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 2dvm_1_B DATA FIRST_RESID 2 DATA SEQUENCE IREKALEFHK NNFPGNGKIE VIPKVSLESR EELTLAYTPG VAEPCKEIAR DATA SEQUENCE DPGKVYEYTS KGNLVAVVSD GSRILGLGNI GPLAGLPVME GKALLFKRFG DATA SEQUENCE GVDAFPIMIK EQEPNKFIDI VKAIAPTFGG INLEDIASPK CFYILERLRE DATA SEQUENCE ELDIPVFHDD QQGTAAVVLA GLLNALKVVG KKISEITLAL FGAGAAGFAT DATA SEQUENCE LRILTEAGVK PENVRVVELV NGKPRILTSD LDLEKLFPYR GWLLKKTNGE DATA SEQUENCE NIEGGPQEAL KDADVLISFT RPGPGVIKPQ WIEKMNEDAI VFPLANPVPE DATA SEQUENCE ILPEEAKKAG ARIVATGRSD YPNQINNLLG FPGIFRGALD VRARTITDSM DATA SEQUENCE IIAAAKAIAS IVEEPSEENI IPSPLNPIVY AREARAVAEE AMKEGVARTK DATA SEQUENCE VKGEWVEEHT IRLIEFYENV IAPINKKRRE YSKA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 I HA 0.000 nan 4.170 nan 0.000 0.288 2 I C 0.000 176.126 176.117 0.014 0.000 1.063 2 I CA 0.000 61.303 61.300 0.005 0.000 1.566 2 I CB 0.000 38.005 38.000 0.009 0.000 1.214 3 R N 2.377 122.885 120.500 0.014 0.000 2.096 3 R HA -0.218 4.122 4.340 -0.000 0.000 0.240 3 R C 1.067 177.388 176.300 0.034 0.000 1.139 3 R CA 2.836 58.947 56.100 0.018 0.000 0.952 3 R CB -0.028 30.279 30.300 0.012 0.000 0.854 3 R HN 0.708 nan 8.270 nan 0.000 0.436 4 E N 0.527 120.748 120.200 0.035 0.000 2.058 4 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 4 E C 1.952 178.594 176.600 0.070 0.000 0.997 4 E CA 1.673 58.101 56.400 0.046 0.000 0.801 4 E CB -0.048 29.674 29.700 0.037 0.000 0.746 4 E HN 0.368 nan 8.360 nan 0.000 0.450 5 K N 0.072 120.513 120.400 0.067 0.000 2.057 5 K HA -0.043 4.277 4.320 -0.000 0.000 0.207 5 K C 2.174 178.862 176.600 0.146 0.000 1.049 5 K CA 1.136 57.479 56.287 0.094 0.000 0.931 5 K CB -0.211 32.325 32.500 0.060 0.000 0.714 5 K HN 0.127 nan 8.250 nan 0.000 0.440 6 A N 1.580 124.469 122.820 0.115 0.000 1.877 6 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 6 A C 2.149 179.917 177.584 0.306 0.000 1.186 6 A CA 1.313 53.457 52.037 0.178 0.000 0.620 6 A CB -0.686 18.366 19.000 0.085 0.000 0.822 6 A HN 0.152 nan 8.150 nan 0.000 0.443 7 L N -1.166 120.158 121.223 0.169 0.000 2.046 7 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 7 L C 2.675 179.667 176.870 0.204 0.000 1.077 7 L CA 1.728 56.657 54.840 0.148 0.000 0.747 7 L CB -0.520 41.583 42.059 0.073 0.000 0.896 7 L HN 0.375 nan 8.230 nan 0.000 0.432 8 E N 0.163 120.471 120.200 0.179 0.000 2.110 8 E HA -0.251 4.099 4.350 -0.000 0.000 0.193 8 E C 1.921 178.632 176.600 0.184 0.000 0.988 8 E CA 1.137 57.628 56.400 0.152 0.000 0.804 8 E CB -0.281 29.491 29.700 0.120 0.000 0.745 8 E HN 0.359 nan 8.360 nan 0.000 0.458 9 F N 0.262 120.268 119.950 0.094 0.000 2.216 9 F HA -0.176 4.350 4.527 -0.000 0.000 0.300 9 F C 1.886 177.663 175.800 -0.040 0.000 1.085 9 F CA 1.608 59.625 58.000 0.028 0.000 1.326 9 F CB 0.048 39.057 39.000 0.015 0.000 1.027 9 F HN 0.200 nan 8.300 nan 0.000 0.497 10 H N -0.294 118.885 119.070 0.181 0.000 2.539 10 H HA 0.160 4.716 4.556 -0.000 0.000 0.267 10 H C 0.123 175.459 175.328 0.014 0.000 0.982 10 H CA 0.267 56.369 56.048 0.091 0.000 1.146 10 H CB 0.156 29.996 29.762 0.130 0.000 1.382 10 H HN 0.235 nan 8.280 nan 0.000 0.577 11 K N 1.051 121.503 120.400 0.086 0.000 2.221 11 K HA 0.154 4.474 4.320 -0.000 0.000 0.243 11 K C 0.207 176.810 176.600 0.005 0.000 0.968 11 K CA -0.896 55.421 56.287 0.050 0.000 0.846 11 K CB 1.392 33.931 32.500 0.066 0.000 1.141 11 K HN 0.016 nan 8.250 nan 0.000 0.434 12 N N 2.293 121.005 118.700 0.021 0.000 2.688 12 N HA -0.183 4.557 4.740 -0.000 0.000 0.258 12 N C -1.344 174.182 175.510 0.028 0.000 1.016 12 N CA 0.561 53.634 53.050 0.039 0.000 0.747 12 N CB -1.106 37.409 38.487 0.046 0.000 0.895 12 N HN 0.592 nan 8.380 nan 0.000 0.543 13 N N 0.952 119.655 118.700 0.005 0.000 2.800 13 N HA 0.136 4.875 4.740 -0.000 0.000 0.240 13 N C -0.154 175.384 175.510 0.047 0.000 1.096 13 N CA -0.391 52.656 53.050 -0.006 0.000 0.877 13 N CB 0.160 38.587 38.487 -0.100 0.000 1.138 13 N HN 0.213 nan 8.380 nan 0.000 0.509 14 F N 4.043 123.982 119.950 -0.019 0.000 2.604 14 F HA -0.019 4.508 4.527 -0.000 0.000 0.390 14 F C -1.469 174.297 175.800 -0.058 0.000 1.053 14 F CA -0.585 57.406 58.000 -0.016 0.000 1.256 14 F CB 0.508 39.529 39.000 0.034 0.000 0.996 14 F HN 0.326 nan 8.300 nan 0.000 0.564 15 P HA 0.314 nan 4.420 nan 0.000 0.280 15 P C 0.323 177.377 177.300 -0.410 0.000 1.244 15 P CA 0.626 63.112 63.100 -1.024 0.000 0.784 15 P CB 1.217 32.394 31.700 -0.872 0.000 0.913 16 G N 4.173 112.799 108.800 -0.289 0.000 2.550 16 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.277 16 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.277 16 G C -0.162 174.712 174.900 -0.044 0.000 1.190 16 G CA -0.129 44.906 45.100 -0.107 0.000 0.971 16 G HN 0.685 nan 8.290 nan 0.000 0.559 17 N N 1.060 119.742 118.700 -0.031 0.000 2.906 17 N HA 0.658 5.398 4.740 -0.000 0.000 0.327 17 N C 0.600 176.105 175.510 -0.009 0.000 1.344 17 N CA 0.876 53.922 53.050 -0.006 0.000 0.823 17 N CB 0.933 39.433 38.487 0.022 0.000 1.351 17 N HN 2.339 nan 8.380 nan 0.000 0.604 18 G N 0.064 108.877 108.800 0.020 0.000 2.698 18 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.225 18 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.225 18 G C -0.419 174.468 174.900 -0.022 0.000 1.345 18 G CA -0.198 44.921 45.100 0.031 0.000 0.871 18 G HN 0.554 nan 8.290 nan 0.000 0.540 19 K N -0.505 119.893 120.400 -0.003 0.000 2.438 19 K HA 0.349 4.668 4.320 -0.000 0.000 0.206 19 K C 0.897 177.501 176.600 0.006 0.000 1.081 19 K CA 0.577 56.851 56.287 -0.022 0.000 1.053 19 K CB 0.703 33.209 32.500 0.010 0.000 0.908 19 K HN 0.696 nan 8.250 nan 0.000 0.556 20 I N -1.986 118.588 120.570 0.008 0.000 2.785 20 I HA 0.520 4.689 4.170 -0.000 0.000 0.302 20 I C -1.144 174.996 176.117 0.039 0.000 1.069 20 I CA -0.863 60.457 61.300 0.033 0.000 1.045 20 I CB 2.276 40.291 38.000 0.026 0.000 1.236 20 I HN -0.136 nan 8.210 nan 0.000 0.429 21 E N 3.566 123.803 120.200 0.062 0.000 2.340 21 E HA 0.626 4.976 4.350 -0.000 0.000 0.273 21 E C -1.968 174.682 176.600 0.084 0.000 0.891 21 E CA -0.841 55.587 56.400 0.047 0.000 0.757 21 E CB 2.982 32.684 29.700 0.002 0.000 1.231 21 E HN 0.590 nan 8.360 nan 0.000 0.439 22 V N 5.524 125.479 119.914 0.068 0.000 2.357 22 V HA 0.408 4.528 4.120 -0.000 0.000 0.284 22 V C 0.111 176.213 176.094 0.012 0.000 1.018 22 V CA -0.510 61.822 62.300 0.054 0.000 0.841 22 V CB 0.604 32.447 31.823 0.032 0.000 0.991 22 V HN 0.554 nan 8.190 nan 0.000 0.437 23 I N 3.306 123.885 120.570 0.015 0.000 2.910 23 I HA 0.858 5.028 4.170 -0.000 0.000 0.310 23 I C -2.499 173.621 176.117 0.004 0.000 1.043 23 I CA -2.409 58.893 61.300 0.003 0.000 1.053 23 I CB 1.799 39.803 38.000 0.006 0.000 1.242 23 I HN 0.347 nan 8.210 nan 0.000 0.452 24 P HA 0.410 nan 4.420 nan 0.000 0.276 24 P C -0.658 176.654 177.300 0.020 0.000 1.244 24 P CA -0.643 62.458 63.100 0.002 0.000 0.801 24 P CB 0.759 32.457 31.700 -0.004 0.000 1.006 25 K N -0.066 120.348 120.400 0.024 0.000 2.374 25 K HA 0.217 4.537 4.320 -0.000 0.000 0.202 25 K C 0.201 176.822 176.600 0.034 0.000 1.040 25 K CA -0.016 56.293 56.287 0.038 0.000 1.085 25 K CB 0.537 33.057 32.500 0.033 0.000 0.873 25 K HN 0.348 nan 8.250 nan 0.000 0.539 26 V N -2.514 117.415 119.914 0.026 0.000 3.046 26 V HA 0.503 4.623 4.120 -0.000 0.000 0.316 26 V C -0.094 176.013 176.094 0.020 0.000 1.104 26 V CA -1.008 61.307 62.300 0.025 0.000 1.006 26 V CB 1.929 33.766 31.823 0.023 0.000 1.058 26 V HN -0.124 nan 8.190 nan 0.000 0.440 27 S N 1.756 117.468 115.700 0.020 0.000 2.565 27 S HA 0.666 5.136 4.470 -0.000 0.000 0.274 27 S C 0.100 174.708 174.600 0.013 0.000 1.309 27 S CA -0.406 57.804 58.200 0.016 0.000 1.043 27 S CB 0.634 63.845 63.200 0.017 0.000 0.939 27 S HN 0.688 nan 8.310 nan 0.000 0.504 28 L N 2.225 123.453 121.223 0.010 0.000 3.393 28 L HA 0.309 4.649 4.340 -0.000 0.000 0.319 28 L C 0.718 177.591 176.870 0.006 0.000 1.309 28 L CA -0.105 54.739 54.840 0.008 0.000 0.962 28 L CB 0.271 42.331 42.059 0.001 0.000 1.391 28 L HN 0.460 nan 8.230 nan 0.000 0.607 29 E N 0.164 120.368 120.200 0.008 0.000 2.364 29 E HA 0.098 4.448 4.350 -0.000 0.000 0.196 29 E C 1.065 177.669 176.600 0.008 0.000 0.990 29 E CA 0.303 56.707 56.400 0.007 0.000 0.886 29 E CB 0.569 30.274 29.700 0.007 0.000 0.866 29 E HN 0.407 nan 8.360 nan 0.000 0.493 30 S N 0.127 115.832 115.700 0.009 0.000 2.672 30 S HA 0.335 4.805 4.470 -0.000 0.000 0.276 30 S C 1.059 175.665 174.600 0.010 0.000 1.207 30 S CA -0.721 57.484 58.200 0.009 0.000 1.002 30 S CB 2.685 65.890 63.200 0.009 0.000 0.998 30 S HN -0.004 nan 8.310 nan 0.000 0.542 31 R N 0.556 121.061 120.500 0.009 0.000 2.081 31 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 31 R C 2.235 178.541 176.300 0.011 0.000 1.131 31 R CA 1.938 58.044 56.100 0.010 0.000 0.960 31 R CB -0.500 29.804 30.300 0.007 0.000 0.856 31 R HN 0.948 nan 8.270 nan 0.000 0.436 32 E N 0.371 120.576 120.200 0.008 0.000 2.077 32 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 32 E C 1.611 178.217 176.600 0.010 0.000 0.989 32 E CA 1.468 57.872 56.400 0.007 0.000 0.800 32 E CB 0.074 29.777 29.700 0.004 0.000 0.746 32 E HN 0.452 nan 8.360 nan 0.000 0.452 33 E N 0.435 120.642 120.200 0.012 0.000 2.118 33 E HA -0.201 4.149 4.350 -0.000 0.000 0.195 33 E C 2.234 178.848 176.600 0.024 0.000 0.992 33 E CA 1.070 57.480 56.400 0.016 0.000 0.804 33 E CB -0.087 29.622 29.700 0.015 0.000 0.741 33 E HN 0.369 nan 8.360 nan 0.000 0.458 34 L N 0.787 122.026 121.223 0.027 0.000 2.201 34 L HA -0.110 4.230 4.340 -0.000 0.000 0.212 34 L C 2.705 179.611 176.870 0.059 0.000 1.105 34 L CA 1.439 56.306 54.840 0.044 0.000 0.775 34 L CB -0.680 41.402 42.059 0.039 0.000 0.913 34 L HN 0.318 nan 8.230 nan 0.000 0.440 35 T N -3.215 111.358 114.554 0.033 0.000 3.085 35 T HA 0.009 4.359 4.350 -0.000 0.000 0.263 35 T C 1.613 176.314 174.700 0.001 0.000 1.127 35 T CA 0.477 62.587 62.100 0.017 0.000 1.103 35 T CB -0.001 68.868 68.868 0.001 0.000 0.921 35 T HN 0.241 nan 8.240 nan 0.000 0.510 36 L N -0.072 121.157 121.223 0.010 0.000 2.362 36 L HA 0.447 4.787 4.340 -0.000 0.000 0.204 36 L C 3.166 180.044 176.870 0.013 0.000 1.060 36 L CA 0.648 55.487 54.840 -0.002 0.000 0.827 36 L CB -0.590 41.469 42.059 -0.000 0.000 1.027 36 L HN 0.276 nan 8.230 nan 0.000 0.474 37 A N -0.960 121.886 122.820 0.043 0.000 1.969 37 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 37 A C 1.141 178.812 177.584 0.147 0.000 1.169 37 A CA 1.505 53.583 52.037 0.069 0.000 0.635 37 A CB -0.196 18.840 19.000 0.059 0.000 0.810 37 A HN 0.376 nan 8.150 nan 0.000 0.445 38 Y N -0.469 119.813 120.300 -0.029 0.000 3.323 38 Y HA 0.412 4.962 4.550 -0.000 0.000 0.285 38 Y C 0.733 176.613 175.900 -0.033 0.000 1.897 38 Y CA -0.479 57.602 58.100 -0.032 0.000 0.959 38 Y CB 0.194 38.638 38.460 -0.028 0.000 1.453 38 Y HN 0.073 nan 8.280 nan 0.000 0.602 39 T N 1.711 115.967 114.554 -0.497 0.000 2.926 39 T HA 0.211 4.561 4.350 -0.000 0.000 0.307 39 T C -2.024 172.608 174.700 -0.113 0.000 1.059 39 T CA -0.960 60.930 62.100 -0.350 0.000 1.122 39 T CB 1.069 69.700 68.868 -0.394 0.000 0.972 39 T HN 0.506 nan 8.240 nan 0.000 0.545 40 P HA 0.182 nan 4.420 nan 0.000 0.257 40 P C 1.634 178.857 177.300 -0.129 0.000 1.241 40 P CA 0.154 63.174 63.100 -0.132 0.000 0.816 40 P CB -0.218 31.429 31.700 -0.088 0.000 1.150 41 G N 1.087 109.826 108.800 -0.102 0.000 2.432 41 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.219 41 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.219 41 G C 1.534 176.363 174.900 -0.118 0.000 1.135 41 G CA 0.498 45.542 45.100 -0.094 0.000 0.767 41 G HN 0.266 nan 8.290 nan 0.000 0.550 42 V N 1.146 120.978 119.914 -0.137 0.000 2.867 42 V HA 0.057 4.177 4.120 -0.000 0.000 0.260 42 V C 2.946 178.947 176.094 -0.155 0.000 1.099 42 V CA 1.980 64.198 62.300 -0.137 0.000 1.122 42 V CB -0.431 31.308 31.823 -0.140 0.000 0.708 42 V HN 0.424 nan 8.190 nan 0.000 0.490 43 A N -0.661 122.061 122.820 -0.164 0.000 2.015 43 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 43 A C 2.064 179.566 177.584 -0.137 0.000 1.163 43 A CA 1.357 53.308 52.037 -0.143 0.000 0.646 43 A CB -0.348 18.572 19.000 -0.133 0.000 0.806 43 A HN 0.587 nan 8.150 nan 0.000 0.448 44 E N 0.062 120.171 120.200 -0.152 0.000 2.031 44 E HA -0.141 4.208 4.350 -0.000 0.000 0.193 44 E C -0.377 176.074 176.600 -0.249 0.000 0.994 44 E CA 1.697 57.992 56.400 -0.175 0.000 0.800 44 E CB -1.612 27.985 29.700 -0.173 0.000 0.752 44 E HN 0.549 nan 8.360 nan 0.000 0.447 45 P HA -0.049 nan 4.420 nan 0.000 0.221 45 P C 1.343 178.527 177.300 -0.194 0.000 1.150 45 P CA 0.903 63.712 63.100 -0.485 0.000 0.800 45 P CB -0.099 31.303 31.700 -0.497 0.000 0.787 46 C N 0.528 119.748 119.300 -0.134 0.000 2.429 46 C HA -0.061 4.399 4.460 -0.000 0.000 0.277 46 C C 2.712 177.666 174.990 -0.060 0.000 1.262 46 C CA 0.946 59.918 59.018 -0.076 0.000 1.733 46 C CB -1.373 26.320 27.740 -0.079 0.000 2.010 46 C HN 0.290 nan 8.230 nan 0.000 0.483 47 K N 0.568 120.921 120.400 -0.078 0.000 2.097 47 K HA -0.128 4.191 4.320 -0.000 0.000 0.206 47 K C 2.015 178.595 176.600 -0.033 0.000 1.049 47 K CA 1.082 57.336 56.287 -0.056 0.000 0.933 47 K CB -0.160 32.301 32.500 -0.065 0.000 0.717 47 K HN 0.485 nan 8.250 nan 0.000 0.442 48 E N 0.925 121.101 120.200 -0.040 0.000 2.072 48 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 48 E C 2.054 178.696 176.600 0.069 0.000 0.985 48 E CA 1.065 57.481 56.400 0.027 0.000 0.801 48 E CB -0.158 29.582 29.700 0.067 0.000 0.750 48 E HN 0.366 nan 8.360 nan 0.000 0.452 49 I N 1.057 121.667 120.570 0.067 0.000 2.394 49 I HA -0.198 3.972 4.170 -0.000 0.000 0.251 49 I C 2.427 178.561 176.117 0.028 0.000 1.136 49 I CA 0.867 62.205 61.300 0.064 0.000 1.425 49 I CB -0.312 37.719 38.000 0.051 0.000 1.079 49 I HN -0.030 nan 8.210 nan 0.000 0.425 50 A N 0.841 123.667 122.820 0.010 0.000 1.972 50 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 50 A C 2.337 179.925 177.584 0.007 0.000 1.169 50 A CA 1.267 53.305 52.037 0.001 0.000 0.635 50 A CB -0.299 18.695 19.000 -0.011 0.000 0.810 50 A HN 0.241 nan 8.150 nan 0.000 0.446 51 R N -0.523 119.985 120.500 0.013 0.000 2.100 51 R HA 0.037 4.377 4.340 -0.000 0.000 0.220 51 R C -0.413 175.900 176.300 0.022 0.000 1.091 51 R CA 0.931 57.040 56.100 0.015 0.000 0.986 51 R CB -0.405 29.905 30.300 0.016 0.000 0.888 51 R HN 0.490 nan 8.270 nan 0.000 0.444 52 D N -0.501 119.920 120.400 0.034 0.000 2.386 52 D HA 0.218 4.857 4.640 -0.000 0.000 0.247 52 D C -2.213 174.114 176.300 0.046 0.000 1.336 52 D CA -2.221 51.801 54.000 0.038 0.000 0.976 52 D CB 1.854 42.678 40.800 0.041 0.000 1.257 52 D HN -0.236 nan 8.370 nan 0.000 0.570 53 P HA -0.017 nan 4.420 nan 0.000 0.219 53 P C 1.395 178.734 177.300 0.065 0.000 1.146 53 P CA 0.966 64.090 63.100 0.040 0.000 0.808 53 P CB 0.308 32.028 31.700 0.033 0.000 0.779 54 G N 0.224 109.073 108.800 0.082 0.000 2.470 54 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 54 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 54 G C 1.457 176.434 174.900 0.130 0.000 1.121 54 G CA 0.442 45.620 45.100 0.131 0.000 0.766 54 G HN 0.206 nan 8.290 nan 0.000 0.553 55 K N 0.489 120.934 120.400 0.074 0.000 2.442 55 K HA 0.050 4.370 4.320 -0.000 0.000 0.198 55 K C 2.303 178.923 176.600 0.034 0.000 1.042 55 K CA 0.204 56.515 56.287 0.040 0.000 0.958 55 K CB -0.394 32.191 32.500 0.142 0.000 0.766 55 K HN 0.296 nan 8.250 nan 0.000 0.474 56 V N 0.503 120.433 119.914 0.026 0.000 2.490 56 V HA -0.258 3.862 4.120 -0.000 0.000 0.250 56 V C 1.486 177.494 176.094 -0.143 0.000 1.061 56 V CA 1.591 63.850 62.300 -0.068 0.000 1.064 56 V CB -0.396 31.320 31.823 -0.178 0.000 0.670 56 V HN 0.225 nan 8.190 nan 0.000 0.461 57 Y N 0.331 120.594 120.300 -0.062 0.000 2.439 57 Y HA -0.064 4.486 4.550 -0.000 0.000 0.292 57 Y C 2.500 178.312 175.900 -0.146 0.000 1.130 57 Y CA 1.657 59.710 58.100 -0.077 0.000 1.254 57 Y CB -0.029 38.392 38.460 -0.065 0.000 1.000 57 Y HN 0.407 nan 8.280 nan 0.000 0.554 58 E N -1.139 118.974 120.200 -0.145 0.000 2.230 58 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 58 E C 0.403 176.693 176.600 -0.517 0.000 0.987 58 E CA 0.827 56.968 56.400 -0.431 0.000 0.841 58 E CB 0.070 29.315 29.700 -0.758 0.000 0.783 58 E HN 0.497 nan 8.360 nan 0.000 0.481 59 Y N -0.265 120.037 120.300 0.003 0.000 2.500 59 Y HA 0.222 4.772 4.550 -0.000 0.000 0.246 59 Y C 0.376 176.257 175.900 -0.033 0.000 1.146 59 Y CA 0.046 58.137 58.100 -0.015 0.000 1.230 59 Y CB 0.824 39.271 38.460 -0.022 0.000 1.214 59 Y HN -0.021 nan 8.280 nan 0.000 0.526 60 T N -4.681 109.904 114.554 0.050 0.000 2.831 60 T HA 0.376 4.726 4.350 -0.000 0.000 0.287 60 T C 0.714 175.397 174.700 -0.029 0.000 1.070 60 T CA -0.622 61.472 62.100 -0.009 0.000 1.010 60 T CB 1.574 70.398 68.868 -0.072 0.000 1.264 60 T HN -0.176 nan 8.240 nan 0.000 0.532 61 S N -0.393 115.276 115.700 -0.051 0.000 2.593 61 S HA 0.122 4.592 4.470 -0.000 0.000 0.217 61 S C 1.694 176.269 174.600 -0.041 0.000 0.966 61 S CA -0.213 57.968 58.200 -0.031 0.000 0.914 61 S CB -0.379 62.799 63.200 -0.037 0.000 0.776 61 S HN 0.753 nan 8.310 nan 0.000 0.523 62 K N 2.005 122.338 120.400 -0.112 0.000 2.089 62 K HA -0.183 4.137 4.320 -0.000 0.000 0.210 62 K C 2.125 178.743 176.600 0.030 0.000 1.048 62 K CA 1.637 57.835 56.287 -0.147 0.000 0.926 62 K CB -0.637 31.636 32.500 -0.379 0.000 0.714 62 K HN 0.436 nan 8.250 nan 0.000 0.448 63 G N 0.206 109.101 108.800 0.157 0.000 2.499 63 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.221 63 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.221 63 G C 1.215 176.259 174.900 0.241 0.000 1.109 63 G CA 1.199 46.514 45.100 0.358 0.000 0.749 63 G HN 0.417 nan 8.290 nan 0.000 0.568 64 N N -1.199 117.602 118.700 0.168 0.000 2.170 64 N HA 0.211 4.951 4.740 -0.000 0.000 0.222 64 N C -0.153 175.431 175.510 0.125 0.000 1.218 64 N CA -0.264 52.881 53.050 0.158 0.000 0.889 64 N CB 0.228 38.800 38.487 0.142 0.000 1.083 64 N HN 0.092 nan 8.380 nan 0.000 0.520 65 L N 0.968 122.264 121.223 0.122 0.000 2.289 65 L HA 0.525 4.864 4.340 -0.000 0.000 0.285 65 L C -0.676 176.319 176.870 0.208 0.000 1.049 65 L CA -0.729 54.198 54.840 0.146 0.000 0.804 65 L CB 1.655 43.764 42.059 0.082 0.000 1.195 65 L HN -0.205 nan 8.230 nan 0.000 0.428 66 V N 2.758 122.725 119.914 0.087 0.000 2.588 66 V HA 0.559 4.679 4.120 -0.000 0.000 0.304 66 V C 0.010 175.917 176.094 -0.311 0.000 1.042 66 V CA -0.707 61.486 62.300 -0.180 0.000 0.877 66 V CB 1.905 33.319 31.823 -0.681 0.000 0.996 66 V HN 0.823 nan 8.190 nan 0.000 0.425 67 A N 4.463 126.896 122.820 -0.646 0.000 2.289 67 A HA 0.691 5.011 4.320 -0.000 0.000 0.298 67 A C -0.384 176.906 177.584 -0.489 0.000 1.208 67 A CA -0.348 51.162 52.037 -0.878 0.000 0.845 67 A CB 0.769 18.806 19.000 -1.605 0.000 1.125 67 A HN 0.716 nan 8.150 nan 0.000 0.517 68 V N 4.685 124.401 119.914 -0.330 0.000 2.334 68 V HA 0.241 4.360 4.120 -0.000 0.000 0.267 68 V C -0.108 175.901 176.094 -0.141 0.000 1.040 68 V CA -0.200 61.980 62.300 -0.200 0.000 0.866 68 V CB 0.738 32.489 31.823 -0.120 0.000 1.019 68 V HN 0.593 nan 8.190 nan 0.000 0.468 69 V N 4.436 124.293 119.914 -0.096 0.000 2.435 69 V HA 0.719 4.839 4.120 -0.000 0.000 0.290 69 V C 0.101 176.236 176.094 0.068 0.000 1.030 69 V CA -0.068 62.211 62.300 -0.035 0.000 0.881 69 V CB 1.736 33.523 31.823 -0.061 0.000 0.983 69 V HN 0.826 nan 8.190 nan 0.000 0.445 70 S N 1.795 117.549 115.700 0.091 0.000 2.537 70 S HA 0.433 4.903 4.470 -0.000 0.000 0.270 70 S C -0.275 174.409 174.600 0.141 0.000 1.142 70 S CA -0.450 57.809 58.200 0.098 0.000 0.870 70 S CB 1.999 65.216 63.200 0.029 0.000 1.112 70 S HN 0.926 nan 8.310 nan 0.000 0.466 71 D N 1.459 121.921 120.400 0.102 0.000 2.363 71 D HA 0.213 4.853 4.640 -0.000 0.000 0.214 71 D C 1.204 177.519 176.300 0.024 0.000 1.093 71 D CA 0.583 54.644 54.000 0.101 0.000 0.837 71 D CB -0.336 40.500 40.800 0.060 0.000 0.948 71 D HN 1.180 nan 8.370 nan 0.000 0.507 72 G N 1.108 109.911 108.800 0.005 0.000 2.198 72 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.260 72 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.260 72 G C 1.019 175.909 174.900 -0.017 0.000 1.025 72 G CA 0.908 46.006 45.100 -0.004 0.000 0.769 72 G HN 0.620 nan 8.290 nan 0.000 0.507 73 S N -1.383 114.292 115.700 -0.042 0.000 2.522 73 S HA 0.195 4.665 4.470 -0.000 0.000 0.227 73 S C 1.173 175.753 174.600 -0.033 0.000 0.986 73 S CA 1.115 59.288 58.200 -0.046 0.000 0.929 73 S CB 0.338 63.488 63.200 -0.083 0.000 0.769 73 S HN 0.806 nan 8.310 nan 0.000 0.529 74 R N 0.734 121.218 120.500 -0.027 0.000 2.672 74 R HA 0.312 4.652 4.340 -0.000 0.000 0.228 74 R C -1.408 174.892 176.300 0.000 0.000 1.501 74 R CA -0.372 55.722 56.100 -0.010 0.000 1.514 74 R CB -0.016 30.277 30.300 -0.012 0.000 1.489 74 R HN 0.188 nan 8.270 nan 0.000 0.747 75 I N 4.748 125.318 120.570 0.001 0.000 2.505 75 I HA 0.036 4.205 4.170 -0.000 0.000 0.287 75 I C 1.580 177.702 176.117 0.009 0.000 1.104 75 I CA 0.533 61.836 61.300 0.005 0.000 1.387 75 I CB -0.316 37.685 38.000 0.002 0.000 1.404 75 I HN 0.660 nan 8.210 nan 0.000 0.528 76 L N 5.484 126.714 121.223 0.012 0.000 5.518 76 L HA -0.323 4.016 4.340 -0.000 0.000 0.053 76 L C 1.424 178.307 176.870 0.021 0.000 2.611 76 L CA 1.562 56.412 54.840 0.016 0.000 1.669 76 L CB -1.572 40.495 42.059 0.014 0.000 2.768 76 L HN 0.741 nan 8.230 nan 0.000 0.930 77 G N -0.919 107.893 108.800 0.021 0.000 3.690 77 G HA2 0.503 4.463 3.960 -0.000 0.000 0.283 77 G HA3 0.503 4.463 3.960 -0.000 0.000 0.283 77 G C 0.811 175.723 174.900 0.020 0.000 1.057 77 G CA -0.107 45.008 45.100 0.025 0.000 0.821 77 G HN 0.310 nan 8.290 nan 0.000 0.526 78 L N 0.041 121.272 121.223 0.014 0.000 2.567 78 L HA 0.311 4.651 4.340 -0.000 0.000 0.225 78 L C 1.712 178.588 176.870 0.010 0.000 1.119 78 L CA 0.420 55.266 54.840 0.010 0.000 0.871 78 L CB -0.293 41.768 42.059 0.004 0.000 1.036 78 L HN 0.356 nan 8.230 nan 0.000 0.459 79 G N 1.044 109.851 108.800 0.011 0.000 2.553 79 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.242 79 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.242 79 G C -0.081 174.821 174.900 0.003 0.000 1.277 79 G CA -0.242 44.864 45.100 0.009 0.000 0.910 79 G HN 0.246 nan 8.290 nan 0.000 0.576 80 N N 1.808 120.509 118.700 0.001 0.000 2.605 80 N HA 0.270 5.010 4.740 -0.000 0.000 0.258 80 N C 1.569 177.079 175.510 -0.000 0.000 1.156 80 N CA 0.393 53.441 53.050 -0.003 0.000 1.008 80 N CB -0.445 38.039 38.487 -0.004 0.000 1.354 80 N HN 0.787 nan 8.380 nan 0.000 0.509 81 I N -0.665 119.905 120.570 -0.000 0.000 3.968 81 I HA 0.424 4.594 4.170 -0.000 0.000 0.328 81 I C 0.845 176.963 176.117 0.002 0.000 1.290 81 I CA -0.316 60.985 61.300 0.001 0.000 1.163 81 I CB -0.035 37.965 38.000 -0.001 0.000 1.024 81 I HN 0.315 nan 8.210 nan 0.000 0.413 82 G N 2.545 111.346 108.800 0.003 0.000 2.663 82 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.686 82 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.686 82 G C -2.219 172.687 174.900 0.010 0.000 1.288 82 G CA -0.238 44.867 45.100 0.008 0.000 0.836 82 G HN 0.061 nan 8.290 nan 0.000 0.584 83 P HA -0.057 nan 4.420 nan 0.000 0.217 83 P C 2.168 179.474 177.300 0.009 0.000 1.150 83 P CA 1.244 64.356 63.100 0.019 0.000 0.832 83 P CB 0.200 31.918 31.700 0.030 0.000 0.787 84 L N -0.278 120.949 121.223 0.008 0.000 2.023 84 L HA -0.065 4.275 4.340 -0.000 0.000 0.205 84 L C 2.785 179.654 176.870 -0.002 0.000 1.073 84 L CA 1.610 56.452 54.840 0.004 0.000 0.745 84 L CB -1.142 40.921 42.059 0.005 0.000 0.900 84 L HN -0.076 nan 8.230 nan 0.000 0.435 85 A N -0.218 122.601 122.820 -0.002 0.000 2.121 85 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 85 A C 2.140 179.719 177.584 -0.010 0.000 1.154 85 A CA 1.477 53.509 52.037 -0.008 0.000 0.679 85 A CB -0.831 18.166 19.000 -0.006 0.000 0.795 85 A HN 0.486 nan 8.150 nan 0.000 0.458 86 G N -1.019 107.778 108.800 -0.005 0.000 2.939 86 G HA2 0.156 4.116 3.960 -0.000 0.000 0.210 86 G HA3 0.156 4.116 3.960 -0.000 0.000 0.210 86 G C 1.229 176.126 174.900 -0.006 0.000 1.160 86 G CA 0.604 45.702 45.100 -0.004 0.000 0.770 86 G HN 0.387 nan 8.290 nan 0.000 0.543 87 L N 1.660 122.877 121.223 -0.009 0.000 2.042 87 L HA 0.042 4.382 4.340 -0.000 0.000 0.210 87 L C -0.065 176.805 176.870 0.000 0.000 1.076 87 L CA 1.902 56.732 54.840 -0.016 0.000 0.749 87 L CB -0.897 41.150 42.059 -0.019 0.000 0.893 87 L HN 0.044 nan 8.230 nan 0.000 0.432 88 P HA -0.130 nan 4.420 nan 0.000 0.216 88 P C 2.076 179.425 177.300 0.080 0.000 1.150 88 P CA 1.290 64.425 63.100 0.058 0.000 0.837 88 P CB 0.014 31.699 31.700 -0.025 0.000 0.786 89 V N -1.089 118.848 119.914 0.038 0.000 2.358 89 V HA -0.226 3.893 4.120 -0.000 0.000 0.246 89 V C 2.241 178.356 176.094 0.034 0.000 1.047 89 V CA 1.654 63.979 62.300 0.040 0.000 1.035 89 V CB -1.006 30.828 31.823 0.018 0.000 0.658 89 V HN 0.098 nan 8.190 nan 0.000 0.452 90 M N -0.742 118.864 119.600 0.010 0.000 2.254 90 M HA -0.059 4.421 4.480 -0.000 0.000 0.265 90 M C 2.062 178.355 176.300 -0.011 0.000 1.066 90 M CA 1.148 56.442 55.300 -0.011 0.000 1.123 90 M CB -1.176 31.398 32.600 -0.044 0.000 1.388 90 M HN 0.420 nan 8.290 nan 0.000 0.425 91 E N -0.079 120.119 120.200 -0.003 0.000 2.106 91 E HA -0.097 4.253 4.350 -0.000 0.000 0.192 91 E C 2.112 178.755 176.600 0.071 0.000 0.984 91 E CA 1.099 57.501 56.400 0.003 0.000 0.806 91 E CB -0.222 29.492 29.700 0.024 0.000 0.750 91 E HN 0.596 nan 8.360 nan 0.000 0.458 92 G N 1.484 110.346 108.800 0.103 0.000 2.402 92 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.216 92 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.216 92 G C 1.641 176.621 174.900 0.133 0.000 1.162 92 G CA 0.916 46.095 45.100 0.131 0.000 0.777 92 G HN 0.071 nan 8.290 nan 0.000 0.539 93 K N 0.919 121.379 120.400 0.100 0.000 2.057 93 K HA 0.127 4.447 4.320 -0.000 0.000 0.207 93 K C 2.711 179.466 176.600 0.258 0.000 1.049 93 K CA 1.436 57.784 56.287 0.102 0.000 0.931 93 K CB -0.530 31.978 32.500 0.013 0.000 0.714 93 K HN 0.180 nan 8.250 nan 0.000 0.440 94 A N 0.707 123.650 122.820 0.205 0.000 1.877 94 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 94 A C 2.021 179.763 177.584 0.264 0.000 1.186 94 A CA 1.921 54.096 52.037 0.230 0.000 0.620 94 A CB -0.860 18.184 19.000 0.074 0.000 0.822 94 A HN 0.399 nan 8.150 nan 0.000 0.443 95 L N -1.746 119.595 121.223 0.197 0.000 2.201 95 L HA 0.018 4.358 4.340 -0.000 0.000 0.212 95 L C 2.014 178.993 176.870 0.182 0.000 1.105 95 L CA 1.356 56.302 54.840 0.177 0.000 0.775 95 L CB -0.921 41.227 42.059 0.147 0.000 0.913 95 L HN 0.260 nan 8.230 nan 0.000 0.440 96 L N -1.732 119.648 121.223 0.261 0.000 2.109 96 L HA -0.070 4.270 4.340 -0.000 0.000 0.207 96 L C 2.492 179.535 176.870 0.288 0.000 1.086 96 L CA 0.972 56.008 54.840 0.327 0.000 0.760 96 L CB -0.524 41.757 42.059 0.370 0.000 0.910 96 L HN 0.179 nan 8.230 nan 0.000 0.437 97 F N 0.818 120.941 119.950 0.288 0.000 2.102 97 F HA -0.253 4.274 4.527 -0.000 0.000 0.298 97 F C 2.656 178.496 175.800 0.067 0.000 1.105 97 F CA 1.723 59.848 58.000 0.208 0.000 1.239 97 F CB -0.218 38.873 39.000 0.152 0.000 0.991 97 F HN -0.066 nan 8.300 nan 0.000 0.474 98 K N 0.442 121.000 120.400 0.262 0.000 2.025 98 K HA -0.170 4.149 4.320 -0.000 0.000 0.207 98 K C 2.203 178.758 176.600 -0.075 0.000 1.049 98 K CA 1.280 57.656 56.287 0.147 0.000 0.933 98 K CB -0.250 32.372 32.500 0.204 0.000 0.714 98 K HN -0.078 nan 8.250 nan 0.000 0.438 99 R N -0.585 119.723 120.500 -0.319 0.000 2.081 99 R HA -0.009 4.331 4.340 -0.000 0.000 0.235 99 R C 1.749 177.491 176.300 -0.929 0.000 1.131 99 R CA 1.813 57.347 56.100 -0.944 0.000 0.960 99 R CB -0.594 29.084 30.300 -1.036 0.000 0.856 99 R HN 0.293 nan 8.270 nan 0.000 0.436 100 F N -2.061 117.630 119.950 -0.432 0.000 2.582 100 F HA 0.366 4.893 4.527 -0.000 0.000 0.290 100 F C 2.029 177.404 175.800 -0.708 0.000 1.115 100 F CA 0.879 58.472 58.000 -0.677 0.000 1.445 100 F CB 0.152 38.586 39.000 -0.943 0.000 1.126 100 F HN 0.222 nan 8.300 nan 0.000 0.574 101 G N -1.478 107.174 108.800 -0.246 0.000 3.192 101 G HA2 0.363 4.323 3.960 -0.000 0.000 0.239 101 G HA3 0.363 4.323 3.960 -0.000 0.000 0.239 101 G C 1.360 176.257 174.900 -0.005 0.000 1.084 101 G CA 0.208 45.245 45.100 -0.104 0.000 0.784 101 G HN 0.481 nan 8.290 nan 0.000 0.540 102 G N -0.360 108.434 108.800 -0.009 0.000 2.168 102 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.257 102 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.257 102 G C 0.203 175.163 174.900 0.100 0.000 0.997 102 G CA 0.358 45.484 45.100 0.044 0.000 0.708 102 G HN 0.757 nan 8.290 nan 0.000 0.520 103 V N 1.035 121.043 119.914 0.156 0.000 2.465 103 V HA 0.273 4.393 4.120 -0.000 0.000 0.279 103 V C 0.290 176.469 176.094 0.142 0.000 1.045 103 V CA -0.759 61.641 62.300 0.167 0.000 0.938 103 V CB 1.644 33.609 31.823 0.236 0.000 0.986 103 V HN 0.264 nan 8.190 nan 0.000 0.467 104 D N 4.758 125.225 120.400 0.111 0.000 2.455 104 D HA 0.338 4.978 4.640 -0.000 0.000 0.234 104 D C 0.287 176.640 176.300 0.088 0.000 1.224 104 D CA 0.288 54.359 54.000 0.119 0.000 0.999 104 D CB 1.203 42.070 40.800 0.111 0.000 1.072 104 D HN 0.675 nan 8.370 nan 0.000 0.514 105 A N 2.483 125.341 122.820 0.063 0.000 2.304 105 A HA 0.575 4.895 4.320 -0.000 0.000 0.301 105 A C -0.781 176.891 177.584 0.147 0.000 1.132 105 A CA -0.480 51.535 52.037 -0.037 0.000 0.819 105 A CB 0.778 19.668 19.000 -0.183 0.000 1.094 105 A HN 0.424 nan 8.150 nan 0.000 0.492 106 F N 3.466 123.397 119.950 -0.031 0.000 2.569 106 F HA 0.609 5.136 4.527 -0.000 0.000 0.312 106 F C -2.503 173.274 175.800 -0.038 0.000 1.109 106 F CA -2.180 55.841 58.000 0.035 0.000 0.919 106 F CB 2.852 41.952 39.000 0.166 0.000 1.211 106 F HN 0.371 nan 8.300 nan 0.000 0.446 107 P HA 0.264 nan 4.420 nan 0.000 0.281 107 P C -0.992 176.161 177.300 -0.245 0.000 1.252 107 P CA -0.130 62.754 63.100 -0.360 0.000 0.778 107 P CB 1.464 32.958 31.700 -0.343 0.000 0.895 108 I N 5.126 125.636 120.570 -0.101 0.000 2.437 108 I HA 0.267 4.437 4.170 -0.000 0.000 0.279 108 I C 0.313 176.414 176.117 -0.027 0.000 1.028 108 I CA -0.840 60.451 61.300 -0.015 0.000 1.142 108 I CB 1.163 39.144 38.000 -0.032 0.000 1.266 108 I HN 0.235 nan 8.210 nan 0.000 0.461 109 M N 6.923 126.518 119.600 -0.008 0.000 2.146 109 M HA 0.446 4.926 4.480 -0.000 0.000 0.357 109 M C -0.083 176.236 176.300 0.031 0.000 1.261 109 M CA -0.270 55.038 55.300 0.013 0.000 1.106 109 M CB 1.003 33.606 32.600 0.005 0.000 1.612 109 M HN 0.269 nan 8.290 nan 0.000 0.470 110 I N 3.132 123.742 120.570 0.066 0.000 2.339 110 I HA 0.259 4.429 4.170 -0.000 0.000 0.290 110 I C 0.764 176.941 176.117 0.101 0.000 0.994 110 I CA -0.461 60.882 61.300 0.071 0.000 1.191 110 I CB 1.355 39.392 38.000 0.061 0.000 1.343 110 I HN 0.617 nan 8.210 nan 0.000 0.458 111 K N 5.877 126.317 120.400 0.067 0.000 2.518 111 K HA 0.213 4.533 4.320 -0.000 0.000 0.244 111 K C -0.652 175.993 176.600 0.074 0.000 1.232 111 K CA 0.076 56.401 56.287 0.062 0.000 1.189 111 K CB 0.114 32.638 32.500 0.040 0.000 1.737 111 K HN 0.502 nan 8.250 nan 0.000 0.333 112 E N 1.194 121.465 120.200 0.119 0.000 2.428 112 E HA 0.058 4.408 4.350 -0.000 0.000 0.307 112 E C -0.655 176.052 176.600 0.179 0.000 0.902 112 E CA -0.173 56.307 56.400 0.135 0.000 0.799 112 E CB 1.047 30.829 29.700 0.137 0.000 1.351 112 E HN 0.339 nan 8.360 nan 0.000 0.392 113 Q N 2.082 121.939 119.800 0.095 0.000 2.319 113 Q HA 0.130 4.470 4.340 -0.000 0.000 0.209 113 Q C -0.001 176.015 176.000 0.026 0.000 0.884 113 Q CA -0.077 55.746 55.803 0.033 0.000 0.938 113 Q CB 0.779 29.519 28.738 0.003 0.000 1.098 113 Q HN 0.449 nan 8.270 nan 0.000 0.517 114 E N 3.127 123.371 120.200 0.074 0.000 2.257 114 E HA 0.020 4.370 4.350 -0.000 0.000 0.278 114 E C -1.720 174.956 176.600 0.127 0.000 1.049 114 E CA -1.939 54.507 56.400 0.078 0.000 0.876 114 E CB 1.229 30.975 29.700 0.077 0.000 1.035 114 E HN -0.018 nan 8.360 nan 0.000 0.419 115 P HA -0.210 nan 4.420 nan 0.000 0.215 115 P C 0.772 178.233 177.300 0.267 0.000 1.157 115 P CA 1.248 64.463 63.100 0.193 0.000 0.874 115 P CB 0.326 32.184 31.700 0.262 0.000 0.790 116 N N 0.280 119.132 118.700 0.253 0.000 2.120 116 N HA -0.116 4.624 4.740 -0.000 0.000 0.188 116 N C 1.783 177.381 175.510 0.145 0.000 1.024 116 N CA 1.238 54.413 53.050 0.209 0.000 0.852 116 N CB -0.429 38.167 38.487 0.181 0.000 1.003 116 N HN 0.330 nan 8.380 nan 0.000 0.424 117 K N 0.000 120.484 120.400 0.138 0.000 2.097 117 K HA -0.064 4.256 4.320 -0.000 0.000 0.205 117 K C 1.909 178.575 176.600 0.111 0.000 1.050 117 K CA 0.557 56.906 56.287 0.102 0.000 0.938 117 K CB -0.227 32.327 32.500 0.091 0.000 0.718 117 K HN 0.078 nan 8.250 nan 0.000 0.442 118 F N 1.922 121.881 119.950 0.016 0.000 2.102 118 F HA -0.196 4.331 4.527 -0.000 0.000 0.298 118 F C 1.866 177.656 175.800 -0.017 0.000 1.105 118 F CA 1.361 59.359 58.000 -0.004 0.000 1.239 118 F CB -0.130 38.864 39.000 -0.010 0.000 0.991 118 F HN -0.116 nan 8.300 nan 0.000 0.474 119 I N 0.357 121.030 120.570 0.171 0.000 2.163 119 I HA -0.340 3.830 4.170 -0.000 0.000 0.243 119 I C 1.979 178.063 176.117 -0.056 0.000 1.085 119 I CA 1.681 63.002 61.300 0.036 0.000 1.347 119 I CB -0.610 37.407 38.000 0.028 0.000 1.044 119 I HN 0.131 nan 8.210 nan 0.000 0.408 120 D N 0.750 121.135 120.400 -0.024 0.000 2.178 120 D HA -0.126 4.514 4.640 -0.000 0.000 0.201 120 D C 2.229 178.488 176.300 -0.069 0.000 0.980 120 D CA 1.289 55.270 54.000 -0.032 0.000 0.842 120 D CB -0.138 40.661 40.800 -0.002 0.000 0.948 120 D HN 0.370 nan 8.370 nan 0.000 0.472 121 I N 0.283 120.780 120.570 -0.121 0.000 2.252 121 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 121 I C 2.385 178.391 176.117 -0.186 0.000 1.102 121 I CA 0.502 61.711 61.300 -0.150 0.000 1.385 121 I CB -0.074 37.808 38.000 -0.196 0.000 1.064 121 I HN -0.125 nan 8.210 nan 0.000 0.414 122 V N 1.006 120.745 119.914 -0.293 0.000 2.343 122 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 122 V C 2.394 178.427 176.094 -0.102 0.000 1.051 122 V CA 1.875 64.028 62.300 -0.244 0.000 1.036 122 V CB -0.719 30.927 31.823 -0.296 0.000 0.654 122 V HN 0.389 nan 8.190 nan 0.000 0.451 123 K N 0.402 120.756 120.400 -0.078 0.000 2.097 123 K HA -0.117 4.203 4.320 -0.000 0.000 0.206 123 K C 2.249 178.841 176.600 -0.014 0.000 1.049 123 K CA 1.490 57.760 56.287 -0.029 0.000 0.933 123 K CB -0.426 32.060 32.500 -0.023 0.000 0.717 123 K HN 0.481 nan 8.250 nan 0.000 0.442 124 A N 1.604 124.409 122.820 -0.026 0.000 2.015 124 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 124 A C 1.972 179.560 177.584 0.006 0.000 1.163 124 A CA 1.130 53.159 52.037 -0.012 0.000 0.646 124 A CB -0.613 18.375 19.000 -0.020 0.000 0.806 124 A HN 0.481 nan 8.150 nan 0.000 0.448 125 I N -4.604 115.977 120.570 0.019 0.000 3.928 125 I HA 0.452 4.622 4.170 -0.000 0.000 0.335 125 I C 1.717 177.946 176.117 0.187 0.000 1.325 125 I CA 0.571 61.923 61.300 0.087 0.000 1.107 125 I CB 0.089 38.152 38.000 0.106 0.000 1.014 125 I HN 0.076 nan 8.210 nan 0.000 0.400 126 A N 2.278 125.174 122.820 0.127 0.000 2.015 126 A HA 0.089 4.409 4.320 -0.000 0.000 0.219 126 A C 0.119 177.780 177.584 0.128 0.000 1.163 126 A CA 1.021 53.164 52.037 0.176 0.000 0.646 126 A CB -1.568 17.489 19.000 0.096 0.000 0.806 126 A HN 0.373 nan 8.150 nan 0.000 0.448 127 P HA -0.158 nan 4.420 nan 0.000 0.216 127 P C 1.425 178.636 177.300 -0.148 0.000 1.154 127 P CA 1.890 64.960 63.100 -0.050 0.000 0.865 127 P CB -0.175 31.491 31.700 -0.057 0.000 0.789 128 T N -1.738 112.660 114.554 -0.260 0.000 2.951 128 T HA 0.008 4.358 4.350 -0.000 0.000 0.268 128 T C 0.451 174.779 174.700 -0.621 0.000 1.073 128 T CA 0.810 62.590 62.100 -0.535 0.000 1.134 128 T CB -0.485 67.871 68.868 -0.853 0.000 0.884 128 T HN -0.073 nan 8.240 nan 0.000 0.479 129 F N -0.157 119.754 119.950 -0.065 0.000 2.399 129 F HA 0.577 5.104 4.527 -0.000 0.000 0.328 129 F C 1.448 177.249 175.800 0.001 0.000 1.084 129 F CA -1.244 56.734 58.000 -0.036 0.000 1.053 129 F CB 0.956 39.943 39.000 -0.022 0.000 1.209 129 F HN -0.106 nan 8.300 nan 0.000 0.502 130 G N 0.136 109.088 108.800 0.252 0.000 2.986 130 G HA2 0.462 4.422 3.960 -0.000 0.000 0.213 130 G HA3 0.462 4.422 3.960 -0.000 0.000 0.213 130 G C 0.238 175.314 174.900 0.292 0.000 1.156 130 G CA 0.363 45.628 45.100 0.274 0.000 0.763 130 G HN 1.004 nan 8.290 nan 0.000 0.547 131 G N -0.470 108.494 108.800 0.273 0.000 2.601 131 G HA2 0.464 4.424 3.960 -0.000 0.000 0.291 131 G HA3 0.464 4.424 3.960 -0.000 0.000 0.291 131 G C -1.875 173.113 174.900 0.145 0.000 1.456 131 G CA -0.641 44.645 45.100 0.311 0.000 0.804 131 G HN -0.010 nan 8.290 nan 0.000 0.499 132 I N 1.166 121.865 120.570 0.215 0.000 2.466 132 I HA 0.359 4.529 4.170 -0.000 0.000 0.289 132 I C -0.805 175.432 176.117 0.199 0.000 1.026 132 I CA -1.005 60.323 61.300 0.048 0.000 1.078 132 I CB 1.682 39.711 38.000 0.049 0.000 1.249 132 I HN 0.578 nan 8.210 nan 0.000 0.429 133 N N 6.901 125.599 118.700 -0.004 0.000 2.511 133 N HA 0.457 5.197 4.740 -0.000 0.000 0.249 133 N C -1.032 174.565 175.510 0.146 0.000 0.971 133 N CA -0.410 52.761 53.050 0.202 0.000 0.938 133 N CB 0.858 39.380 38.487 0.059 0.000 1.131 133 N HN 0.481 nan 8.380 nan 0.000 0.505 134 L N 1.628 122.971 121.223 0.201 0.000 2.426 134 L HA 0.368 4.708 4.340 -0.000 0.000 0.271 134 L C 0.311 177.282 176.870 0.168 0.000 1.169 134 L CA -0.047 54.843 54.840 0.084 0.000 0.836 134 L CB 0.748 42.754 42.059 -0.089 0.000 1.112 134 L HN 0.582 nan 8.230 nan 0.000 0.465 135 E N 1.268 121.514 120.200 0.076 0.000 2.331 135 E HA 0.229 4.579 4.350 -0.000 0.000 0.275 135 E C -1.315 175.326 176.600 0.069 0.000 0.895 135 E CA -0.560 55.915 56.400 0.125 0.000 0.753 135 E CB 1.238 30.972 29.700 0.056 0.000 1.216 135 E HN 0.467 nan 8.360 nan 0.000 0.434 136 D N 2.281 122.756 120.400 0.124 0.000 2.735 136 D HA -0.199 4.440 4.640 -0.000 0.000 0.235 136 D C -0.695 175.598 176.300 -0.011 0.000 1.175 136 D CA 1.114 55.149 54.000 0.058 0.000 0.683 136 D CB -1.097 39.716 40.800 0.021 0.000 1.008 136 D HN 0.399 nan 8.370 nan 0.000 0.416 137 I N 0.021 120.563 120.570 -0.047 0.000 2.404 137 I HA 0.473 4.643 4.170 -0.000 0.000 0.293 137 I C 1.016 177.054 176.117 -0.131 0.000 0.992 137 I CA -1.043 60.139 61.300 -0.197 0.000 1.149 137 I CB 1.656 39.394 38.000 -0.437 0.000 1.315 137 I HN 0.139 nan 8.210 nan 0.000 0.446 138 A N 4.580 127.325 122.820 -0.124 0.000 2.507 138 A HA 0.273 4.593 4.320 -0.000 0.000 0.235 138 A C 0.280 177.807 177.584 -0.094 0.000 1.070 138 A CA 0.131 52.121 52.037 -0.078 0.000 0.768 138 A CB 0.424 19.392 19.000 -0.053 0.000 1.011 138 A HN 0.682 nan 8.150 nan 0.000 0.502 139 S N 0.790 116.460 115.700 -0.050 0.000 2.617 139 S HA 0.593 5.063 4.470 -0.000 0.000 0.283 139 S C -1.319 173.334 174.600 0.088 0.000 1.189 139 S CA -1.032 57.154 58.200 -0.024 0.000 1.036 139 S CB 0.845 64.070 63.200 0.042 0.000 1.014 139 S HN 0.619 nan 8.310 nan 0.000 0.522 140 P HA 0.134 nan 4.420 nan 0.000 0.261 140 P C 0.691 178.208 177.300 0.362 0.000 1.268 140 P CA 0.058 63.396 63.100 0.396 0.000 0.833 140 P CB 0.000 31.992 31.700 0.487 0.000 1.231 141 K N 0.628 121.128 120.400 0.166 0.000 2.280 141 K HA -0.141 4.179 4.320 -0.000 0.000 0.202 141 K C 1.918 178.483 176.600 -0.058 0.000 1.047 141 K CA 1.675 58.020 56.287 0.098 0.000 0.942 141 K CB -1.403 31.112 32.500 0.025 0.000 0.739 141 K HN 0.238 nan 8.250 nan 0.000 0.457 142 C N -0.153 119.025 119.300 -0.204 0.000 2.419 142 C HA 0.023 4.483 4.460 -0.000 0.000 0.281 142 C C 2.187 177.023 174.990 -0.255 0.000 1.336 142 C CA -0.216 58.606 59.018 -0.326 0.000 1.770 142 C CB -1.396 26.128 27.740 -0.361 0.000 1.929 142 C HN 0.345 nan 8.230 nan 0.000 0.509 143 F N 0.284 120.252 119.950 0.029 0.000 2.128 143 F HA 0.048 4.575 4.527 -0.000 0.000 0.295 143 F C 2.599 178.314 175.800 -0.142 0.000 1.100 143 F CA 1.691 59.705 58.000 0.023 0.000 1.260 143 F CB -1.425 37.643 39.000 0.112 0.000 1.009 143 F HN 0.218 nan 8.300 nan 0.000 0.476 144 Y N 0.884 120.947 120.300 -0.396 0.000 2.145 144 Y HA -0.197 4.353 4.550 -0.000 0.000 0.286 144 Y C 2.205 177.974 175.900 -0.219 0.000 1.145 144 Y CA 1.275 59.034 58.100 -0.568 0.000 1.148 144 Y CB -0.707 37.238 38.460 -0.858 0.000 0.981 144 Y HN 0.032 nan 8.280 nan 0.000 0.507 145 I N -0.658 119.771 120.570 -0.235 0.000 2.142 145 I HA -0.292 3.878 4.170 -0.000 0.000 0.240 145 I C 2.349 178.373 176.117 -0.154 0.000 1.078 145 I CA 1.399 62.564 61.300 -0.225 0.000 1.343 145 I CB -0.567 37.350 38.000 -0.138 0.000 1.046 145 I HN 0.313 nan 8.210 nan 0.000 0.405 146 L N 0.883 122.050 121.223 -0.092 0.000 1.994 146 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 146 L C 2.487 179.349 176.870 -0.013 0.000 1.071 146 L CA 1.974 56.805 54.840 -0.015 0.000 0.745 146 L CB -0.773 41.319 42.059 0.053 0.000 0.892 146 L HN 0.145 nan 8.230 nan 0.000 0.431 147 E N -0.100 120.089 120.200 -0.018 0.000 2.118 147 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 147 E C 2.391 178.944 176.600 -0.078 0.000 0.992 147 E CA 1.163 57.552 56.400 -0.019 0.000 0.804 147 E CB -0.295 29.411 29.700 0.010 0.000 0.741 147 E HN 0.547 nan 8.360 nan 0.000 0.458 148 R N 0.106 120.498 120.500 -0.180 0.000 2.062 148 R HA 0.039 4.379 4.340 -0.000 0.000 0.229 148 R C 2.646 178.885 176.300 -0.102 0.000 1.128 148 R CA 0.666 56.653 56.100 -0.188 0.000 0.960 148 R CB -0.322 29.759 30.300 -0.365 0.000 0.855 148 R HN 0.154 nan 8.270 nan 0.000 0.432 149 L N 0.283 121.457 121.223 -0.082 0.000 2.131 149 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 149 L C 2.430 179.305 176.870 0.008 0.000 1.092 149 L CA 1.241 56.067 54.840 -0.024 0.000 0.759 149 L CB -0.311 41.750 42.059 0.005 0.000 0.903 149 L HN 0.158 nan 8.230 nan 0.000 0.435 150 R N -0.259 120.249 120.500 0.013 0.000 2.159 150 R HA -0.188 4.152 4.340 -0.000 0.000 0.237 150 R C 1.540 177.853 176.300 0.023 0.000 1.131 150 R CA 1.109 57.230 56.100 0.035 0.000 0.982 150 R CB -0.046 30.277 30.300 0.039 0.000 0.868 150 R HN 0.161 nan 8.270 nan 0.000 0.453 151 E N -0.337 119.865 120.200 0.003 0.000 2.583 151 E HA 0.041 4.391 4.350 -0.000 0.000 0.213 151 E C 0.199 176.800 176.600 0.001 0.000 0.989 151 E CA 0.184 56.585 56.400 0.002 0.000 0.991 151 E CB 0.666 30.361 29.700 -0.008 0.000 1.040 151 E HN 0.204 nan 8.360 nan 0.000 0.481 152 E N -0.606 119.594 120.200 -0.001 0.000 2.562 152 E HA 0.241 4.591 4.350 -0.000 0.000 0.214 152 E C -0.202 176.405 176.600 0.012 0.000 0.979 152 E CA -0.040 56.359 56.400 -0.000 0.000 1.002 152 E CB 1.067 30.757 29.700 -0.017 0.000 1.048 152 E HN 0.132 nan 8.360 nan 0.000 0.488 153 L N 1.384 122.622 121.223 0.025 0.000 2.322 153 L HA 0.280 4.620 4.340 -0.000 0.000 0.269 153 L C 0.498 177.400 176.870 0.053 0.000 1.012 153 L CA -0.621 54.244 54.840 0.042 0.000 0.815 153 L CB 1.309 43.402 42.059 0.056 0.000 1.295 153 L HN 0.010 nan 8.230 nan 0.000 0.438 154 D N 1.459 121.899 120.400 0.066 0.000 2.424 154 D HA 0.151 4.790 4.640 -0.000 0.000 0.220 154 D C -0.144 176.222 176.300 0.110 0.000 1.150 154 D CA 0.041 54.087 54.000 0.077 0.000 0.831 154 D CB 0.221 41.065 40.800 0.075 0.000 0.981 154 D HN 0.424 nan 8.370 nan 0.000 0.500 155 I N -3.814 116.827 120.570 0.118 0.000 2.865 155 I HA 0.556 4.726 4.170 -0.000 0.000 0.302 155 I C -2.949 173.253 176.117 0.141 0.000 1.140 155 I CA -2.868 58.525 61.300 0.154 0.000 1.021 155 I CB 2.463 40.577 38.000 0.190 0.000 1.233 155 I HN -0.396 nan 8.210 nan 0.000 0.427 156 P HA 0.077 nan 4.420 nan 0.000 0.271 156 P C -0.767 176.663 177.300 0.216 0.000 1.216 156 P CA 0.050 63.230 63.100 0.132 0.000 0.771 156 P CB 2.026 33.759 31.700 0.055 0.000 0.864 157 V N 4.946 124.982 119.914 0.203 0.000 2.769 157 V HA 0.734 4.854 4.120 -0.000 0.000 0.312 157 V C -1.445 174.878 176.094 0.381 0.000 1.061 157 V CA -0.812 61.658 62.300 0.283 0.000 0.931 157 V CB 1.643 33.574 31.823 0.180 0.000 1.010 157 V HN 0.473 nan 8.190 nan 0.000 0.433 158 F N 4.265 124.382 119.950 0.277 0.000 2.631 158 F HA 0.547 5.074 4.527 -0.000 0.000 0.308 158 F C -0.866 175.132 175.800 0.330 0.000 1.097 158 F CA -0.589 57.577 58.000 0.277 0.000 0.952 158 F CB 1.847 41.066 39.000 0.365 0.000 1.307 158 F HN 0.695 nan 8.300 nan 0.000 0.450 159 H N 3.811 122.758 119.070 -0.205 0.000 2.887 159 H HA 0.199 4.755 4.556 -0.000 0.000 0.300 159 H C -0.084 175.062 175.328 -0.304 0.000 1.038 159 H CA -0.445 55.522 56.048 -0.134 0.000 1.352 159 H CB 1.222 30.899 29.762 -0.140 0.000 1.473 159 H HN 0.840 nan 8.280 nan 0.000 0.503 160 D N 3.221 123.632 120.400 0.018 0.000 2.133 160 D HA -0.199 4.441 4.640 -0.000 0.000 0.195 160 D C 0.986 177.135 176.300 -0.251 0.000 0.997 160 D CA 2.047 56.039 54.000 -0.013 0.000 0.840 160 D CB 0.336 41.224 40.800 0.147 0.000 0.947 160 D HN 0.742 nan 8.370 nan 0.000 0.452 161 D N -0.680 119.451 120.400 -0.447 0.000 2.190 161 D HA -0.164 4.476 4.640 -0.000 0.000 0.200 161 D C 2.006 178.014 176.300 -0.487 0.000 0.992 161 D CA 0.945 54.682 54.000 -0.438 0.000 0.854 161 D CB 0.055 40.598 40.800 -0.428 0.000 0.936 161 D HN 0.415 nan 8.370 nan 0.000 0.462 162 Q N -0.185 119.203 119.800 -0.687 0.000 2.019 162 Q HA 0.019 4.359 4.340 -0.000 0.000 0.195 162 Q C 2.257 178.080 176.000 -0.295 0.000 0.981 162 Q CA 0.525 56.088 55.803 -0.400 0.000 0.832 162 Q CB -0.025 28.535 28.738 -0.297 0.000 0.902 162 Q HN 0.242 nan 8.270 nan 0.000 0.461 163 Q N 0.060 119.607 119.800 -0.423 0.000 2.119 163 Q HA -0.072 4.268 4.340 -0.000 0.000 0.201 163 Q C 2.016 177.946 176.000 -0.116 0.000 0.972 163 Q CA 1.192 56.761 55.803 -0.390 0.000 0.847 163 Q CB -0.184 28.044 28.738 -0.850 0.000 0.903 163 Q HN 0.443 nan 8.270 nan 0.000 0.433 164 G N 0.385 109.154 108.800 -0.051 0.000 2.404 164 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.215 164 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.215 164 G C 1.401 176.397 174.900 0.160 0.000 1.174 164 G CA 1.233 46.532 45.100 0.332 0.000 0.780 164 G HN 0.238 nan 8.290 nan 0.000 0.537 165 T N 1.847 116.422 114.554 0.036 0.000 2.684 165 T HA -0.078 4.272 4.350 -0.000 0.000 0.267 165 T C 2.816 177.546 174.700 0.051 0.000 1.036 165 T CA 1.739 63.851 62.100 0.020 0.000 1.148 165 T CB -0.461 68.333 68.868 -0.123 0.000 0.863 165 T HN 0.371 nan 8.240 nan 0.000 0.436 166 A N 1.439 124.260 122.820 0.003 0.000 1.908 166 A HA 0.085 4.405 4.320 -0.000 0.000 0.218 166 A C 2.653 180.289 177.584 0.086 0.000 1.181 166 A CA 2.004 54.062 52.037 0.035 0.000 0.627 166 A CB -1.159 17.837 19.000 -0.006 0.000 0.818 166 A HN 0.526 nan 8.150 nan 0.000 0.445 167 A N -0.620 122.266 122.820 0.110 0.000 1.877 167 A HA -0.027 4.293 4.320 -0.000 0.000 0.216 167 A C 2.214 179.859 177.584 0.102 0.000 1.186 167 A CA 1.942 54.051 52.037 0.121 0.000 0.620 167 A CB -0.947 18.157 19.000 0.173 0.000 0.822 167 A HN 0.461 nan 8.150 nan 0.000 0.443 168 V N -0.506 119.472 119.914 0.106 0.000 2.548 168 V HA -0.164 3.955 4.120 -0.000 0.000 0.249 168 V C 2.505 178.666 176.094 0.113 0.000 1.055 168 V CA 1.632 63.981 62.300 0.083 0.000 1.065 168 V CB -0.567 31.296 31.823 0.067 0.000 0.681 168 V HN 0.352 nan 8.190 nan 0.000 0.462 169 V N -0.071 119.943 119.914 0.167 0.000 2.358 169 V HA -0.211 3.908 4.120 -0.000 0.000 0.246 169 V C 2.377 178.614 176.094 0.238 0.000 1.047 169 V CA 1.964 64.422 62.300 0.263 0.000 1.035 169 V CB -0.499 31.527 31.823 0.340 0.000 0.658 169 V HN 0.520 nan 8.190 nan 0.000 0.452 170 L N 0.997 122.310 121.223 0.150 0.000 2.046 170 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 170 L C 2.446 179.376 176.870 0.098 0.000 1.077 170 L CA 2.331 57.234 54.840 0.104 0.000 0.747 170 L CB -1.042 41.060 42.059 0.071 0.000 0.896 170 L HN 0.216 nan 8.230 nan 0.000 0.432 171 A N -0.389 122.484 122.820 0.090 0.000 1.883 171 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 171 A C 2.359 179.995 177.584 0.086 0.000 1.186 171 A CA 1.805 53.880 52.037 0.063 0.000 0.624 171 A CB -1.659 17.361 19.000 0.033 0.000 0.822 171 A HN 0.531 nan 8.150 nan 0.000 0.444 172 G N -0.498 108.381 108.800 0.132 0.000 2.418 172 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.217 172 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.217 172 G C 1.486 176.572 174.900 0.310 0.000 1.158 172 G CA 1.173 46.383 45.100 0.183 0.000 0.771 172 G HN 0.504 nan 8.290 nan 0.000 0.545 173 L N 0.499 121.905 121.223 0.304 0.000 2.083 173 L HA 0.115 4.455 4.340 -0.000 0.000 0.209 173 L C 2.669 179.568 176.870 0.049 0.000 1.083 173 L CA 1.282 56.182 54.840 0.099 0.000 0.752 173 L CB -0.437 41.604 42.059 -0.030 0.000 0.899 173 L HN 0.206 nan 8.230 nan 0.000 0.433 174 L N -0.384 120.872 121.223 0.056 0.000 2.042 174 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 174 L C 2.246 179.135 176.870 0.032 0.000 1.076 174 L CA 1.363 56.221 54.840 0.031 0.000 0.749 174 L CB -0.740 41.337 42.059 0.029 0.000 0.893 174 L HN 0.369 nan 8.230 nan 0.000 0.432 175 N N -0.154 118.576 118.700 0.049 0.000 2.270 175 N HA -0.066 4.674 4.740 -0.000 0.000 0.181 175 N C 1.834 177.372 175.510 0.047 0.000 1.016 175 N CA 1.249 54.323 53.050 0.040 0.000 0.870 175 N CB -0.173 38.337 38.487 0.037 0.000 0.979 175 N HN 0.285 nan 8.380 nan 0.000 0.431 176 A N 1.178 124.044 122.820 0.078 0.000 1.902 176 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 176 A C 2.310 179.907 177.584 0.021 0.000 1.181 176 A CA 0.882 52.963 52.037 0.074 0.000 0.623 176 A CB -0.713 18.363 19.000 0.126 0.000 0.818 176 A HN 0.205 nan 8.150 nan 0.000 0.443 177 L N -0.694 120.530 121.223 0.001 0.000 2.083 177 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 177 L C 2.626 179.494 176.870 -0.004 0.000 1.083 177 L CA 1.895 56.726 54.840 -0.015 0.000 0.752 177 L CB -0.428 41.617 42.059 -0.023 0.000 0.899 177 L HN 0.470 nan 8.230 nan 0.000 0.433 178 K N 0.158 120.560 120.400 0.004 0.000 2.063 178 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 178 K C 1.993 178.596 176.600 0.004 0.000 1.048 178 K CA 1.431 57.721 56.287 0.004 0.000 0.928 178 K CB 0.019 32.524 32.500 0.008 0.000 0.713 178 K HN 0.075 nan 8.250 nan 0.000 0.442 179 V N 1.075 120.995 119.914 0.009 0.000 2.295 179 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 179 V C 2.203 178.299 176.094 0.003 0.000 1.049 179 V CA 1.852 64.156 62.300 0.008 0.000 1.024 179 V CB -0.142 31.690 31.823 0.015 0.000 0.648 179 V HN 0.445 nan 8.190 nan 0.000 0.447 180 V N -1.286 118.628 119.914 0.000 0.000 3.573 180 V HA 0.452 4.572 4.120 -0.000 0.000 0.270 180 V C 1.408 177.498 176.094 -0.007 0.000 1.221 180 V CA 0.599 62.896 62.300 -0.005 0.000 1.163 180 V CB -0.807 31.010 31.823 -0.010 0.000 0.847 180 V HN 0.815 nan 8.190 nan 0.000 0.468 181 G N 0.582 109.378 108.800 -0.006 0.000 2.298 181 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.287 181 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.287 181 G C -0.103 174.791 174.900 -0.010 0.000 1.075 181 G CA 0.614 45.710 45.100 -0.007 0.000 0.960 181 G HN 0.690 nan 8.290 nan 0.000 0.502 182 K N -0.410 119.982 120.400 -0.013 0.000 2.318 182 K HA 0.496 4.816 4.320 -0.000 0.000 0.249 182 K C 0.127 176.717 176.600 -0.017 0.000 0.942 182 K CA -0.953 55.323 56.287 -0.017 0.000 0.808 182 K CB 1.933 34.418 32.500 -0.025 0.000 1.189 182 K HN 0.155 nan 8.250 nan 0.000 0.428 183 K N 1.975 122.365 120.400 -0.017 0.000 2.172 183 K HA 0.223 4.543 4.320 -0.000 0.000 0.276 183 K C 0.996 177.583 176.600 -0.021 0.000 1.013 183 K CA -0.251 56.026 56.287 -0.015 0.000 0.913 183 K CB 1.301 33.794 32.500 -0.012 0.000 1.055 183 K HN 0.566 nan 8.250 nan 0.000 0.461 184 I N 2.018 122.576 120.570 -0.020 0.000 2.423 184 I HA -0.293 3.877 4.170 -0.000 0.000 0.254 184 I C 1.772 177.874 176.117 -0.024 0.000 1.151 184 I CA 1.666 62.950 61.300 -0.026 0.000 1.421 184 I CB 0.156 38.145 38.000 -0.020 0.000 1.079 184 I HN 0.684 nan 8.210 nan 0.000 0.431 185 S N -1.003 114.686 115.700 -0.018 0.000 2.593 185 S HA 0.057 4.526 4.470 -0.000 0.000 0.217 185 S C 1.291 175.881 174.600 -0.017 0.000 0.966 185 S CA 0.138 58.329 58.200 -0.016 0.000 0.914 185 S CB -0.129 63.065 63.200 -0.010 0.000 0.776 185 S HN 0.594 nan 8.310 nan 0.000 0.523 186 E N 0.962 121.151 120.200 -0.020 0.000 2.511 186 E HA 0.295 4.645 4.350 -0.000 0.000 0.209 186 E C 0.575 177.160 176.600 -0.024 0.000 0.986 186 E CA -0.231 56.157 56.400 -0.019 0.000 0.974 186 E CB 0.419 30.109 29.700 -0.016 0.000 1.030 186 E HN 0.761 nan 8.360 nan 0.000 0.490 187 I N -0.535 120.017 120.570 -0.031 0.000 2.662 187 I HA 0.254 4.424 4.170 -0.000 0.000 0.291 187 I C -0.103 175.992 176.117 -0.038 0.000 1.046 187 I CA -0.324 60.953 61.300 -0.037 0.000 1.361 187 I CB 1.114 39.083 38.000 -0.051 0.000 1.429 187 I HN -0.329 nan 8.210 nan 0.000 0.558 188 T N 6.487 121.018 114.554 -0.038 0.000 2.771 188 T HA 0.527 4.877 4.350 -0.000 0.000 0.281 188 T C -0.531 174.145 174.700 -0.040 0.000 0.982 188 T CA -0.322 61.758 62.100 -0.034 0.000 0.978 188 T CB 1.156 70.007 68.868 -0.027 0.000 0.930 188 T HN 0.481 nan 8.240 nan 0.000 0.447 189 L N 3.608 124.808 121.223 -0.039 0.000 2.329 189 L HA 0.830 5.170 4.340 -0.000 0.000 0.279 189 L C -0.492 176.374 176.870 -0.006 0.000 1.014 189 L CA -0.629 54.189 54.840 -0.038 0.000 0.814 189 L CB 1.112 43.141 42.059 -0.050 0.000 1.257 189 L HN 0.671 nan 8.230 nan 0.000 0.424 190 A N 5.478 128.316 122.820 0.030 0.000 2.256 190 A HA 0.626 4.945 4.320 -0.000 0.000 0.317 190 A C -1.246 176.464 177.584 0.211 0.000 1.318 190 A CA -0.424 51.693 52.037 0.134 0.000 0.894 190 A CB 0.444 19.581 19.000 0.227 0.000 1.165 190 A HN 0.706 nan 8.150 nan 0.000 0.525 191 L N 3.634 124.966 121.223 0.181 0.000 2.294 191 L HA 0.693 5.033 4.340 -0.000 0.000 0.283 191 L C -1.632 175.405 176.870 0.279 0.000 1.015 191 L CA -0.381 54.586 54.840 0.211 0.000 0.831 191 L CB 0.391 42.500 42.059 0.085 0.000 1.217 191 L HN 0.495 nan 8.230 nan 0.000 0.420 192 F N 4.706 124.655 119.950 -0.002 0.000 2.350 192 F HA 0.730 5.257 4.527 -0.000 0.000 0.365 192 F C 0.991 176.831 175.800 0.067 0.000 1.122 192 F CA -0.625 57.379 58.000 0.008 0.000 1.139 192 F CB 0.881 39.884 39.000 0.005 0.000 1.220 192 F HN 0.684 nan 8.300 nan 0.000 0.499 193 G N 1.971 110.859 108.800 0.146 0.000 3.233 193 G HA2 0.364 4.324 3.960 -0.000 0.000 0.686 193 G HA3 0.364 4.324 3.960 -0.000 0.000 0.686 193 G C -0.520 174.440 174.900 0.100 0.000 1.153 193 G CA -0.559 44.627 45.100 0.144 0.000 0.853 193 G HN 1.113 nan 8.290 nan 0.000 0.582 194 A N 1.520 124.341 122.820 0.001 0.000 2.705 194 A HA 0.809 5.129 4.320 -0.000 0.000 0.294 194 A C 1.276 178.915 177.584 0.092 0.000 1.039 194 A CA 1.106 53.136 52.037 -0.011 0.000 1.005 194 A CB -0.087 18.747 19.000 -0.276 0.000 1.192 194 A HN 2.125 nan 8.150 nan 0.000 0.513 195 G N -1.196 107.706 108.800 0.169 0.000 2.531 195 G HA2 0.449 4.409 3.960 -0.000 0.000 0.253 195 G HA3 0.449 4.409 3.960 -0.000 0.000 0.253 195 G C 1.328 176.461 174.900 0.388 0.000 1.439 195 G CA 0.248 45.506 45.100 0.263 0.000 1.056 195 G HN 0.679 nan 8.290 nan 0.000 0.555 196 A N -0.564 122.390 122.820 0.223 0.000 1.884 196 A HA 0.014 4.334 4.320 -0.000 0.000 0.219 196 A C 2.734 180.313 177.584 -0.008 0.000 1.197 196 A CA 3.321 55.383 52.037 0.042 0.000 0.637 196 A CB -1.125 17.783 19.000 -0.154 0.000 0.827 196 A HN 1.290 nan 8.150 nan 0.000 0.450 197 A N -1.036 121.669 122.820 -0.192 0.000 1.872 197 A HA 0.240 4.560 4.320 -0.000 0.000 0.214 197 A C 2.477 179.704 177.584 -0.595 0.000 1.187 197 A CA 1.795 53.498 52.037 -0.557 0.000 0.614 197 A CB -1.441 16.972 19.000 -0.979 0.000 0.826 197 A HN 0.795 nan 8.150 nan 0.000 0.442 198 G N -1.190 107.423 108.800 -0.311 0.000 2.446 198 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 198 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 198 G C 1.494 176.426 174.900 0.053 0.000 1.168 198 G CA 1.246 46.359 45.100 0.021 0.000 0.771 198 G HN 0.446 nan 8.290 nan 0.000 0.551 199 F N 2.294 122.233 119.950 -0.019 0.000 2.146 199 F HA 0.183 4.710 4.527 -0.000 0.000 0.298 199 F C 2.803 178.596 175.800 -0.012 0.000 1.096 199 F CA 1.115 59.078 58.000 -0.062 0.000 1.275 199 F CB -0.274 38.634 39.000 -0.153 0.000 1.008 199 F HN 0.224 nan 8.300 nan 0.000 0.480 200 A N -0.598 122.276 122.820 0.091 0.000 1.940 200 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 200 A C 2.197 179.707 177.584 -0.123 0.000 1.176 200 A CA 2.330 54.365 52.037 -0.004 0.000 0.631 200 A CB -1.424 17.587 19.000 0.018 0.000 0.814 200 A HN 0.425 nan 8.150 nan 0.000 0.446 201 T N -0.037 114.446 114.554 -0.118 0.000 2.777 201 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 201 T C 1.836 176.477 174.700 -0.099 0.000 1.040 201 T CA 1.468 63.536 62.100 -0.054 0.000 1.141 201 T CB -0.363 68.543 68.868 0.064 0.000 0.868 201 T HN 0.334 nan 8.240 nan 0.000 0.444 202 L N 1.525 122.633 121.223 -0.191 0.000 2.042 202 L HA -0.023 4.317 4.340 -0.000 0.000 0.210 202 L C 2.495 179.168 176.870 -0.328 0.000 1.076 202 L CA 1.823 56.505 54.840 -0.264 0.000 0.749 202 L CB -0.561 41.277 42.059 -0.369 0.000 0.893 202 L HN 0.091 nan 8.230 nan 0.000 0.432 203 R N -0.650 119.569 120.500 -0.468 0.000 2.073 203 R HA -0.162 4.178 4.340 -0.000 0.000 0.234 203 R C 2.162 178.399 176.300 -0.106 0.000 1.134 203 R CA 1.925 57.837 56.100 -0.314 0.000 0.952 203 R CB -0.214 29.921 30.300 -0.275 0.000 0.850 203 R HN 0.372 nan 8.270 nan 0.000 0.433 204 I N 0.922 121.446 120.570 -0.078 0.000 2.252 204 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 204 I C 2.211 178.318 176.117 -0.016 0.000 1.102 204 I CA 0.926 62.216 61.300 -0.016 0.000 1.385 204 I CB -0.937 37.067 38.000 0.007 0.000 1.064 204 I HN 0.230 nan 8.210 nan 0.000 0.414 205 L N 0.639 121.842 121.223 -0.034 0.000 2.046 205 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 205 L C 2.795 179.644 176.870 -0.034 0.000 1.077 205 L CA 2.303 57.127 54.840 -0.027 0.000 0.747 205 L CB -1.334 40.706 42.059 -0.033 0.000 0.896 205 L HN 0.388 nan 8.230 nan 0.000 0.432 206 T N -3.960 110.560 114.554 -0.056 0.000 2.821 206 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 206 T C 1.671 176.364 174.700 -0.011 0.000 1.046 206 T CA 1.217 63.290 62.100 -0.044 0.000 1.139 206 T CB -0.385 68.440 68.868 -0.072 0.000 0.871 206 T HN 0.364 nan 8.240 nan 0.000 0.454 207 E N 1.193 121.394 120.200 0.002 0.000 2.427 207 E HA 0.236 4.586 4.350 -0.000 0.000 0.196 207 E C 2.145 178.755 176.600 0.018 0.000 1.028 207 E CA 0.498 56.913 56.400 0.024 0.000 0.864 207 E CB -0.127 29.599 29.700 0.042 0.000 0.813 207 E HN 0.698 nan 8.360 nan 0.000 0.514 208 A N -0.167 122.659 122.820 0.009 0.000 2.218 208 A HA 0.299 4.619 4.320 -0.000 0.000 0.209 208 A C 1.618 179.204 177.584 0.003 0.000 1.168 208 A CA 0.881 52.924 52.037 0.010 0.000 0.804 208 A CB 0.242 19.248 19.000 0.011 0.000 0.834 208 A HN 0.334 nan 8.150 nan 0.000 0.482 209 G N -2.006 106.793 108.800 -0.001 0.000 2.813 209 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.194 209 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.194 209 G C 0.097 174.989 174.900 -0.013 0.000 1.010 209 G CA -0.054 45.043 45.100 -0.005 0.000 0.771 209 G HN 0.523 nan 8.290 nan 0.000 0.485 210 V N 2.667 122.568 119.914 -0.021 0.000 2.585 210 V HA 0.241 4.360 4.120 -0.000 0.000 0.296 210 V C 0.767 176.842 176.094 -0.030 0.000 1.035 210 V CA 0.240 62.522 62.300 -0.031 0.000 1.084 210 V CB 1.133 32.930 31.823 -0.042 0.000 0.953 210 V HN 0.289 nan 8.190 nan 0.000 0.483 211 K N 6.791 127.174 120.400 -0.028 0.000 2.349 211 K HA 0.179 4.499 4.320 -0.000 0.000 0.288 211 K C -1.664 174.914 176.600 -0.037 0.000 1.058 211 K CA -1.318 54.954 56.287 -0.026 0.000 0.953 211 K CB 0.987 33.475 32.500 -0.021 0.000 0.997 211 K HN 0.383 nan 8.250 nan 0.000 0.477 212 P HA -0.284 nan 4.420 nan 0.000 0.216 212 P C 1.037 178.306 177.300 -0.052 0.000 1.153 212 P CA 1.310 64.375 63.100 -0.059 0.000 0.858 212 P CB 0.184 31.850 31.700 -0.057 0.000 0.789 213 E N -0.190 119.988 120.200 -0.037 0.000 2.204 213 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 213 E C 0.914 177.493 176.600 -0.035 0.000 0.990 213 E CA 1.291 57.672 56.400 -0.033 0.000 0.821 213 E CB -1.524 28.163 29.700 -0.023 0.000 0.750 213 E HN 0.436 nan 8.360 nan 0.000 0.477 214 N N 0.695 119.374 118.700 -0.035 0.000 2.434 214 N HA 0.074 4.814 4.740 -0.000 0.000 0.196 214 N C -0.717 174.769 175.510 -0.040 0.000 1.183 214 N CA -0.235 52.794 53.050 -0.034 0.000 0.849 214 N CB 0.729 39.197 38.487 -0.031 0.000 0.992 214 N HN -0.057 nan 8.380 nan 0.000 0.460 215 V N 1.519 121.405 119.914 -0.048 0.000 2.384 215 V HA 0.329 4.449 4.120 -0.000 0.000 0.287 215 V C -0.127 175.932 176.094 -0.058 0.000 1.020 215 V CA -0.765 61.504 62.300 -0.052 0.000 0.850 215 V CB 1.537 33.321 31.823 -0.065 0.000 0.987 215 V HN 0.095 nan 8.190 nan 0.000 0.436 216 R N 3.418 123.887 120.500 -0.051 0.000 2.204 216 R HA 0.536 4.875 4.340 -0.000 0.000 0.341 216 R C -0.766 175.476 176.300 -0.097 0.000 1.035 216 R CA -0.246 55.809 56.100 -0.074 0.000 0.887 216 R CB 1.264 31.524 30.300 -0.067 0.000 1.114 216 R HN 0.537 nan 8.270 nan 0.000 0.473 217 V N 4.384 124.222 119.914 -0.125 0.000 2.406 217 V HA 0.287 4.407 4.120 -0.000 0.000 0.272 217 V C -0.020 175.931 176.094 -0.239 0.000 1.043 217 V CA -0.720 61.486 62.300 -0.157 0.000 0.915 217 V CB 1.596 33.326 31.823 -0.154 0.000 0.988 217 V HN 0.395 nan 8.190 nan 0.000 0.466 218 V N 4.728 124.432 119.914 -0.351 0.000 2.398 218 V HA 0.653 4.773 4.120 -0.000 0.000 0.286 218 V C -0.132 175.776 176.094 -0.310 0.000 1.026 218 V CA -0.278 61.737 62.300 -0.475 0.000 0.868 218 V CB 1.559 32.741 31.823 -1.068 0.000 0.982 218 V HN 1.000 nan 8.190 nan 0.000 0.443 219 E N 3.542 123.620 120.200 -0.204 0.000 2.449 219 E HA 0.534 4.884 4.350 -0.000 0.000 0.278 219 E C -1.346 175.260 176.600 0.010 0.000 0.992 219 E CA -0.746 55.595 56.400 -0.098 0.000 0.807 219 E CB 1.683 31.262 29.700 -0.201 0.000 1.350 219 E HN 0.516 nan 8.360 nan 0.000 0.462 220 L N 2.010 123.287 121.223 0.090 0.000 2.369 220 L HA 0.358 4.697 4.340 -0.000 0.000 0.279 220 L C -0.602 176.340 176.870 0.120 0.000 1.108 220 L CA -0.611 54.284 54.840 0.091 0.000 0.852 220 L CB 0.387 42.502 42.059 0.093 0.000 1.169 220 L HN 0.238 nan 8.230 nan 0.000 0.452 221 V N 4.299 124.250 119.914 0.061 0.000 2.350 221 V HA 0.274 4.394 4.120 -0.000 0.000 0.285 221 V C 0.367 176.462 176.094 0.002 0.000 1.014 221 V CA -0.663 61.657 62.300 0.033 0.000 0.831 221 V CB 1.185 33.024 31.823 0.027 0.000 1.000 221 V HN 0.902 nan 8.190 nan 0.000 0.433 222 N N 4.042 122.732 118.700 -0.016 0.000 2.741 222 N HA -0.235 4.505 4.740 -0.000 0.000 0.251 222 N C 1.174 176.682 175.510 -0.004 0.000 1.112 222 N CA 1.556 54.596 53.050 -0.018 0.000 0.750 222 N CB -1.047 37.429 38.487 -0.019 0.000 1.119 222 N HN 1.478 nan 8.380 nan 0.000 0.561 223 G N -1.032 107.773 108.800 0.008 0.000 2.234 223 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.235 223 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.235 223 G C -0.073 174.840 174.900 0.023 0.000 0.997 223 G CA 0.603 45.714 45.100 0.018 0.000 0.623 223 G HN 0.444 nan 8.290 nan 0.000 0.514 224 K N 1.121 121.529 120.400 0.014 0.000 2.182 224 K HA 0.507 4.827 4.320 -0.000 0.000 0.262 224 K C -2.902 173.695 176.600 -0.005 0.000 0.957 224 K CA -2.100 54.193 56.287 0.009 0.000 0.842 224 K CB 2.206 34.706 32.500 0.000 0.000 1.099 224 K HN -0.071 nan 8.250 nan 0.000 0.438 225 P HA 0.097 nan 4.420 nan 0.000 0.269 225 P C -0.970 176.257 177.300 -0.121 0.000 1.252 225 P CA 0.056 63.115 63.100 -0.069 0.000 0.780 225 P CB 0.583 32.244 31.700 -0.066 0.000 0.829 226 R N 3.141 123.569 120.500 -0.120 0.000 2.795 226 R HA 0.499 4.839 4.340 -0.000 0.000 0.275 226 R C -0.041 176.163 176.300 -0.159 0.000 0.981 226 R CA -1.167 54.856 56.100 -0.129 0.000 0.917 226 R CB 1.460 31.719 30.300 -0.069 0.000 1.202 226 R HN 0.403 nan 8.270 nan 0.000 0.469 227 I N 3.227 123.698 120.570 -0.166 0.000 2.517 227 I HA 0.073 4.243 4.170 -0.000 0.000 0.285 227 I C 0.688 176.743 176.117 -0.103 0.000 1.106 227 I CA -0.120 61.081 61.300 -0.165 0.000 1.402 227 I CB 0.283 38.193 38.000 -0.149 0.000 1.399 227 I HN 0.192 nan 8.210 nan 0.000 0.535 228 L N 6.742 127.906 121.223 -0.098 0.000 2.453 228 L HA 0.191 4.531 4.340 -0.000 0.000 0.272 228 L C 0.581 177.425 176.870 -0.042 0.000 1.182 228 L CA 0.030 54.843 54.840 -0.046 0.000 0.858 228 L CB 0.299 42.325 42.059 -0.055 0.000 1.120 228 L HN 0.674 nan 8.230 nan 0.000 0.474 229 T N -2.479 112.063 114.554 -0.019 0.000 2.908 229 T HA 0.231 4.581 4.350 -0.000 0.000 0.290 229 T C 0.847 175.541 174.700 -0.010 0.000 1.034 229 T CA -0.326 61.761 62.100 -0.022 0.000 1.010 229 T CB 1.763 70.616 68.868 -0.024 0.000 1.068 229 T HN 0.599 nan 8.240 nan 0.000 0.481 230 S N 0.373 116.065 115.700 -0.013 0.000 2.500 230 S HA -0.151 4.318 4.470 -0.000 0.000 0.239 230 S C 1.351 175.948 174.600 -0.004 0.000 0.989 230 S CA 0.993 59.188 58.200 -0.007 0.000 0.951 230 S CB -0.653 62.542 63.200 -0.008 0.000 0.759 230 S HN 0.888 nan 8.310 nan 0.000 0.523 231 D N 1.126 121.521 120.400 -0.008 0.000 2.323 231 D HA 0.033 4.673 4.640 -0.000 0.000 0.209 231 D C 0.770 177.064 176.300 -0.011 0.000 0.973 231 D CA 0.012 54.006 54.000 -0.009 0.000 0.874 231 D CB -0.263 40.530 40.800 -0.012 0.000 0.930 231 D HN 0.406 nan 8.370 nan 0.000 0.521 232 L N 0.837 122.055 121.223 -0.008 0.000 2.466 232 L HA 0.129 4.469 4.340 -0.000 0.000 0.257 232 L C 0.663 177.522 176.870 -0.018 0.000 1.189 232 L CA -0.545 54.287 54.840 -0.014 0.000 0.813 232 L CB 0.551 42.609 42.059 -0.000 0.000 1.118 232 L HN -0.196 nan 8.230 nan 0.000 0.471 233 D N 1.437 121.811 120.400 -0.042 0.000 2.619 233 D HA 0.134 4.773 4.640 -0.000 0.000 0.224 233 D C 1.184 177.443 176.300 -0.068 0.000 1.133 233 D CA 0.082 54.051 54.000 -0.053 0.000 1.017 233 D CB 0.267 41.024 40.800 -0.072 0.000 1.077 233 D HN 0.394 nan 8.370 nan 0.000 0.503 234 L N 1.148 122.364 121.223 -0.012 0.000 2.043 234 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 234 L C 2.218 179.091 176.870 0.005 0.000 1.075 234 L CA 1.166 56.038 54.840 0.054 0.000 0.752 234 L CB -0.255 41.860 42.059 0.093 0.000 0.891 234 L HN 0.269 nan 8.230 nan 0.000 0.432 235 E N 0.659 120.841 120.200 -0.031 0.000 2.150 235 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 235 E C 2.091 178.604 176.600 -0.146 0.000 0.985 235 E CA 1.348 57.707 56.400 -0.067 0.000 0.814 235 E CB -0.007 29.671 29.700 -0.037 0.000 0.752 235 E HN 0.278 nan 8.360 nan 0.000 0.466 236 K N -0.249 120.058 120.400 -0.155 0.000 2.062 236 K HA -0.028 4.292 4.320 -0.000 0.000 0.205 236 K C 2.039 178.465 176.600 -0.289 0.000 1.051 236 K CA 1.142 57.314 56.287 -0.191 0.000 0.941 236 K CB -0.087 32.321 32.500 -0.153 0.000 0.719 236 K HN 0.201 nan 8.250 nan 0.000 0.440 237 L N -0.091 120.880 121.223 -0.420 0.000 2.217 237 L HA -0.009 4.331 4.340 -0.000 0.000 0.211 237 L C 0.140 176.340 176.870 -1.117 0.000 1.107 237 L CA 0.527 54.880 54.840 -0.812 0.000 0.783 237 L CB 0.122 41.531 42.059 -1.083 0.000 0.919 237 L HN 0.064 nan 8.230 nan 0.000 0.442 238 F N -0.786 119.078 119.950 -0.144 0.000 2.809 238 F HA 0.387 4.913 4.527 -0.000 0.000 0.369 238 F C -2.415 173.225 175.800 -0.266 0.000 1.225 238 F CA -2.964 54.925 58.000 -0.184 0.000 1.201 238 F CB 0.045 38.925 39.000 -0.200 0.000 1.527 238 F HN -0.315 nan 8.300 nan 0.000 0.565 239 P HA -0.059 nan 4.420 nan 0.000 0.261 239 P C -0.470 176.553 177.300 -0.461 0.000 1.173 239 P CA 0.915 63.716 63.100 -0.498 0.000 0.760 239 P CB 0.086 31.383 31.700 -0.672 0.000 0.783 240 Y N 0.862 121.143 120.300 -0.032 0.000 4.907 240 Y HA -0.260 4.290 4.550 -0.000 0.000 0.246 240 Y C 1.221 177.012 175.900 -0.182 0.000 0.968 240 Y CA 0.894 58.987 58.100 -0.013 0.000 1.961 240 Y CB -2.406 36.096 38.460 0.071 0.000 1.487 240 Y HN 0.479 nan 8.280 nan 0.000 0.575 241 R N -0.739 119.583 120.500 -0.297 0.000 2.509 241 R HA 0.346 4.686 4.340 -0.000 0.000 0.297 241 R C 2.203 178.288 176.300 -0.360 0.000 0.951 241 R CA 0.453 56.109 56.100 -0.740 0.000 1.103 241 R CB 0.195 29.683 30.300 -1.353 0.000 1.283 241 R HN 0.319 nan 8.270 nan 0.000 0.534 242 G N 2.042 110.788 108.800 -0.090 0.000 2.440 242 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 242 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 242 G C 1.242 176.146 174.900 0.008 0.000 1.154 242 G CA 0.925 46.017 45.100 -0.013 0.000 0.767 242 G HN 0.524 nan 8.290 nan 0.000 0.552 243 W N 0.314 121.642 121.300 0.048 0.000 2.331 243 W HA -0.064 4.596 4.660 -0.000 0.000 0.291 243 W C 1.635 178.209 176.519 0.092 0.000 1.214 243 W CA 1.058 58.445 57.345 0.070 0.000 1.228 243 W CB -0.977 28.533 29.460 0.082 0.000 1.135 243 W HN 0.236 nan 8.180 nan 0.000 0.537 244 L N 0.828 121.543 121.223 -0.845 0.000 2.316 244 L HA 0.206 4.545 4.340 -0.000 0.000 0.207 244 L C 2.560 179.230 176.870 -0.333 0.000 1.070 244 L CA 1.037 55.413 54.840 -0.773 0.000 0.820 244 L CB -0.980 40.251 42.059 -1.380 0.000 0.992 244 L HN -0.140 nan 8.230 nan 0.000 0.466 245 L N 0.432 121.517 121.223 -0.231 0.000 2.127 245 L HA -0.222 4.118 4.340 -0.000 0.000 0.211 245 L C 2.315 179.132 176.870 -0.087 0.000 1.089 245 L CA 1.748 56.509 54.840 -0.131 0.000 0.757 245 L CB -0.671 41.327 42.059 -0.103 0.000 0.899 245 L HN 0.391 nan 8.230 nan 0.000 0.434 246 K N 0.170 120.533 120.400 -0.062 0.000 2.504 246 K HA -0.114 4.206 4.320 -0.000 0.000 0.195 246 K C 1.413 177.998 176.600 -0.025 0.000 1.036 246 K CA 0.904 57.176 56.287 -0.024 0.000 0.984 246 K CB -0.057 32.448 32.500 0.008 0.000 0.788 246 K HN 0.275 nan 8.250 nan 0.000 0.488 247 K N 1.455 121.826 120.400 -0.048 0.000 2.374 247 K HA 0.026 4.346 4.320 -0.000 0.000 0.196 247 K C 0.378 176.947 176.600 -0.051 0.000 1.023 247 K CA 0.353 56.618 56.287 -0.037 0.000 1.103 247 K CB 0.748 33.228 32.500 -0.032 0.000 0.848 247 K HN 0.343 nan 8.250 nan 0.000 0.528 248 T N -0.876 113.637 114.554 -0.068 0.000 2.847 248 T HA 0.138 4.488 4.350 -0.000 0.000 0.279 248 T C 0.374 175.041 174.700 -0.055 0.000 0.984 248 T CA -0.726 61.333 62.100 -0.070 0.000 0.988 248 T CB 0.877 69.690 68.868 -0.091 0.000 1.040 248 T HN 0.137 nan 8.240 nan 0.000 0.528 249 N N -0.229 118.438 118.700 -0.054 0.000 2.681 249 N HA -0.130 4.610 4.740 -0.000 0.000 0.259 249 N C 0.988 176.475 175.510 -0.037 0.000 1.066 249 N CA 0.858 53.879 53.050 -0.048 0.000 0.717 249 N CB -1.277 37.177 38.487 -0.055 0.000 0.885 249 N HN 1.024 nan 8.380 nan 0.000 0.547 250 G N 0.217 108.998 108.800 -0.032 0.000 2.471 250 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.219 250 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.219 250 G C 1.021 175.908 174.900 -0.022 0.000 1.125 250 G CA 0.811 45.897 45.100 -0.024 0.000 0.775 250 G HN 0.661 nan 8.290 nan 0.000 0.548 251 E N 0.038 120.223 120.200 -0.025 0.000 2.502 251 E HA 0.051 4.401 4.350 -0.000 0.000 0.194 251 E C 0.365 176.950 176.600 -0.025 0.000 1.062 251 E CA -0.214 56.172 56.400 -0.023 0.000 0.867 251 E CB -0.154 29.531 29.700 -0.024 0.000 0.888 251 E HN 0.529 nan 8.360 nan 0.000 0.510 252 N N 0.906 119.589 118.700 -0.028 0.000 2.735 252 N HA -0.188 4.552 4.740 -0.000 0.000 0.248 252 N C -0.710 174.780 175.510 -0.033 0.000 1.083 252 N CA -0.171 52.862 53.050 -0.029 0.000 0.703 252 N CB -1.107 37.367 38.487 -0.023 0.000 1.005 252 N HN 0.226 nan 8.380 nan 0.000 0.550 253 I N 1.027 121.574 120.570 -0.039 0.000 2.598 253 I HA 0.008 4.178 4.170 -0.000 0.000 0.284 253 I C 0.890 176.974 176.117 -0.054 0.000 1.140 253 I CA 0.639 61.912 61.300 -0.045 0.000 1.420 253 I CB 0.586 38.557 38.000 -0.049 0.000 1.387 253 I HN 0.210 nan 8.210 nan 0.000 0.553 254 E N 4.539 124.708 120.200 -0.051 0.000 2.221 254 E HA 0.715 5.065 4.350 -0.000 0.000 0.268 254 E C -0.102 176.457 176.600 -0.069 0.000 0.933 254 E CA -0.380 55.986 56.400 -0.057 0.000 0.809 254 E CB 1.969 31.643 29.700 -0.044 0.000 1.190 254 E HN 0.798 nan 8.360 nan 0.000 0.406 255 G N 0.897 109.648 108.800 -0.082 0.000 2.278 255 G HA2 0.276 4.236 3.960 -0.000 0.000 0.265 255 G HA3 0.276 4.236 3.960 -0.000 0.000 0.265 255 G C -0.389 174.429 174.900 -0.137 0.000 1.329 255 G CA -0.402 44.640 45.100 -0.096 0.000 1.017 255 G HN 0.822 nan 8.290 nan 0.000 0.472 256 G N -0.947 107.746 108.800 -0.177 0.000 3.119 256 G HA2 0.693 4.653 3.960 -0.000 0.000 0.206 256 G HA3 0.693 4.653 3.960 -0.000 0.000 0.206 256 G C -1.465 173.211 174.900 -0.374 0.000 1.313 256 G CA -0.046 44.902 45.100 -0.254 0.000 1.010 256 G HN 0.505 nan 8.290 nan 0.000 0.578 257 P HA -0.163 nan 4.420 nan 0.000 0.216 257 P C 1.763 178.734 177.300 -0.549 0.000 1.157 257 P CA 1.684 64.418 63.100 -0.611 0.000 0.880 257 P CB 0.155 31.297 31.700 -0.929 0.000 0.791 258 Q N -0.404 118.902 119.800 -0.824 0.000 2.084 258 Q HA -0.231 4.109 4.340 -0.000 0.000 0.202 258 Q C 1.801 177.687 176.000 -0.190 0.000 0.978 258 Q CA 1.589 57.097 55.803 -0.493 0.000 0.844 258 Q CB -0.246 28.287 28.738 -0.342 0.000 0.898 258 Q HN 0.141 nan 8.270 nan 0.000 0.426 259 E N 0.144 120.233 120.200 -0.185 0.000 2.150 259 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 259 E C 1.651 178.195 176.600 -0.093 0.000 0.985 259 E CA 1.135 57.469 56.400 -0.110 0.000 0.814 259 E CB -0.242 29.393 29.700 -0.108 0.000 0.752 259 E HN 0.476 nan 8.360 nan 0.000 0.466 260 A N 0.208 122.954 122.820 -0.124 0.000 1.969 260 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 260 A C 1.987 179.575 177.584 0.006 0.000 1.169 260 A CA 0.891 52.879 52.037 -0.081 0.000 0.635 260 A CB -0.373 18.529 19.000 -0.162 0.000 0.810 260 A HN 0.221 nan 8.150 nan 0.000 0.445 261 L N -0.950 120.291 121.223 0.029 0.000 2.509 261 L HA 0.064 4.404 4.340 -0.000 0.000 0.222 261 L C 0.822 177.708 176.870 0.027 0.000 1.123 261 L CA -0.021 54.854 54.840 0.058 0.000 0.856 261 L CB -0.149 41.968 42.059 0.096 0.000 0.985 261 L HN 0.126 nan 8.230 nan 0.000 0.456 262 K N 1.355 121.759 120.400 0.006 0.000 2.436 262 K HA -0.059 4.261 4.320 -0.000 0.000 0.282 262 K C 0.201 176.800 176.600 -0.001 0.000 1.044 262 K CA 0.499 56.788 56.287 0.005 0.000 1.028 262 K CB -0.147 32.349 32.500 -0.006 0.000 0.919 262 K HN 0.096 nan 8.250 nan 0.000 0.474 263 D N 1.030 121.430 120.400 0.001 0.000 3.076 263 D HA -0.209 4.431 4.640 -0.000 0.000 0.218 263 D C -0.681 175.614 176.300 -0.009 0.000 1.156 263 D CA 1.335 55.332 54.000 -0.005 0.000 0.921 263 D CB -1.382 39.413 40.800 -0.009 0.000 1.113 263 D HN 0.624 nan 8.370 nan 0.000 0.418 264 A N 0.292 123.109 122.820 -0.005 0.000 2.316 264 A HA 0.365 4.685 4.320 -0.000 0.000 0.284 264 A C 1.065 178.636 177.584 -0.023 0.000 1.115 264 A CA -0.156 51.873 52.037 -0.012 0.000 0.812 264 A CB 0.801 19.802 19.000 0.002 0.000 1.064 264 A HN -0.028 nan 8.150 nan 0.000 0.489 265 D N 0.219 120.597 120.400 -0.037 0.000 2.324 265 D HA 0.148 4.788 4.640 -0.000 0.000 0.212 265 D C -0.046 176.209 176.300 -0.076 0.000 0.984 265 D CA 1.165 55.136 54.000 -0.049 0.000 0.885 265 D CB 0.578 41.348 40.800 -0.050 0.000 0.996 265 D HN 0.256 nan 8.370 nan 0.000 0.505 266 V N 1.457 121.315 119.914 -0.092 0.000 2.789 266 V HA 0.381 4.501 4.120 -0.000 0.000 0.311 266 V C -1.077 174.938 176.094 -0.131 0.000 1.073 266 V CA -0.956 61.252 62.300 -0.152 0.000 0.921 266 V CB 2.984 34.681 31.823 -0.210 0.000 1.009 266 V HN -0.066 nan 8.190 nan 0.000 0.426 267 L N 5.473 126.593 121.223 -0.173 0.000 2.372 267 L HA 0.706 5.046 4.340 -0.000 0.000 0.274 267 L C -1.073 175.684 176.870 -0.188 0.000 0.988 267 L CA 0.073 54.820 54.840 -0.155 0.000 0.833 267 L CB 1.236 43.189 42.059 -0.177 0.000 1.236 267 L HN 0.581 nan 8.230 nan 0.000 0.410 268 I N 3.805 124.292 120.570 -0.137 0.000 2.418 268 I HA 0.452 4.622 4.170 -0.000 0.000 0.287 268 I C -0.407 175.622 176.117 -0.146 0.000 1.008 268 I CA -0.415 60.804 61.300 -0.134 0.000 1.104 268 I CB 2.006 39.972 38.000 -0.057 0.000 1.264 268 I HN 0.632 nan 8.210 nan 0.000 0.438 269 S N 5.893 121.402 115.700 -0.317 0.000 2.519 269 S HA 0.633 5.102 4.470 -0.000 0.000 0.309 269 S C -0.932 173.393 174.600 -0.458 0.000 1.100 269 S CA -0.321 57.737 58.200 -0.237 0.000 1.059 269 S CB 0.628 63.690 63.200 -0.230 0.000 1.008 269 S HN 0.385 nan 8.310 nan 0.000 0.478 270 F N 3.483 123.503 119.950 0.116 0.000 2.542 270 F HA 0.275 4.802 4.527 -0.000 0.000 0.323 270 F C 1.299 177.162 175.800 0.106 0.000 1.411 270 F CA -0.511 57.548 58.000 0.098 0.000 1.124 270 F CB 0.570 39.626 39.000 0.094 0.000 1.331 270 F HN 0.688 nan 8.300 nan 0.000 0.560 271 T N -1.610 113.078 114.554 0.224 0.000 2.281 271 T HA 0.511 4.861 4.350 -0.000 0.000 0.180 271 T C 0.425 175.214 174.700 0.148 0.000 0.683 271 T CA -0.446 61.767 62.100 0.188 0.000 1.735 271 T CB 0.529 69.508 68.868 0.186 0.000 3.036 271 T HN 0.269 nan 8.240 nan 0.000 0.399 272 R N 1.310 121.883 120.500 0.121 0.000 2.744 272 R HA 0.677 5.017 4.340 -0.000 0.000 0.279 272 R C -3.096 173.249 176.300 0.076 0.000 0.977 272 R CA -2.278 53.879 56.100 0.096 0.000 0.906 272 R CB 1.288 31.641 30.300 0.088 0.000 1.197 272 R HN 0.284 nan 8.270 nan 0.000 0.463 273 P HA 0.073 nan 4.420 nan 0.000 0.270 273 P C -0.441 176.882 177.300 0.039 0.000 1.223 273 P CA 0.034 63.162 63.100 0.046 0.000 0.785 273 P CB 1.138 32.864 31.700 0.043 0.000 0.923 274 G N 1.329 110.144 108.800 0.026 0.000 3.019 274 G HA2 0.541 4.501 3.960 -0.000 0.000 0.152 274 G HA3 0.541 4.501 3.960 -0.000 0.000 0.152 274 G C -2.383 172.524 174.900 0.012 0.000 1.320 274 G CA -0.920 44.189 45.100 0.016 0.000 1.013 274 G HN 0.438 nan 8.290 nan 0.000 0.593 275 P HA 0.369 nan 4.420 nan 0.000 0.276 275 P C 0.476 177.762 177.300 -0.024 0.000 1.261 275 P CA 0.958 64.047 63.100 -0.017 0.000 0.800 275 P CB 1.344 33.031 31.700 -0.022 0.000 1.066 276 G N -1.190 107.580 108.800 -0.050 0.000 2.195 276 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.224 276 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.224 276 G C 0.772 175.643 174.900 -0.048 0.000 0.990 276 G CA 0.166 45.227 45.100 -0.066 0.000 0.639 276 G HN 0.357 nan 8.290 nan 0.000 0.514 277 V N 0.615 120.528 119.914 -0.000 0.000 2.453 277 V HA 0.231 4.351 4.120 -0.000 0.000 0.247 277 V C 1.460 177.641 176.094 0.144 0.000 1.048 277 V CA 1.726 64.077 62.300 0.084 0.000 1.049 277 V CB -0.103 31.777 31.823 0.095 0.000 0.672 277 V HN 0.462 nan 8.190 nan 0.000 0.457 278 I N 0.752 121.333 120.570 0.018 0.000 2.382 278 I HA 0.286 4.456 4.170 -0.000 0.000 0.286 278 I C -0.186 175.728 176.117 -0.337 0.000 1.002 278 I CA -0.412 60.901 61.300 0.020 0.000 1.135 278 I CB 1.474 39.485 38.000 0.018 0.000 1.288 278 I HN 0.069 nan 8.210 nan 0.000 0.448 279 K N 7.314 127.114 120.400 -1.001 0.000 2.322 279 K HA 0.217 4.537 4.320 -0.000 0.000 0.283 279 K C -1.765 174.502 176.600 -0.554 0.000 1.042 279 K CA -1.368 54.335 56.287 -0.972 0.000 0.958 279 K CB 0.850 32.379 32.500 -1.618 0.000 0.984 279 K HN 0.229 nan 8.250 nan 0.000 0.473 280 P HA -0.284 nan 4.420 nan 0.000 0.216 280 P C 1.109 178.340 177.300 -0.115 0.000 1.150 280 P CA 1.365 64.364 63.100 -0.168 0.000 0.843 280 P CB 0.124 31.741 31.700 -0.138 0.000 0.787 281 Q N -1.878 117.820 119.800 -0.171 0.000 2.226 281 Q HA -0.183 4.156 4.340 -0.000 0.000 0.204 281 Q C 1.471 177.545 176.000 0.123 0.000 0.975 281 Q CA 1.197 56.973 55.803 -0.046 0.000 0.866 281 Q CB -0.995 27.708 28.738 -0.058 0.000 0.915 281 Q HN 0.255 nan 8.270 nan 0.000 0.440 282 W N 1.091 122.390 121.300 -0.002 0.000 2.418 282 W HA 0.039 4.699 4.660 -0.000 0.000 0.292 282 W C 2.055 178.569 176.519 -0.008 0.000 1.213 282 W CA -0.204 57.146 57.345 0.009 0.000 1.283 282 W CB -0.447 29.029 29.460 0.028 0.000 1.119 282 W HN 0.160 nan 8.180 nan 0.000 0.542 283 I N 0.703 121.384 120.570 0.185 0.000 2.226 283 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 283 I C 1.862 178.013 176.117 0.058 0.000 1.100 283 I CA 1.350 62.699 61.300 0.081 0.000 1.374 283 I CB -1.570 36.441 38.000 0.018 0.000 1.057 283 I HN 0.116 nan 8.210 nan 0.000 0.413 284 E N 0.794 121.027 120.200 0.054 0.000 2.267 284 E HA -0.202 4.148 4.350 -0.000 0.000 0.197 284 E C 1.718 178.345 176.600 0.045 0.000 0.998 284 E CA 0.691 57.113 56.400 0.037 0.000 0.830 284 E CB 0.006 29.724 29.700 0.030 0.000 0.751 284 E HN 0.386 nan 8.360 nan 0.000 0.491 285 K N -0.003 120.439 120.400 0.070 0.000 2.432 285 K HA 0.070 4.390 4.320 -0.000 0.000 0.196 285 K C 1.013 177.636 176.600 0.037 0.000 1.038 285 K CA 0.397 56.718 56.287 0.058 0.000 0.986 285 K CB -0.014 32.532 32.500 0.077 0.000 0.782 285 K HN 0.220 nan 8.250 nan 0.000 0.485 286 M N 1.166 120.786 119.600 0.034 0.000 2.157 286 M HA 0.021 4.501 4.480 -0.000 0.000 0.304 286 M C 0.686 176.989 176.300 0.005 0.000 1.171 286 M CA -0.147 55.163 55.300 0.015 0.000 1.157 286 M CB 0.159 32.763 32.600 0.007 0.000 1.403 286 M HN -0.113 nan 8.290 nan 0.000 0.473 287 N N 1.105 119.803 118.700 -0.004 0.000 2.288 287 N HA 0.035 4.774 4.740 -0.000 0.000 0.237 287 N C -0.490 175.015 175.510 -0.008 0.000 1.311 287 N CA -0.118 52.928 53.050 -0.007 0.000 0.909 287 N CB 0.299 38.779 38.487 -0.013 0.000 1.167 287 N HN 0.521 nan 8.380 nan 0.000 0.476 288 E N 0.277 120.473 120.200 -0.008 0.000 2.404 288 E HA -0.086 4.264 4.350 -0.000 0.000 0.261 288 E C -0.732 175.861 176.600 -0.012 0.000 1.074 288 E CA -0.059 56.336 56.400 -0.008 0.000 0.917 288 E CB 0.246 29.942 29.700 -0.007 0.000 0.965 288 E HN 0.397 nan 8.360 nan 0.000 0.433 289 D N 0.671 121.064 120.400 -0.011 0.000 2.699 289 D HA -0.196 4.444 4.640 -0.000 0.000 0.239 289 D C -0.639 175.651 176.300 -0.018 0.000 1.136 289 D CA 0.877 54.870 54.000 -0.012 0.000 0.668 289 D CB -1.571 39.223 40.800 -0.011 0.000 1.060 289 D HN 0.540 nan 8.370 nan 0.000 0.429 290 A N 0.262 123.070 122.820 -0.019 0.000 2.498 290 A HA 0.429 4.749 4.320 -0.000 0.000 0.239 290 A C 0.718 178.284 177.584 -0.030 0.000 1.068 290 A CA 0.204 52.224 52.037 -0.028 0.000 0.766 290 A CB 0.501 19.487 19.000 -0.023 0.000 1.003 290 A HN 0.364 nan 8.150 nan 0.000 0.497 291 I N 2.429 122.964 120.570 -0.057 0.000 2.362 291 I HA 0.363 4.533 4.170 -0.000 0.000 0.289 291 I C -0.816 175.251 176.117 -0.083 0.000 0.994 291 I CA -0.543 60.720 61.300 -0.061 0.000 1.158 291 I CB 1.835 39.747 38.000 -0.147 0.000 1.315 291 I HN 0.283 nan 8.210 nan 0.000 0.451 292 V N 6.822 126.757 119.914 0.035 0.000 2.444 292 V HA 0.392 4.512 4.120 -0.000 0.000 0.294 292 V C -0.806 175.467 176.094 0.298 0.000 1.022 292 V CA -0.492 61.835 62.300 0.045 0.000 0.850 292 V CB 1.735 33.548 31.823 -0.018 0.000 0.992 292 V HN 0.380 nan 8.190 nan 0.000 0.426 293 F N 6.224 126.077 119.950 -0.162 0.000 2.366 293 F HA 0.466 4.993 4.527 -0.000 0.000 0.357 293 F C -2.409 173.235 175.800 -0.260 0.000 1.107 293 F CA -3.462 54.426 58.000 -0.187 0.000 1.208 293 F CB 1.536 40.431 39.000 -0.177 0.000 1.464 293 F HN 0.310 nan 8.300 nan 0.000 0.501 294 P HA 0.256 nan 4.420 nan 0.000 0.262 294 P C 0.442 177.641 177.300 -0.169 0.000 1.620 294 P CA 0.073 63.080 63.100 -0.155 0.000 1.089 294 P CB 0.409 32.027 31.700 -0.136 0.000 1.601 295 L N 1.015 122.081 121.223 -0.261 0.000 2.653 295 L HA 0.291 4.631 4.340 -0.000 0.000 0.232 295 L C 1.162 178.002 176.870 -0.050 0.000 1.169 295 L CA -0.406 54.315 54.840 -0.199 0.000 0.951 295 L CB -0.275 41.580 42.059 -0.340 0.000 1.181 295 L HN 0.228 nan 8.230 nan 0.000 0.460 296 A N 0.592 123.391 122.820 -0.034 0.000 2.445 296 A HA 0.295 4.615 4.320 -0.000 0.000 0.242 296 A C -0.094 177.520 177.584 0.049 0.000 1.075 296 A CA 0.068 52.132 52.037 0.045 0.000 0.777 296 A CB 0.088 19.111 19.000 0.039 0.000 1.013 296 A HN 0.485 nan 8.150 nan 0.000 0.493 297 N N 1.445 120.187 118.700 0.070 0.000 2.272 297 N HA 0.479 5.219 4.740 -0.000 0.000 0.305 297 N C -2.010 173.530 175.510 0.050 0.000 1.103 297 N CA -1.549 51.535 53.050 0.057 0.000 0.791 297 N CB 2.085 40.610 38.487 0.062 0.000 1.356 297 N HN 0.527 nan 8.380 nan 0.000 0.486 298 P HA 0.064 nan 4.420 nan 0.000 0.240 298 P C -0.457 176.869 177.300 0.044 0.000 1.190 298 P CA 0.505 63.627 63.100 0.037 0.000 0.781 298 P CB 0.658 32.373 31.700 0.026 0.000 0.931 299 V N 3.721 123.662 119.914 0.044 0.000 2.448 299 V HA 0.311 4.431 4.120 -0.000 0.000 0.295 299 V C -2.274 173.840 176.094 0.033 0.000 1.025 299 V CA -2.373 59.956 62.300 0.050 0.000 0.859 299 V CB 2.035 33.883 31.823 0.041 0.000 0.988 299 V HN -0.025 nan 8.190 nan 0.000 0.431 300 P HA 0.108 nan 4.420 nan 0.000 0.268 300 P C 0.294 177.575 177.300 -0.032 0.000 1.208 300 P CA 0.019 63.103 63.100 -0.025 0.000 0.777 300 P CB 1.317 32.974 31.700 -0.072 0.000 0.875 301 E N 0.887 121.061 120.200 -0.043 0.000 2.209 301 E HA -0.046 4.304 4.350 -0.000 0.000 0.196 301 E C 0.814 177.380 176.600 -0.056 0.000 0.993 301 E CA 1.149 57.531 56.400 -0.032 0.000 0.819 301 E CB -0.147 29.535 29.700 -0.030 0.000 0.745 301 E HN 0.439 nan 8.360 nan 0.000 0.477 302 I N 0.027 120.545 120.570 -0.087 0.000 2.644 302 I HA 0.165 4.335 4.170 -0.000 0.000 0.291 302 I C -1.278 174.757 176.117 -0.138 0.000 1.180 302 I CA -0.871 60.365 61.300 -0.106 0.000 1.040 302 I CB 1.094 39.026 38.000 -0.114 0.000 1.255 302 I HN -0.148 nan 8.210 nan 0.000 0.422 303 L N 8.332 129.473 121.223 -0.137 0.000 2.461 303 L HA 0.224 4.564 4.340 -0.000 0.000 0.272 303 L C -1.609 175.113 176.870 -0.247 0.000 1.197 303 L CA -1.229 53.487 54.840 -0.207 0.000 0.836 303 L CB 0.207 42.194 42.059 -0.120 0.000 1.105 303 L HN 0.481 nan 8.230 nan 0.000 0.477 304 P HA -0.229 nan 4.420 nan 0.000 0.215 304 P C 1.270 178.469 177.300 -0.168 0.000 1.157 304 P CA 1.293 64.211 63.100 -0.303 0.000 0.874 304 P CB 0.044 31.480 31.700 -0.440 0.000 0.790 305 E N 0.630 120.749 120.200 -0.136 0.000 2.085 305 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 305 E C 1.699 178.257 176.600 -0.069 0.000 0.994 305 E CA 1.479 57.836 56.400 -0.071 0.000 0.801 305 E CB -1.137 28.542 29.700 -0.035 0.000 0.743 305 E HN 0.397 nan 8.360 nan 0.000 0.453 306 E N 1.289 121.439 120.200 -0.084 0.000 2.047 306 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 306 E C 2.218 178.770 176.600 -0.079 0.000 0.987 306 E CA 1.175 57.527 56.400 -0.079 0.000 0.799 306 E CB -0.196 29.449 29.700 -0.091 0.000 0.752 306 E HN 0.407 nan 8.360 nan 0.000 0.449 307 A N 1.777 124.543 122.820 -0.090 0.000 1.930 307 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 307 A C 1.970 179.520 177.584 -0.056 0.000 1.175 307 A CA 1.366 53.358 52.037 -0.075 0.000 0.627 307 A CB -0.259 18.690 19.000 -0.086 0.000 0.815 307 A HN 0.037 nan 8.150 nan 0.000 0.443 308 K N -0.358 120.008 120.400 -0.058 0.000 2.097 308 K HA -0.134 4.186 4.320 -0.000 0.000 0.206 308 K C 2.138 178.718 176.600 -0.034 0.000 1.049 308 K CA 1.507 57.769 56.287 -0.041 0.000 0.933 308 K CB -0.133 32.342 32.500 -0.041 0.000 0.717 308 K HN 0.479 nan 8.250 nan 0.000 0.442 309 K N 0.796 121.173 120.400 -0.038 0.000 2.211 309 K HA -0.064 4.255 4.320 -0.000 0.000 0.203 309 K C 1.603 178.185 176.600 -0.030 0.000 1.050 309 K CA 1.014 57.281 56.287 -0.032 0.000 0.945 309 K CB 0.054 32.533 32.500 -0.036 0.000 0.732 309 K HN 0.103 nan 8.250 nan 0.000 0.451 310 A N -0.249 122.551 122.820 -0.034 0.000 2.251 310 A HA 0.232 4.552 4.320 -0.000 0.000 0.209 310 A C 1.252 178.827 177.584 -0.016 0.000 1.187 310 A CA 0.769 52.789 52.037 -0.027 0.000 0.823 310 A CB -0.084 18.896 19.000 -0.033 0.000 0.846 310 A HN 0.529 nan 8.150 nan 0.000 0.486 311 G N -1.990 106.799 108.800 -0.018 0.000 2.231 311 G HA2 0.148 4.108 3.960 -0.000 0.000 0.206 311 G HA3 0.148 4.108 3.960 -0.000 0.000 0.206 311 G C 0.489 175.381 174.900 -0.014 0.000 0.996 311 G CA -0.052 45.040 45.100 -0.013 0.000 0.645 311 G HN 1.523 nan 8.290 nan 0.000 0.498 312 A N 0.578 123.386 122.820 -0.019 0.000 2.548 312 A HA 0.594 4.914 4.320 -0.000 0.000 0.247 312 A C 1.288 178.864 177.584 -0.014 0.000 1.067 312 A CA 1.417 53.443 52.037 -0.018 0.000 0.757 312 A CB 0.222 19.207 19.000 -0.026 0.000 0.996 312 A HN 0.659 nan 8.150 nan 0.000 0.504 313 R N 1.961 122.457 120.500 -0.007 0.000 2.140 313 R HA 0.258 4.598 4.340 -0.000 0.000 0.213 313 R C -0.153 176.151 176.300 0.006 0.000 1.059 313 R CA 0.718 56.816 56.100 -0.003 0.000 1.000 313 R CB 0.064 30.362 30.300 -0.002 0.000 0.910 313 R HN 0.752 nan 8.270 nan 0.000 0.455 314 I N 1.378 121.960 120.570 0.020 0.000 2.533 314 I HA 0.310 4.479 4.170 -0.000 0.000 0.290 314 I C -1.239 174.923 176.117 0.074 0.000 1.056 314 I CA -1.107 60.222 61.300 0.048 0.000 1.057 314 I CB 2.528 40.579 38.000 0.084 0.000 1.240 314 I HN -0.224 nan 8.210 nan 0.000 0.423 315 V N 4.483 124.419 119.914 0.036 0.000 2.709 315 V HA 0.847 4.967 4.120 -0.000 0.000 0.308 315 V C -0.335 175.707 176.094 -0.086 0.000 1.062 315 V CA -0.500 61.803 62.300 0.004 0.000 0.901 315 V CB 1.862 33.638 31.823 -0.078 0.000 1.003 315 V HN 0.837 nan 8.190 nan 0.000 0.425 316 A N 2.838 125.535 122.820 -0.205 0.000 2.422 316 A HA 0.981 5.300 4.320 -0.000 0.000 0.302 316 A C -0.231 177.117 177.584 -0.393 0.000 1.041 316 A CA -0.076 51.686 52.037 -0.458 0.000 0.708 316 A CB 2.134 20.475 19.000 -1.098 0.000 1.257 316 A HN 1.049 nan 8.150 nan 0.000 0.414 317 T N -1.829 112.568 114.554 -0.262 0.000 2.742 317 T HA 0.659 5.009 4.350 -0.000 0.000 0.282 317 T C 0.770 175.408 174.700 -0.104 0.000 1.025 317 T CA 0.142 62.145 62.100 -0.162 0.000 1.020 317 T CB 1.297 70.118 68.868 -0.078 0.000 1.317 317 T HN 1.295 nan 8.240 nan 0.000 0.538 318 G N -0.303 108.476 108.800 -0.036 0.000 3.189 318 G HA2 0.245 4.205 3.960 -0.000 0.000 0.225 318 G HA3 0.245 4.205 3.960 -0.000 0.000 0.225 318 G C 0.449 175.360 174.900 0.019 0.000 1.159 318 G CA -0.486 44.612 45.100 -0.003 0.000 0.763 318 G HN 0.633 nan 8.290 nan 0.000 0.549 319 R N 0.548 121.080 120.500 0.053 0.000 2.457 319 R HA 0.306 4.646 4.340 -0.000 0.000 0.284 319 R C 1.288 177.598 176.300 0.017 0.000 1.024 319 R CA 0.256 56.388 56.100 0.053 0.000 1.025 319 R CB 1.396 31.771 30.300 0.125 0.000 1.063 319 R HN 0.198 nan 8.270 nan 0.000 0.493 320 S N 0.005 115.685 115.700 -0.032 0.000 2.489 320 S HA -0.106 4.364 4.470 -0.000 0.000 0.228 320 S C 0.834 175.383 174.600 -0.085 0.000 0.995 320 S CA 0.924 59.095 58.200 -0.049 0.000 0.934 320 S CB -0.164 63.006 63.200 -0.050 0.000 0.771 320 S HN 0.750 nan 8.310 nan 0.000 0.522 321 D N -0.746 119.551 120.400 -0.171 0.000 2.328 321 D HA 0.138 4.778 4.640 -0.000 0.000 0.226 321 D C -0.345 175.725 176.300 -0.383 0.000 1.066 321 D CA -0.047 53.778 54.000 -0.292 0.000 0.861 321 D CB -0.291 40.270 40.800 -0.399 0.000 0.912 321 D HN 0.428 nan 8.370 nan 0.000 0.521 322 Y N -0.535 119.738 120.300 -0.044 0.000 2.570 322 Y HA 0.501 5.051 4.550 -0.000 0.000 0.345 322 Y C -2.208 173.657 175.900 -0.057 0.000 1.014 322 Y CA -3.043 55.027 58.100 -0.050 0.000 1.063 322 Y CB 1.158 39.584 38.460 -0.057 0.000 1.272 322 Y HN -0.260 nan 8.280 nan 0.000 0.477 323 P HA 0.145 nan 4.420 nan 0.000 0.272 323 P C -0.807 176.488 177.300 -0.008 0.000 1.240 323 P CA -0.054 63.068 63.100 0.036 0.000 0.791 323 P CB 0.394 32.108 31.700 0.024 0.000 0.978 324 N N -0.816 117.860 118.700 -0.041 0.000 2.727 324 N HA -0.201 4.539 4.740 -0.000 0.000 0.251 324 N C -0.271 175.161 175.510 -0.130 0.000 1.040 324 N CA 0.662 53.656 53.050 -0.093 0.000 0.712 324 N CB -1.392 37.020 38.487 -0.126 0.000 0.912 324 N HN 0.633 nan 8.380 nan 0.000 0.545 325 Q N 0.848 120.597 119.800 -0.085 0.000 2.286 325 Q HA 0.171 4.511 4.340 -0.000 0.000 0.267 325 Q C 0.091 176.029 176.000 -0.104 0.000 1.028 325 Q CA -0.235 55.518 55.803 -0.083 0.000 0.901 325 Q CB 0.495 29.205 28.738 -0.047 0.000 1.183 325 Q HN 0.199 nan 8.270 nan 0.000 0.392 326 I N 4.874 125.369 120.570 -0.125 0.000 2.260 326 I HA 0.089 4.259 4.170 -0.000 0.000 0.297 326 I C -0.037 176.063 176.117 -0.029 0.000 1.143 326 I CA -0.027 61.217 61.300 -0.093 0.000 1.271 326 I CB -0.652 37.281 38.000 -0.111 0.000 1.461 326 I HN 0.566 nan 8.210 nan 0.000 0.530 327 N N 4.848 123.528 118.700 -0.033 0.000 2.437 327 N HA 0.146 4.886 4.740 -0.000 0.000 0.259 327 N C 0.837 176.348 175.510 0.002 0.000 0.983 327 N CA -0.180 52.858 53.050 -0.021 0.000 0.937 327 N CB 0.826 39.276 38.487 -0.061 0.000 1.122 327 N HN 0.250 nan 8.380 nan 0.000 0.499 328 N N 2.039 120.776 118.700 0.061 0.000 2.348 328 N HA -0.144 4.596 4.740 -0.000 0.000 0.185 328 N C 1.381 176.961 175.510 0.117 0.000 1.019 328 N CA 0.434 53.566 53.050 0.138 0.000 0.880 328 N CB -0.031 38.578 38.487 0.202 0.000 0.965 328 N HN 0.509 nan 8.380 nan 0.000 0.437 329 L N 0.463 121.683 121.223 -0.006 0.000 2.261 329 L HA -0.028 4.312 4.340 -0.000 0.000 0.216 329 L C 1.453 178.107 176.870 -0.360 0.000 1.114 329 L CA 1.242 55.909 54.840 -0.288 0.000 0.777 329 L CB -0.374 41.490 42.059 -0.324 0.000 0.910 329 L HN 0.232 nan 8.230 nan 0.000 0.440 330 L N -1.334 119.774 121.223 -0.190 0.000 2.275 330 L HA -0.055 4.285 4.340 -0.000 0.000 0.215 330 L C 2.152 178.936 176.870 -0.144 0.000 1.119 330 L CA 0.879 55.602 54.840 -0.196 0.000 0.790 330 L CB -0.919 41.039 42.059 -0.168 0.000 0.919 330 L HN 0.459 nan 8.230 nan 0.000 0.443 331 G N 0.229 108.973 108.800 -0.093 0.000 2.724 331 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.217 331 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.217 331 G C 1.246 176.137 174.900 -0.015 0.000 1.251 331 G CA 0.495 45.597 45.100 0.004 0.000 0.867 331 G HN 0.323 nan 8.290 nan 0.000 0.590 332 F N 2.143 122.121 119.950 0.047 0.000 2.111 332 F HA -0.058 4.469 4.527 -0.000 0.000 0.300 332 F C -0.187 175.617 175.800 0.006 0.000 1.088 332 F CA 1.431 59.424 58.000 -0.010 0.000 1.243 332 F CB -1.902 37.072 39.000 -0.043 0.000 0.996 332 F HN 0.161 nan 8.300 nan 0.000 0.483 333 P HA -0.009 nan 4.420 nan 0.000 0.216 333 P C 2.040 179.404 177.300 0.108 0.000 1.153 333 P CA 2.219 65.202 63.100 -0.195 0.000 0.848 333 P CB -0.422 30.944 31.700 -0.557 0.000 0.787 334 G N -0.524 108.384 108.800 0.181 0.000 2.403 334 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.216 334 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.216 334 G C 1.532 176.502 174.900 0.117 0.000 1.154 334 G CA 0.329 45.559 45.100 0.217 0.000 0.784 334 G HN 0.209 nan 8.290 nan 0.000 0.538 335 I N -0.405 120.197 120.570 0.052 0.000 2.179 335 I HA -0.105 4.065 4.170 -0.000 0.000 0.242 335 I C 2.403 178.462 176.117 -0.096 0.000 1.088 335 I CA 0.961 62.210 61.300 -0.086 0.000 1.357 335 I CB -0.228 37.595 38.000 -0.295 0.000 1.051 335 I HN 0.071 nan 8.210 nan 0.000 0.409 336 F N 0.766 120.742 119.950 0.044 0.000 2.206 336 F HA -0.170 4.357 4.527 -0.000 0.000 0.298 336 F C 2.681 178.559 175.800 0.130 0.000 1.090 336 F CA 1.280 59.351 58.000 0.118 0.000 1.323 336 F CB -0.359 38.813 39.000 0.287 0.000 1.028 336 F HN -0.081 nan 8.300 nan 0.000 0.492 337 R N 0.749 121.432 120.500 0.305 0.000 2.080 337 R HA -0.122 4.218 4.340 -0.000 0.000 0.236 337 R C 2.377 178.790 176.300 0.188 0.000 1.137 337 R CA 1.945 58.178 56.100 0.222 0.000 0.943 337 R CB -1.385 29.011 30.300 0.159 0.000 0.846 337 R HN 0.270 nan 8.270 nan 0.000 0.431 338 G N -0.574 108.307 108.800 0.136 0.000 2.418 338 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 338 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 338 G C 1.586 176.540 174.900 0.089 0.000 1.158 338 G CA 0.830 45.996 45.100 0.110 0.000 0.771 338 G HN 0.522 nan 8.290 nan 0.000 0.545 339 A N 0.615 123.460 122.820 0.042 0.000 1.877 339 A HA 0.081 4.401 4.320 -0.000 0.000 0.216 339 A C 2.444 180.071 177.584 0.072 0.000 1.186 339 A CA 1.344 53.388 52.037 0.012 0.000 0.620 339 A CB -0.439 18.501 19.000 -0.100 0.000 0.822 339 A HN 0.350 nan 8.150 nan 0.000 0.443 340 L N -0.548 120.761 121.223 0.144 0.000 2.093 340 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 340 L C 1.900 178.858 176.870 0.145 0.000 1.085 340 L CA 1.287 56.230 54.840 0.172 0.000 0.755 340 L CB -0.614 41.591 42.059 0.243 0.000 0.904 340 L HN 0.266 nan 8.230 nan 0.000 0.435 341 D N -0.287 120.228 120.400 0.192 0.000 2.218 341 D HA -0.113 4.527 4.640 -0.000 0.000 0.204 341 D C 1.763 178.121 176.300 0.097 0.000 0.976 341 D CA 1.390 55.528 54.000 0.229 0.000 0.853 341 D CB 0.134 41.172 40.800 0.397 0.000 0.939 341 D HN 0.349 nan 8.370 nan 0.000 0.481 342 V N -2.631 117.316 119.914 0.054 0.000 3.214 342 V HA 0.330 4.450 4.120 -0.000 0.000 0.330 342 V C 0.730 176.789 176.094 -0.059 0.000 1.403 342 V CA -0.487 61.805 62.300 -0.014 0.000 1.143 342 V CB -0.407 31.420 31.823 0.007 0.000 1.098 342 V HN 0.058 nan 8.190 nan 0.000 0.463 343 R N 0.825 121.284 120.500 -0.069 0.000 3.251 343 R HA -0.193 4.147 4.340 -0.000 0.000 0.249 343 R C 0.401 176.660 176.300 -0.070 0.000 0.949 343 R CA 0.534 56.557 56.100 -0.128 0.000 0.645 343 R CB -1.288 28.829 30.300 -0.305 0.000 1.065 343 R HN 1.067 nan 8.270 nan 0.000 0.452 344 A N 1.650 124.458 122.820 -0.020 0.000 2.492 344 A HA 0.108 4.428 4.320 -0.000 0.000 0.254 344 A C 1.284 178.873 177.584 0.009 0.000 1.091 344 A CA -0.223 51.809 52.037 -0.008 0.000 0.768 344 A CB 0.706 19.703 19.000 -0.005 0.000 1.028 344 A HN 0.539 nan 8.150 nan 0.000 0.498 345 R N 0.994 121.499 120.500 0.010 0.000 2.120 345 R HA -0.068 4.272 4.340 -0.000 0.000 0.234 345 R C 0.475 176.800 176.300 0.042 0.000 1.123 345 R CA 1.919 58.038 56.100 0.030 0.000 0.975 345 R CB -0.181 30.132 30.300 0.022 0.000 0.866 345 R HN 0.803 nan 8.270 nan 0.000 0.446 346 T N -1.309 113.263 114.554 0.030 0.000 2.843 346 T HA 0.484 4.834 4.350 -0.000 0.000 0.302 346 T C -1.181 173.531 174.700 0.021 0.000 1.232 346 T CA -0.675 61.447 62.100 0.037 0.000 1.009 346 T CB 1.239 70.132 68.868 0.041 0.000 1.254 346 T HN -0.001 nan 8.240 nan 0.000 0.504 347 I N 4.091 124.683 120.570 0.036 0.000 2.337 347 I HA 0.289 4.459 4.170 -0.000 0.000 0.285 347 I C 1.082 177.250 176.117 0.086 0.000 1.041 347 I CA -0.637 60.684 61.300 0.035 0.000 1.199 347 I CB 1.391 39.408 38.000 0.028 0.000 1.370 347 I HN 0.762 nan 8.210 nan 0.000 0.470 348 T N -0.035 114.556 114.554 0.061 0.000 2.816 348 T HA 0.178 4.528 4.350 -0.000 0.000 0.282 348 T C 0.783 175.531 174.700 0.080 0.000 0.993 348 T CA -0.596 61.542 62.100 0.064 0.000 0.994 348 T CB 1.422 70.316 68.868 0.042 0.000 1.025 348 T HN 0.385 nan 8.240 nan 0.000 0.529 349 D N 0.479 120.923 120.400 0.073 0.000 2.178 349 D HA -0.087 4.553 4.640 -0.000 0.000 0.201 349 D C 2.421 178.760 176.300 0.065 0.000 0.980 349 D CA 1.772 55.817 54.000 0.076 0.000 0.842 349 D CB -0.434 40.407 40.800 0.068 0.000 0.948 349 D HN 0.716 nan 8.370 nan 0.000 0.472 350 S N -0.421 115.310 115.700 0.051 0.000 2.402 350 S HA -0.134 4.336 4.470 -0.000 0.000 0.229 350 S C 2.016 176.641 174.600 0.042 0.000 1.021 350 S CA 0.666 58.891 58.200 0.041 0.000 0.974 350 S CB -0.315 62.904 63.200 0.032 0.000 0.800 350 S HN 0.176 nan 8.310 nan 0.000 0.484 351 M N 0.783 120.411 119.600 0.046 0.000 2.200 351 M HA 0.151 4.631 4.480 -0.000 0.000 0.265 351 M C 2.070 178.402 176.300 0.054 0.000 1.066 351 M CA 1.289 56.613 55.300 0.039 0.000 1.127 351 M CB -0.495 32.122 32.600 0.028 0.000 1.379 351 M HN 0.299 nan 8.290 nan 0.000 0.420 352 I N 0.024 120.646 120.570 0.087 0.000 2.315 352 I HA -0.274 3.896 4.170 -0.000 0.000 0.248 352 I C 2.159 178.327 176.117 0.084 0.000 1.117 352 I CA 1.238 62.610 61.300 0.120 0.000 1.404 352 I CB -0.268 37.833 38.000 0.167 0.000 1.071 352 I HN 0.247 nan 8.210 nan 0.000 0.419 353 I N 0.656 121.265 120.570 0.064 0.000 2.315 353 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 353 I C 2.770 178.910 176.117 0.038 0.000 1.117 353 I CA 1.135 62.464 61.300 0.048 0.000 1.404 353 I CB -0.416 37.608 38.000 0.040 0.000 1.071 353 I HN 0.169 nan 8.210 nan 0.000 0.419 354 A N 0.828 123.670 122.820 0.035 0.000 1.933 354 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 354 A C 2.549 180.147 177.584 0.023 0.000 1.175 354 A CA 1.783 53.835 52.037 0.026 0.000 0.628 354 A CB -0.714 18.301 19.000 0.025 0.000 0.814 354 A HN 0.422 nan 8.150 nan 0.000 0.444 355 A N -0.058 122.779 122.820 0.029 0.000 1.902 355 A HA 0.160 4.480 4.320 -0.000 0.000 0.217 355 A C 2.522 180.116 177.584 0.017 0.000 1.181 355 A CA 2.093 54.142 52.037 0.021 0.000 0.623 355 A CB -1.067 17.953 19.000 0.034 0.000 0.818 355 A HN 1.061 nan 8.150 nan 0.000 0.443 356 A N -0.067 122.773 122.820 0.034 0.000 1.883 356 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 356 A C 2.114 179.708 177.584 0.017 0.000 1.186 356 A CA 1.935 53.991 52.037 0.032 0.000 0.624 356 A CB -0.476 18.553 19.000 0.048 0.000 0.822 356 A HN 0.558 nan 8.150 nan 0.000 0.444 357 K N -0.390 120.020 120.400 0.016 0.000 2.097 357 K HA -0.032 4.288 4.320 -0.000 0.000 0.206 357 K C 2.300 178.899 176.600 -0.002 0.000 1.049 357 K CA 1.039 57.332 56.287 0.010 0.000 0.933 357 K CB -0.311 32.196 32.500 0.012 0.000 0.717 357 K HN 0.454 nan 8.250 nan 0.000 0.442 358 A N 1.541 124.357 122.820 -0.006 0.000 1.877 358 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 358 A C 2.127 179.686 177.584 -0.042 0.000 1.186 358 A CA 1.241 53.266 52.037 -0.020 0.000 0.620 358 A CB -0.568 18.421 19.000 -0.019 0.000 0.822 358 A HN 0.157 nan 8.150 nan 0.000 0.443 359 I N -0.154 120.386 120.570 -0.050 0.000 2.163 359 I HA -0.304 3.866 4.170 -0.000 0.000 0.243 359 I C 2.978 179.063 176.117 -0.054 0.000 1.085 359 I CA 1.158 62.411 61.300 -0.077 0.000 1.347 359 I CB -0.370 37.587 38.000 -0.072 0.000 1.044 359 I HN 0.359 nan 8.210 nan 0.000 0.408 360 A N 0.717 123.522 122.820 -0.025 0.000 1.933 360 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 360 A C 2.467 180.041 177.584 -0.017 0.000 1.175 360 A CA 2.150 54.180 52.037 -0.012 0.000 0.628 360 A CB -0.889 18.114 19.000 0.006 0.000 0.814 360 A HN 0.547 nan 8.150 nan 0.000 0.444 361 S N -0.109 115.580 115.700 -0.019 0.000 2.442 361 S HA -0.110 4.360 4.470 -0.000 0.000 0.236 361 S C 1.698 176.284 174.600 -0.024 0.000 1.007 361 S CA 1.204 59.394 58.200 -0.017 0.000 0.965 361 S CB -0.562 62.629 63.200 -0.014 0.000 0.773 361 S HN 0.366 nan 8.310 nan 0.000 0.504 362 I N 1.666 122.213 120.570 -0.038 0.000 2.361 362 I HA 0.023 4.193 4.170 -0.000 0.000 0.251 362 I C 0.818 176.915 176.117 -0.032 0.000 1.133 362 I CA 0.669 61.943 61.300 -0.043 0.000 1.413 362 I CB -1.151 36.808 38.000 -0.070 0.000 1.073 362 I HN 0.214 nan 8.210 nan 0.000 0.424 363 V N 2.255 122.152 119.914 -0.028 0.000 2.258 363 V HA 0.100 4.220 4.120 -0.000 0.000 0.258 363 V C 1.527 177.613 176.094 -0.012 0.000 1.121 363 V CA -0.176 62.112 62.300 -0.019 0.000 0.942 363 V CB 0.699 32.511 31.823 -0.018 0.000 1.170 363 V HN 0.310 nan 8.190 nan 0.000 0.487 364 E N 2.811 123.004 120.200 -0.011 0.000 2.106 364 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 364 E C 0.404 177.002 176.600 -0.003 0.000 0.984 364 E CA 0.831 57.227 56.400 -0.006 0.000 0.806 364 E CB 0.447 30.143 29.700 -0.006 0.000 0.750 364 E HN 0.608 nan 8.360 nan 0.000 0.458 365 E N 1.736 121.934 120.200 -0.004 0.000 3.167 365 E HA 0.218 4.568 4.350 -0.000 0.000 0.212 365 E C -2.323 174.277 176.600 -0.001 0.000 1.143 365 E CA -1.895 54.505 56.400 -0.002 0.000 1.002 365 E CB 1.112 30.811 29.700 -0.002 0.000 1.315 365 E HN 0.315 nan 8.360 nan 0.000 0.422 366 P HA 0.073 nan 4.420 nan 0.000 0.269 366 P C -0.090 177.213 177.300 0.005 0.000 1.215 366 P CA -0.003 63.099 63.100 0.004 0.000 0.780 366 P CB 1.105 32.811 31.700 0.009 0.000 0.898 367 S N -0.173 115.530 115.700 0.005 0.000 2.697 367 S HA 0.314 4.784 4.470 -0.000 0.000 0.289 367 S C 0.896 175.501 174.600 0.009 0.000 1.149 367 S CA -0.652 57.552 58.200 0.006 0.000 0.850 367 S CB 1.348 64.549 63.200 0.002 0.000 1.151 367 S HN 0.241 nan 8.310 nan 0.000 0.491 368 E N 0.776 120.981 120.200 0.009 0.000 2.171 368 E HA -0.107 4.243 4.350 -0.000 0.000 0.197 368 E C 0.982 177.586 176.600 0.006 0.000 0.997 368 E CA 1.521 57.927 56.400 0.011 0.000 0.810 368 E CB -0.046 29.658 29.700 0.006 0.000 0.738 368 E HN 0.577 nan 8.360 nan 0.000 0.467 369 E N -0.179 120.022 120.200 0.002 0.000 2.476 369 E HA 0.116 4.466 4.350 -0.000 0.000 0.196 369 E C -0.355 176.241 176.600 -0.006 0.000 1.029 369 E CA 0.011 56.410 56.400 -0.002 0.000 0.896 369 E CB 0.191 29.891 29.700 0.001 0.000 1.012 369 E HN 0.034 nan 8.360 nan 0.000 0.475 370 N N 0.886 119.583 118.700 -0.005 0.000 2.701 370 N HA 0.107 4.847 4.740 -0.000 0.000 0.258 370 N C -0.076 175.430 175.510 -0.006 0.000 1.262 370 N CA -0.092 52.952 53.050 -0.010 0.000 0.780 370 N CB 0.368 38.850 38.487 -0.009 0.000 1.380 370 N HN 0.020 nan 8.380 nan 0.000 0.548 371 I N -0.132 120.432 120.570 -0.010 0.000 4.327 371 I HA 0.575 4.745 4.170 -0.000 0.000 0.331 371 I C -0.318 175.795 176.117 -0.007 0.000 1.348 371 I CA -0.184 61.118 61.300 0.005 0.000 1.152 371 I CB 0.479 38.501 38.000 0.036 0.000 1.151 371 I HN 0.280 nan 8.210 nan 0.000 0.410 372 I N 3.068 123.620 120.570 -0.031 0.000 2.656 372 I HA 0.563 4.733 4.170 -0.000 0.000 0.292 372 I C -2.514 173.569 176.117 -0.056 0.000 1.144 372 I CA -2.094 59.180 61.300 -0.044 0.000 1.038 372 I CB 2.635 40.599 38.000 -0.059 0.000 1.244 372 I HN -0.118 nan 8.210 nan 0.000 0.420 373 P HA 0.157 nan 4.420 nan 0.000 0.277 373 P C -0.984 176.260 177.300 -0.093 0.000 1.276 373 P CA -0.339 62.713 63.100 -0.080 0.000 0.788 373 P CB 0.939 32.579 31.700 -0.100 0.000 1.114 374 S N -0.799 114.848 115.700 -0.087 0.000 2.509 374 S HA 0.421 4.891 4.470 -0.000 0.000 0.297 374 S C -1.867 172.675 174.600 -0.098 0.000 1.118 374 S CA -1.856 56.296 58.200 -0.080 0.000 1.074 374 S CB 0.638 63.813 63.200 -0.042 0.000 1.038 374 S HN 0.139 nan 8.310 nan 0.000 0.498 375 P HA 0.047 nan 4.420 nan 0.000 0.225 375 P C 0.778 178.152 177.300 0.124 0.000 1.148 375 P CA 0.804 63.841 63.100 -0.106 0.000 0.779 375 P CB 0.047 31.541 31.700 -0.342 0.000 0.780 376 L N -1.957 119.331 121.223 0.108 0.000 2.554 376 L HA 0.052 4.391 4.340 -0.000 0.000 0.226 376 L C 0.929 177.891 176.870 0.153 0.000 1.137 376 L CA 0.172 55.129 54.840 0.196 0.000 0.863 376 L CB -0.632 41.496 42.059 0.116 0.000 0.985 376 L HN -0.025 nan 8.230 nan 0.000 0.451 377 N N 1.074 119.832 118.700 0.096 0.000 2.462 377 N HA 0.144 4.884 4.740 -0.000 0.000 0.242 377 N C -1.725 173.837 175.510 0.087 0.000 1.010 377 N CA -2.189 50.893 53.050 0.052 0.000 0.939 377 N CB 1.370 39.847 38.487 -0.015 0.000 1.127 377 N HN -0.181 nan 8.380 nan 0.000 0.509 378 P HA -0.134 nan 4.420 nan 0.000 0.219 378 P C 1.420 178.783 177.300 0.106 0.000 1.146 378 P CA 0.758 63.967 63.100 0.181 0.000 0.808 378 P CB 0.327 32.092 31.700 0.108 0.000 0.779 379 I N -1.026 119.560 120.570 0.026 0.000 2.454 379 I HA -0.143 4.027 4.170 -0.000 0.000 0.254 379 I C 2.361 178.437 176.117 -0.069 0.000 1.156 379 I CA 1.017 62.310 61.300 -0.011 0.000 1.433 379 I CB -1.553 36.436 38.000 -0.019 0.000 1.082 379 I HN -0.117 nan 8.210 nan 0.000 0.432 380 V N 0.650 120.463 119.914 -0.168 0.000 2.255 380 V HA -0.319 3.801 4.120 -0.000 0.000 0.247 380 V C 2.424 178.296 176.094 -0.370 0.000 1.051 380 V CA 2.054 64.146 62.300 -0.346 0.000 1.018 380 V CB -0.930 30.519 31.823 -0.623 0.000 0.641 380 V HN 0.233 nan 8.190 nan 0.000 0.445 381 Y N 0.517 120.802 120.300 -0.026 0.000 2.242 381 Y HA -0.038 4.512 4.550 -0.000 0.000 0.291 381 Y C 2.493 178.384 175.900 -0.016 0.000 1.137 381 Y CA 1.058 59.144 58.100 -0.025 0.000 1.181 381 Y CB -1.121 37.333 38.460 -0.011 0.000 0.989 381 Y HN 0.179 nan 8.280 nan 0.000 0.527 382 A N 0.291 123.171 122.820 0.101 0.000 1.877 382 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 382 A C 2.322 179.921 177.584 0.026 0.000 1.186 382 A CA 1.835 53.902 52.037 0.050 0.000 0.620 382 A CB -0.672 18.343 19.000 0.026 0.000 0.822 382 A HN 0.415 nan 8.150 nan 0.000 0.443 383 R N -0.356 120.144 120.500 -0.001 0.000 2.092 383 R HA -0.135 4.205 4.340 -0.000 0.000 0.231 383 R C 2.204 178.502 176.300 -0.004 0.000 1.119 383 R CA 1.620 57.716 56.100 -0.007 0.000 0.970 383 R CB -0.238 30.046 30.300 -0.027 0.000 0.864 383 R HN 0.731 nan 8.270 nan 0.000 0.440 384 E N -0.109 120.080 120.200 -0.018 0.000 2.047 384 E HA -0.181 4.168 4.350 -0.000 0.000 0.191 384 E C 1.771 178.388 176.600 0.027 0.000 0.987 384 E CA 1.190 57.585 56.400 -0.009 0.000 0.799 384 E CB -0.121 29.557 29.700 -0.037 0.000 0.752 384 E HN 0.439 nan 8.360 nan 0.000 0.449 385 A N 1.634 124.487 122.820 0.056 0.000 1.908 385 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 385 A C 2.236 179.861 177.584 0.069 0.000 1.181 385 A CA 1.734 53.816 52.037 0.075 0.000 0.627 385 A CB -0.657 18.401 19.000 0.097 0.000 0.818 385 A HN 0.291 nan 8.150 nan 0.000 0.445 386 R N -0.356 120.179 120.500 0.059 0.000 2.073 386 R HA -0.105 4.235 4.340 -0.000 0.000 0.234 386 R C 2.290 178.620 176.300 0.049 0.000 1.134 386 R CA 1.592 57.728 56.100 0.061 0.000 0.952 386 R CB -0.465 29.865 30.300 0.049 0.000 0.850 386 R HN 0.415 nan 8.270 nan 0.000 0.433 387 A N 0.310 123.150 122.820 0.033 0.000 1.902 387 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 387 A C 2.286 179.887 177.584 0.027 0.000 1.181 387 A CA 1.676 53.728 52.037 0.026 0.000 0.623 387 A CB -0.576 18.433 19.000 0.016 0.000 0.818 387 A HN 0.247 nan 8.150 nan 0.000 0.443 388 V N -0.243 119.687 119.914 0.027 0.000 2.358 388 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 388 V C 3.049 179.159 176.094 0.025 0.000 1.047 388 V CA 1.900 64.211 62.300 0.019 0.000 1.035 388 V CB -1.180 30.646 31.823 0.004 0.000 0.658 388 V HN 0.623 nan 8.190 nan 0.000 0.452 389 A N -0.305 122.541 122.820 0.044 0.000 1.877 389 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 389 A C 2.165 179.774 177.584 0.041 0.000 1.186 389 A CA 1.863 53.931 52.037 0.053 0.000 0.620 389 A CB -0.470 18.584 19.000 0.091 0.000 0.822 389 A HN 0.623 nan 8.150 nan 0.000 0.443 390 E N -0.886 119.339 120.200 0.041 0.000 2.106 390 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 390 E C 2.019 178.633 176.600 0.023 0.000 0.984 390 E CA 1.204 57.624 56.400 0.032 0.000 0.806 390 E CB -0.072 29.648 29.700 0.033 0.000 0.750 390 E HN 0.658 nan 8.360 nan 0.000 0.458 391 E N 1.068 121.282 120.200 0.022 0.000 2.107 391 E HA -0.095 4.254 4.350 -0.000 0.000 0.191 391 E C 1.818 178.428 176.600 0.016 0.000 0.982 391 E CA 1.193 57.605 56.400 0.019 0.000 0.809 391 E CB -0.163 29.549 29.700 0.021 0.000 0.756 391 E HN 0.215 nan 8.360 nan 0.000 0.459 392 A N 0.345 123.173 122.820 0.014 0.000 1.902 392 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 392 A C 2.281 179.868 177.584 0.005 0.000 1.181 392 A CA 1.767 53.810 52.037 0.009 0.000 0.623 392 A CB -0.513 18.491 19.000 0.006 0.000 0.818 392 A HN 0.346 nan 8.150 nan 0.000 0.443 393 M N -1.045 118.559 119.600 0.007 0.000 2.175 393 M HA -0.106 4.374 4.480 -0.000 0.000 0.264 393 M C 2.245 178.546 176.300 0.002 0.000 1.063 393 M CA 1.782 57.083 55.300 0.001 0.000 1.119 393 M CB -0.259 32.343 32.600 0.003 0.000 1.377 393 M HN 0.461 nan 8.290 nan 0.000 0.415 394 K N 0.521 120.925 120.400 0.007 0.000 2.097 394 K HA -0.143 4.177 4.320 -0.000 0.000 0.205 394 K C 1.548 178.152 176.600 0.006 0.000 1.050 394 K CA 1.110 57.401 56.287 0.007 0.000 0.938 394 K CB 0.175 32.681 32.500 0.011 0.000 0.718 394 K HN 0.210 nan 8.250 nan 0.000 0.442 395 E N -0.594 119.610 120.200 0.007 0.000 2.427 395 E HA -0.024 4.326 4.350 -0.000 0.000 0.196 395 E C 0.998 177.600 176.600 0.004 0.000 1.028 395 E CA 0.863 57.268 56.400 0.007 0.000 0.864 395 E CB 0.409 30.115 29.700 0.011 0.000 0.813 395 E HN 0.609 nan 8.360 nan 0.000 0.514 396 G N 1.377 110.177 108.800 0.000 0.000 2.148 396 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.254 396 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.254 396 G C 1.082 175.979 174.900 -0.005 0.000 0.981 396 G CA 0.629 45.727 45.100 -0.004 0.000 0.670 396 G HN 0.345 nan 8.290 nan 0.000 0.528 397 V N -2.808 117.104 119.914 -0.003 0.000 3.608 397 V HA 0.739 4.859 4.120 -0.000 0.000 0.269 397 V C 1.372 177.460 176.094 -0.012 0.000 1.245 397 V CA 0.895 63.193 62.300 -0.003 0.000 1.138 397 V CB 0.023 31.848 31.823 0.004 0.000 0.841 397 V HN 1.629 nan 8.190 nan 0.000 0.451 398 A N 0.893 123.703 122.820 -0.017 0.000 2.409 398 A HA 0.565 4.885 4.320 -0.000 0.000 0.262 398 A C 1.106 178.663 177.584 -0.046 0.000 1.113 398 A CA -0.355 51.664 52.037 -0.029 0.000 0.790 398 A CB 0.271 19.257 19.000 -0.024 0.000 1.046 398 A HN 0.505 nan 8.150 nan 0.000 0.496 399 R N 0.627 121.084 120.500 -0.071 0.000 2.312 399 R HA 0.079 4.419 4.340 -0.000 0.000 0.205 399 R C -0.201 176.031 176.300 -0.113 0.000 0.904 399 R CA 1.039 57.086 56.100 -0.088 0.000 1.052 399 R CB 0.370 30.608 30.300 -0.102 0.000 1.014 399 R HN 0.791 nan 8.270 nan 0.000 0.503 400 T N -1.513 112.968 114.554 -0.121 0.000 3.008 400 T HA 0.248 4.598 4.350 -0.000 0.000 0.328 400 T C -0.638 173.989 174.700 -0.121 0.000 1.020 400 T CA -0.909 61.108 62.100 -0.139 0.000 1.043 400 T CB 1.566 70.322 68.868 -0.186 0.000 1.010 400 T HN -0.090 nan 8.240 nan 0.000 0.466 401 K N 3.074 123.411 120.400 -0.106 0.000 2.412 401 K HA 0.468 4.788 4.320 -0.000 0.000 0.281 401 K C -0.109 176.416 176.600 -0.126 0.000 1.027 401 K CA -0.352 55.882 56.287 -0.089 0.000 0.989 401 K CB 0.330 32.788 32.500 -0.070 0.000 0.935 401 K HN 0.717 nan 8.250 nan 0.000 0.475 402 V N 0.138 119.994 119.914 -0.097 0.000 3.178 402 V HA 0.421 4.541 4.120 -0.000 0.000 0.302 402 V C -1.134 174.956 176.094 -0.008 0.000 1.262 402 V CA -1.335 60.890 62.300 -0.126 0.000 1.030 402 V CB 1.560 33.253 31.823 -0.217 0.000 1.074 402 V HN 0.727 nan 8.190 nan 0.000 0.438 403 K N 1.699 122.117 120.400 0.031 0.000 2.326 403 K HA 0.396 4.716 4.320 -0.000 0.000 0.275 403 K C 1.423 178.119 176.600 0.160 0.000 1.018 403 K CA 0.434 56.776 56.287 0.091 0.000 0.962 403 K CB 1.224 33.786 32.500 0.102 0.000 0.953 403 K HN 1.043 nan 8.250 nan 0.000 0.475 404 G N 2.648 111.516 108.800 0.114 0.000 2.442 404 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.219 404 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.219 404 G C 1.032 176.010 174.900 0.130 0.000 1.141 404 G CA 0.683 45.853 45.100 0.116 0.000 0.763 404 G HN 0.725 nan 8.290 nan 0.000 0.554 405 E N -0.845 119.428 120.200 0.121 0.000 2.153 405 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 405 E C 2.016 178.690 176.600 0.124 0.000 0.988 405 E CA 0.729 57.189 56.400 0.100 0.000 0.811 405 E CB -0.194 29.557 29.700 0.086 0.000 0.746 405 E HN 0.696 nan 8.360 nan 0.000 0.466 406 W N 1.079 122.394 121.300 0.026 0.000 2.381 406 W HA -0.198 4.462 4.660 -0.000 0.000 0.301 406 W C 1.979 178.537 176.519 0.065 0.000 1.205 406 W CA 1.149 58.511 57.345 0.028 0.000 1.285 406 W CB -0.190 29.267 29.460 -0.005 0.000 1.133 406 W HN -0.210 nan 8.180 nan 0.000 0.521 407 V N 0.748 120.823 119.914 0.268 0.000 2.343 407 V HA -0.345 3.775 4.120 -0.000 0.000 0.247 407 V C 2.208 178.290 176.094 -0.020 0.000 1.051 407 V CA 2.439 64.827 62.300 0.146 0.000 1.036 407 V CB -1.112 30.850 31.823 0.231 0.000 0.654 407 V HN 0.312 nan 8.190 nan 0.000 0.451 408 E N 0.181 120.382 120.200 0.002 0.000 2.051 408 E HA -0.267 4.083 4.350 -0.000 0.000 0.192 408 E C 2.200 178.754 176.600 -0.076 0.000 0.991 408 E CA 1.733 58.123 56.400 -0.017 0.000 0.799 408 E CB -0.097 29.608 29.700 0.007 0.000 0.748 408 E HN 0.712 nan 8.360 nan 0.000 0.449 409 E N -0.624 119.498 120.200 -0.129 0.000 2.106 409 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 409 E C 2.098 178.556 176.600 -0.236 0.000 0.984 409 E CA 0.970 57.271 56.400 -0.165 0.000 0.806 409 E CB -0.241 29.356 29.700 -0.171 0.000 0.750 409 E HN 0.449 nan 8.360 nan 0.000 0.458 410 H N 0.280 119.001 119.070 -0.581 0.000 2.353 410 H HA -0.093 4.463 4.556 -0.000 0.000 0.300 410 H C 1.717 176.873 175.328 -0.287 0.000 1.090 410 H CA 1.605 57.273 56.048 -0.634 0.000 1.327 410 H CB 0.343 29.424 29.762 -1.134 0.000 1.383 410 H HN 0.075 nan 8.280 nan 0.000 0.508 411 T N 1.761 116.170 114.554 -0.242 0.000 2.746 411 T HA -0.118 4.232 4.350 -0.000 0.000 0.267 411 T C 2.126 176.756 174.700 -0.117 0.000 1.039 411 T CA 1.150 63.142 62.100 -0.180 0.000 1.142 411 T CB -0.048 68.794 68.868 -0.043 0.000 0.866 411 T HN 0.244 nan 8.240 nan 0.000 0.444 412 I N 1.203 121.724 120.570 -0.082 0.000 2.252 412 I HA -0.059 4.111 4.170 -0.000 0.000 0.245 412 I C 2.611 178.706 176.117 -0.037 0.000 1.102 412 I CA 1.221 62.498 61.300 -0.038 0.000 1.385 412 I CB -0.983 37.002 38.000 -0.026 0.000 1.064 412 I HN 0.101 nan 8.210 nan 0.000 0.414 413 R N 1.315 121.776 120.500 -0.066 0.000 2.096 413 R HA -0.080 4.260 4.340 -0.000 0.000 0.235 413 R C 2.203 178.508 176.300 0.007 0.000 1.127 413 R CA 1.271 57.358 56.100 -0.023 0.000 0.968 413 R CB -0.791 29.491 30.300 -0.032 0.000 0.861 413 R HN 0.315 nan 8.270 nan 0.000 0.440 414 L N -0.449 120.721 121.223 -0.088 0.000 2.083 414 L HA -0.118 4.221 4.340 -0.000 0.000 0.209 414 L C 2.225 179.158 176.870 0.106 0.000 1.083 414 L CA 1.238 56.060 54.840 -0.029 0.000 0.752 414 L CB -0.325 41.620 42.059 -0.189 0.000 0.899 414 L HN 0.178 nan 8.230 nan 0.000 0.433 415 I N -0.500 120.088 120.570 0.031 0.000 2.315 415 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 415 I C 2.351 178.519 176.117 0.085 0.000 1.117 415 I CA 1.205 62.524 61.300 0.033 0.000 1.404 415 I CB -0.248 37.744 38.000 -0.013 0.000 1.071 415 I HN 0.290 nan 8.210 nan 0.000 0.419 416 E N 0.450 120.699 120.200 0.082 0.000 2.106 416 E HA -0.235 4.115 4.350 -0.000 0.000 0.192 416 E C 2.055 178.722 176.600 0.111 0.000 0.984 416 E CA 1.184 57.632 56.400 0.079 0.000 0.806 416 E CB -0.190 29.549 29.700 0.065 0.000 0.750 416 E HN 0.417 nan 8.360 nan 0.000 0.458 417 F N 0.764 120.723 119.950 0.015 0.000 2.134 417 F HA -0.263 4.264 4.527 -0.000 0.000 0.299 417 F C 2.159 177.961 175.800 0.003 0.000 1.097 417 F CA 1.404 59.408 58.000 0.007 0.000 1.264 417 F CB -0.416 38.589 39.000 0.008 0.000 1.001 417 F HN -0.013 nan 8.300 nan 0.000 0.479 418 Y N 0.882 121.142 120.300 -0.066 0.000 2.145 418 Y HA -0.256 4.294 4.550 -0.000 0.000 0.286 418 Y C 2.586 178.362 175.900 -0.207 0.000 1.145 418 Y CA 2.221 60.215 58.100 -0.177 0.000 1.148 418 Y CB -0.513 37.889 38.460 -0.095 0.000 0.981 418 Y HN 0.221 nan 8.280 nan 0.000 0.507 419 E N 0.297 120.539 120.200 0.070 0.000 2.077 419 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 419 E C 1.711 178.253 176.600 -0.097 0.000 0.989 419 E CA 1.941 58.350 56.400 0.015 0.000 0.800 419 E CB -0.293 29.426 29.700 0.031 0.000 0.746 419 E HN 0.453 nan 8.360 nan 0.000 0.452 420 N N -0.802 117.821 118.700 -0.128 0.000 2.300 420 N HA -0.061 4.679 4.740 -0.000 0.000 0.179 420 N C 1.488 176.855 175.510 -0.239 0.000 1.016 420 N CA 1.368 54.334 53.050 -0.141 0.000 0.876 420 N CB 0.225 38.665 38.487 -0.079 0.000 0.979 420 N HN 0.134 nan 8.380 nan 0.000 0.432 421 V N 0.240 119.884 119.914 -0.449 0.000 2.911 421 V HA 0.192 4.312 4.120 -0.000 0.000 0.237 421 V C 2.045 177.828 176.094 -0.518 0.000 1.156 421 V CA 0.199 62.186 62.300 -0.522 0.000 1.180 421 V CB 0.140 31.455 31.823 -0.846 0.000 0.932 421 V HN 0.031 nan 8.190 nan 0.000 0.483 422 I N 1.131 121.270 120.570 -0.718 0.000 2.277 422 I HA -0.093 4.077 4.170 -0.000 0.000 0.243 422 I C 2.766 178.558 176.117 -0.542 0.000 1.094 422 I CA 1.367 62.244 61.300 -0.705 0.000 1.393 422 I CB -0.574 36.731 38.000 -1.158 0.000 1.078 422 I HN 0.274 nan 8.210 nan 0.000 0.417 423 A N 1.657 124.174 122.820 -0.505 0.000 1.892 423 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 423 A C 0.068 177.569 177.584 -0.137 0.000 1.188 423 A CA 2.017 53.932 52.037 -0.204 0.000 0.631 423 A CB -2.008 16.954 19.000 -0.063 0.000 0.822 423 A HN 0.276 nan 8.150 nan 0.000 0.447 424 P HA -0.113 nan 4.420 nan 0.000 0.218 424 P C 1.351 178.601 177.300 -0.084 0.000 1.149 424 P CA 0.845 63.888 63.100 -0.095 0.000 0.817 424 P CB -0.122 31.518 31.700 -0.099 0.000 0.785 425 I N -0.545 119.951 120.570 -0.123 0.000 2.208 425 I HA -0.268 3.901 4.170 -0.000 0.000 0.245 425 I C 1.753 177.834 176.117 -0.059 0.000 1.097 425 I CA 1.451 62.694 61.300 -0.095 0.000 1.363 425 I CB -0.595 37.325 38.000 -0.133 0.000 1.051 425 I HN -0.003 nan 8.210 nan 0.000 0.413 426 N N 0.528 119.186 118.700 -0.070 0.000 2.459 426 N HA -0.090 4.650 4.740 -0.000 0.000 0.181 426 N C 1.665 177.169 175.510 -0.010 0.000 1.046 426 N CA 0.726 53.755 53.050 -0.034 0.000 0.904 426 N CB -0.016 38.453 38.487 -0.030 0.000 0.964 426 N HN 0.334 nan 8.380 nan 0.000 0.444 427 K N 1.390 121.783 120.400 -0.012 0.000 2.044 427 K HA 0.053 4.373 4.320 -0.000 0.000 0.204 427 K C 1.796 178.408 176.600 0.019 0.000 1.049 427 K CA 0.722 57.010 56.287 0.001 0.000 0.945 427 K CB -0.105 32.391 32.500 -0.007 0.000 0.724 427 K HN 0.186 nan 8.250 nan 0.000 0.440 428 K N 0.766 121.183 120.400 0.028 0.000 2.147 428 K HA -0.098 4.222 4.320 -0.000 0.000 0.205 428 K C 2.202 178.903 176.600 0.168 0.000 1.049 428 K CA 0.839 57.173 56.287 0.077 0.000 0.936 428 K CB -0.080 32.466 32.500 0.077 0.000 0.722 428 K HN 0.059 nan 8.250 nan 0.000 0.446 429 R N 1.562 122.136 120.500 0.123 0.000 2.127 429 R HA -0.128 4.212 4.340 -0.000 0.000 0.238 429 R C 1.976 178.395 176.300 0.198 0.000 1.134 429 R CA 1.270 57.471 56.100 0.168 0.000 0.975 429 R CB 0.009 30.349 30.300 0.067 0.000 0.865 429 R HN 0.151 nan 8.270 nan 0.000 0.447 430 R N 0.166 120.725 120.500 0.098 0.000 2.127 430 R HA -0.116 4.224 4.340 -0.000 0.000 0.238 430 R C 1.834 178.150 176.300 0.027 0.000 1.134 430 R CA 1.324 57.455 56.100 0.051 0.000 0.975 430 R CB -0.131 30.178 30.300 0.015 0.000 0.865 430 R HN 0.251 nan 8.270 nan 0.000 0.447 431 E N -0.065 120.134 120.200 -0.002 0.000 2.338 431 E HA -0.155 4.195 4.350 -0.000 0.000 0.197 431 E C 1.265 177.680 176.600 -0.307 0.000 1.007 431 E CA 1.084 57.386 56.400 -0.163 0.000 0.849 431 E CB -0.046 29.500 29.700 -0.256 0.000 0.774 431 E HN 0.532 nan 8.360 nan 0.000 0.506 432 Y N -0.835 119.359 120.300 -0.176 0.000 2.523 432 Y HA 0.052 4.602 4.550 -0.000 0.000 0.279 432 Y C 2.234 177.968 175.900 -0.276 0.000 1.139 432 Y CA 0.668 58.544 58.100 -0.373 0.000 1.296 432 Y CB 0.677 38.737 38.460 -0.667 0.000 1.045 432 Y HN -0.053 nan 8.280 nan 0.000 0.538 433 S N -1.780 113.945 115.700 0.042 0.000 4.738 433 S HA -0.024 4.445 4.470 -0.000 0.000 0.176 433 S C 1.524 176.155 174.600 0.052 0.000 1.108 433 S CA 0.270 58.523 58.200 0.087 0.000 1.277 433 S CB -0.729 62.614 63.200 0.238 0.000 1.680 433 S HN 0.059 nan 8.310 nan 0.000 0.502 434 K N 2.407 122.839 120.400 0.053 0.000 2.000 434 K HA 0.116 4.436 4.320 -0.000 0.000 0.218 434 K C 0.769 177.374 176.600 0.007 0.000 1.053 434 K CA 1.916 58.215 56.287 0.020 0.000 0.946 434 K CB -0.700 31.801 32.500 0.002 0.000 0.723 434 K HN 0.506 nan 8.250 nan 0.000 0.446 435 A N 0.000 122.817 122.820 -0.005 0.000 2.254 435 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 435 A CA 0.000 52.027 52.037 -0.017 0.000 0.836 435 A CB 0.000 18.987 19.000 -0.021 0.000 0.831 435 A HN 0.000 nan 8.150 nan 0.000 0.486