C 2.277 178.345 176.094 -0.045 0.000 1.064 168 V CA 1.942 64.230 62.300 -0.019 0.000 1.066 168 V CB -0.710 31.107 31.823 -0.009 0.000 0.667 168 V HN 0.290 nan 8.190 nan 0.000 0.461 169 T N -0.473 114.032 114.554 -0.081 0.000 2.777 169 T HA -0.148 4.201 4.350 -0.001 0.000 0.266 169 T C 1.622 176.248 174.700 -0.123 0.000 1.040 169 T CA 1.522 63.552 62.100 -0.117 0.000 1.141 169 T CB -0.307 68.448 68.868 -0.189 0.000 0.868 169 T HN 0.477 nan 8.240 nan 0.000 0.444 170 D N 0.936 121.252 120.400 -0.139 0.000 2.144 170 D HA 0.006 4.645 4.640 -0.001 0.000 0.200 170 D C 2.326 178.596 176.300 -0.050 0.000 0.978 170 D CA 0.977 54.920 54.000 -0.095 0.000 0.833 170 D CB -0.692 40.068 40.800 -0.068 0.000 0.961 170 D HN 0.468 nan 8.370 nan 0.000 0.470 171 G N 0.423 109.200 108.800 -0.039 0.000 2.443 171 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.219 171 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.219 171 G C 1.542 176.427 174.900 -0.025 0.000 1.131 171 G CA 0.284 45.369 45.100 -0.025 0.000 0.775 171 G HN 0.228 nan 8.290 nan 0.000 0.547 172 L N 0.376 121.579 121.223 -0.033 0.000 2.168 172 L HA 0.286 4.626 4.340 -0.001 0.000 0.203 172 L C 2.660 179.513 176.870 -0.028 0.000 1.078 172 L CA 1.880 56.703 54.840 -0.028 0.000 0.780 172 L CB -0.335 41.706 42.059 -0.029 0.000 0.939 172 L HN 0.147 nan 8.230 nan 0.000 0.451 173 S N -1.378 114.299 115.700 -0.038 0.000 2.555 173 S HA -0.150 4.320 4.470 -0.001 0.000 0.230 173 S C 1.802 176.387 174.600 -0.025 0.000 0.978 173 S CA 1.198 59.377 58.200 -0.034 0.000 0.934 173 S CB -0.136 63.036 63.200 -0.047 0.000 0.766 173 S HN 0.678 nan 8.310 nan 0.000 0.533 174 Q N -0.477 119.309 119.800 -0.024 0.000 2.378 174 Q HA 0.300 4.640 4.340 -0.001 0.000 0.229 174 Q C 1.852 177.842 176.000 -0.016 0.000 0.882 174 Q CA 0.067 55.859 55.803 -0.018 0.000 0.936 174 Q CB 0.045 28.773 28.738 -0.017 0.000 1.092 174 Q HN 0.596 nan 8.270 nan 0.000 0.535 175 L N 0.063 121.276 121.223 -0.016 0.000 2.179 175 L HA 0.155 4.495 4.340 -0.001 0.000 0.208 175 L C 2.074 178.937 176.870 -0.010 0.000 1.096 175 L CA 1.160 55.992 54.840 -0.014 0.000 0.779 175 L CB -0.145 41.906 42.059 -0.013 0.000 0.922 175 L HN 0.231 nan 8.230 nan 0.000 0.443 176 A N -0.838 121.976 122.820 -0.010 0.000 2.067 176 A HA -0.090 4.229 4.320 -0.001 0.000 0.219 176 A C 2.060 179.642 177.584 -0.003 0.000 1.158 176 A CA 1.593 53.626 52.037 -0.006 0.000 0.661 176 A CB -0.576 18.419 19.000 -0.008 0.000 0.801 176 A HN 0.337 nan 8.150 nan 0.000 0.452 177 V N -0.749 119.161 119.914 -0.006 0.000 2.535 177 V HA -0.076 4.043 4.120 -0.001 0.000 0.246 177 V C 2.919 179.009 176.094 -0.006 0.000 1.045 177 V CA 1.426 63.723 62.300 -0.004 0.000 1.058 177 V CB -0.886 30.933 31.823 -0.007 0.000 0.689 177 V HN 0.546 nan 8.190 nan 0.000 0.461 178 A N -0.101 122.712 122.820 -0.012 0.000 2.019 178 A HA -0.106 4.214 4.320 -0.001 0.000 0.219 178 A C 2.290 179.866 177.584 -0.014 0.000 1.164 178 A CA 1.864 53.890 52.037 -0.020 0.000 0.644 178 A CB -0.396 18.589 19.000 -0.024 0.000 0.805 178 A HN 0.355 nan 8.150 nan 0.000 0.449 179 V N -0.733 119.180 119.914 -0.003 0.000 2.500 179 V HA -0.029 4.091 4.120 -0.001 0.000 0.243 179 V C 2.756 178.863 176.094 0.021 0.000 1.039 179 V CA 1.506 63.811 62.300 0.009 0.000 1.053 179 V CB -1.106 30.722 31.823 0.009 0.000 0.695 179 V HN 0.556 nan 8.190 nan 0.000 0.463 180 G N 0.319 109.130 108.800 0.018 0.000 2.422 180 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.218 180 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.218 180 G C 1.792 176.714 174.900 0.036 0.000 1.146 180 G CA 1.383 46.498 45.100 0.026 0.000 0.769 180 G HN 0.550 nan 8.290 nan 0.000 0.547 181 K N 0.434 120.850 120.400 0.027 0.000 2.148 181 K HA 0.243 4.563 4.320 -0.001 0.000 0.204 181 K C 2.272 178.909 176.600 0.062 0.000 1.050 181 K CA 1.482 57.790 56.287 0.034 0.000 0.942 181 K CB -0.541 31.961 32.500 0.004 0.000 0.724 181 K HN 0.476 nan 8.250 nan 0.000 0.446 182 M N 0.085 119.711 119.600 0.045 0.000 2.492 182 M HA -0.079 4.400 4.480 -0.001 0.000 0.262 182 M C 2.475 178.870 176.300 0.157 0.000 1.090 182 M CA 1.273 56.620 55.300 0.078 0.000 1.110 182 M CB 0.156 32.769 32.600 0.021 0.000 1.407 182 M HN 0.589 nan 8.290 nan 0.000 0.470 183 Q N 0.893 120.760 119.800 0.111 0.000 1.965 183 Q HA -0.267 4.073 4.340 -0.001 0.000 0.200 183 Q C 1.814 177.888 176.000 0.123 0.000 0.981 183 Q CA 2.288 58.155 55.803 0.107 0.000 0.834 183 Q CB -0.341 28.438 28.738 0.069 0.000 0.900 183 Q HN 0.801 nan 8.270 nan 0.000 0.426 184 Q N -0.835 119.031 119.800 0.110 0.000 2.488 184 Q HA -0.113 4.227 4.340 -0.001 0.000 0.211 184 Q C 1.553 177.623 176.000 0.116 0.000 0.967 184 Q CA 0.674 56.532 55.803 0.093 0.000 0.926 184 Q CB -0.263 28.518 28.738 0.071 0.000 0.992 184 Q HN 0.404 nan 8.270 nan 0.000 0.506 185 F N 2.131 122.090 119.950 0.015 0.000 2.092 185 F HA -0.101 4.425 4.527 -0.001 0.000 0.286 185 F C 2.080 177.876 175.800 -0.007 0.000 1.116 185 F CA 1.429 59.428 58.000 -0.001 0.000 1.185 185 F CB -0.453 38.542 39.000 -0.008 0.000 1.034 185 F HN -0.025 nan 8.300 nan 0.000 0.479 186 V N -0.051 119.944 119.914 0.135 0.000 2.568 186 V HA -0.257 3.862 4.120 -0.001 0.000 0.253 186 V C 2.162 178.298 176.094 0.071 0.000 1.072 186 V CA 2.228 64.534 62.300 0.009 0.000 1.084 186 V CB -1.369 30.605 31.823 0.251 0.000 0.676 186 V HN 0.589 nan 8.190 nan 0.000 0.469 187 N N 1.482 120.237 118.700 0.093 0.000 2.171 187 N HA -0.148 4.591 4.740 -0.001 0.000 0.184 187 N C 1.201 176.723 175.510 0.021 0.000 1.021 187 N CA 1.891 55.001 53.050 0.100 0.000 0.854 187 N CB -0.361 38.172 38.487 0.076 0.000 0.994 187 N HN 0.572 nan 8.380 nan 0.000 0.426 188 D N 0.106 120.465 120.400 -0.068 0.000 2.319 188 D HA 0.052 4.692 4.640 -0.001 0.000 0.230 188 D C 1.097 177.265 176.300 -0.219 0.000 1.094 188 D CA 0.269 54.203 54.000 -0.110 0.000 0.856 188 D CB 0.367 41.111 40.800 -0.093 0.000 0.915 188 D HN 0.309 nan 8.370 nan 0.000 0.517 189 Q N -1.342 118.279 119.800 -0.299 0.000 2.422 189 Q HA 0.136 4.475 4.340 -0.001 0.000 0.255 189 Q C 1.316 177.121 176.000 -0.326 0.000 0.864 189 Q CA 0.119 55.672 55.803 -0.417 0.000 0.968 189 Q CB 0.174 28.482 28.738 -0.716 0.000 1.130 189 Q HN 0.256 nan 8.270 nan 0.000 0.556 190 F N 1.703 121.584 119.950 -0.115 0.000 2.219 190 F HA -0.016 4.511 4.527 -0.001 0.000 0.294 190 F C 2.139 177.905 175.800 -0.057 0.000 1.086 190 F CA 0.924 58.884 58.000 -0.067 0.000 1.330 190 F CB -0.219 38.754 39.000 -0.045 0.000 1.047 190 F HN 0.115 nan 8.300 nan 0.000 0.495 191 N N 0.395 119.168 118.700 0.121 0.000 2.396 191 N HA -0.173 4.567 4.740 -0.001 0.000 0.180 191 N C 1.422 176.937 175.510 0.009 0.000 1.028 191 N CA 0.731 53.812 53.050 0.052 0.000 0.893 191 N CB -0.426 38.079 38.487 0.030 0.000 0.967 191 N HN 0.060 nan 8.380 nan 0.000 0.440 192 N N -0.988 117.694 118.700 -0.029 0.000 2.463 192 N HA 0.043 4.783 4.740 -0.001 0.000 0.181 192 N C 0.701 176.187 175.510 -0.041 0.000 1.078 192 N CA 0.790 53.808 53.050 -0.055 0.000 0.902 192 N CB 0.025 38.446 38.487 -0.109 0.000 0.970 192 N HN 0.119 nan 8.380 nan 0.000 0.451 193 T N -1.065 113.479 114.554 -0.016 0.000 3.023 193 T HA 0.265 4.615 4.350 -0.001 0.000 0.249 193 T C 1.697 176.415 174.700 0.030 0.000 1.050 193 T CA 0.495 62.597 62.100 0.004 0.000 1.088 193 T CB 0.029 68.910 68.868 0.022 0.000 0.946 193 T HN 0.263 nan 8.240 nan 0.000 0.480 194 A N 2.267 125.113 122.820 0.043 0.000 2.019 194 A HA -0.159 4.161 4.320 -0.001 0.000 0.219 194 A C 2.201 179.794 177.584 0.016 0.000 1.164 194 A CA 1.452 53.510 52.037 0.034 0.000 0.644 194 A CB -0.476 18.544 19.000 0.034 0.000 0.805 194 A HN 0.703 nan 8.150 nan 0.000 0.449 195 Q N -1.850 117.955 119.800 0.008 0.000 2.384 195 Q HA 0.131 4.471 4.340 -0.001 0.000 0.207 195 Q C 1.168 177.167 176.000 -0.001 0.000 0.904 195 Q CA 0.326 56.129 55.803 0.001 0.000 0.933 195 Q CB 0.066 28.802 28.738 -0.003 0.000 1.077 195 Q HN 0.501 nan 8.270 nan 0.000 0.522 196 E N 1.201 121.401 120.200 -0.001 0.000 2.030 196 E HA -0.044 4.306 4.350 -0.001 0.000 0.189 196 E C 1.950 178.552 176.600 0.002 0.000 0.974 196 E CA 0.642 57.040 56.400 -0.003 0.000 0.807 196 E CB 0.010 29.706 29.700 -0.008 0.000 0.771 196 E HN 0.246 nan 8.360 nan 0.000 0.451 197 L N 2.029 123.256 121.223 0.008 0.000 2.079 197 L HA -0.198 4.142 4.340 -0.001 0.000 0.210 197 L C 2.113 178.987 176.870 0.007 0.000 1.081 197 L CA 1.594 56.440 54.840 0.010 0.000 0.752 197 L CB -0.829 41.241 42.059 0.017 0.000 0.896 197 L HN 0.123 nan 8.230 nan 0.000 0.433 198 D N -1.528 118.875 120.400 0.006 0.000 2.149 198 D HA -0.232 4.408 4.640 -0.001 0.000 0.198 198 D C 2.383 178.683 176.300 0.000 0.000 0.990 198 D CA 1.323 55.324 54.000 0.003 0.000 0.839 198 D CB -0.177 40.624 40.800 0.002 0.000 0.948 198 D HN 0.401 nan 8.370 nan 0.000 0.460 199 c N -0.343 118.257 118.600 0.000 0.000 2.466 199 c HA 0.080 4.650 4.570 -0.001 0.000 0.278 199 c C 2.828 176.918 174.090 -0.000 0.000 1.288 199 c CA 0.078 56.406 56.329 -0.001 0.000 1.722 199 c CB -1.345 41.164 42.510 -0.001 0.000 2.017 199 c HN 0.385 nan 8.230 nan 0.000 0.488 200 I N 0.961 121.532 120.570 0.001 0.000 2.208 200 I HA -0.219 3.950 4.170 -0.001 0.000 0.245 200 I C 2.582 178.700 176.117 0.002 0.000 1.097 200 I CA 1.738 63.040 61.300 0.002 0.000 1.363 200 I CB -0.531 37.471 38.000 0.004 0.000 1.051 200 I HN 0.409 nan 8.210 nan 0.000 0.413 201 K N 0.473 120.874 120.400 0.001 0.000 2.057 201 K HA -0.144 4.176 4.320 -0.001 0.000 0.207 201 K C 2.068 178.666 176.600 -0.003 0.000 1.049 201 K CA 1.193 57.480 56.287 -0.000 0.000 0.931 201 K CB -0.050 32.450 32.500 0.000 0.000 0.714 201 K HN 0.211 nan 8.250 nan 0.000 0.440 202 I N 1.306 121.873 120.570 -0.004 0.000 2.163 202 I HA -0.211 3.959 4.170 -0.001 0.000 0.240 202 I C 2.199 178.311 176.117 -0.009 0.000 1.081 202 I CA 1.615 62.910 61.300 -0.008 0.000 1.353 202 I CB -1.505 36.490 38.000 -0.008 0.000 1.054 202 I HN 0.166 nan 8.210 nan 0.000 0.407 203 T N 0.668 115.219 114.554 -0.005 0.000 2.720 203 T HA -0.263 4.087 4.350 -0.001 0.000 0.268 203 T C 1.810 176.508 174.700 -0.003 0.000 1.037 203 T CA 1.940 64.038 62.100 -0.003 0.000 1.144 203 T CB -0.252 68.617 68.868 0.001 0.000 0.864 203 T HN 0.277 nan 8.240 nan 0.000 0.444 204 Q N 1.554 121.353 119.800 -0.001 0.000 2.002 204 Q HA -0.154 4.186 4.340 -0.001 0.000 0.204 204 Q C 2.625 178.623 176.000 -0.004 0.000 0.988 204 Q CA 2.881 58.684 55.803 0.000 0.000 0.843 204 Q CB -1.084 27.655 28.738 0.002 0.000 0.908 204 Q HN 0.606 nan 8.270 nan 0.000 0.420 205 Q N -0.306 119.489 119.800 -0.008 0.000 2.077 205 Q HA -0.119 4.221 4.340 -0.001 0.000 0.206 205 Q C 2.343 178.330 176.000 -0.021 0.000 0.989 205 Q CA 2.353 58.149 55.803 -0.012 0.000 0.853 205 Q CB -1.342 27.387 28.738 -0.014 0.000 0.907 205 Q HN 0.370 nan 8.270 nan 0.000 0.418 206 V N 0.634 120.532 119.914 -0.026 0.000 2.343 206 V HA -0.153 3.967 4.120 -0.001 0.000 0.247 206 V C 2.712 178.780 176.094 -0.044 0.000 1.051 206 V CA 1.805 64.079 62.300 -0.043 0.000 1.036 206 V CB -1.223 30.576 31.823 -0.040 0.000 0.654 206 V HN 0.738 nan 8.190 nan 0.000 0.451 207 G N -0.220 108.567 108.800 -0.021 0.000 2.440 207 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.218 207 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.218 207 G C 1.628 176.525 174.900 -0.004 0.000 1.154 207 G CA 1.399 46.495 45.100 -0.006 0.000 0.767 207 G HN 0.405 nan 8.290 nan 0.000 0.552 208 V N 0.453 120.364 119.914 -0.004 0.000 2.346 208 V HA -0.054 4.066 4.120 -0.001 0.000 0.244 208 V C 2.558 178.650 176.094 -0.003 0.000 1.037 208 V CA 2.019 64.321 62.300 0.004 0.000 1.029 208 V CB -0.191 31.636 31.823 0.005 0.000 0.663 208 V HN 0.438 nan 8.190 nan 0.000 0.454 209 E N 0.253 120.441 120.200 -0.021 0.000 2.153 209 E HA -0.221 4.129 4.350 -0.001 0.000 0.194 209 E C 1.866 178.435 176.600 -0.052 0.000 0.988 209 E CA 1.151 57.532 56.400 -0.030 0.000 0.811 209 E CB -0.245 29.425 29.700 -0.049 0.000 0.746 209 E HN 0.400 nan 8.360 nan 0.000 0.466 210 L N 0.471 121.634 121.223 -0.100 0.000 2.209 210 L HA 0.049 4.388 4.340 -0.001 0.000 0.207 210 L C 1.641 178.451 176.870 -0.101 0.000 1.094 210 L CA 1.287 55.989 54.840 -0.229 0.000 0.790 210 L CB -0.498 41.357 42.059 -0.339 0.000 0.932 210 L HN 0.120 nan 8.230 nan 0.000 0.447 211 N N -0.429 118.279 118.700 0.013 0.000 2.188 211 N HA -0.103 4.637 4.740 -0.001 0.000 0.184 211 N C 1.854 177.427 175.510 0.104 0.000 1.018 211 N CA 1.230 54.336 53.050 0.094 0.000 0.858 211 N CB -0.151 38.379 38.487 0.072 0.000 0.989 211 N HN 0.337 nan 8.380 nan 0.000 0.426 212 L N -0.517 120.754 121.223 0.080 0.000 2.131 212 L HA -0.193 4.147 4.340 -0.001 0.000 0.210 212 L C 2.195 179.150 176.870 0.140 0.000 1.092 212 L CA 1.023 55.916 54.840 0.088 0.000 0.759 212 L CB -0.432 41.669 42.059 0.069 0.000 0.903 212 L HN 0.164 nan 8.230 nan 0.000 0.435 213 Y N 0.118 120.432 120.300 0.024 0.000 2.286 213 Y HA -0.181 4.368 4.550 -0.001 0.000 0.293 213 Y C 2.253 178.242 175.900 0.148 0.000 1.124 213 Y CA 1.063 59.200 58.100 0.061 0.000 1.178 213 Y CB 0.009 38.471 38.460 0.005 0.000 1.010 213 Y HN 0.018 nan 8.280 nan 0.000 0.536 214 L N -0.592 120.773 121.223 0.236 0.000 2.141 214 L HA -0.099 4.241 4.340 -0.001 0.000 0.209 214 L C 2.303 179.205 176.870 0.052 0.000 1.094 214 L CA 2.468 57.424 54.840 0.193 0.000 0.763 214 L CB -1.156 41.117 42.059 0.356 0.000 0.908 214 L HN 0.287 nan 8.230 nan 0.000 0.437 215 T N -1.897 112.691 114.554 0.056 0.000 3.148 215 T HA -0.084 4.266 4.350 -0.001 0.000 0.253 215 T C 1.651 176.344 174.700 -0.012 0.000 1.134 215 T CA 0.954 63.066 62.100 0.021 0.000 1.051 215 T CB -0.085 68.803 68.868 0.032 0.000 0.959 215 T HN 0.584 nan 8.240 nan 0.000 0.525 216 E N -0.527 119.651 120.200 -0.037 0.000 2.201 216 E HA 0.034 4.383 4.350 -0.001 0.000 0.193 216 E C 1.657 178.193 176.600 -0.107 0.000 0.957 216 E CA 0.223 56.584 56.400 -0.066 0.000 0.858 216 E CB 0.075 29.752 29.700 -0.038 0.000 0.816 216 E HN 0.333 nan 8.360 nan 0.000 0.475 217 L N 1.059 122.190 121.223 -0.153 0.000 2.131 217 L HA -0.066 4.274 4.340 -0.001 0.000 0.206 217 L C 2.611 179.490 176.870 0.015 0.000 1.087 217 L CA 1.965 56.772 54.840 -0.054 0.000 0.767 217 L CB -0.802 41.178 42.059 -0.132 0.000 0.917 217 L HN 0.272 nan 8.230 nan 0.000 0.441 218 T N -5.479 109.063 114.554 -0.019 0.000 3.155 218 T HA -0.073 4.277 4.350 -0.001 0.000 0.264 218 T C 1.424 176.108 174.700 -0.027 0.000 1.160 218 T CA 1.417 63.510 62.100 -0.011 0.000 1.075 218 T CB -0.398 68.460 68.868 -0.016 0.000 0.921 218 T HN 0.258 nan 8.240 nan 0.000 0.533 219 T N 0.514 115.036 114.554 -0.053 0.000 3.056 219 T HA 0.210 4.560 4.350 -0.001 0.000 0.241 219 T C 2.024 176.643 174.700 -0.135 0.000 1.006 219 T CA 0.230 62.283 62.100 -0.079 0.000 1.115 219 T CB -0.060 68.762 68.868 -0.077 0.000 0.939 219 T HN 0.226 nan 8.240 nan 0.000 0.462 220 V N 0.664 120.453 119.914 -0.209 0.000 2.407 220 V HA 0.100 4.220 4.120 -0.001 0.000 0.245 220 V C 1.082 176.803 176.094 -0.623 0.000 1.041 220 V CA 1.375 63.399 62.300 -0.459 0.000 1.040 220 V CB -0.471 30.969 31.823 -0.639 0.000 0.671 220 V HN 0.427 nan 8.190 nan 0.000 0.455 221 F N 0.214 120.140 119.950 -0.039 0.000 2.735 221 F HA 0.471 4.997 4.527 -0.001 0.000 0.304 221 F C 1.812 177.588 175.800 -0.041 0.000 1.119 221 F CA 0.084 58.064 58.000 -0.033 0.000 1.280 221 F CB -0.430 38.551 39.000 -0.031 0.000 0.994 221 F HN 0.048 nan 8.300 nan 0.000 0.520 222 G N 1.964 110.795 108.800 0.052 0.000 2.514 222 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.217 222 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.217 222 G C -0.493 174.420 174.900 0.022 0.000 1.198 222 G CA 0.982 46.095 45.100 0.021 0.000 0.780 222 G HN 0.195 nan 8.290 nan 0.000 0.565 223 P HA -0.135 nan 4.420 nan 0.000 0.217 223 P C 1.749 179.065 177.300 0.027 0.000 1.151 223 P CA 1.506 64.614 63.100 0.013 0.000 0.849 223 P CB -0.003 31.701 31.700 0.008 0.000 0.787 224 Q N -1.307 118.529 119.800 0.061 0.000 2.187 224 Q HA 0.031 4.370 4.340 -0.001 0.000 0.199 224 Q C 2.124 178.134 176.000 0.017 0.000 0.957 224 Q CA 1.006 56.841 55.803 0.054 0.000 0.857 224 Q CB -0.743 28.056 28.738 0.103 0.000 0.929 224 Q HN 0.286 nan 8.270 nan 0.000 0.453 225 I N -0.627 119.953 120.570 0.017 0.000 2.439 225 I HA -0.178 3.992 4.170 -0.001 0.000 0.251 225 I C 2.012 178.106 176.117 -0.039 0.000 1.139 225 I CA 1.256 62.539 61.300 -0.028 0.000 1.438 225 I CB -0.151 37.834 38.000 -0.024 0.000 1.085 225 I HN 0.177 nan 8.210 nan 0.000 0.427 226 T N -1.167 113.375 114.554 -0.020 0.000 3.088 226 T HA 0.046 4.396 4.350 -0.001 0.000 0.259 226 T C 0.617 175.304 174.700 -0.022 0.000 1.122 226 T CA 0.343 62.429 62.100 -0.024 0.000 1.095 226 T CB 0.025 68.883 68.868 -0.017 0.000 0.930 226 T HN 0.197 nan 8.240 nan 0.000 0.508 227 S N -0.443 115.247 115.700 -0.018 0.000 2.533 227 S HA 0.544 5.014 4.470 -0.001 0.000 0.271 227 S C -2.499 172.093 174.600 -0.013 0.000 1.143 227 S CA -1.173 57.019 58.200 -0.014 0.000 0.891 227 S CB 1.971 65.167 63.200 -0.008 0.000 1.105 227 S HN -0.087 nan 8.310 nan 0.000 0.468 228 P HA 0.217 nan 4.420 nan 0.000 0.216 228 P C 0.493 177.793 177.300 -0.000 0.000 1.156 228 P CA 0.614 63.708 63.100 -0.009 0.000 0.855 228 P CB -0.085 31.609 31.700 -0.010 0.000 0.786 229 A N -0.025 122.795 122.820 0.001 0.000 2.364 229 A HA 0.157 4.477 4.320 -0.001 0.000 0.258 229 A C 0.265 177.854 177.584 0.008 0.000 1.131 229 A CA -0.283 51.757 52.037 0.005 0.000 0.800 229 A CB -0.923 18.079 19.000 0.005 0.000 1.086 229 A HN 0.057 nan 8.150 nan 0.000 0.508 230 L N 0.563 121.793 121.223 0.011 0.000 2.525 230 L HA 0.273 4.613 4.340 -0.001 0.000 0.278 230 L C 0.571 177.447 176.870 0.010 0.000 1.218 230 L CA 0.465 55.313 54.840 0.013 0.000 0.878 230 L CB -0.045 42.022 42.059 0.015 0.000 1.127 230 L HN 0.876 nan 8.230 nan 0.000 0.492 231 T N -0.097 114.465 114.554 0.013 0.000 2.933 231 T HA 0.221 4.570 4.350 -0.001 0.000 0.305 231 T C -0.638 174.067 174.700 0.008 0.000 1.092 231 T CA -0.950 61.155 62.100 0.009 0.000 1.008 231 T CB 1.679 70.554 68.868 0.011 0.000 1.102 231 T HN 0.572 nan 8.240 nan 0.000 0.469 232 Q N 2.769 122.567 119.800 -0.002 0.000 2.247 232 Q HA 0.199 4.539 4.340 -0.001 0.000 0.288 232 Q C -0.226 175.770 176.000 -0.006 0.000 1.079 232 Q CA -0.192 55.606 55.803 -0.009 0.000 0.932 232 Q CB 0.199 28.926 28.738 -0.018 0.000 1.133 232 Q HN 0.645 nan 8.270 nan 0.000 0.377 233 L N 2.913 124.136 121.223 -0.002 0.000 2.456 233 L HA 0.072 4.411 4.340 -0.001 0.000 0.266 233 L C 0.534 177.386 176.870 -0.031 0.000 1.258 233 L CA 0.185 55.026 54.840 0.001 0.000 0.823 233 L CB 0.408 42.477 42.059 0.017 0.000 1.100 233 L HN 0.679 nan 8.230 nan 0.000 0.531 234 T N 0.665 115.179 114.554 -0.066 0.000 2.902 234 T HA 0.333 4.683 4.350 -0.001 0.000 0.283 234 T C 1.495 176.148 174.700 -0.080 0.000 1.009 234 T CA -0.566 61.475 62.100 -0.099 0.000 1.051 234 T CB 1.368 70.129 68.868 -0.178 0.000 0.999 234 T HN 0.362 nan 8.240 nan 0.000 0.474 235 I N 1.174 121.707 120.570 -0.062 0.000 2.145 235 I HA -0.300 3.870 4.170 -0.001 0.000 0.244 235 I C 2.540 178.652 176.117 -0.008 0.000 1.075 235 I CA 1.454 62.737 61.300 -0.027 0.000 1.332 235 I CB -0.443 37.532 38.000 -0.042 0.000 1.033 235 I HN 0.571 nan 8.210 nan 0.000 0.410 236 Q N 0.986 120.739 119.800 -0.078 0.000 2.096 236 Q HA -0.143 4.196 4.340 -0.001 0.000 0.204 236 Q C 2.458 178.423 176.000 -0.059 0.000 0.982 236 Q CA 2.106 57.865 55.803 -0.072 0.000 0.850 236 Q CB -0.621 28.020 28.738 -0.161 0.000 0.901 236 Q HN 0.602 nan 8.270 nan 0.000 0.422 237 A N 0.112 122.814 122.820 -0.198 0.000 1.902 237 A HA -0.166 4.154 4.320 -0.001 0.000 0.217 237 A C 2.004 179.616 177.584 0.048 0.000 1.181 237 A CA 1.468 53.407 52.037 -0.164 0.000 0.623 237 A CB -0.675 18.195 19.000 -0.216 0.000 0.818 237 A HN 0.371 nan 8.150 nan 0.000 0.443 238 L N -2.013 119.236 121.223 0.044 0.000 2.072 238 L HA -0.046 4.294 4.340 -0.001 0.000 0.205 238 L C 2.261 179.188 176.870 0.096 0.000 1.079 238 L CA 2.031 56.912 54.840 0.068 0.000 0.752 238 L CB -0.858 41.231 42.059 0.050 0.000 0.906 238 L HN 0.497 nan 8.230 nan 0.000 0.436 239 Y N 0.393 120.691 120.300 -0.003 0.000 2.165 239 Y HA -0.304 4.246 4.550 -0.001 0.000 0.286 239 Y C 2.597 178.513 175.900 0.027 0.000 1.155 239 Y CA 2.292 60.397 58.100 0.008 0.000 1.164 239 Y CB -0.363 38.093 38.460 -0.007 0.000 0.978 239 Y HN 0.455 nan 8.280 nan 0.000 0.513 240 N N -0.097 118.691 118.700 0.146 0.000 2.244 240 N HA -0.175 4.565 4.740 -0.001 0.000 0.183 240 N C 1.913 177.452 175.510 0.048 0.000 1.016 240 N CA 1.019 54.129 53.050 0.101 0.000 0.866 240 N CB -0.180 38.416 38.487 0.183 0.000 0.980 240 N HN 0.426 nan 8.380 nan 0.000 0.430 241 L N 1.616 122.876 121.223 0.061 0.000 2.046 241 L HA 0.007 4.346 4.340 -0.001 0.000 0.208 241 L C 2.152 179.027 176.870 0.009 0.000 1.077 241 L CA 1.762 56.633 54.840 0.051 0.000 0.747 241 L CB -0.867 41.231 42.059 0.065 0.000 0.896 241 L HN 0.148 nan 8.230 nan 0.000 0.432 242 A N -0.983 121.818 122.820 -0.031 0.000 2.235 242 A HA 0.318 4.638 4.320 -0.001 0.000 0.208 242 A C 1.693 179.213 177.584 -0.106 0.000 1.172 242 A CA 0.661 52.671 52.037 -0.045 0.000 0.786 242 A CB -1.222 17.746 19.000 -0.054 0.000 0.804 242 A HN 0.864 nan 8.150 nan 0.000 0.479 243 G N -2.339 106.383 108.800 -0.130 0.000 2.203 243 G HA2 0.064 4.024 3.960 -0.001 0.000 0.263 243 G HA3 0.064 4.024 3.960 -0.001 0.000 0.263 243 G C 1.549 176.308 174.900 -0.235 0.000 1.012 243 G CA 1.096 46.115 45.100 -0.135 0.000 0.749 243 G HN 2.086 nan 8.290 nan 0.000 0.512 244 G N -0.327 108.178 108.800 -0.491 0.000 2.659 244 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.212 244 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.212 244 G C 0.423 175.084 174.900 -0.397 0.000 1.226 244 G CA 0.599 45.287 45.100 -0.688 0.000 0.739 244 G HN 1.669 nan 8.290 nan 0.000 0.528 245 N N 1.542 120.126 118.700 -0.192 0.000 2.394 245 N HA 0.327 5.066 4.740 -0.001 0.000 0.288 245 N C 1.266 176.764 175.510 -0.020 0.000 1.272 245 N CA 0.599 53.606 53.050 -0.072 0.000 1.004 245 N CB 0.643 39.095 38.487 -0.057 0.000 1.393 245 N HN 0.413 nan 8.380 nan 0.000 0.488 246 M N 2.272 121.867 119.600 -0.009 0.000 2.248 246 M HA 0.067 4.547 4.480 -0.001 0.000 0.265 246 M C 0.854 177.192 176.300 0.064 0.000 1.079 246 M CA 1.281 56.598 55.300 0.029 0.000 1.150 246 M CB -0.034 32.606 32.600 0.065 0.000 1.366 246 M HN 0.294 nan 8.290 nan 0.000 0.433 247 D N -1.031 119.413 120.400 0.073 0.000 2.221 247 D HA -0.207 4.432 4.640 -0.001 0.000 0.204 247 D C 1.678 178.028 176.300 0.084 0.000 0.982 247 D CA 1.194 55.236 54.000 0.069 0.000 0.857 247 D CB -0.385 40.455 40.800 0.067 0.000 0.934 247 D HN 0.532 nan 8.370 nan 0.000 0.475 248 Y N 0.547 120.842 120.300 -0.008 0.000 2.243 248 Y HA -0.058 4.491 4.550 -0.001 0.000 0.293 248 Y C 2.037 177.933 175.900 -0.007 0.000 1.124 248 Y CA 0.645 58.740 58.100 -0.008 0.000 1.159 248 Y CB -0.253 38.198 38.460 -0.015 0.000 1.008 248 Y HN -0.073 nan 8.280 nan 0.000 0.527 249 L N 0.436 121.712 121.223 0.089 0.000 2.012 249 L HA -0.217 4.123 4.340 -0.001 0.000 0.210 249 L C 2.071 178.900 176.870 -0.068 0.000 1.073 249 L CA 1.861 56.705 54.840 0.007 0.000 0.748 249 L CB -0.994 41.096 42.059 0.052 0.000 0.891 249 L HN 0.355 nan 8.230 nan 0.000 0.431 250 L N -1.230 119.971 121.223 -0.036 0.000 2.042 250 L HA -0.228 4.112 4.340 -0.001 0.000 0.210 250 L C 2.349 179.179 176.870 -0.067 0.000 1.076 250 L CA 1.798 56.617 54.840 -0.034 0.000 0.749 250 L CB -1.204 40.853 42.059 -0.003 0.000 0.893 250 L HN 0.290 nan 8.230 nan 0.000 0.432 251 T N -0.329 114.161 114.554 -0.107 0.000 2.788 251 T HA -0.206 4.143 4.350 -0.001 0.000 0.268 251 T C 2.290 176.891 174.700 -0.165 0.000 1.044 251 T CA 1.898 63.921 62.100 -0.129 0.000 1.139 251 T CB -0.283 68.492 68.868 -0.156 0.000 0.867 251 T HN 0.483 nan 8.240 nan 0.000 0.454 252 K N 0.973 121.224 120.400 -0.249 0.000 2.283 252 K HA 0.186 4.505 4.320 -0.001 0.000 0.202 252 K C 1.991 178.529 176.600 -0.104 0.000 1.048 252 K CA 0.857 57.016 56.287 -0.213 0.000 0.948 252 K CB -0.862 31.476 32.500 -0.270 0.000 0.742 252 K HN 0.485 nan 8.250 nan 0.000 0.458 253 L N -1.593 119.584 121.223 -0.078 0.000 2.590 253 L HA 0.282 4.622 4.340 -0.001 0.000 0.227 253 L C 1.417 178.277 176.870 -0.015 0.000 1.099 253 L CA 0.400 55.218 54.840 -0.036 0.000 0.872 253 L CB 0.391 42.431 42.059 -0.031 0.000 1.088 253 L HN 0.508 nan 8.230 nan 0.000 0.479 254 G N 1.385 110.172 108.800 -0.023 0.000 2.248 254 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.252 254 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.252 254 G C -0.302 174.612 174.900 0.025 0.000 1.085 254 G CA -0.076 45.025 45.100 0.001 0.000 0.845 254 G HN 0.075 nan 8.290 nan 0.000 0.494 255 V N 0.076 119.999 119.914 0.014 0.000 2.495 255 V HA 0.833 4.952 4.120 -0.001 0.000 0.298 255 V C 1.132 177.245 176.094 0.030 0.000 1.031 255 V CA -0.188 62.133 62.300 0.036 0.000 0.871 255 V CB 1.652 33.489 31.823 0.023 0.000 0.988 255 V HN 0.796 nan 8.190 nan 0.000 0.432 256 G N 2.613 111.440 108.800 0.044 0.000 2.599 256 G HA2 0.211 4.170 3.960 -0.001 0.000 0.264 256 G HA3 0.211 4.170 3.960 -0.001 0.000 0.264 256 G C 0.923 175.845 174.900 0.037 0.000 1.200 256 G CA -0.069 45.052 45.100 0.035 0.000 0.896 256 G HN 0.779 nan 8.290 nan 0.000 0.536 257 N N -0.118 118.601 118.700 0.032 0.000 2.084 257 N HA -0.164 4.575 4.740 -0.001 0.000 0.190 257 N C 0.957 176.488 175.510 0.035 0.000 1.030 257 N CA 1.315 54.385 53.050 0.033 0.000 0.849 257 N CB -0.576 37.930 38.487 0.031 0.000 1.012 257 N HN 0.602 nan 8.380 nan 0.000 0.423 258 N N 0.307 119.026 118.700 0.033 0.000 2.652 258 N HA 0.039 4.778 4.740 -0.001 0.000 0.259 258 N C 0.442 175.976 175.510 0.041 0.000 1.240 258 N CA -0.077 52.992 53.050 0.032 0.000 0.951 258 N CB 0.182 38.684 38.487 0.025 0.000 1.281 258 N HN 0.478 nan 8.380 nan 0.000 0.507 259 Q N 0.190 120.022 119.800 0.053 0.000 1.988 259 Q HA 0.102 4.442 4.340 -0.001 0.000 0.202 259 Q C 0.874 176.929 176.000 0.092 0.000 0.760 259 Q CA -0.078 55.774 55.803 0.083 0.000 0.940 259 Q CB 0.385 29.183 28.738 0.101 0.000 1.214 259 Q HN 0.292 nan 8.270 nan 0.000 0.432 260 L N 0.781 122.039 121.223 0.058 0.000 2.109 260 L HA -0.032 4.308 4.340 -0.001 0.000 0.207 260 L C 2.112 179.005 176.870 0.038 0.000 1.086 260 L CA 2.519 57.385 54.840 0.042 0.000 0.760 260 L CB -0.444 41.635 42.059 0.034 0.000 0.910 260 L HN 0.299 nan 8.230 nan 0.000 0.437 261 S N -1.014 114.710 115.700 0.039 0.000 2.374 261 S HA -0.225 4.245 4.470 -0.001 0.000 0.227 261 S C 2.020 176.646 174.600 0.043 0.000 1.037 261 S CA 1.542 59.760 58.200 0.030 0.000 1.024 261 S CB -1.248 61.967 63.200 0.025 0.000 0.861 261 S HN 0.677 nan 8.310 nan 0.000 0.456 262 S N 1.632 117.379 115.700 0.079 0.000 2.446 262 S HA 0.153 4.622 4.470 -0.001 0.000 0.225 262 S C 1.767 176.470 174.600 0.171 0.000 1.016 262 S CA 0.539 58.816 58.200 0.129 0.000 0.943 262 S CB -0.651 62.639 63.200 0.150 0.000 0.786 262 S HN 0.374 nan 8.310 nan 0.000 0.508 263 L N 1.250 122.537 121.223 0.107 0.000 2.046 263 L HA 0.173 4.512 4.340 -0.001 0.000 0.208 263 L C 2.143 178.943 176.870 -0.117 0.000 1.077 263 L CA 1.463 56.247 54.840 -0.092 0.000 0.747 263 L CB -0.759 41.247 42.059 -0.088 0.000 0.896 263 L HN 0.379 nan 8.230 nan 0.000 0.432 264 I N -0.236 120.307 120.570 -0.046 0.000 2.353 264 I HA 0.042 4.211 4.170 -0.001 0.000 0.248 264 I C 1.790 177.885 176.117 -0.036 0.000 1.119 264 I CA 1.172 62.446 61.300 -0.044 0.000 1.417 264 I CB -0.841 37.146 38.000 -0.023 0.000 1.078 264 I HN 0.245 nan 8.210 nan 0.000 0.421 265 G N -0.240 108.554 108.800 -0.011 0.000 3.530 265 G HA2 0.193 4.153 3.960 -0.001 0.000 0.269 265 G HA3 0.193 4.153 3.960 -0.001 0.000 0.269 265 G C 0.821 175.725 174.900 0.006 0.000 1.314 265 G CA 0.551 45.650 45.100 -0.002 0.000 1.441 265 G HN 0.505 nan 8.290 nan 0.000 0.595 266 S N -2.290 113.394 115.700 -0.027 0.000 2.679 266 S HA 0.369 4.839 4.470 -0.001 0.000 0.258 266 S C 1.580 176.138 174.600 -0.071 0.000 1.068 266 S CA 0.891 59.070 58.200 -0.035 0.000 1.115 266 S CB 0.360 63.520 63.200 -0.067 0.000 1.078 266 S HN 1.447 nan 8.310 nan 0.000 0.603 267 G N 1.776 110.534 108.800 -0.070 0.000 2.143 267 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.248 267 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.248 267 G C 0.443 175.297 174.900 -0.077 0.000 0.991 267 G CA 0.565 45.632 45.100 -0.056 0.000 0.689 267 G HN 0.550 nan 8.290 nan 0.000 0.522 268 L N -0.097 121.044 121.223 -0.136 0.000 2.529 268 L HA 0.297 4.636 4.340 -0.001 0.000 0.223 268 L C 1.018 177.832 176.870 -0.093 0.000 1.113 268 L CA 0.055 54.805 54.840 -0.151 0.000 0.861 268 L CB 0.090 41.960 42.059 -0.314 0.000 1.012 268 L HN 0.183 nan 8.230 nan 0.000 0.461 269 I N 1.334 121.856 120.570 -0.080 0.000 2.373 269 I HA 0.129 4.298 4.170 -0.001 0.000 0.287 269 I C 0.704 176.809 176.117 -0.018 0.000 1.124 269 I CA 0.210 61.483 61.300 -0.045 0.000 1.273 269 I CB -0.608 37.364 38.000 -0.046 0.000 1.578 269 I HN 0.074 nan 8.210 nan 0.000 0.572 270 T N -0.032 114.518 114.554 -0.007 0.000 2.936 270 T HA 0.880 5.229 4.350 -0.001 0.000 0.282 270 T C 0.215 174.928 174.700 0.023 0.000 1.003 270 T CA -0.801 61.303 62.100 0.007 0.000 1.005 270 T CB 2.738 71.610 68.868 0.007 0.000 1.097 270 T HN 0.521 nan 8.240 nan 0.000 0.532 271 G N 0.908 109.727 108.800 0.031 0.000 2.720 271 G HA2 0.573 4.533 3.960 -0.001 0.000 0.295 271 G HA3 0.573 4.533 3.960 -0.001 0.000 0.295 271 G C -1.872 173.051 174.900 0.038 0.000 1.437 271 G CA -1.093 44.033 45.100 0.043 0.000 0.886 271 G HN 1.083 nan 8.290 nan 0.000 0.509 272 N N 0.855 119.575 118.700 0.033 0.000 2.369 272 N HA 0.459 5.199 4.740 -0.001 0.000 0.287 272 N C -3.495 172.025 175.510 0.017 0.000 1.067 272 N CA -1.602 51.462 53.050 0.023 0.000 0.888 272 N CB 2.545 41.042 38.487 0.017 0.000 1.616 272 N HN 0.143 nan 8.380 nan 0.000 0.482 273 P HA 0.161 nan 4.420 nan 0.000 0.267 273 P C 0.606 177.913 177.300 0.013 0.000 1.200 273 P CA -0.118 62.983 63.100 0.003 0.000 0.772 273 P CB 0.709 32.403 31.700 -0.010 0.000 0.855 274 I N -0.375 120.206 120.570 0.019 0.000 4.228 274 I HA 0.394 4.564 4.170 -0.001 0.000 0.298 274 I C 0.022 176.159 176.117 0.034 0.000 1.206 274 I CA 0.244 61.557 61.300 0.022 0.000 1.322 274 I CB 0.457 38.466 38.000 0.016 0.000 1.411 274 I HN 0.095 nan 8.210 nan 0.000 0.454 275 L N 1.563 122.812 121.223 0.043 0.000 2.516 275 L HA 0.516 4.856 4.340 -0.001 0.000 0.267 275 L C -2.041 174.890 176.870 0.100 0.000 0.957 275 L CA -0.799 54.073 54.840 0.054 0.000 0.860 275 L CB 2.565 44.636 42.059 0.021 0.000 1.265 275 L HN 0.232 nan 8.230 nan 0.000 0.403 276 Y N 4.108 124.394 120.300 -0.022 0.000 2.361 276 Y HA 0.521 5.070 4.550 -0.001 0.000 0.337 276 Y C -1.248 174.641 175.900 -0.019 0.000 0.965 276 Y CA -0.736 57.348 58.100 -0.025 0.000 1.091 276 Y CB 1.607 40.051 38.460 -0.027 0.000 1.182 276 Y HN 0.592 nan 8.280 nan 0.000 0.450 277 D N 3.199 123.214 120.400 -0.641 0.000 2.280 277 D HA 0.184 4.824 4.640 -0.001 0.000 0.236 277 D C 0.760 176.524 176.300 -0.892 0.000 1.082 277 D CA 0.135 53.774 54.000 -0.602 0.000 0.834 277 D CB 1.743 42.379 40.800 -0.274 0.000 1.100 277 D HN 0.633 nan 8.370 nan 0.000 0.486 278 S N 3.032 118.302 115.700 -0.717 0.000 2.383 278 S HA -0.224 4.246 4.470 -0.001 0.000 0.227 278 S C 1.654 176.139 174.600 -0.192 0.000 1.026 278 S CA 0.925 58.874 58.200 -0.419 0.000 0.981 278 S CB -0.205 62.903 63.200 -0.154 0.000 0.818 278 S HN 0.653 nan 8.310 nan 0.000 0.472 279 Q N 1.223 120.924 119.800 -0.165 0.000 1.969 279 Q HA -0.087 4.253 4.340 -0.001 0.000 0.198 279 Q C 1.860 177.818 176.000 -0.069 0.000 0.978 279 Q CA 1.902 57.652 55.803 -0.087 0.000 0.830 279 Q CB -0.568 28.127 28.738 -0.072 0.000 0.896 279 Q HN 0.576 nan 8.270 nan 0.000 0.431 280 T N 0.831 115.334 114.554 -0.085 0.000 2.962 280 T HA -0.068 4.282 4.350 -0.001 0.000 0.270 280 T C -0.094 174.590 174.700 -0.027 0.000 1.088 280 T CA 0.643 62.714 62.100 -0.048 0.000 1.127 280 T CB 0.042 68.879 68.868 -0.051 0.000 0.883 280 T HN 0.365 nan 8.240 nan 0.000 0.493 281 Q N -0.201 119.561 119.800 -0.064 0.000 2.459 281 Q HA -0.146 4.194 4.340 -0.001 0.000 0.314 281 Q C -0.982 175.046 176.000 0.048 0.000 1.432 281 Q CA 0.225 56.038 55.803 0.016 0.000 0.823 281 Q CB -1.794 26.991 28.738 0.078 0.000 1.124 281 Q HN 0.393 nan 8.270 nan 0.000 0.392 282 L N 1.111 122.327 121.223 -0.011 0.000 2.345 282 L HA 0.501 4.841 4.340 -0.001 0.000 0.274 282 L C -0.919 175.979 176.870 0.047 0.000 0.999 282 L CA -0.729 54.120 54.840 0.015 0.000 0.849 282 L CB 1.261 43.309 42.059 -0.018 0.000 1.220 282 L HN 0.301 nan 8.230 nan 0.000 0.422 283 L N 4.513 125.777 121.223 0.067 0.000 2.312 283 L HA 0.829 5.168 4.340 -0.001 0.000 0.281 283 L C 0.230 177.086 176.870 -0.024 0.000 1.070 283 L CA 0.168 55.047 54.840 0.064 0.000 0.805 283 L CB 1.421 43.477 42.059 -0.004 0.000 1.174 283 L HN 0.668 nan 8.230 nan 0.000 0.434 284 G N 6.193 114.991 108.800 -0.002 0.000 2.544 284 G HA2 0.644 4.604 3.960 -0.001 0.000 0.313 284 G HA3 0.644 4.604 3.960 -0.001 0.000 0.313 284 G C -1.113 173.771 174.900 -0.026 0.000 1.316 284 G CA -0.437 44.649 45.100 -0.023 0.000 0.944 284 G HN 0.593 nan 8.290 nan 0.000 0.489 285 I N 0.928 121.474 120.570 -0.039 0.000 2.509 285 I HA 0.339 4.508 4.170 -0.001 0.000 0.293 285 I C -0.166 175.957 176.117 0.010 0.000 1.020 285 I CA -0.792 60.499 61.300 -0.015 0.000 1.088 285 I CB 2.645 40.634 38.000 -0.018 0.000 1.267 285 I HN 0.379 nan 8.210 nan 0.000 0.430 286 Q N 5.221 125.032 119.800 0.019 0.000 2.331 286 Q HA 0.460 4.799 4.340 -0.001 0.000 0.257 286 Q C -1.461 174.559 176.000 0.032 0.000 0.957 286 Q CA -0.519 55.298 55.803 0.023 0.000 0.923 286 Q CB 1.541 30.291 28.738 0.020 0.000 1.212 286 Q HN 0.516 nan 8.270 nan 0.000 0.443 287 V N 3.483 123.419 119.914 0.036 0.000 2.617 287 V HA 0.471 4.591 4.120 -0.001 0.000 0.298 287 V C 0.066 176.178 176.094 0.031 0.000 1.048 287 V CA -0.444 61.880 62.300 0.040 0.000 0.964 287 V CB 1.679 33.532 31.823 0.050 0.000 1.004 287 V HN 0.943 nan 8.190 nan 0.000 0.466 288 T N 3.035 117.605 114.554 0.027 0.000 2.890 288 T HA 0.745 5.095 4.350 -0.001 0.000 0.295 288 T C -0.983 173.726 174.700 0.015 0.000 0.993 288 T CA -0.573 61.541 62.100 0.023 0.000 0.979 288 T CB 0.769 69.652 68.868 0.026 0.000 0.967 288 T HN 0.337 nan 8.240 nan 0.000 0.441 289 L N 4.202 125.434 121.223 0.014 0.000 2.333 289 L HA 0.712 5.052 4.340 -0.001 0.000 0.269 289 L C -2.361 174.515 176.870 0.011 0.000 1.010 289 L CA -2.738 52.102 54.840 0.001 0.000 0.818 289 L CB 2.611 44.669 42.059 -0.001 0.000 1.306 289 L HN 0.424 nan 8.230 nan 0.000 0.430 290 P HA 0.155 nan 4.420 nan 0.000 0.287 290 P C -1.119 176.200 177.300 0.032 0.000 1.270 290 P CA -0.623 62.503 63.100 0.043 0.000 0.844 290 P CB 1.929 33.632 31.700 0.005 0.000 1.068 291 S N 1.398 117.137 115.700 0.066 0.000 2.520 291 S HA 0.356 4.825 4.470 -0.001 0.000 0.324 291 S C -0.599 174.051 174.600 0.084 0.000 1.069 291 S CA -0.665 57.563 58.200 0.047 0.000 1.121 291 S CB -0.280 62.936 63.200 0.027 0.000 0.971 291 S HN 0.321 nan 8.310 nan 0.000 0.463 292 V N 4.960 124.925 119.914 0.085 0.000 2.532 292 V HA 0.894 5.014 4.120 -0.001 0.000 0.295 292 V C 0.387 176.544 176.094 0.105 0.000 1.041 292 V CA -0.161 62.225 62.300 0.143 0.000 0.926 292 V CB 1.477 33.413 31.823 0.189 0.000 0.992 292 V HN 0.926 nan 8.190 nan 0.000 0.457 293 G N 5.151 114.016 108.800 0.108 0.000 2.744 293 G HA2 0.264 4.224 3.960 -0.001 0.000 0.309 293 G HA3 0.264 4.224 3.960 -0.001 0.000 0.309 293 G C -0.295 174.648 174.900 0.073 0.000 1.328 293 G CA -0.596 44.546 45.100 0.070 0.000 1.034 293 G HN 0.882 nan 8.290 nan 0.000 0.518 294 N N 2.244 120.983 118.700 0.065 0.000 2.454 294 N HA 0.118 4.858 4.740 -0.001 0.000 0.254 294 N C -0.391 175.138 175.510 0.032 0.000 1.228 294 N CA -0.007 53.074 53.050 0.052 0.000 0.900 294 N CB 0.602 39.116 38.487 0.044 0.000 1.089 294 N HN 0.238 nan 8.380 nan 0.000 0.449 295 L N 3.100 124.337 121.223 0.023 0.000 2.316 295 L HA 0.345 4.685 4.340 -0.001 0.000 0.280 295 L C -0.361 176.514 176.870 0.008 0.000 1.006 295 L CA -0.997 53.851 54.840 0.013 0.000 0.836 295 L CB 1.278 43.343 42.059 0.010 0.000 1.221 295 L HN 0.572 nan 8.230 nan 0.000 0.418 296 N N 1.939 120.644 118.700 0.008 0.000 2.445 296 N HA 0.154 4.894 4.740 -0.001 0.000 0.264 296 N C 0.914 176.426 175.510 0.005 0.000 1.227 296 N CA -0.220 52.834 53.050 0.006 0.000 0.963 296 N CB 0.573 39.064 38.487 0.007 0.000 1.188 296 N HN 0.584 nan 8.380 nan 0.000 0.491 297 N N -1.008 117.695 118.700 0.005 0.000 2.929 297 N HA -0.240 4.500 4.740 -0.001 0.000 0.234 297 N C -0.592 174.921 175.510 0.005 0.000 0.908 297 N CA 1.241 54.294 53.050 0.005 0.000 0.993 297 N CB -0.904 37.586 38.487 0.005 0.000 1.075 297 N HN 0.737 nan 8.380 nan 0.000 0.603 298 M N 1.007 120.609 119.600 0.003 0.000 2.114 298 M HA 0.377 4.856 4.480 -0.001 0.000 0.332 298 M C -1.176 175.124 176.300 0.000 0.000 1.014 298 M CA -0.538 54.763 55.300 0.001 0.000 0.956 298 M CB 0.830 33.429 32.600 -0.002 0.000 1.551 298 M HN 0.052 nan 8.290 nan 0.000 0.427 299 R N 3.724 124.224 120.500 0.001 0.000 2.532 299 R HA 0.644 4.984 4.340 -0.001 0.000 0.297 299 R C -0.911 175.388 176.300 -0.003 0.000 0.984 299 R CA -0.736 55.366 56.100 0.003 0.000 0.884 299 R CB 2.119 32.424 30.300 0.008 0.000 1.182 299 R HN 0.834 nan 8.270 nan 0.000 0.442 300 A N 2.127 124.943 122.820 -0.006 0.000 2.401 300 A HA 0.404 4.723 4.320 -0.001 0.000 0.259 300 A C -0.210 177.361 177.584 -0.021 0.000 1.103 300 A CA 0.207 52.216 52.037 -0.045 0.000 0.789 300 A CB 0.563 19.520 19.000 -0.070 0.000 1.035 300 A HN 0.585 nan 8.150 nan 0.000 0.491 301 T N 2.542 117.049 114.554 -0.079 0.000 2.841 301 T HA 0.473 4.823 4.350 -0.001 0.000 0.285 301 T C -1.187 173.470 174.700 -0.073 0.000 0.991 301 T CA 0.031 62.131 62.100 -0.001 0.000 0.966 301 T CB 0.391 69.264 68.868 0.009 0.000 0.962 301 T HN 0.393 nan 8.240 nan 0.000 0.438 302 Y N 2.840 123.144 120.300 0.007 0.000 2.336 302 Y HA 0.542 5.092 4.550 -0.001 0.000 0.335 302 Y C 0.234 176.138 175.900 0.007 0.000 1.046 302 Y CA -0.920 57.186 58.100 0.009 0.000 1.198 302 Y CB 0.602 39.067 38.460 0.008 0.000 1.182 302 Y HN 0.376 nan 8.280 nan 0.000 0.502 303 L N 4.137 125.426 121.223 0.109 0.000 2.362 303 L HA 0.541 4.880 4.340 -0.001 0.000 0.275 303 L C -0.471 176.437 176.870 0.063 0.000 0.998 303 L CA -0.616 54.264 54.840 0.067 0.000 0.820 303 L CB 2.077 44.151 42.059 0.024 0.000 1.270 303 L HN 0.622 nan 8.230 nan 0.000 0.415 304 E N 1.077 121.310 120.200 0.055 0.000 2.359 304 E HA 0.678 5.028 4.350 -0.001 0.000 0.266 304 E C -1.249 175.371 176.600 0.033 0.000 0.920 304 E CA -0.778 55.648 56.400 0.043 0.000 0.788 304 E CB 2.828 32.555 29.700 0.045 0.000 1.279 304 E HN 0.424 nan 8.360 nan 0.000 0.438 305 T N 0.935 115.506 114.554 0.029 0.000 2.909 305 T HA 0.505 4.854 4.350 -0.001 0.000 0.299 305 T C -0.529 174.189 174.700 0.032 0.000 1.073 305 T CA -0.626 61.493 62.100 0.032 0.000 0.999 305 T CB 0.946 69.835 68.868 0.033 0.000 1.098 305 T HN 0.224 nan 8.240 nan 0.000 0.477 306 L N 1.197 122.443 121.223 0.038 0.000 2.341 306 L HA 0.688 5.028 4.340 -0.001 0.000 0.267 306 L C 0.423 177.320 176.870 0.045 0.000 1.022 306 L CA -1.164 53.696 54.840 0.034 0.000 0.844 306 L CB 1.552 43.633 42.059 0.035 0.000 1.436 306 L HN 0.741 nan 8.230 nan 0.000 0.483 307 S N 0.138 115.863 115.700 0.042 0.000 2.475 307 S HA 0.680 5.150 4.470 -0.001 0.000 0.281 307 S C -0.683 173.936 174.600 0.031 0.000 1.198 307 S CA -0.614 57.618 58.200 0.053 0.000 1.063 307 S CB 1.147 64.389 63.200 0.070 0.000 0.972 307 S HN 0.267 nan 8.310 nan 0.000 0.486 308 V N 2.834 122.744 119.914 -0.007 0.000 2.760 308 V HA 0.514 4.633 4.120 -0.001 0.000 0.309 308 V C 0.225 176.202 176.094 -0.195 0.000 1.077 308 V CA -0.926 61.319 62.300 -0.092 0.000 0.910 308 V CB 2.153 33.911 31.823 -0.108 0.000 1.008 308 V HN 1.115 nan 8.190 nan 0.000 0.424 309 S N 3.000 118.533 115.700 -0.278 0.000 2.537 309 S HA 0.502 4.972 4.470 -0.001 0.000 0.286 309 S C 0.197 174.575 174.600 -0.370 0.000 1.299 309 S CA 0.251 58.192 58.200 -0.432 0.000 1.067 309 S CB 0.744 63.588 63.200 -0.593 0.000 0.864 309 S HN 1.153 nan 8.310 nan 0.000 0.494 310 T N -0.707 113.633 114.554 -0.358 0.000 2.591 310 T HA 0.437 4.786 4.350 -0.001 0.000 0.274 310 T C 1.222 175.797 174.700 -0.208 0.000 0.945 310 T CA -0.252 61.634 62.100 -0.357 0.000 1.087 310 T CB 0.043 68.540 68.868 -0.618 0.000 1.416 310 T HN 0.371 nan 8.240 nan 0.000 0.514 311 T N 0.961 115.427 114.554 -0.146 0.000 2.699 311 T HA -0.107 4.243 4.350 -0.001 0.000 0.268 311 T C 1.769 176.443 174.700 -0.042 0.000 1.036 311 T CA 1.832 63.895 62.100 -0.062 0.000 1.147 311 T CB -0.464 68.397 68.868 -0.012 0.000 0.862 311 T HN 0.538 nan 8.240 nan 0.000 0.446 312 K N 0.403 120.782 120.400 -0.035 0.000 1.984 312 K HA 0.224 4.544 4.320 -0.001 0.000 0.209 312 K C 1.032 177.632 176.600 0.001 0.000 1.046 312 K CA 0.866 57.155 56.287 0.003 0.000 0.934 312 K CB -0.140 32.380 32.500 0.032 0.000 0.717 312 K HN 0.456 nan 8.250 nan 0.000 0.438 313 G N 0.257 109.028 108.800 -0.050 0.000 3.305 313 G HA2 0.062 4.021 3.960 -0.001 0.000 0.649 313 G HA3 0.062 4.021 3.960 -0.001 0.000 0.649 313 G C -0.612 174.341 174.900 0.089 0.000 1.255 313 G CA -0.944 44.107 45.100 -0.082 0.000 1.137 313 G HN 0.225 nan 8.290 nan 0.000 0.535 314 F N -2.144 117.780 119.950 -0.044 0.000 2.576 314 F HA 0.011 4.538 4.527 0.000 0.000 0.316 314 F C 1.071 176.858 175.800 -0.022 0.000 1.063 314 F CA 1.543 59.523 58.000 -0.033 0.000 1.093 314 F CB -1.460 37.529 39.000 -0.018 0.000 1.399 314 F HN 1.742 nan 8.300 nan 0.000 0.819 315 A N 0.813 123.670 122.820 0.061 0.000 2.483 315 A HA 0.962 5.282 4.320 -0.001 0.000 0.286 315 A C -0.142 177.501 177.584 0.097 0.000 1.207 315 A CA -0.075 52.011 52.037 0.082 0.000 0.764 315 A CB 1.739 20.787 19.000 0.080 0.000 1.341 315 A HN 0.983 nan 8.150 nan 0.000 0.428 316 S N -0.343 115.446 115.700 0.148 0.000 2.526 316 S HA 0.757 5.227 4.470 -0.001 0.000 0.293 316 S C -0.066 174.667 174.600 0.223 0.000 1.092 316 S CA -0.043 58.252 58.200 0.159 0.000 0.980 316 S CB 1.425 64.678 63.200 0.088 0.000 1.048 316 S HN 2.016 nan 8.310 nan 0.000 0.483 317 A N 2.656 125.608 122.820 0.220 0.000 2.445 317 A HA 0.537 4.856 4.320 -0.001 0.000 0.242 317 A C -0.055 177.508 177.584 -0.035 0.000 1.075 317 A CA -0.494 51.562 52.037 0.031 0.000 0.777 317 A CB -0.253 18.750 19.000 0.005 0.000 1.013 317 A HN 0.904 nan 8.150 nan 0.000 0.493 318 L N 3.376 124.529 121.223 -0.116 0.000 2.272 318 L HA 0.492 4.832 4.340 -0.001 0.000 0.284 318 L C -0.511 176.317 176.870 -0.069 0.000 1.045 318 L CA -0.532 54.266 54.840 -0.070 0.000 0.842 318 L CB 0.573 42.591 42.059 -0.068 0.000 1.224 318 L HN 0.610 nan 8.230 nan 0.000 0.430 319 V N 1.350 121.239 119.914 -0.041 0.000 2.971 319 V HA 0.672 4.791 4.120 -0.001 0.000 0.309 319 V C -2.507 173.576 176.094 -0.018 0.000 1.130 319 V CA -2.061 60.220 62.300 -0.032 0.000 0.964 319 V CB 1.451 33.255 31.823 -0.031 0.000 1.029 319 V HN 0.386 nan 8.190 nan 0.000 0.427 320 P HA 0.307 nan 4.420 nan 0.000 0.271 320 P C 0.346 177.639 177.300 -0.012 0.000 1.238 320 P CA -0.220 62.872 63.100 -0.014 0.000 0.794 320 P CB 0.609 32.305 31.700 -0.008 0.000 0.959 321 K N -0.608 119.784 120.400 -0.014 0.000 2.166 321 K HA 0.146 4.465 4.320 -0.001 0.000 0.201 321 K C -0.055 176.508 176.600 -0.061 0.000 1.052 321 K CA 0.723 57.010 56.287 -0.001 0.000 0.969 321 K CB 0.244 32.758 32.500 0.024 0.000 0.761 321 K HN 0.144 nan 8.250 nan 0.000 0.459 322 V N 2.265 122.104 119.914 -0.124 0.000 2.638 322 V HA 0.312 4.432 4.120 -0.001 0.000 0.306 322 V C -0.670 175.332 176.094 -0.154 0.000 1.052 322 V CA -1.029 61.103 62.300 -0.281 0.000 0.885 322 V CB 1.773 33.340 31.823 -0.426 0.000 0.999 322 V HN 0.018 nan 8.190 nan 0.000 0.424 323 V N 0.988 120.813 119.914 -0.149 0.000 2.876 323 V HA 0.903 5.023 4.120 -0.001 0.000 0.312 323 V C -0.491 175.566 176.094 -0.062 0.000 1.085 323 V CA -0.479 61.782 62.300 -0.065 0.000 0.945 323 V CB 2.046 33.852 31.823 -0.027 0.000 1.017 323 V HN 0.845 nan 8.190 nan 0.000 0.428 324 T N 2.785 117.324 114.554 -0.026 0.000 2.824 324 T HA 0.524 4.874 4.350 -0.001 0.000 0.282 324 T C -0.868 173.835 174.700 0.004 0.000 0.993 324 T CA -0.311 61.779 62.100 -0.018 0.000 0.967 324 T CB 1.539 70.396 68.868 -0.019 0.000 0.960 324 T HN 1.096 nan 8.240 nan 0.000 0.441 325 Q N 3.567 123.372 119.800 0.008 0.000 2.337 325 Q HA 0.691 5.030 4.340 -0.001 0.000 0.266 325 Q C -1.856 174.155 176.000 0.019 0.000 1.023 325 Q CA -0.782 55.036 55.803 0.024 0.000 0.829 325 Q CB 1.814 30.567 28.738 0.025 0.000 1.306 325 Q HN 0.533 nan 8.270 nan 0.000 0.449 326 V N 4.521 124.450 119.914 0.025 0.000 2.419 326 V HA 0.484 4.603 4.120 -0.001 0.000 0.287 326 V C 0.745 176.853 176.094 0.024 0.000 1.017 326 V CA 0.350 62.660 62.300 0.016 0.000 0.844 326 V CB 0.577 32.403 31.823 0.005 0.000 1.011 326 V HN 1.138 nan 8.190 nan 0.000 0.429 327 G N 5.310 114.125 108.800 0.024 0.000 2.846 327 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.317 327 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.317 327 G C 0.929 175.859 174.900 0.051 0.000 1.210 327 G CA 1.073 46.191 45.100 0.029 0.000 0.972 327 G HN 1.658 nan 8.290 nan 0.000 0.567 328 S N -0.569 115.169 115.700 0.064 0.000 2.663 328 S HA 0.615 5.085 4.470 -0.001 0.000 0.243 328 S C -0.040 174.648 174.600 0.147 0.000 1.009 328 S CA 0.603 58.876 58.200 0.122 0.000 0.988 328 S CB 0.963 64.225 63.200 0.104 0.000 0.896 328 S HN 1.166 nan 8.310 nan 0.000 0.502 329 V N 2.760 122.729 119.914 0.093 0.000 2.334 329 V HA 0.523 4.643 4.120 -0.001 0.000 0.281 329 V C -0.489 175.666 176.094 0.102 0.000 1.016 329 V CA -0.576 61.757 62.300 0.055 0.000 0.832 329 V CB 1.028 32.850 31.823 -0.000 0.000 0.999 329 V HN 0.497 nan 8.190 nan 0.000 0.439 330 I N 4.880 125.554 120.570 0.172 0.000 2.389 330 I HA 0.590 4.760 4.170 -0.001 0.000 0.288 330 I C -0.146 176.040 176.117 0.115 0.000 0.999 330 I CA -0.319 61.083 61.300 0.170 0.000 1.129 330 I CB 1.826 39.982 38.000 0.261 0.000 1.288 330 I HN 0.608 nan 8.210 nan 0.000 0.444 331 E N 4.077 124.317 120.200 0.066 0.000 2.408 331 E HA 0.287 4.637 4.350 -0.001 0.000 0.275 331 E C -1.253 175.381 176.600 0.057 0.000 0.935 331 E CA -0.944 55.489 56.400 0.056 0.000 0.775 331 E CB 2.735 32.450 29.700 0.025 0.000 1.277 331 E HN 0.512 nan 8.360 nan 0.000 0.455 332 E N 1.601 121.856 120.200 0.092 0.000 2.360 332 E HA 0.165 4.515 4.350 -0.001 0.000 0.269 332 E C -1.225 175.450 176.600 0.125 0.000 1.022 332 E CA -0.422 56.038 56.400 0.100 0.000 0.887 332 E CB 0.631 30.409 29.700 0.129 0.000 0.990 332 E HN 0.188 nan 8.360 nan 0.000 0.426 333 L N 4.818 126.081 121.223 0.066 0.000 2.282 333 L HA 0.278 4.618 4.340 -0.001 0.000 0.288 333 L C -0.857 176.083 176.870 0.115 0.000 1.033 333 L CA -0.404 54.474 54.840 0.064 0.000 0.807 333 L CB 1.539 43.589 42.059 -0.015 0.000 1.209 333 L HN 0.460 nan 8.230 nan 0.000 0.423 334 D N 2.487 123.011 120.400 0.207 0.000 2.352 334 D HA 0.106 4.746 4.640 -0.001 0.000 0.245 334 D C 0.700 177.132 176.300 0.219 0.000 1.224 334 D CA 0.099 54.257 54.000 0.263 0.000 0.879 334 D CB 1.006 42.081 40.800 0.459 0.000 1.057 334 D HN 0.679 nan 8.370 nan 0.000 0.491 335 T N -0.229 114.402 114.554 0.129 0.000 3.324 335 T HA 0.000 4.350 4.350 -0.001 0.000 0.250 335 T C 1.491 176.245 174.700 0.091 0.000 1.059 335 T CA 0.195 62.366 62.100 0.119 0.000 0.951 335 T CB -0.276 68.652 68.868 0.101 0.000 1.030 335 T HN 0.209 nan 8.240 nan 0.000 0.576 336 S N 0.263 115.976 115.700 0.022 0.000 2.436 336 S HA 0.003 4.473 4.470 -0.001 0.000 0.228 336 S C 1.177 175.649 174.600 -0.212 0.000 1.014 336 S CA -0.112 57.990 58.200 -0.162 0.000 0.950 336 S CB -0.780 62.210 63.200 -0.350 0.000 0.784 336 S HN 0.655 nan 8.310 nan 0.000 0.504 337 Y N 1.108 121.456 120.300 0.081 0.000 2.461 337 Y HA 0.441 4.991 4.550 -0.001 0.000 0.277 337 Y C 0.676 176.653 175.900 0.128 0.000 1.182 337 Y CA -1.026 57.124 58.100 0.083 0.000 1.276 337 Y CB -0.285 38.208 38.460 0.054 0.000 1.087 337 Y HN 0.290 nan 8.280 nan 0.000 0.519 338 c N 0.393 119.140 118.600 0.244 0.000 2.634 338 c HA 0.608 5.177 4.570 -0.001 0.000 0.313 338 c C -0.176 174.030 174.090 0.193 0.000 1.198 338 c CA -1.235 55.244 56.329 0.249 0.000 1.605 338 c CB 1.117 43.751 42.510 0.206 0.000 2.196 338 c HN 0.044 nan 8.230 nan 0.000 0.486 339 I N 2.686 123.374 120.570 0.197 0.000 2.321 339 I HA 0.289 4.458 4.170 -0.001 0.000 0.291 339 I C 0.491 176.674 176.117 0.110 0.000 0.998 339 I CA 0.230 61.606 61.300 0.127 0.000 1.227 339 I CB 0.773 38.819 38.000 0.077 0.000 1.368 339 I HN 0.733 nan 8.210 nan 0.000 0.466 340 E N 4.868 125.119 120.200 0.084 0.000 2.248 340 E HA 0.749 5.099 4.350 -0.001 0.000 0.272 340 E C -0.813 175.800 176.600 0.021 0.000 1.008 340 E CA -0.689 55.743 56.400 0.053 0.000 0.856 340 E CB 1.485 31.231 29.700 0.077 0.000 1.120 340 E HN 0.517 nan 8.360 nan 0.000 0.397 341 T N 0.553 115.099 114.554 -0.014 0.000 2.573 341 T HA 0.086 4.435 4.350 -0.001 0.000 0.259 341 T C 0.159 174.832 174.700 -0.045 0.000 0.886 341 T CA -0.460 61.633 62.100 -0.011 0.000 1.110 341 T CB 0.463 69.345 68.868 0.024 0.000 1.421 341 T HN 0.600 nan 8.240 nan 0.000 0.523 342 D N -0.155 120.226 120.400 -0.031 0.000 2.249 342 D HA 0.156 4.796 4.640 -0.001 0.000 0.205 342 D C 1.004 177.280 176.300 -0.040 0.000 0.962 342 D CA 0.840 54.815 54.000 -0.041 0.000 0.860 342 D CB -0.049 40.737 40.800 -0.022 0.000 0.955 342 D HN 0.456 nan 8.370 nan 0.000 0.505 343 L N -1.000 120.202 121.223 -0.036 0.000 3.826 343 L HA 0.405 4.745 4.340 -0.001 0.000 0.362 343 L C -0.404 176.427 176.870 -0.065 0.000 1.235 343 L CA -0.314 54.506 54.840 -0.032 0.000 1.207 343 L CB 0.314 42.363 42.059 -0.016 0.000 1.518 343 L HN -0.203 nan 8.230 nan 0.000 0.628 344 D N 0.185 120.513 120.400 -0.120 0.000 2.990 344 D HA 0.694 5.334 4.640 -0.001 0.000 0.227 344 D C -1.718 174.345 176.300 -0.395 0.000 1.249 344 D CA -0.297 53.529 54.000 -0.291 0.000 0.891 344 D CB 2.942 43.500 40.800 -0.403 0.000 1.647 344 D HN 0.086 nan 8.370 nan 0.000 0.530 345 L N 2.618 123.613 121.223 -0.379 0.000 2.294 345 L HA 0.331 4.671 4.340 -0.001 0.000 0.283 345 L C -0.962 175.729 176.870 -0.298 0.000 1.015 345 L CA -0.563 54.134 54.840 -0.238 0.000 0.831 345 L CB 0.575 42.620 42.059 -0.024 0.000 1.217 345 L HN 0.234 nan 8.230 nan 0.000 0.420 346 Y N 2.202 122.537 120.300 0.057 0.000 2.404 346 Y HA 0.442 4.992 4.550 -0.000 0.000 0.344 346 Y C 0.249 176.336 175.900 0.312 0.000 0.970 346 Y CA -0.564 57.596 58.100 0.099 0.000 1.180 346 Y CB 0.884 39.238 38.460 -0.177 0.000 1.138 346 Y HN 0.450 nan 8.280 nan 0.000 0.510 347 c N 1.577 120.479 118.600 0.503 0.000 2.411 347 c HA 0.287 4.857 4.570 -0.001 0.000 0.330 347 c C 1.615 175.835 174.090 0.216 0.000 1.224 347 c CA -0.557 56.004 56.329 0.387 0.000 1.770 347 c CB 1.538 44.170 42.510 0.203 0.000 2.297 347 c HN 0.922 nan 8.230 nan 0.000 0.507 348 T N 0.771 115.375 114.554 0.083 0.000 3.023 348 T HA 0.004 4.353 4.350 -0.001 0.000 0.266 348 T C 0.726 175.362 174.700 -0.106 0.000 1.093 348 T CA 1.167 63.148 62.100 -0.198 0.000 1.129 348 T CB -0.059 68.760 68.868 -0.083 0.000 0.899 348 T HN 0.755 nan 8.240 nan 0.000 0.491 349 R N -0.394 120.083 120.500 -0.038 0.000 2.712 349 R HA 0.475 4.815 4.340 -0.001 0.000 0.272 349 R C -2.250 173.973 176.300 -0.128 0.000 1.032 349 R CA -0.665 55.349 56.100 -0.144 0.000 0.874 349 R CB 0.852 30.967 30.300 -0.308 0.000 1.256 349 R HN 0.081 nan 8.270 nan 0.000 0.468 350 I N 2.869 123.336 120.570 -0.171 0.000 2.410 350 I HA 0.344 4.514 4.170 -0.001 0.000 0.286 350 I C -0.813 175.183 176.117 -0.202 0.000 1.009 350 I CA -0.972 60.252 61.300 -0.127 0.000 1.111 350 I CB 2.089 40.043 38.000 -0.076 0.000 1.262 350 I HN 0.195 nan 8.210 nan 0.000 0.443 351 V N 5.124 124.931 119.914 -0.179 0.000 2.376 351 V HA 0.390 4.509 4.120 -0.001 0.000 0.287 351 V C 0.240 176.203 176.094 -0.219 0.000 1.015 351 V CA -0.462 61.692 62.300 -0.243 0.000 0.834 351 V CB 1.725 33.428 31.823 -0.200 0.000 1.001 351 V HN 0.837 nan 8.190 nan 0.000 0.428 352 T N 1.534 115.892 114.554 -0.326 0.000 2.925 352 T HA 0.830 5.180 4.350 -0.001 0.000 0.285 352 T C -0.885 173.532 174.700 -0.472 0.000 1.021 352 T CA -0.544 61.416 62.100 -0.235 0.000 1.042 352 T CB 1.730 70.528 68.868 -0.117 0.000 1.037 352 T HN 0.150 nan 8.240 nan 0.000 0.481 353 F N 1.023 120.972 119.950 -0.002 0.000 2.551 353 F HA 0.549 5.076 4.527 -0.001 0.000 0.316 353 F C -2.480 173.316 175.800 -0.006 0.000 1.089 353 F CA -2.642 55.357 58.000 -0.002 0.000 0.915 353 F CB 2.126 41.129 39.000 0.005 0.000 1.186 353 F HN 0.375 nan 8.300 nan 0.000 0.456 354 P HA 0.227 nan 4.420 nan 0.000 0.271 354 P C -0.825 176.528 177.300 0.088 0.000 1.216 354 P CA -0.260 62.890 63.100 0.083 0.000 0.771 354 P CB 0.510 32.240 31.700 0.051 0.000 0.864 355 M N 0.141 119.779 119.600 0.063 0.000 2.578 355 M HA 0.540 5.020 4.480 -0.001 0.000 0.321 355 M C 0.199 176.524 176.300 0.041 0.000 1.182 355 M CA -0.899 54.434 55.300 0.055 0.000 0.965 355 M CB 1.707 34.345 32.600 0.064 0.000 1.694 355 M HN 0.079 nan 8.290 nan 0.000 0.461 356 S N 1.161 116.879 115.700 0.031 0.000 2.558 356 S HA 0.111 4.580 4.470 -0.001 0.000 0.291 356 S C -1.710 172.915 174.600 0.042 0.000 1.306 356 S CA -0.709 57.505 58.200 0.024 0.000 1.056 356 S CB 0.282 63.488 63.200 0.011 0.000 0.836 356 S HN 0.635 nan 8.310 nan 0.000 0.504 357 P HA -0.005 nan 4.420 nan 0.000 0.218 357 P C 1.405 178.753 177.300 0.079 0.000 1.148 357 P CA 1.252 64.385 63.100 0.055 0.000 0.822 357 P CB -0.235 31.480 31.700 0.025 0.000 0.784 358 G N -0.713 108.111 108.800 0.041 0.000 2.471 358 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.219 358 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.219 358 G C 1.309 176.215 174.900 0.010 0.000 1.125 358 G CA 0.323 45.434 45.100 0.020 0.000 0.775 358 G HN 0.154 nan 8.290 nan 0.000 0.548 359 I N -0.407 120.180 120.570 0.029 0.000 2.296 359 I HA -0.002 4.168 4.170 -0.001 0.000 0.242 359 I C 2.321 178.465 176.117 0.044 0.000 1.087 359 I CA 0.472 61.782 61.300 0.016 0.000 1.393 359 I CB -1.408 36.606 38.000 0.023 0.000 1.093 359 I HN 0.260 nan 8.210 nan 0.000 0.421 360 Y N 1.783 122.071 120.300 -0.021 0.000 2.151 360 Y HA -0.316 4.233 4.550 -0.001 0.000 0.284 360 Y C 3.063 178.954 175.900 -0.015 0.000 1.166 360 Y CA 2.232 60.323 58.100 -0.015 0.000 1.163 360 Y CB -0.319 38.135 38.460 -0.010 0.000 0.974 360 Y HN 0.110 nan 8.280 nan 0.000 0.511 361 S N -1.074 114.663 115.700 0.063 0.000 2.383 361 S HA -0.277 4.192 4.470 -0.001 0.000 0.229 361 S C 2.333 176.870 174.600 -0.106 0.000 1.030 361 S CA 1.513 59.700 58.200 -0.022 0.000 1.002 361 S CB -1.253 61.977 63.200 0.051 0.000 0.829 361 S HN 0.746 nan 8.310 nan 0.000 0.467 362 c N 1.090 119.639 118.600 -0.085 0.000 2.476 362 c HA 0.171 4.740 4.570 -0.001 0.000 0.278 362 c C 2.428 176.450 174.090 -0.113 0.000 1.274 362 c CA 0.637 56.915 56.329 -0.085 0.000 1.713 362 c CB -1.640 40.823 42.510 -0.078 0.000 2.039 362 c HN 0.681 nan 8.230 nan 0.000 0.484 363 L N 1.100 122.236 121.223 -0.146 0.000 2.353 363 L HA -0.087 4.252 4.340 -0.001 0.000 0.220 363 L C 2.138 178.894 176.870 -0.190 0.000 1.133 363 L CA 1.388 56.141 54.840 -0.146 0.000 0.798 363 L CB -0.887 41.093 42.059 -0.132 0.000 0.922 363 L HN 0.550 nan 8.230 nan 0.000 0.445 364 N N -0.796 117.741 118.700 -0.270 0.000 2.416 364 N HA -0.007 4.733 4.740 -0.001 0.000 0.177 364 N C 1.410 176.842 175.510 -0.130 0.000 1.036 364 N CA 0.675 53.579 53.050 -0.243 0.000 0.901 364 N CB 0.482 38.762 38.487 -0.345 0.000 0.976 364 N HN 0.414 nan 8.380 nan 0.000 0.444 365 G N 0.505 109.242 108.800 -0.104 0.000 3.302 365 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.216 365 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.216 365 G C -0.148 174.728 174.900 -0.040 0.000 1.008 365 G CA -0.643 44.422 45.100 -0.058 0.000 0.852 365 G HN 0.168 nan 8.290 nan 0.000 0.485 366 N N 2.394 121.066 118.700 -0.047 0.000 2.744 366 N HA 0.256 4.995 4.740 -0.001 0.000 0.290 366 N C 1.507 177.007 175.510 -0.017 0.000 1.206 366 N CA 0.923 53.959 53.050 -0.023 0.000 1.119 366 N CB 0.153 38.629 38.487 -0.019 0.000 1.449 366 N HN 0.196 nan 8.380 nan 0.000 0.514 367 T N -0.172 114.382 114.554 -0.002 0.000 2.897 367 T HA -0.101 4.249 4.350 -0.001 0.000 0.271 367 T C 1.429 176.151 174.700 0.036 0.000 1.084 367 T CA 1.204 63.313 62.100 0.015 0.000 1.123 367 T CB -0.013 68.877 68.868 0.037 0.000 0.865 367 T HN 0.401 nan 8.240 nan 0.000 0.496 368 S N 0.806 116.528 115.700 0.037 0.000 2.603 368 S HA 0.228 4.698 4.470 -0.001 0.000 0.229 368 S C 2.026 176.645 174.600 0.032 0.000 0.972 368 S CA 0.425 58.656 58.200 0.051 0.000 0.935 368 S CB -0.139 63.087 63.200 0.043 0.000 0.769 368 S HN 0.592 nan 8.310 nan 0.000 0.536 369 A N -0.306 122.515 122.820 0.002 0.000 2.197 369 A HA 0.251 4.570 4.320 -0.001 0.000 0.210 369 A C 0.914 178.460 177.584 -0.062 0.000 1.180 369 A CA -0.158 51.870 52.037 -0.015 0.000 0.846 369 A CB -0.158 18.836 19.000 -0.010 0.000 0.884 369 A HN 0.486 nan 8.150 nan 0.000 0.487 370 c N 1.476 120.005 118.600 -0.119 0.000 2.653 370 c HA 0.435 5.004 4.570 -0.001 0.000 0.421 370 c C 0.628 174.462 174.090 -0.426 0.000 1.334 370 c CA 0.005 56.173 56.329 -0.269 0.000 1.885 370 c CB -0.854 41.449 42.510 -0.345 0.000 2.645 370 c HN 0.575 nan 8.230 nan 0.000 0.601 371 M N 3.219 122.592 119.600 -0.378 0.000 2.367 371 M HA 0.461 4.940 4.480 -0.001 0.000 0.339 371 M C -0.932 175.093 176.300 -0.458 0.000 1.177 371 M CA -0.009 55.111 55.300 -0.300 0.000 1.068 371 M CB 0.900 33.432 32.600 -0.113 0.000 1.602 371 M HN 0.598 nan 8.290 nan 0.000 0.457 372 Y N -0.314 119.988 120.300 0.004 0.000 2.587 372 Y HA 0.745 5.295 4.550 -0.001 0.000 0.337 372 Y C 0.180 176.085 175.900 0.009 0.000 1.065 372 Y CA -0.747 57.356 58.100 0.005 0.000 1.126 372 Y CB 2.002 40.463 38.460 0.001 0.000 1.279 372 Y HN 0.723 nan 8.280 nan 0.000 0.489 373 S N -1.399 114.409 115.700 0.180 0.000 2.565 373 S HA 0.629 5.099 4.470 -0.001 0.000 0.269 373 S C -0.632 174.024 174.600 0.094 0.000 1.153 373 S CA -0.842 57.422 58.200 0.105 0.000 0.835 373 S CB 1.278 64.514 63.200 0.061 0.000 1.122 373 S HN 0.805 nan 8.310 nan 0.000 0.462 374 K N 0.026 120.470 120.400 0.073 0.000 2.708 374 K HA 0.440 4.760 4.320 -0.001 0.000 0.219 374 K C 0.415 177.042 176.600 0.045 0.000 1.068 374 K CA -0.041 56.286 56.287 0.066 0.000 1.212 374 K CB -1.121 31.417 32.500 0.063 0.000 0.978 374 K HN 0.714 nan 8.250 nan 0.000 0.475 375 T N 3.494 118.073 114.554 0.041 0.000 3.462 375 T HA 0.193 4.542 4.350 -0.001 0.000 0.257 375 T C -0.281 174.432 174.700 0.021 0.000 1.015 375 T CA 0.165 62.280 62.100 0.026 0.000 1.135 375 T CB -0.953 67.927 68.868 0.020 0.000 1.061 375 T HN 0.773 nan 8.240 nan 0.000 0.772 376 E N 0.617 120.827 120.200 0.016 0.000 2.392 376 E HA 0.569 4.919 4.350 -0.001 0.000 0.281 376 E C -0.485 176.114 176.600 -0.001 0.000 1.088 376 E CA -1.440 54.965 56.400 0.009 0.000 0.850 376 E CB 0.683 30.394 29.700 0.019 0.000 1.267 376 E HN 0.348 nan 8.360 nan 0.000 0.438 377 G N -0.260 108.534 108.800 -0.010 0.000 2.705 377 G HA2 0.565 4.525 3.960 -0.001 0.000 0.299 377 G HA3 0.565 4.525 3.960 -0.001 0.000 0.299 377 G C 0.355 175.240 174.900 -0.025 0.000 1.315 377 G CA -0.362 44.728 45.100 -0.017 0.000 1.045 377 G HN 0.580 nan 8.290 nan 0.000 0.517 378 A N -1.052 121.751 122.820 -0.030 0.000 2.123 378 A HA 0.264 4.584 4.320 -0.001 0.000 0.214 378 A C 1.891 179.454 177.584 -0.034 0.000 1.152 378 A CA 0.455 52.470 52.037 -0.038 0.000 0.728 378 A CB -0.216 18.760 19.000 -0.039 0.000 0.814 378 A HN 0.387 nan 8.150 nan 0.000 0.464 379 L N -0.232 120.972 121.223 -0.031 0.000 2.592 379 L HA 0.080 4.420 4.340 -0.001 0.000 0.227 379 L C 1.106 177.949 176.870 -0.046 0.000 1.127 379 L CA -0.064 54.757 54.840 -0.032 0.000 0.884 379 L CB -0.171 41.873 42.059 -0.026 0.000 1.065 379 L HN 0.246 nan 8.230 nan 0.000 0.457 380 T N 0.035 114.560 114.554 -0.048 0.000 2.919 380 T HA 0.022 4.371 4.350 -0.001 0.000 0.302 380 T C 0.356 174.995 174.700 -0.101 0.000 1.031 380 T CA 0.180 62.239 62.100 -0.067 0.000 1.127 380 T CB 0.907 69.747 68.868 -0.047 0.000 0.952 380 T HN 0.051 nan 8.240 nan 0.000 0.540 381 T N 5.152 119.598 114.554 -0.181 0.000 2.897 381 T HA 0.430 4.779 4.350 -0.001 0.000 0.294 381 T C -1.824 172.719 174.700 -0.261 0.000 1.004 381 T CA -1.688 60.213 62.100 -0.332 0.000 1.106 381 T CB 0.793 69.244 68.868 -0.696 0.000 0.949 381 T HN 0.472 nan 8.240 nan 0.000 0.520 382 P HA 0.221 nan 4.420 nan 0.000 0.256 382 P C -1.035 176.319 177.300 0.091 0.000 1.384 382 P CA 0.060 63.163 63.100 0.004 0.000 0.879 382 P CB -0.425 31.332 31.700 0.095 0.000 1.403 383 Y N -1.622 118.688 120.300 0.017 0.000 2.896 383 Y HA 0.786 5.335 4.550 -0.001 0.000 0.317 383 Y C -0.644 175.264 175.900 0.014 0.000 1.444 383 Y CA -1.886 56.223 58.100 0.015 0.000 1.084 383 Y CB 0.812 39.279 38.460 0.012 0.000 1.382 383 Y HN -0.163 nan 8.280 nan 0.000 0.471 384 M N -0.747 119.047 119.600 0.324 0.000 2.895 384 M HA 0.657 5.137 4.480 -0.001 0.000 0.271 384 M C -1.997 174.417 176.300 0.191 0.000 1.174 384 M CA -0.716 54.699 55.300 0.191 0.000 0.816 384 M CB 2.139 34.783 32.600 0.073 0.000 1.647 384 M HN 0.564 nan 8.290 nan 0.000 0.506 385 T N 1.638 116.266 114.554 0.123 0.000 2.824 385 T HA 0.840 5.189 4.350 -0.001 0.000 0.280 385 T C -0.723 174.007 174.700 0.050 0.000 0.995 385 T CA -0.398 61.751 62.100 0.083 0.000 1.009 385 T CB 1.352 70.263 68.868 0.070 0.000 0.955 385 T HN 1.064 nan 8.240 nan 0.000 0.452 386 L N 3.058 124.304 121.223 0.039 0.000 2.555 386 L HA 0.716 5.056 4.340 -0.001 0.000 0.264 386 L C 0.332 177.214 176.870 0.020 0.000 0.972 386 L CA -1.343 53.512 54.840 0.025 0.000 0.876 386 L CB 0.221 42.297 42.059 0.029 0.000 1.216 386 L HN 0.811 nan 8.230 nan 0.000 0.415 387 K N 2.681 123.087 120.400 0.011 0.000 3.150 387 K HA -0.152 4.167 4.320 -0.001 0.000 0.267 387 K C 1.142 177.752 176.600 0.017 0.000 1.028 387 K CA 1.019 57.312 56.287 0.010 0.000 0.753 387 K CB -1.554 30.953 32.500 0.013 0.000 1.288 387 K HN 2.598 nan 8.250 nan 0.000 0.473 388 G N -0.905 107.905 108.800 0.016 0.000 2.155 388 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.257 388 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.257 388 G C 0.019 174.929 174.900 0.016 0.000 0.983 388 G CA 0.527 45.637 45.100 0.016 0.000 0.676 388 G HN 0.472 nan 8.290 nan 0.000 0.528 389 S N -1.902 113.811 115.700 0.022 0.000 2.677 389 S HA 0.771 5.241 4.470 -0.001 0.000 0.304 389 S C -0.471 174.143 174.600 0.024 0.000 1.108 389 S CA -0.067 58.146 58.200 0.022 0.000 0.944 389 S CB 2.706 65.925 63.200 0.031 0.000 1.127 389 S HN 1.250 nan 8.310 nan 0.000 0.511 390 V N 2.509 122.432 119.914 0.015 0.000 2.409 390 V HA 0.544 4.664 4.120 -0.001 0.000 0.290 390 V C -1.418 174.697 176.094 0.036 0.000 1.017 390 V CA -0.678 61.634 62.300 0.021 0.000 0.841 390 V CB 0.497 32.291 31.823 -0.048 0.000 1.003 390 V HN 0.780 nan 8.190 nan 0.000 0.426 391 I N 7.474 128.086 120.570 0.070 0.000 2.291 391 I HA 0.715 4.885 4.170 -0.001 0.000 0.290 391 I C 0.452 176.632 176.117 0.106 0.000 1.050 391 I CA -0.006 61.335 61.300 0.068 0.000 1.245 391 I CB 1.120 39.155 38.000 0.059 0.000 1.405 391 I HN 0.728 nan 8.210 nan 0.000 0.478 392 A N 5.123 127.995 122.820 0.086 0.000 2.413 392 A HA 0.553 4.873 4.320 -0.001 0.000 0.307 392 A C -0.594 177.034 177.584 0.073 0.000 1.087 392 A CA -0.727 51.382 52.037 0.121 0.000 0.750 392 A CB 1.461 20.529 19.000 0.114 0.000 1.296 392 A HN 0.604 nan 8.150 nan 0.000 0.423 393 N N 1.110 119.858 118.700 0.079 0.000 2.482 393 N HA 0.139 4.879 4.740 -0.001 0.000 0.242 393 N C 0.185 175.722 175.510 0.045 0.000 1.100 393 N CA -0.353 52.724 53.050 0.045 0.000 0.946 393 N CB 0.010 38.522 38.487 0.042 0.000 1.227 393 N HN 0.461 nan 8.380 nan 0.000 0.508 394 c N 2.784 121.400 118.600 0.027 0.000 2.536 394 c HA 0.152 4.721 4.570 -0.001 0.000 0.285 394 c C 1.738 175.842 174.090 0.024 0.000 1.371 394 c CA 0.024 56.368 56.329 0.025 0.000 1.675 394 c CB -1.053 41.466 42.510 0.014 0.000 1.689 394 c HN 0.671 nan 8.230 nan 0.000 0.589 395 K N -0.339 120.074 120.400 0.022 0.000 2.360 395 K HA 0.212 4.531 4.320 -0.001 0.000 0.196 395 K C 1.636 178.267 176.600 0.052 0.000 1.049 395 K CA 0.156 56.458 56.287 0.025 0.000 1.049 395 K CB 0.144 32.645 32.500 0.001 0.000 0.881 395 K HN 0.444 nan 8.250 nan 0.000 0.542 396 M N 0.510 120.150 119.600 0.066 0.000 2.337 396 M HA 0.099 4.579 4.480 -0.001 0.000 0.256 396 M C -0.813 175.539 176.300 0.087 0.000 1.075 396 M CA 0.754 56.116 55.300 0.104 0.000 1.024 396 M CB 1.235 33.911 32.600 0.127 0.000 1.429 396 M HN -0.237 nan 8.290 nan 0.000 0.497 397 T N 0.465 115.062 114.554 0.071 0.000 3.172 397 T HA 0.205 4.555 4.350 -0.001 0.000 0.320 397 T C -0.639 174.088 174.700 0.044 0.000 1.085 397 T CA -0.666 61.474 62.100 0.065 0.000 1.052 397 T CB 1.632 70.556 68.868 0.093 0.000 1.107 397 T HN 0.278 nan 8.240 nan 0.000 0.458 398 T N 0.373 114.948 114.554 0.034 0.000 2.754 398 T HA 0.229 4.579 4.350 -0.001 0.000 0.282 398 T C 0.441 175.146 174.700 0.008 0.000 0.923 398 T CA -0.560 61.552 62.100 0.020 0.000 1.164 398 T CB -0.982 67.896 68.868 0.017 0.000 0.873 398 T HN 0.653 nan 8.240 nan 0.000 0.537 399 c N 6.089 124.690 118.600 0.003 0.000 2.252 399 c HA 0.351 4.920 4.570 -0.001 0.000 0.342 399 c C 1.184 175.265 174.090 -0.015 0.000 1.110 399 c CA -0.966 55.355 56.329 -0.014 0.000 1.581 399 c CB -1.500 41.002 42.510 -0.013 0.000 2.087 399 c HN 0.791 nan 8.230 nan 0.000 0.500 400 R N 1.834 122.321 120.500 -0.020 0.000 2.196 400 R HA 0.262 4.602 4.340 -0.001 0.000 0.340 400 R C -0.352 175.935 176.300 -0.022 0.000 1.043 400 R CA -0.182 55.908 56.100 -0.017 0.000 0.883 400 R CB 0.735 31.027 30.300 -0.014 0.000 1.078 400 R HN 0.713 nan 8.270 nan 0.000 0.462 401 c N 3.777 122.367 118.600 -0.017 0.000 2.464 401 c HA 0.334 4.904 4.570 -0.001 0.000 0.370 401 c C 1.654 175.734 174.090 -0.017 0.000 1.267 401 c CA -0.256 56.062 56.329 -0.019 0.000 1.781 401 c CB -0.517 41.985 42.510 -0.014 0.000 2.431 401 c HN 0.966 nan 8.230 nan 0.000 0.556 402 A N 3.914 126.722 122.820 -0.020 0.000 1.832 402 A HA -0.034 4.286 4.320 -0.001 0.000 0.214 402 A C 2.084 179.658 177.584 -0.016 0.000 1.242 402 A CA 1.704 53.731 52.037 -0.017 0.000 0.603 402 A CB -0.966 18.023 19.000 -0.018 0.000 0.902 402 A HN 0.856 nan 8.150 nan 0.000 0.455 403 D N 0.256 120.644 120.400 -0.019 0.000 2.127 403 D HA -0.089 4.551 4.640 -0.001 0.000 0.190 403 D C -1.617 174.673 176.300 -0.017 0.000 1.000 403 D CA 1.431 55.420 54.000 -0.020 0.000 0.839 403 D CB -0.974 39.811 40.800 -0.025 0.000 0.955 403 D HN 0.313 nan 8.370 nan 0.000 0.446 404 P HA 0.357 nan 4.420 nan 0.000 0.253 404 P C -2.646 174.648 177.300 -0.009 0.000 1.667 404 P CA -1.659 61.435 63.100 -0.011 0.000 1.118 404 P CB 1.254 32.948 31.700 -0.010 0.000 1.595 405 P HA 0.297 nan 4.420 nan 0.000 0.266 405 P C 0.508 177.806 177.300 -0.005 0.000 1.186 405 P CA 1.023 64.119 63.100 -0.007 0.000 0.767 405 P CB 0.318 32.014 31.700 -0.006 0.000 0.820 406 G N 1.534 110.331 108.800 -0.004 0.000 2.335 406 G HA2 0.109 4.068 3.960 -0.001 0.000 0.592 406 G HA3 0.109 4.068 3.960 -0.001 0.000 0.592 406 G C -1.514 173.385 174.900 -0.002 0.000 1.442 406 G CA -0.980 44.119 45.100 -0.002 0.000 0.976 406 G HN 0.347 nan 8.290 nan 0.000 0.652 407 I N 1.035 121.605 120.570 0.001 0.000 2.472 407 I HA 0.456 4.625 4.170 -0.001 0.000 0.290 407 I C 0.976 177.094 176.117 0.003 0.000 1.016 407 I CA -0.717 60.584 61.300 0.001 0.000 1.348 407 I CB 1.140 39.143 38.000 0.005 0.000 1.417 407 I HN 0.416 nan 8.210 nan 0.000 0.521 408 I N 4.823 125.394 120.570 0.001 0.000 2.437 408 I HA 0.427 4.597 4.170 -0.001 0.000 0.298 408 I C 0.356 176.476 176.117 0.006 0.000 0.984 408 I CA -0.087 61.215 61.300 0.003 0.000 1.214 408 I CB 1.678 39.677 38.000 -0.001 0.000 1.365 408 I HN 0.751 nan 8.210 nan 0.000 0.469 409 S N 4.247 119.951 115.700 0.008 0.000 2.672 409 S HA 0.731 5.201 4.470 -0.001 0.000 0.271 409 S C -1.142 173.463 174.600 0.009 0.000 1.171 409 S CA -0.815 57.390 58.200 0.009 0.000 0.817 409 S CB 2.439 65.647 63.200 0.014 0.000 1.150 409 S HN 0.535 nan 8.310 nan 0.000 0.478 410 Q N 0.627 120.431 119.800 0.008 0.000 2.418 410 Q HA 0.552 4.891 4.340 -0.001 0.000 0.282 410 Q C -1.094 174.916 176.000 0.016 0.000 1.044 410 Q CA -0.466 55.341 55.803 0.007 0.000 0.813 410 Q CB 1.668 30.404 28.738 -0.004 0.000 1.428 410 Q HN 0.800 nan 8.270 nan 0.000 0.402 411 N N 0.886 119.602 118.700 0.026 0.000 2.329 411 N HA -0.114 4.626 4.740 -0.001 0.000 0.237 411 N C 0.167 175.718 175.510 0.068 0.000 1.258 411 N CA 0.604 53.687 53.050 0.055 0.000 0.866 411 N CB 0.251 38.768 38.487 0.050 0.000 1.102 411 N HN 0.759 nan 8.380 nan 0.000 0.440 412 Y N 1.469 121.765 120.300 -0.007 0.000 2.315 412 Y HA -0.075 4.476 4.550 0.000 0.000 0.288 412 Y C 2.029 177.924 175.900 -0.008 0.000 1.154 412 Y CA 1.981 60.075 58.100 -0.010 0.000 1.229 412 Y CB -0.397 38.055 38.460 -0.014 0.000 0.980 412 Y HN 0.706 nan 8.280 nan 0.000 0.540 413 G N -0.216 108.662 108.800 0.131 0.000 2.485 413 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.221 413 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.221 413 G C 0.253 175.145 174.900 -0.013 0.000 1.115 413 G CA 0.712 45.855 45.100 0.072 0.000 0.751 413 G HN 0.472 nan 8.290 nan 0.000 0.567 414 E N -0.135 120.037 120.200 -0.047 0.000 2.145 414 E HA 0.529 4.878 4.350 -0.001 0.000 0.262 414 E C 0.760 177.286 176.600 -0.124 0.000 0.883 414 E CA -0.366 55.995 56.400 -0.065 0.000 0.748 414 E CB 1.756 31.438 29.700 -0.030 0.000 1.140 414 E HN 0.094 nan 8.360 nan 0.000 0.417 415 A N 3.256 125.982 122.820 -0.157 0.000 2.067 415 A HA -0.007 4.313 4.320 -0.001 0.000 0.219 415 A C 0.843 178.363 177.584 -0.107 0.000 1.158 415 A CA 0.738 52.658 52.037 -0.195 0.000 0.661 415 A CB 0.301 19.192 19.000 -0.183 0.000 0.801 415 A HN 0.342 nan 8.150 nan 0.000 0.452 416 V N -0.016 119.862 119.914 -0.060 0.000 2.656 416 V HA 0.414 4.533 4.120 -0.001 0.000 0.307 416 V C -0.273 175.813 176.094 -0.012 0.000 1.051 416 V CA -0.714 61.572 62.300 -0.023 0.000 0.893 416 V CB 1.931 33.754 31.823 -0.001 0.000 0.999 416 V HN 0.195 nan 8.190 nan 0.000 0.426 417 S N 4.078 119.778 115.700 0.000 0.000 2.508 417 S HA 0.640 5.110 4.470 -0.001 0.000 0.284 417 S C -0.569 174.039 174.600 0.013 0.000 1.192 417 S CA -0.379 57.824 58.200 0.004 0.000 1.070 417 S CB 1.348 64.551 63.200 0.005 0.000 1.004 417 S HN 0.578 nan 8.310 nan 0.000 0.493 418 L N 4.709 125.939 121.223 0.012 0.000 2.280 418 L HA 0.585 4.924 4.340 -0.001 0.000 0.287 418 L C -1.198 175.683 176.870 0.018 0.000 1.023 418 L CA -0.210 54.640 54.840 0.018 0.000 0.819 418 L CB 0.146 42.216 42.059 0.017 0.000 1.212 418 L HN 0.592 nan 8.230 nan 0.000 0.420 419 I N 5.525 126.105 120.570 0.016 0.000 2.330 419 I HA 0.412 4.582 4.170 -0.001 0.000 0.289 419 I C -0.641 175.488 176.117 0.019 0.000 1.001 419 I CA -0.542 60.765 61.300 0.012 0.000 1.193 419 I CB 1.224 39.220 38.000 -0.006 0.000 1.345 419 I HN 0.648 nan 8.210 nan 0.000 0.461 420 D N 4.888 125.311 120.400 0.037 0.000 2.784 420 D HA 0.419 5.059 4.640 -0.001 0.000 0.256 420 D C 1.129 177.443 176.300 0.025 0.000 1.129 420 D CA -0.635 53.394 54.000 0.048 0.000 1.102 420 D CB 0.510 41.373 40.800 0.105 0.000 1.330 420 D HN 0.213 nan 8.370 nan 0.000 0.626 421 R N -0.909 119.585 120.500 -0.009 0.000 2.189 421 R HA -0.017 4.323 4.340 -0.001 0.000 0.218 421 R C 1.917 178.130 176.300 -0.146 0.000 1.074 421 R CA 1.772 57.807 56.100 -0.107 0.000 0.991 421 R CB -1.902 28.285 30.300 -0.188 0.000 0.883 421 R HN 0.673 nan 8.270 nan 0.000 0.457 422 H N -0.170 118.895 119.070 -0.009 0.000 2.555 422 H HA 0.059 4.614 4.556 -0.001 0.000 0.269 422 H C 1.733 177.056 175.328 -0.009 0.000 0.988 422 H CA 1.501 57.544 56.048 -0.009 0.000 1.178 422 H CB 0.659 30.417 29.762 -0.006 0.000 1.373 422 H HN 0.633 nan 8.280 nan 0.000 0.588 423 S N -2.392 113.355 115.700 0.077 0.000 2.684 423 S HA 0.202 4.672 4.470 -0.001 0.000 0.268 423 S C 0.182 174.790 174.600 0.013 0.000 1.075 423 S CA -0.310 57.916 58.200 0.044 0.000 1.184 423 S CB 0.343 63.569 63.200 0.044 0.000 1.129 423 S HN 0.229 nan 8.310 nan 0.000 0.630 424 c N 0.766 119.366 118.600 -0.001 0.000 3.247 424 c HA 0.539 5.108 4.570 -0.001 0.000 0.375 424 c C 0.047 174.120 174.090 -0.029 0.000 1.102 424 c CA -0.452 55.868 56.329 -0.015 0.000 1.227 424 c CB 0.649 43.151 42.510 -0.014 0.000 1.586 424 c HN 0.568 nan 8.230 nan 0.000 0.544 425 N N 1.179 119.859 118.700 -0.033 0.000 2.454 425 N HA 0.229 4.969 4.740 -0.001 0.000 0.177 425 N C -0.647 174.843 175.510 -0.034 0.000 1.049 425 N CA 0.479 53.505 53.050 -0.040 0.000 0.887 425 N CB 0.743 39.203 38.487 -0.045 0.000 1.095 425 N HN 0.436 nan 8.380 nan 0.000 0.446 426 V N 2.108 122.004 119.914 -0.030 0.000 2.623 426 V HA 0.408 4.528 4.120 -0.001 0.000 0.304 426 V C -1.207 174.868 176.094 -0.033 0.000 1.054 426 V CA -0.782 61.500 62.300 -0.029 0.000 0.882 426 V CB 2.264 34.073 31.823 -0.024 0.000 1.002 426 V HN 0.013 nan 8.190 nan 0.000 0.424 427 L N 4.527 125.723 121.223 -0.043 0.000 2.354 427 L HA 0.926 5.265 4.340 -0.001 0.000 0.269 427 L C -0.030 176.800 176.870 -0.067 0.000 1.005 427 L CA 0.036 54.842 54.840 -0.056 0.000 0.819 427 L CB 2.572 44.587 42.059 -0.073 0.000 1.311 427 L HN 0.757 nan 8.230 nan 0.000 0.423 428 S N 4.282 119.944 115.700 -0.064 0.000 2.733 428 S HA 0.701 5.170 4.470 -0.001 0.000 0.307 428 S C -0.514 174.043 174.600 -0.073 0.000 1.127 428 S CA -0.762 57.400 58.200 -0.063 0.000 1.097 428 S CB 0.386 63.565 63.200 -0.035 0.000 1.003 428 S HN 0.597 nan 8.310 nan 0.000 0.477 429 L N 1.138 122.291 121.223 -0.115 0.000 2.544 429 L HA 0.524 4.863 4.340 -0.001 0.000 0.256 429 L C -0.106 176.752 176.870 -0.021 0.000 1.097 429 L CA -1.213 53.563 54.840 -0.107 0.000 0.812 429 L CB 0.377 42.259 42.059 -0.295 0.000 1.440 429 L HN 0.494 nan 8.230 nan 0.000 0.496 430 D N 0.945 121.372 120.400 0.044 0.000 2.385 430 D HA 0.309 4.949 4.640 -0.001 0.000 0.260 430 D C 0.722 177.080 176.300 0.095 0.000 1.326 430 D CA 1.231 55.273 54.000 0.071 0.000 1.023 430 D CB 0.417 41.270 40.800 0.088 0.000 1.083 430 D HN 0.755 nan 8.370 nan 0.000 0.517 431 G N 0.602 109.436 108.800 0.057 0.000 2.905 431 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.199 431 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.199 431 G C 0.426 175.353 174.900 0.045 0.000 1.370 431 G CA -0.072 45.064 45.100 0.060 0.000 0.966 431 G HN 0.695 nan 8.290 nan 0.000 0.522 432 I N 0.682 121.278 120.570 0.042 0.000 3.023 432 I HA 0.942 5.112 4.170 -0.001 0.000 0.312 432 I C 0.288 176.385 176.117 -0.033 0.000 1.056 432 I CA -0.154 61.155 61.300 0.014 0.000 1.033 432 I CB 1.827 39.852 38.000 0.042 0.000 1.233 432 I HN 0.430 nan 8.210 nan 0.000 0.462 433 T N 3.746 118.282 114.554 -0.030 0.000 3.009 433 T HA 0.669 5.019 4.350 -0.001 0.000 0.346 433 T C -0.237 174.438 174.700 -0.040 0.000 1.092 433 T CA 0.148 62.222 62.100 -0.042 0.000 1.080 433 T CB 0.235 69.089 68.868 -0.024 0.000 1.037 433 T HN 1.561 nan 8.240 nan 0.000 0.487 434 L N 2.814 123.997 121.223 -0.066 0.000 2.375 434 L HA 0.798 5.137 4.340 -0.001 0.000 0.271 434 L C 0.500 177.349 176.870 -0.036 0.000 1.107 434 L CA -0.927 53.884 54.840 -0.049 0.000 0.806 434 L CB -0.168 41.847 42.059 -0.072 0.000 1.146 434 L HN 0.783 nan 8.230 nan 0.000 0.447 435 R N 2.194 122.685 120.500 -0.015 0.000 2.239 435 R HA 0.594 4.934 4.340 -0.001 0.000 0.332 435 R C -0.333 175.962 176.300 -0.008 0.000 0.988 435 R CA -0.592 55.502 56.100 -0.009 0.000 0.859 435 R CB 0.636 30.942 30.300 0.010 0.000 1.148 435 R HN 0.735 nan 8.270 nan 0.000 0.482 436 L N 2.170 123.381 121.223 -0.020 0.000 2.672 436 L HA 0.276 4.616 4.340 -0.001 0.000 0.236 436 L C 0.030 176.883 176.870 -0.028 0.000 1.186 436 L CA 0.596 55.424 54.840 -0.021 0.000 0.977 436 L CB 0.101 42.144 42.059 -0.025 0.000 1.203 436 L HN 0.447 nan 8.230 nan 0.000 0.448 437 S N -1.155 114.529 115.700 -0.027 0.000 2.552 437 S HA 0.848 5.317 4.470 -0.001 0.000 0.272 437 S C -0.814 173.757 174.600 -0.049 0.000 1.150 437 S CA -0.044 58.128 58.200 -0.046 0.000 0.849 437 S CB 1.616 64.775 63.200 -0.068 0.000 1.113 437 S HN 0.230 nan 8.310 nan 0.000 0.458 438 G N 1.647 110.398 108.800 -0.081 0.000 2.429 438 G HA2 0.470 4.430 3.960 -0.001 0.000 0.300 438 G HA3 0.470 4.430 3.960 -0.001 0.000 0.300 438 G C -2.221 172.537 174.900 -0.236 0.000 1.598 438 G CA -0.508 44.491 45.100 -0.169 0.000 0.863 438 G HN 0.670 nan 8.290 nan 0.000 0.614 439 E N -0.023 119.870 120.200 -0.511 0.000 2.290 439 E HA 0.767 5.117 4.350 -0.001 0.000 0.274 439 E C -1.800 174.399 176.600 -0.669 0.000 0.889 439 E CA -0.753 55.414 56.400 -0.387 0.000 0.760 439 E CB 1.378 30.943 29.700 -0.225 0.000 1.206 439 E HN 0.331 nan 8.360 nan 0.000 0.419 440 F N 2.798 122.744 119.950 -0.006 0.000 2.610 440 F HA 0.374 4.900 4.527 -0.001 0.000 0.355 440 F C -0.728 175.073 175.800 0.002 0.000 1.140 440 F CA -0.899 57.100 58.000 -0.002 0.000 1.037 440 F CB 1.544 40.544 39.000 -0.000 0.000 1.287 440 F HN 0.231 nan 8.300 nan 0.000 0.457 441 D N 2.781 123.255 120.400 0.125 0.000 2.303 441 D HA 0.706 5.346 4.640 -0.001 0.000 0.236 441 D C -0.530 175.822 176.300 0.088 0.000 1.068 441 D CA -0.088 53.963 54.000 0.085 0.000 0.830 441 D CB 1.865 42.688 40.800 0.038 0.000 1.109 441 D HN 0.555 nan 8.370 nan 0.000 0.496 442 A N 1.725 124.596 122.820 0.085 0.000 2.479 442 A HA 0.838 5.157 4.320 -0.001 0.000 0.296 442 A C -0.571 177.057 177.584 0.074 0.000 1.121 442 A CA -0.644 51.440 52.037 0.078 0.000 0.743 442 A CB 1.682 20.735 19.000 0.089 0.000 1.323 442 A HN 0.348 nan 8.150 nan 0.000 0.415 443 T N 0.755 115.349 114.554 0.067 0.000 2.848 443 T HA 0.486 4.835 4.350 -0.001 0.000 0.285 443 T C -1.678 173.075 174.700 0.088 0.000 0.995 443 T CA 0.045 62.188 62.100 0.072 0.000 0.970 443 T CB 0.783 69.673 68.868 0.036 0.000 0.976 443 T HN 0.435 nan 8.240 nan 0.000 0.441 444 Y N 4.637 124.939 120.300 0.003 0.000 2.369 444 Y HA 0.457 5.007 4.550 -0.001 0.000 0.337 444 Y C 0.363 176.263 175.900 -0.001 0.000 0.961 444 Y CA -0.384 57.716 58.100 0.000 0.000 1.186 444 Y CB 0.561 39.020 38.460 -0.002 0.000 1.139 444 Y HN 0.674 nan 8.280 nan 0.000 0.494 445 Q N 3.359 123.093 119.800 -0.110 0.000 2.857 445 Q HA 0.581 4.920 4.340 -0.001 0.000 0.319 445 Q C -1.858 174.080 176.000 -0.102 0.000 0.963 445 Q CA -1.526 54.255 55.803 -0.036 0.000 0.770 445 Q CB 2.842 31.567 28.738 -0.023 0.000 1.492 445 Q HN 0.483 nan 8.270 nan 0.000 0.493 446 K N 0.740 121.116 120.400 -0.041 0.000 2.553 446 K HA 0.343 4.663 4.320 -0.001 0.000 0.250 446 K C -1.595 174.990 176.600 -0.024 0.000 0.953 446 K CA -0.589 55.673 56.287 -0.041 0.000 0.800 446 K CB 1.415 33.911 32.500 -0.006 0.000 1.243 446 K HN 0.625 nan 8.250 nan 0.000 0.435 447 N N 4.962 123.643 118.700 -0.031 0.000 2.437 447 N HA 0.256 4.996 4.740 -0.001 0.000 0.243 447 N C -0.465 175.038 175.510 -0.012 0.000 1.041 447 N CA -0.131 52.907 53.050 -0.020 0.000 0.940 447 N CB 0.601 39.074 38.487 -0.023 0.000 1.133 447 N HN 0.496 nan 8.380 nan 0.000 0.506 448 I N 1.294 121.861 120.570 -0.005 0.000 2.352 448 I HA 0.120 4.289 4.170 -0.001 0.000 0.290 448 I C 0.083 176.199 176.117 -0.002 0.000 1.036 448 I CA -0.015 61.284 61.300 -0.001 0.000 1.336 448 I CB 0.598 38.600 38.000 0.003 0.000 1.407 448 I HN 0.204 nan 8.210 nan 0.000 0.497 449 S N 7.510 123.209 115.700 -0.001 0.000 2.596 449 S HA 0.539 5.008 4.470 -0.001 0.000 0.318 449 S C -0.220 174.380 174.600 0.001 0.000 1.097 449 S CA -0.646 57.553 58.200 -0.001 0.000 1.080 449 S CB 1.236 64.434 63.200 -0.003 0.000 0.991 449 S HN 0.500 nan 8.310 nan 0.000 0.471 450 I N 1.140 121.711 120.570 0.002 0.000 2.428 450 I HA 0.570 4.739 4.170 -0.001 0.000 0.296 450 I C -0.757 175.362 176.117 0.003 0.000 0.985 450 I CA -0.919 60.383 61.300 0.003 0.000 1.260 450 I CB 0.620 38.622 38.000 0.004 0.000 1.389 450 I HN 0.380 nan 8.210 nan 0.000 0.484 451 L N 4.210 125.436 121.223 0.004 0.000 2.334 451 L HA 0.348 4.688 4.340 -0.001 0.000 0.277 451 L C -0.575 176.298 176.870 0.004 0.000 1.075 451 L CA -0.470 54.372 54.840 0.004 0.000 0.804 451 L CB 0.730 42.791 42.059 0.004 0.000 1.174 451 L HN 0.568 nan 8.230 nan 0.000 0.438 452 D N 1.425 121.828 120.400 0.004 0.000 2.500 452 D HA 0.058 4.698 4.640 -0.001 0.000 0.219 452 D C 0.115 176.419 176.300 0.005 0.000 1.137 452 D CA 0.130 54.133 54.000 0.005 0.000 0.946 452 D CB 1.140 41.943 40.800 0.004 0.000 1.022 452 D HN 0.277 nan 8.370 nan 0.000 0.518 453 S N 2.214 117.918 115.700 0.006 0.000 2.437 453 S HA 0.007 4.476 4.470 -0.001 0.000 0.304 453 S C 0.349 174.953 174.600 0.008 0.000 1.167 453 S CA -0.583 57.620 58.200 0.007 0.000 1.106 453 S CB -0.047 63.157 63.200 0.007 0.000 1.099 453 S HN 0.220 nan 8.310 nan 0.000 0.524 454 Q N 3.403 123.207 119.800 0.007 0.000 2.242 454 Q HA 0.090 4.429 4.340 -0.001 0.000 0.284 454 Q C -0.264 175.742 176.000 0.010 0.000 1.130 454 Q CA -0.056 55.752 55.803 0.008 0.000 0.940 454 Q CB 0.417 29.160 28.738 0.008 0.000 1.146 454 Q HN 0.477 nan 8.270 nan 0.000 0.388 455 V N 5.449 125.370 119.914 0.012 0.000 2.470 455 V HA -0.028 4.091 4.120 -0.001 0.000 0.276 455 V C 1.504 177.607 176.094 0.015 0.000 1.040 455 V CA 0.214 62.523 62.300 0.014 0.000 1.008 455 V CB 0.497 32.330 31.823 0.017 0.000 0.990 455 V HN 0.767 nan 8.190 nan 0.000 0.477 456 I N 4.074 124.653 120.570 0.015 0.000 2.493 456 I HA -0.078 4.092 4.170 -0.001 0.000 0.254 456 I C 0.880 177.009 176.117 0.021 0.000 1.160 456 I CA 0.629 61.938 61.300 0.016 0.000 1.445 456 I CB -0.169 37.839 38.000 0.013 0.000 1.086 456 I HN 0.379 nan 8.210 nan 0.000 0.433 457 V N 2.946 122.874 119.914 0.024 0.000 2.458 457 V HA 0.026 4.146 4.120 -0.001 0.000 0.287 457 V C 0.462 176.578 176.094 0.038 0.000 1.009 457 V CA 0.525 62.845 62.300 0.034 0.000 1.091 457 V CB -0.280 31.568 31.823 0.041 0.000 0.960 457 V HN 0.474 nan 8.190 nan 0.000 0.476 458 T N 1.497 116.076 114.554 0.041 0.000 2.916 458 T HA 0.616 4.966 4.350 -0.001 0.000 0.305 458 T C 0.085 174.813 174.700 0.047 0.000 1.119 458 T CA -0.237 61.886 62.100 0.038 0.000 1.008 458 T CB 1.947 70.832 68.868 0.028 0.000 1.129 458 T HN 0.730 nan 8.240 nan 0.000 0.480 459 G N 1.628 110.453 108.800 0.042 0.000 3.515 459 G HA2 0.354 4.313 3.960 -0.001 0.000 0.288 459 G HA3 0.354 4.313 3.960 -0.001 0.000 0.288 459 G C 0.243 175.162 174.900 0.031 0.000 1.012 459 G CA -0.846 44.280 45.100 0.043 0.000 1.689 459 G HN 0.825 nan 8.290 nan 0.000 0.572 460 N N 1.299 120.018 118.700 0.031 0.000 2.610 460 N HA 0.087 4.827 4.740 -0.001 0.000 0.309 460 N C -0.389 175.136 175.510 0.024 0.000 1.536 460 N CA -0.700 52.364 53.050 0.024 0.000 0.954 460 N CB 0.795 39.294 38.487 0.020 0.000 1.310 460 N HN 0.201 nan 8.380 nan 0.000 0.502 461 L N 0.868 122.108 121.223 0.028 0.000 2.261 461 L HA 0.383 4.723 4.340 -0.001 0.000 0.289 461 L C -0.811 176.071 176.870 0.021 0.000 1.059 461 L CA 0.124 54.981 54.840 0.027 0.000 0.816 461 L CB 0.803 42.884 42.059 0.037 0.000 1.191 461 L HN 0.164 nan 8.230 nan 0.000 0.431 462 D N 5.067 125.476 120.400 0.016 0.000 2.485 462 D HA 0.275 4.915 4.640 -0.001 0.000 0.256 462 D C 0.606 176.913 176.300 0.011 0.000 1.141 462 D CA -0.133 53.875 54.000 0.012 0.000 0.942 462 D CB 0.576 41.382 40.800 0.010 0.000 1.003 462 D HN 0.455 nan 8.370 nan 0.000 0.507 463 I N 1.355 121.932 120.570 0.012 0.000 3.874 463 I HA 0.194 4.363 4.170 -0.001 0.000 0.331 463 I C 1.650 177.772 176.117 0.008 0.000 1.489 463 I CA -0.170 61.136 61.300 0.010 0.000 1.187 463 I CB -0.318 37.689 38.000 0.012 0.000 1.150 463 I HN 0.278 nan 8.210 nan 0.000 0.412 464 S N -0.256 115.448 115.700 0.007 0.000 2.425 464 S HA -0.111 4.359 4.470 -0.001 0.000 0.225 464 S C 2.227 176.829 174.600 0.004 0.000 1.024 464 S CA 1.667 59.870 58.200 0.006 0.000 0.951 464 S CB -0.130 63.073 63.200 0.005 0.000 0.796 464 S HN 0.791 nan 8.310 nan 0.000 0.498 465 T N 2.356 116.912 114.554 0.004 0.000 2.788 465 T HA -0.081 4.269 4.350 -0.001 0.000 0.268 465 T C 1.619 176.321 174.700 0.003 0.000 1.044 465 T CA 1.401 63.503 62.100 0.004 0.000 1.139 465 T CB -0.235 68.636 68.868 0.004 0.000 0.867 465 T HN 0.387 nan 8.240 nan 0.000 0.454 466 E N 0.622 120.824 120.200 0.004 0.000 2.122 466 E HA 0.135 4.484 4.350 -0.001 0.000 0.190 466 E C 1.925 178.527 176.600 0.003 0.000 0.977 466 E CA 0.101 56.503 56.400 0.003 0.000 0.820 466 E CB -0.434 29.267 29.700 0.003 0.000 0.770 466 E HN 0.197 nan 8.360 nan 0.000 0.462 467 L N 0.654 121.879 121.223 0.004 0.000 2.046 467 L HA -0.014 4.326 4.340 -0.001 0.000 0.208 467 L C 2.037 178.909 176.870 0.003 0.000 1.077 467 L CA 2.268 57.111 54.840 0.004 0.000 0.747 467 L CB -0.980 41.082 42.059 0.005 0.000 0.896 467 L HN 0.202 nan 8.230 nan 0.000 0.432 468 G N -0.961 107.841 108.800 0.003 0.000 2.418 468 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.217 468 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.217 468 G C 1.361 176.262 174.900 0.002 0.000 1.158 468 G CA 0.727 45.828 45.100 0.002 0.000 0.771 468 G HN 0.457 nan 8.290 nan 0.000 0.545 469 N N 0.151 118.852 118.700 0.002 0.000 2.519 469 N HA -0.055 4.685 4.740 -0.001 0.000 0.186 469 N C 2.026 177.536 175.510 0.001 0.000 1.062 469 N CA 0.600 53.651 53.050 0.001 0.000 0.910 469 N CB 0.125 38.613 38.487 0.001 0.000 0.958 469 N HN 0.277 nan 8.380 nan 0.000 0.445 470 V N 0.276 120.191 119.914 0.001 0.000 2.492 470 V HA -0.018 4.101 4.120 -0.001 0.000 0.241 470 V C 1.964 178.059 176.094 0.001 0.000 1.041 470 V CA 0.817 63.117 62.300 0.001 0.000 1.057 470 V CB -0.509 31.314 31.823 0.001 0.000 0.711 470 V HN 0.226 nan 8.190 nan 0.000 0.468 471 N N 1.542 120.242 118.700 0.001 0.000 2.430 471 N HA -0.152 4.588 4.740 -0.001 0.000 0.186 471 N C 1.376 176.887 175.510 0.001 0.000 1.032 471 N CA 1.823 54.873 53.050 0.001 0.000 0.893 471 N CB -0.403 38.084 38.487 0.001 0.000 0.957 471 N HN 0.647 nan 8.380 nan 0.000 0.442 472 N N -1.228 117.472 118.700 0.001 0.000 2.439 472 N HA 0.011 4.750 4.740 -0.001 0.000 0.176 472 N C 1.818 177.328 175.510 0.001 0.000 1.029 472 N CA 0.883 53.934 53.050 0.001 0.000 0.886 472 N CB -0.818 37.669 38.487 0.001 0.000 1.057 472 N HN 0.229 nan 8.380 nan 0.000 0.437 473 S N -0.064 115.637 115.700 0.001 0.000 2.423 473 S HA 0.058 4.527 4.470 -0.001 0.000 0.231 473 S C 1.846 176.446 174.600 0.000 0.000 1.014 473 S CA 0.712 58.912 58.200 0.000 0.000 0.965 473 S CB -0.490 62.711 63.200 0.000 0.000 0.785 473 S HN 0.537 nan 8.310 nan 0.000 0.495 474 I N 0.797 121.367 120.570 0.000 0.000 2.315 474 I HA -0.117 4.053 4.170 -0.001 0.000 0.248 474 I C 2.680 178.797 176.117 0.000 0.000 1.117 474 I CA 1.147 62.447 61.300 -0.000 0.000 1.404 474 I CB -0.459 37.541 38.000 -0.000 0.000 1.071 474 I HN 0.351 nan 8.210 nan 0.000 0.419 475 S N 1.272 116.972 115.700 0.000 0.000 2.356 475 S HA -0.179 4.291 4.470 -0.001 0.000 0.223 475 S C 1.822 176.422 174.600 0.001 0.000 1.032 475 S CA 1.695 59.895 58.200 0.000 0.000 1.005 475 S CB -0.241 62.959 63.200 0.000 0.000 0.867 475 S HN 0.417 nan 8.310 nan 0.000 0.449 476 N N 1.469 120.169 118.700 0.001 0.000 2.381 476 N HA 0.097 4.837 4.740 -0.001 0.000 0.182 476 N C 1.588 177.099 175.510 0.001 0.000 1.025 476 N CA 1.067 54.117 53.050 0.001 0.000 0.888 476 N CB -0.579 37.908 38.487 0.001 0.000 0.965 476 N HN 0.526 nan 8.380 nan 0.000 0.438 477 A N 0.532 123.352 122.820 0.001 0.000 2.021 477 A HA 0.217 4.536 4.320 -0.001 0.000 0.216 477 A C 2.536 180.120 177.584 0.001 0.000 1.163 477 A CA 1.210 53.248 52.037 0.001 0.000 0.676 477 A CB -0.661 18.339 19.000 0.001 0.000 0.818 477 A HN 0.227 nan 8.150 nan 0.000 0.453 478 L N 0.250 121.473 121.223 0.001 0.000 2.131 478 L HA -0.012 4.328 4.340 -0.001 0.000 0.206 478 L C 2.054 178.924 176.870 0.001 0.000 1.087 478 L CA 2.507 57.348 54.840 0.001 0.000 0.767 478 L CB -1.619 40.440 42.059 0.001 0.000 0.917 478 L HN 0.686 nan 8.230 nan 0.000 0.441 479 D N -0.574 119.827 120.400 0.001 0.000 2.213 479 D HA 0.028 4.667 4.640 -0.001 0.000 0.205 479 D C 1.968 178.269 176.300 0.001 0.000 0.961 479 D CA 1.418 55.419 54.000 0.001 0.000 0.853 479 D CB -0.341 40.460 40.800 0.001 0.000 0.967 479 D HN 0.415 nan 8.370 nan 0.000 0.496 480 K N 0.789 121.190 120.400 0.001 0.000 2.283 480 K HA 0.148 4.468 4.320 -0.001 0.000 0.202 480 K C 2.046 178.647 176.600 0.002 0.000 1.048 480 K CA 1.056 57.344 56.287 0.002 0.000 0.948 480 K CB -1.123 31.378 32.500 0.002 0.000 0.742 480 K HN 0.393 nan 8.250 nan 0.000 0.458 481 L N -0.348 120.876 121.223 0.002 0.000 2.249 481 L HA 0.025 4.365 4.340 -0.001 0.000 0.207 481 L C 3.023 179.894 176.870 0.002 0.000 1.090 481 L CA 1.445 56.286 54.840 0.002 0.000 0.802 481 L CB -0.087 41.973 42.059 0.002 0.000 0.947 481 L HN 0.497 nan 8.230 nan 0.000 0.453 482 E N 0.389 120.590 120.200 0.002 0.000 2.110 482 E HA -0.253 4.097 4.350 -0.001 0.000 0.193 482 E C 1.985 178.586 176.600 0.002 0.000 0.988 482 E CA 1.605 58.006 56.400 0.002 0.000 0.804 482 E CB -1.184 28.517 29.700 0.001 0.000 0.745 482 E HN 0.718 nan 8.360 nan 0.000 0.458 483 E N 0.370 120.571 120.200 0.002 0.000 2.077 483 E HA -0.132 4.218 4.350 -0.001 0.000 0.193 483 E C 2.360 178.961 176.600 0.002 0.000 0.989 483 E CA 1.795 58.196 56.400 0.002 0.000 0.800 483 E CB -1.019 28.682 29.700 0.002 0.000 0.746 483 E HN 0.622 nan 8.360 nan 0.000 0.452 484 S N 0.917 116.619 115.700 0.002 0.000 2.353 484 S HA -0.252 4.217 4.470 -0.001 0.000 0.222 484 S C 2.124 176.725 174.600 0.002 0.000 1.035 484 S CA 1.806 60.007 58.200 0.002 0.000 1.025 484 S CB -0.395 62.807 63.200 0.003 0.000 0.902 484 S HN 0.534 nan 8.310 nan 0.000 0.440 485 N N 0.580 119.281 118.700 0.002 0.000 2.453 485 N HA 0.046 4.785 4.740 -0.001 0.000 0.183 485 N C 1.655 177.166 175.510 0.002 0.000 1.041 485 N CA 1.100 54.151 53.050 0.002 0.000 0.900 485 N CB -0.424 38.065 38.487 0.002 0.000 0.961 485 N HN 0.451 nan 8.380 nan 0.000 0.443 486 S N -0.847 114.855 115.700 0.002 0.000 2.503 486 S HA 0.091 4.561 4.470 -0.001 0.000 0.217 486 S C 1.824 176.425 174.600 0.001 0.000 0.999 486 S CA 0.881 59.081 58.200 0.002 0.000 0.914 486 S CB -0.028 63.173 63.200 0.001 0.000 0.782 486 S HN 0.474 nan 8.310 nan 0.000 0.520 487 K N 0.964 121.365 120.400 0.002 0.000 2.486 487 K HA 0.360 4.679 4.320 -0.001 0.000 0.194 487 K C 1.612 178.213 176.600 0.002 0.000 1.033 487 K CA 0.691 56.978 56.287 0.002 0.000 1.004 487 K CB -0.785 31.716 32.500 0.002 0.000 0.798 487 K HN 0.574 nan 8.250 nan 0.000 0.495 488 L N 0.236 121.460 121.223 0.002 0.000 2.416 488 L HA 0.027 4.367 4.340 -0.001 0.000 0.216 488 L C 1.078 177.949 176.870 0.002 0.000 1.098 488 L CA 0.249 55.090 54.840 0.002 0.000 0.840 488 L CB 0.081 42.141 42.059 0.002 0.000 0.981 488 L HN 0.240 nan 8.230 nan 0.000 0.462 489 D N 1.009 121.410 120.400 0.001 0.000 2.351 489 D HA -0.110 4.530 4.640 -0.001 0.000 0.216 489 D C 1.598 177.899 176.300 0.001 0.000 0.968 489 D CA 0.988 54.988 54.000 0.001 0.000 0.899 489 D CB -0.001 40.800 40.800 0.001 0.000 0.907 489 D HN 0.259 nan 8.370 nan 0.000 0.514 490 K N 0.490 120.891 120.400 0.001 0.000 3.095 490 K HA 0.435 4.755 4.320 -0.001 0.000 0.220 490 K C -0.147 176.454 176.600 0.001 0.000 1.216 490 K CA -0.298 55.990 56.287 0.001 0.000 1.167 490 K CB 0.078 32.578 32.500 0.001 0.000 1.199 490 K HN -0.017 nan 8.250 nan 0.000 0.458 491 V N 0.900 120.814 119.914 0.001 0.000 2.448 491 V HA 0.600 4.719 4.120 -0.001 0.000 0.295 491 V C 0.318 176.413 176.094 0.001 0.000 1.025 491 V CA -0.726 61.574 62.300 0.001 0.000 0.859 491 V CB 1.095 32.918 31.823 0.001 0.000 0.988 491 V HN 0.744 nan 8.190 nan 0.000 0.431 492 N N 1.987 120.688 118.700 0.001 0.000 2.477 492 N HA 0.974 5.714 4.740 -0.001 0.000 0.284 492 N C -0.340 175.170 175.510 0.001 0.000 1.182 492 N CA 0.218 53.268 53.050 0.001 0.000 0.949 492 N CB 1.897 40.385 38.487 0.001 0.000 1.204 492 N HN 1.449 nan 8.380 nan 0.000 0.526 493 V N 0.000 119.914 119.914 0.001 0.000 2.409 493 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 493 V CA 0.000 62.300 62.300 0.001 0.000 1.235 493 V CB 0.000 31.823 31.823 0.001 0.000 1.184 493 V HN 0.000 nan 8.190 nan 0.000 0.556