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 1afr_1_D DATA FIRST_RESID 19 DATA SEQUENCE MPPREVHVQV THSMPPQKIE IFKSLDNWAE ENILVHLKPV EKCWQPQDFL DATA SEQUENCE PDPASDGFDE QVRELRERAK EIPDDYFVVL VGDMITEEAL PTYQTMLNTL DATA SEQUENCE DGVRDETGAS PTSWAIWTRA WTAEENRHGD LLNKYLYLSG RVDMRQIEKT DATA SEQUENCE IQYLIGSGMD PRTENSPYLG FIYTSFQERA TFISHGNTAR QAKEHGDIKL DATA SEQUENCE AQICGTIAAD EKRHETAYTK IVEKLFEIDP DGTVLAFADM MRKKISMPAH DATA SEQUENCE LMYDGRDDNL FDHFSAVAQR LGVYTAKDYA DILEFLVGRW KVDKLTGLSA DATA SEQUENCE EGQKAQDYVC RLPPRIRRLE ERAQGRAKEA PTMPFSWIFD RQVKL 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 19 M HA 0.000 nan 4.480 nan 0.000 0.227 19 M C 0.000 175.838 176.300 -0.770 0.000 1.140 19 M CA 0.000 55.151 55.300 -0.248 0.000 0.988 19 M CB 0.000 32.511 32.600 -0.147 0.000 1.302 20 P HA 0.390 nan 4.420 nan 0.000 0.275 20 P C -2.638 174.404 177.300 -0.429 0.000 1.227 20 P CA -0.640 62.026 63.100 -0.724 0.000 0.781 20 P CB -0.386 31.167 31.700 -0.245 0.000 0.906 21 P HA 0.254 nan 4.420 nan 0.000 0.271 21 P C -0.141 177.074 177.300 -0.142 0.000 1.216 21 P CA 0.006 62.979 63.100 -0.211 0.000 0.771 21 P CB 0.773 32.381 31.700 -0.153 0.000 0.864 22 R N 1.182 121.622 120.500 -0.100 0.000 2.797 22 R HA 0.368 4.707 4.340 -0.001 0.000 0.251 22 R C 0.063 176.344 176.300 -0.033 0.000 1.107 22 R CA -0.982 55.079 56.100 -0.065 0.000 1.084 22 R CB 0.831 31.100 30.300 -0.051 0.000 1.205 22 R HN 0.427 nan 8.270 nan 0.000 0.515 23 E N 1.544 121.744 120.200 0.001 0.000 2.392 23 E HA 0.000 4.349 4.350 -0.001 0.000 0.264 23 E C 0.773 177.359 176.600 -0.023 0.000 1.024 23 E CA 0.138 56.569 56.400 0.051 0.000 0.903 23 E CB 1.184 30.936 29.700 0.088 0.000 0.963 23 E HN 0.473 nan 8.360 nan 0.000 0.432 24 V N -0.141 119.702 119.914 -0.118 0.000 3.647 24 V HA 0.149 4.268 4.120 -0.001 0.000 0.279 24 V C 0.254 176.138 176.094 -0.350 0.000 1.314 24 V CA 0.198 62.345 62.300 -0.255 0.000 1.125 24 V CB -0.700 30.929 31.823 -0.324 0.000 0.907 24 V HN 0.440 nan 8.190 nan 0.000 0.434 25 H N 0.378 119.451 119.070 0.006 0.000 2.533 25 H HA 0.678 5.233 4.556 -0.001 0.000 0.343 25 H C -0.059 175.262 175.328 -0.011 0.000 1.160 25 H CA -0.436 55.609 56.048 -0.005 0.000 1.218 25 H CB 1.829 31.585 29.762 -0.011 0.000 1.566 25 H HN 0.193 nan 8.280 nan 0.000 0.522 26 V N 0.363 120.347 119.914 0.116 0.000 2.655 26 V HA 0.013 4.132 4.120 -0.001 0.000 0.300 26 V C 0.610 176.726 176.094 0.036 0.000 1.044 26 V CA -0.759 61.572 62.300 0.051 0.000 1.095 26 V CB 0.823 32.664 31.823 0.030 0.000 0.952 26 V HN 0.856 nan 8.190 nan 0.000 0.485 27 Q N 3.571 123.381 119.800 0.017 0.000 2.409 27 Q HA 0.246 4.585 4.340 -0.001 0.000 0.240 27 Q C -0.866 175.124 176.000 -0.016 0.000 1.226 27 Q CA -0.258 55.543 55.803 -0.003 0.000 0.895 27 Q CB 0.636 29.371 28.738 -0.004 0.000 1.491 27 Q HN 0.806 nan 8.270 nan 0.000 0.509 28 V N 4.389 124.284 119.914 -0.032 0.000 2.465 28 V HA 0.332 4.451 4.120 -0.001 0.000 0.279 28 V C 0.424 176.477 176.094 -0.069 0.000 1.045 28 V CA -0.235 62.041 62.300 -0.039 0.000 0.938 28 V CB 1.305 33.100 31.823 -0.047 0.000 0.986 28 V HN 0.856 nan 8.190 nan 0.000 0.467 29 T N 0.776 115.301 114.554 -0.048 0.000 2.893 29 T HA 0.498 4.848 4.350 -0.001 0.000 0.291 29 T C -0.185 174.499 174.700 -0.028 0.000 1.028 29 T CA -0.520 61.513 62.100 -0.113 0.000 0.995 29 T CB 1.173 70.008 68.868 -0.056 0.000 1.051 29 T HN 0.854 nan 8.240 nan 0.000 0.470 30 H N 0.879 119.902 119.070 -0.079 0.000 2.748 30 H HA -0.163 4.392 4.556 -0.001 0.000 0.322 30 H C 1.228 176.505 175.328 -0.084 0.000 1.208 30 H CA 0.775 56.773 56.048 -0.083 0.000 1.151 30 H CB -1.874 27.847 29.762 -0.069 0.000 1.505 30 H HN 0.918 nan 8.280 nan 0.000 0.429 31 S N -1.013 114.665 115.700 -0.038 0.000 2.561 31 S HA 0.036 4.505 4.470 -0.001 0.000 0.225 31 S C 1.040 175.593 174.600 -0.079 0.000 0.977 31 S CA -0.025 58.142 58.200 -0.055 0.000 0.926 31 S CB 0.483 63.636 63.200 -0.079 0.000 0.769 31 S HN 0.441 nan 8.310 nan 0.000 0.533 32 M N 2.813 122.364 119.600 -0.081 0.000 2.144 32 M HA 0.417 4.896 4.480 -0.001 0.000 0.356 32 M C -2.912 173.344 176.300 -0.073 0.000 1.217 32 M CA -2.029 53.202 55.300 -0.116 0.000 1.087 32 M CB 0.918 33.443 32.600 -0.126 0.000 1.609 32 M HN -0.112 nan 8.290 nan 0.000 0.467 33 P HA 0.105 nan 4.420 nan 0.000 0.260 33 P C -2.270 175.013 177.300 -0.029 0.000 1.185 33 P CA -0.617 62.448 63.100 -0.059 0.000 0.763 33 P CB -0.023 31.633 31.700 -0.075 0.000 0.776 34 P HA -0.271 nan 4.420 nan 0.000 0.218 34 P C 1.458 178.765 177.300 0.012 0.000 1.147 34 P CA 1.418 64.514 63.100 -0.005 0.000 0.827 34 P CB -0.209 31.480 31.700 -0.017 0.000 0.778 35 Q N -0.004 119.799 119.800 0.006 0.000 2.119 35 Q HA -0.134 4.205 4.340 -0.001 0.000 0.201 35 Q C 1.632 177.657 176.000 0.041 0.000 0.972 35 Q CA 1.249 57.061 55.803 0.015 0.000 0.847 35 Q CB -0.789 27.949 28.738 -0.000 0.000 0.903 35 Q HN 0.257 nan 8.270 nan 0.000 0.433 36 K N 0.612 121.043 120.400 0.052 0.000 2.442 36 K HA 0.030 4.349 4.320 -0.001 0.000 0.198 36 K C 1.922 178.663 176.600 0.235 0.000 1.042 36 K CA 0.598 56.959 56.287 0.123 0.000 0.958 36 K CB -0.037 32.528 32.500 0.108 0.000 0.766 36 K HN 0.299 nan 8.250 nan 0.000 0.474 37 I N 1.296 121.971 120.570 0.175 0.000 2.361 37 I HA -0.232 3.937 4.170 -0.001 0.000 0.251 37 I C 1.878 178.131 176.117 0.227 0.000 1.133 37 I CA 0.995 62.418 61.300 0.206 0.000 1.413 37 I CB -0.132 37.920 38.000 0.086 0.000 1.073 37 I HN 0.124 nan 8.210 nan 0.000 0.424 38 E N 0.878 121.162 120.200 0.139 0.000 2.204 38 E HA -0.156 4.193 4.350 -0.001 0.000 0.195 38 E C 2.205 178.854 176.600 0.081 0.000 0.990 38 E CA 1.041 57.504 56.400 0.105 0.000 0.821 38 E CB -0.245 29.492 29.700 0.062 0.000 0.750 38 E HN 0.560 nan 8.360 nan 0.000 0.477 39 I N 0.024 120.614 120.570 0.033 0.000 2.264 39 I HA -0.268 3.901 4.170 -0.001 0.000 0.248 39 I C 1.939 177.921 176.117 -0.225 0.000 1.111 39 I CA 1.150 62.361 61.300 -0.149 0.000 1.382 39 I CB -0.318 37.499 38.000 -0.306 0.000 1.060 39 I HN 0.002 nan 8.210 nan 0.000 0.418 40 F N 0.842 120.816 119.950 0.040 0.000 2.234 40 F HA -0.078 4.448 4.527 -0.001 0.000 0.296 40 F C 2.437 178.413 175.800 0.293 0.000 1.089 40 F CA 0.880 58.939 58.000 0.098 0.000 1.343 40 F CB -0.380 38.506 39.000 -0.190 0.000 1.040 40 F HN -0.160 nan 8.300 nan 0.000 0.498 41 K N 0.334 120.931 120.400 0.329 0.000 2.097 41 K HA -0.080 4.240 4.320 -0.001 0.000 0.206 41 K C 2.153 178.892 176.600 0.231 0.000 1.049 41 K CA 1.350 57.804 56.287 0.278 0.000 0.933 41 K CB -0.901 31.705 32.500 0.177 0.000 0.717 41 K HN 0.184 nan 8.250 nan 0.000 0.442 42 S N 1.718 117.514 115.700 0.159 0.000 2.345 42 S HA -0.037 4.433 4.470 -0.001 0.000 0.220 42 S C 1.998 176.681 174.600 0.138 0.000 1.031 42 S CA 0.842 59.105 58.200 0.105 0.000 0.996 42 S CB -0.321 62.900 63.200 0.034 0.000 0.882 42 S HN 0.199 nan 8.310 nan 0.000 0.445 43 L N 2.324 123.646 121.223 0.166 0.000 2.651 43 L HA -0.143 4.196 4.340 -0.001 0.000 0.236 43 L C 2.299 179.345 176.870 0.295 0.000 1.173 43 L CA 0.660 55.645 54.840 0.242 0.000 0.843 43 L CB -0.707 41.486 42.059 0.224 0.000 0.964 43 L HN 0.426 nan 8.230 nan 0.000 0.454 44 D N 0.905 121.454 120.400 0.248 0.000 2.126 44 D HA -0.256 4.383 4.640 -0.001 0.000 0.190 44 D C 1.570 177.835 176.300 -0.059 0.000 1.001 44 D CA 1.682 55.699 54.000 0.028 0.000 0.841 44 D CB 0.104 40.968 40.800 0.108 0.000 0.949 44 D HN 0.429 nan 8.370 nan 0.000 0.446 45 N N -0.117 118.604 118.700 0.034 0.000 2.142 45 N HA -0.162 4.577 4.740 -0.001 0.000 0.186 45 N C 1.773 177.288 175.510 0.008 0.000 1.023 45 N CA 0.859 53.913 53.050 0.008 0.000 0.852 45 N CB -0.777 37.732 38.487 0.038 0.000 0.998 45 N HN 0.481 nan 8.380 nan 0.000 0.424 46 W N 2.276 123.511 121.300 -0.108 0.000 2.363 46 W HA -0.080 4.579 4.660 -0.001 0.000 0.296 46 W C 2.308 178.718 176.519 -0.182 0.000 1.212 46 W CA 2.056 59.334 57.345 -0.112 0.000 1.260 46 W CB -0.208 29.207 29.460 -0.076 0.000 1.131 46 W HN 0.056 nan 8.180 nan 0.000 0.530 47 A N 0.060 122.764 122.820 -0.192 0.000 1.930 47 A HA -0.213 4.106 4.320 -0.001 0.000 0.217 47 A C 1.937 179.193 177.584 -0.546 0.000 1.175 47 A CA 1.744 53.416 52.037 -0.608 0.000 0.627 47 A CB -1.031 17.425 19.000 -0.906 0.000 0.815 47 A HN 0.534 nan 8.150 nan 0.000 0.443 48 E N -0.172 119.806 120.200 -0.370 0.000 2.268 48 E HA -0.183 4.166 4.350 -0.001 0.000 0.195 48 E C 1.641 178.084 176.600 -0.262 0.000 0.995 48 E CA 1.304 57.548 56.400 -0.260 0.000 0.836 48 E CB -0.039 29.561 29.700 -0.167 0.000 0.763 48 E HN 0.767 nan 8.360 nan 0.000 0.491 49 E N -0.619 119.380 120.200 -0.334 0.000 2.251 49 E HA 0.069 4.419 4.350 -0.001 0.000 0.194 49 E C 1.375 177.719 176.600 -0.425 0.000 0.964 49 E CA 0.338 56.545 56.400 -0.322 0.000 0.868 49 E CB 0.304 29.846 29.700 -0.262 0.000 0.828 49 E HN 0.279 nan 8.360 nan 0.000 0.481 50 N N -0.157 118.144 118.700 -0.664 0.000 2.273 50 N HA 0.088 4.828 4.740 -0.001 0.000 0.192 50 N C 1.169 176.366 175.510 -0.521 0.000 1.132 50 N CA 0.189 52.843 53.050 -0.660 0.000 0.887 50 N CB 1.035 38.928 38.487 -0.991 0.000 1.048 50 N HN 0.042 nan 8.380 nan 0.000 0.490 51 I N 1.315 121.548 120.570 -0.562 0.000 2.962 51 I HA 0.054 4.224 4.170 -0.001 0.000 0.246 51 I C 2.080 178.074 176.117 -0.205 0.000 1.091 51 I CA 0.531 61.586 61.300 -0.408 0.000 1.469 51 I CB -1.079 36.520 38.000 -0.669 0.000 1.324 51 I HN -0.015 nan 8.210 nan 0.000 0.461 52 L N 1.824 122.933 121.223 -0.191 0.000 2.551 52 L HA -0.114 4.225 4.340 -0.001 0.000 0.230 52 L C 2.273 179.132 176.870 -0.019 0.000 1.163 52 L CA 0.657 55.500 54.840 0.006 0.000 0.826 52 L CB -0.746 41.294 42.059 -0.031 0.000 0.943 52 L HN 0.218 nan 8.230 nan 0.000 0.452 53 V N -5.202 114.612 119.914 -0.166 0.000 3.306 53 V HA -0.100 4.019 4.120 -0.001 0.000 0.264 53 V C 1.954 177.921 176.094 -0.211 0.000 1.149 53 V CA 0.861 63.028 62.300 -0.222 0.000 1.143 53 V CB -0.818 30.798 31.823 -0.344 0.000 0.767 53 V HN 0.424 nan 8.190 nan 0.000 0.476 54 H N 0.528 119.624 119.070 0.044 0.000 2.539 54 H HA 0.412 4.967 4.556 -0.001 0.000 0.267 54 H C 0.571 176.026 175.328 0.212 0.000 0.982 54 H CA 0.076 56.194 56.048 0.116 0.000 1.146 54 H CB 0.290 30.123 29.762 0.118 0.000 1.382 54 H HN 0.402 nan 8.280 nan 0.000 0.577 55 L N 1.658 123.046 121.223 0.276 0.000 2.292 55 L HA 0.200 4.539 4.340 -0.001 0.000 0.284 55 L C 0.480 177.410 176.870 0.099 0.000 1.065 55 L CA -0.656 54.303 54.840 0.198 0.000 0.806 55 L CB 1.254 43.410 42.059 0.162 0.000 1.175 55 L HN -0.200 nan 8.230 nan 0.000 0.431 56 K N 5.645 126.089 120.400 0.072 0.000 2.297 56 K HA 0.296 4.615 4.320 -0.001 0.000 0.286 56 K C -2.249 174.355 176.600 0.007 0.000 1.053 56 K CA -1.498 54.813 56.287 0.039 0.000 0.940 56 K CB 0.763 33.287 32.500 0.039 0.000 1.019 56 K HN 0.177 nan 8.250 nan 0.000 0.475 57 P HA -0.046 nan 4.420 nan 0.000 0.271 57 P C 0.669 177.954 177.300 -0.026 0.000 1.216 57 P CA -0.226 62.868 63.100 -0.011 0.000 0.776 57 P CB 0.991 32.687 31.700 -0.006 0.000 0.881 58 V N 2.741 122.631 119.914 -0.040 0.000 2.277 58 V HA -0.277 3.843 4.120 -0.001 0.000 0.253 58 V C 2.437 178.504 176.094 -0.045 0.000 1.067 58 V CA 2.029 64.294 62.300 -0.058 0.000 1.047 58 V CB -1.040 30.750 31.823 -0.055 0.000 0.649 58 V HN 0.599 nan 8.190 nan 0.000 0.447 59 E N -0.174 120.010 120.200 -0.027 0.000 2.265 59 E HA -0.154 4.196 4.350 -0.001 0.000 0.196 59 E C 1.777 178.375 176.600 -0.004 0.000 0.996 59 E CA 0.882 57.272 56.400 -0.016 0.000 0.832 59 E CB -0.130 29.563 29.700 -0.011 0.000 0.756 59 E HN 0.606 nan 8.360 nan 0.000 0.491 60 K N -0.245 120.155 120.400 -0.001 0.000 2.440 60 K HA 0.176 4.495 4.320 -0.001 0.000 0.206 60 K C -0.192 176.429 176.600 0.035 0.000 1.025 60 K CA -0.249 56.050 56.287 0.020 0.000 1.135 60 K CB 0.572 33.085 32.500 0.022 0.000 0.856 60 K HN -0.057 nan 8.250 nan 0.000 0.502 61 C N 2.183 121.482 119.300 -0.001 0.000 2.366 61 C HA 0.422 4.882 4.460 -0.001 0.000 0.345 61 C C 0.227 175.223 174.990 0.009 0.000 1.209 61 C CA -1.278 57.714 59.018 -0.044 0.000 2.050 61 C CB 0.236 27.865 27.740 -0.184 0.000 2.359 61 C HN 0.569 nan 8.230 nan 0.000 0.527 62 W N 2.333 123.690 121.300 0.094 0.000 2.184 62 W HA 0.522 5.181 4.660 -0.001 0.000 0.338 62 W C -0.634 175.968 176.519 0.139 0.000 1.257 62 W CA -0.240 57.189 57.345 0.140 0.000 1.243 62 W CB 0.219 29.864 29.460 0.309 0.000 1.122 62 W HN 0.434 nan 8.180 nan 0.000 0.585 63 Q N 1.626 121.649 119.800 0.373 0.000 2.387 63 Q HA 0.264 4.604 4.340 -0.001 0.000 0.273 63 Q C -1.669 174.641 176.000 0.516 0.000 1.089 63 Q CA -2.275 53.648 55.803 0.200 0.000 0.824 63 Q CB 1.801 30.582 28.738 0.072 0.000 1.367 63 Q HN 0.091 nan 8.270 nan 0.000 0.443 64 P HA -0.259 nan 4.420 nan 0.000 0.217 64 P C 1.117 178.634 177.300 0.361 0.000 1.158 64 P CA 1.663 65.056 63.100 0.487 0.000 0.887 64 P CB 0.454 32.327 31.700 0.288 0.000 0.792 65 Q N -0.368 119.561 119.800 0.216 0.000 2.368 65 Q HA -0.183 4.156 4.340 -0.001 0.000 0.210 65 Q C 1.270 177.312 176.000 0.070 0.000 0.982 65 Q CA 1.543 57.426 55.803 0.134 0.000 0.884 65 Q CB -1.136 27.648 28.738 0.077 0.000 0.933 65 Q HN 0.239 nan 8.270 nan 0.000 0.460 66 D N -1.259 119.156 120.400 0.025 0.000 2.312 66 D HA -0.094 4.545 4.640 -0.001 0.000 0.211 66 D C 0.088 176.041 176.300 -0.579 0.000 0.964 66 D CA 0.782 54.598 54.000 -0.307 0.000 0.877 66 D CB 0.082 40.597 40.800 -0.475 0.000 0.924 66 D HN 0.355 nan 8.370 nan 0.000 0.515 67 F N -0.232 119.766 119.950 0.080 0.000 2.724 67 F HA 0.325 4.851 4.527 -0.001 0.000 0.310 67 F C 0.449 176.297 175.800 0.079 0.000 1.107 67 F CA -0.260 57.760 58.000 0.034 0.000 1.218 67 F CB 0.527 39.499 39.000 -0.047 0.000 1.042 67 F HN -0.282 nan 8.300 nan 0.000 0.540 68 L N 0.009 121.362 121.223 0.217 0.000 2.333 68 L HA 0.583 4.922 4.340 -0.001 0.000 0.263 68 L C -2.388 174.594 176.870 0.186 0.000 1.014 68 L CA -2.324 52.648 54.840 0.220 0.000 0.820 68 L CB 1.755 43.953 42.059 0.232 0.000 1.352 68 L HN -0.285 nan 8.230 nan 0.000 0.421 69 P HA -0.037 nan 4.420 nan 0.000 0.266 69 P C -1.167 176.325 177.300 0.320 0.000 1.195 69 P CA 0.006 63.252 63.100 0.244 0.000 0.768 69 P CB 0.372 32.195 31.700 0.205 0.000 0.838 70 D N 4.026 124.594 120.400 0.280 0.000 2.380 70 D HA 0.084 4.723 4.640 -0.001 0.000 0.230 70 D C -1.395 174.964 176.300 0.098 0.000 1.154 70 D CA -2.327 51.769 54.000 0.159 0.000 0.859 70 D CB 0.634 41.489 40.800 0.093 0.000 1.045 70 D HN 0.184 nan 8.370 nan 0.000 0.495 71 P HA -0.046 nan 4.420 nan 0.000 0.226 71 P C 0.458 177.503 177.300 -0.424 0.000 1.153 71 P CA 0.405 63.028 63.100 -0.796 0.000 0.777 71 P CB 0.342 31.661 31.700 -0.634 0.000 0.794 72 A N -0.877 121.833 122.820 -0.183 0.000 2.507 72 A HA 0.340 4.659 4.320 -0.001 0.000 0.270 72 A C 0.870 178.428 177.584 -0.042 0.000 1.318 72 A CA -0.099 51.874 52.037 -0.107 0.000 0.924 72 A CB -0.372 18.583 19.000 -0.075 0.000 1.061 72 A HN 0.203 nan 8.150 nan 0.000 0.516 73 S N -1.143 114.553 115.700 -0.007 0.000 2.607 73 S HA 0.405 4.874 4.470 -0.001 0.000 0.303 73 S C 0.075 174.722 174.600 0.078 0.000 1.086 73 S CA -0.504 57.722 58.200 0.043 0.000 0.995 73 S CB 1.127 64.369 63.200 0.071 0.000 1.084 73 S HN 0.253 nan 8.310 nan 0.000 0.507 74 D N 2.554 122.992 120.400 0.064 0.000 2.312 74 D HA 0.092 4.731 4.640 -0.001 0.000 0.211 74 D C 1.562 177.917 176.300 0.092 0.000 0.964 74 D CA 0.899 54.941 54.000 0.070 0.000 0.877 74 D CB -0.288 40.538 40.800 0.044 0.000 0.924 74 D HN 0.684 nan 8.370 nan 0.000 0.515 75 G N -0.497 108.362 108.800 0.098 0.000 3.233 75 G HA2 -0.093 3.867 3.960 -0.001 0.000 0.227 75 G HA3 -0.093 3.867 3.960 -0.001 0.000 0.227 75 G C 1.014 175.993 174.900 0.131 0.000 1.175 75 G CA -0.407 44.747 45.100 0.090 0.000 0.781 75 G HN 0.087 nan 8.290 nan 0.000 0.542 76 F N 2.242 122.203 119.950 0.017 0.000 2.043 76 F HA -0.148 4.379 4.527 -0.000 0.000 0.297 76 F C 2.028 177.842 175.800 0.023 0.000 1.121 76 F CA 1.899 59.913 58.000 0.023 0.000 1.199 76 F CB -0.119 38.895 39.000 0.024 0.000 0.968 76 F HN 0.137 nan 8.300 nan 0.000 0.478 77 D N 0.315 120.670 120.400 -0.074 0.000 2.106 77 D HA -0.257 4.382 4.640 -0.001 0.000 0.191 77 D C 2.178 178.379 176.300 -0.166 0.000 0.997 77 D CA 2.041 55.928 54.000 -0.188 0.000 0.834 77 D CB -0.777 40.005 40.800 -0.028 0.000 0.956 77 D HN 0.700 nan 8.370 nan 0.000 0.448 78 E N 0.670 120.826 120.200 -0.074 0.000 2.150 78 E HA -0.202 4.147 4.350 -0.001 0.000 0.193 78 E C 1.957 178.517 176.600 -0.067 0.000 0.985 78 E CA 0.847 57.214 56.400 -0.056 0.000 0.814 78 E CB -0.350 29.339 29.700 -0.019 0.000 0.752 78 E HN 0.322 nan 8.360 nan 0.000 0.466 79 Q N 0.777 120.533 119.800 -0.073 0.000 2.079 79 Q HA -0.100 4.240 4.340 -0.001 0.000 0.200 79 Q C 2.424 178.363 176.000 -0.102 0.000 0.974 79 Q CA 1.696 57.468 55.803 -0.052 0.000 0.840 79 Q CB 0.040 28.777 28.738 -0.001 0.000 0.898 79 Q HN 0.194 nan 8.270 nan 0.000 0.430 80 V N 0.797 120.565 119.914 -0.243 0.000 2.358 80 V HA -0.268 3.851 4.120 -0.001 0.000 0.246 80 V C 2.318 178.315 176.094 -0.162 0.000 1.047 80 V CA 1.960 64.102 62.300 -0.262 0.000 1.035 80 V CB -0.555 30.971 31.823 -0.495 0.000 0.658 80 V HN 0.319 nan 8.190 nan 0.000 0.452 81 R N 0.060 120.472 120.500 -0.147 0.000 2.083 81 R HA -0.202 4.137 4.340 -0.001 0.000 0.237 81 R C 2.308 178.573 176.300 -0.059 0.000 1.137 81 R CA 2.038 58.081 56.100 -0.095 0.000 0.951 81 R CB -0.243 30.011 30.300 -0.078 0.000 0.851 81 R HN 0.583 nan 8.270 nan 0.000 0.434 82 E N 0.578 120.752 120.200 -0.044 0.000 2.051 82 E HA -0.225 4.124 4.350 -0.001 0.000 0.192 82 E C 2.122 178.726 176.600 0.006 0.000 0.991 82 E CA 1.314 57.706 56.400 -0.014 0.000 0.799 82 E CB -0.196 29.502 29.700 -0.003 0.000 0.748 82 E HN 0.373 nan 8.360 nan 0.000 0.449 83 L N 1.092 122.320 121.223 0.009 0.000 2.043 83 L HA -0.254 4.085 4.340 -0.001 0.000 0.212 83 L C 2.409 179.298 176.870 0.032 0.000 1.075 83 L CA 1.552 56.424 54.840 0.054 0.000 0.752 83 L CB -0.041 42.045 42.059 0.044 0.000 0.891 83 L HN 0.030 nan 8.230 nan 0.000 0.432 84 R N -0.622 119.861 120.500 -0.028 0.000 2.115 84 R HA -0.103 4.236 4.340 -0.001 0.000 0.226 84 R C 2.085 178.374 176.300 -0.019 0.000 1.100 84 R CA 1.278 57.350 56.100 -0.046 0.000 0.980 84 R CB -0.205 30.044 30.300 -0.085 0.000 0.875 84 R HN 0.519 nan 8.270 nan 0.000 0.445 85 E N 0.657 120.852 120.200 -0.010 0.000 2.046 85 E HA -0.126 4.223 4.350 -0.001 0.000 0.190 85 E C 2.068 178.680 176.600 0.020 0.000 0.982 85 E CA 0.899 57.298 56.400 -0.002 0.000 0.800 85 E CB 0.086 29.783 29.700 -0.006 0.000 0.756 85 E HN 0.249 nan 8.360 nan 0.000 0.449 86 R N 0.515 121.038 120.500 0.038 0.000 2.081 86 R HA -0.101 4.239 4.340 -0.001 0.000 0.235 86 R C 2.346 178.700 176.300 0.090 0.000 1.131 86 R CA 1.130 57.264 56.100 0.057 0.000 0.960 86 R CB -0.343 29.998 30.300 0.069 0.000 0.856 86 R HN 0.092 nan 8.270 nan 0.000 0.436 87 A N 1.418 124.318 122.820 0.133 0.000 2.076 87 A HA -0.184 4.135 4.320 -0.001 0.000 0.220 87 A C 1.804 179.483 177.584 0.160 0.000 1.160 87 A CA 1.327 53.503 52.037 0.232 0.000 0.653 87 A CB -0.246 18.875 19.000 0.203 0.000 0.801 87 A HN 0.225 nan 8.150 nan 0.000 0.455 88 K N -0.453 119.984 120.400 0.062 0.000 2.217 88 K HA -0.074 4.245 4.320 -0.001 0.000 0.202 88 K C 1.584 178.206 176.600 0.036 0.000 1.051 88 K CA 1.208 57.512 56.287 0.029 0.000 0.952 88 K CB -0.053 32.448 32.500 0.001 0.000 0.736 88 K HN 0.599 nan 8.250 nan 0.000 0.453 89 E N 0.447 120.668 120.200 0.035 0.000 2.427 89 E HA -0.013 4.336 4.350 -0.001 0.000 0.196 89 E C 0.039 176.608 176.600 -0.051 0.000 1.028 89 E CA 0.307 56.710 56.400 0.005 0.000 0.864 89 E CB 0.181 29.888 29.700 0.012 0.000 0.813 89 E HN 0.261 nan 8.360 nan 0.000 0.514 90 I N 3.587 124.151 120.570 -0.010 0.000 2.325 90 I HA 0.160 4.329 4.170 -0.001 0.000 0.291 90 I C -2.067 174.077 176.117 0.046 0.000 1.019 90 I CA -2.379 58.833 61.300 -0.148 0.000 1.302 90 I CB 0.839 38.752 38.000 -0.146 0.000 1.401 90 I HN -0.204 nan 8.210 nan 0.000 0.485 91 P HA 0.049 nan 4.420 nan 0.000 0.272 91 P C -0.246 177.202 177.300 0.247 0.000 1.223 91 P CA -0.162 62.968 63.100 0.051 0.000 0.784 91 P CB 1.124 32.800 31.700 -0.040 0.000 0.923 92 D N 0.800 121.337 120.400 0.227 0.000 2.221 92 D HA -0.163 4.477 4.640 -0.001 0.000 0.204 92 D C 1.322 177.753 176.300 0.219 0.000 0.982 92 D CA 1.261 55.417 54.000 0.260 0.000 0.857 92 D CB -0.275 40.623 40.800 0.164 0.000 0.934 92 D HN 0.444 nan 8.370 nan 0.000 0.475 93 D N -0.186 120.308 120.400 0.156 0.000 2.092 93 D HA -0.203 4.436 4.640 -0.001 0.000 0.193 93 D C 1.992 178.361 176.300 0.115 0.000 0.994 93 D CA 0.854 54.917 54.000 0.105 0.000 0.828 93 D CB -0.399 40.462 40.800 0.102 0.000 0.963 93 D HN 0.308 nan 8.370 nan 0.000 0.450 94 Y N 0.729 121.039 120.300 0.017 0.000 2.145 94 Y HA -0.248 4.302 4.550 -0.001 0.000 0.286 94 Y C 2.235 178.082 175.900 -0.088 0.000 1.145 94 Y CA 1.404 59.472 58.100 -0.053 0.000 1.148 94 Y CB -0.549 37.822 38.460 -0.148 0.000 0.981 94 Y HN -0.177 nan 8.280 nan 0.000 0.507 95 F N -0.898 119.200 119.950 0.247 0.000 2.171 95 F HA -0.235 4.291 4.527 -0.001 0.000 0.300 95 F C 2.382 178.222 175.800 0.067 0.000 1.090 95 F CA 1.555 59.657 58.000 0.169 0.000 1.293 95 F CB -0.896 38.203 39.000 0.165 0.000 1.013 95 F HN -0.109 nan 8.300 nan 0.000 0.486 96 V N -0.834 119.198 119.914 0.197 0.000 2.407 96 V HA -0.266 3.853 4.120 -0.001 0.000 0.248 96 V C 2.214 178.430 176.094 0.204 0.000 1.055 96 V CA 1.542 63.932 62.300 0.150 0.000 1.049 96 V CB -0.683 31.020 31.823 -0.200 0.000 0.662 96 V HN 0.162 nan 8.190 nan 0.000 0.455 97 V N -0.648 119.328 119.914 0.105 0.000 2.323 97 V HA -0.189 3.930 4.120 -0.001 0.000 0.244 97 V C 2.331 178.447 176.094 0.038 0.000 1.041 97 V CA 1.709 64.115 62.300 0.177 0.000 1.025 97 V CB -0.577 31.221 31.823 -0.041 0.000 0.656 97 V HN 0.463 nan 8.190 nan 0.000 0.451 98 L N 0.066 121.182 121.223 -0.177 0.000 2.042 98 L HA -0.146 4.193 4.340 -0.001 0.000 0.210 98 L C 2.350 179.173 176.870 -0.078 0.000 1.076 98 L CA 1.823 56.564 54.840 -0.166 0.000 0.749 98 L CB -0.494 41.432 42.059 -0.223 0.000 0.893 98 L HN 0.132 nan 8.230 nan 0.000 0.432 99 V N -0.466 119.388 119.914 -0.100 0.000 2.358 99 V HA -0.192 3.927 4.120 -0.001 0.000 0.246 99 V C 2.556 178.293 176.094 -0.596 0.000 1.047 99 V CA 1.736 63.847 62.300 -0.316 0.000 1.035 99 V CB -1.425 30.154 31.823 -0.406 0.000 0.658 99 V HN 0.616 nan 8.190 nan 0.000 0.452 100 G N -0.471 107.952 108.800 -0.627 0.000 2.422 100 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.218 100 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.218 100 G C 1.235 175.866 174.900 -0.448 0.000 1.146 100 G CA 0.984 45.496 45.100 -0.981 0.000 0.769 100 G HN 0.493 nan 8.290 nan 0.000 0.547 101 D N 0.030 120.356 120.400 -0.123 0.000 2.117 101 D HA -0.097 4.542 4.640 -0.001 0.000 0.198 101 D C 2.344 178.671 176.300 0.046 0.000 0.982 101 D CA 0.578 54.594 54.000 0.027 0.000 0.828 101 D CB -0.295 40.539 40.800 0.056 0.000 0.967 101 D HN 0.199 nan 8.370 nan 0.000 0.464 102 M N 0.554 120.146 119.600 -0.014 0.000 2.086 102 M HA -0.127 4.352 4.480 -0.001 0.000 0.261 102 M C 2.046 178.331 176.300 -0.025 0.000 1.067 102 M CA 1.195 56.501 55.300 0.009 0.000 1.116 102 M CB -0.415 32.175 32.600 -0.016 0.000 1.348 102 M HN -0.030 nan 8.290 nan 0.000 0.407 103 I N 0.039 120.523 120.570 -0.143 0.000 2.264 103 I HA -0.307 3.862 4.170 -0.001 0.000 0.248 103 I C 2.088 178.213 176.117 0.014 0.000 1.111 103 I CA 1.664 62.893 61.300 -0.119 0.000 1.382 103 I CB -0.750 37.101 38.000 -0.249 0.000 1.060 103 I HN 0.330 nan 8.210 nan 0.000 0.418 104 T N 0.058 114.648 114.554 0.061 0.000 2.777 104 T HA -0.135 4.214 4.350 -0.001 0.000 0.266 104 T C 1.815 176.701 174.700 0.311 0.000 1.040 104 T CA 1.073 63.299 62.100 0.210 0.000 1.141 104 T CB -0.147 68.845 68.868 0.206 0.000 0.868 104 T HN 0.319 nan 8.240 nan 0.000 0.444 105 E N 1.214 121.557 120.200 0.239 0.000 2.051 105 E HA -0.113 4.236 4.350 -0.001 0.000 0.192 105 E C 2.337 179.033 176.600 0.161 0.000 0.991 105 E CA 0.827 57.385 56.400 0.263 0.000 0.799 105 E CB -0.190 29.653 29.700 0.238 0.000 0.748 105 E HN 0.500 nan 8.360 nan 0.000 0.449 106 E N 0.484 120.733 120.200 0.081 0.000 2.267 106 E HA -0.119 4.230 4.350 -0.001 0.000 0.197 106 E C 1.404 177.970 176.600 -0.057 0.000 0.998 106 E CA 0.626 57.032 56.400 0.009 0.000 0.830 106 E CB -0.117 29.581 29.700 -0.003 0.000 0.751 106 E HN 0.122 nan 8.360 nan 0.000 0.491 107 A N 1.136 123.905 122.820 -0.085 0.000 2.346 107 A HA 0.034 4.354 4.320 -0.001 0.000 0.242 107 A C 1.832 179.004 177.584 -0.686 0.000 1.323 107 A CA -0.078 51.798 52.037 -0.268 0.000 0.940 107 A CB -0.570 18.332 19.000 -0.163 0.000 0.943 107 A HN 0.157 nan 8.150 nan 0.000 0.501 108 L N 0.693 121.652 121.223 -0.440 0.000 2.021 108 L HA -0.120 4.219 4.340 -0.001 0.000 0.215 108 L C -0.755 175.946 176.870 -0.282 0.000 1.074 108 L CA 2.658 57.278 54.840 -0.366 0.000 0.760 108 L CB -1.169 40.815 42.059 -0.125 0.000 0.889 108 L HN 0.205 nan 8.230 nan 0.000 0.433 109 P HA -0.166 nan 4.420 nan 0.000 0.216 109 P C 1.631 178.885 177.300 -0.078 0.000 1.154 109 P CA 2.159 65.204 63.100 -0.092 0.000 0.865 109 P CB -0.229 31.423 31.700 -0.079 0.000 0.789 110 T N -1.661 112.776 114.554 -0.194 0.000 2.759 110 T HA -0.183 4.166 4.350 -0.001 0.000 0.269 110 T C 1.368 176.137 174.700 0.116 0.000 1.042 110 T CA 1.380 63.426 62.100 -0.089 0.000 1.140 110 T CB -0.862 67.921 68.868 -0.141 0.000 0.864 110 T HN 0.078 nan 8.240 nan 0.000 0.455 111 Y N 1.260 121.665 120.300 0.176 0.000 2.314 111 Y HA 0.062 4.611 4.550 -0.001 0.000 0.293 111 Y C 2.588 178.655 175.900 0.278 0.000 1.129 111 Y CA -0.138 58.123 58.100 0.269 0.000 1.201 111 Y CB -1.033 37.683 38.460 0.427 0.000 0.999 111 Y HN 0.282 nan 8.280 nan 0.000 0.541 112 Q N -0.229 119.793 119.800 0.371 0.000 2.123 112 Q HA -0.131 4.208 4.340 -0.001 0.000 0.199 112 Q C 1.840 177.944 176.000 0.174 0.000 0.966 112 Q CA 1.764 57.745 55.803 0.296 0.000 0.845 112 Q CB -0.013 28.852 28.738 0.213 0.000 0.907 112 Q HN 0.384 nan 8.270 nan 0.000 0.439 113 T N 0.882 115.513 114.554 0.129 0.000 2.746 113 T HA -0.155 4.195 4.350 -0.001 0.000 0.267 113 T C 1.747 176.483 174.700 0.060 0.000 1.039 113 T CA 1.488 63.633 62.100 0.076 0.000 1.142 113 T CB -0.135 68.763 68.868 0.050 0.000 0.866 113 T HN 0.317 nan 8.240 nan 0.000 0.444 114 M N 0.329 119.985 119.600 0.093 0.000 2.108 114 M HA -0.070 4.409 4.480 -0.001 0.000 0.261 114 M C 2.148 178.436 176.300 -0.020 0.000 1.066 114 M CA 1.625 56.948 55.300 0.037 0.000 1.107 114 M CB -0.499 32.161 32.600 0.099 0.000 1.356 114 M HN 0.229 nan 8.290 nan 0.000 0.406 115 L N -0.425 120.812 121.223 0.024 0.000 2.056 115 L HA -0.192 4.147 4.340 -0.001 0.000 0.207 115 L C 1.768 178.632 176.870 -0.010 0.000 1.078 115 L CA 0.811 55.650 54.840 -0.001 0.000 0.749 115 L CB -0.717 41.390 42.059 0.081 0.000 0.901 115 L HN 0.312 nan 8.230 nan 0.000 0.433 116 N N -0.491 118.226 118.700 0.029 0.000 2.571 116 N HA -0.092 4.647 4.740 -0.001 0.000 0.189 116 N C 1.659 177.154 175.510 -0.026 0.000 1.154 116 N CA 1.304 54.366 53.050 0.021 0.000 0.907 116 N CB -0.095 38.423 38.487 0.050 0.000 0.977 116 N HN 0.442 nan 8.380 nan 0.000 0.449 117 T N -2.716 111.798 114.554 -0.067 0.000 3.065 117 T HA 0.178 4.527 4.350 -0.001 0.000 0.252 117 T C 0.857 175.457 174.700 -0.167 0.000 1.099 117 T CA -0.139 61.898 62.100 -0.104 0.000 1.063 117 T CB 0.000 68.793 68.868 -0.126 0.000 0.948 117 T HN -0.019 nan 8.240 nan 0.000 0.506 118 L N 2.929 124.028 121.223 -0.207 0.000 2.433 118 L HA 0.176 4.515 4.340 -0.001 0.000 0.275 118 L C 1.056 177.757 176.870 -0.280 0.000 1.128 118 L CA -0.529 54.124 54.840 -0.311 0.000 0.875 118 L CB 0.357 42.144 42.059 -0.454 0.000 1.171 118 L HN 0.075 nan 8.230 nan 0.000 0.463 119 D N 3.722 123.974 120.400 -0.248 0.000 2.160 119 D HA -0.196 4.443 4.640 -0.001 0.000 0.189 119 D C 1.806 177.973 176.300 -0.221 0.000 1.003 119 D CA 2.054 55.955 54.000 -0.165 0.000 0.846 119 D CB 0.121 40.869 40.800 -0.087 0.000 0.949 119 D HN 0.826 nan 8.370 nan 0.000 0.446 120 G N 0.145 108.686 108.800 -0.431 0.000 2.464 120 G HA2 -0.050 3.910 3.960 -0.001 0.000 0.217 120 G HA3 -0.050 3.910 3.960 -0.001 0.000 0.217 120 G C 1.595 176.221 174.900 -0.457 0.000 1.138 120 G CA 0.917 45.754 45.100 -0.440 0.000 0.793 120 G HN 0.374 nan 8.290 nan 0.000 0.539 121 V N -0.937 118.641 119.914 -0.561 0.000 3.643 121 V HA 0.349 4.469 4.120 -0.001 0.000 0.280 121 V C 1.123 177.195 176.094 -0.037 0.000 1.351 121 V CA -0.157 61.919 62.300 -0.372 0.000 1.073 121 V CB -0.570 30.970 31.823 -0.473 0.000 0.863 121 V HN 0.412 nan 8.190 nan 0.000 0.436 122 R N 1.039 121.499 120.500 -0.066 0.000 2.756 122 R HA 0.132 4.471 4.340 -0.001 0.000 0.264 122 R C -0.362 175.986 176.300 0.081 0.000 1.026 122 R CA 0.204 56.313 56.100 0.016 0.000 1.121 122 R CB 0.105 30.397 30.300 -0.013 0.000 0.999 122 R HN 0.308 nan 8.270 nan 0.000 0.449 123 D N 1.235 121.692 120.400 0.096 0.000 2.380 123 D HA 0.031 4.670 4.640 -0.001 0.000 0.230 123 D C 0.267 176.611 176.300 0.075 0.000 1.154 123 D CA -0.286 53.778 54.000 0.106 0.000 0.859 123 D CB 1.125 41.994 40.800 0.115 0.000 1.045 123 D HN 0.526 nan 8.370 nan 0.000 0.495 124 E N 1.772 122.015 120.200 0.070 0.000 2.274 124 E HA -0.066 4.283 4.350 -0.001 0.000 0.194 124 E C 1.425 178.053 176.600 0.047 0.000 0.996 124 E CA 0.894 57.326 56.400 0.053 0.000 0.840 124 E CB 0.289 30.019 29.700 0.051 0.000 0.772 124 E HN 0.647 nan 8.360 nan 0.000 0.491 125 T N -4.379 110.207 114.554 0.053 0.000 3.026 125 T HA 0.360 4.709 4.350 -0.001 0.000 0.245 125 T C 1.546 176.272 174.700 0.043 0.000 1.004 125 T CA 0.594 62.721 62.100 0.044 0.000 1.069 125 T CB 0.890 69.785 68.868 0.045 0.000 1.005 125 T HN 0.178 nan 8.240 nan 0.000 0.472 126 G N 0.915 109.746 108.800 0.052 0.000 2.184 126 G HA2 0.147 4.106 3.960 -0.001 0.000 0.206 126 G HA3 0.147 4.106 3.960 -0.001 0.000 0.206 126 G C 0.542 175.472 174.900 0.050 0.000 0.995 126 G CA -0.024 45.106 45.100 0.049 0.000 0.651 126 G HN 1.410 nan 8.290 nan 0.000 0.511 127 A N -0.539 122.313 122.820 0.054 0.000 2.699 127 A HA 0.703 5.023 4.320 -0.001 0.000 0.242 127 A C 0.779 178.399 177.584 0.060 0.000 1.142 127 A CA 1.592 53.659 52.037 0.051 0.000 1.008 127 A CB -0.202 18.821 19.000 0.038 0.000 1.232 127 A HN 1.802 nan 8.150 nan 0.000 0.574 128 S N 1.513 117.257 115.700 0.073 0.000 2.626 128 S HA 0.163 4.632 4.470 -0.001 0.000 0.303 128 S C -1.476 173.177 174.600 0.089 0.000 1.256 128 S CA -0.100 58.150 58.200 0.083 0.000 1.069 128 S CB 0.485 63.746 63.200 0.102 0.000 0.807 128 S HN 0.230 nan 8.310 nan 0.000 0.500 129 P HA 0.057 nan 4.420 nan 0.000 0.247 129 P C 0.286 177.633 177.300 0.079 0.000 1.225 129 P CA 0.271 63.411 63.100 0.067 0.000 0.768 129 P CB -0.364 31.368 31.700 0.052 0.000 1.020 130 T N -4.115 110.507 114.554 0.114 0.000 2.918 130 T HA 0.136 4.485 4.350 -0.001 0.000 0.302 130 T C 1.416 176.180 174.700 0.107 0.000 1.045 130 T CA -0.242 61.940 62.100 0.137 0.000 1.114 130 T CB 0.744 69.754 68.868 0.236 0.000 0.965 130 T HN -0.149 nan 8.240 nan 0.000 0.540 131 S N 1.488 117.183 115.700 -0.008 0.000 2.374 131 S HA -0.117 4.352 4.470 -0.001 0.000 0.227 131 S C 1.474 176.055 174.600 -0.033 0.000 1.037 131 S CA 1.546 59.669 58.200 -0.128 0.000 1.024 131 S CB -0.616 62.359 63.200 -0.375 0.000 0.861 131 S HN 0.905 nan 8.310 nan 0.000 0.456 132 W N 1.624 123.037 121.300 0.189 0.000 2.381 132 W HA 0.023 4.682 4.660 -0.001 0.000 0.301 132 W C 2.780 179.461 176.519 0.270 0.000 1.205 132 W CA 0.508 57.998 57.345 0.242 0.000 1.285 132 W CB -0.570 29.028 29.460 0.231 0.000 1.133 132 W HN 0.264 nan 8.180 nan 0.000 0.521 133 A N 0.349 123.415 122.820 0.411 0.000 1.930 133 A HA -0.129 4.191 4.320 -0.001 0.000 0.217 133 A C 1.861 179.591 177.584 0.242 0.000 1.175 133 A CA 1.363 53.572 52.037 0.288 0.000 0.627 133 A CB -0.872 18.253 19.000 0.208 0.000 0.815 133 A HN 0.300 nan 8.150 nan 0.000 0.443 134 I N -1.362 119.336 120.570 0.214 0.000 2.286 134 I HA -0.266 3.903 4.170 -0.001 0.000 0.248 134 I C 2.524 178.772 176.117 0.219 0.000 1.115 134 I CA 1.328 62.727 61.300 0.165 0.000 1.392 134 I CB -0.293 37.776 38.000 0.114 0.000 1.065 134 I HN 0.767 nan 8.210 nan 0.000 0.418 135 W N 1.945 123.307 121.300 0.103 0.000 2.378 135 W HA -0.222 4.438 4.660 -0.001 0.000 0.313 135 W C 2.309 178.952 176.519 0.208 0.000 1.197 135 W CA 1.932 59.350 57.345 0.123 0.000 1.304 135 W CB -0.556 28.966 29.460 0.103 0.000 1.148 135 W HN 0.059 nan 8.180 nan 0.000 0.494 136 T N 1.538 116.271 114.554 0.298 0.000 2.635 136 T HA -0.272 4.078 4.350 -0.001 0.000 0.267 136 T C 1.880 176.667 174.700 0.145 0.000 1.040 136 T CA 2.407 64.633 62.100 0.209 0.000 1.156 136 T CB -0.415 68.619 68.868 0.277 0.000 0.863 136 T HN 0.187 nan 8.240 nan 0.000 0.430 137 R N 0.610 121.178 120.500 0.114 0.000 2.066 137 R HA 0.069 4.409 4.340 -0.001 0.000 0.232 137 R C 2.860 179.156 176.300 -0.007 0.000 1.131 137 R CA 1.270 57.408 56.100 0.063 0.000 0.955 137 R CB -0.491 29.845 30.300 0.060 0.000 0.851 137 R HN 0.371 nan 8.270 nan 0.000 0.432 138 A N 0.244 123.043 122.820 -0.036 0.000 1.933 138 A HA -0.205 4.115 4.320 -0.001 0.000 0.218 138 A C 1.897 179.358 177.584 -0.205 0.000 1.175 138 A CA 1.215 53.192 52.037 -0.100 0.000 0.628 138 A CB -0.815 18.147 19.000 -0.063 0.000 0.814 138 A HN 0.636 nan 8.150 nan 0.000 0.444 139 W N 1.135 122.096 121.300 -0.564 0.000 2.355 139 W HA -0.150 4.509 4.660 -0.001 0.000 0.309 139 W C 2.111 178.381 176.519 -0.414 0.000 1.206 139 W CA 2.433 59.336 57.345 -0.736 0.000 1.284 139 W CB -0.529 28.223 29.460 -1.181 0.000 1.145 139 W HN 0.247 nan 8.180 nan 0.000 0.502 140 T N 0.900 115.350 114.554 -0.174 0.000 2.746 140 T HA -0.219 4.130 4.350 -0.001 0.000 0.267 140 T C 1.981 176.475 174.700 -0.344 0.000 1.039 140 T CA 2.132 64.057 62.100 -0.291 0.000 1.142 140 T CB -0.999 67.886 68.868 0.029 0.000 0.866 140 T HN 0.281 nan 8.240 nan 0.000 0.444 141 A N 1.601 124.278 122.820 -0.239 0.000 1.908 141 A HA -0.183 4.136 4.320 -0.001 0.000 0.218 141 A C 2.218 179.625 177.584 -0.294 0.000 1.181 141 A CA 1.751 53.659 52.037 -0.214 0.000 0.627 141 A CB -0.539 18.370 19.000 -0.151 0.000 0.818 141 A HN 0.586 nan 8.150 nan 0.000 0.445 142 E N -0.557 119.426 120.200 -0.362 0.000 2.072 142 E HA -0.151 4.198 4.350 -0.001 0.000 0.191 142 E C 1.910 178.172 176.600 -0.562 0.000 0.985 142 E CA 0.991 57.160 56.400 -0.385 0.000 0.801 142 E CB -0.142 29.408 29.700 -0.249 0.000 0.750 142 E HN 0.548 nan 8.360 nan 0.000 0.452 143 E N 0.871 120.611 120.200 -0.767 0.000 2.204 143 E HA -0.168 4.181 4.350 -0.001 0.000 0.195 143 E C 1.710 178.005 176.600 -0.509 0.000 0.990 143 E CA 0.597 56.456 56.400 -0.901 0.000 0.821 143 E CB -0.266 28.844 29.700 -0.984 0.000 0.750 143 E HN 0.159 nan 8.360 nan 0.000 0.477 144 N N 1.416 119.904 118.700 -0.354 0.000 2.223 144 N HA -0.144 4.595 4.740 -0.001 0.000 0.185 144 N C 1.567 177.019 175.510 -0.097 0.000 1.016 144 N CA 0.945 53.884 53.050 -0.184 0.000 0.863 144 N CB 0.071 38.460 38.487 -0.163 0.000 0.983 144 N HN 0.116 nan 8.380 nan 0.000 0.429 145 R N -1.184 119.239 120.500 -0.129 0.000 2.189 145 R HA -0.015 4.324 4.340 -0.001 0.000 0.218 145 R C 1.655 178.128 176.300 0.287 0.000 1.074 145 R CA 0.947 57.034 56.100 -0.022 0.000 0.991 145 R CB -0.580 29.502 30.300 -0.363 0.000 0.883 145 R HN 0.594 nan 8.270 nan 0.000 0.457 146 H N 0.164 119.293 119.070 0.098 0.000 2.326 146 H HA -0.039 4.516 4.556 -0.001 0.000 0.301 146 H C 2.386 177.770 175.328 0.094 0.000 1.081 146 H CA 0.767 56.900 56.048 0.143 0.000 1.334 146 H CB 0.000 29.819 29.762 0.095 0.000 1.385 146 H HN 0.375 nan 8.280 nan 0.000 0.504 147 G N 0.749 109.670 108.800 0.202 0.000 2.402 147 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.216 147 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.216 147 G C 1.080 176.042 174.900 0.104 0.000 1.162 147 G CA 1.032 46.206 45.100 0.122 0.000 0.777 147 G HN 0.300 nan 8.290 nan 0.000 0.539 148 D N 0.055 120.516 120.400 0.101 0.000 2.097 148 D HA -0.099 4.540 4.640 -0.001 0.000 0.195 148 D C 2.330 178.716 176.300 0.143 0.000 0.989 148 D CA 0.532 54.590 54.000 0.096 0.000 0.827 148 D CB -0.352 40.495 40.800 0.078 0.000 0.966 148 D HN 0.219 nan 8.370 nan 0.000 0.456 149 L N 0.409 121.750 121.223 0.196 0.000 2.017 149 L HA -0.073 4.266 4.340 -0.001 0.000 0.208 149 L C 2.023 179.002 176.870 0.182 0.000 1.073 149 L CA 1.512 56.480 54.840 0.214 0.000 0.745 149 L CB -0.635 41.570 42.059 0.244 0.000 0.894 149 L HN 0.055 nan 8.230 nan 0.000 0.432 150 L N -0.237 121.070 121.223 0.139 0.000 2.201 150 L HA -0.177 4.162 4.340 -0.001 0.000 0.212 150 L C 2.451 179.438 176.870 0.196 0.000 1.105 150 L CA 1.128 56.060 54.840 0.153 0.000 0.775 150 L CB -0.771 41.342 42.059 0.090 0.000 0.913 150 L HN 0.497 nan 8.230 nan 0.000 0.440 151 N N 0.978 119.765 118.700 0.146 0.000 2.062 151 N HA -0.200 4.539 4.740 -0.001 0.000 0.191 151 N C 1.802 177.409 175.510 0.161 0.000 1.042 151 N CA 1.560 54.682 53.050 0.120 0.000 0.845 151 N CB 0.117 38.645 38.487 0.069 0.000 1.024 151 N HN 0.066 nan 8.380 nan 0.000 0.424 152 K N -0.168 120.330 120.400 0.163 0.000 2.152 152 K HA -0.137 4.182 4.320 -0.001 0.000 0.206 152 K C 1.918 178.658 176.600 0.235 0.000 1.048 152 K CA 0.848 57.249 56.287 0.191 0.000 0.933 152 K CB -0.566 32.036 32.500 0.170 0.000 0.721 152 K HN 0.334 nan 8.250 nan 0.000 0.447 153 Y N 0.618 121.016 120.300 0.164 0.000 2.133 153 Y HA -0.133 4.417 4.550 -0.001 0.000 0.287 153 Y C 1.515 177.521 175.900 0.176 0.000 1.134 153 Y CA 1.498 59.693 58.100 0.157 0.000 1.133 153 Y CB -0.208 38.325 38.460 0.123 0.000 0.987 153 Y HN -0.080 nan 8.280 nan 0.000 0.502 154 L N -0.804 120.464 121.223 0.075 0.000 2.083 154 L HA -0.244 4.095 4.340 -0.001 0.000 0.209 154 L C 2.347 179.195 176.870 -0.036 0.000 1.083 154 L CA 1.738 56.602 54.840 0.040 0.000 0.752 154 L CB -0.858 41.304 42.059 0.171 0.000 0.899 154 L HN 0.367 nan 8.230 nan 0.000 0.433 155 Y N 0.901 121.164 120.300 -0.062 0.000 2.114 155 Y HA -0.245 4.304 4.550 -0.001 0.000 0.284 155 Y C 2.326 178.179 175.900 -0.078 0.000 1.143 155 Y CA 1.621 59.694 58.100 -0.045 0.000 1.135 155 Y CB -0.269 38.190 38.460 -0.002 0.000 0.980 155 Y HN -0.023 nan 8.280 nan 0.000 0.499 156 L N 0.140 121.282 121.223 -0.135 0.000 2.201 156 L HA -0.183 4.156 4.340 -0.001 0.000 0.212 156 L C 2.704 179.401 176.870 -0.289 0.000 1.105 156 L CA 1.307 56.015 54.840 -0.221 0.000 0.775 156 L CB -0.873 41.151 42.059 -0.059 0.000 0.913 156 L HN 0.391 nan 8.230 nan 0.000 0.440 157 S N -0.050 115.436 115.700 -0.356 0.000 2.383 157 S HA -0.127 4.342 4.470 -0.001 0.000 0.229 157 S C 1.825 176.275 174.600 -0.251 0.000 1.030 157 S CA 0.992 59.002 58.200 -0.317 0.000 1.002 157 S CB -0.598 62.392 63.200 -0.351 0.000 0.829 157 S HN 0.556 nan 8.310 nan 0.000 0.467 158 G N 1.238 109.885 108.800 -0.255 0.000 2.179 158 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.260 158 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.260 158 G C 0.911 175.725 174.900 -0.144 0.000 0.977 158 G CA 0.365 45.354 45.100 -0.185 0.000 0.641 158 G HN 0.483 nan 8.290 nan 0.000 0.533 159 R N -0.309 120.019 120.500 -0.288 0.000 2.300 159 R HA 0.319 4.658 4.340 -0.001 0.000 0.199 159 R C 1.208 177.352 176.300 -0.260 0.000 0.920 159 R CA 1.240 57.103 56.100 -0.395 0.000 1.046 159 R CB 0.105 29.774 30.300 -1.052 0.000 0.984 159 R HN 1.014 nan 8.270 nan 0.000 0.493 160 V N -2.348 117.458 119.914 -0.180 0.000 3.126 160 V HA 0.446 4.565 4.120 -0.001 0.000 0.314 160 V C -0.699 175.176 176.094 -0.365 0.000 1.138 160 V CA -1.294 60.877 62.300 -0.215 0.000 1.034 160 V CB 2.675 34.427 31.823 -0.119 0.000 1.075 160 V HN -0.214 nan 8.190 nan 0.000 0.442 161 D N 2.487 122.470 120.400 -0.696 0.000 2.479 161 D HA 0.308 4.947 4.640 -0.001 0.000 0.218 161 D C 1.032 177.206 176.300 -0.210 0.000 1.131 161 D CA -0.409 53.147 54.000 -0.741 0.000 0.916 161 D CB 1.178 41.382 40.800 -0.994 0.000 1.022 161 D HN 0.517 nan 8.370 nan 0.000 0.515 162 M N 2.427 121.991 119.600 -0.060 0.000 2.213 162 M HA -0.108 4.371 4.480 -0.001 0.000 0.263 162 M C 1.928 178.246 176.300 0.030 0.000 1.062 162 M CA 0.963 56.276 55.300 0.020 0.000 1.105 162 M CB -0.624 32.053 32.600 0.129 0.000 1.385 162 M HN 0.418 nan 8.290 nan 0.000 0.417 163 R N 0.008 120.533 120.500 0.042 0.000 2.081 163 R HA -0.146 4.193 4.340 -0.001 0.000 0.235 163 R C 2.189 178.518 176.300 0.048 0.000 1.131 163 R CA 1.180 57.310 56.100 0.050 0.000 0.960 163 R CB 0.124 30.465 30.300 0.069 0.000 0.856 163 R HN 0.331 nan 8.270 nan 0.000 0.436 164 Q N 0.248 120.080 119.800 0.052 0.000 2.172 164 Q HA -0.079 4.260 4.340 -0.001 0.000 0.200 164 Q C 2.130 178.234 176.000 0.174 0.000 0.964 164 Q CA 1.135 57.008 55.803 0.116 0.000 0.855 164 Q CB 0.041 28.859 28.738 0.133 0.000 0.918 164 Q HN 0.465 nan 8.270 nan 0.000 0.444 165 I N 0.498 121.117 120.570 0.082 0.000 2.252 165 I HA -0.235 3.934 4.170 -0.001 0.000 0.245 165 I C 1.887 177.999 176.117 -0.008 0.000 1.102 165 I CA 1.061 62.334 61.300 -0.045 0.000 1.385 165 I CB -0.161 37.738 38.000 -0.169 0.000 1.064 165 I HN 0.194 nan 8.210 nan 0.000 0.414 166 E N 0.719 120.924 120.200 0.009 0.000 2.150 166 E HA -0.242 4.107 4.350 -0.001 0.000 0.193 166 E C 2.073 178.680 176.600 0.011 0.000 0.985 166 E CA 0.878 57.281 56.400 0.004 0.000 0.814 166 E CB 0.038 29.740 29.700 0.003 0.000 0.752 166 E HN 0.321 nan 8.360 nan 0.000 0.466 167 K N 0.364 120.787 120.400 0.038 0.000 2.062 167 K HA -0.083 4.237 4.320 -0.001 0.000 0.205 167 K C 1.989 178.661 176.600 0.119 0.000 1.051 167 K CA 1.504 57.800 56.287 0.015 0.000 0.941 167 K CB 0.075 32.604 32.500 0.049 0.000 0.719 167 K HN -0.039 nan 8.250 nan 0.000 0.440 168 T N 1.266 115.960 114.554 0.234 0.000 2.788 168 T HA -0.089 4.261 4.350 -0.001 0.000 0.268 168 T C 1.738 176.582 174.700 0.239 0.000 1.044 168 T CA 1.400 63.705 62.100 0.341 0.000 1.139 168 T CB -0.141 68.971 68.868 0.405 0.000 0.867 168 T HN 0.179 nan 8.240 nan 0.000 0.454 169 I N 0.794 121.431 120.570 0.111 0.000 2.315 169 I HA -0.175 3.995 4.170 -0.001 0.000 0.248 169 I C 2.848 178.997 176.117 0.053 0.000 1.117 169 I CA 1.213 62.548 61.300 0.059 0.000 1.404 169 I CB -0.356 37.647 38.000 0.005 0.000 1.071 169 I HN 0.275 nan 8.210 nan 0.000 0.419 170 Q N 0.155 119.964 119.800 0.015 0.000 2.079 170 Q HA -0.226 4.113 4.340 -0.001 0.000 0.200 170 Q C 2.272 178.281 176.000 0.015 0.000 0.974 170 Q CA 1.757 57.538 55.803 -0.038 0.000 0.840 170 Q CB -0.044 28.615 28.738 -0.131 0.000 0.898 170 Q HN 0.404 nan 8.270 nan 0.000 0.430 171 Y N 0.262 120.606 120.300 0.072 0.000 2.089 171 Y HA -0.270 4.279 4.550 -0.001 0.000 0.282 171 Y C 2.137 178.084 175.900 0.079 0.000 1.139 171 Y CA 1.259 59.422 58.100 0.104 0.000 1.123 171 Y CB -0.771 37.798 38.460 0.181 0.000 0.980 171 Y HN 0.205 nan 8.280 nan 0.000 0.493 172 L N 0.257 121.637 121.223 0.263 0.000 2.021 172 L HA -0.261 4.079 4.340 -0.001 0.000 0.215 172 L C 2.132 179.050 176.870 0.081 0.000 1.074 172 L CA 1.764 56.693 54.840 0.148 0.000 0.760 172 L CB -0.951 41.185 42.059 0.129 0.000 0.889 172 L HN 0.263 nan 8.230 nan 0.000 0.433 173 I N -0.997 119.605 120.570 0.054 0.000 2.226 173 I HA -0.211 3.958 4.170 -0.001 0.000 0.245 173 I C 2.419 178.550 176.117 0.023 0.000 1.100 173 I CA 1.261 62.566 61.300 0.007 0.000 1.374 173 I CB -1.045 36.944 38.000 -0.017 0.000 1.057 173 I HN 0.429 nan 8.210 nan 0.000 0.413 174 G N -0.195 108.636 108.800 0.051 0.000 2.432 174 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.219 174 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.219 174 G C 1.734 176.669 174.900 0.058 0.000 1.135 174 G CA 0.818 45.951 45.100 0.056 0.000 0.767 174 G HN 0.350 nan 8.290 nan 0.000 0.550 175 S N -0.070 115.672 115.700 0.069 0.000 2.436 175 S HA 0.319 4.789 4.470 -0.001 0.000 0.228 175 S C 1.701 176.309 174.600 0.014 0.000 1.014 175 S CA 0.746 58.967 58.200 0.036 0.000 0.950 175 S CB -0.278 62.935 63.200 0.021 0.000 0.784 175 S HN 1.151 nan 8.310 nan 0.000 0.504 176 G N 1.600 110.413 108.800 0.021 0.000 2.601 176 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.261 176 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.261 176 G C -0.482 174.436 174.900 0.031 0.000 1.289 176 G CA 0.296 45.410 45.100 0.024 0.000 0.920 176 G HN 0.418 nan 8.290 nan 0.000 0.571 177 M N -0.168 119.464 119.600 0.054 0.000 2.449 177 M HA 0.442 4.921 4.480 -0.001 0.000 0.291 177 M C -2.470 173.869 176.300 0.065 0.000 1.148 177 M CA -0.599 54.750 55.300 0.082 0.000 0.925 177 M CB 2.110 34.808 32.600 0.162 0.000 1.767 177 M HN 0.789 nan 8.290 nan 0.000 0.503 178 D N 5.644 126.090 120.400 0.076 0.000 2.453 178 D HA 0.495 5.134 4.640 -0.001 0.000 0.238 178 D C -1.823 174.437 176.300 -0.066 0.000 1.088 178 D CA -1.453 52.544 54.000 -0.005 0.000 0.854 178 D CB 1.916 42.720 40.800 0.007 0.000 1.076 178 D HN 0.321 nan 8.370 nan 0.000 0.533 179 P HA -0.025 nan 4.420 nan 0.000 0.237 179 P C -0.216 176.825 177.300 -0.433 0.000 1.178 179 P CA 0.148 62.922 63.100 -0.543 0.000 0.766 179 P CB 0.317 31.343 31.700 -1.123 0.000 0.876 180 R N -0.755 119.583 120.500 -0.270 0.000 3.656 180 R HA -0.076 4.263 4.340 -0.001 0.000 0.297 180 R C 0.757 176.925 176.300 -0.219 0.000 1.166 180 R CA 1.152 57.125 56.100 -0.210 0.000 0.799 180 R CB -3.167 27.015 30.300 -0.197 0.000 1.285 180 R HN 0.415 nan 8.270 nan 0.000 0.477 181 T N -3.096 111.299 114.554 -0.265 0.000 3.081 181 T HA 0.092 4.441 4.350 -0.001 0.000 0.250 181 T C 0.573 175.145 174.700 -0.214 0.000 1.100 181 T CA 0.214 62.169 62.100 -0.242 0.000 1.038 181 T CB 0.112 68.801 68.868 -0.299 0.000 0.962 181 T HN 0.421 nan 8.240 nan 0.000 0.516 182 E N 1.575 121.650 120.200 -0.208 0.000 2.403 182 E HA -0.296 4.053 4.350 -0.001 0.000 0.241 182 E C 0.015 176.450 176.600 -0.275 0.000 1.201 182 E CA 0.385 56.657 56.400 -0.212 0.000 0.721 182 E CB -2.290 27.317 29.700 -0.155 0.000 1.245 182 E HN 0.788 nan 8.360 nan 0.000 0.392 183 N N -1.697 116.812 118.700 -0.319 0.000 2.778 183 N HA -0.222 4.517 4.740 -0.001 0.000 0.249 183 N C -0.493 174.851 175.510 -0.277 0.000 1.069 183 N CA 1.255 54.094 53.050 -0.352 0.000 0.831 183 N CB -0.735 37.402 38.487 -0.583 0.000 1.142 183 N HN 0.355 nan 8.380 nan 0.000 0.573 184 S N -0.329 115.222 115.700 -0.249 0.000 2.422 184 S HA 0.471 4.941 4.470 -0.001 0.000 0.308 184 S C -1.670 172.763 174.600 -0.277 0.000 1.097 184 S CA -1.799 56.278 58.200 -0.205 0.000 1.099 184 S CB 1.344 64.463 63.200 -0.134 0.000 0.976 184 S HN -0.134 nan 8.310 nan 0.000 0.471 185 P HA -0.075 nan 4.420 nan 0.000 0.219 185 P C 0.365 177.442 177.300 -0.372 0.000 1.146 185 P CA 1.055 63.718 63.100 -0.728 0.000 0.808 185 P CB -0.005 31.014 31.700 -1.135 0.000 0.779 186 Y N -1.013 119.158 120.300 -0.215 0.000 2.163 186 Y HA -0.105 4.444 4.550 -0.001 0.000 0.288 186 Y C 2.275 178.084 175.900 -0.151 0.000 1.136 186 Y CA 1.095 59.127 58.100 -0.113 0.000 1.147 186 Y CB -1.265 37.132 38.460 -0.105 0.000 0.987 186 Y HN -0.126 nan 8.280 nan 0.000 0.509 187 L N -1.382 119.839 121.223 -0.003 0.000 2.072 187 L HA -0.066 4.273 4.340 -0.001 0.000 0.205 187 L C 2.668 179.496 176.870 -0.070 0.000 1.079 187 L CA 1.086 55.903 54.840 -0.038 0.000 0.752 187 L CB -1.175 40.839 42.059 -0.076 0.000 0.906 187 L HN 0.303 nan 8.230 nan 0.000 0.436 188 G N 0.327 108.997 108.800 -0.218 0.000 2.491 188 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.218 188 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.218 188 G C 1.271 176.069 174.900 -0.170 0.000 1.180 188 G CA 0.669 45.594 45.100 -0.291 0.000 0.774 188 G HN 0.192 nan 8.290 nan 0.000 0.562 189 F N 0.713 120.612 119.950 -0.085 0.000 2.451 189 F HA 0.161 4.687 4.527 -0.001 0.000 0.299 189 F C 2.501 178.284 175.800 -0.028 0.000 1.101 189 F CA -0.512 57.433 58.000 -0.091 0.000 1.436 189 F CB -0.170 38.811 39.000 -0.033 0.000 1.074 189 F HN 0.068 nan 8.300 nan 0.000 0.553 190 I N -1.464 119.186 120.570 0.134 0.000 2.333 190 I HA -0.281 3.888 4.170 -0.001 0.000 0.246 190 I C 2.368 178.622 176.117 0.228 0.000 1.106 190 I CA 1.186 62.568 61.300 0.137 0.000 1.411 190 I CB -1.201 36.823 38.000 0.040 0.000 1.082 190 I HN 0.117 nan 8.210 nan 0.000 0.420 191 Y N 2.691 123.024 120.300 0.055 0.000 2.070 191 Y HA -0.354 4.195 4.550 -0.001 0.000 0.280 191 Y C 2.968 178.907 175.900 0.066 0.000 1.148 191 Y CA 2.918 61.042 58.100 0.040 0.000 1.125 191 Y CB -0.669 37.764 38.460 -0.044 0.000 0.975 191 Y HN 0.318 nan 8.280 nan 0.000 0.492 192 T N -2.884 111.640 114.554 -0.051 0.000 2.788 192 T HA -0.183 4.167 4.350 -0.001 0.000 0.268 192 T C 2.086 176.709 174.700 -0.129 0.000 1.044 192 T CA 1.620 63.560 62.100 -0.265 0.000 1.139 192 T CB -0.917 67.535 68.868 -0.692 0.000 0.867 192 T HN 0.318 nan 8.240 nan 0.000 0.454 193 S N 0.888 116.612 115.700 0.041 0.000 2.368 193 S HA 0.030 4.499 4.470 -0.001 0.000 0.225 193 S C 1.420 176.124 174.600 0.173 0.000 1.030 193 S CA 1.144 59.475 58.200 0.219 0.000 0.999 193 S CB -0.619 62.817 63.200 0.393 0.000 0.844 193 S HN 0.555 nan 8.310 nan 0.000 0.459 194 F N 2.582 122.540 119.950 0.013 0.000 2.084 194 F HA -0.123 4.403 4.527 -0.001 0.000 0.296 194 F C 2.557 178.314 175.800 -0.073 0.000 1.111 194 F CA 1.418 59.401 58.000 -0.028 0.000 1.224 194 F CB -0.433 38.528 39.000 -0.065 0.000 0.991 194 F HN 0.059 nan 8.300 nan 0.000 0.471 195 Q N 0.566 120.429 119.800 0.104 0.000 2.096 195 Q HA -0.207 4.133 4.340 -0.001 0.000 0.204 195 Q C 2.124 178.143 176.000 0.033 0.000 0.982 195 Q CA 1.643 57.446 55.803 -0.001 0.000 0.850 195 Q CB -0.733 27.881 28.738 -0.205 0.000 0.901 195 Q HN 0.516 nan 8.270 nan 0.000 0.422 196 E N 0.456 120.722 120.200 0.110 0.000 2.118 196 E HA -0.193 4.156 4.350 -0.001 0.000 0.195 196 E C 2.016 178.710 176.600 0.156 0.000 0.992 196 E CA 0.902 57.440 56.400 0.229 0.000 0.804 196 E CB -0.164 29.756 29.700 0.366 0.000 0.741 196 E HN 0.301 nan 8.360 nan 0.000 0.458 197 R N 0.559 121.080 120.500 0.035 0.000 2.090 197 R HA -0.019 4.320 4.340 -0.001 0.000 0.228 197 R C 2.216 178.518 176.300 0.003 0.000 1.110 197 R CA 1.180 57.277 56.100 -0.005 0.000 0.973 197 R CB -0.125 30.072 30.300 -0.172 0.000 0.869 197 R HN 0.109 nan 8.270 nan 0.000 0.440 198 A N 0.256 123.004 122.820 -0.119 0.000 1.877 198 A HA -0.185 4.135 4.320 -0.001 0.000 0.216 198 A C 2.253 179.738 177.584 -0.165 0.000 1.186 198 A CA 2.110 54.045 52.037 -0.168 0.000 0.620 198 A CB -1.201 17.656 19.000 -0.238 0.000 0.822 198 A HN 0.632 nan 8.150 nan 0.000 0.443 199 T N -3.082 111.427 114.554 -0.074 0.000 2.821 199 T HA -0.165 4.184 4.350 -0.001 0.000 0.267 199 T C 1.722 176.420 174.700 -0.004 0.000 1.046 199 T CA 1.504 63.547 62.100 -0.095 0.000 1.139 199 T CB -0.563 68.346 68.868 0.068 0.000 0.871 199 T HN 0.396 nan 8.240 nan 0.000 0.454 200 F N 2.144 122.092 119.950 -0.004 0.000 2.126 200 F HA 0.058 4.584 4.527 -0.001 0.000 0.299 200 F C 1.872 177.659 175.800 -0.022 0.000 1.096 200 F CA 0.641 58.650 58.000 0.014 0.000 1.255 200 F CB -0.519 38.469 39.000 -0.020 0.000 0.997 200 F HN 0.146 nan 8.300 nan 0.000 0.479 201 I N -0.494 119.923 120.570 -0.254 0.000 2.133 201 I HA -0.310 3.859 4.170 -0.001 0.000 0.238 201 I C 2.545 178.532 176.117 -0.217 0.000 1.074 201 I CA 1.470 62.594 61.300 -0.293 0.000 1.342 201 I CB -0.848 37.134 38.000 -0.030 0.000 1.053 201 I HN 0.062 nan 8.210 nan 0.000 0.404 202 S N -0.115 115.486 115.700 -0.165 0.000 2.359 202 S HA -0.258 4.212 4.470 -0.001 0.000 0.222 202 S C 2.016 176.508 174.600 -0.180 0.000 1.038 202 S CA 1.476 59.568 58.200 -0.180 0.000 1.051 202 S CB -0.610 62.413 63.200 -0.294 0.000 0.944 202 S HN 0.422 nan 8.310 nan 0.000 0.433 203 H N 0.662 119.645 119.070 -0.144 0.000 2.421 203 H HA 0.010 4.566 4.556 -0.001 0.000 0.298 203 H C 2.462 177.657 175.328 -0.221 0.000 1.087 203 H CA 1.206 57.154 56.048 -0.167 0.000 1.330 203 H CB -0.937 28.739 29.762 -0.143 0.000 1.388 203 H HN 0.478 nan 8.280 nan 0.000 0.526 204 G N 0.630 109.307 108.800 -0.205 0.000 2.403 204 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.216 204 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.216 204 G C 1.756 176.541 174.900 -0.191 0.000 1.154 204 G CA 0.213 45.141 45.100 -0.288 0.000 0.784 204 G HN 0.333 nan 8.290 nan 0.000 0.538 205 N N 0.791 119.392 118.700 -0.164 0.000 2.171 205 N HA -0.108 4.631 4.740 -0.001 0.000 0.184 205 N C 2.666 178.142 175.510 -0.056 0.000 1.021 205 N CA 1.864 54.851 53.050 -0.105 0.000 0.854 205 N CB -0.583 37.853 38.487 -0.086 0.000 0.994 205 N HN 0.459 nan 8.380 nan 0.000 0.426 206 T N -1.002 113.519 114.554 -0.055 0.000 2.788 206 T HA 0.037 4.386 4.350 -0.001 0.000 0.268 206 T C 2.051 176.794 174.700 0.072 0.000 1.044 206 T CA 1.192 63.292 62.100 -0.001 0.000 1.139 206 T CB -0.355 68.447 68.868 -0.109 0.000 0.867 206 T HN 0.148 nan 8.240 nan 0.000 0.454 207 A N 2.433 125.234 122.820 -0.032 0.000 1.908 207 A HA -0.099 4.220 4.320 -0.001 0.000 0.218 207 A C 2.609 180.152 177.584 -0.068 0.000 1.181 207 A CA 1.543 53.536 52.037 -0.074 0.000 0.627 207 A CB -0.637 18.287 19.000 -0.125 0.000 0.818 207 A HN 0.578 nan 8.150 nan 0.000 0.445 208 R N -0.651 119.807 120.500 -0.070 0.000 2.066 208 R HA -0.132 4.207 4.340 -0.001 0.000 0.232 208 R C 2.434 178.677 176.300 -0.095 0.000 1.131 208 R CA 1.642 57.693 56.100 -0.082 0.000 0.955 208 R CB -0.428 29.822 30.300 -0.083 0.000 0.851 208 R HN 0.670 nan 8.270 nan 0.000 0.432 209 Q N 0.228 119.999 119.800 -0.049 0.000 2.224 209 Q HA -0.066 4.273 4.340 -0.001 0.000 0.203 209 Q C 2.155 178.024 176.000 -0.219 0.000 0.970 209 Q CA 1.200 56.938 55.803 -0.108 0.000 0.865 209 Q CB -0.070 28.735 28.738 0.113 0.000 0.922 209 Q HN 0.370 nan 8.270 nan 0.000 0.445 210 A N 1.679 124.453 122.820 -0.076 0.000 1.877 210 A HA -0.237 4.083 4.320 -0.001 0.000 0.216 210 A C 2.020 179.495 177.584 -0.183 0.000 1.186 210 A CA 1.647 53.559 52.037 -0.209 0.000 0.620 210 A CB -0.398 18.531 19.000 -0.119 0.000 0.822 210 A HN 0.207 nan 8.150 nan 0.000 0.443 211 K N -0.178 120.132 120.400 -0.150 0.000 2.057 211 K HA -0.175 4.145 4.320 -0.001 0.000 0.207 211 K C 1.782 178.291 176.600 -0.152 0.000 1.049 211 K CA 1.676 57.888 56.287 -0.126 0.000 0.931 211 K CB -0.185 32.252 32.500 -0.104 0.000 0.714 211 K HN 0.596 nan 8.250 nan 0.000 0.440 212 E N -0.685 119.370 120.200 -0.242 0.000 2.333 212 E HA -0.156 4.193 4.350 -0.001 0.000 0.198 212 E C 1.078 177.491 176.600 -0.312 0.000 1.007 212 E CA 0.629 56.855 56.400 -0.289 0.000 0.845 212 E CB 0.083 29.564 29.700 -0.366 0.000 0.766 212 E HN 0.406 nan 8.360 nan 0.000 0.507 213 H N -1.301 117.698 119.070 -0.118 0.000 2.586 213 H HA 0.214 4.769 4.556 -0.001 0.000 0.273 213 H C 1.315 176.585 175.328 -0.096 0.000 0.997 213 H CA 0.702 56.675 56.048 -0.125 0.000 1.177 213 H CB 1.129 30.759 29.762 -0.220 0.000 1.471 213 H HN 0.293 nan 8.280 nan 0.000 0.538 214 G N 1.094 109.890 108.800 -0.007 0.000 2.157 214 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.239 214 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.239 214 G C -0.082 174.808 174.900 -0.017 0.000 0.982 214 G CA 0.190 45.284 45.100 -0.010 0.000 0.650 214 G HN 0.378 nan 8.290 nan 0.000 0.527 215 D N 0.770 121.148 120.400 -0.037 0.000 2.485 215 D HA 0.432 5.071 4.640 -0.001 0.000 0.229 215 D C 2.055 178.318 176.300 -0.061 0.000 1.101 215 D CA -0.277 53.699 54.000 -0.041 0.000 0.906 215 D CB 0.021 40.790 40.800 -0.051 0.000 1.019 215 D HN 0.453 nan 8.370 nan 0.000 0.516 216 I N 0.134 120.679 120.570 -0.042 0.000 2.546 216 I HA -0.073 4.097 4.170 -0.001 0.000 0.255 216 I C 1.725 177.814 176.117 -0.046 0.000 1.163 216 I CA 0.494 61.766 61.300 -0.047 0.000 1.457 216 I CB 0.100 38.082 38.000 -0.030 0.000 1.092 216 I HN -0.037 nan 8.210 nan 0.000 0.434 217 K N 0.765 121.150 120.400 -0.025 0.000 2.103 217 K HA -0.062 4.258 4.320 -0.001 0.000 0.204 217 K C 2.111 178.662 176.600 -0.083 0.000 1.052 217 K CA 1.135 57.418 56.287 -0.006 0.000 0.945 217 K CB -0.202 32.325 32.500 0.045 0.000 0.722 217 K HN 0.262 nan 8.250 nan 0.000 0.443 218 L N 1.077 122.216 121.223 -0.140 0.000 2.141 218 L HA -0.034 4.305 4.340 -0.001 0.000 0.209 218 L C 2.077 178.803 176.870 -0.241 0.000 1.094 218 L CA 1.496 56.163 54.840 -0.288 0.000 0.763 218 L CB -0.616 41.248 42.059 -0.325 0.000 0.908 218 L HN 0.058 nan 8.230 nan 0.000 0.437 219 A N -1.086 121.633 122.820 -0.168 0.000 1.933 219 A HA -0.227 4.092 4.320 -0.001 0.000 0.218 219 A C 2.182 179.652 177.584 -0.190 0.000 1.175 219 A CA 1.680 53.626 52.037 -0.152 0.000 0.628 219 A CB -0.468 18.465 19.000 -0.112 0.000 0.814 219 A HN 0.637 nan 8.150 nan 0.000 0.444 220 Q N -0.496 119.198 119.800 -0.176 0.000 2.079 220 Q HA -0.095 4.245 4.340 -0.001 0.000 0.200 220 Q C 2.068 177.778 176.000 -0.483 0.000 0.974 220 Q CA 1.418 57.094 55.803 -0.211 0.000 0.840 220 Q CB -0.321 28.399 28.738 -0.031 0.000 0.898 220 Q HN 0.729 nan 8.270 nan 0.000 0.430 221 I N 0.298 120.564 120.570 -0.508 0.000 2.091 221 I HA -0.384 3.785 4.170 -0.001 0.000 0.239 221 I C 2.446 178.163 176.117 -0.667 0.000 1.061 221 I CA 1.117 61.982 61.300 -0.725 0.000 1.317 221 I CB -0.444 37.270 38.000 -0.478 0.000 1.031 221 I HN 0.335 nan 8.210 nan 0.000 0.401 222 C N 0.866 119.893 119.300 -0.454 0.000 2.425 222 C HA -0.100 4.359 4.460 -0.001 0.000 0.277 222 C C 2.923 177.686 174.990 -0.378 0.000 1.280 222 C CA 0.888 59.674 59.018 -0.387 0.000 1.744 222 C CB -1.864 25.749 27.740 -0.212 0.000 1.989 222 C HN 0.713 nan 8.230 nan 0.000 0.491 223 G N 0.347 108.942 108.800 -0.341 0.000 2.402 223 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.216 223 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.216 223 G C 1.658 176.362 174.900 -0.327 0.000 1.162 223 G CA 1.555 46.493 45.100 -0.270 0.000 0.777 223 G HN 0.507 nan 8.290 nan 0.000 0.539 224 T N 1.231 115.460 114.554 -0.542 0.000 2.867 224 T HA 0.007 4.356 4.350 -0.001 0.000 0.268 224 T C 2.328 176.672 174.700 -0.592 0.000 1.057 224 T CA 0.683 62.374 62.100 -0.682 0.000 1.136 224 T CB -0.053 68.033 68.868 -1.303 0.000 0.874 224 T HN 0.245 nan 8.240 nan 0.000 0.466 225 I N 1.141 121.317 120.570 -0.657 0.000 2.286 225 I HA -0.086 4.084 4.170 -0.001 0.000 0.245 225 I C 2.909 178.830 176.117 -0.326 0.000 1.104 225 I CA 0.852 61.765 61.300 -0.645 0.000 1.397 225 I CB -0.411 37.024 38.000 -0.942 0.000 1.072 225 I HN 0.182 nan 8.210 nan 0.000 0.417 226 A N 0.859 123.559 122.820 -0.200 0.000 1.933 226 A HA -0.183 4.136 4.320 -0.001 0.000 0.218 226 A C 2.543 180.246 177.584 0.199 0.000 1.175 226 A CA 1.811 53.899 52.037 0.086 0.000 0.628 226 A CB -0.793 18.216 19.000 0.014 0.000 0.814 226 A HN 0.428 nan 8.150 nan 0.000 0.444 227 A N 0.223 123.083 122.820 0.066 0.000 1.908 227 A HA -0.225 4.095 4.320 -0.001 0.000 0.218 227 A C 1.726 179.343 177.584 0.054 0.000 1.181 227 A CA 2.098 54.179 52.037 0.074 0.000 0.627 227 A CB -0.661 18.355 19.000 0.027 0.000 0.818 227 A HN 0.471 nan 8.150 nan 0.000 0.445 228 D N -0.192 120.254 120.400 0.076 0.000 2.144 228 D HA -0.104 4.536 4.640 -0.001 0.000 0.200 228 D C 1.962 178.106 176.300 -0.260 0.000 0.978 228 D CA 1.196 55.179 54.000 -0.028 0.000 0.833 228 D CB -0.250 40.705 40.800 0.258 0.000 0.961 228 D HN 0.450 nan 8.370 nan 0.000 0.470 229 E N 0.762 121.005 120.200 0.071 0.000 2.085 229 E HA -0.195 4.155 4.350 -0.001 0.000 0.194 229 E C 1.937 178.590 176.600 0.089 0.000 0.994 229 E CA 0.724 57.255 56.400 0.219 0.000 0.801 229 E CB -0.252 29.683 29.700 0.392 0.000 0.743 229 E HN 0.342 nan 8.360 nan 0.000 0.453 230 K N 0.968 121.333 120.400 -0.059 0.000 2.057 230 K HA -0.136 4.183 4.320 -0.001 0.000 0.207 230 K C 2.241 178.761 176.600 -0.133 0.000 1.049 230 K CA 1.182 57.298 56.287 -0.284 0.000 0.931 230 K CB 0.064 32.298 32.500 -0.444 0.000 0.714 230 K HN -0.047 nan 8.250 nan 0.000 0.440 231 R N -0.833 119.618 120.500 -0.081 0.000 2.075 231 R HA -0.098 4.242 4.340 -0.001 0.000 0.232 231 R C 2.227 178.588 176.300 0.101 0.000 1.126 231 R CA 1.877 57.975 56.100 -0.003 0.000 0.963 231 R CB -0.494 29.826 30.300 0.035 0.000 0.858 231 R HN 0.469 nan 8.270 nan 0.000 0.435 232 H N -0.147 119.051 119.070 0.214 0.000 2.352 232 H HA -0.133 4.422 4.556 -0.001 0.000 0.299 232 H C 2.118 177.594 175.328 0.246 0.000 1.097 232 H CA 1.210 57.465 56.048 0.345 0.000 1.311 232 H CB 0.096 30.193 29.762 0.559 0.000 1.377 232 H HN 0.333 nan 8.280 nan 0.000 0.504 233 E N 0.563 120.949 120.200 0.310 0.000 2.051 233 E HA -0.172 4.177 4.350 -0.001 0.000 0.192 233 E C 1.896 178.549 176.600 0.088 0.000 0.991 233 E CA 1.680 58.207 56.400 0.212 0.000 0.799 233 E CB 0.090 29.809 29.700 0.032 0.000 0.748 233 E HN 0.363 nan 8.360 nan 0.000 0.449 234 T N 0.847 115.366 114.554 -0.058 0.000 2.635 234 T HA -0.205 4.144 4.350 -0.001 0.000 0.267 234 T C 1.890 176.373 174.700 -0.361 0.000 1.040 234 T CA 1.757 63.737 62.100 -0.200 0.000 1.156 234 T CB -0.427 68.269 68.868 -0.288 0.000 0.863 234 T HN 0.368 nan 8.240 nan 0.000 0.430 235 A N 0.262 122.753 122.820 -0.548 0.000 1.902 235 A HA -0.082 4.237 4.320 -0.001 0.000 0.217 235 A C 2.097 179.436 177.584 -0.408 0.000 1.181 235 A CA 1.429 53.087 52.037 -0.631 0.000 0.623 235 A CB -0.952 17.657 19.000 -0.652 0.000 0.818 235 A HN 0.530 nan 8.150 nan 0.000 0.443 236 Y N 1.149 121.370 120.300 -0.130 0.000 2.163 236 Y HA -0.174 4.375 4.550 -0.001 0.000 0.288 236 Y C 3.162 179.103 175.900 0.068 0.000 1.136 236 Y CA 1.652 59.710 58.100 -0.071 0.000 1.147 236 Y CB -1.270 37.241 38.460 0.086 0.000 0.987 236 Y HN 0.505 nan 8.280 nan 0.000 0.509 237 T N -1.879 112.858 114.554 0.305 0.000 2.803 237 T HA -0.172 4.178 4.350 -0.001 0.000 0.269 237 T C 1.801 176.749 174.700 0.414 0.000 1.052 237 T CA 1.214 63.570 62.100 0.426 0.000 1.136 237 T CB -0.135 68.849 68.868 0.194 0.000 0.864 237 T HN 0.084 nan 8.240 nan 0.000 0.467 238 K N 1.379 121.905 120.400 0.209 0.000 2.057 238 K HA 0.116 4.436 4.320 -0.001 0.000 0.207 238 K C 2.318 179.125 176.600 0.344 0.000 1.049 238 K CA 1.066 57.492 56.287 0.232 0.000 0.931 238 K CB -0.682 31.878 32.500 0.099 0.000 0.714 238 K HN 0.488 nan 8.250 nan 0.000 0.440 239 I N 0.914 121.635 120.570 0.253 0.000 2.226 239 I HA -0.245 3.924 4.170 -0.001 0.000 0.245 239 I C 2.250 178.397 176.117 0.050 0.000 1.100 239 I CA 0.979 62.415 61.300 0.226 0.000 1.374 239 I CB -0.410 37.536 38.000 -0.090 0.000 1.057 239 I HN -0.163 nan 8.210 nan 0.000 0.413 240 V N 0.582 120.530 119.914 0.058 0.000 2.453 240 V HA -0.237 3.882 4.120 -0.001 0.000 0.247 240 V C 2.465 178.460 176.094 -0.166 0.000 1.048 240 V CA 1.774 63.955 62.300 -0.198 0.000 1.049 240 V CB -0.674 30.878 31.823 -0.452 0.000 0.672 240 V HN 0.466 nan 8.190 nan 0.000 0.457 241 E N 0.726 121.012 120.200 0.144 0.000 2.058 241 E HA -0.337 4.012 4.350 -0.001 0.000 0.194 241 E C 2.224 178.885 176.600 0.103 0.000 0.997 241 E CA 1.791 58.341 56.400 0.250 0.000 0.801 241 E CB -0.056 29.848 29.700 0.339 0.000 0.746 241 E HN 0.421 nan 8.360 nan 0.000 0.450 242 K N 0.732 121.137 120.400 0.009 0.000 2.063 242 K HA -0.116 4.203 4.320 -0.001 0.000 0.208 242 K C 2.028 178.457 176.600 -0.285 0.000 1.048 242 K CA 1.312 57.461 56.287 -0.230 0.000 0.928 242 K CB -0.350 31.717 32.500 -0.722 0.000 0.713 242 K HN 0.218 nan 8.250 nan 0.000 0.442 243 L N -0.768 120.273 121.223 -0.304 0.000 2.217 243 L HA -0.020 4.320 4.340 -0.001 0.000 0.211 243 L C 1.732 178.465 176.870 -0.228 0.000 1.107 243 L CA 0.384 55.011 54.840 -0.356 0.000 0.783 243 L CB -0.292 41.451 42.059 -0.528 0.000 0.919 243 L HN 0.062 nan 8.230 nan 0.000 0.442 244 F N 1.026 120.857 119.950 -0.200 0.000 2.604 244 F HA -0.139 4.387 4.527 -0.001 0.000 0.298 244 F C 2.383 178.140 175.800 -0.070 0.000 1.131 244 F CA 1.162 59.085 58.000 -0.128 0.000 1.457 244 F CB -0.054 38.863 39.000 -0.137 0.000 1.095 244 F HN 0.276 nan 8.300 nan 0.000 0.574 245 E N -1.063 119.189 120.200 0.086 0.000 2.340 245 E HA 0.037 4.387 4.350 -0.001 0.000 0.198 245 E C 1.919 178.508 176.600 -0.019 0.000 0.961 245 E CA 0.509 56.932 56.400 0.038 0.000 0.905 245 E CB -0.433 29.276 29.700 0.015 0.000 0.884 245 E HN 0.365 nan 8.360 nan 0.000 0.491 246 I N 0.860 121.382 120.570 -0.080 0.000 2.852 246 I HA 0.017 4.187 4.170 -0.001 0.000 0.264 246 I C 0.533 176.615 176.117 -0.058 0.000 1.179 246 I CA 0.642 61.878 61.300 -0.106 0.000 1.480 246 I CB 0.495 38.373 38.000 -0.203 0.000 1.111 246 I HN 0.060 nan 8.210 nan 0.000 0.441 247 D N -0.087 120.291 120.400 -0.037 0.000 3.285 247 D HA 0.091 4.731 4.640 -0.001 0.000 0.273 247 D C -1.803 174.502 176.300 0.009 0.000 1.295 247 D CA -1.354 52.649 54.000 0.004 0.000 0.762 247 D CB 0.608 41.448 40.800 0.066 0.000 1.379 247 D HN -0.073 nan 8.370 nan 0.000 0.612 248 P HA -0.172 nan 4.420 nan 0.000 0.216 248 P C 1.088 178.465 177.300 0.129 0.000 1.150 248 P CA 0.898 64.109 63.100 0.186 0.000 0.843 248 P CB 0.754 32.568 31.700 0.189 0.000 0.787 249 D N 0.137 120.576 120.400 0.066 0.000 2.095 249 D HA -0.119 4.520 4.640 -0.001 0.000 0.192 249 D C 2.460 178.763 176.300 0.006 0.000 0.990 249 D CA 1.954 55.979 54.000 0.041 0.000 0.836 249 D CB -1.162 39.647 40.800 0.014 0.000 0.979 249 D HN 0.098 nan 8.370 nan 0.000 0.447 250 G N -0.771 108.008 108.800 -0.036 0.000 2.440 250 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.218 250 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.218 250 G C 1.664 176.516 174.900 -0.079 0.000 1.154 250 G CA 1.641 46.686 45.100 -0.092 0.000 0.767 250 G HN 0.304 nan 8.290 nan 0.000 0.552 251 T N 0.724 115.212 114.554 -0.110 0.000 2.881 251 T HA -0.078 4.271 4.350 -0.001 0.000 0.270 251 T C 2.457 176.957 174.700 -0.333 0.000 1.068 251 T CA 1.125 63.003 62.100 -0.370 0.000 1.131 251 T CB -0.075 68.256 68.868 -0.895 0.000 0.871 251 T HN 0.106 nan 8.240 nan 0.000 0.479 252 V N 1.028 120.926 119.914 -0.027 0.000 2.591 252 V HA 0.015 4.134 4.120 -0.001 0.000 0.249 252 V C 2.390 178.582 176.094 0.164 0.000 1.053 252 V CA 1.002 63.449 62.300 0.245 0.000 1.068 252 V CB -0.546 31.450 31.823 0.289 0.000 0.689 252 V HN 0.433 nan 8.190 nan 0.000 0.462 253 L N 0.241 121.503 121.223 0.066 0.000 2.017 253 L HA -0.145 4.194 4.340 -0.001 0.000 0.208 253 L C 2.802 179.702 176.870 0.050 0.000 1.073 253 L CA 1.681 56.542 54.840 0.034 0.000 0.745 253 L CB -0.824 41.221 42.059 -0.023 0.000 0.894 253 L HN 0.362 nan 8.230 nan 0.000 0.432 254 A N -0.080 122.758 122.820 0.031 0.000 1.883 254 A HA -0.283 4.037 4.320 -0.001 0.000 0.217 254 A C 2.220 179.908 177.584 0.173 0.000 1.186 254 A CA 1.611 53.678 52.037 0.050 0.000 0.624 254 A CB -0.925 18.091 19.000 0.027 0.000 0.822 254 A HN 0.389 nan 8.150 nan 0.000 0.444 255 F N 1.072 121.026 119.950 0.006 0.000 2.161 255 F HA -0.141 4.386 4.527 -0.001 0.000 0.300 255 F C 2.536 178.434 175.800 0.162 0.000 1.089 255 F CA 0.870 58.933 58.000 0.105 0.000 1.282 255 F CB -0.954 38.160 39.000 0.190 0.000 1.010 255 F HN 0.277 nan 8.300 nan 0.000 0.485 256 A N -0.482 122.476 122.820 0.231 0.000 1.929 256 A HA -0.162 4.158 4.320 -0.001 0.000 0.216 256 A C 2.006 179.682 177.584 0.154 0.000 1.176 256 A CA 1.544 53.690 52.037 0.181 0.000 0.628 256 A CB -0.976 18.113 19.000 0.149 0.000 0.816 256 A HN 0.386 nan 8.150 nan 0.000 0.444 257 D N -0.459 119.998 120.400 0.096 0.000 2.084 257 D HA -0.175 4.464 4.640 -0.001 0.000 0.194 257 D C 1.946 178.288 176.300 0.070 0.000 0.990 257 D CA 1.582 55.606 54.000 0.041 0.000 0.826 257 D CB -0.183 40.622 40.800 0.007 0.000 0.971 257 D HN 0.220 nan 8.370 nan 0.000 0.453 258 M N -0.240 119.431 119.600 0.120 0.000 2.108 258 M HA -0.110 4.370 4.480 -0.001 0.000 0.261 258 M C 2.384 178.770 176.300 0.144 0.000 1.066 258 M CA 1.062 56.437 55.300 0.124 0.000 1.107 258 M CB -1.009 31.704 32.600 0.189 0.000 1.356 258 M HN 0.256 nan 8.290 nan 0.000 0.406 259 M N -0.709 119.013 119.600 0.202 0.000 2.279 259 M HA -0.204 4.275 4.480 -0.001 0.000 0.264 259 M C 2.144 178.593 176.300 0.249 0.000 1.062 259 M CA 1.478 56.904 55.300 0.211 0.000 1.099 259 M CB -0.119 32.579 32.600 0.164 0.000 1.394 259 M HN 0.224 nan 8.290 nan 0.000 0.426 260 R N -0.358 120.278 120.500 0.226 0.000 2.062 260 R HA -0.060 4.279 4.340 -0.001 0.000 0.226 260 R C 2.088 178.431 176.300 0.072 0.000 1.125 260 R CA 1.053 57.247 56.100 0.156 0.000 0.966 260 R CB -0.246 30.064 30.300 0.016 0.000 0.861 260 R HN 0.301 nan 8.270 nan 0.000 0.433 261 K N 0.848 121.263 120.400 0.024 0.000 2.103 261 K HA -0.088 4.231 4.320 -0.001 0.000 0.207 261 K C -0.132 176.451 176.600 -0.028 0.000 1.048 261 K CA 0.986 57.243 56.287 -0.050 0.000 0.930 261 K CB -0.048 32.400 32.500 -0.086 0.000 0.716 261 K HN 0.037 nan 8.250 nan 0.000 0.444 262 K N -0.160 120.268 120.400 0.047 0.000 5.560 262 K HA -0.086 4.234 4.320 -0.001 0.000 0.669 262 K C -1.037 175.607 176.600 0.073 0.000 2.466 262 K CA -0.057 56.288 56.287 0.097 0.000 1.913 262 K CB -0.233 32.294 32.500 0.045 0.000 2.891 262 K HN -0.004 nan 8.250 nan 0.000 0.152 263 I N 3.611 124.243 120.570 0.104 0.000 2.389 263 I HA 0.002 4.171 4.170 -0.001 0.000 0.295 263 I C 1.033 177.214 176.117 0.107 0.000 1.117 263 I CA 0.316 61.607 61.300 -0.015 0.000 1.317 263 I CB -0.178 37.427 38.000 -0.658 0.000 1.431 263 I HN 0.542 nan 8.210 nan 0.000 0.521 264 S N 7.513 123.274 115.700 0.102 0.000 2.513 264 S HA 0.489 4.959 4.470 -0.001 0.000 0.276 264 S C 0.175 174.844 174.600 0.115 0.000 1.254 264 S CA -0.988 57.208 58.200 -0.007 0.000 1.053 264 S CB 1.420 64.452 63.200 -0.281 0.000 0.958 264 S HN 0.363 nan 8.310 nan 0.000 0.491 265 M N 4.226 123.893 119.600 0.111 0.000 2.245 265 M HA 0.197 4.677 4.480 -0.001 0.000 0.344 265 M C -1.217 175.195 176.300 0.187 0.000 1.170 265 M CA -2.587 52.818 55.300 0.174 0.000 1.135 265 M CB -0.506 32.263 32.600 0.282 0.000 1.574 265 M HN 0.467 nan 8.290 nan 0.000 0.452 266 P HA -0.114 nan 4.420 nan 0.000 0.218 266 P C 0.503 177.934 177.300 0.219 0.000 1.148 266 P CA 1.637 64.901 63.100 0.274 0.000 0.822 266 P CB 0.091 31.891 31.700 0.166 0.000 0.784 267 A N 0.400 123.287 122.820 0.111 0.000 2.462 267 A HA 0.024 4.343 4.320 -0.001 0.000 0.261 267 A C 1.732 179.132 177.584 -0.307 0.000 1.323 267 A CA -0.280 51.782 52.037 0.041 0.000 0.913 267 A CB -1.492 17.634 19.000 0.210 0.000 1.028 267 A HN 0.337 nan 8.150 nan 0.000 0.511 268 H N -0.726 117.961 119.070 -0.637 0.000 2.546 268 H HA 0.084 4.639 4.556 -0.001 0.000 0.277 268 H C 0.732 175.921 175.328 -0.232 0.000 1.004 268 H CA 0.778 56.264 56.048 -0.936 0.000 1.231 268 H CB -0.212 29.158 29.762 -0.654 0.000 1.382 268 H HN 0.469 nan 8.280 nan 0.000 0.580 269 L N 0.886 121.801 121.223 -0.512 0.000 2.728 269 L HA 0.212 4.551 4.340 -0.001 0.000 0.235 269 L C 0.745 177.603 176.870 -0.020 0.000 1.197 269 L CA -0.366 54.306 54.840 -0.281 0.000 0.992 269 L CB -0.122 41.740 42.059 -0.329 0.000 1.263 269 L HN 0.106 nan 8.230 nan 0.000 0.484 270 M N 0.914 120.576 119.600 0.102 0.000 2.261 270 M HA -0.080 4.399 4.480 -0.001 0.000 0.350 270 M C -1.019 175.462 176.300 0.303 0.000 1.343 270 M CA 1.015 56.472 55.300 0.261 0.000 1.003 270 M CB 0.173 33.026 32.600 0.422 0.000 1.848 270 M HN 0.049 nan 8.290 nan 0.000 0.456 271 Y N 4.136 124.490 120.300 0.089 0.000 2.442 271 Y HA 0.231 4.780 4.550 -0.001 0.000 0.330 271 Y C -0.663 175.244 175.900 0.011 0.000 1.100 271 Y CA -1.520 56.544 58.100 -0.060 0.000 1.034 271 Y CB 1.141 39.415 38.460 -0.310 0.000 1.285 271 Y HN 0.765 nan 8.280 nan 0.000 0.440 272 D N 2.249 122.421 120.400 -0.379 0.000 2.424 272 D HA 0.279 4.918 4.640 -0.001 0.000 0.220 272 D C 1.442 177.524 176.300 -0.364 0.000 1.150 272 D CA 0.412 54.316 54.000 -0.160 0.000 0.831 272 D CB 0.244 41.018 40.800 -0.043 0.000 0.981 272 D HN 1.027 nan 8.370 nan 0.000 0.500 273 G N 2.011 110.126 108.800 -1.142 0.000 2.234 273 G HA2 -0.383 3.576 3.960 -0.001 0.000 0.260 273 G HA3 -0.383 3.576 3.960 -0.001 0.000 0.260 273 G C 1.079 175.685 174.900 -0.490 0.000 0.987 273 G CA 0.456 45.144 45.100 -0.687 0.000 0.625 273 G HN 0.617 nan 8.290 nan 0.000 0.532 274 R N -0.671 119.540 120.500 -0.481 0.000 2.526 274 R HA 0.357 4.696 4.340 -0.001 0.000 0.346 274 R C -0.613 175.627 176.300 -0.099 0.000 0.926 274 R CA 0.268 56.258 56.100 -0.183 0.000 1.147 274 R CB 0.492 30.725 30.300 -0.112 0.000 1.629 274 R HN 0.236 nan 8.270 nan 0.000 0.516 275 D N 0.966 121.300 120.400 -0.111 0.000 2.505 275 D HA 0.185 4.824 4.640 -0.001 0.000 0.250 275 D C -0.168 176.249 176.300 0.195 0.000 1.164 275 D CA -0.469 53.539 54.000 0.013 0.000 0.870 275 D CB 1.691 42.445 40.800 -0.075 0.000 1.160 275 D HN -0.051 nan 8.370 nan 0.000 0.549 276 D N 2.510 123.027 120.400 0.195 0.000 2.269 276 D HA -0.063 4.576 4.640 -0.001 0.000 0.208 276 D C -0.014 176.338 176.300 0.087 0.000 0.963 276 D CA 0.714 54.809 54.000 0.157 0.000 0.864 276 D CB 0.269 41.108 40.800 0.064 0.000 0.936 276 D HN 0.432 nan 8.370 nan 0.000 0.505 277 N N 0.519 119.245 118.700 0.045 0.000 2.538 277 N HA 0.082 4.821 4.740 -0.001 0.000 0.291 277 N C 0.990 176.426 175.510 -0.123 0.000 1.323 277 N CA -0.155 52.824 53.050 -0.118 0.000 0.934 277 N CB 0.841 39.099 38.487 -0.381 0.000 1.255 277 N HN -0.083 nan 8.380 nan 0.000 0.509 278 L N 0.062 121.359 121.223 0.124 0.000 2.012 278 L HA -0.039 4.300 4.340 -0.001 0.000 0.210 278 L C 1.699 178.766 176.870 0.329 0.000 1.073 278 L CA 1.729 56.685 54.840 0.194 0.000 0.748 278 L CB -0.560 41.603 42.059 0.173 0.000 0.891 278 L HN 0.290 nan 8.230 nan 0.000 0.431 279 F N 0.627 120.722 119.950 0.241 0.000 2.102 279 F HA -0.235 4.291 4.527 -0.001 0.000 0.298 279 F C 2.289 178.266 175.800 0.294 0.000 1.105 279 F CA 2.041 60.263 58.000 0.370 0.000 1.239 279 F CB -0.521 38.671 39.000 0.320 0.000 0.991 279 F HN 0.239 nan 8.300 nan 0.000 0.474 280 D N -0.930 119.488 120.400 0.030 0.000 2.144 280 D HA -0.202 4.437 4.640 -0.001 0.000 0.199 280 D C 2.063 178.311 176.300 -0.086 0.000 0.984 280 D CA 1.847 55.767 54.000 -0.134 0.000 0.834 280 D CB -0.668 40.040 40.800 -0.153 0.000 0.955 280 D HN 0.524 nan 8.370 nan 0.000 0.465 281 H N -0.875 118.252 119.070 0.094 0.000 2.389 281 H HA -0.074 4.481 4.556 -0.001 0.000 0.299 281 H C 1.880 177.406 175.328 0.331 0.000 1.081 281 H CA 0.816 56.964 56.048 0.166 0.000 1.345 281 H CB -0.047 29.744 29.762 0.048 0.000 1.393 281 H HN 0.104 nan 8.280 nan 0.000 0.520 282 F N 1.401 121.519 119.950 0.280 0.000 2.146 282 F HA -0.146 4.381 4.527 -0.001 0.000 0.298 282 F C 2.198 178.010 175.800 0.021 0.000 1.096 282 F CA 1.221 59.335 58.000 0.189 0.000 1.275 282 F CB -0.580 38.591 39.000 0.284 0.000 1.008 282 F HN -0.102 nan 8.300 nan 0.000 0.480 283 S N 0.904 116.240 115.700 -0.605 0.000 2.382 283 S HA -0.134 4.336 4.470 -0.001 0.000 0.228 283 S C 2.376 176.788 174.600 -0.313 0.000 1.027 283 S CA 1.072 58.863 58.200 -0.681 0.000 0.991 283 S CB -0.945 61.890 63.200 -0.609 0.000 0.823 283 S HN 0.591 nan 8.310 nan 0.000 0.469 284 A N 1.228 123.968 122.820 -0.134 0.000 1.908 284 A HA -0.085 4.234 4.320 -0.001 0.000 0.218 284 A C 2.323 179.891 177.584 -0.028 0.000 1.181 284 A CA 1.758 53.776 52.037 -0.033 0.000 0.627 284 A CB -0.912 18.130 19.000 0.071 0.000 0.818 284 A HN 0.370 nan 8.150 nan 0.000 0.445 285 V N -0.305 119.603 119.914 -0.010 0.000 2.427 285 V HA -0.184 3.935 4.120 -0.001 0.000 0.248 285 V C 2.981 179.036 176.094 -0.066 0.000 1.051 285 V CA 1.762 64.056 62.300 -0.011 0.000 1.048 285 V CB -1.326 30.494 31.823 -0.004 0.000 0.666 285 V HN 0.605 nan 8.190 nan 0.000 0.456 286 A N 0.062 122.784 122.820 -0.164 0.000 1.898 286 A HA -0.275 4.044 4.320 -0.001 0.000 0.216 286 A C 2.223 179.750 177.584 -0.096 0.000 1.181 286 A CA 2.091 54.033 52.037 -0.158 0.000 0.620 286 A CB -0.504 18.316 19.000 -0.300 0.000 0.819 286 A HN 0.561 nan 8.150 nan 0.000 0.442 287 Q N 0.115 119.851 119.800 -0.108 0.000 2.002 287 Q HA -0.193 4.146 4.340 -0.001 0.000 0.204 287 Q C 2.238 178.205 176.000 -0.055 0.000 0.988 287 Q CA 2.307 58.059 55.803 -0.085 0.000 0.843 287 Q CB -0.392 28.295 28.738 -0.085 0.000 0.908 287 Q HN 0.595 nan 8.270 nan 0.000 0.420 288 R N -0.725 119.752 120.500 -0.037 0.000 2.105 288 R HA -0.137 4.202 4.340 -0.001 0.000 0.239 288 R C 1.797 178.094 176.300 -0.005 0.000 1.135 288 R CA 1.516 57.609 56.100 -0.013 0.000 0.967 288 R CB -0.207 30.096 30.300 0.006 0.000 0.861 288 R HN 0.344 nan 8.270 nan 0.000 0.442 289 L N -0.530 120.689 121.223 -0.007 0.000 2.395 289 L HA 0.151 4.490 4.340 -0.001 0.000 0.218 289 L C 1.375 178.243 176.870 -0.004 0.000 1.130 289 L CA 1.511 56.358 54.840 0.010 0.000 0.826 289 L CB -0.041 42.029 42.059 0.018 0.000 0.941 289 L HN 0.538 nan 8.230 nan 0.000 0.451 290 G N -1.526 107.258 108.800 -0.025 0.000 2.137 290 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.237 290 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.237 290 G C 0.906 175.786 174.900 -0.034 0.000 1.002 290 G CA 0.348 45.427 45.100 -0.035 0.000 0.702 290 G HN 0.152 nan 8.290 nan 0.000 0.515 291 V N -1.455 118.443 119.914 -0.026 0.000 2.407 291 V HA 0.239 4.358 4.120 -0.001 0.000 0.245 291 V C 0.812 176.942 176.094 0.061 0.000 1.041 291 V CA 2.025 64.314 62.300 -0.017 0.000 1.040 291 V CB -0.034 31.760 31.823 -0.049 0.000 0.671 291 V HN 0.672 nan 8.190 nan 0.000 0.455 292 Y N 1.001 121.239 120.300 -0.103 0.000 2.301 292 Y HA 0.433 4.982 4.550 -0.001 0.000 0.334 292 Y C 0.088 175.949 175.900 -0.066 0.000 1.158 292 Y CA -1.100 56.952 58.100 -0.079 0.000 1.266 292 Y CB 0.729 39.144 38.460 -0.075 0.000 1.153 292 Y HN 0.172 nan 8.280 nan 0.000 0.453 293 T N 0.290 114.617 114.554 -0.378 0.000 2.881 293 T HA 0.640 4.989 4.350 -0.001 0.000 0.278 293 T C 1.272 175.725 174.700 -0.411 0.000 0.982 293 T CA -0.181 61.739 62.100 -0.300 0.000 0.989 293 T CB 1.737 70.499 68.868 -0.177 0.000 1.058 293 T HN 0.696 nan 8.240 nan 0.000 0.529 294 A N 0.119 122.809 122.820 -0.217 0.000 2.067 294 A HA 0.018 4.337 4.320 -0.001 0.000 0.219 294 A C 2.256 179.792 177.584 -0.080 0.000 1.158 294 A CA 1.559 53.511 52.037 -0.141 0.000 0.661 294 A CB -0.846 18.099 19.000 -0.092 0.000 0.801 294 A HN 0.963 nan 8.150 nan 0.000 0.452 295 K N 0.029 120.369 120.400 -0.101 0.000 2.148 295 K HA -0.155 4.164 4.320 -0.001 0.000 0.204 295 K C 1.138 177.707 176.600 -0.051 0.000 1.050 295 K CA 1.512 57.769 56.287 -0.050 0.000 0.942 295 K CB -0.192 32.275 32.500 -0.056 0.000 0.724 295 K HN 0.458 nan 8.250 nan 0.000 0.446 296 D N -0.222 120.077 120.400 -0.168 0.000 2.178 296 D HA -0.198 4.442 4.640 -0.001 0.000 0.201 296 D C 1.638 177.915 176.300 -0.038 0.000 0.980 296 D CA 1.024 54.920 54.000 -0.174 0.000 0.842 296 D CB -0.101 40.466 40.800 -0.387 0.000 0.948 296 D HN 0.293 nan 8.370 nan 0.000 0.472 297 Y N 1.993 122.235 120.300 -0.097 0.000 2.128 297 Y HA -0.249 4.300 4.550 -0.001 0.000 0.284 297 Y C 2.396 178.428 175.900 0.221 0.000 1.154 297 Y CA 1.920 60.148 58.100 0.213 0.000 1.149 297 Y CB -0.299 38.296 38.460 0.225 0.000 0.976 297 Y HN -0.070 nan 8.280 nan 0.000 0.505 298 A N 0.025 123.044 122.820 0.332 0.000 1.877 298 A HA -0.198 4.121 4.320 -0.001 0.000 0.216 298 A C 1.842 179.497 177.584 0.119 0.000 1.186 298 A CA 2.034 54.204 52.037 0.222 0.000 0.620 298 A CB -1.080 18.015 19.000 0.158 0.000 0.822 298 A HN 0.563 nan 8.150 nan 0.000 0.443 299 D N -0.068 120.374 120.400 0.070 0.000 2.158 299 D HA -0.157 4.482 4.640 -0.001 0.000 0.197 299 D C 1.701 178.030 176.300 0.049 0.000 0.995 299 D CA 1.493 55.520 54.000 0.044 0.000 0.846 299 D CB -0.243 40.559 40.800 0.004 0.000 0.941 299 D HN 0.543 nan 8.370 nan 0.000 0.456 300 I N -0.243 120.317 120.570 -0.018 0.000 2.252 300 I HA -0.197 3.973 4.170 -0.001 0.000 0.245 300 I C 1.920 178.079 176.117 0.070 0.000 1.102 300 I CA 0.341 61.583 61.300 -0.097 0.000 1.385 300 I CB -0.050 37.634 38.000 -0.525 0.000 1.064 300 I HN 0.053 nan 8.210 nan 0.000 0.414 301 L N 0.789 122.095 121.223 0.138 0.000 2.017 301 L HA -0.230 4.109 4.340 -0.001 0.000 0.208 301 L C 2.504 179.501 176.870 0.212 0.000 1.073 301 L CA 1.844 56.839 54.840 0.257 0.000 0.745 301 L CB -0.812 41.372 42.059 0.209 0.000 0.894 301 L HN 0.228 nan 8.230 nan 0.000 0.432 302 E N -1.451 118.834 120.200 0.140 0.000 2.085 302 E HA -0.295 4.054 4.350 -0.001 0.000 0.194 302 E C 2.218 178.871 176.600 0.087 0.000 0.994 302 E CA 1.346 57.805 56.400 0.099 0.000 0.801 302 E CB -0.222 29.526 29.700 0.079 0.000 0.743 302 E HN 0.414 nan 8.360 nan 0.000 0.453 303 F N 1.098 121.026 119.950 -0.037 0.000 2.102 303 F HA -0.175 4.352 4.527 -0.001 0.000 0.298 303 F C 1.837 177.530 175.800 -0.178 0.000 1.105 303 F CA 1.373 59.314 58.000 -0.099 0.000 1.239 303 F CB -0.237 38.690 39.000 -0.123 0.000 0.991 303 F HN -0.028 nan 8.300 nan 0.000 0.474 304 L N -0.474 120.599 121.223 -0.249 0.000 2.083 304 L HA -0.215 4.124 4.340 -0.001 0.000 0.209 304 L C 2.403 179.072 176.870 -0.336 0.000 1.083 304 L CA 1.016 55.472 54.840 -0.639 0.000 0.752 304 L CB -0.955 40.860 42.059 -0.406 0.000 0.899 304 L HN 0.076 nan 8.230 nan 0.000 0.433 305 V N 0.338 120.320 119.914 0.114 0.000 2.295 305 V HA -0.222 3.898 4.120 -0.001 0.000 0.246 305 V C 2.600 178.690 176.094 -0.007 0.000 1.049 305 V CA 2.153 64.600 62.300 0.246 0.000 1.024 305 V CB -1.188 30.738 31.823 0.171 0.000 0.648 305 V HN 0.569 nan 8.190 nan 0.000 0.447 306 G N -0.822 107.894 108.800 -0.140 0.000 2.422 306 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.218 306 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.218 306 G C 1.737 176.445 174.900 -0.320 0.000 1.140 306 G CA 0.367 45.353 45.100 -0.190 0.000 0.775 306 G HN 0.270 nan 8.290 nan 0.000 0.545 307 R N -0.249 119.887 120.500 -0.607 0.000 2.090 307 R HA -0.020 4.319 4.340 -0.001 0.000 0.228 307 R C 1.783 177.835 176.300 -0.414 0.000 1.110 307 R CA 0.789 56.452 56.100 -0.728 0.000 0.973 307 R CB -0.338 29.159 30.300 -1.339 0.000 0.869 307 R HN 0.481 nan 8.270 nan 0.000 0.440 308 W N 1.056 122.202 121.300 -0.256 0.000 3.290 308 W HA 0.200 4.860 4.660 -0.001 0.000 0.287 308 W C 0.319 176.610 176.519 -0.380 0.000 1.288 308 W CA -0.281 56.884 57.345 -0.300 0.000 1.725 308 W CB -0.054 29.190 29.460 -0.360 0.000 1.103 308 W HN 0.076 nan 8.180 nan 0.000 0.670 309 K N 0.143 120.486 120.400 -0.096 0.000 3.148 309 K HA -0.204 4.115 4.320 -0.001 0.000 0.267 309 K C 0.902 177.421 176.600 -0.135 0.000 0.996 309 K CA 0.332 56.558 56.287 -0.102 0.000 0.737 309 K CB -1.555 30.897 32.500 -0.080 0.000 1.308 309 K HN -0.040 nan 8.250 nan 0.000 0.470 310 V N 0.793 120.634 119.914 -0.123 0.000 2.332 310 V HA -0.309 3.810 4.120 -0.001 0.000 0.248 310 V C 2.171 178.248 176.094 -0.029 0.000 1.055 310 V CA 2.451 64.691 62.300 -0.100 0.000 1.038 310 V CB -0.383 31.488 31.823 0.080 0.000 0.651 310 V HN 0.581 nan 8.190 nan 0.000 0.450 311 D N -0.264 120.127 120.400 -0.014 0.000 2.351 311 D HA -0.161 4.479 4.640 -0.001 0.000 0.216 311 D C 1.742 178.038 176.300 -0.008 0.000 0.968 311 D CA 0.777 54.775 54.000 -0.004 0.000 0.899 311 D CB -0.325 40.472 40.800 -0.005 0.000 0.907 311 D HN 0.325 nan 8.370 nan 0.000 0.514 312 K N 0.083 120.470 120.400 -0.022 0.000 2.323 312 K HA 0.163 4.482 4.320 -0.001 0.000 0.197 312 K C 0.930 177.526 176.600 -0.007 0.000 1.043 312 K CA -0.212 56.065 56.287 -0.016 0.000 0.997 312 K CB 0.228 32.713 32.500 -0.025 0.000 0.807 312 K HN 0.278 nan 8.250 nan 0.000 0.497 313 L N 2.932 124.150 121.223 -0.008 0.000 2.578 313 L HA -0.064 4.275 4.340 -0.001 0.000 0.279 313 L C 0.748 177.635 176.870 0.029 0.000 1.227 313 L CA 0.446 55.297 54.840 0.019 0.000 0.900 313 L CB -0.137 41.950 42.059 0.047 0.000 1.144 313 L HN 0.197 nan 8.230 nan 0.000 0.496 314 T N -1.167 113.406 114.554 0.031 0.000 2.930 314 T HA 0.618 4.967 4.350 -0.001 0.000 0.290 314 T C 0.518 175.237 174.700 0.031 0.000 1.052 314 T CA -0.296 61.820 62.100 0.027 0.000 1.017 314 T CB 1.829 70.709 68.868 0.019 0.000 1.137 314 T HN 0.951 nan 8.240 nan 0.000 0.511 315 G N 1.023 109.839 108.800 0.026 0.000 2.370 315 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.293 315 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.293 315 G C -0.354 174.563 174.900 0.030 0.000 0.992 315 G CA 0.064 45.179 45.100 0.024 0.000 1.247 315 G HN 0.846 nan 8.290 nan 0.000 0.505 316 L N 0.304 121.547 121.223 0.034 0.000 2.331 316 L HA 0.640 4.979 4.340 -0.001 0.000 0.275 316 L C 1.278 178.164 176.870 0.027 0.000 1.022 316 L CA -0.685 54.178 54.840 0.039 0.000 0.812 316 L CB 1.757 43.849 42.059 0.055 0.000 1.257 316 L HN 0.399 nan 8.230 nan 0.000 0.435 317 S N 1.247 116.960 115.700 0.022 0.000 2.572 317 S HA 0.087 4.556 4.470 -0.001 0.000 0.267 317 S C 1.344 175.951 174.600 0.012 0.000 1.361 317 S CA 0.280 58.487 58.200 0.012 0.000 1.009 317 S CB 1.112 64.315 63.200 0.004 0.000 0.888 317 S HN 0.719 nan 8.310 nan 0.000 0.553 318 A N 2.648 125.471 122.820 0.006 0.000 1.948 318 A HA -0.113 4.206 4.320 -0.001 0.000 0.220 318 A C 2.155 179.742 177.584 0.005 0.000 1.177 318 A CA 1.814 53.855 52.037 0.005 0.000 0.636 318 A CB -0.764 18.236 19.000 0.000 0.000 0.815 318 A HN 0.932 nan 8.150 nan 0.000 0.449 319 E N -0.976 119.223 120.200 -0.001 0.000 2.051 319 E HA -0.086 4.264 4.350 -0.001 0.000 0.189 319 E C 2.244 178.849 176.600 0.008 0.000 0.979 319 E CA 0.917 57.313 56.400 -0.006 0.000 0.803 319 E CB -0.481 29.209 29.700 -0.017 0.000 0.761 319 E HN 0.596 nan 8.360 nan 0.000 0.451 320 G N 1.321 110.131 108.800 0.018 0.000 2.448 320 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.219 320 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.219 320 G C 1.461 176.393 174.900 0.054 0.000 1.127 320 G CA 0.614 45.738 45.100 0.041 0.000 0.766 320 G HN 0.201 nan 8.290 nan 0.000 0.552 321 Q N 0.100 119.923 119.800 0.039 0.000 2.083 321 Q HA -0.055 4.284 4.340 -0.001 0.000 0.198 321 Q C 2.443 178.470 176.000 0.045 0.000 0.969 321 Q CA 1.499 57.327 55.803 0.041 0.000 0.838 321 Q CB -0.158 28.597 28.738 0.028 0.000 0.900 321 Q HN 0.520 nan 8.270 nan 0.000 0.436 322 K N -0.101 120.319 120.400 0.033 0.000 2.026 322 K HA -0.149 4.170 4.320 -0.001 0.000 0.208 322 K C 1.943 178.580 176.600 0.062 0.000 1.048 322 K CA 1.263 57.570 56.287 0.033 0.000 0.929 322 K CB -0.262 32.239 32.500 0.001 0.000 0.713 322 K HN 0.231 nan 8.250 nan 0.000 0.439 323 A N 1.382 124.236 122.820 0.056 0.000 1.851 323 A HA -0.282 4.037 4.320 -0.001 0.000 0.216 323 A C 2.208 179.874 177.584 0.136 0.000 1.195 323 A CA 1.922 54.015 52.037 0.093 0.000 0.622 323 A CB -0.993 18.053 19.000 0.076 0.000 0.831 323 A HN 0.634 nan 8.150 nan 0.000 0.444 324 Q N -0.357 119.511 119.800 0.113 0.000 2.077 324 Q HA -0.323 4.016 4.340 -0.001 0.000 0.206 324 Q C 1.818 177.862 176.000 0.073 0.000 0.989 324 Q CA 2.531 58.396 55.803 0.103 0.000 0.853 324 Q CB -0.356 28.439 28.738 0.095 0.000 0.907 324 Q HN 0.715 nan 8.270 nan 0.000 0.418 325 D N -0.921 119.526 120.400 0.079 0.000 2.097 325 D HA -0.232 4.407 4.640 -0.001 0.000 0.195 325 D C 1.875 178.224 176.300 0.082 0.000 0.989 325 D CA 1.490 55.531 54.000 0.067 0.000 0.827 325 D CB -0.440 40.401 40.800 0.067 0.000 0.966 325 D HN 0.435 nan 8.370 nan 0.000 0.456 326 Y N 0.649 120.938 120.300 -0.020 0.000 2.081 326 Y HA -0.223 4.326 4.550 -0.001 0.000 0.280 326 Y C 2.166 178.031 175.900 -0.059 0.000 1.163 326 Y CA 1.672 59.754 58.100 -0.031 0.000 1.135 326 Y CB -0.681 37.760 38.460 -0.031 0.000 0.970 326 Y HN -0.044 nan 8.280 nan 0.000 0.498 327 V N -0.865 118.998 119.914 -0.086 0.000 2.287 327 V HA -0.388 3.731 4.120 -0.001 0.000 0.248 327 V C 2.613 178.573 176.094 -0.224 0.000 1.053 327 V CA 2.015 64.141 62.300 -0.290 0.000 1.027 327 V CB -1.097 30.543 31.823 -0.305 0.000 0.646 327 V HN 0.657 nan 8.190 nan 0.000 0.447 328 C N -0.191 119.048 119.300 -0.102 0.000 2.435 328 C HA -0.081 4.378 4.460 -0.001 0.000 0.279 328 C C 2.717 177.667 174.990 -0.066 0.000 1.321 328 C CA 0.707 59.690 59.018 -0.058 0.000 1.752 328 C CB -1.218 26.513 27.740 -0.015 0.000 1.959 328 C HN 0.517 nan 8.230 nan 0.000 0.500 329 R N -0.228 120.220 120.500 -0.087 0.000 2.246 329 R HA 0.103 4.442 4.340 -0.001 0.000 0.199 329 R C 1.908 178.139 176.300 -0.115 0.000 0.984 329 R CA 0.231 56.286 56.100 -0.074 0.000 1.015 329 R CB -0.319 29.958 30.300 -0.039 0.000 0.930 329 R HN 0.360 nan 8.270 nan 0.000 0.475 330 L N 1.946 123.036 121.223 -0.222 0.000 1.989 330 L HA -0.090 4.249 4.340 -0.001 0.000 0.211 330 L C -0.912 175.902 176.870 -0.092 0.000 1.071 330 L CA 2.018 56.716 54.840 -0.237 0.000 0.749 330 L CB -0.851 40.945 42.059 -0.437 0.000 0.890 330 L HN -0.014 nan 8.230 nan 0.000 0.431 331 P HA -0.182 nan 4.420 nan 0.000 0.216 331 P C -1.341 175.969 177.300 0.017 0.000 1.167 331 P CA 2.384 65.493 63.100 0.015 0.000 0.914 331 P CB -1.104 30.610 31.700 0.023 0.000 0.793 332 P HA -0.092 nan 4.420 nan 0.000 0.220 332 P C 1.542 178.843 177.300 0.002 0.000 1.148 332 P CA 1.220 64.322 63.100 0.004 0.000 0.803 332 P CB -0.306 31.393 31.700 -0.002 0.000 0.782 333 R N 0.274 120.769 120.500 -0.009 0.000 2.066 333 R HA -0.089 4.250 4.340 -0.001 0.000 0.232 333 R C 2.051 178.353 176.300 0.004 0.000 1.131 333 R CA 1.536 57.632 56.100 -0.008 0.000 0.955 333 R CB -0.787 29.498 30.300 -0.025 0.000 0.851 333 R HN 0.137 nan 8.270 nan 0.000 0.432 334 I N 0.394 120.973 120.570 0.015 0.000 2.252 334 I HA -0.242 3.927 4.170 -0.001 0.000 0.245 334 I C 2.788 178.923 176.117 0.031 0.000 1.102 334 I CA 0.975 62.296 61.300 0.034 0.000 1.385 334 I CB -0.460 37.596 38.000 0.093 0.000 1.064 334 I HN 0.180 nan 8.210 nan 0.000 0.414 335 R N 1.231 121.752 120.500 0.035 0.000 2.113 335 R HA -0.227 4.113 4.340 -0.001 0.000 0.244 335 R C 2.508 178.814 176.300 0.010 0.000 1.142 335 R CA 2.024 58.139 56.100 0.025 0.000 0.953 335 R CB -0.345 29.968 30.300 0.021 0.000 0.860 335 R HN 0.377 nan 8.270 nan 0.000 0.438 336 R N 0.078 120.583 120.500 0.008 0.000 2.096 336 R HA -0.144 4.195 4.340 -0.001 0.000 0.235 336 R C 2.295 178.595 176.300 -0.000 0.000 1.127 336 R CA 1.154 57.255 56.100 0.003 0.000 0.968 336 R CB -0.406 29.896 30.300 0.003 0.000 0.861 336 R HN 0.162 nan 8.270 nan 0.000 0.440 337 L N 1.310 122.533 121.223 0.000 0.000 1.973 337 L HA -0.113 4.226 4.340 -0.001 0.000 0.208 337 L C 1.368 178.231 176.870 -0.012 0.000 1.073 337 L CA 1.871 56.708 54.840 -0.005 0.000 0.746 337 L CB -0.207 41.848 42.059 -0.006 0.000 0.891 337 L HN 0.063 nan 8.230 nan 0.000 0.433 338 E N -0.786 119.405 120.200 -0.015 0.000 2.502 338 E HA -0.138 4.211 4.350 -0.001 0.000 0.194 338 E C 1.635 178.221 176.600 -0.024 0.000 1.062 338 E CA 0.402 56.786 56.400 -0.026 0.000 0.867 338 E CB 0.132 29.808 29.700 -0.040 0.000 0.888 338 E HN 0.647 nan 8.360 nan 0.000 0.510 339 E N 1.764 121.955 120.200 -0.015 0.000 2.051 339 E HA -0.111 4.238 4.350 -0.001 0.000 0.189 339 E C 1.076 177.666 176.600 -0.017 0.000 0.979 339 E CA 0.453 56.843 56.400 -0.016 0.000 0.803 339 E CB 0.299 29.994 29.700 -0.009 0.000 0.761 339 E HN -0.064 nan 8.360 nan 0.000 0.451 340 R N 0.646 121.138 120.500 -0.013 0.000 2.369 340 R HA 0.367 4.706 4.340 -0.001 0.000 0.310 340 R C -1.418 174.875 176.300 -0.012 0.000 1.141 340 R CA -0.100 55.993 56.100 -0.011 0.000 1.116 340 R CB 0.981 31.277 30.300 -0.007 0.000 1.135 340 R HN 0.075 nan 8.270 nan 0.000 0.529 341 A N 4.435 127.247 122.820 -0.014 0.000 2.621 341 A HA 0.123 4.442 4.320 -0.001 0.000 0.329 341 A C -0.231 177.348 177.584 -0.008 0.000 1.458 341 A CA -0.410 51.620 52.037 -0.013 0.000 1.052 341 A CB 0.424 19.414 19.000 -0.018 0.000 1.142 341 A HN 0.776 nan 8.150 nan 0.000 0.523 342 Q N 2.287 122.084 119.800 -0.005 0.000 2.681 342 Q HA 0.468 4.808 4.340 -0.001 0.000 0.222 342 Q C 0.790 176.790 176.000 0.000 0.000 1.258 342 Q CA 0.507 56.309 55.803 -0.002 0.000 1.014 342 Q CB -0.018 28.719 28.738 -0.002 0.000 1.384 342 Q HN 0.949 nan 8.270 nan 0.000 0.570 343 G N 2.597 111.398 108.800 0.001 0.000 4.426 343 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.182 343 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.182 343 G C 0.814 175.718 174.900 0.007 0.000 1.373 343 G CA -0.087 45.016 45.100 0.005 0.000 0.879 343 G HN 0.431 nan 8.290 nan 0.000 0.294 344 R N 1.652 122.156 120.500 0.006 0.000 2.189 344 R HA 0.398 4.737 4.340 -0.001 0.000 0.218 344 R C 2.630 178.934 176.300 0.008 0.000 1.074 344 R CA 2.182 58.288 56.100 0.010 0.000 0.991 344 R CB -0.516 29.788 30.300 0.007 0.000 0.883 344 R HN 0.459 nan 8.270 nan 0.000 0.457 345 A N 0.485 123.307 122.820 0.002 0.000 1.908 345 A HA -0.160 4.159 4.320 -0.001 0.000 0.218 345 A C 1.676 179.264 177.584 0.006 0.000 1.181 345 A CA 1.773 53.810 52.037 0.001 0.000 0.627 345 A CB -0.129 18.869 19.000 -0.002 0.000 0.818 345 A HN 0.294 nan 8.150 nan 0.000 0.445 346 K N -1.980 118.425 120.400 0.007 0.000 2.493 346 K HA 0.105 4.424 4.320 -0.001 0.000 0.201 346 K C 0.679 177.286 176.600 0.011 0.000 1.355 346 K CA 0.275 56.567 56.287 0.010 0.000 0.953 346 K CB 0.462 32.967 32.500 0.007 0.000 1.316 346 K HN 0.456 nan 8.250 nan 0.000 0.522 347 E N 2.055 122.262 120.200 0.010 0.000 2.335 347 E HA 0.104 4.454 4.350 -0.001 0.000 0.191 347 E C -0.340 176.268 176.600 0.014 0.000 1.150 347 E CA -0.296 56.111 56.400 0.011 0.000 1.001 347 E CB 0.201 29.906 29.700 0.009 0.000 1.127 347 E HN 0.171 nan 8.360 nan 0.000 0.462 348 A N 3.241 126.072 122.820 0.017 0.000 2.354 348 A HA 0.254 4.573 4.320 -0.001 0.000 0.281 348 A C -1.826 175.771 177.584 0.021 0.000 1.174 348 A CA -1.309 50.742 52.037 0.023 0.000 0.828 348 A CB 0.077 19.094 19.000 0.029 0.000 1.099 348 A HN 0.047 nan 8.150 nan 0.000 0.516 349 P HA 0.253 nan 4.420 nan 0.000 0.275 349 P C -0.198 177.107 177.300 0.008 0.000 1.266 349 P CA -0.066 63.037 63.100 0.005 0.000 0.793 349 P CB 0.560 32.255 31.700 -0.008 0.000 1.074 350 T N 0.752 115.307 114.554 0.001 0.000 2.907 350 T HA 0.613 4.963 4.350 -0.001 0.000 0.284 350 T C 0.099 174.782 174.700 -0.029 0.000 1.004 350 T CA -0.267 61.840 62.100 0.013 0.000 1.063 350 T CB 0.517 69.399 68.868 0.023 0.000 0.992 350 T HN 0.510 nan 8.240 nan 0.000 0.483 351 M N 3.698 123.285 119.600 -0.022 0.000 2.421 351 M HA 0.516 4.995 4.480 -0.001 0.000 0.287 351 M C -2.953 173.284 176.300 -0.105 0.000 1.183 351 M CA -1.983 53.228 55.300 -0.148 0.000 0.916 351 M CB 2.775 35.166 32.600 -0.348 0.000 1.701 351 M HN 0.237 nan 8.290 nan 0.000 0.470 352 P HA 0.358 nan 4.420 nan 0.000 0.284 352 P C -1.634 175.505 177.300 -0.268 0.000 1.253 352 P CA -0.004 63.044 63.100 -0.086 0.000 0.800 352 P CB 0.576 32.230 31.700 -0.077 0.000 0.961 353 F N 0.653 120.545 119.950 -0.097 0.000 2.507 353 F HA 0.176 4.702 4.527 -0.001 0.000 0.325 353 F C 1.894 177.607 175.800 -0.145 0.000 1.116 353 F CA -0.211 57.672 58.000 -0.195 0.000 0.930 353 F CB 1.825 40.716 39.000 -0.180 0.000 1.146 353 F HN 0.275 nan 8.300 nan 0.000 0.447 354 S N 1.781 117.437 115.700 -0.073 0.000 2.447 354 S HA -0.149 4.320 4.470 -0.001 0.000 0.233 354 S C 1.502 176.142 174.600 0.067 0.000 1.006 354 S CA 0.468 58.658 58.200 -0.017 0.000 0.957 354 S CB -0.317 62.855 63.200 -0.045 0.000 0.773 354 S HN 0.703 nan 8.310 nan 0.000 0.507 355 W N 2.715 124.029 121.300 0.024 0.000 2.421 355 W HA 0.219 4.879 4.660 -0.001 0.000 0.270 355 W C 1.528 177.927 176.519 -0.198 0.000 1.233 355 W CA -0.043 57.260 57.345 -0.069 0.000 1.226 355 W CB -0.722 28.745 29.460 0.011 0.000 1.121 355 W HN 0.508 nan 8.180 nan 0.000 0.579 356 I N -4.897 115.732 120.570 0.098 0.000 3.399 356 I HA 0.289 4.459 4.170 -0.001 0.000 0.345 356 I C -0.344 175.833 176.117 0.100 0.000 1.512 356 I CA -0.821 60.487 61.300 0.012 0.000 1.047 356 I CB -1.042 37.044 38.000 0.143 0.000 1.552 356 I HN -0.274 nan 8.210 nan 0.000 0.494 357 F N 0.985 120.995 119.950 0.101 0.000 3.093 357 F HA -0.281 4.245 4.527 -0.001 0.000 0.287 357 F C 0.643 176.473 175.800 0.050 0.000 0.882 357 F CA 1.236 59.272 58.000 0.060 0.000 1.063 357 F CB -2.373 36.645 39.000 0.031 0.000 1.097 357 F HN 0.603 nan 8.300 nan 0.000 0.604 358 D N -1.450 119.050 120.400 0.165 0.000 3.041 358 D HA -0.226 4.413 4.640 -0.001 0.000 0.220 358 D C 0.732 177.100 176.300 0.113 0.000 1.157 358 D CA 1.097 55.159 54.000 0.104 0.000 0.876 358 D CB -0.578 40.262 40.800 0.068 0.000 1.107 358 D HN 0.549 nan 8.370 nan 0.000 0.422 359 R N 0.211 120.806 120.500 0.158 0.000 2.641 359 R HA 0.325 4.664 4.340 -0.001 0.000 0.269 359 R C 0.802 177.191 176.300 0.149 0.000 1.074 359 R CA 0.097 56.279 56.100 0.138 0.000 1.133 359 R CB 0.655 31.044 30.300 0.149 0.000 1.029 359 R HN 0.186 nan 8.270 nan 0.000 0.488 360 Q N 0.997 120.869 119.800 0.120 0.000 2.274 360 Q HA 0.475 4.814 4.340 -0.001 0.000 0.260 360 Q C -0.641 175.446 176.000 0.145 0.000 0.974 360 Q CA -0.879 55.003 55.803 0.131 0.000 0.876 360 Q CB 2.346 31.123 28.738 0.065 0.000 1.297 360 Q HN 0.429 nan 8.270 nan 0.000 0.446 361 V N -1.594 118.439 119.914 0.198 0.000 3.001 361 V HA 0.579 4.699 4.120 -0.001 0.000 0.314 361 V C -0.661 175.524 176.094 0.151 0.000 1.099 361 V CA -1.260 61.136 62.300 0.160 0.000 0.989 361 V CB 1.839 33.746 31.823 0.141 0.000 1.040 361 V HN 0.729 nan 8.190 nan 0.000 0.434 362 K N 1.728 122.191 120.400 0.105 0.000 2.326 362 K HA 0.451 4.770 4.320 -0.001 0.000 0.275 362 K C -0.656 176.006 176.600 0.103 0.000 1.018 362 K CA -0.441 55.896 56.287 0.084 0.000 0.962 362 K CB 0.909 33.445 32.500 0.059 0.000 0.953 362 K HN 0.650 nan 8.250 nan 0.000 0.475 363 L N 0.000 121.277 121.223 0.090 0.000 2.949 363 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 363 L CA 0.000 54.902 54.840 0.104 0.000 0.813 363 L CB 0.000 42.116 42.059 0.094 0.000 0.961 363 L HN 0.000 nan 8.230 nan 0.000 0.502