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_B 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 0.000 175.801 176.300 -0.832 0.000 1.140 19 M CA 0.000 55.109 55.300 -0.318 0.000 0.988 19 M CB 0.000 32.484 32.600 -0.193 0.000 1.302 20 P HA 0.225 nan 4.420 nan 0.000 0.267 20 P C -2.616 174.424 177.300 -0.433 0.000 1.200 20 P CA -0.187 62.495 63.100 -0.696 0.000 0.772 20 P CB -0.400 31.151 31.700 -0.248 0.000 0.855 21 P HA 0.316 nan 4.420 nan 0.000 0.275 21 P C -0.335 176.865 177.300 -0.166 0.000 1.227 21 P CA -0.033 62.934 63.100 -0.221 0.000 0.781 21 P CB 0.786 32.388 31.700 -0.163 0.000 0.906 22 R N 1.223 121.648 120.500 -0.126 0.000 2.832 22 R HA 0.293 4.632 4.340 -0.001 0.000 0.271 22 R C -0.138 176.113 176.300 -0.082 0.000 0.996 22 R CA -0.871 55.170 56.100 -0.098 0.000 0.977 22 R CB 1.177 31.431 30.300 -0.078 0.000 1.168 22 R HN 0.432 nan 8.270 nan 0.000 0.482 23 E N 1.589 121.754 120.200 -0.059 0.000 2.465 23 E HA -0.037 4.312 4.350 -0.001 0.000 0.260 23 E C 0.769 177.307 176.600 -0.104 0.000 0.980 23 E CA 0.239 56.614 56.400 -0.041 0.000 0.927 23 E CB 0.907 30.611 29.700 0.007 0.000 0.934 23 E HN 0.469 nan 8.360 nan 0.000 0.459 24 V N 0.119 119.896 119.914 -0.229 0.000 3.647 24 V HA 0.111 4.231 4.120 -0.001 0.000 0.279 24 V C 0.418 176.364 176.094 -0.247 0.000 1.314 24 V CA 0.203 62.352 62.300 -0.252 0.000 1.125 24 V CB -0.703 30.955 31.823 -0.274 0.000 0.907 24 V HN 0.464 nan 8.190 nan 0.000 0.434 25 H N 0.419 119.493 119.070 0.006 0.000 2.502 25 H HA 0.656 5.212 4.556 -0.001 0.000 0.338 25 H C -0.023 175.297 175.328 -0.014 0.000 1.155 25 H CA -0.691 55.354 56.048 -0.006 0.000 1.237 25 H CB 1.896 31.652 29.762 -0.010 0.000 1.534 25 H HN 0.226 nan 8.280 nan 0.000 0.523 26 V N 0.659 120.646 119.914 0.121 0.000 2.673 26 V HA -0.020 4.100 4.120 -0.001 0.000 0.303 26 V C 0.448 176.560 176.094 0.029 0.000 1.046 26 V CA -0.642 61.686 62.300 0.047 0.000 1.126 26 V CB 0.550 32.388 31.823 0.025 0.000 0.934 26 V HN 0.828 nan 8.190 nan 0.000 0.487 27 Q N 3.512 123.315 119.800 0.005 0.000 2.307 27 Q HA 0.447 4.787 4.340 -0.001 0.000 0.261 27 Q C -1.078 174.899 176.000 -0.038 0.000 1.051 27 Q CA -0.386 55.405 55.803 -0.018 0.000 0.911 27 Q CB 1.227 29.950 28.738 -0.025 0.000 1.227 27 Q HN 0.776 nan 8.270 nan 0.000 0.418 28 V N 4.546 124.427 119.914 -0.055 0.000 2.435 28 V HA 0.477 4.597 4.120 -0.001 0.000 0.290 28 V C 0.155 176.180 176.094 -0.116 0.000 1.030 28 V CA -0.430 61.828 62.300 -0.069 0.000 0.881 28 V CB 1.673 33.457 31.823 -0.064 0.000 0.983 28 V HN 0.982 nan 8.190 nan 0.000 0.445 29 T N 0.329 114.803 114.554 -0.133 0.000 2.924 29 T HA 0.504 4.854 4.350 -0.001 0.000 0.291 29 T C -0.171 174.405 174.700 -0.207 0.000 1.045 29 T CA -0.579 61.355 62.100 -0.277 0.000 1.015 29 T CB 1.210 69.858 68.868 -0.367 0.000 1.103 29 T HN 0.779 nan 8.240 nan 0.000 0.496 30 H N 0.668 119.701 119.070 -0.062 0.000 2.592 30 H HA -0.159 4.396 4.556 -0.001 0.000 0.323 30 H C 1.405 176.694 175.328 -0.065 0.000 1.117 30 H CA 0.773 56.782 56.048 -0.064 0.000 1.120 30 H CB -1.880 27.851 29.762 -0.052 0.000 1.561 30 H HN 0.899 nan 8.280 nan 0.000 0.409 31 S N -1.009 114.682 115.700 -0.015 0.000 2.436 31 S HA -0.004 4.465 4.470 -0.001 0.000 0.228 31 S C 1.204 175.772 174.600 -0.053 0.000 1.014 31 S CA 0.159 58.335 58.200 -0.039 0.000 0.950 31 S CB 0.583 63.742 63.200 -0.068 0.000 0.784 31 S HN 0.486 nan 8.310 nan 0.000 0.504 32 M N 3.032 122.602 119.600 -0.050 0.000 2.200 32 M HA 0.331 4.811 4.480 -0.001 0.000 0.355 32 M C -2.780 173.491 176.300 -0.047 0.000 1.283 32 M CA -1.951 53.301 55.300 -0.079 0.000 1.124 32 M CB 0.562 33.129 32.600 -0.056 0.000 1.625 32 M HN -0.081 nan 8.290 nan 0.000 0.463 33 P HA 0.070 nan 4.420 nan 0.000 0.262 33 P C -2.323 174.963 177.300 -0.023 0.000 1.182 33 P CA -0.597 62.473 63.100 -0.051 0.000 0.761 33 P CB 0.023 31.680 31.700 -0.072 0.000 0.795 34 P HA -0.199 nan 4.420 nan 0.000 0.221 34 P C 0.971 178.271 177.300 -0.000 0.000 1.145 34 P CA 1.407 64.498 63.100 -0.016 0.000 0.795 34 P CB 0.027 31.708 31.700 -0.032 0.000 0.775 35 Q N -0.448 119.348 119.800 -0.007 0.000 2.172 35 Q HA -0.036 4.303 4.340 -0.001 0.000 0.200 35 Q C 1.766 177.772 176.000 0.010 0.000 0.964 35 Q CA 1.090 56.891 55.803 -0.003 0.000 0.855 35 Q CB -0.619 28.110 28.738 -0.016 0.000 0.918 35 Q HN 0.257 nan 8.270 nan 0.000 0.444 36 K N 0.478 120.889 120.400 0.018 0.000 2.442 36 K HA 0.004 4.323 4.320 -0.001 0.000 0.198 36 K C 1.679 178.357 176.600 0.131 0.000 1.042 36 K CA 0.591 56.910 56.287 0.053 0.000 0.958 36 K CB -0.059 32.468 32.500 0.046 0.000 0.766 36 K HN 0.264 nan 8.250 nan 0.000 0.474 37 I N 1.069 121.719 120.570 0.134 0.000 2.454 37 I HA -0.248 3.922 4.170 -0.001 0.000 0.254 37 I C 2.242 178.454 176.117 0.158 0.000 1.156 37 I CA 0.987 62.403 61.300 0.194 0.000 1.433 37 I CB -0.102 37.958 38.000 0.099 0.000 1.082 37 I HN 0.164 nan 8.210 nan 0.000 0.432 38 E N 1.507 121.751 120.200 0.074 0.000 2.118 38 E HA -0.210 4.140 4.350 -0.001 0.000 0.195 38 E C 2.043 178.644 176.600 0.000 0.000 0.992 38 E CA 1.364 57.789 56.400 0.041 0.000 0.804 38 E CB -0.236 29.472 29.700 0.014 0.000 0.741 38 E HN 0.453 nan 8.360 nan 0.000 0.458 39 I N -0.310 120.202 120.570 -0.097 0.000 2.264 39 I HA -0.288 3.882 4.170 -0.001 0.000 0.248 39 I C 1.666 177.573 176.117 -0.349 0.000 1.111 39 I CA 1.092 62.219 61.300 -0.288 0.000 1.382 39 I CB -0.302 37.405 38.000 -0.488 0.000 1.060 39 I HN 0.110 nan 8.210 nan 0.000 0.418 40 F N 0.798 120.768 119.950 0.033 0.000 2.187 40 F HA -0.075 4.452 4.527 -0.001 0.000 0.295 40 F C 2.427 178.401 175.800 0.289 0.000 1.091 40 F CA 0.905 58.952 58.000 0.079 0.000 1.308 40 F CB -0.520 38.343 39.000 -0.229 0.000 1.030 40 F HN -0.158 nan 8.300 nan 0.000 0.487 41 K N -0.111 120.479 120.400 0.316 0.000 2.147 41 K HA -0.050 4.269 4.320 -0.001 0.000 0.205 41 K C 2.203 178.941 176.600 0.230 0.000 1.049 41 K CA 1.011 57.466 56.287 0.280 0.000 0.936 41 K CB -0.775 31.831 32.500 0.176 0.000 0.722 41 K HN 0.136 nan 8.250 nan 0.000 0.446 42 S N 0.968 116.762 115.700 0.157 0.000 2.414 42 S HA 0.103 4.572 4.470 -0.001 0.000 0.227 42 S C 1.716 176.404 174.600 0.146 0.000 1.022 42 S CA 0.282 58.547 58.200 0.108 0.000 0.958 42 S CB 0.064 63.286 63.200 0.037 0.000 0.797 42 S HN 0.184 nan 8.310 nan 0.000 0.493 43 L N 1.596 122.946 121.223 0.211 0.000 2.610 43 L HA -0.029 4.311 4.340 -0.001 0.000 0.232 43 L C 2.094 179.192 176.870 0.380 0.000 1.149 43 L CA 0.321 55.338 54.840 0.296 0.000 0.872 43 L CB -0.349 41.895 42.059 0.310 0.000 0.992 43 L HN 0.369 nan 8.230 nan 0.000 0.447 44 D N 1.099 121.682 120.400 0.306 0.000 2.156 44 D HA -0.270 4.370 4.640 -0.001 0.000 0.190 44 D C 1.429 177.703 176.300 -0.043 0.000 0.998 44 D CA 1.786 55.831 54.000 0.075 0.000 0.842 44 D CB 0.095 40.969 40.800 0.122 0.000 0.974 44 D HN 0.352 nan 8.370 nan 0.000 0.447 45 N N -0.121 118.599 118.700 0.033 0.000 2.289 45 N HA -0.166 4.573 4.740 -0.001 0.000 0.184 45 N C 1.772 177.279 175.510 -0.005 0.000 1.016 45 N CA 0.750 53.797 53.050 -0.005 0.000 0.872 45 N CB -0.620 37.880 38.487 0.020 0.000 0.973 45 N HN 0.513 nan 8.380 nan 0.000 0.433 46 W N 2.232 123.477 121.300 -0.091 0.000 2.358 46 W HA -0.046 4.614 4.660 -0.000 0.000 0.303 46 W C 2.300 178.726 176.519 -0.154 0.000 1.208 46 W CA 1.873 59.166 57.345 -0.087 0.000 1.274 46 W CB -0.242 29.191 29.460 -0.046 0.000 1.138 46 W HN 0.040 nan 8.180 nan 0.000 0.515 47 A N 0.169 122.862 122.820 -0.211 0.000 1.930 47 A HA -0.229 4.090 4.320 -0.001 0.000 0.217 47 A C 1.946 179.190 177.584 -0.566 0.000 1.175 47 A CA 1.734 53.393 52.037 -0.630 0.000 0.627 47 A CB -1.040 17.451 19.000 -0.849 0.000 0.815 47 A HN 0.516 nan 8.150 nan 0.000 0.443 48 E N -0.875 119.098 120.200 -0.377 0.000 2.515 48 E HA -0.116 4.234 4.350 -0.001 0.000 0.201 48 E C 1.436 177.876 176.600 -0.266 0.000 1.071 48 E CA 0.765 57.004 56.400 -0.268 0.000 0.880 48 E CB 0.019 29.616 29.700 -0.172 0.000 0.828 48 E HN 0.760 nan 8.360 nan 0.000 0.540 49 E N -1.013 118.968 120.200 -0.365 0.000 2.453 49 E HA 0.144 4.494 4.350 -0.001 0.000 0.211 49 E C 0.989 177.317 176.600 -0.453 0.000 0.897 49 E CA -0.052 56.145 56.400 -0.339 0.000 1.063 49 E CB 0.590 30.128 29.700 -0.270 0.000 1.080 49 E HN 0.106 nan 8.360 nan 0.000 0.512 50 N N -0.261 118.016 118.700 -0.705 0.000 2.143 50 N HA 0.109 4.848 4.740 -0.001 0.000 0.222 50 N C 0.512 175.685 175.510 -0.562 0.000 1.264 50 N CA 0.170 52.801 53.050 -0.699 0.000 0.897 50 N CB 1.264 39.160 38.487 -0.984 0.000 1.092 50 N HN 0.069 nan 8.380 nan 0.000 0.516 51 I N 0.440 120.675 120.570 -0.558 0.000 3.650 51 I HA 0.102 4.272 4.170 -0.001 0.000 0.261 51 I C 1.909 177.914 176.117 -0.187 0.000 1.154 51 I CA 0.336 61.401 61.300 -0.392 0.000 1.418 51 I CB -0.929 36.673 38.000 -0.664 0.000 1.539 51 I HN -0.043 nan 8.210 nan 0.000 0.449 52 L N 2.031 123.143 121.223 -0.184 0.000 2.551 52 L HA -0.098 4.242 4.340 -0.001 0.000 0.230 52 L C 2.226 179.086 176.870 -0.016 0.000 1.163 52 L CA 0.780 55.627 54.840 0.012 0.000 0.826 52 L CB -0.669 41.369 42.059 -0.036 0.000 0.943 52 L HN 0.211 nan 8.230 nan 0.000 0.452 53 V N -5.296 114.519 119.914 -0.165 0.000 3.306 53 V HA -0.084 4.036 4.120 -0.001 0.000 0.264 53 V C 1.926 177.896 176.094 -0.208 0.000 1.149 53 V CA 0.797 62.964 62.300 -0.221 0.000 1.143 53 V CB -0.802 30.814 31.823 -0.344 0.000 0.767 53 V HN 0.417 nan 8.190 nan 0.000 0.476 54 H N 0.504 119.607 119.070 0.055 0.000 2.539 54 H HA 0.415 4.971 4.556 -0.001 0.000 0.267 54 H C 0.595 176.044 175.328 0.201 0.000 0.982 54 H CA 0.030 56.151 56.048 0.121 0.000 1.146 54 H CB 0.356 30.199 29.762 0.135 0.000 1.382 54 H HN 0.400 nan 8.280 nan 0.000 0.577 55 L N 1.816 123.200 121.223 0.269 0.000 2.290 55 L HA 0.173 4.513 4.340 -0.001 0.000 0.284 55 L C 0.512 177.435 176.870 0.089 0.000 1.078 55 L CA -0.584 54.364 54.840 0.181 0.000 0.815 55 L CB 1.095 43.238 42.059 0.140 0.000 1.162 55 L HN -0.206 nan 8.230 nan 0.000 0.435 56 K N 6.043 126.481 120.400 0.064 0.000 2.297 56 K HA 0.270 4.589 4.320 -0.001 0.000 0.286 56 K C -2.218 174.383 176.600 0.002 0.000 1.053 56 K CA -1.485 54.822 56.287 0.033 0.000 0.940 56 K CB 0.695 33.215 32.500 0.033 0.000 1.019 56 K HN 0.180 nan 8.250 nan 0.000 0.475 57 P HA -0.058 nan 4.420 nan 0.000 0.268 57 P C 0.696 177.978 177.300 -0.030 0.000 1.205 57 P CA -0.206 62.885 63.100 -0.015 0.000 0.771 57 P CB 0.958 32.653 31.700 -0.009 0.000 0.858 58 V N 2.783 122.670 119.914 -0.044 0.000 2.252 58 V HA -0.285 3.835 4.120 -0.001 0.000 0.255 58 V C 2.473 178.539 176.094 -0.047 0.000 1.071 58 V CA 2.086 64.349 62.300 -0.061 0.000 1.050 58 V CB -1.052 30.737 31.823 -0.056 0.000 0.654 58 V HN 0.603 nan 8.190 nan 0.000 0.448 59 E N -0.165 120.018 120.200 -0.028 0.000 2.265 59 E HA -0.176 4.174 4.350 -0.001 0.000 0.196 59 E C 1.888 178.486 176.600 -0.004 0.000 0.996 59 E CA 0.961 57.352 56.400 -0.016 0.000 0.832 59 E CB -0.172 29.521 29.700 -0.012 0.000 0.756 59 E HN 0.619 nan 8.360 nan 0.000 0.491 60 K N -0.286 120.113 120.400 -0.001 0.000 2.397 60 K HA 0.154 4.474 4.320 -0.001 0.000 0.202 60 K C 0.024 176.645 176.600 0.034 0.000 1.022 60 K CA -0.242 56.056 56.287 0.020 0.000 1.141 60 K CB 0.516 33.028 32.500 0.020 0.000 0.857 60 K HN -0.044 nan 8.250 nan 0.000 0.514 61 C N 2.229 121.528 119.300 -0.001 0.000 2.370 61 C HA 0.391 4.850 4.460 -0.001 0.000 0.354 61 C C 0.359 175.364 174.990 0.023 0.000 1.218 61 C CA -1.332 57.660 59.018 -0.043 0.000 2.154 61 C CB 0.147 27.779 27.740 -0.181 0.000 2.391 61 C HN 0.550 nan 8.230 nan 0.000 0.540 62 W N 2.221 123.573 121.300 0.088 0.000 2.184 62 W HA 0.529 5.189 4.660 -0.000 0.000 0.338 62 W C -0.614 175.985 176.519 0.133 0.000 1.257 62 W CA -0.279 57.147 57.345 0.134 0.000 1.243 62 W CB 0.226 29.863 29.460 0.295 0.000 1.122 62 W HN 0.433 nan 8.180 nan 0.000 0.585 63 Q N 1.469 121.515 119.800 0.411 0.000 2.387 63 Q HA 0.262 4.602 4.340 -0.001 0.000 0.273 63 Q C -1.701 174.626 176.000 0.544 0.000 1.089 63 Q CA -2.255 53.687 55.803 0.232 0.000 0.824 63 Q CB 1.829 30.620 28.738 0.089 0.000 1.367 63 Q HN 0.096 nan 8.270 nan 0.000 0.443 64 P HA -0.245 nan 4.420 nan 0.000 0.218 64 P C 1.113 178.632 177.300 0.365 0.000 1.154 64 P CA 1.582 64.980 63.100 0.496 0.000 0.872 64 P CB 0.476 32.357 31.700 0.301 0.000 0.790 65 Q N -0.260 119.674 119.800 0.224 0.000 2.297 65 Q HA -0.178 4.162 4.340 -0.001 0.000 0.208 65 Q C 1.313 177.359 176.000 0.078 0.000 0.981 65 Q CA 1.527 57.413 55.803 0.138 0.000 0.876 65 Q CB -1.140 27.645 28.738 0.079 0.000 0.921 65 Q HN 0.224 nan 8.270 nan 0.000 0.446 66 D N -1.181 119.244 120.400 0.042 0.000 2.264 66 D HA -0.103 4.537 4.640 -0.001 0.000 0.208 66 D C 0.123 176.077 176.300 -0.577 0.000 0.966 66 D CA 0.825 54.650 54.000 -0.293 0.000 0.864 66 D CB 0.075 40.607 40.800 -0.447 0.000 0.933 66 D HN 0.361 nan 8.370 nan 0.000 0.499 67 F N -0.288 119.704 119.950 0.070 0.000 2.724 67 F HA 0.318 4.844 4.527 -0.001 0.000 0.310 67 F C 0.490 176.333 175.800 0.073 0.000 1.107 67 F CA -0.270 57.744 58.000 0.025 0.000 1.218 67 F CB 0.524 39.488 39.000 -0.061 0.000 1.042 67 F HN -0.281 nan 8.300 nan 0.000 0.540 68 L N 0.123 121.476 121.223 0.218 0.000 2.323 68 L HA 0.578 4.918 4.340 -0.001 0.000 0.265 68 L C -2.347 174.636 176.870 0.189 0.000 1.012 68 L CA -2.295 52.678 54.840 0.222 0.000 0.820 68 L CB 1.584 43.783 42.059 0.234 0.000 1.334 68 L HN -0.282 nan 8.230 nan 0.000 0.427 69 P HA -0.038 nan 4.420 nan 0.000 0.266 69 P C -1.158 176.334 177.300 0.321 0.000 1.195 69 P CA -0.003 63.248 63.100 0.251 0.000 0.768 69 P CB 0.361 32.198 31.700 0.228 0.000 0.838 70 D N 4.242 124.805 120.400 0.270 0.000 2.365 70 D HA 0.077 4.717 4.640 -0.001 0.000 0.237 70 D C -1.405 174.943 176.300 0.081 0.000 1.190 70 D CA -2.320 51.769 54.000 0.148 0.000 0.867 70 D CB 0.606 41.457 40.800 0.086 0.000 1.050 70 D HN 0.190 nan 8.370 nan 0.000 0.491 71 P HA -0.033 nan 4.420 nan 0.000 0.230 71 P C 0.408 177.459 177.300 -0.415 0.000 1.158 71 P CA 0.372 62.984 63.100 -0.813 0.000 0.769 71 P CB 0.341 31.641 31.700 -0.667 0.000 0.807 72 A N -0.964 121.749 122.820 -0.178 0.000 2.545 72 A HA 0.351 4.670 4.320 -0.001 0.000 0.277 72 A C 0.844 178.405 177.584 -0.039 0.000 1.301 72 A CA -0.105 51.871 52.037 -0.101 0.000 0.935 72 A CB -0.279 18.678 19.000 -0.071 0.000 1.093 72 A HN 0.204 nan 8.150 nan 0.000 0.519 73 S N -1.127 114.572 115.700 -0.003 0.000 2.607 73 S HA 0.411 4.881 4.470 -0.001 0.000 0.303 73 S C 0.043 174.692 174.600 0.081 0.000 1.086 73 S CA -0.492 57.736 58.200 0.045 0.000 0.995 73 S CB 1.146 64.389 63.200 0.071 0.000 1.084 73 S HN 0.236 nan 8.310 nan 0.000 0.507 74 D N 2.578 123.017 120.400 0.065 0.000 2.269 74 D HA 0.088 4.728 4.640 -0.001 0.000 0.208 74 D C 1.584 177.939 176.300 0.093 0.000 0.963 74 D CA 0.962 55.005 54.000 0.071 0.000 0.864 74 D CB -0.317 40.510 40.800 0.045 0.000 0.936 74 D HN 0.686 nan 8.370 nan 0.000 0.505 75 G N -0.460 108.398 108.800 0.097 0.000 3.181 75 G HA2 -0.101 3.859 3.960 -0.001 0.000 0.219 75 G HA3 -0.101 3.859 3.960 -0.001 0.000 0.219 75 G C 1.025 176.002 174.900 0.128 0.000 1.182 75 G CA -0.409 44.744 45.100 0.088 0.000 0.791 75 G HN 0.098 nan 8.290 nan 0.000 0.537 76 F N 2.151 122.111 119.950 0.017 0.000 2.065 76 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 76 F C 1.966 177.780 175.800 0.024 0.000 1.112 76 F CA 1.877 59.891 58.000 0.024 0.000 1.212 76 F CB -0.072 38.943 39.000 0.024 0.000 0.975 76 F HN 0.138 nan 8.300 nan 0.000 0.476 77 D N 0.271 120.619 120.400 -0.088 0.000 2.092 77 D HA -0.237 4.403 4.640 -0.001 0.000 0.193 77 D C 2.201 178.402 176.300 -0.165 0.000 0.994 77 D CA 1.975 55.859 54.000 -0.193 0.000 0.828 77 D CB -0.695 40.083 40.800 -0.037 0.000 0.963 77 D HN 0.694 nan 8.370 nan 0.000 0.450 78 E N 0.593 120.748 120.200 -0.075 0.000 2.204 78 E HA -0.189 4.160 4.350 -0.001 0.000 0.194 78 E C 1.905 178.465 176.600 -0.067 0.000 0.989 78 E CA 0.792 57.158 56.400 -0.056 0.000 0.824 78 E CB -0.322 29.366 29.700 -0.020 0.000 0.756 78 E HN 0.318 nan 8.360 nan 0.000 0.477 79 Q N 0.795 120.550 119.800 -0.075 0.000 2.079 79 Q HA -0.088 4.252 4.340 -0.001 0.000 0.200 79 Q C 2.413 178.353 176.000 -0.100 0.000 0.974 79 Q CA 1.613 57.385 55.803 -0.052 0.000 0.840 79 Q CB 0.066 28.805 28.738 0.003 0.000 0.898 79 Q HN 0.188 nan 8.270 nan 0.000 0.430 80 V N 0.855 120.623 119.914 -0.242 0.000 2.358 80 V HA -0.266 3.853 4.120 -0.001 0.000 0.246 80 V C 2.322 178.322 176.094 -0.156 0.000 1.047 80 V CA 1.944 64.090 62.300 -0.257 0.000 1.035 80 V CB -0.559 30.969 31.823 -0.491 0.000 0.658 80 V HN 0.318 nan 8.190 nan 0.000 0.452 81 R N 0.096 120.509 120.500 -0.145 0.000 2.083 81 R HA -0.210 4.130 4.340 -0.001 0.000 0.237 81 R C 2.310 178.577 176.300 -0.055 0.000 1.137 81 R CA 2.092 58.137 56.100 -0.092 0.000 0.951 81 R CB -0.255 29.999 30.300 -0.077 0.000 0.851 81 R HN 0.585 nan 8.270 nan 0.000 0.434 82 E N 0.558 120.734 120.200 -0.040 0.000 2.051 82 E HA -0.226 4.124 4.350 -0.001 0.000 0.192 82 E C 2.123 178.730 176.600 0.012 0.000 0.991 82 E CA 1.343 57.736 56.400 -0.011 0.000 0.799 82 E CB -0.197 29.502 29.700 -0.001 0.000 0.748 82 E HN 0.381 nan 8.360 nan 0.000 0.449 83 L N 1.088 122.322 121.223 0.018 0.000 2.043 83 L HA -0.243 4.097 4.340 -0.001 0.000 0.212 83 L C 2.417 179.316 176.870 0.047 0.000 1.075 83 L CA 1.484 56.366 54.840 0.070 0.000 0.752 83 L CB -0.041 42.063 42.059 0.076 0.000 0.891 83 L HN 0.032 nan 8.230 nan 0.000 0.432 84 R N -0.515 119.976 120.500 -0.016 0.000 2.115 84 R HA -0.122 4.218 4.340 -0.001 0.000 0.226 84 R C 2.097 178.391 176.300 -0.010 0.000 1.100 84 R CA 1.428 57.506 56.100 -0.037 0.000 0.980 84 R CB -0.249 30.004 30.300 -0.078 0.000 0.875 84 R HN 0.516 nan 8.270 nan 0.000 0.445 85 E N 0.612 120.810 120.200 -0.004 0.000 2.047 85 E HA -0.129 4.221 4.350 -0.001 0.000 0.191 85 E C 2.087 178.702 176.600 0.025 0.000 0.987 85 E CA 0.896 57.298 56.400 0.003 0.000 0.799 85 E CB 0.070 29.768 29.700 -0.003 0.000 0.752 85 E HN 0.251 nan 8.360 nan 0.000 0.449 86 R N 0.485 121.011 120.500 0.042 0.000 2.091 86 R HA -0.108 4.232 4.340 -0.001 0.000 0.238 86 R C 2.337 178.692 176.300 0.092 0.000 1.136 86 R CA 1.118 57.253 56.100 0.058 0.000 0.959 86 R CB -0.340 30.002 30.300 0.070 0.000 0.856 86 R HN 0.095 nan 8.270 nan 0.000 0.437 87 A N 1.375 124.277 122.820 0.137 0.000 2.076 87 A HA -0.180 4.140 4.320 -0.001 0.000 0.220 87 A C 1.776 179.471 177.584 0.185 0.000 1.160 87 A CA 1.321 53.502 52.037 0.240 0.000 0.653 87 A CB -0.222 18.900 19.000 0.203 0.000 0.801 87 A HN 0.227 nan 8.150 nan 0.000 0.455 88 K N -0.491 119.957 120.400 0.079 0.000 2.296 88 K HA -0.043 4.276 4.320 -0.001 0.000 0.200 88 K C 1.586 178.213 176.600 0.045 0.000 1.048 88 K CA 1.071 57.386 56.287 0.046 0.000 0.966 88 K CB -0.018 32.488 32.500 0.011 0.000 0.754 88 K HN 0.597 nan 8.250 nan 0.000 0.466 89 E N 0.518 120.741 120.200 0.037 0.000 2.285 89 E HA -0.019 4.331 4.350 -0.001 0.000 0.194 89 E C 0.090 176.651 176.600 -0.065 0.000 0.997 89 E CA 0.380 56.781 56.400 0.001 0.000 0.845 89 E CB 0.180 29.884 29.700 0.007 0.000 0.782 89 E HN 0.257 nan 8.360 nan 0.000 0.491 90 I N 3.644 124.192 120.570 -0.037 0.000 2.325 90 I HA 0.160 4.330 4.170 -0.001 0.000 0.291 90 I C -2.080 174.036 176.117 -0.000 0.000 1.019 90 I CA -2.369 58.806 61.300 -0.209 0.000 1.302 90 I CB 0.792 38.641 38.000 -0.253 0.000 1.401 90 I HN -0.200 nan 8.210 nan 0.000 0.485 91 P HA 0.055 nan 4.420 nan 0.000 0.272 91 P C -0.235 177.202 177.300 0.228 0.000 1.223 91 P CA -0.168 62.954 63.100 0.036 0.000 0.784 91 P CB 1.144 32.813 31.700 -0.052 0.000 0.923 92 D N 0.913 121.450 120.400 0.229 0.000 2.190 92 D HA -0.176 4.463 4.640 -0.001 0.000 0.200 92 D C 1.350 177.776 176.300 0.210 0.000 0.992 92 D CA 1.332 55.492 54.000 0.266 0.000 0.854 92 D CB -0.332 40.568 40.800 0.166 0.000 0.936 92 D HN 0.455 nan 8.370 nan 0.000 0.462 93 D N -0.176 120.306 120.400 0.137 0.000 2.106 93 D HA -0.218 4.422 4.640 -0.001 0.000 0.191 93 D C 2.013 178.371 176.300 0.097 0.000 0.997 93 D CA 0.943 54.994 54.000 0.086 0.000 0.834 93 D CB -0.455 40.396 40.800 0.086 0.000 0.956 93 D HN 0.314 nan 8.370 nan 0.000 0.448 94 Y N 0.688 120.982 120.300 -0.010 0.000 2.145 94 Y HA -0.252 4.298 4.550 0.000 0.000 0.286 94 Y C 2.242 178.079 175.900 -0.105 0.000 1.145 94 Y CA 1.380 59.433 58.100 -0.078 0.000 1.148 94 Y CB -0.532 37.819 38.460 -0.181 0.000 0.981 94 Y HN -0.171 nan 8.280 nan 0.000 0.507 95 F N -0.926 119.166 119.950 0.237 0.000 2.171 95 F HA -0.230 4.296 4.527 -0.001 0.000 0.300 95 F C 2.394 178.234 175.800 0.066 0.000 1.090 95 F CA 1.544 59.643 58.000 0.165 0.000 1.293 95 F CB -0.948 38.147 39.000 0.157 0.000 1.013 95 F HN -0.114 nan 8.300 nan 0.000 0.486 96 V N -0.875 119.157 119.914 0.197 0.000 2.407 96 V HA -0.262 3.857 4.120 -0.001 0.000 0.248 96 V C 2.216 178.440 176.094 0.217 0.000 1.055 96 V CA 1.532 63.922 62.300 0.150 0.000 1.049 96 V CB -0.669 31.026 31.823 -0.213 0.000 0.662 96 V HN 0.160 nan 8.190 nan 0.000 0.455 97 V N -0.694 119.285 119.914 0.108 0.000 2.323 97 V HA -0.169 3.950 4.120 -0.001 0.000 0.244 97 V C 2.312 178.430 176.094 0.041 0.000 1.041 97 V CA 1.610 64.018 62.300 0.179 0.000 1.025 97 V CB -0.513 31.281 31.823 -0.048 0.000 0.656 97 V HN 0.463 nan 8.190 nan 0.000 0.451 98 L N 0.072 121.196 121.223 -0.165 0.000 2.079 98 L HA -0.132 4.208 4.340 -0.001 0.000 0.210 98 L C 2.332 179.168 176.870 -0.056 0.000 1.081 98 L CA 1.816 56.570 54.840 -0.143 0.000 0.752 98 L CB -0.463 41.495 42.059 -0.167 0.000 0.896 98 L HN 0.135 nan 8.230 nan 0.000 0.433 99 V N -0.492 119.374 119.914 -0.080 0.000 2.358 99 V HA -0.175 3.945 4.120 -0.001 0.000 0.246 99 V C 2.563 178.308 176.094 -0.581 0.000 1.047 99 V CA 1.686 63.804 62.300 -0.303 0.000 1.035 99 V CB -1.447 30.142 31.823 -0.390 0.000 0.658 99 V HN 0.605 nan 8.190 nan 0.000 0.452 100 G N -0.329 108.111 108.800 -0.600 0.000 2.418 100 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.217 100 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.217 100 G C 1.233 175.867 174.900 -0.444 0.000 1.158 100 G CA 1.001 45.527 45.100 -0.957 0.000 0.771 100 G HN 0.495 nan 8.290 nan 0.000 0.545 101 D N 0.051 120.374 120.400 -0.129 0.000 2.117 101 D HA -0.101 4.539 4.640 -0.001 0.000 0.197 101 D C 2.337 178.659 176.300 0.036 0.000 0.987 101 D CA 0.578 54.585 54.000 0.011 0.000 0.829 101 D CB -0.290 40.522 40.800 0.020 0.000 0.961 101 D HN 0.208 nan 8.370 nan 0.000 0.460 102 M N 0.594 120.181 119.600 -0.020 0.000 2.086 102 M HA -0.133 4.346 4.480 -0.001 0.000 0.261 102 M C 2.083 178.370 176.300 -0.023 0.000 1.067 102 M CA 1.220 56.525 55.300 0.009 0.000 1.116 102 M CB -0.438 32.153 32.600 -0.016 0.000 1.348 102 M HN -0.038 nan 8.290 nan 0.000 0.407 103 I N 0.041 120.527 120.570 -0.141 0.000 2.208 103 I HA -0.317 3.852 4.170 -0.001 0.000 0.245 103 I C 2.152 178.278 176.117 0.015 0.000 1.097 103 I CA 1.739 62.970 61.300 -0.116 0.000 1.363 103 I CB -0.810 37.043 38.000 -0.245 0.000 1.051 103 I HN 0.334 nan 8.210 nan 0.000 0.413 104 T N 0.138 114.729 114.554 0.061 0.000 2.746 104 T HA -0.152 4.198 4.350 -0.001 0.000 0.267 104 T C 1.819 176.707 174.700 0.313 0.000 1.039 104 T CA 1.159 63.386 62.100 0.211 0.000 1.142 104 T CB -0.179 68.814 68.868 0.208 0.000 0.866 104 T HN 0.323 nan 8.240 nan 0.000 0.444 105 E N 1.221 121.567 120.200 0.244 0.000 2.051 105 E HA -0.128 4.222 4.350 -0.001 0.000 0.192 105 E C 2.323 179.024 176.600 0.167 0.000 0.991 105 E CA 0.876 57.437 56.400 0.267 0.000 0.799 105 E CB -0.234 29.608 29.700 0.237 0.000 0.748 105 E HN 0.502 nan 8.360 nan 0.000 0.449 106 E N 0.383 120.636 120.200 0.087 0.000 2.331 106 E HA -0.125 4.225 4.350 -0.001 0.000 0.199 106 E C 1.395 177.968 176.600 -0.046 0.000 1.008 106 E CA 0.639 57.049 56.400 0.017 0.000 0.843 106 E CB -0.119 29.582 29.700 0.001 0.000 0.761 106 E HN 0.137 nan 8.360 nan 0.000 0.507 107 A N 0.999 123.776 122.820 -0.071 0.000 2.310 107 A HA 0.040 4.359 4.320 -0.001 0.000 0.230 107 A C 1.837 179.016 177.584 -0.676 0.000 1.294 107 A CA -0.100 51.779 52.037 -0.264 0.000 0.898 107 A CB -0.509 18.387 19.000 -0.174 0.000 0.917 107 A HN 0.158 nan 8.150 nan 0.000 0.491 108 L N 0.796 121.769 121.223 -0.416 0.000 2.034 108 L HA -0.151 4.189 4.340 -0.001 0.000 0.217 108 L C -0.719 175.999 176.870 -0.254 0.000 1.077 108 L CA 2.807 57.456 54.840 -0.319 0.000 0.769 108 L CB -1.214 40.787 42.059 -0.097 0.000 0.890 108 L HN 0.213 nan 8.230 nan 0.000 0.435 109 P HA -0.178 nan 4.420 nan 0.000 0.216 109 P C 1.633 178.891 177.300 -0.070 0.000 1.154 109 P CA 2.276 65.327 63.100 -0.083 0.000 0.865 109 P CB -0.246 31.409 31.700 -0.074 0.000 0.789 110 T N -1.782 112.659 114.554 -0.188 0.000 2.759 110 T HA -0.180 4.170 4.350 -0.001 0.000 0.269 110 T C 1.355 176.123 174.700 0.114 0.000 1.042 110 T CA 1.349 63.394 62.100 -0.091 0.000 1.140 110 T CB -0.852 67.922 68.868 -0.157 0.000 0.864 110 T HN 0.082 nan 8.240 nan 0.000 0.455 111 Y N 1.267 121.676 120.300 0.182 0.000 2.314 111 Y HA 0.064 4.614 4.550 -0.001 0.000 0.293 111 Y C 2.586 178.643 175.900 0.263 0.000 1.129 111 Y CA -0.156 58.104 58.100 0.268 0.000 1.201 111 Y CB -0.997 37.721 38.460 0.431 0.000 0.999 111 Y HN 0.283 nan 8.280 nan 0.000 0.541 112 Q N -0.225 119.798 119.800 0.371 0.000 2.123 112 Q HA -0.131 4.209 4.340 -0.001 0.000 0.199 112 Q C 1.835 177.938 176.000 0.171 0.000 0.966 112 Q CA 1.797 57.774 55.803 0.289 0.000 0.845 112 Q CB -0.028 28.843 28.738 0.222 0.000 0.907 112 Q HN 0.370 nan 8.270 nan 0.000 0.439 113 T N 0.893 115.525 114.554 0.131 0.000 2.788 113 T HA -0.147 4.203 4.350 -0.001 0.000 0.268 113 T C 1.728 176.469 174.700 0.068 0.000 1.044 113 T CA 1.414 63.562 62.100 0.080 0.000 1.139 113 T CB -0.124 68.776 68.868 0.053 0.000 0.867 113 T HN 0.315 nan 8.240 nan 0.000 0.454 114 M N 0.285 119.947 119.600 0.102 0.000 2.108 114 M HA -0.050 4.430 4.480 -0.001 0.000 0.261 114 M C 2.104 178.401 176.300 -0.005 0.000 1.066 114 M CA 1.582 56.913 55.300 0.052 0.000 1.107 114 M CB -0.438 32.230 32.600 0.114 0.000 1.356 114 M HN 0.233 nan 8.290 nan 0.000 0.406 115 L N -0.436 120.805 121.223 0.031 0.000 2.056 115 L HA -0.190 4.150 4.340 -0.001 0.000 0.207 115 L C 1.723 178.593 176.870 0.001 0.000 1.078 115 L CA 0.782 55.626 54.840 0.006 0.000 0.749 115 L CB -0.710 41.394 42.059 0.075 0.000 0.901 115 L HN 0.306 nan 8.230 nan 0.000 0.433 116 N N -0.499 118.223 118.700 0.037 0.000 2.571 116 N HA -0.092 4.648 4.740 -0.001 0.000 0.189 116 N C 1.692 177.200 175.510 -0.004 0.000 1.154 116 N CA 1.295 54.364 53.050 0.032 0.000 0.907 116 N CB -0.090 38.432 38.487 0.058 0.000 0.977 116 N HN 0.442 nan 8.380 nan 0.000 0.449 117 T N -2.646 111.885 114.554 -0.037 0.000 3.057 117 T HA 0.164 4.514 4.350 -0.001 0.000 0.254 117 T C 0.884 175.529 174.700 -0.093 0.000 1.094 117 T CA -0.122 61.945 62.100 -0.055 0.000 1.088 117 T CB -0.023 68.798 68.868 -0.077 0.000 0.934 117 T HN -0.015 nan 8.240 nan 0.000 0.497 118 L N 2.973 124.104 121.223 -0.154 0.000 2.500 118 L HA 0.154 4.493 4.340 -0.001 0.000 0.272 118 L C 1.100 177.840 176.870 -0.217 0.000 1.149 118 L CA -0.475 54.212 54.840 -0.255 0.000 0.897 118 L CB 0.310 42.109 42.059 -0.434 0.000 1.178 118 L HN 0.097 nan 8.230 nan 0.000 0.473 119 D N 3.792 124.096 120.400 -0.161 0.000 2.154 119 D HA -0.192 4.447 4.640 -0.001 0.000 0.190 119 D C 1.780 177.995 176.300 -0.142 0.000 1.003 119 D CA 2.078 56.020 54.000 -0.097 0.000 0.849 119 D CB 0.157 40.941 40.800 -0.026 0.000 0.942 119 D HN 0.834 nan 8.370 nan 0.000 0.446 120 G N 0.013 108.644 108.800 -0.281 0.000 2.623 120 G HA2 0.001 3.961 3.960 -0.001 0.000 0.214 120 G HA3 0.001 3.961 3.960 -0.001 0.000 0.214 120 G C 1.435 176.125 174.900 -0.351 0.000 1.138 120 G CA 0.756 45.712 45.100 -0.240 0.000 0.794 120 G HN 0.357 nan 8.290 nan 0.000 0.535 121 V N -1.148 118.472 119.914 -0.491 0.000 3.380 121 V HA 0.409 4.529 4.120 -0.001 0.000 0.307 121 V C 0.764 176.842 176.094 -0.026 0.000 1.434 121 V CA -0.488 61.590 62.300 -0.370 0.000 1.075 121 V CB -0.731 30.751 31.823 -0.570 0.000 0.954 121 V HN 0.370 nan 8.190 nan 0.000 0.444 122 R N 0.288 120.765 120.500 -0.039 0.000 2.582 122 R HA 0.360 4.700 4.340 -0.001 0.000 0.271 122 R C -0.373 175.981 176.300 0.089 0.000 1.078 122 R CA -0.244 55.875 56.100 0.032 0.000 1.127 122 R CB 0.499 30.800 30.300 0.003 0.000 1.038 122 R HN 0.231 nan 8.270 nan 0.000 0.500 123 D N 1.501 121.963 120.400 0.103 0.000 2.365 123 D HA 0.028 4.668 4.640 -0.001 0.000 0.237 123 D C 0.072 176.418 176.300 0.077 0.000 1.190 123 D CA -0.193 53.872 54.000 0.109 0.000 0.867 123 D CB 1.377 42.246 40.800 0.115 0.000 1.050 123 D HN 0.684 nan 8.370 nan 0.000 0.491 124 E N 1.387 121.631 120.200 0.072 0.000 2.347 124 E HA -0.069 4.280 4.350 -0.001 0.000 0.196 124 E C 1.523 178.152 176.600 0.048 0.000 1.008 124 E CA 1.084 57.516 56.400 0.054 0.000 0.852 124 E CB 0.401 30.132 29.700 0.051 0.000 0.783 124 E HN 0.608 nan 8.360 nan 0.000 0.505 125 T N -6.321 108.265 114.554 0.053 0.000 2.964 125 T HA 0.356 4.706 4.350 -0.001 0.000 0.250 125 T C 1.504 176.230 174.700 0.043 0.000 0.982 125 T CA 0.307 62.433 62.100 0.044 0.000 0.959 125 T CB 0.891 69.784 68.868 0.043 0.000 1.141 125 T HN 0.131 nan 8.240 nan 0.000 0.494 126 G N 1.008 109.840 108.800 0.052 0.000 2.184 126 G HA2 0.172 4.132 3.960 -0.001 0.000 0.206 126 G HA3 0.172 4.132 3.960 -0.001 0.000 0.206 126 G C 0.474 175.404 174.900 0.050 0.000 0.995 126 G CA -0.115 45.015 45.100 0.050 0.000 0.651 126 G HN 1.541 nan 8.290 nan 0.000 0.511 127 A N -0.476 122.376 122.820 0.054 0.000 2.536 127 A HA 0.699 5.019 4.320 -0.001 0.000 0.220 127 A C 0.462 178.081 177.584 0.059 0.000 0.949 127 A CA 1.421 53.488 52.037 0.051 0.000 1.224 127 A CB -0.275 18.747 19.000 0.037 0.000 1.202 127 A HN 1.692 nan 8.150 nan 0.000 0.448 128 S N 1.318 117.062 115.700 0.073 0.000 2.525 128 S HA 0.300 4.769 4.470 -0.001 0.000 0.285 128 S C -1.608 173.044 174.600 0.087 0.000 1.283 128 S CA -0.495 57.754 58.200 0.082 0.000 1.072 128 S CB 0.466 63.727 63.200 0.101 0.000 0.867 128 S HN 0.236 nan 8.310 nan 0.000 0.492 129 P HA 0.039 nan 4.420 nan 0.000 0.259 129 P C 0.169 177.514 177.300 0.074 0.000 1.307 129 P CA 0.312 63.450 63.100 0.064 0.000 0.768 129 P CB -0.441 31.288 31.700 0.049 0.000 1.199 130 T N -4.527 110.092 114.554 0.108 0.000 2.910 130 T HA 0.187 4.537 4.350 -0.001 0.000 0.293 130 T C 1.409 176.166 174.700 0.095 0.000 1.015 130 T CA -0.364 61.813 62.100 0.128 0.000 1.094 130 T CB 0.916 69.922 68.868 0.230 0.000 0.968 130 T HN -0.170 nan 8.240 nan 0.000 0.521 131 S N 1.522 117.208 115.700 -0.024 0.000 2.387 131 S HA -0.119 4.351 4.470 -0.001 0.000 0.230 131 S C 1.415 175.974 174.600 -0.067 0.000 1.035 131 S CA 1.542 59.656 58.200 -0.142 0.000 1.014 131 S CB -0.597 62.377 63.200 -0.378 0.000 0.836 131 S HN 0.910 nan 8.310 nan 0.000 0.466 132 W N 1.578 122.984 121.300 0.177 0.000 2.381 132 W HA 0.050 4.710 4.660 -0.001 0.000 0.301 132 W C 2.750 179.423 176.519 0.255 0.000 1.205 132 W CA 0.482 57.961 57.345 0.223 0.000 1.285 132 W CB -0.538 29.046 29.460 0.207 0.000 1.133 132 W HN 0.264 nan 8.180 nan 0.000 0.521 133 A N 0.369 123.422 122.820 0.389 0.000 1.897 133 A HA -0.124 4.196 4.320 -0.001 0.000 0.215 133 A C 1.860 179.583 177.584 0.231 0.000 1.181 133 A CA 1.337 53.541 52.037 0.277 0.000 0.620 133 A CB -0.882 18.239 19.000 0.202 0.000 0.821 133 A HN 0.281 nan 8.150 nan 0.000 0.443 134 I N -1.257 119.433 120.570 0.199 0.000 2.286 134 I HA -0.278 3.891 4.170 -0.001 0.000 0.248 134 I C 2.529 178.767 176.117 0.201 0.000 1.115 134 I CA 1.416 62.807 61.300 0.153 0.000 1.392 134 I CB -0.275 37.787 38.000 0.104 0.000 1.065 134 I HN 0.769 nan 8.210 nan 0.000 0.418 135 W N 1.862 123.215 121.300 0.089 0.000 2.379 135 W HA -0.217 4.443 4.660 -0.000 0.000 0.307 135 W C 2.307 178.939 176.519 0.189 0.000 1.200 135 W CA 1.937 59.346 57.345 0.107 0.000 1.297 135 W CB -0.589 28.919 29.460 0.079 0.000 1.140 135 W HN 0.067 nan 8.180 nan 0.000 0.507 136 T N 1.536 116.261 114.554 0.285 0.000 2.635 136 T HA -0.270 4.080 4.350 -0.001 0.000 0.267 136 T C 1.900 176.684 174.700 0.140 0.000 1.040 136 T CA 2.417 64.638 62.100 0.201 0.000 1.156 136 T CB -0.449 68.579 68.868 0.267 0.000 0.863 136 T HN 0.171 nan 8.240 nan 0.000 0.430 137 R N 0.611 121.179 120.500 0.113 0.000 2.073 137 R HA 0.030 4.369 4.340 -0.001 0.000 0.234 137 R C 2.845 179.144 176.300 -0.002 0.000 1.134 137 R CA 1.318 57.457 56.100 0.065 0.000 0.952 137 R CB -0.510 29.825 30.300 0.058 0.000 0.850 137 R HN 0.381 nan 8.270 nan 0.000 0.433 138 A N 0.186 122.983 122.820 -0.038 0.000 1.902 138 A HA -0.209 4.110 4.320 -0.001 0.000 0.217 138 A C 1.908 179.369 177.584 -0.204 0.000 1.181 138 A CA 1.271 53.245 52.037 -0.105 0.000 0.623 138 A CB -0.845 18.109 19.000 -0.076 0.000 0.818 138 A HN 0.652 nan 8.150 nan 0.000 0.443 139 W N 1.088 122.040 121.300 -0.580 0.000 2.358 139 W HA -0.147 4.513 4.660 -0.000 0.000 0.303 139 W C 2.098 178.369 176.519 -0.412 0.000 1.208 139 W CA 2.388 59.290 57.345 -0.739 0.000 1.274 139 W CB -0.496 28.258 29.460 -1.177 0.000 1.138 139 W HN 0.246 nan 8.180 nan 0.000 0.515 140 T N 0.942 115.445 114.554 -0.085 0.000 2.746 140 T HA -0.229 4.121 4.350 -0.001 0.000 0.267 140 T C 1.977 176.485 174.700 -0.320 0.000 1.039 140 T CA 2.146 64.115 62.100 -0.219 0.000 1.142 140 T CB -0.986 67.930 68.868 0.081 0.000 0.866 140 T HN 0.287 nan 8.240 nan 0.000 0.444 141 A N 1.538 124.224 122.820 -0.224 0.000 1.940 141 A HA -0.179 4.141 4.320 -0.001 0.000 0.219 141 A C 2.207 179.614 177.584 -0.296 0.000 1.176 141 A CA 1.733 53.643 52.037 -0.211 0.000 0.631 141 A CB -0.513 18.396 19.000 -0.151 0.000 0.814 141 A HN 0.590 nan 8.150 nan 0.000 0.446 142 E N -0.616 119.362 120.200 -0.370 0.000 2.107 142 E HA -0.133 4.217 4.350 -0.001 0.000 0.191 142 E C 1.871 178.111 176.600 -0.601 0.000 0.982 142 E CA 0.888 57.046 56.400 -0.403 0.000 0.809 142 E CB -0.112 29.429 29.700 -0.263 0.000 0.756 142 E HN 0.538 nan 8.360 nan 0.000 0.459 143 E N 0.915 120.636 120.200 -0.798 0.000 2.204 143 E HA -0.162 4.188 4.350 -0.001 0.000 0.194 143 E C 1.707 177.982 176.600 -0.542 0.000 0.989 143 E CA 0.565 56.401 56.400 -0.941 0.000 0.824 143 E CB -0.249 28.847 29.700 -1.006 0.000 0.756 143 E HN 0.156 nan 8.360 nan 0.000 0.477 144 N N 1.540 120.018 118.700 -0.369 0.000 2.223 144 N HA -0.157 4.583 4.740 -0.001 0.000 0.185 144 N C 1.583 177.027 175.510 -0.109 0.000 1.016 144 N CA 1.070 54.005 53.050 -0.192 0.000 0.863 144 N CB 0.050 38.440 38.487 -0.162 0.000 0.983 144 N HN 0.122 nan 8.380 nan 0.000 0.429 145 R N -1.165 119.246 120.500 -0.148 0.000 2.189 145 R HA -0.030 4.310 4.340 -0.001 0.000 0.218 145 R C 1.674 178.138 176.300 0.273 0.000 1.074 145 R CA 1.032 57.113 56.100 -0.033 0.000 0.991 145 R CB -0.647 29.433 30.300 -0.368 0.000 0.883 145 R HN 0.603 nan 8.270 nan 0.000 0.457 146 H N 0.130 119.248 119.070 0.079 0.000 2.326 146 H HA -0.029 4.527 4.556 -0.000 0.000 0.301 146 H C 2.366 177.747 175.328 0.089 0.000 1.081 146 H CA 0.714 56.840 56.048 0.129 0.000 1.334 146 H CB 0.044 29.850 29.762 0.073 0.000 1.385 146 H HN 0.386 nan 8.280 nan 0.000 0.504 147 G N 0.608 109.525 108.800 0.196 0.000 2.394 147 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.215 147 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.215 147 G C 1.080 176.045 174.900 0.107 0.000 1.165 147 G CA 0.845 46.020 45.100 0.124 0.000 0.784 147 G HN 0.277 nan 8.290 nan 0.000 0.535 148 D N 0.125 120.587 120.400 0.103 0.000 2.104 148 D HA -0.113 4.527 4.640 -0.001 0.000 0.194 148 D C 2.348 178.735 176.300 0.145 0.000 0.994 148 D CA 0.621 54.680 54.000 0.099 0.000 0.830 148 D CB -0.359 40.491 40.800 0.083 0.000 0.959 148 D HN 0.206 nan 8.370 nan 0.000 0.452 149 L N 0.445 121.787 121.223 0.198 0.000 1.994 149 L HA -0.099 4.241 4.340 -0.001 0.000 0.208 149 L C 2.063 179.046 176.870 0.188 0.000 1.071 149 L CA 1.551 56.520 54.840 0.215 0.000 0.745 149 L CB -0.672 41.529 42.059 0.237 0.000 0.892 149 L HN 0.071 nan 8.230 nan 0.000 0.431 150 L N -0.230 121.083 121.223 0.149 0.000 2.141 150 L HA -0.188 4.151 4.340 -0.001 0.000 0.209 150 L C 2.478 179.470 176.870 0.202 0.000 1.094 150 L CA 1.210 56.151 54.840 0.168 0.000 0.763 150 L CB -0.811 41.315 42.059 0.112 0.000 0.908 150 L HN 0.503 nan 8.230 nan 0.000 0.437 151 N N 0.925 119.714 118.700 0.149 0.000 2.062 151 N HA -0.201 4.539 4.740 -0.001 0.000 0.191 151 N C 1.828 177.432 175.510 0.157 0.000 1.042 151 N CA 1.562 54.684 53.050 0.119 0.000 0.845 151 N CB 0.118 38.646 38.487 0.069 0.000 1.024 151 N HN 0.079 nan 8.380 nan 0.000 0.424 152 K N -0.132 120.365 120.400 0.161 0.000 2.103 152 K HA -0.146 4.173 4.320 -0.001 0.000 0.207 152 K C 1.983 178.723 176.600 0.232 0.000 1.048 152 K CA 0.972 57.372 56.287 0.187 0.000 0.930 152 K CB -0.598 32.005 32.500 0.172 0.000 0.716 152 K HN 0.323 nan 8.250 nan 0.000 0.444 153 Y N 0.673 121.072 120.300 0.164 0.000 2.133 153 Y HA -0.151 4.398 4.550 -0.001 0.000 0.287 153 Y C 1.525 177.530 175.900 0.174 0.000 1.134 153 Y CA 1.532 59.727 58.100 0.159 0.000 1.133 153 Y CB -0.219 38.317 38.460 0.127 0.000 0.987 153 Y HN -0.067 nan 8.280 nan 0.000 0.502 154 L N -0.843 120.395 121.223 0.025 0.000 2.083 154 L HA -0.244 4.096 4.340 -0.001 0.000 0.209 154 L C 2.345 179.175 176.870 -0.067 0.000 1.083 154 L CA 1.727 56.560 54.840 -0.011 0.000 0.752 154 L CB -0.848 41.294 42.059 0.138 0.000 0.899 154 L HN 0.366 nan 8.230 nan 0.000 0.433 155 Y N 0.818 121.070 120.300 -0.081 0.000 2.114 155 Y HA -0.245 4.305 4.550 -0.000 0.000 0.284 155 Y C 2.325 178.172 175.900 -0.089 0.000 1.143 155 Y CA 1.607 59.673 58.100 -0.058 0.000 1.135 155 Y CB -0.244 38.210 38.460 -0.010 0.000 0.980 155 Y HN -0.023 nan 8.280 nan 0.000 0.499 156 L N 0.054 121.197 121.223 -0.134 0.000 2.141 156 L HA -0.195 4.144 4.340 -0.001 0.000 0.209 156 L C 2.769 179.463 176.870 -0.292 0.000 1.094 156 L CA 1.361 56.072 54.840 -0.215 0.000 0.763 156 L CB -0.903 41.126 42.059 -0.049 0.000 0.908 156 L HN 0.400 nan 8.230 nan 0.000 0.437 157 S N 0.085 115.562 115.700 -0.371 0.000 2.374 157 S HA -0.171 4.299 4.470 -0.001 0.000 0.227 157 S C 1.823 176.267 174.600 -0.260 0.000 1.037 157 S CA 1.198 59.200 58.200 -0.330 0.000 1.024 157 S CB -0.702 62.270 63.200 -0.381 0.000 0.861 157 S HN 0.580 nan 8.310 nan 0.000 0.456 158 G N 1.061 109.698 108.800 -0.271 0.000 2.179 158 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.260 158 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.260 158 G C 0.926 175.732 174.900 -0.156 0.000 0.977 158 G CA 0.376 45.356 45.100 -0.200 0.000 0.641 158 G HN 0.491 nan 8.290 nan 0.000 0.533 159 R N -0.288 120.031 120.500 -0.301 0.000 2.276 159 R HA 0.299 4.638 4.340 -0.001 0.000 0.196 159 R C 1.291 177.431 176.300 -0.267 0.000 0.961 159 R CA 1.294 57.148 56.100 -0.411 0.000 1.024 159 R CB 0.053 29.697 30.300 -1.093 0.000 0.940 159 R HN 0.988 nan 8.270 nan 0.000 0.480 160 V N -2.079 117.715 119.914 -0.200 0.000 3.126 160 V HA 0.435 4.555 4.120 -0.001 0.000 0.314 160 V C -0.560 175.322 176.094 -0.353 0.000 1.138 160 V CA -1.285 60.884 62.300 -0.219 0.000 1.034 160 V CB 2.576 34.312 31.823 -0.146 0.000 1.075 160 V HN -0.207 nan 8.190 nan 0.000 0.442 161 D N 2.495 122.473 120.400 -0.704 0.000 2.468 161 D HA 0.290 4.929 4.640 -0.001 0.000 0.218 161 D C 1.033 177.203 176.300 -0.216 0.000 1.155 161 D CA -0.391 53.164 54.000 -0.741 0.000 0.924 161 D CB 1.155 41.350 40.800 -1.008 0.000 1.029 161 D HN 0.512 nan 8.370 nan 0.000 0.515 162 M N 2.486 122.047 119.600 -0.066 0.000 2.213 162 M HA -0.120 4.360 4.480 -0.001 0.000 0.263 162 M C 1.942 178.254 176.300 0.021 0.000 1.062 162 M CA 1.016 56.324 55.300 0.012 0.000 1.105 162 M CB -0.660 32.012 32.600 0.121 0.000 1.385 162 M HN 0.426 nan 8.290 nan 0.000 0.417 163 R N -0.007 120.513 120.500 0.033 0.000 2.081 163 R HA -0.160 4.180 4.340 -0.001 0.000 0.235 163 R C 2.207 178.532 176.300 0.041 0.000 1.131 163 R CA 1.274 57.399 56.100 0.042 0.000 0.960 163 R CB 0.099 30.435 30.300 0.061 0.000 0.856 163 R HN 0.331 nan 8.270 nan 0.000 0.436 164 Q N 0.314 120.140 119.800 0.044 0.000 2.123 164 Q HA -0.093 4.247 4.340 -0.001 0.000 0.199 164 Q C 2.185 178.283 176.000 0.163 0.000 0.966 164 Q CA 1.234 57.101 55.803 0.108 0.000 0.845 164 Q CB -0.041 28.772 28.738 0.125 0.000 0.907 164 Q HN 0.464 nan 8.270 nan 0.000 0.439 165 I N 0.673 121.287 120.570 0.074 0.000 2.179 165 I HA -0.264 3.906 4.170 -0.001 0.000 0.242 165 I C 2.000 178.109 176.117 -0.013 0.000 1.088 165 I CA 1.200 62.467 61.300 -0.055 0.000 1.357 165 I CB -0.224 37.668 38.000 -0.180 0.000 1.051 165 I HN 0.220 nan 8.210 nan 0.000 0.409 166 E N 0.675 120.876 120.200 0.002 0.000 2.153 166 E HA -0.267 4.083 4.350 -0.001 0.000 0.194 166 E C 2.098 178.704 176.600 0.010 0.000 0.988 166 E CA 1.040 57.439 56.400 -0.000 0.000 0.811 166 E CB -0.020 29.680 29.700 -0.001 0.000 0.746 166 E HN 0.332 nan 8.360 nan 0.000 0.466 167 K N 0.370 120.790 120.400 0.035 0.000 2.097 167 K HA -0.097 4.223 4.320 -0.001 0.000 0.205 167 K C 1.984 178.657 176.600 0.121 0.000 1.050 167 K CA 1.555 57.850 56.287 0.014 0.000 0.938 167 K CB 0.062 32.590 32.500 0.047 0.000 0.718 167 K HN -0.029 nan 8.250 nan 0.000 0.442 168 T N 1.177 115.870 114.554 0.231 0.000 2.821 168 T HA -0.071 4.278 4.350 -0.001 0.000 0.267 168 T C 1.740 176.583 174.700 0.238 0.000 1.046 168 T CA 1.329 63.633 62.100 0.340 0.000 1.139 168 T CB -0.121 68.991 68.868 0.407 0.000 0.871 168 T HN 0.177 nan 8.240 nan 0.000 0.454 169 I N 0.817 121.453 120.570 0.111 0.000 2.252 169 I HA -0.179 3.991 4.170 -0.001 0.000 0.245 169 I C 2.861 179.010 176.117 0.054 0.000 1.102 169 I CA 1.230 62.565 61.300 0.058 0.000 1.385 169 I CB -0.356 37.647 38.000 0.004 0.000 1.064 169 I HN 0.270 nan 8.210 nan 0.000 0.414 170 Q N 0.186 119.995 119.800 0.015 0.000 2.084 170 Q HA -0.240 4.100 4.340 -0.001 0.000 0.202 170 Q C 2.292 178.300 176.000 0.013 0.000 0.978 170 Q CA 1.865 57.645 55.803 -0.039 0.000 0.844 170 Q CB -0.078 28.580 28.738 -0.132 0.000 0.898 170 Q HN 0.411 nan 8.270 nan 0.000 0.426 171 Y N 0.184 120.525 120.300 0.068 0.000 2.114 171 Y HA -0.266 4.284 4.550 -0.001 0.000 0.284 171 Y C 2.119 178.062 175.900 0.072 0.000 1.143 171 Y CA 1.265 59.425 58.100 0.099 0.000 1.135 171 Y CB -0.691 37.875 38.460 0.177 0.000 0.980 171 Y HN 0.210 nan 8.280 nan 0.000 0.499 172 L N 0.199 121.574 121.223 0.253 0.000 2.013 172 L HA -0.242 4.098 4.340 -0.001 0.000 0.212 172 L C 2.137 179.051 176.870 0.074 0.000 1.073 172 L CA 1.739 56.663 54.840 0.140 0.000 0.753 172 L CB -0.910 41.223 42.059 0.123 0.000 0.890 172 L HN 0.242 nan 8.230 nan 0.000 0.432 173 I N -0.945 119.653 120.570 0.047 0.000 2.286 173 I HA -0.217 3.952 4.170 -0.001 0.000 0.248 173 I C 2.399 178.527 176.117 0.017 0.000 1.115 173 I CA 1.260 62.561 61.300 0.001 0.000 1.392 173 I CB -1.058 36.929 38.000 -0.021 0.000 1.065 173 I HN 0.427 nan 8.210 nan 0.000 0.418 174 G N -0.194 108.634 108.800 0.046 0.000 2.422 174 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.218 174 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.218 174 G C 1.738 176.669 174.900 0.051 0.000 1.140 174 G CA 0.739 45.869 45.100 0.049 0.000 0.775 174 G HN 0.347 nan 8.290 nan 0.000 0.545 175 S N -0.064 115.672 115.700 0.061 0.000 2.414 175 S HA 0.318 4.788 4.470 -0.001 0.000 0.227 175 S C 1.695 176.297 174.600 0.003 0.000 1.022 175 S CA 0.762 58.977 58.200 0.025 0.000 0.958 175 S CB -0.291 62.915 63.200 0.011 0.000 0.797 175 S HN 1.153 nan 8.310 nan 0.000 0.493 176 G N 1.557 110.363 108.800 0.012 0.000 2.601 176 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.252 176 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.252 176 G C -0.490 174.423 174.900 0.022 0.000 1.294 176 G CA 0.271 45.380 45.100 0.016 0.000 0.912 176 G HN 0.412 nan 8.290 nan 0.000 0.574 177 M N -0.221 119.407 119.600 0.047 0.000 2.523 177 M HA 0.449 4.928 4.480 -0.001 0.000 0.287 177 M C -2.451 173.887 176.300 0.064 0.000 1.160 177 M CA -0.600 54.746 55.300 0.077 0.000 0.902 177 M CB 2.161 34.861 32.600 0.167 0.000 1.752 177 M HN 0.785 nan 8.290 nan 0.000 0.504 178 D N 5.312 125.756 120.400 0.073 0.000 2.454 178 D HA 0.476 5.116 4.640 -0.001 0.000 0.247 178 D C -1.848 174.427 176.300 -0.042 0.000 1.129 178 D CA -1.460 52.542 54.000 0.003 0.000 0.877 178 D CB 1.896 42.702 40.800 0.010 0.000 1.082 178 D HN 0.311 nan 8.370 nan 0.000 0.537 179 P HA -0.048 nan 4.420 nan 0.000 0.237 179 P C -0.238 176.836 177.300 -0.378 0.000 1.178 179 P CA 0.195 62.995 63.100 -0.501 0.000 0.766 179 P CB 0.293 31.335 31.700 -1.097 0.000 0.876 180 R N -0.824 119.545 120.500 -0.218 0.000 3.532 180 R HA -0.074 4.265 4.340 -0.001 0.000 0.284 180 R C 0.754 176.950 176.300 -0.173 0.000 1.140 180 R CA 1.067 57.077 56.100 -0.150 0.000 0.768 180 R CB -3.187 27.053 30.300 -0.098 0.000 1.252 180 R HN 0.409 nan 8.270 nan 0.000 0.454 181 T N -3.080 111.340 114.554 -0.223 0.000 3.081 181 T HA 0.083 4.432 4.350 -0.001 0.000 0.250 181 T C 0.551 175.149 174.700 -0.170 0.000 1.100 181 T CA 0.215 62.194 62.100 -0.201 0.000 1.038 181 T CB 0.112 68.824 68.868 -0.259 0.000 0.962 181 T HN 0.434 nan 8.240 nan 0.000 0.516 182 E N 1.584 121.681 120.200 -0.170 0.000 2.328 182 E HA -0.281 4.068 4.350 -0.001 0.000 0.233 182 E C -0.023 176.457 176.600 -0.201 0.000 1.219 182 E CA 0.346 56.640 56.400 -0.176 0.000 0.717 182 E CB -2.333 27.288 29.700 -0.132 0.000 1.210 182 E HN 0.771 nan 8.360 nan 0.000 0.381 183 N N -1.643 116.925 118.700 -0.220 0.000 2.778 183 N HA -0.233 4.507 4.740 -0.001 0.000 0.249 183 N C -0.434 174.987 175.510 -0.149 0.000 1.069 183 N CA 1.319 54.255 53.050 -0.189 0.000 0.831 183 N CB -0.714 37.643 38.487 -0.217 0.000 1.142 183 N HN 0.374 nan 8.380 nan 0.000 0.573 184 S N -0.297 115.305 115.700 -0.163 0.000 2.422 184 S HA 0.455 4.925 4.470 -0.001 0.000 0.298 184 S C -1.645 172.813 174.600 -0.236 0.000 1.118 184 S CA -1.791 56.328 58.200 -0.135 0.000 1.083 184 S CB 1.291 64.446 63.200 -0.075 0.000 0.971 184 S HN -0.122 nan 8.310 nan 0.000 0.478 185 P HA -0.068 nan 4.420 nan 0.000 0.221 185 P C 0.341 177.379 177.300 -0.436 0.000 1.145 185 P CA 1.004 63.633 63.100 -0.785 0.000 0.795 185 P CB -0.001 30.905 31.700 -1.323 0.000 0.775 186 Y N -0.897 119.280 120.300 -0.205 0.000 2.163 186 Y HA -0.106 4.444 4.550 -0.001 0.000 0.288 186 Y C 2.276 178.106 175.900 -0.117 0.000 1.136 186 Y CA 1.182 59.231 58.100 -0.084 0.000 1.147 186 Y CB -1.203 37.215 38.460 -0.070 0.000 0.987 186 Y HN -0.147 nan 8.280 nan 0.000 0.509 187 L N -1.343 119.900 121.223 0.034 0.000 2.072 187 L HA -0.101 4.239 4.340 -0.001 0.000 0.205 187 L C 2.660 179.507 176.870 -0.039 0.000 1.079 187 L CA 1.157 55.996 54.840 -0.001 0.000 0.752 187 L CB -1.208 40.826 42.059 -0.041 0.000 0.906 187 L HN 0.314 nan 8.230 nan 0.000 0.436 188 G N 0.279 108.964 108.800 -0.193 0.000 2.459 188 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.217 188 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.217 188 G C 1.255 176.068 174.900 -0.146 0.000 1.183 188 G CA 0.626 45.565 45.100 -0.267 0.000 0.776 188 G HN 0.199 nan 8.290 nan 0.000 0.552 189 F N 0.681 120.585 119.950 -0.076 0.000 2.502 189 F HA 0.185 4.712 4.527 -0.001 0.000 0.298 189 F C 2.456 178.263 175.800 0.011 0.000 1.111 189 F CA -0.585 57.371 58.000 -0.073 0.000 1.445 189 F CB -0.141 38.846 39.000 -0.021 0.000 1.081 189 F HN 0.069 nan 8.300 nan 0.000 0.558 190 I N -1.476 119.205 120.570 0.184 0.000 2.277 190 I HA -0.276 3.894 4.170 -0.001 0.000 0.243 190 I C 2.375 178.647 176.117 0.258 0.000 1.094 190 I CA 1.157 62.578 61.300 0.202 0.000 1.393 190 I CB -1.164 36.901 38.000 0.109 0.000 1.078 190 I HN 0.110 nan 8.210 nan 0.000 0.417 191 Y N 2.689 123.035 120.300 0.077 0.000 2.070 191 Y HA -0.363 4.187 4.550 -0.000 0.000 0.280 191 Y C 2.957 178.904 175.900 0.078 0.000 1.148 191 Y CA 2.934 61.068 58.100 0.056 0.000 1.125 191 Y CB -0.680 37.767 38.460 -0.022 0.000 0.975 191 Y HN 0.324 nan 8.280 nan 0.000 0.492 192 T N -2.928 111.601 114.554 -0.041 0.000 2.788 192 T HA -0.181 4.169 4.350 -0.001 0.000 0.268 192 T C 2.084 176.710 174.700 -0.124 0.000 1.044 192 T CA 1.626 63.566 62.100 -0.266 0.000 1.139 192 T CB -0.924 67.505 68.868 -0.731 0.000 0.867 192 T HN 0.321 nan 8.240 nan 0.000 0.454 193 S N 0.909 116.640 115.700 0.051 0.000 2.368 193 S HA 0.032 4.502 4.470 -0.001 0.000 0.225 193 S C 1.428 176.127 174.600 0.166 0.000 1.030 193 S CA 1.138 59.470 58.200 0.220 0.000 0.999 193 S CB -0.617 62.813 63.200 0.384 0.000 0.844 193 S HN 0.555 nan 8.310 nan 0.000 0.459 194 F N 2.573 122.525 119.950 0.003 0.000 2.084 194 F HA -0.114 4.413 4.527 -0.000 0.000 0.296 194 F C 2.550 178.304 175.800 -0.078 0.000 1.111 194 F CA 1.380 59.358 58.000 -0.038 0.000 1.224 194 F CB -0.416 38.543 39.000 -0.069 0.000 0.991 194 F HN 0.052 nan 8.300 nan 0.000 0.471 195 Q N 0.587 120.446 119.800 0.097 0.000 2.096 195 Q HA -0.206 4.134 4.340 -0.001 0.000 0.204 195 Q C 2.117 178.137 176.000 0.032 0.000 0.982 195 Q CA 1.651 57.449 55.803 -0.008 0.000 0.850 195 Q CB -0.707 27.898 28.738 -0.221 0.000 0.901 195 Q HN 0.523 nan 8.270 nan 0.000 0.422 196 E N 0.430 120.697 120.200 0.112 0.000 2.110 196 E HA -0.188 4.162 4.350 -0.001 0.000 0.193 196 E C 2.011 178.709 176.600 0.163 0.000 0.988 196 E CA 0.871 57.411 56.400 0.234 0.000 0.804 196 E CB -0.172 29.754 29.700 0.376 0.000 0.745 196 E HN 0.317 nan 8.360 nan 0.000 0.458 197 R N 0.603 121.128 120.500 0.041 0.000 2.115 197 R HA -0.005 4.335 4.340 -0.001 0.000 0.226 197 R C 2.182 178.484 176.300 0.003 0.000 1.100 197 R CA 1.111 57.213 56.100 0.004 0.000 0.980 197 R CB -0.085 30.117 30.300 -0.162 0.000 0.875 197 R HN 0.098 nan 8.270 nan 0.000 0.445 198 A N 0.341 123.089 122.820 -0.120 0.000 1.902 198 A HA -0.165 4.155 4.320 -0.001 0.000 0.217 198 A C 2.234 179.725 177.584 -0.154 0.000 1.181 198 A CA 1.990 53.928 52.037 -0.165 0.000 0.623 198 A CB -1.061 17.795 19.000 -0.239 0.000 0.818 198 A HN 0.626 nan 8.150 nan 0.000 0.443 199 T N -3.110 111.412 114.554 -0.053 0.000 2.857 199 T HA -0.148 4.202 4.350 -0.001 0.000 0.266 199 T C 1.731 176.457 174.700 0.043 0.000 1.048 199 T CA 1.441 63.513 62.100 -0.045 0.000 1.139 199 T CB -0.561 68.385 68.868 0.131 0.000 0.874 199 T HN 0.386 nan 8.240 nan 0.000 0.455 200 F N 2.171 122.133 119.950 0.021 0.000 2.126 200 F HA 0.064 4.590 4.527 -0.001 0.000 0.299 200 F C 1.879 177.671 175.800 -0.013 0.000 1.096 200 F CA 0.642 58.658 58.000 0.026 0.000 1.255 200 F CB -0.510 38.482 39.000 -0.013 0.000 0.997 200 F HN 0.136 nan 8.300 nan 0.000 0.479 201 I N -0.503 119.920 120.570 -0.247 0.000 2.133 201 I HA -0.310 3.859 4.170 -0.001 0.000 0.238 201 I C 2.537 178.524 176.117 -0.217 0.000 1.074 201 I CA 1.473 62.600 61.300 -0.287 0.000 1.342 201 I CB -0.829 37.156 38.000 -0.025 0.000 1.053 201 I HN 0.072 nan 8.210 nan 0.000 0.404 202 S N -0.155 115.445 115.700 -0.167 0.000 2.359 202 S HA -0.246 4.223 4.470 -0.001 0.000 0.223 202 S C 2.007 176.481 174.600 -0.211 0.000 1.039 202 S CA 1.395 59.480 58.200 -0.192 0.000 1.042 202 S CB -0.590 62.426 63.200 -0.307 0.000 0.915 202 S HN 0.422 nan 8.310 nan 0.000 0.439 203 H N 0.685 119.668 119.070 -0.145 0.000 2.421 203 H HA -0.002 4.553 4.556 -0.001 0.000 0.298 203 H C 2.491 177.685 175.328 -0.223 0.000 1.087 203 H CA 1.257 57.205 56.048 -0.167 0.000 1.330 203 H CB -0.936 28.740 29.762 -0.144 0.000 1.388 203 H HN 0.480 nan 8.280 nan 0.000 0.526 204 G N 0.769 109.437 108.800 -0.220 0.000 2.403 204 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.216 204 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.216 204 G C 1.745 176.527 174.900 -0.196 0.000 1.154 204 G CA 0.278 45.198 45.100 -0.300 0.000 0.784 204 G HN 0.340 nan 8.290 nan 0.000 0.538 205 N N 0.758 119.355 118.700 -0.171 0.000 2.171 205 N HA -0.106 4.633 4.740 -0.001 0.000 0.184 205 N C 2.661 178.135 175.510 -0.060 0.000 1.021 205 N CA 1.863 54.848 53.050 -0.109 0.000 0.854 205 N CB -0.623 37.810 38.487 -0.091 0.000 0.994 205 N HN 0.462 nan 8.380 nan 0.000 0.426 206 T N -0.982 113.536 114.554 -0.061 0.000 2.821 206 T HA 0.044 4.394 4.350 -0.001 0.000 0.267 206 T C 2.054 176.797 174.700 0.071 0.000 1.046 206 T CA 1.186 63.283 62.100 -0.005 0.000 1.139 206 T CB -0.354 68.448 68.868 -0.110 0.000 0.871 206 T HN 0.150 nan 8.240 nan 0.000 0.454 207 A N 2.171 124.974 122.820 -0.029 0.000 1.877 207 A HA -0.069 4.251 4.320 -0.001 0.000 0.216 207 A C 2.610 180.154 177.584 -0.066 0.000 1.186 207 A CA 1.537 53.533 52.037 -0.068 0.000 0.620 207 A CB -0.711 18.217 19.000 -0.119 0.000 0.822 207 A HN 0.514 nan 8.150 nan 0.000 0.443 208 R N -0.741 119.716 120.500 -0.071 0.000 2.080 208 R HA -0.175 4.165 4.340 -0.001 0.000 0.236 208 R C 2.508 178.751 176.300 -0.096 0.000 1.137 208 R CA 1.930 57.980 56.100 -0.083 0.000 0.943 208 R CB -0.379 29.871 30.300 -0.083 0.000 0.846 208 R HN 0.685 nan 8.270 nan 0.000 0.431 209 Q N -0.376 119.391 119.800 -0.055 0.000 2.224 209 Q HA -0.078 4.262 4.340 -0.001 0.000 0.203 209 Q C 2.076 177.926 176.000 -0.251 0.000 0.970 209 Q CA 1.207 56.934 55.803 -0.128 0.000 0.865 209 Q CB -0.009 28.774 28.738 0.075 0.000 0.922 209 Q HN 0.368 nan 8.270 nan 0.000 0.445 210 A N 1.636 124.395 122.820 -0.100 0.000 1.902 210 A HA -0.233 4.086 4.320 -0.001 0.000 0.217 210 A C 2.005 179.482 177.584 -0.178 0.000 1.181 210 A CA 1.625 53.537 52.037 -0.208 0.000 0.623 210 A CB -0.414 18.510 19.000 -0.126 0.000 0.818 210 A HN 0.233 nan 8.150 nan 0.000 0.443 211 K N -0.012 120.299 120.400 -0.148 0.000 2.097 211 K HA -0.192 4.127 4.320 -0.001 0.000 0.206 211 K C 1.755 178.265 176.600 -0.151 0.000 1.049 211 K CA 1.738 57.950 56.287 -0.125 0.000 0.933 211 K CB -0.194 32.243 32.500 -0.105 0.000 0.717 211 K HN 0.620 nan 8.250 nan 0.000 0.442 212 E N -0.647 119.408 120.200 -0.242 0.000 2.204 212 E HA -0.147 4.202 4.350 -0.001 0.000 0.194 212 E C 1.340 177.769 176.600 -0.285 0.000 0.989 212 E CA 0.695 56.923 56.400 -0.288 0.000 0.824 212 E CB 0.049 29.518 29.700 -0.385 0.000 0.756 212 E HN 0.443 nan 8.360 nan 0.000 0.477 213 H N -1.027 117.968 119.070 -0.124 0.000 2.539 213 H HA 0.189 4.745 4.556 -0.001 0.000 0.269 213 H C 1.334 176.601 175.328 -0.102 0.000 0.980 213 H CA 0.782 56.751 56.048 -0.131 0.000 1.152 213 H CB 0.955 30.580 29.762 -0.228 0.000 1.407 213 H HN 0.333 nan 8.280 nan 0.000 0.564 214 G N 0.982 109.775 108.800 -0.011 0.000 2.175 214 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.244 214 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.244 214 G C -0.044 174.843 174.900 -0.021 0.000 0.982 214 G CA 0.172 45.263 45.100 -0.015 0.000 0.641 214 G HN 0.393 nan 8.290 nan 0.000 0.527 215 D N 0.845 121.221 120.400 -0.041 0.000 2.485 215 D HA 0.429 5.069 4.640 -0.001 0.000 0.229 215 D C 2.080 178.342 176.300 -0.063 0.000 1.101 215 D CA -0.243 53.731 54.000 -0.044 0.000 0.906 215 D CB 0.030 40.798 40.800 -0.053 0.000 1.019 215 D HN 0.457 nan 8.370 nan 0.000 0.516 216 I N 0.223 120.767 120.570 -0.044 0.000 2.546 216 I HA -0.091 4.079 4.170 -0.001 0.000 0.255 216 I C 1.753 177.841 176.117 -0.048 0.000 1.163 216 I CA 0.487 61.758 61.300 -0.049 0.000 1.457 216 I CB 0.077 38.058 38.000 -0.031 0.000 1.092 216 I HN -0.030 nan 8.210 nan 0.000 0.434 217 K N 0.809 121.192 120.400 -0.029 0.000 2.097 217 K HA -0.081 4.238 4.320 -0.001 0.000 0.205 217 K C 2.133 178.681 176.600 -0.087 0.000 1.050 217 K CA 1.232 57.512 56.287 -0.011 0.000 0.938 217 K CB -0.243 32.279 32.500 0.038 0.000 0.718 217 K HN 0.256 nan 8.250 nan 0.000 0.442 218 L N 1.097 122.232 121.223 -0.146 0.000 2.141 218 L HA -0.059 4.280 4.340 -0.001 0.000 0.209 218 L C 2.077 178.806 176.870 -0.235 0.000 1.094 218 L CA 1.527 56.193 54.840 -0.290 0.000 0.763 218 L CB -0.606 41.260 42.059 -0.323 0.000 0.908 218 L HN 0.070 nan 8.230 nan 0.000 0.437 219 A N -1.148 121.574 122.820 -0.164 0.000 1.930 219 A HA -0.223 4.097 4.320 -0.001 0.000 0.217 219 A C 2.189 179.663 177.584 -0.184 0.000 1.175 219 A CA 1.652 53.601 52.037 -0.147 0.000 0.627 219 A CB -0.457 18.477 19.000 -0.109 0.000 0.815 219 A HN 0.633 nan 8.150 nan 0.000 0.443 220 Q N -0.506 119.192 119.800 -0.171 0.000 2.046 220 Q HA -0.088 4.252 4.340 -0.001 0.000 0.200 220 Q C 2.057 177.770 176.000 -0.478 0.000 0.975 220 Q CA 1.410 57.091 55.803 -0.204 0.000 0.836 220 Q CB -0.307 28.418 28.738 -0.021 0.000 0.896 220 Q HN 0.725 nan 8.270 nan 0.000 0.428 221 I N 0.250 120.514 120.570 -0.510 0.000 2.069 221 I HA -0.390 3.779 4.170 -0.001 0.000 0.237 221 I C 2.444 178.170 176.117 -0.652 0.000 1.053 221 I CA 1.109 61.969 61.300 -0.733 0.000 1.311 221 I CB -0.414 37.296 38.000 -0.483 0.000 1.030 221 I HN 0.341 nan 8.210 nan 0.000 0.398 222 C N 0.845 119.886 119.300 -0.432 0.000 2.413 222 C HA -0.126 4.334 4.460 -0.001 0.000 0.277 222 C C 2.911 177.692 174.990 -0.350 0.000 1.265 222 C CA 1.006 59.815 59.018 -0.348 0.000 1.752 222 C CB -1.863 25.768 27.740 -0.181 0.000 1.998 222 C HN 0.722 nan 8.230 nan 0.000 0.489 223 G N 0.048 108.655 108.800 -0.323 0.000 2.408 223 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.217 223 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.217 223 G C 1.660 176.370 174.900 -0.317 0.000 1.150 223 G CA 1.523 46.469 45.100 -0.257 0.000 0.776 223 G HN 0.512 nan 8.290 nan 0.000 0.542 224 T N 1.253 115.487 114.554 -0.534 0.000 2.867 224 T HA 0.007 4.357 4.350 -0.001 0.000 0.268 224 T C 2.341 176.691 174.700 -0.582 0.000 1.057 224 T CA 0.681 62.370 62.100 -0.685 0.000 1.136 224 T CB -0.065 68.007 68.868 -1.328 0.000 0.874 224 T HN 0.245 nan 8.240 nan 0.000 0.466 225 I N 1.198 121.377 120.570 -0.652 0.000 2.286 225 I HA -0.097 4.073 4.170 -0.001 0.000 0.245 225 I C 2.916 178.822 176.117 -0.351 0.000 1.104 225 I CA 0.826 61.736 61.300 -0.648 0.000 1.397 225 I CB -0.437 36.996 38.000 -0.945 0.000 1.072 225 I HN 0.182 nan 8.210 nan 0.000 0.417 226 A N 0.950 123.639 122.820 -0.218 0.000 1.908 226 A HA -0.211 4.109 4.320 -0.001 0.000 0.218 226 A C 2.557 180.256 177.584 0.190 0.000 1.181 226 A CA 1.939 54.013 52.037 0.061 0.000 0.627 226 A CB -0.849 18.148 19.000 -0.006 0.000 0.818 226 A HN 0.428 nan 8.150 nan 0.000 0.445 227 A N 0.073 122.931 122.820 0.064 0.000 1.908 227 A HA -0.219 4.101 4.320 -0.001 0.000 0.218 227 A C 1.731 179.341 177.584 0.043 0.000 1.181 227 A CA 2.104 54.183 52.037 0.069 0.000 0.627 227 A CB -0.661 18.354 19.000 0.026 0.000 0.818 227 A HN 0.478 nan 8.150 nan 0.000 0.445 228 D N -0.204 120.231 120.400 0.058 0.000 2.144 228 D HA -0.102 4.538 4.640 -0.001 0.000 0.200 228 D C 1.974 178.111 176.300 -0.271 0.000 0.978 228 D CA 1.182 55.153 54.000 -0.047 0.000 0.833 228 D CB -0.253 40.675 40.800 0.213 0.000 0.961 228 D HN 0.444 nan 8.370 nan 0.000 0.470 229 E N 0.819 121.047 120.200 0.046 0.000 2.058 229 E HA -0.205 4.145 4.350 -0.001 0.000 0.194 229 E C 1.944 178.595 176.600 0.084 0.000 0.997 229 E CA 0.768 57.289 56.400 0.201 0.000 0.801 229 E CB -0.274 29.649 29.700 0.372 0.000 0.746 229 E HN 0.338 nan 8.360 nan 0.000 0.450 230 K N 0.920 121.286 120.400 -0.057 0.000 2.063 230 K HA -0.140 4.179 4.320 -0.001 0.000 0.208 230 K C 2.261 178.782 176.600 -0.131 0.000 1.048 230 K CA 1.200 57.323 56.287 -0.274 0.000 0.928 230 K CB 0.048 32.280 32.500 -0.447 0.000 0.713 230 K HN -0.036 nan 8.250 nan 0.000 0.442 231 R N -0.842 119.605 120.500 -0.087 0.000 2.081 231 R HA -0.111 4.229 4.340 -0.001 0.000 0.235 231 R C 2.221 178.578 176.300 0.095 0.000 1.131 231 R CA 1.885 57.976 56.100 -0.015 0.000 0.960 231 R CB -0.472 29.839 30.300 0.018 0.000 0.856 231 R HN 0.480 nan 8.270 nan 0.000 0.436 232 H N -0.197 119.000 119.070 0.212 0.000 2.353 232 H HA -0.123 4.432 4.556 -0.001 0.000 0.300 232 H C 2.125 177.607 175.328 0.257 0.000 1.090 232 H CA 1.141 57.401 56.048 0.352 0.000 1.327 232 H CB 0.110 30.211 29.762 0.566 0.000 1.383 232 H HN 0.330 nan 8.280 nan 0.000 0.508 233 E N 0.572 120.959 120.200 0.311 0.000 2.051 233 E HA -0.167 4.183 4.350 -0.001 0.000 0.192 233 E C 1.875 178.529 176.600 0.090 0.000 0.991 233 E CA 1.631 58.160 56.400 0.215 0.000 0.799 233 E CB 0.100 29.824 29.700 0.040 0.000 0.748 233 E HN 0.358 nan 8.360 nan 0.000 0.449 234 T N 0.804 115.325 114.554 -0.055 0.000 2.684 234 T HA -0.189 4.161 4.350 -0.001 0.000 0.267 234 T C 1.870 176.367 174.700 -0.339 0.000 1.036 234 T CA 1.652 63.637 62.100 -0.191 0.000 1.148 234 T CB -0.370 68.322 68.868 -0.293 0.000 0.863 234 T HN 0.356 nan 8.240 nan 0.000 0.436 235 A N 0.240 122.761 122.820 -0.498 0.000 1.902 235 A HA -0.065 4.255 4.320 -0.001 0.000 0.217 235 A C 2.081 179.434 177.584 -0.385 0.000 1.181 235 A CA 1.346 53.033 52.037 -0.583 0.000 0.623 235 A CB -0.920 17.718 19.000 -0.605 0.000 0.818 235 A HN 0.521 nan 8.150 nan 0.000 0.443 236 Y N 1.179 121.414 120.300 -0.109 0.000 2.200 236 Y HA -0.168 4.381 4.550 -0.001 0.000 0.290 236 Y C 3.147 179.102 175.900 0.092 0.000 1.137 236 Y CA 1.634 59.701 58.100 -0.054 0.000 1.163 236 Y CB -1.225 37.292 38.460 0.096 0.000 0.988 236 Y HN 0.505 nan 8.280 nan 0.000 0.518 237 T N -1.995 112.748 114.554 0.316 0.000 2.833 237 T HA -0.159 4.190 4.350 -0.001 0.000 0.269 237 T C 1.795 176.754 174.700 0.432 0.000 1.054 237 T CA 1.147 63.509 62.100 0.437 0.000 1.135 237 T CB -0.113 68.859 68.868 0.173 0.000 0.869 237 T HN 0.082 nan 8.240 nan 0.000 0.466 238 K N 1.343 121.881 120.400 0.230 0.000 2.057 238 K HA 0.139 4.458 4.320 -0.001 0.000 0.207 238 K C 2.313 179.127 176.600 0.357 0.000 1.049 238 K CA 0.989 57.432 56.287 0.260 0.000 0.931 238 K CB -0.650 31.946 32.500 0.159 0.000 0.714 238 K HN 0.479 nan 8.250 nan 0.000 0.440 239 I N 0.947 121.683 120.570 0.276 0.000 2.226 239 I HA -0.248 3.922 4.170 -0.001 0.000 0.245 239 I C 2.235 178.400 176.117 0.081 0.000 1.100 239 I CA 0.998 62.440 61.300 0.236 0.000 1.374 239 I CB -0.396 37.560 38.000 -0.074 0.000 1.057 239 I HN -0.163 nan 8.210 nan 0.000 0.413 240 V N 0.531 120.504 119.914 0.097 0.000 2.453 240 V HA -0.237 3.882 4.120 -0.001 0.000 0.247 240 V C 2.450 178.477 176.094 -0.112 0.000 1.048 240 V CA 1.737 63.963 62.300 -0.124 0.000 1.049 240 V CB -0.684 30.906 31.823 -0.388 0.000 0.672 240 V HN 0.464 nan 8.190 nan 0.000 0.457 241 E N 0.269 120.533 120.200 0.108 0.000 2.085 241 E HA -0.281 4.068 4.350 -0.001 0.000 0.194 241 E C 2.291 178.930 176.600 0.066 0.000 0.994 241 E CA 1.235 57.736 56.400 0.167 0.000 0.801 241 E CB -0.001 29.862 29.700 0.272 0.000 0.743 241 E HN 0.307 nan 8.360 nan 0.000 0.453 242 K N 0.455 120.833 120.400 -0.036 0.000 2.097 242 K HA -0.074 4.246 4.320 -0.001 0.000 0.205 242 K C 2.197 178.646 176.600 -0.252 0.000 1.050 242 K CA 0.703 56.845 56.287 -0.242 0.000 0.938 242 K CB -0.284 31.795 32.500 -0.701 0.000 0.718 242 K HN 0.270 nan 8.250 nan 0.000 0.442 243 L N -0.703 120.366 121.223 -0.257 0.000 2.201 243 L HA -0.103 4.236 4.340 -0.001 0.000 0.212 243 L C 1.940 178.679 176.870 -0.219 0.000 1.105 243 L CA 0.701 55.343 54.840 -0.329 0.000 0.775 243 L CB -0.284 41.476 42.059 -0.498 0.000 0.913 243 L HN 0.005 nan 8.230 nan 0.000 0.440 244 F N 0.136 119.958 119.950 -0.214 0.000 2.748 244 F HA -0.069 4.458 4.527 -0.001 0.000 0.299 244 F C 2.158 177.911 175.800 -0.079 0.000 1.154 244 F CA 0.821 58.739 58.000 -0.137 0.000 1.446 244 F CB 0.062 38.966 39.000 -0.159 0.000 1.112 244 F HN 0.099 nan 8.300 nan 0.000 0.584 245 E N -0.242 119.992 120.200 0.057 0.000 2.134 245 E HA 0.025 4.374 4.350 -0.001 0.000 0.194 245 E C 2.247 178.826 176.600 -0.035 0.000 0.937 245 E CA 0.487 56.897 56.400 0.016 0.000 0.874 245 E CB -0.050 29.639 29.700 -0.019 0.000 0.853 245 E HN 0.247 nan 8.360 nan 0.000 0.471 246 I N 1.172 121.682 120.570 -0.101 0.000 2.286 246 I HA -0.156 4.014 4.170 -0.001 0.000 0.248 246 I C 0.974 177.047 176.117 -0.073 0.000 1.115 246 I CA 1.057 62.288 61.300 -0.116 0.000 1.392 246 I CB 0.220 38.100 38.000 -0.201 0.000 1.065 246 I HN 0.038 nan 8.210 nan 0.000 0.418 247 D N -0.664 119.702 120.400 -0.057 0.000 2.656 247 D HA 0.166 4.806 4.640 -0.001 0.000 0.303 247 D C -1.886 174.388 176.300 -0.043 0.000 1.199 247 D CA -1.484 52.508 54.000 -0.014 0.000 0.797 247 D CB 0.905 41.769 40.800 0.105 0.000 1.170 247 D HN -0.093 nan 8.370 nan 0.000 0.509 248 P HA -0.162 nan 4.420 nan 0.000 0.217 248 P C 1.063 178.347 177.300 -0.026 0.000 1.158 248 P CA 1.084 64.194 63.100 0.016 0.000 0.887 248 P CB 0.581 32.315 31.700 0.057 0.000 0.792 249 D N -1.302 119.082 120.400 -0.028 0.000 2.077 249 D HA -0.078 4.561 4.640 -0.001 0.000 0.196 249 D C 2.323 178.574 176.300 -0.081 0.000 0.986 249 D CA 1.752 55.731 54.000 -0.036 0.000 0.829 249 D CB -1.166 39.613 40.800 -0.034 0.000 0.983 249 D HN 0.054 nan 8.370 nan 0.000 0.453 250 G N -0.366 108.366 108.800 -0.113 0.000 2.469 250 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.220 250 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.220 250 G C 1.643 176.447 174.900 -0.160 0.000 1.136 250 G CA 1.692 46.682 45.100 -0.184 0.000 0.759 250 G HN 0.276 nan 8.290 nan 0.000 0.562 251 T N 0.600 115.053 114.554 -0.169 0.000 2.915 251 T HA -0.039 4.311 4.350 -0.001 0.000 0.269 251 T C 2.504 176.952 174.700 -0.419 0.000 1.071 251 T CA 1.104 62.982 62.100 -0.370 0.000 1.132 251 T CB -0.023 68.299 68.868 -0.910 0.000 0.878 251 T HN 0.139 nan 8.240 nan 0.000 0.479 252 V N 1.298 121.068 119.914 -0.239 0.000 2.591 252 V HA 0.024 4.144 4.120 -0.001 0.000 0.249 252 V C 2.395 178.543 176.094 0.091 0.000 1.053 252 V CA 0.957 63.296 62.300 0.065 0.000 1.068 252 V CB -0.729 31.191 31.823 0.160 0.000 0.689 252 V HN 0.426 nan 8.190 nan 0.000 0.462 253 L N 0.566 121.793 121.223 0.007 0.000 2.046 253 L HA -0.134 4.206 4.340 -0.001 0.000 0.208 253 L C 2.814 179.703 176.870 0.032 0.000 1.077 253 L CA 1.654 56.495 54.840 0.002 0.000 0.747 253 L CB -0.859 41.166 42.059 -0.056 0.000 0.896 253 L HN 0.363 nan 8.230 nan 0.000 0.432 254 A N -0.014 122.819 122.820 0.022 0.000 1.858 254 A HA -0.252 4.067 4.320 -0.001 0.000 0.216 254 A C 2.228 179.932 177.584 0.201 0.000 1.190 254 A CA 1.347 53.423 52.037 0.066 0.000 0.617 254 A CB -0.875 18.160 19.000 0.060 0.000 0.827 254 A HN 0.362 nan 8.150 nan 0.000 0.443 255 F N 1.223 121.195 119.950 0.037 0.000 2.120 255 F HA -0.171 4.356 4.527 -0.001 0.000 0.300 255 F C 2.531 178.439 175.800 0.180 0.000 1.095 255 F CA 0.936 59.022 58.000 0.142 0.000 1.249 255 F CB -0.966 38.172 39.000 0.231 0.000 0.995 255 F HN 0.275 nan 8.300 nan 0.000 0.480 256 A N -0.455 122.517 122.820 0.252 0.000 1.929 256 A HA -0.169 4.150 4.320 -0.001 0.000 0.216 256 A C 2.005 179.718 177.584 0.214 0.000 1.176 256 A CA 1.559 53.735 52.037 0.232 0.000 0.628 256 A CB -1.002 18.132 19.000 0.223 0.000 0.816 256 A HN 0.391 nan 8.150 nan 0.000 0.444 257 D N -0.528 119.950 120.400 0.129 0.000 2.104 257 D HA -0.177 4.463 4.640 -0.001 0.000 0.194 257 D C 1.924 178.281 176.300 0.094 0.000 0.994 257 D CA 1.572 55.611 54.000 0.066 0.000 0.830 257 D CB -0.173 40.641 40.800 0.024 0.000 0.959 257 D HN 0.225 nan 8.370 nan 0.000 0.452 258 M N -0.264 119.425 119.600 0.148 0.000 2.117 258 M HA -0.085 4.394 4.480 -0.001 0.000 0.262 258 M C 2.398 178.797 176.300 0.164 0.000 1.065 258 M CA 1.065 56.455 55.300 0.151 0.000 1.114 258 M CB -1.039 31.690 32.600 0.215 0.000 1.361 258 M HN 0.247 nan 8.290 nan 0.000 0.408 259 M N -1.043 118.687 119.600 0.218 0.000 2.296 259 M HA -0.199 4.280 4.480 -0.001 0.000 0.265 259 M C 2.280 178.725 176.300 0.242 0.000 1.064 259 M CA 1.429 56.851 55.300 0.204 0.000 1.109 259 M CB -0.091 32.577 32.600 0.114 0.000 1.396 259 M HN 0.160 nan 8.290 nan 0.000 0.430 260 R N -0.144 120.505 120.500 0.248 0.000 2.062 260 R HA -0.093 4.246 4.340 -0.001 0.000 0.229 260 R C 2.005 178.347 176.300 0.071 0.000 1.128 260 R CA 1.363 57.565 56.100 0.171 0.000 0.960 260 R CB 0.053 30.372 30.300 0.031 0.000 0.855 260 R HN 0.288 nan 8.270 nan 0.000 0.432 261 K N 0.323 120.742 120.400 0.031 0.000 2.148 261 K HA -0.051 4.269 4.320 -0.001 0.000 0.204 261 K C -0.192 176.409 176.600 0.001 0.000 1.050 261 K CA 0.872 57.136 56.287 -0.039 0.000 0.942 261 K CB 0.054 32.522 32.500 -0.054 0.000 0.724 261 K HN 0.016 nan 8.250 nan 0.000 0.446 262 K N 0.038 120.482 120.400 0.073 0.000 5.560 262 K HA -0.085 4.235 4.320 -0.001 0.000 0.669 262 K C -1.019 175.649 176.600 0.114 0.000 2.466 262 K CA -0.060 56.303 56.287 0.126 0.000 1.913 262 K CB -0.261 32.285 32.500 0.076 0.000 2.891 262 K HN -0.010 nan 8.250 nan 0.000 0.152 263 I N 3.488 124.139 120.570 0.135 0.000 2.406 263 I HA 0.012 4.181 4.170 -0.001 0.000 0.293 263 I C 1.044 177.247 176.117 0.144 0.000 1.101 263 I CA 0.283 61.597 61.300 0.022 0.000 1.334 263 I CB 0.053 37.694 38.000 -0.598 0.000 1.421 263 I HN 0.550 nan 8.210 nan 0.000 0.513 264 S N 7.563 123.347 115.700 0.141 0.000 2.513 264 S HA 0.525 4.995 4.470 -0.001 0.000 0.276 264 S C 0.119 174.788 174.600 0.116 0.000 1.254 264 S CA -1.005 57.202 58.200 0.012 0.000 1.053 264 S CB 1.564 64.610 63.200 -0.257 0.000 0.958 264 S HN 0.369 nan 8.310 nan 0.000 0.491 265 M N 4.057 123.718 119.600 0.102 0.000 2.245 265 M HA 0.209 4.689 4.480 -0.001 0.000 0.344 265 M C -1.272 175.140 176.300 0.187 0.000 1.170 265 M CA -2.619 52.786 55.300 0.174 0.000 1.135 265 M CB -0.450 32.324 32.600 0.290 0.000 1.574 265 M HN 0.468 nan 8.290 nan 0.000 0.452 266 P HA -0.090 nan 4.420 nan 0.000 0.220 266 P C 0.463 177.908 177.300 0.242 0.000 1.148 266 P CA 1.463 64.739 63.100 0.294 0.000 0.803 266 P CB 0.141 31.957 31.700 0.193 0.000 0.782 267 A N 0.359 123.253 122.820 0.124 0.000 2.507 267 A HA 0.050 4.370 4.320 -0.001 0.000 0.270 267 A C 1.726 179.138 177.584 -0.286 0.000 1.318 267 A CA -0.322 51.748 52.037 0.055 0.000 0.924 267 A CB -1.413 17.714 19.000 0.212 0.000 1.061 267 A HN 0.309 nan 8.150 nan 0.000 0.516 268 H N -0.596 118.089 119.070 -0.641 0.000 2.521 268 H HA 0.073 4.629 4.556 -0.001 0.000 0.286 268 H C 0.825 175.998 175.328 -0.258 0.000 1.034 268 H CA 0.862 56.333 56.048 -0.962 0.000 1.278 268 H CB -0.235 29.114 29.762 -0.687 0.000 1.386 268 H HN 0.468 nan 8.280 nan 0.000 0.567 269 L N 0.739 121.653 121.223 -0.516 0.000 2.629 269 L HA 0.185 4.525 4.340 -0.001 0.000 0.230 269 L C 0.858 177.706 176.870 -0.037 0.000 1.151 269 L CA -0.343 54.316 54.840 -0.302 0.000 0.924 269 L CB -0.174 41.678 42.059 -0.346 0.000 1.137 269 L HN 0.116 nan 8.230 nan 0.000 0.457 270 M N 0.870 120.522 119.600 0.086 0.000 2.286 270 M HA -0.123 4.356 4.480 -0.001 0.000 0.365 270 M C -0.980 175.493 176.300 0.288 0.000 1.443 270 M CA 1.076 56.525 55.300 0.248 0.000 0.951 270 M CB 0.099 32.944 32.600 0.408 0.000 1.961 270 M HN 0.027 nan 8.290 nan 0.000 0.468 271 Y N 4.279 124.623 120.300 0.073 0.000 2.441 271 Y HA 0.244 4.794 4.550 -0.000 0.000 0.334 271 Y C -0.570 175.329 175.900 -0.000 0.000 1.061 271 Y CA -1.538 56.517 58.100 -0.076 0.000 1.032 271 Y CB 1.168 39.428 38.460 -0.334 0.000 1.266 271 Y HN 0.762 nan 8.280 nan 0.000 0.441 272 D N 2.153 122.340 120.400 -0.356 0.000 2.424 272 D HA 0.275 4.914 4.640 -0.001 0.000 0.220 272 D C 1.443 177.508 176.300 -0.392 0.000 1.150 272 D CA 0.430 54.333 54.000 -0.161 0.000 0.831 272 D CB 0.272 41.044 40.800 -0.047 0.000 0.981 272 D HN 1.008 nan 8.370 nan 0.000 0.500 273 G N 2.067 110.125 108.800 -1.237 0.000 2.225 273 G HA2 -0.379 3.580 3.960 -0.001 0.000 0.254 273 G HA3 -0.379 3.580 3.960 -0.001 0.000 0.254 273 G C 1.082 175.656 174.900 -0.544 0.000 0.988 273 G CA 0.420 45.034 45.100 -0.809 0.000 0.625 273 G HN 0.608 nan 8.290 nan 0.000 0.527 274 R N -0.590 119.613 120.500 -0.494 0.000 2.526 274 R HA 0.370 4.710 4.340 -0.001 0.000 0.346 274 R C -0.596 175.641 176.300 -0.105 0.000 0.926 274 R CA 0.273 56.258 56.100 -0.191 0.000 1.147 274 R CB 0.494 30.723 30.300 -0.119 0.000 1.629 274 R HN 0.237 nan 8.270 nan 0.000 0.516 275 D N 0.963 121.295 120.400 -0.113 0.000 2.505 275 D HA 0.183 4.823 4.640 -0.001 0.000 0.250 275 D C -0.131 176.282 176.300 0.188 0.000 1.164 275 D CA -0.480 53.521 54.000 0.003 0.000 0.870 275 D CB 1.665 42.405 40.800 -0.100 0.000 1.160 275 D HN -0.052 nan 8.370 nan 0.000 0.549 276 D N 2.520 123.031 120.400 0.185 0.000 2.224 276 D HA -0.071 4.569 4.640 -0.001 0.000 0.205 276 D C -0.001 176.345 176.300 0.077 0.000 0.965 276 D CA 0.745 54.830 54.000 0.143 0.000 0.852 276 D CB 0.252 41.084 40.800 0.053 0.000 0.947 276 D HN 0.438 nan 8.370 nan 0.000 0.494 277 N N 0.563 119.287 118.700 0.041 0.000 2.538 277 N HA 0.084 4.824 4.740 -0.001 0.000 0.291 277 N C 0.993 176.428 175.510 -0.126 0.000 1.323 277 N CA -0.153 52.825 53.050 -0.119 0.000 0.934 277 N CB 0.814 39.083 38.487 -0.363 0.000 1.255 277 N HN -0.077 nan 8.380 nan 0.000 0.509 278 L N 0.053 121.343 121.223 0.112 0.000 2.012 278 L HA -0.039 4.301 4.340 -0.001 0.000 0.210 278 L C 1.696 178.752 176.870 0.309 0.000 1.073 278 L CA 1.718 56.661 54.840 0.171 0.000 0.748 278 L CB -0.542 41.607 42.059 0.149 0.000 0.891 278 L HN 0.292 nan 8.230 nan 0.000 0.431 279 F N 0.574 120.661 119.950 0.228 0.000 2.102 279 F HA -0.230 4.297 4.527 -0.001 0.000 0.298 279 F C 2.278 178.253 175.800 0.292 0.000 1.105 279 F CA 2.007 60.225 58.000 0.364 0.000 1.239 279 F CB -0.495 38.693 39.000 0.313 0.000 0.991 279 F HN 0.236 nan 8.300 nan 0.000 0.474 280 D N -0.933 119.473 120.400 0.011 0.000 2.144 280 D HA -0.196 4.444 4.640 -0.001 0.000 0.199 280 D C 2.065 178.302 176.300 -0.104 0.000 0.984 280 D CA 1.819 55.730 54.000 -0.148 0.000 0.834 280 D CB -0.656 40.046 40.800 -0.163 0.000 0.955 280 D HN 0.515 nan 8.370 nan 0.000 0.465 281 H N -0.844 118.272 119.070 0.076 0.000 2.389 281 H HA -0.078 4.478 4.556 -0.001 0.000 0.299 281 H C 1.873 177.397 175.328 0.328 0.000 1.081 281 H CA 0.864 56.997 56.048 0.141 0.000 1.345 281 H CB -0.048 29.709 29.762 -0.009 0.000 1.393 281 H HN 0.106 nan 8.280 nan 0.000 0.520 282 F N 1.361 121.485 119.950 0.290 0.000 2.146 282 F HA -0.140 4.386 4.527 -0.001 0.000 0.298 282 F C 2.196 178.018 175.800 0.038 0.000 1.096 282 F CA 1.190 59.324 58.000 0.223 0.000 1.275 282 F CB -0.573 38.611 39.000 0.306 0.000 1.008 282 F HN -0.096 nan 8.300 nan 0.000 0.480 283 S N 1.007 116.346 115.700 -0.601 0.000 2.368 283 S HA -0.156 4.314 4.470 -0.001 0.000 0.225 283 S C 2.393 176.800 174.600 -0.322 0.000 1.030 283 S CA 1.189 58.978 58.200 -0.685 0.000 0.999 283 S CB -1.029 61.811 63.200 -0.600 0.000 0.844 283 S HN 0.591 nan 8.310 nan 0.000 0.459 284 A N 1.201 123.936 122.820 -0.141 0.000 1.917 284 A HA -0.099 4.220 4.320 -0.001 0.000 0.219 284 A C 2.316 179.880 177.584 -0.034 0.000 1.182 284 A CA 1.817 53.830 52.037 -0.041 0.000 0.633 284 A CB -0.921 18.114 19.000 0.058 0.000 0.819 284 A HN 0.377 nan 8.150 nan 0.000 0.448 285 V N -0.460 119.443 119.914 -0.018 0.000 2.548 285 V HA -0.157 3.963 4.120 -0.001 0.000 0.249 285 V C 2.942 178.989 176.094 -0.077 0.000 1.055 285 V CA 1.675 63.964 62.300 -0.019 0.000 1.065 285 V CB -1.243 30.573 31.823 -0.011 0.000 0.681 285 V HN 0.607 nan 8.190 nan 0.000 0.462 286 A N 0.045 122.756 122.820 -0.182 0.000 1.930 286 A HA -0.250 4.070 4.320 -0.001 0.000 0.217 286 A C 2.214 179.735 177.584 -0.104 0.000 1.175 286 A CA 1.980 53.912 52.037 -0.176 0.000 0.627 286 A CB -0.451 18.348 19.000 -0.335 0.000 0.815 286 A HN 0.545 nan 8.150 nan 0.000 0.443 287 Q N 0.131 119.864 119.800 -0.113 0.000 1.993 287 Q HA -0.177 4.163 4.340 -0.001 0.000 0.202 287 Q C 2.241 178.206 176.000 -0.057 0.000 0.984 287 Q CA 2.248 57.998 55.803 -0.087 0.000 0.837 287 Q CB -0.397 28.289 28.738 -0.086 0.000 0.902 287 Q HN 0.583 nan 8.270 nan 0.000 0.423 288 R N -0.713 119.763 120.500 -0.040 0.000 2.103 288 R HA -0.150 4.190 4.340 -0.001 0.000 0.242 288 R C 1.810 178.104 176.300 -0.010 0.000 1.142 288 R CA 1.568 57.658 56.100 -0.016 0.000 0.960 288 R CB -0.234 30.067 30.300 0.002 0.000 0.858 288 R HN 0.338 nan 8.270 nan 0.000 0.439 289 L N -0.608 120.607 121.223 -0.012 0.000 2.395 289 L HA 0.146 4.486 4.340 -0.001 0.000 0.218 289 L C 1.384 178.250 176.870 -0.008 0.000 1.130 289 L CA 1.521 56.364 54.840 0.005 0.000 0.826 289 L CB -0.038 42.029 42.059 0.014 0.000 0.941 289 L HN 0.540 nan 8.230 nan 0.000 0.451 290 G N -1.566 107.216 108.800 -0.029 0.000 2.137 290 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.237 290 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.237 290 G C 0.883 175.760 174.900 -0.038 0.000 1.002 290 G CA 0.331 45.408 45.100 -0.039 0.000 0.702 290 G HN 0.146 nan 8.290 nan 0.000 0.515 291 V N -1.439 118.456 119.914 -0.032 0.000 2.446 291 V HA 0.262 4.382 4.120 -0.001 0.000 0.244 291 V C 0.784 176.910 176.094 0.054 0.000 1.039 291 V CA 1.984 64.270 62.300 -0.023 0.000 1.045 291 V CB -0.001 31.789 31.823 -0.055 0.000 0.681 291 V HN 0.654 nan 8.190 nan 0.000 0.459 292 Y N 1.000 121.236 120.300 -0.107 0.000 2.301 292 Y HA 0.437 4.986 4.550 -0.001 0.000 0.334 292 Y C 0.093 175.952 175.900 -0.069 0.000 1.158 292 Y CA -1.083 56.967 58.100 -0.083 0.000 1.266 292 Y CB 0.768 39.181 38.460 -0.077 0.000 1.153 292 Y HN 0.178 nan 8.280 nan 0.000 0.453 293 T N 0.260 114.588 114.554 -0.377 0.000 2.862 293 T HA 0.652 5.002 4.350 -0.001 0.000 0.276 293 T C 1.266 175.724 174.700 -0.403 0.000 0.974 293 T CA -0.175 61.748 62.100 -0.295 0.000 0.966 293 T CB 1.701 70.463 68.868 -0.176 0.000 1.072 293 T HN 0.682 nan 8.240 nan 0.000 0.538 294 A N 0.263 122.957 122.820 -0.210 0.000 2.067 294 A HA 0.018 4.338 4.320 -0.001 0.000 0.219 294 A C 2.249 179.788 177.584 -0.075 0.000 1.158 294 A CA 1.028 52.986 52.037 -0.132 0.000 0.661 294 A CB -0.789 18.160 19.000 -0.086 0.000 0.801 294 A HN 0.903 nan 8.150 nan 0.000 0.452 295 K N -0.021 120.320 120.400 -0.099 0.000 2.097 295 K HA -0.129 4.191 4.320 -0.001 0.000 0.206 295 K C 1.230 177.799 176.600 -0.050 0.000 1.049 295 K CA 1.316 57.574 56.287 -0.050 0.000 0.933 295 K CB -0.203 32.262 32.500 -0.059 0.000 0.717 295 K HN 0.370 nan 8.250 nan 0.000 0.442 296 D N 0.255 120.551 120.400 -0.172 0.000 2.182 296 D HA -0.194 4.446 4.640 -0.001 0.000 0.201 296 D C 1.696 177.967 176.300 -0.049 0.000 0.986 296 D CA 1.064 54.950 54.000 -0.191 0.000 0.847 296 D CB -0.213 40.318 40.800 -0.448 0.000 0.942 296 D HN 0.213 nan 8.370 nan 0.000 0.467 297 Y N 1.611 121.853 120.300 -0.098 0.000 2.128 297 Y HA -0.229 4.320 4.550 -0.001 0.000 0.284 297 Y C 2.331 178.365 175.900 0.223 0.000 1.154 297 Y CA 1.960 60.187 58.100 0.212 0.000 1.149 297 Y CB -0.288 38.305 38.460 0.222 0.000 0.976 297 Y HN -0.044 nan 8.280 nan 0.000 0.505 298 A N -0.078 122.943 122.820 0.335 0.000 1.873 298 A HA -0.176 4.144 4.320 -0.001 0.000 0.215 298 A C 1.825 179.481 177.584 0.121 0.000 1.186 298 A CA 1.961 54.134 52.037 0.227 0.000 0.616 298 A CB -1.005 18.092 19.000 0.161 0.000 0.823 298 A HN 0.553 nan 8.150 nan 0.000 0.442 299 D N -0.070 120.372 120.400 0.070 0.000 2.149 299 D HA -0.138 4.501 4.640 -0.001 0.000 0.198 299 D C 1.692 178.021 176.300 0.048 0.000 0.990 299 D CA 1.393 55.419 54.000 0.043 0.000 0.839 299 D CB -0.221 40.579 40.800 0.000 0.000 0.948 299 D HN 0.534 nan 8.370 nan 0.000 0.460 300 I N -0.192 120.368 120.570 -0.016 0.000 2.353 300 I HA -0.187 3.983 4.170 -0.001 0.000 0.248 300 I C 1.835 178.000 176.117 0.080 0.000 1.119 300 I CA 0.293 61.539 61.300 -0.089 0.000 1.417 300 I CB -0.013 37.682 38.000 -0.508 0.000 1.078 300 I HN 0.053 nan 8.210 nan 0.000 0.421 301 L N 0.766 122.080 121.223 0.152 0.000 1.994 301 L HA -0.229 4.110 4.340 -0.001 0.000 0.208 301 L C 2.511 179.506 176.870 0.208 0.000 1.071 301 L CA 1.863 56.857 54.840 0.258 0.000 0.745 301 L CB -0.847 41.337 42.059 0.207 0.000 0.892 301 L HN 0.231 nan 8.230 nan 0.000 0.431 302 E N -1.505 118.778 120.200 0.138 0.000 2.110 302 E HA -0.282 4.067 4.350 -0.001 0.000 0.193 302 E C 2.210 178.859 176.600 0.081 0.000 0.988 302 E CA 1.081 57.538 56.400 0.096 0.000 0.804 302 E CB -0.183 29.561 29.700 0.073 0.000 0.745 302 E HN 0.411 nan 8.360 nan 0.000 0.458 303 F N 0.964 120.890 119.950 -0.040 0.000 2.113 303 F HA -0.144 4.383 4.527 -0.000 0.000 0.297 303 F C 1.760 177.450 175.800 -0.182 0.000 1.103 303 F CA 1.279 59.217 58.000 -0.103 0.000 1.248 303 F CB -0.175 38.750 39.000 -0.125 0.000 0.999 303 F HN -0.031 nan 8.300 nan 0.000 0.475 304 L N -0.451 120.637 121.223 -0.225 0.000 2.083 304 L HA -0.202 4.138 4.340 -0.001 0.000 0.209 304 L C 2.389 179.064 176.870 -0.325 0.000 1.083 304 L CA 0.949 55.430 54.840 -0.599 0.000 0.752 304 L CB -0.896 40.934 42.059 -0.382 0.000 0.899 304 L HN 0.074 nan 8.230 nan 0.000 0.433 305 V N 0.262 120.234 119.914 0.098 0.000 2.295 305 V HA -0.202 3.918 4.120 -0.001 0.000 0.246 305 V C 2.596 178.677 176.094 -0.021 0.000 1.049 305 V CA 2.105 64.537 62.300 0.220 0.000 1.024 305 V CB -1.155 30.758 31.823 0.149 0.000 0.648 305 V HN 0.561 nan 8.190 nan 0.000 0.447 306 G N -0.772 107.940 108.800 -0.146 0.000 2.421 306 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.217 306 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.217 306 G C 1.738 176.446 174.900 -0.320 0.000 1.143 306 G CA 0.357 45.343 45.100 -0.191 0.000 0.784 306 G HN 0.268 nan 8.290 nan 0.000 0.541 307 R N -0.245 119.892 120.500 -0.605 0.000 2.090 307 R HA -0.025 4.315 4.340 -0.001 0.000 0.228 307 R C 1.753 177.802 176.300 -0.417 0.000 1.110 307 R CA 0.781 56.449 56.100 -0.720 0.000 0.973 307 R CB -0.339 29.169 30.300 -1.321 0.000 0.869 307 R HN 0.473 nan 8.270 nan 0.000 0.440 308 W N 1.347 122.438 121.300 -0.350 0.000 3.256 308 W HA 0.160 4.820 4.660 -0.000 0.000 0.269 308 W C 0.498 176.745 176.519 -0.454 0.000 1.310 308 W CA -0.241 56.828 57.345 -0.459 0.000 1.673 308 W CB 0.113 29.135 29.460 -0.730 0.000 1.115 308 W HN 0.064 nan 8.180 nan 0.000 0.686 309 K N -0.529 119.805 120.400 -0.110 0.000 3.160 309 K HA -0.206 4.113 4.320 -0.001 0.000 0.280 309 K C 1.043 177.600 176.600 -0.071 0.000 1.154 309 K CA 0.784 57.021 56.287 -0.083 0.000 0.822 309 K CB -2.090 30.373 32.500 -0.061 0.000 1.239 309 K HN 0.104 nan 8.250 nan 0.000 0.489 310 V N 1.506 121.374 119.914 -0.075 0.000 2.277 310 V HA -0.349 3.771 4.120 -0.001 0.000 0.253 310 V C 2.347 178.479 176.094 0.063 0.000 1.067 310 V CA 2.668 64.978 62.300 0.016 0.000 1.047 310 V CB -0.433 31.492 31.823 0.170 0.000 0.649 310 V HN 0.509 nan 8.190 nan 0.000 0.447 311 D N -0.280 120.144 120.400 0.040 0.000 2.263 311 D HA -0.185 4.454 4.640 -0.001 0.000 0.208 311 D C 1.685 178.004 176.300 0.032 0.000 0.971 311 D CA 0.947 54.968 54.000 0.035 0.000 0.867 311 D CB -0.378 40.434 40.800 0.019 0.000 0.929 311 D HN 0.337 nan 8.370 nan 0.000 0.492 312 K N -0.049 120.365 120.400 0.024 0.000 2.404 312 K HA 0.208 4.527 4.320 -0.001 0.000 0.194 312 K C 0.821 177.443 176.600 0.037 0.000 1.023 312 K CA -0.314 55.987 56.287 0.023 0.000 1.094 312 K CB 0.453 32.959 32.500 0.009 0.000 0.841 312 K HN 0.297 nan 8.250 nan 0.000 0.523 313 L N 2.345 123.603 121.223 0.058 0.000 2.485 313 L HA 0.016 4.355 4.340 -0.001 0.000 0.275 313 L C 0.577 177.485 176.870 0.064 0.000 1.207 313 L CA 0.414 55.302 54.840 0.079 0.000 0.855 313 L CB 0.471 42.612 42.059 0.136 0.000 1.114 313 L HN 0.155 nan 8.230 nan 0.000 0.485 314 T N -1.565 113.023 114.554 0.057 0.000 2.900 314 T HA 0.633 4.983 4.350 -0.001 0.000 0.295 314 T C 0.270 174.994 174.700 0.041 0.000 1.044 314 T CA -0.137 61.989 62.100 0.043 0.000 0.995 314 T CB 1.940 70.827 68.868 0.032 0.000 1.072 314 T HN 0.940 nan 8.240 nan 0.000 0.473 315 G N 1.438 110.258 108.800 0.032 0.000 2.203 315 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.231 315 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.231 315 G C -0.372 174.544 174.900 0.026 0.000 1.058 315 G CA -0.231 44.884 45.100 0.025 0.000 0.781 315 G HN 0.897 nan 8.290 nan 0.000 0.496 316 L N 1.197 122.438 121.223 0.030 0.000 2.322 316 L HA 0.663 5.003 4.340 -0.001 0.000 0.279 316 L C 1.442 178.322 176.870 0.017 0.000 1.036 316 L CA -0.465 54.392 54.840 0.029 0.000 0.807 316 L CB 1.663 43.749 42.059 0.046 0.000 1.226 316 L HN 0.454 nan 8.230 nan 0.000 0.433 317 S N 1.572 117.277 115.700 0.007 0.000 2.617 317 S HA 0.201 4.670 4.470 -0.001 0.000 0.255 317 S C 1.319 175.920 174.600 0.002 0.000 1.318 317 S CA 0.022 58.221 58.200 -0.000 0.000 0.978 317 S CB 0.985 64.179 63.200 -0.010 0.000 0.961 317 S HN 0.717 nan 8.310 nan 0.000 0.582 318 A N 0.097 122.915 122.820 -0.003 0.000 1.917 318 A HA -0.163 4.156 4.320 -0.001 0.000 0.219 318 A C 2.216 179.797 177.584 -0.005 0.000 1.182 318 A CA 1.977 54.012 52.037 -0.003 0.000 0.633 318 A CB -1.243 17.752 19.000 -0.008 0.000 0.819 318 A HN 0.984 nan 8.150 nan 0.000 0.448 319 E N -0.926 119.267 120.200 -0.011 0.000 2.046 319 E HA -0.054 4.296 4.350 -0.001 0.000 0.190 319 E C 2.122 178.720 176.600 -0.004 0.000 0.982 319 E CA 0.768 57.157 56.400 -0.017 0.000 0.800 319 E CB -0.396 29.286 29.700 -0.029 0.000 0.756 319 E HN 0.505 nan 8.360 nan 0.000 0.449 320 G N 0.549 109.351 108.800 0.002 0.000 2.448 320 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.219 320 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.219 320 G C 1.458 176.383 174.900 0.042 0.000 1.127 320 G CA 0.730 45.843 45.100 0.022 0.000 0.766 320 G HN 0.269 nan 8.290 nan 0.000 0.552 321 Q N -0.241 119.578 119.800 0.032 0.000 2.123 321 Q HA 0.020 4.359 4.340 -0.001 0.000 0.199 321 Q C 2.527 178.553 176.000 0.044 0.000 0.966 321 Q CA 1.048 56.875 55.803 0.039 0.000 0.845 321 Q CB 0.005 28.759 28.738 0.027 0.000 0.907 321 Q HN 0.425 nan 8.270 nan 0.000 0.439 322 K N -0.249 120.170 120.400 0.031 0.000 2.057 322 K HA -0.084 4.235 4.320 -0.001 0.000 0.206 322 K C 2.033 178.674 176.600 0.067 0.000 1.050 322 K CA 1.062 57.369 56.287 0.033 0.000 0.935 322 K CB -0.137 32.362 32.500 -0.003 0.000 0.715 322 K HN 0.150 nan 8.250 nan 0.000 0.439 323 A N 1.600 124.456 122.820 0.060 0.000 1.865 323 A HA -0.287 4.032 4.320 -0.001 0.000 0.217 323 A C 2.211 179.884 177.584 0.149 0.000 1.191 323 A CA 1.775 53.878 52.037 0.109 0.000 0.623 323 A CB -0.740 18.305 19.000 0.076 0.000 0.826 323 A HN 0.402 nan 8.150 nan 0.000 0.444 324 Q N -0.549 119.320 119.800 0.115 0.000 2.077 324 Q HA -0.315 4.025 4.340 -0.001 0.000 0.206 324 Q C 1.779 177.826 176.000 0.079 0.000 0.989 324 Q CA 2.414 58.283 55.803 0.110 0.000 0.853 324 Q CB -0.317 28.486 28.738 0.109 0.000 0.907 324 Q HN 0.680 nan 8.270 nan 0.000 0.418 325 D N -1.058 119.392 120.400 0.083 0.000 2.144 325 D HA -0.195 4.445 4.640 -0.001 0.000 0.200 325 D C 1.780 178.127 176.300 0.078 0.000 0.978 325 D CA 1.189 55.230 54.000 0.068 0.000 0.833 325 D CB -0.286 40.553 40.800 0.066 0.000 0.961 325 D HN 0.436 nan 8.370 nan 0.000 0.470 326 Y N 0.531 120.821 120.300 -0.018 0.000 2.128 326 Y HA -0.183 4.367 4.550 -0.000 0.000 0.284 326 Y C 2.029 177.896 175.900 -0.055 0.000 1.154 326 Y CA 1.378 59.461 58.100 -0.029 0.000 1.149 326 Y CB -0.637 37.804 38.460 -0.030 0.000 0.976 326 Y HN -0.083 nan 8.280 nan 0.000 0.505 327 V N -0.806 118.995 119.914 -0.188 0.000 2.343 327 V HA -0.357 3.763 4.120 -0.001 0.000 0.247 327 V C 2.586 178.524 176.094 -0.261 0.000 1.051 327 V CA 1.969 64.045 62.300 -0.374 0.000 1.036 327 V CB -1.029 30.582 31.823 -0.353 0.000 0.654 327 V HN 0.655 nan 8.190 nan 0.000 0.451 328 C N -0.660 118.568 119.300 -0.120 0.000 2.450 328 C HA -0.049 4.410 4.460 -0.001 0.000 0.279 328 C C 2.767 177.718 174.990 -0.066 0.000 1.335 328 C CA 0.544 59.525 59.018 -0.062 0.000 1.749 328 C CB -1.152 26.581 27.740 -0.011 0.000 1.963 328 C HN 0.470 nan 8.230 nan 0.000 0.501 329 R N -0.232 120.219 120.500 -0.082 0.000 2.210 329 R HA 0.066 4.406 4.340 -0.001 0.000 0.203 329 R C 1.973 178.216 176.300 -0.095 0.000 1.010 329 R CA 0.361 56.424 56.100 -0.062 0.000 1.008 329 R CB -0.337 29.948 30.300 -0.025 0.000 0.923 329 R HN 0.380 nan 8.270 nan 0.000 0.469 330 L N 1.706 122.810 121.223 -0.198 0.000 1.989 330 L HA -0.102 4.238 4.340 -0.001 0.000 0.211 330 L C -0.996 175.830 176.870 -0.073 0.000 1.071 330 L CA 2.067 56.788 54.840 -0.199 0.000 0.749 330 L CB -1.034 40.789 42.059 -0.394 0.000 0.890 330 L HN -0.008 nan 8.230 nan 0.000 0.431 331 P HA -0.179 nan 4.420 nan 0.000 0.216 331 P C -1.337 175.976 177.300 0.022 0.000 1.167 331 P CA 2.417 65.529 63.100 0.020 0.000 0.914 331 P CB -1.125 30.589 31.700 0.024 0.000 0.793 332 P HA -0.090 nan 4.420 nan 0.000 0.218 332 P C 1.479 178.784 177.300 0.009 0.000 1.149 332 P CA 1.466 64.571 63.100 0.009 0.000 0.817 332 P CB -0.333 31.369 31.700 0.003 0.000 0.785 333 R N -0.470 120.031 120.500 0.001 0.000 2.070 333 R HA -0.069 4.270 4.340 -0.001 0.000 0.233 333 R C 2.344 178.651 176.300 0.013 0.000 1.137 333 R CA 1.327 57.430 56.100 0.004 0.000 0.945 333 R CB -1.276 29.023 30.300 -0.003 0.000 0.845 333 R HN 0.262 nan 8.270 nan 0.000 0.430 334 I N 0.432 121.016 120.570 0.023 0.000 2.163 334 I HA -0.295 3.874 4.170 -0.001 0.000 0.243 334 I C 2.716 178.853 176.117 0.034 0.000 1.085 334 I CA 1.184 62.507 61.300 0.039 0.000 1.347 334 I CB -0.281 37.777 38.000 0.096 0.000 1.044 334 I HN 0.096 nan 8.210 nan 0.000 0.408 335 R N 1.344 121.866 120.500 0.037 0.000 2.122 335 R HA -0.202 4.138 4.340 -0.001 0.000 0.236 335 R C 2.389 178.696 176.300 0.012 0.000 1.129 335 R CA 1.923 58.038 56.100 0.026 0.000 0.925 335 R CB -0.394 29.921 30.300 0.024 0.000 0.850 335 R HN 0.191 nan 8.270 nan 0.000 0.431 336 R N -0.201 120.304 120.500 0.010 0.000 2.117 336 R HA -0.167 4.173 4.340 -0.001 0.000 0.243 336 R C 2.366 178.667 176.300 0.002 0.000 1.143 336 R CA 1.674 57.777 56.100 0.005 0.000 0.968 336 R CB -0.560 29.744 30.300 0.006 0.000 0.863 336 R HN 0.268 nan 8.270 nan 0.000 0.444 337 L N 0.912 122.137 121.223 0.003 0.000 2.007 337 L HA -0.129 4.210 4.340 -0.001 0.000 0.205 337 L C 1.512 178.377 176.870 -0.008 0.000 1.073 337 L CA 1.756 56.595 54.840 -0.002 0.000 0.744 337 L CB -0.010 42.048 42.059 -0.001 0.000 0.898 337 L HN 0.086 nan 8.230 nan 0.000 0.435 338 E N -0.815 119.379 120.200 -0.011 0.000 2.479 338 E HA -0.120 4.229 4.350 -0.001 0.000 0.193 338 E C 1.482 178.070 176.600 -0.021 0.000 1.049 338 E CA 0.466 56.853 56.400 -0.021 0.000 0.870 338 E CB 0.263 29.942 29.700 -0.035 0.000 0.944 338 E HN 0.683 nan 8.360 nan 0.000 0.492 339 E N 0.920 121.112 120.200 -0.013 0.000 2.358 339 E HA -0.075 4.275 4.350 -0.001 0.000 0.195 339 E C 0.530 177.120 176.600 -0.016 0.000 1.010 339 E CA 0.389 56.780 56.400 -0.015 0.000 0.856 339 E CB 0.205 29.900 29.700 -0.009 0.000 0.795 339 E HN -0.040 nan 8.360 nan 0.000 0.504 340 R N 0.247 120.739 120.500 -0.013 0.000 2.585 340 R HA 0.404 4.744 4.340 -0.001 0.000 0.278 340 R C 0.067 176.360 176.300 -0.012 0.000 1.663 340 R CA 0.182 56.275 56.100 -0.012 0.000 1.592 340 R CB 1.544 31.840 30.300 -0.008 0.000 1.200 340 R HN 0.124 nan 8.270 nan 0.000 0.611 341 A N 1.259 124.070 122.820 -0.015 0.000 1.872 341 A HA -0.158 4.162 4.320 -0.001 0.000 0.214 341 A C 1.203 178.782 177.584 -0.008 0.000 1.187 341 A CA 1.258 53.286 52.037 -0.014 0.000 0.614 341 A CB -0.071 18.918 19.000 -0.019 0.000 0.826 341 A HN 0.806 nan 8.150 nan 0.000 0.442 342 Q N -3.429 116.366 119.800 -0.007 0.000 2.204 342 Q HA -0.261 4.079 4.340 -0.001 0.000 0.158 342 Q C 1.240 177.239 176.000 -0.001 0.000 0.604 342 Q CA 1.175 56.976 55.803 -0.003 0.000 1.414 342 Q CB -1.955 26.781 28.738 -0.002 0.000 1.448 342 Q HN 0.745 nan 8.270 nan 0.000 0.905 343 G N -0.615 108.184 108.800 -0.001 0.000 2.576 343 G HA2 -0.019 3.941 3.960 -0.001 0.000 0.210 343 G HA3 -0.019 3.941 3.960 -0.001 0.000 0.210 343 G C 1.096 176.000 174.900 0.007 0.000 1.143 343 G CA -0.113 44.989 45.100 0.004 0.000 0.819 343 G HN -0.014 nan 8.290 nan 0.000 0.534 344 R N 0.393 120.895 120.500 0.004 0.000 2.696 344 R HA 0.556 4.896 4.340 -0.001 0.000 0.355 344 R C 0.754 177.057 176.300 0.006 0.000 1.138 344 R CA 0.468 56.574 56.100 0.010 0.000 1.059 344 R CB 0.841 31.145 30.300 0.007 0.000 1.380 344 R HN 0.340 nan 8.270 nan 0.000 0.578 345 A N -0.634 122.188 122.820 0.004 0.000 1.853 345 A HA 0.119 4.438 4.320 -0.001 0.000 0.204 345 A C 1.720 179.309 177.584 0.007 0.000 1.724 345 A CA 0.096 52.134 52.037 0.002 0.000 1.105 345 A CB 0.379 19.374 19.000 -0.008 0.000 1.101 345 A HN 0.128 nan 8.150 nan 0.000 0.495 346 K N 0.110 120.514 120.400 0.006 0.000 2.216 346 K HA 0.190 4.510 4.320 -0.001 0.000 0.207 346 K C 0.619 177.225 176.600 0.011 0.000 1.041 346 K CA 0.564 56.856 56.287 0.008 0.000 0.966 346 K CB 0.185 32.688 32.500 0.005 0.000 0.955 346 K HN 0.248 nan 8.250 nan 0.000 0.468 347 E N 1.193 121.398 120.200 0.010 0.000 2.110 347 E HA 0.199 4.549 4.350 -0.001 0.000 0.300 347 E C -1.568 175.040 176.600 0.014 0.000 1.278 347 E CA -0.498 55.908 56.400 0.011 0.000 1.365 347 E CB 0.586 30.291 29.700 0.008 0.000 1.283 347 E HN 0.342 nan 8.360 nan 0.000 0.490 348 A N 3.250 126.081 122.820 0.018 0.000 2.342 348 A HA 0.604 4.923 4.320 -0.001 0.000 0.323 348 A C -2.341 175.257 177.584 0.023 0.000 1.125 348 A CA -1.372 50.679 52.037 0.024 0.000 0.785 348 A CB 0.908 19.927 19.000 0.031 0.000 1.221 348 A HN 0.292 nan 8.150 nan 0.000 0.463 349 P HA 0.344 nan 4.420 nan 0.000 0.277 349 P C -0.200 177.109 177.300 0.014 0.000 1.271 349 P CA -0.026 63.080 63.100 0.010 0.000 0.795 349 P CB 0.662 32.360 31.700 -0.003 0.000 1.101 350 T N 0.684 115.242 114.554 0.008 0.000 2.928 350 T HA 0.594 4.944 4.350 -0.001 0.000 0.284 350 T C 0.005 174.695 174.700 -0.018 0.000 1.008 350 T CA -0.224 61.887 62.100 0.020 0.000 1.057 350 T CB 0.199 69.082 68.868 0.026 0.000 1.018 350 T HN 0.499 nan 8.240 nan 0.000 0.493 351 M N 4.414 124.012 119.600 -0.003 0.000 2.413 351 M HA 0.497 4.977 4.480 -0.001 0.000 0.287 351 M C -2.889 173.375 176.300 -0.059 0.000 1.186 351 M CA -1.880 53.347 55.300 -0.122 0.000 0.927 351 M CB 2.721 35.128 32.600 -0.323 0.000 1.715 351 M HN 0.238 nan 8.290 nan 0.000 0.478 352 P HA 0.347 nan 4.420 nan 0.000 0.284 352 P C -1.603 175.581 177.300 -0.192 0.000 1.253 352 P CA 0.015 63.090 63.100 -0.041 0.000 0.800 352 P CB 0.513 32.180 31.700 -0.055 0.000 0.961 353 F N 0.737 120.631 119.950 -0.094 0.000 2.507 353 F HA 0.174 4.700 4.527 -0.000 0.000 0.325 353 F C 1.931 177.650 175.800 -0.135 0.000 1.116 353 F CA -0.209 57.678 58.000 -0.187 0.000 0.930 353 F CB 1.738 40.635 39.000 -0.172 0.000 1.146 353 F HN 0.280 nan 8.300 nan 0.000 0.447 354 S N 2.003 117.666 115.700 -0.062 0.000 2.419 354 S HA -0.169 4.301 4.470 -0.001 0.000 0.233 354 S C 1.586 176.228 174.600 0.071 0.000 1.016 354 S CA 0.601 58.793 58.200 -0.013 0.000 0.974 354 S CB -0.370 62.801 63.200 -0.048 0.000 0.786 354 S HN 0.701 nan 8.310 nan 0.000 0.492 355 W N 2.780 124.091 121.300 0.019 0.000 2.364 355 W HA 0.153 4.813 4.660 -0.001 0.000 0.281 355 W C 1.655 178.052 176.519 -0.205 0.000 1.219 355 W CA 0.174 57.477 57.345 -0.070 0.000 1.220 355 W CB -0.781 28.690 29.460 0.019 0.000 1.127 355 W HN 0.525 nan 8.180 nan 0.000 0.556 356 I N -4.930 115.700 120.570 0.100 0.000 3.399 356 I HA 0.287 4.457 4.170 -0.001 0.000 0.345 356 I C -0.366 175.811 176.117 0.100 0.000 1.512 356 I CA -0.800 60.506 61.300 0.010 0.000 1.047 356 I CB -1.049 37.036 38.000 0.142 0.000 1.552 356 I HN -0.261 nan 8.210 nan 0.000 0.494 357 F N 0.972 120.982 119.950 0.100 0.000 3.091 357 F HA -0.270 4.256 4.527 -0.001 0.000 0.288 357 F C 0.631 176.462 175.800 0.052 0.000 0.907 357 F CA 1.184 59.220 58.000 0.059 0.000 1.028 357 F CB -2.435 36.582 39.000 0.029 0.000 1.022 357 F HN 0.593 nan 8.300 nan 0.000 0.665 358 D N -1.352 119.145 120.400 0.162 0.000 3.012 358 D HA -0.230 4.409 4.640 -0.001 0.000 0.222 358 D C 0.768 177.140 176.300 0.120 0.000 1.167 358 D CA 1.129 55.194 54.000 0.108 0.000 0.854 358 D CB -0.535 40.307 40.800 0.071 0.000 1.107 358 D HN 0.558 nan 8.370 nan 0.000 0.421 359 R N 0.159 120.757 120.500 0.164 0.000 2.679 359 R HA 0.317 4.657 4.340 -0.001 0.000 0.269 359 R C 0.822 177.214 176.300 0.154 0.000 1.076 359 R CA 0.074 56.260 56.100 0.142 0.000 1.160 359 R CB 0.661 31.052 30.300 0.152 0.000 1.054 359 R HN 0.179 nan 8.270 nan 0.000 0.507 360 Q N 1.020 120.893 119.800 0.123 0.000 2.274 360 Q HA 0.469 4.808 4.340 -0.001 0.000 0.260 360 Q C -0.651 175.434 176.000 0.142 0.000 0.974 360 Q CA -0.839 55.044 55.803 0.134 0.000 0.876 360 Q CB 2.308 31.090 28.738 0.072 0.000 1.297 360 Q HN 0.423 nan 8.270 nan 0.000 0.446 361 V N -1.646 118.382 119.914 0.190 0.000 3.040 361 V HA 0.554 4.673 4.120 -0.001 0.000 0.312 361 V C -0.679 175.502 176.094 0.145 0.000 1.115 361 V CA -1.281 61.108 62.300 0.148 0.000 0.998 361 V CB 1.903 33.794 31.823 0.114 0.000 1.042 361 V HN 0.672 nan 8.190 nan 0.000 0.433 362 K N 1.456 121.916 120.400 0.100 0.000 2.350 362 K HA 0.426 4.746 4.320 -0.001 0.000 0.279 362 K C -0.678 175.982 176.600 0.100 0.000 1.027 362 K CA -0.430 55.906 56.287 0.081 0.000 0.969 362 K CB 0.834 33.368 32.500 0.058 0.000 0.954 362 K HN 0.615 nan 8.250 nan 0.000 0.474 363 L N 0.000 121.278 121.223 0.091 0.000 2.949 363 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 363 L CA 0.000 54.904 54.840 0.106 0.000 0.813 363 L CB 0.000 42.120 42.059 0.101 0.000 0.961 363 L HN 0.000 nan 8.230 nan 0.000 0.502