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 3l2k_1_A DATA FIRST_RESID 3 DATA SEQUENCE DYSLEIDAVM KAAQINDTNN FVQALMRWHF SKETGSPFWL GMREQLNFDP DATA SEQUENCE IKDVKTINDL RQFSDISHCL RQEPVANLVP QGLPADSHPQ VYESGGTTGA DATA SEQUENCE PKYVVAYDAW IEALISWRMS GYQHRPGRPS GNTLAAIPTG PHIVGAINKE DATA SEQUENCE RALRLGGMFF SIDIDPRWVK RSLSEGDTAT VRKYTHHLVD QVQNTLMNQD DATA SEQUENCE IRFLVTTPPV LRELLKRPEV VLQMKQSLAQ ITLGGTELNL DEIKFIASEI DATA SEQUENCE LPDCEFSASY GSTSALGVSR SLLITSESQQ VIYDSFSPFI TYDVVDSITA DATA SEQUENCE QTVEYGERGN VIVTHLSPWA FYPRVAERDT AIRLPGVSGF AGDRLADIEP DATA SEQUENCE LK 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 175.983 176.300 -0.529 0.000 2.045 3 D CA 0.000 53.870 54.000 -0.216 0.000 0.868 3 D CB 0.000 40.715 40.800 -0.142 0.000 0.688 4 Y N 0.892 121.231 120.300 0.065 0.000 2.791 4 Y HA 0.056 4.606 4.550 -0.000 0.000 0.263 4 Y C 2.128 178.071 175.900 0.072 0.000 1.089 4 Y CA 0.443 58.608 58.100 0.109 0.000 1.253 4 Y CB 0.486 39.094 38.460 0.247 0.000 1.360 4 Y HN 0.418 nan 8.280 nan 0.000 0.569 5 S N -0.145 115.638 115.700 0.138 0.000 2.420 5 S HA -0.187 4.283 4.470 -0.000 0.000 0.237 5 S C 1.554 176.172 174.600 0.030 0.000 1.023 5 S CA 1.456 59.693 58.200 0.062 0.000 0.991 5 S CB -0.448 62.780 63.200 0.047 0.000 0.792 5 S HN 0.526 nan 8.310 nan 0.000 0.488 6 L N 0.320 121.569 121.223 0.043 0.000 2.375 6 L HA 0.211 4.551 4.340 -0.000 0.000 0.215 6 L C 2.787 179.678 176.870 0.034 0.000 1.108 6 L CA 0.860 55.716 54.840 0.027 0.000 0.830 6 L CB -0.404 41.667 42.059 0.020 0.000 0.959 6 L HN 0.313 nan 8.230 nan 0.000 0.457 7 E N 1.038 121.295 120.200 0.095 0.000 2.017 7 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 7 E C 2.135 178.676 176.600 -0.099 0.000 0.997 7 E CA 1.535 57.979 56.400 0.074 0.000 0.804 7 E CB -0.037 29.817 29.700 0.258 0.000 0.757 7 E HN 0.268 nan 8.360 nan 0.000 0.448 8 I N 1.813 122.250 120.570 -0.222 0.000 2.143 8 I HA -0.380 3.790 4.170 -0.000 0.000 0.245 8 I C 1.910 177.889 176.117 -0.230 0.000 1.068 8 I CA 1.695 62.734 61.300 -0.434 0.000 1.326 8 I CB -0.454 37.289 38.000 -0.427 0.000 1.028 8 I HN 0.174 nan 8.210 nan 0.000 0.412 9 D N 0.754 121.095 120.400 -0.098 0.000 2.116 9 D HA -0.248 4.392 4.640 -0.000 0.000 0.193 9 D C 2.316 178.605 176.300 -0.018 0.000 0.998 9 D CA 1.832 55.816 54.000 -0.025 0.000 0.836 9 D CB -0.504 40.298 40.800 0.002 0.000 0.951 9 D HN 0.446 nan 8.370 nan 0.000 0.449 10 A N 0.752 123.549 122.820 -0.040 0.000 1.917 10 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 10 A C 2.606 180.173 177.584 -0.028 0.000 1.182 10 A CA 1.692 53.712 52.037 -0.028 0.000 0.633 10 A CB -0.843 18.136 19.000 -0.035 0.000 0.819 10 A HN 0.176 nan 8.150 nan 0.000 0.448 11 V N -0.089 119.774 119.914 -0.085 0.000 2.237 11 V HA -0.295 3.825 4.120 -0.000 0.000 0.245 11 V C 2.680 178.872 176.094 0.164 0.000 1.046 11 V CA 2.092 64.358 62.300 -0.057 0.000 1.007 11 V CB -0.675 30.981 31.823 -0.278 0.000 0.638 11 V HN 0.527 nan 8.190 nan 0.000 0.445 12 M N -0.194 119.512 119.600 0.176 0.000 2.106 12 M HA -0.226 4.254 4.480 -0.000 0.000 0.259 12 M C 2.053 178.474 176.300 0.201 0.000 1.068 12 M CA 1.686 57.163 55.300 0.296 0.000 1.100 12 M CB -1.432 31.310 32.600 0.236 0.000 1.351 12 M HN 0.316 nan 8.290 nan 0.000 0.404 13 K N 0.085 120.553 120.400 0.114 0.000 1.978 13 K HA -0.140 4.180 4.320 -0.000 0.000 0.214 13 K C 2.047 178.682 176.600 0.059 0.000 1.049 13 K CA 1.859 58.192 56.287 0.076 0.000 0.939 13 K CB -0.211 32.315 32.500 0.044 0.000 0.721 13 K HN 0.279 nan 8.250 nan 0.000 0.441 14 A N 1.050 123.907 122.820 0.062 0.000 1.917 14 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 14 A C 2.303 179.874 177.584 -0.022 0.000 1.182 14 A CA 2.256 54.320 52.037 0.045 0.000 0.633 14 A CB -0.994 18.068 19.000 0.104 0.000 0.819 14 A HN 0.535 nan 8.150 nan 0.000 0.448 15 A N -0.420 122.409 122.820 0.014 0.000 1.997 15 A HA -0.257 4.063 4.320 -0.000 0.000 0.221 15 A C 2.137 179.577 177.584 -0.239 0.000 1.172 15 A CA 2.231 54.068 52.037 -0.333 0.000 0.645 15 A CB -0.375 18.558 19.000 -0.112 0.000 0.813 15 A HN 0.780 nan 8.150 nan 0.000 0.454 16 Q N -0.389 119.380 119.800 -0.052 0.000 2.431 16 Q HA 0.117 4.457 4.340 -0.000 0.000 0.244 16 Q C 1.395 177.383 176.000 -0.020 0.000 0.880 16 Q CA 0.693 56.486 55.803 -0.015 0.000 0.954 16 Q CB -1.008 27.780 28.738 0.084 0.000 1.105 16 Q HN 0.936 nan 8.270 nan 0.000 0.558 17 I N 1.181 121.735 120.570 -0.026 0.000 3.056 17 I HA 0.015 4.185 4.170 -0.000 0.000 0.297 17 I C -0.366 175.657 176.117 -0.158 0.000 0.926 17 I CA 0.263 61.532 61.300 -0.051 0.000 2.458 17 I CB -1.555 36.427 38.000 -0.030 0.000 1.527 17 I HN 0.204 nan 8.210 nan 0.000 1.090 18 N N 4.000 122.597 118.700 -0.172 0.000 2.780 18 N HA -0.210 4.530 4.740 -0.000 0.000 0.296 18 N C -0.927 174.134 175.510 -0.748 0.000 1.074 18 N CA 1.252 54.125 53.050 -0.294 0.000 0.806 18 N CB -0.400 38.100 38.487 0.023 0.000 0.966 18 N HN 0.887 nan 8.380 nan 0.000 0.585 19 D N 0.177 120.241 120.400 -0.561 0.000 2.826 19 D HA 0.036 4.676 4.640 -0.000 0.000 0.239 19 D C 1.003 177.129 176.300 -0.290 0.000 1.329 19 D CA 0.131 53.784 54.000 -0.579 0.000 0.854 19 D CB 0.007 40.515 40.800 -0.488 0.000 1.494 19 D HN 0.314 nan 8.370 nan 0.000 0.540 20 T N 2.387 116.774 114.554 -0.279 0.000 1.967 20 T HA -0.511 3.839 4.350 -0.000 0.000 0.153 20 T C 1.510 176.196 174.700 -0.024 0.000 1.769 20 T CA 2.891 64.916 62.100 -0.125 0.000 0.890 20 T CB -1.299 67.534 68.868 -0.057 0.000 0.771 20 T HN 0.308 nan 8.240 nan 0.000 0.429 21 N N 2.049 120.716 118.700 -0.054 0.000 2.096 21 N HA -0.193 4.547 4.740 -0.000 0.000 0.198 21 N C 1.810 177.310 175.510 -0.018 0.000 1.017 21 N CA 2.501 55.533 53.050 -0.029 0.000 0.889 21 N CB -0.880 37.580 38.487 -0.046 0.000 1.081 21 N HN 0.794 nan 8.380 nan 0.000 0.549 22 N N -0.742 117.939 118.700 -0.031 0.000 2.142 22 N HA -0.115 4.625 4.740 -0.000 0.000 0.186 22 N C 1.647 177.149 175.510 -0.014 0.000 1.023 22 N CA 0.999 54.033 53.050 -0.027 0.000 0.852 22 N CB -0.418 38.046 38.487 -0.038 0.000 0.998 22 N HN 0.326 nan 8.380 nan 0.000 0.424 23 F N 0.707 120.559 119.950 -0.163 0.000 2.069 23 F HA -0.203 4.324 4.527 0.000 0.000 0.298 23 F C 2.087 177.777 175.800 -0.183 0.000 1.113 23 F CA 1.498 59.381 58.000 -0.194 0.000 1.214 23 F CB -0.652 38.192 39.000 -0.261 0.000 0.978 23 F HN -0.088 nan 8.300 nan 0.000 0.474 24 V N 0.688 120.603 119.914 0.001 0.000 2.252 24 V HA -0.398 3.722 4.120 -0.000 0.000 0.249 24 V C 2.343 178.323 176.094 -0.190 0.000 1.056 24 V CA 2.515 64.740 62.300 -0.124 0.000 1.022 24 V CB -1.002 30.817 31.823 -0.006 0.000 0.641 24 V HN 0.472 nan 8.190 nan 0.000 0.445 25 Q N -0.390 119.340 119.800 -0.117 0.000 1.990 25 Q HA -0.153 4.187 4.340 -0.000 0.000 0.200 25 Q C 2.481 178.407 176.000 -0.123 0.000 0.980 25 Q CA 1.672 57.417 55.803 -0.097 0.000 0.832 25 Q CB -0.585 28.118 28.738 -0.059 0.000 0.897 25 Q HN 0.632 nan 8.270 nan 0.000 0.427 26 A N 0.989 123.725 122.820 -0.140 0.000 1.969 26 A HA -0.265 4.055 4.320 -0.000 0.000 0.223 26 A C 2.027 179.507 177.584 -0.172 0.000 1.218 26 A CA 1.887 53.831 52.037 -0.155 0.000 0.667 26 A CB -0.903 17.985 19.000 -0.186 0.000 0.826 26 A HN 0.362 nan 8.150 nan 0.000 0.472 27 L N -2.901 118.141 121.223 -0.302 0.000 2.249 27 L HA -0.006 4.334 4.340 -0.000 0.000 0.207 27 L C 2.597 179.410 176.870 -0.095 0.000 1.090 27 L CA 0.829 55.531 54.840 -0.231 0.000 0.802 27 L CB -0.280 41.462 42.059 -0.528 0.000 0.947 27 L HN 0.365 nan 8.230 nan 0.000 0.453 28 M N 0.118 119.607 119.600 -0.184 0.000 2.195 28 M HA -0.222 4.258 4.480 -0.000 0.000 0.260 28 M C 2.258 178.607 176.300 0.082 0.000 1.066 28 M CA 1.877 57.132 55.300 -0.074 0.000 1.089 28 M CB -0.370 32.184 32.600 -0.078 0.000 1.377 28 M HN 0.037 nan 8.290 nan 0.000 0.411 29 R N -1.883 118.631 120.500 0.023 0.000 2.075 29 R HA -0.154 4.186 4.340 -0.000 0.000 0.226 29 R C 2.279 178.589 176.300 0.017 0.000 1.114 29 R CA 1.495 57.611 56.100 0.026 0.000 0.972 29 R CB -0.724 29.575 30.300 -0.003 0.000 0.869 29 R HN 0.601 nan 8.270 nan 0.000 0.437 30 W N 1.594 122.782 121.300 -0.186 0.000 2.355 30 W HA -0.189 4.471 4.660 0.000 0.000 0.309 30 W C 1.421 177.711 176.519 -0.381 0.000 1.206 30 W CA 1.477 58.633 57.345 -0.315 0.000 1.284 30 W CB -0.233 29.002 29.460 -0.374 0.000 1.145 30 W HN 0.243 nan 8.180 nan 0.000 0.502 31 H N -1.431 117.522 119.070 -0.194 0.000 2.470 31 H HA -0.042 4.514 4.556 -0.000 0.000 0.289 31 H C 1.672 176.677 175.328 -0.537 0.000 1.033 31 H CA 1.602 57.389 56.048 -0.434 0.000 1.331 31 H CB -0.411 28.994 29.762 -0.595 0.000 1.414 31 H HN 0.161 nan 8.280 nan 0.000 0.545 32 F N 0.196 120.088 119.950 -0.097 0.000 2.694 32 F HA 0.141 4.668 4.527 -0.000 0.000 0.292 32 F C 1.208 176.941 175.800 -0.112 0.000 1.121 32 F CA -0.018 57.939 58.000 -0.071 0.000 1.352 32 F CB 0.544 39.513 39.000 -0.051 0.000 1.107 32 F HN -0.269 nan 8.300 nan 0.000 0.597 33 S N 2.952 118.644 115.700 -0.013 0.000 2.503 33 S HA 0.040 4.510 4.470 -0.000 0.000 0.317 33 S C 0.960 175.454 174.600 -0.177 0.000 1.162 33 S CA -0.425 57.724 58.200 -0.085 0.000 1.124 33 S CB -0.390 62.758 63.200 -0.086 0.000 1.207 33 S HN 0.380 nan 8.310 nan 0.000 0.538 34 K N 2.401 122.733 120.400 -0.114 0.000 4.168 34 K HA -0.428 3.892 4.320 -0.000 0.000 0.344 34 K C 1.083 177.587 176.600 -0.161 0.000 0.700 34 K CA 2.326 58.547 56.287 -0.110 0.000 1.228 34 K CB -1.250 31.211 32.500 -0.066 0.000 1.018 34 K HN 0.416 nan 8.250 nan 0.000 0.714 35 E N 0.721 120.817 120.200 -0.174 0.000 2.019 35 E HA -0.190 4.160 4.350 -0.000 0.000 0.208 35 E C 2.439 178.822 176.600 -0.362 0.000 1.030 35 E CA 2.866 59.143 56.400 -0.205 0.000 0.856 35 E CB -0.660 28.935 29.700 -0.175 0.000 0.781 35 E HN 0.788 nan 8.360 nan 0.000 0.471 36 T N -2.029 112.156 114.554 -0.615 0.000 2.937 36 T HA 0.110 4.460 4.350 -0.000 0.000 0.260 36 T C 1.310 175.440 174.700 -0.948 0.000 1.051 36 T CA 0.466 61.961 62.100 -1.009 0.000 1.141 36 T CB -0.838 66.971 68.868 -1.765 0.000 0.879 36 T HN 0.229 nan 8.240 nan 0.000 0.459 37 G N 2.406 110.765 108.800 -0.737 0.000 2.583 37 G HA2 0.285 4.245 3.960 -0.000 0.000 0.230 37 G HA3 0.285 4.245 3.960 -0.000 0.000 0.230 37 G C 0.153 174.843 174.900 -0.349 0.000 1.249 37 G CA -0.010 44.751 45.100 -0.564 0.000 0.857 37 G HN 0.828 nan 8.290 nan 0.000 0.569 38 S N 3.026 118.597 115.700 -0.215 0.000 2.715 38 S HA -0.003 4.467 4.470 -0.000 0.000 0.318 38 S C -1.357 173.230 174.600 -0.022 0.000 1.242 38 S CA -0.290 57.907 58.200 -0.006 0.000 1.044 38 S CB 0.863 64.199 63.200 0.227 0.000 0.760 38 S HN 0.445 nan 8.310 nan 0.000 0.501 39 P HA -0.173 nan 4.420 nan 0.000 0.217 39 P C 1.188 178.513 177.300 0.042 0.000 1.151 39 P CA 1.014 64.122 63.100 0.014 0.000 0.849 39 P CB -0.045 31.672 31.700 0.029 0.000 0.787 40 F N -1.325 118.577 119.950 -0.081 0.000 2.075 40 F HA -0.121 4.406 4.527 -0.000 0.000 0.297 40 F C 1.969 177.633 175.800 -0.227 0.000 1.113 40 F CA 1.239 59.135 58.000 -0.174 0.000 1.218 40 F CB -1.187 37.671 39.000 -0.235 0.000 0.984 40 F HN -0.138 nan 8.300 nan 0.000 0.472 41 W N -0.040 120.993 121.300 -0.445 0.000 2.381 41 W HA -0.118 4.542 4.660 0.000 0.000 0.301 41 W C 2.168 178.450 176.519 -0.395 0.000 1.205 41 W CA 0.409 57.376 57.345 -0.629 0.000 1.285 41 W CB -0.663 28.339 29.460 -0.763 0.000 1.133 41 W HN 0.013 nan 8.180 nan 0.000 0.521 42 L N 0.305 121.483 121.223 -0.075 0.000 2.013 42 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 42 L C 2.503 179.380 176.870 0.012 0.000 1.073 42 L CA 2.313 57.148 54.840 -0.008 0.000 0.753 42 L CB -1.754 40.277 42.059 -0.046 0.000 0.890 42 L HN 0.114 nan 8.230 nan 0.000 0.432 43 G N -1.980 106.789 108.800 -0.052 0.000 2.471 43 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.219 43 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.219 43 G C 1.590 176.445 174.900 -0.076 0.000 1.125 43 G CA 0.824 45.894 45.100 -0.051 0.000 0.775 43 G HN 0.339 nan 8.290 nan 0.000 0.548 44 M N 0.046 119.555 119.600 -0.153 0.000 2.476 44 M HA 0.305 4.785 4.480 -0.000 0.000 0.262 44 M C 2.234 178.615 176.300 0.135 0.000 1.111 44 M CA 0.647 55.885 55.300 -0.103 0.000 1.127 44 M CB -0.125 32.216 32.600 -0.431 0.000 1.376 44 M HN 0.198 nan 8.290 nan 0.000 0.465 45 R N 0.704 121.357 120.500 0.255 0.000 2.096 45 R HA -0.235 4.105 4.340 -0.000 0.000 0.240 45 R C 1.503 177.817 176.300 0.024 0.000 1.139 45 R CA 2.286 58.519 56.100 0.221 0.000 0.952 45 R CB -0.407 30.048 30.300 0.259 0.000 0.854 45 R HN 0.584 nan 8.270 nan 0.000 0.436 46 E N -0.098 120.115 120.200 0.022 0.000 2.463 46 E HA -0.184 4.166 4.350 -0.000 0.000 0.201 46 E C 1.441 178.030 176.600 -0.019 0.000 1.045 46 E CA 1.095 57.486 56.400 -0.015 0.000 0.872 46 E CB -0.074 29.620 29.700 -0.009 0.000 0.797 46 E HN 0.505 nan 8.360 nan 0.000 0.538 47 Q N -0.009 119.789 119.800 -0.002 0.000 2.384 47 Q HA 0.245 4.585 4.340 -0.000 0.000 0.207 47 Q C -0.041 175.960 176.000 0.002 0.000 0.904 47 Q CA -0.170 55.638 55.803 0.008 0.000 0.933 47 Q CB 0.401 29.157 28.738 0.029 0.000 1.077 47 Q HN 0.325 nan 8.270 nan 0.000 0.522 48 L N 2.313 123.500 121.223 -0.061 0.000 2.380 48 L HA 0.099 4.439 4.340 -0.000 0.000 0.273 48 L C 0.611 177.366 176.870 -0.193 0.000 1.138 48 L CA -0.007 54.720 54.840 -0.189 0.000 0.832 48 L CB 0.501 42.200 42.059 -0.601 0.000 1.124 48 L HN 0.314 nan 8.230 nan 0.000 0.454 49 N N 3.447 122.130 118.700 -0.028 0.000 2.758 49 N HA 0.260 5.000 4.740 -0.000 0.000 0.293 49 N C -0.874 174.748 175.510 0.187 0.000 1.273 49 N CA -0.393 52.687 53.050 0.050 0.000 1.022 49 N CB 0.147 38.694 38.487 0.100 0.000 1.334 49 N HN 0.437 nan 8.380 nan 0.000 0.519 50 F N -2.425 117.446 119.950 -0.133 0.000 2.725 50 F HA 0.312 4.839 4.527 0.000 0.000 0.309 50 F C -1.751 173.936 175.800 -0.188 0.000 1.132 50 F CA -1.585 56.321 58.000 -0.158 0.000 0.957 50 F CB 0.785 39.665 39.000 -0.200 0.000 1.286 50 F HN -0.199 nan 8.300 nan 0.000 0.440 51 D N 3.517 123.848 120.400 -0.114 0.000 2.339 51 D HA 0.434 5.074 4.640 -0.000 0.000 0.241 51 D C -2.070 174.137 176.300 -0.156 0.000 1.183 51 D CA -2.466 51.410 54.000 -0.207 0.000 0.859 51 D CB 1.679 42.409 40.800 -0.117 0.000 1.067 51 D HN 0.245 nan 8.370 nan 0.000 0.484 52 P HA -0.092 nan 4.420 nan 0.000 0.226 52 P C 0.924 178.146 177.300 -0.130 0.000 1.146 52 P CA 0.673 63.605 63.100 -0.279 0.000 0.773 52 P CB 0.190 31.383 31.700 -0.844 0.000 0.772 53 I N -1.745 118.751 120.570 -0.123 0.000 2.556 53 I HA 0.018 4.188 4.170 -0.000 0.000 0.251 53 I C 2.040 178.136 176.117 -0.036 0.000 1.105 53 I CA 1.086 62.348 61.300 -0.064 0.000 1.436 53 I CB -1.172 36.794 38.000 -0.058 0.000 1.139 53 I HN -0.110 nan 8.210 nan 0.000 0.438 54 K N 1.514 121.894 120.400 -0.033 0.000 2.044 54 K HA -0.037 4.283 4.320 -0.000 0.000 0.204 54 K C 0.084 176.679 176.600 -0.008 0.000 1.045 54 K CA 1.016 57.291 56.287 -0.020 0.000 0.951 54 K CB -0.270 32.217 32.500 -0.022 0.000 0.738 54 K HN 0.413 nan 8.250 nan 0.000 0.443 55 D N 0.628 121.034 120.400 0.010 0.000 2.493 55 D HA 0.206 4.846 4.640 -0.000 0.000 0.235 55 D C -0.747 175.559 176.300 0.010 0.000 1.117 55 D CA -0.458 53.545 54.000 0.005 0.000 0.930 55 D CB 0.974 41.779 40.800 0.009 0.000 1.010 55 D HN -0.258 nan 8.370 nan 0.000 0.514 56 V N 2.429 122.340 119.914 -0.005 0.000 4.318 56 V HA -0.038 4.082 4.120 -0.000 0.000 0.237 56 V C 0.183 176.276 176.094 -0.002 0.000 1.111 56 V CA -0.562 61.737 62.300 -0.000 0.000 1.203 56 V CB 1.225 33.086 31.823 0.064 0.000 0.787 56 V HN 0.463 nan 8.190 nan 0.000 0.476 57 K N 0.576 120.971 120.400 -0.009 0.000 2.362 57 K HA 0.263 4.583 4.320 -0.000 0.000 0.203 57 K C 0.836 177.436 176.600 -0.001 0.000 1.198 57 K CA 0.710 56.993 56.287 -0.008 0.000 0.908 57 K CB 0.537 33.032 32.500 -0.010 0.000 1.236 57 K HN 0.676 nan 8.250 nan 0.000 0.487 58 T N -0.367 114.190 114.554 0.006 0.000 2.902 58 T HA 0.280 4.630 4.350 -0.000 0.000 0.280 58 T C 1.439 176.157 174.700 0.030 0.000 0.992 58 T CA -0.794 61.317 62.100 0.018 0.000 1.015 58 T CB 1.113 69.994 68.868 0.023 0.000 1.044 58 T HN -0.139 nan 8.240 nan 0.000 0.520 59 I N 1.388 121.980 120.570 0.037 0.000 2.335 59 I HA -0.166 4.004 4.170 -0.000 0.000 0.251 59 I C 2.444 178.598 176.117 0.062 0.000 1.129 59 I CA 1.396 62.726 61.300 0.050 0.000 1.402 59 I CB -1.079 36.944 38.000 0.038 0.000 1.069 59 I HN 0.823 nan 8.210 nan 0.000 0.424 60 N N 0.624 119.352 118.700 0.047 0.000 2.300 60 N HA -0.178 4.562 4.740 -0.000 0.000 0.179 60 N C 1.297 176.823 175.510 0.026 0.000 1.016 60 N CA 0.889 53.964 53.050 0.041 0.000 0.876 60 N CB 0.044 38.549 38.487 0.031 0.000 0.979 60 N HN 0.209 nan 8.380 nan 0.000 0.432 61 D N 0.988 121.396 120.400 0.014 0.000 2.265 61 D HA -0.088 4.552 4.640 -0.000 0.000 0.208 61 D C 1.703 177.996 176.300 -0.011 0.000 0.977 61 D CA 0.425 54.413 54.000 -0.020 0.000 0.871 61 D CB -0.094 40.695 40.800 -0.019 0.000 0.925 61 D HN 0.391 nan 8.370 nan 0.000 0.485 62 L N -0.191 121.092 121.223 0.101 0.000 2.622 62 L HA 0.042 4.382 4.340 -0.000 0.000 0.233 62 L C 2.173 179.167 176.870 0.208 0.000 1.156 62 L CA 0.259 55.262 54.840 0.272 0.000 0.866 62 L CB -0.246 42.023 42.059 0.350 0.000 0.980 62 L HN -0.141 nan 8.230 nan 0.000 0.448 63 R N 0.991 121.532 120.500 0.068 0.000 2.211 63 R HA -0.212 4.128 4.340 -0.000 0.000 0.240 63 R C 1.854 178.145 176.300 -0.016 0.000 1.144 63 R CA 1.511 57.634 56.100 0.038 0.000 0.992 63 R CB -0.219 30.079 30.300 -0.003 0.000 0.869 63 R HN 0.658 nan 8.270 nan 0.000 0.462 64 Q N -0.920 118.773 119.800 -0.177 0.000 2.403 64 Q HA 0.069 4.409 4.340 -0.000 0.000 0.203 64 Q C -0.285 175.508 176.000 -0.345 0.000 0.932 64 Q CA 0.146 55.691 55.803 -0.430 0.000 0.945 64 Q CB 0.230 28.389 28.738 -0.965 0.000 1.045 64 Q HN 0.124 nan 8.270 nan 0.000 0.511 65 F N 2.053 122.046 119.950 0.072 0.000 2.379 65 F HA 0.271 4.798 4.527 -0.000 0.000 0.332 65 F C 0.787 176.700 175.800 0.188 0.000 1.096 65 F CA -0.810 57.352 58.000 0.271 0.000 1.105 65 F CB 1.367 40.541 39.000 0.290 0.000 1.189 65 F HN -0.021 nan 8.300 nan 0.000 0.515 66 S N 0.112 116.046 115.700 0.390 0.000 2.713 66 S HA 0.269 4.739 4.470 -0.000 0.000 0.283 66 S C -0.800 173.966 174.600 0.277 0.000 1.161 66 S CA -1.102 57.258 58.200 0.267 0.000 0.999 66 S CB 1.416 64.732 63.200 0.194 0.000 1.039 66 S HN 0.575 nan 8.310 nan 0.000 0.548 67 D N 1.105 121.625 120.400 0.199 0.000 2.412 67 D HA -0.007 4.633 4.640 -0.000 0.000 0.257 67 D C 0.755 177.170 176.300 0.190 0.000 1.217 67 D CA -0.437 53.667 54.000 0.174 0.000 0.897 67 D CB 0.118 40.987 40.800 0.116 0.000 1.132 67 D HN 0.595 nan 8.370 nan 0.000 0.493 68 I N 1.612 122.320 120.570 0.230 0.000 3.764 68 I HA 0.117 4.287 4.170 -0.000 0.000 0.336 68 I C 0.271 176.483 176.117 0.159 0.000 1.465 68 I CA -0.284 61.149 61.300 0.222 0.000 1.221 68 I CB -0.498 37.660 38.000 0.264 0.000 1.348 68 I HN 0.066 nan 8.210 nan 0.000 0.432 69 S N 0.427 116.188 115.700 0.102 0.000 2.395 69 S HA -0.131 4.339 4.470 -0.000 0.000 0.225 69 S C 1.631 176.268 174.600 0.061 0.000 1.027 69 S CA 0.944 59.161 58.200 0.027 0.000 0.965 69 S CB -0.601 62.582 63.200 -0.029 0.000 0.812 69 S HN 0.718 nan 8.310 nan 0.000 0.482 70 H N 0.097 119.170 119.070 0.005 0.000 2.375 70 H HA -0.246 4.310 4.556 0.000 0.000 0.289 70 H C 1.928 177.248 175.328 -0.013 0.000 1.121 70 H CA 1.673 57.722 56.048 0.002 0.000 1.207 70 H CB -0.147 29.631 29.762 0.026 0.000 1.355 70 H HN 0.420 nan 8.280 nan 0.000 0.486 71 C N -0.079 119.295 119.300 0.124 0.000 2.457 71 C HA -0.061 4.399 4.460 -0.000 0.000 0.278 71 C C 2.557 177.502 174.990 -0.075 0.000 1.309 71 C CA 0.359 59.384 59.018 0.011 0.000 1.735 71 C CB -0.695 27.056 27.740 0.019 0.000 1.992 71 C HN 0.525 nan 8.230 nan 0.000 0.493 72 L N 0.581 121.746 121.223 -0.096 0.000 2.622 72 L HA -0.030 4.310 4.340 -0.000 0.000 0.233 72 L C 2.628 179.483 176.870 -0.026 0.000 1.156 72 L CA 0.722 55.485 54.840 -0.128 0.000 0.866 72 L CB -0.574 41.401 42.059 -0.140 0.000 0.980 72 L HN 0.424 nan 8.230 nan 0.000 0.448 73 R N -0.516 119.985 120.500 0.001 0.000 2.100 73 R HA -0.042 4.298 4.340 -0.000 0.000 0.220 73 R C 1.889 178.269 176.300 0.133 0.000 1.091 73 R CA 0.733 56.861 56.100 0.046 0.000 0.986 73 R CB 0.079 30.395 30.300 0.026 0.000 0.888 73 R HN 0.385 nan 8.270 nan 0.000 0.444 74 Q N 0.496 120.327 119.800 0.052 0.000 2.373 74 Q HA 0.008 4.348 4.340 -0.000 0.000 0.210 74 Q C 0.130 176.120 176.000 -0.016 0.000 0.913 74 Q CA 0.315 56.132 55.803 0.025 0.000 0.911 74 Q CB 0.219 28.957 28.738 0.001 0.000 1.040 74 Q HN 0.131 nan 8.270 nan 0.000 0.521 75 E N 3.568 123.732 120.200 -0.060 0.000 2.299 75 E HA 0.062 4.412 4.350 -0.000 0.000 0.272 75 E C -2.271 174.269 176.600 -0.101 0.000 1.043 75 E CA -1.925 54.405 56.400 -0.117 0.000 0.895 75 E CB 0.677 30.199 29.700 -0.298 0.000 1.011 75 E HN -0.066 nan 8.360 nan 0.000 0.432 76 P HA -0.071 nan 4.420 nan 0.000 0.271 76 P C 1.025 178.276 177.300 -0.082 0.000 1.233 76 P CA -0.071 62.975 63.100 -0.091 0.000 0.764 76 P CB 1.047 32.706 31.700 -0.068 0.000 0.825 77 V N 2.206 122.061 119.914 -0.097 0.000 2.380 77 V HA -0.319 3.801 4.120 -0.000 0.000 0.251 77 V C 2.304 178.386 176.094 -0.020 0.000 1.063 77 V CA 2.084 64.349 62.300 -0.058 0.000 1.055 77 V CB -2.204 29.580 31.823 -0.064 0.000 0.657 77 V HN 0.488 nan 8.190 nan 0.000 0.455 78 A N 1.669 124.474 122.820 -0.025 0.000 1.958 78 A HA -0.327 3.993 4.320 -0.000 0.000 0.221 78 A C 1.937 179.542 177.584 0.035 0.000 1.178 78 A CA 2.601 54.641 52.037 0.006 0.000 0.642 78 A CB -1.379 17.618 19.000 -0.006 0.000 0.816 78 A HN 0.808 nan 8.150 nan 0.000 0.453 79 N N -0.450 118.266 118.700 0.027 0.000 2.571 79 N HA 0.111 4.851 4.740 -0.000 0.000 0.189 79 N C 0.944 176.523 175.510 0.115 0.000 1.154 79 N CA 0.283 53.371 53.050 0.063 0.000 0.907 79 N CB -0.112 38.417 38.487 0.070 0.000 0.977 79 N HN 0.477 nan 8.380 nan 0.000 0.449 80 L N 0.307 121.595 121.223 0.107 0.000 2.585 80 L HA 0.156 4.496 4.340 -0.000 0.000 0.226 80 L C -0.011 177.005 176.870 0.242 0.000 1.113 80 L CA 0.022 54.963 54.840 0.168 0.000 0.876 80 L CB 0.472 42.606 42.059 0.125 0.000 1.072 80 L HN -0.006 nan 8.230 nan 0.000 0.468 81 V N 1.720 121.757 119.914 0.206 0.000 2.368 81 V HA 0.200 4.320 4.120 -0.000 0.000 0.266 81 V C -2.098 174.070 176.094 0.124 0.000 1.045 81 V CA -1.541 60.913 62.300 0.258 0.000 0.899 81 V CB 0.739 32.712 31.823 0.250 0.000 1.006 81 V HN -0.024 nan 8.190 nan 0.000 0.470 82 P HA 0.018 nan 4.420 nan 0.000 0.260 82 P C 0.932 178.139 177.300 -0.155 0.000 1.207 82 P CA 0.294 63.316 63.100 -0.131 0.000 0.780 82 P CB 0.346 31.981 31.700 -0.108 0.000 0.789 83 Q N 2.672 122.341 119.800 -0.218 0.000 2.325 83 Q HA -0.144 4.196 4.340 -0.000 0.000 0.211 83 Q C 1.741 177.615 176.000 -0.209 0.000 0.988 83 Q CA 1.840 57.533 55.803 -0.183 0.000 0.887 83 Q CB -0.360 28.264 28.738 -0.189 0.000 0.915 83 Q HN 0.604 nan 8.270 nan 0.000 0.440 84 G N -0.481 108.072 108.800 -0.410 0.000 3.189 84 G HA2 0.236 4.196 3.960 -0.000 0.000 0.225 84 G HA3 0.236 4.196 3.960 -0.000 0.000 0.225 84 G C 0.353 175.368 174.900 0.192 0.000 1.159 84 G CA -0.296 44.618 45.100 -0.311 0.000 0.763 84 G HN 0.068 nan 8.290 nan 0.000 0.549 85 L N 1.926 123.227 121.223 0.130 0.000 2.417 85 L HA 0.303 4.643 4.340 -0.000 0.000 0.268 85 L C -1.473 175.471 176.870 0.123 0.000 1.158 85 L CA -1.845 53.065 54.840 0.116 0.000 0.819 85 L CB 0.581 42.633 42.059 -0.011 0.000 1.112 85 L HN -0.021 nan 8.230 nan 0.000 0.458 86 P HA -0.006 nan 4.420 nan 0.000 0.269 86 P C 0.301 177.666 177.300 0.108 0.000 1.217 86 P CA -0.205 62.966 63.100 0.117 0.000 0.783 86 P CB 0.653 32.424 31.700 0.118 0.000 0.898 87 A N 2.615 125.483 122.820 0.081 0.000 1.881 87 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 87 A C 1.332 178.952 177.584 0.060 0.000 1.215 87 A CA 2.514 54.586 52.037 0.060 0.000 0.648 87 A CB -1.671 17.353 19.000 0.040 0.000 0.832 87 A HN 0.710 nan 8.150 nan 0.000 0.455 88 D N -0.156 120.290 120.400 0.077 0.000 2.400 88 D HA 0.057 4.697 4.640 -0.000 0.000 0.243 88 D C 1.347 177.765 176.300 0.196 0.000 1.184 88 D CA 0.847 54.899 54.000 0.087 0.000 0.853 88 D CB -0.691 40.181 40.800 0.120 0.000 0.944 88 D HN 0.444 nan 8.370 nan 0.000 0.501 89 S N -0.181 115.651 115.700 0.220 0.000 2.383 89 S HA -0.288 4.182 4.470 -0.000 0.000 0.229 89 S C 0.772 175.686 174.600 0.524 0.000 1.030 89 S CA 0.861 59.278 58.200 0.362 0.000 1.002 89 S CB -0.743 62.661 63.200 0.340 0.000 0.829 89 S HN 0.549 nan 8.310 nan 0.000 0.467 90 H N 1.297 120.547 119.070 0.301 0.000 3.228 90 H HA -0.044 4.512 4.556 0.000 0.000 0.364 90 H C -2.811 172.614 175.328 0.161 0.000 1.331 90 H CA 0.487 56.653 56.048 0.197 0.000 1.286 90 H CB -1.851 28.004 29.762 0.155 0.000 1.515 90 H HN 0.439 nan 8.280 nan 0.000 0.456 91 P HA 0.279 nan 4.420 nan 0.000 0.272 91 P C -0.193 177.017 177.300 -0.151 0.000 1.230 91 P CA 0.217 63.236 63.100 -0.133 0.000 0.788 91 P CB 1.033 32.721 31.700 -0.019 0.000 0.949 92 Q N 0.038 119.671 119.800 -0.279 0.000 2.352 92 Q HA 0.380 4.720 4.340 -0.000 0.000 0.270 92 Q C -1.629 174.123 176.000 -0.414 0.000 1.006 92 Q CA -0.708 54.919 55.803 -0.293 0.000 0.880 92 Q CB 1.907 30.479 28.738 -0.277 0.000 1.392 92 Q HN 0.101 nan 8.270 nan 0.000 0.401 93 V N 3.548 123.197 119.914 -0.441 0.000 2.530 93 V HA 0.391 4.511 4.120 -0.000 0.000 0.282 93 V C -0.869 174.851 176.094 -0.624 0.000 1.048 93 V CA 0.004 62.095 62.300 -0.347 0.000 0.997 93 V CB 0.135 31.852 31.823 -0.177 0.000 0.987 93 V HN 0.610 nan 8.190 nan 0.000 0.477 94 Y N 1.966 122.262 120.300 -0.007 0.000 2.512 94 Y HA 0.567 5.117 4.550 0.000 0.000 0.348 94 Y C 0.213 176.069 175.900 -0.072 0.000 0.990 94 Y CA -1.003 57.074 58.100 -0.039 0.000 1.033 94 Y CB 1.937 40.376 38.460 -0.035 0.000 1.259 94 Y HN 0.618 nan 8.280 nan 0.000 0.461 95 E N 0.185 120.380 120.200 -0.008 0.000 2.249 95 E HA 0.684 5.034 4.350 -0.000 0.000 0.263 95 E C -1.120 175.371 176.600 -0.182 0.000 0.950 95 E CA -0.969 55.322 56.400 -0.181 0.000 0.827 95 E CB 1.612 31.149 29.700 -0.271 0.000 1.220 95 E HN 0.439 nan 8.360 nan 0.000 0.411 96 S N 0.951 116.530 115.700 -0.203 0.000 2.542 96 S HA 0.373 4.843 4.470 -0.000 0.000 0.245 96 S C -0.064 174.475 174.600 -0.103 0.000 1.325 96 S CA -0.738 57.388 58.200 -0.124 0.000 1.176 96 S CB 1.113 64.235 63.200 -0.131 0.000 1.045 96 S HN 0.825 nan 8.310 nan 0.000 0.481 97 G N 2.278 111.063 108.800 -0.025 0.000 2.447 97 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.257 97 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.257 97 G C 0.821 175.708 174.900 -0.022 0.000 0.220 97 G CA 0.003 45.126 45.100 0.038 0.000 1.103 97 G HN 0.971 nan 8.290 nan 0.000 0.502 98 G N 1.718 110.491 108.800 -0.044 0.000 3.234 98 G HA2 0.269 4.229 3.960 -0.000 0.000 0.221 98 G HA3 0.269 4.229 3.960 -0.000 0.000 0.221 98 G C 0.974 175.869 174.900 -0.008 0.000 1.229 98 G CA 0.664 45.734 45.100 -0.050 0.000 0.909 98 G HN 1.128 nan 8.290 nan 0.000 0.510 99 T N 1.575 116.136 114.554 0.011 0.000 2.831 99 T HA 0.222 4.572 4.350 -0.000 0.000 0.291 99 T C 1.031 175.726 174.700 -0.008 0.000 0.981 99 T CA -0.142 61.964 62.100 0.011 0.000 1.174 99 T CB -0.125 68.757 68.868 0.023 0.000 0.929 99 T HN 0.187 nan 8.240 nan 0.000 0.532 100 T N 4.073 118.621 114.554 -0.011 0.000 2.923 100 T HA 0.351 4.701 4.350 -0.000 0.000 0.320 100 T C 1.016 175.705 174.700 -0.018 0.000 1.074 100 T CA 0.464 62.556 62.100 -0.013 0.000 1.131 100 T CB -0.353 68.508 68.868 -0.012 0.000 1.058 100 T HN 1.658 nan 8.240 nan 0.000 0.535 101 G N 0.610 109.400 108.800 -0.017 0.000 2.905 101 G HA2 0.321 4.281 3.960 -0.000 0.000 0.245 101 G HA3 0.321 4.281 3.960 -0.000 0.000 0.245 101 G C -0.252 174.627 174.900 -0.036 0.000 1.004 101 G CA -0.487 44.599 45.100 -0.023 0.000 1.089 101 G HN 1.316 nan 8.290 nan 0.000 0.456 102 A N 4.143 126.943 122.820 -0.034 0.000 2.335 102 A HA 0.996 5.316 4.320 -0.000 0.000 0.304 102 A C -2.052 175.481 177.584 -0.084 0.000 1.118 102 A CA -1.158 50.849 52.037 -0.051 0.000 0.757 102 A CB 2.315 21.303 19.000 -0.020 0.000 1.188 102 A HN 0.733 nan 8.150 nan 0.000 0.460 103 P HA 0.610 nan 4.420 nan 0.000 0.298 103 P C -1.434 175.547 177.300 -0.531 0.000 1.341 103 P CA -0.769 62.137 63.100 -0.323 0.000 1.032 103 P CB 1.619 33.100 31.700 -0.365 0.000 1.386 104 K N 1.460 121.601 120.400 -0.431 0.000 2.234 104 K HA 0.371 4.691 4.320 -0.000 0.000 0.277 104 K C -0.645 175.697 176.600 -0.430 0.000 1.038 104 K CA -0.429 55.627 56.287 -0.386 0.000 0.888 104 K CB 0.516 32.884 32.500 -0.220 0.000 1.091 104 K HN 0.398 nan 8.250 nan 0.000 0.467 105 Y N 1.665 121.906 120.300 -0.098 0.000 2.319 105 Y HA 0.270 4.820 4.550 -0.000 0.000 0.328 105 Y C 0.708 176.552 175.900 -0.094 0.000 1.133 105 Y CA -0.738 57.306 58.100 -0.094 0.000 1.265 105 Y CB 0.855 39.261 38.460 -0.091 0.000 1.218 105 Y HN 0.289 nan 8.280 nan 0.000 0.508 106 V N 0.310 120.269 119.914 0.074 0.000 3.181 106 V HA 0.831 4.951 4.120 -0.000 0.000 0.308 106 V C -1.395 174.757 176.094 0.095 0.000 1.214 106 V CA -1.064 61.278 62.300 0.070 0.000 1.053 106 V CB 1.902 33.719 31.823 -0.010 0.000 1.069 106 V HN 0.407 nan 8.190 nan 0.000 0.441 107 V N 1.554 121.539 119.914 0.119 0.000 2.540 107 V HA 0.954 5.074 4.120 -0.000 0.000 0.302 107 V C 0.394 176.487 176.094 -0.001 0.000 1.035 107 V CA 0.424 62.733 62.300 0.014 0.000 0.873 107 V CB 1.244 33.065 31.823 -0.003 0.000 0.992 107 V HN 1.566 nan 8.190 nan 0.000 0.428 108 A N 4.294 127.085 122.820 -0.048 0.000 2.435 108 A HA 0.994 5.314 4.320 -0.000 0.000 0.296 108 A C -1.896 175.511 177.584 -0.296 0.000 1.147 108 A CA -0.540 51.467 52.037 -0.049 0.000 0.775 108 A CB 1.661 20.818 19.000 0.261 0.000 1.340 108 A HN 0.688 nan 8.150 nan 0.000 0.427 109 Y N -0.184 120.234 120.300 0.196 0.000 2.499 109 Y HA 0.327 4.877 4.550 -0.000 0.000 0.347 109 Y C 0.667 176.586 175.900 0.032 0.000 0.987 109 Y CA -0.903 57.284 58.100 0.145 0.000 1.044 109 Y CB 1.504 40.091 38.460 0.211 0.000 1.245 109 Y HN 0.714 nan 8.280 nan 0.000 0.461 110 D N 1.419 121.935 120.400 0.193 0.000 2.149 110 D HA -0.257 4.383 4.640 -0.000 0.000 0.194 110 D C 1.982 178.265 176.300 -0.028 0.000 1.001 110 D CA 2.015 56.045 54.000 0.050 0.000 0.849 110 D CB -0.270 40.546 40.800 0.026 0.000 0.939 110 D HN 0.709 nan 8.370 nan 0.000 0.449 111 A N 1.572 124.420 122.820 0.046 0.000 1.883 111 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 111 A C 2.158 179.522 177.584 -0.366 0.000 1.186 111 A CA 1.580 53.617 52.037 0.001 0.000 0.624 111 A CB -1.312 17.936 19.000 0.414 0.000 0.822 111 A HN 0.527 nan 8.150 nan 0.000 0.444 112 W N 0.719 121.430 121.300 -0.982 0.000 2.311 112 W HA -0.255 4.405 4.660 0.000 0.000 0.326 112 W C 1.835 178.065 176.519 -0.482 0.000 1.239 112 W CA 2.174 58.838 57.345 -1.135 0.000 1.258 112 W CB -0.575 28.207 29.460 -1.129 0.000 1.165 112 W HN 0.338 nan 8.180 nan 0.000 0.466 113 I N 1.265 121.426 120.570 -0.682 0.000 2.127 113 I HA -0.358 3.812 4.170 -0.000 0.000 0.241 113 I C 2.476 178.274 176.117 -0.531 0.000 1.075 113 I CA 2.188 63.103 61.300 -0.642 0.000 1.334 113 I CB -0.861 36.948 38.000 -0.318 0.000 1.040 113 I HN 0.046 nan 8.210 nan 0.000 0.405 114 E N 0.855 120.839 120.200 -0.360 0.000 2.095 114 E HA -0.352 3.998 4.350 -0.000 0.000 0.212 114 E C 2.271 178.654 176.600 -0.361 0.000 1.044 114 E CA 1.915 58.143 56.400 -0.287 0.000 0.857 114 E CB -0.397 29.198 29.700 -0.174 0.000 0.764 114 E HN 0.588 nan 8.360 nan 0.000 0.462 115 A N 0.850 123.413 122.820 -0.428 0.000 1.902 115 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 115 A C 2.189 179.292 177.584 -0.802 0.000 1.181 115 A CA 1.380 53.152 52.037 -0.441 0.000 0.623 115 A CB -0.648 18.169 19.000 -0.305 0.000 0.818 115 A HN 0.246 nan 8.150 nan 0.000 0.443 116 L N -0.178 120.393 121.223 -1.086 0.000 2.043 116 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 116 L C 2.083 178.609 176.870 -0.573 0.000 1.075 116 L CA 1.829 55.999 54.840 -1.116 0.000 0.752 116 L CB -0.374 41.081 42.059 -1.008 0.000 0.891 116 L HN 0.370 nan 8.230 nan 0.000 0.432 117 I N -0.753 119.549 120.570 -0.447 0.000 2.500 117 I HA -0.150 4.020 4.170 -0.000 0.000 0.252 117 I C 2.410 178.361 176.117 -0.276 0.000 1.142 117 I CA 1.366 62.496 61.300 -0.283 0.000 1.451 117 I CB -1.136 36.710 38.000 -0.258 0.000 1.093 117 I HN 0.382 nan 8.210 nan 0.000 0.430 118 S N -0.087 115.441 115.700 -0.287 0.000 2.423 118 S HA -0.221 4.249 4.470 -0.000 0.000 0.231 118 S C 1.699 176.171 174.600 -0.213 0.000 1.014 118 S CA 0.719 58.783 58.200 -0.227 0.000 0.965 118 S CB -0.766 62.344 63.200 -0.150 0.000 0.785 118 S HN 0.656 nan 8.310 nan 0.000 0.495 119 W N 3.015 124.041 121.300 -0.457 0.000 2.407 119 W HA 0.032 4.692 4.660 0.000 0.000 0.305 119 W C 2.463 178.817 176.519 -0.276 0.000 1.196 119 W CA 1.102 58.213 57.345 -0.389 0.000 1.311 119 W CB -0.384 28.628 29.460 -0.747 0.000 1.135 119 W HN 0.132 nan 8.180 nan 0.000 0.514 120 R N 0.079 120.327 120.500 -0.419 0.000 2.103 120 R HA -0.209 4.131 4.340 -0.000 0.000 0.242 120 R C 2.032 177.971 176.300 -0.603 0.000 1.142 120 R CA 2.511 58.188 56.100 -0.705 0.000 0.960 120 R CB -0.484 29.694 30.300 -0.203 0.000 0.858 120 R HN 0.293 nan 8.270 nan 0.000 0.439 121 M N 0.468 119.717 119.600 -0.585 0.000 2.492 121 M HA 0.057 4.537 4.480 -0.000 0.000 0.255 121 M C 0.632 176.348 176.300 -0.973 0.000 1.139 121 M CA 0.018 54.717 55.300 -1.002 0.000 1.096 121 M CB 0.585 32.746 32.600 -0.732 0.000 1.360 121 M HN 0.087 nan 8.290 nan 0.000 0.480 122 S N 0.003 115.364 115.700 -0.564 0.000 2.569 122 S HA 0.374 4.844 4.470 -0.000 0.000 0.274 122 S C 1.297 175.675 174.600 -0.369 0.000 1.353 122 S CA 0.286 58.258 58.200 -0.380 0.000 1.023 122 S CB 0.836 63.912 63.200 -0.207 0.000 0.876 122 S HN 0.634 nan 8.310 nan 0.000 0.540 123 G N 1.101 109.779 108.800 -0.202 0.000 2.358 123 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.224 123 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.224 123 G C 0.395 175.294 174.900 -0.002 0.000 1.073 123 G CA 0.819 45.863 45.100 -0.093 0.000 0.635 123 G HN 1.664 nan 8.290 nan 0.000 0.509 124 Y N -1.507 118.730 120.300 -0.106 0.000 2.590 124 Y HA 0.568 5.118 4.550 -0.000 0.000 0.263 124 Y C 1.991 177.824 175.900 -0.112 0.000 1.069 124 Y CA 0.820 58.870 58.100 -0.084 0.000 1.242 124 Y CB -0.288 38.123 38.460 -0.082 0.000 1.357 124 Y HN 0.250 nan 8.280 nan 0.000 0.556 125 Q N 1.671 121.174 119.800 -0.496 0.000 2.173 125 Q HA -0.227 4.113 4.340 -0.000 0.000 0.208 125 Q C 0.608 176.381 176.000 -0.379 0.000 0.989 125 Q CA 2.682 58.195 55.803 -0.484 0.000 0.872 125 Q CB -0.400 27.963 28.738 -0.624 0.000 0.909 125 Q HN 0.779 nan 8.270 nan 0.000 0.420 126 H N -1.327 117.706 119.070 -0.062 0.000 2.785 126 H HA 0.321 4.877 4.556 -0.000 0.000 0.268 126 H C -0.472 174.854 175.328 -0.003 0.000 1.153 126 H CA -0.615 55.415 56.048 -0.029 0.000 1.111 126 H CB 0.577 30.315 29.762 -0.040 0.000 1.633 126 H HN -0.065 nan 8.280 nan 0.000 0.576 127 R N 3.114 123.672 120.500 0.097 0.000 2.401 127 R HA 0.087 4.427 4.340 -0.000 0.000 0.299 127 R C -2.551 173.792 176.300 0.073 0.000 1.064 127 R CA -1.445 54.704 56.100 0.081 0.000 1.000 127 R CB 0.319 30.672 30.300 0.088 0.000 0.973 127 R HN 0.170 nan 8.270 nan 0.000 0.438 128 P HA 0.009 nan 4.420 nan 0.000 0.267 128 P C 0.326 177.652 177.300 0.043 0.000 1.200 128 P CA 0.427 63.556 63.100 0.048 0.000 0.772 128 P CB 0.410 32.131 31.700 0.035 0.000 0.855 129 G N 1.675 110.499 108.800 0.040 0.000 2.225 129 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.272 129 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.272 129 G C 0.534 175.458 174.900 0.041 0.000 0.996 129 G CA 0.563 45.683 45.100 0.033 0.000 0.710 129 G HN 0.912 nan 8.290 nan 0.000 0.522 130 R N 0.725 121.260 120.500 0.058 0.000 2.587 130 R HA 0.202 4.542 4.340 -0.000 0.000 0.268 130 R C -1.729 174.621 176.300 0.084 0.000 0.978 130 R CA -0.167 55.980 56.100 0.078 0.000 1.097 130 R CB 0.085 30.447 30.300 0.104 0.000 0.917 130 R HN 0.188 nan 8.270 nan 0.000 0.414 131 P HA 0.179 nan 4.420 nan 0.000 0.274 131 P C -1.088 176.320 177.300 0.179 0.000 1.246 131 P CA -0.332 62.821 63.100 0.089 0.000 0.795 131 P CB 1.263 32.988 31.700 0.041 0.000 1.006 132 S N -0.773 114.993 115.700 0.110 0.000 2.627 132 S HA 0.901 5.371 4.470 -0.000 0.000 0.283 132 S C -0.274 174.412 174.600 0.143 0.000 1.127 132 S CA -0.085 58.230 58.200 0.192 0.000 0.863 132 S CB 2.040 65.311 63.200 0.120 0.000 1.121 132 S HN 0.886 nan 8.310 nan 0.000 0.479 133 G N 1.322 110.267 108.800 0.242 0.000 2.368 133 G HA2 0.135 4.095 3.960 -0.000 0.000 0.302 133 G HA3 0.135 4.095 3.960 -0.000 0.000 0.302 133 G C -1.924 173.148 174.900 0.287 0.000 1.329 133 G CA -1.081 44.119 45.100 0.166 0.000 0.935 133 G HN 0.552 nan 8.290 nan 0.000 0.590 134 N N -0.330 118.505 118.700 0.226 0.000 2.354 134 N HA 0.522 5.262 4.740 -0.000 0.000 0.246 134 N C -0.276 175.439 175.510 0.342 0.000 1.285 134 N CA 0.490 53.718 53.050 0.297 0.000 0.925 134 N CB 0.788 39.503 38.487 0.380 0.000 1.174 134 N HN 0.558 nan 8.380 nan 0.000 0.478 135 T N 1.023 115.772 114.554 0.326 0.000 2.879 135 T HA 0.282 4.632 4.350 -0.000 0.000 0.290 135 T C -0.577 174.200 174.700 0.129 0.000 0.993 135 T CA -0.565 61.689 62.100 0.256 0.000 0.975 135 T CB 1.376 70.384 68.868 0.233 0.000 0.981 135 T HN 0.204 nan 8.240 nan 0.000 0.439 136 L N 3.821 125.056 121.223 0.019 0.000 2.255 136 L HA 0.769 5.109 4.340 -0.000 0.000 0.289 136 L C -0.241 176.565 176.870 -0.106 0.000 1.046 136 L CA -0.771 54.012 54.840 -0.096 0.000 0.816 136 L CB -0.007 41.968 42.059 -0.141 0.000 1.197 136 L HN 0.779 nan 8.230 nan 0.000 0.427 137 A N 4.973 127.655 122.820 -0.229 0.000 2.273 137 A HA 0.736 5.056 4.320 -0.000 0.000 0.320 137 A C 0.385 177.927 177.584 -0.069 0.000 1.358 137 A CA -0.105 51.878 52.037 -0.090 0.000 0.910 137 A CB 0.538 19.561 19.000 0.039 0.000 1.159 137 A HN 1.010 nan 8.150 nan 0.000 0.526 138 A N 3.798 126.600 122.820 -0.031 0.000 3.135 138 A HA 0.525 4.845 4.320 -0.000 0.000 0.253 138 A C 0.368 177.957 177.584 0.009 0.000 1.638 138 A CA -0.128 51.891 52.037 -0.031 0.000 1.295 138 A CB -1.311 17.664 19.000 -0.042 0.000 1.106 138 A HN 1.122 nan 8.150 nan 0.000 0.648 139 I N -4.177 116.416 120.570 0.038 0.000 3.108 139 I HA 0.674 4.844 4.170 -0.000 0.000 0.312 139 I C -3.007 173.142 176.117 0.053 0.000 1.095 139 I CA -3.349 57.982 61.300 0.052 0.000 1.000 139 I CB 1.695 39.745 38.000 0.083 0.000 1.229 139 I HN -0.129 nan 8.210 nan 0.000 0.454 140 P HA 0.110 nan 4.420 nan 0.000 0.265 140 P C -0.241 177.110 177.300 0.086 0.000 1.193 140 P CA 0.197 63.267 63.100 -0.050 0.000 0.765 140 P CB 0.757 32.222 31.700 -0.390 0.000 0.823 141 T N 0.098 114.746 114.554 0.158 0.000 2.435 141 T HA 0.503 4.853 4.350 -0.000 0.000 0.177 141 T C 1.166 176.035 174.700 0.282 0.000 0.716 141 T CA 0.370 62.603 62.100 0.220 0.000 1.523 141 T CB -0.978 68.025 68.868 0.225 0.000 2.878 141 T HN 0.513 nan 8.240 nan 0.000 0.405 142 G N 3.092 112.028 108.800 0.226 0.000 2.661 142 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.327 142 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.327 142 G C -1.245 173.777 174.900 0.203 0.000 1.320 142 G CA 0.633 45.856 45.100 0.205 0.000 0.997 142 G HN 0.742 nan 8.290 nan 0.000 0.543 143 P HA 0.065 nan 4.420 nan 0.000 0.242 143 P C 0.065 177.419 177.300 0.090 0.000 1.197 143 P CA 0.774 63.888 63.100 0.023 0.000 0.765 143 P CB -0.132 31.494 31.700 -0.124 0.000 0.936 144 H N 0.581 119.779 119.070 0.213 0.000 2.604 144 H HA 0.145 4.701 4.556 0.000 0.000 0.306 144 H C 1.368 176.745 175.328 0.082 0.000 1.075 144 H CA -0.592 55.548 56.048 0.152 0.000 1.357 144 H CB 1.940 31.755 29.762 0.088 0.000 1.426 144 H HN -0.041 nan 8.280 nan 0.000 0.470 145 I N 4.172 124.742 120.570 -0.001 0.000 2.700 145 I HA -0.232 3.938 4.170 -0.000 0.000 0.261 145 I C 2.246 178.224 176.117 -0.232 0.000 1.219 145 I CA 0.802 61.789 61.300 -0.522 0.000 1.463 145 I CB -0.026 37.617 38.000 -0.595 0.000 1.092 145 I HN 0.442 nan 8.210 nan 0.000 0.452 146 V N -0.707 119.185 119.914 -0.036 0.000 2.295 146 V HA -0.102 4.018 4.120 -0.000 0.000 0.246 146 V C 2.501 178.594 176.094 -0.002 0.000 1.049 146 V CA 1.753 64.047 62.300 -0.009 0.000 1.024 146 V CB -2.082 29.764 31.823 0.038 0.000 0.648 146 V HN 0.377 nan 8.190 nan 0.000 0.447 147 G N 0.679 109.515 108.800 0.060 0.000 2.703 147 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.222 147 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.222 147 G C 1.723 176.557 174.900 -0.109 0.000 1.183 147 G CA 2.434 47.578 45.100 0.073 0.000 0.775 147 G HN 1.122 nan 8.290 nan 0.000 0.615 148 A N 0.008 122.753 122.820 -0.124 0.000 1.975 148 A HA 0.290 4.610 4.320 -0.000 0.000 0.215 148 A C 2.431 179.876 177.584 -0.231 0.000 1.170 148 A CA 1.007 52.943 52.037 -0.169 0.000 0.656 148 A CB -0.167 18.795 19.000 -0.064 0.000 0.821 148 A HN 0.415 nan 8.150 nan 0.000 0.449 149 I N 0.226 120.673 120.570 -0.206 0.000 2.286 149 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 149 I C 2.082 178.101 176.117 -0.162 0.000 1.115 149 I CA 1.114 62.306 61.300 -0.180 0.000 1.392 149 I CB -0.463 37.462 38.000 -0.125 0.000 1.065 149 I HN 0.396 nan 8.210 nan 0.000 0.418 150 N N 0.821 119.437 118.700 -0.139 0.000 2.216 150 N HA -0.163 4.577 4.740 -0.000 0.000 0.183 150 N C 1.925 177.274 175.510 -0.269 0.000 1.017 150 N CA 0.711 53.718 53.050 -0.071 0.000 0.861 150 N CB -0.094 38.504 38.487 0.185 0.000 0.986 150 N HN 0.318 nan 8.380 nan 0.000 0.428 151 K N 1.817 121.694 120.400 -0.872 0.000 2.074 151 K HA -0.208 4.112 4.320 -0.000 0.000 0.209 151 K C 1.724 178.072 176.600 -0.420 0.000 1.048 151 K CA 1.370 56.975 56.287 -1.136 0.000 0.926 151 K CB 0.031 31.871 32.500 -1.101 0.000 0.713 151 K HN 0.041 nan 8.250 nan 0.000 0.444 152 E N 0.949 120.960 120.200 -0.315 0.000 2.072 152 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 152 E C 2.110 178.609 176.600 -0.168 0.000 0.985 152 E CA 1.323 57.593 56.400 -0.217 0.000 0.801 152 E CB -0.177 29.395 29.700 -0.213 0.000 0.750 152 E HN 0.256 nan 8.360 nan 0.000 0.452 153 R N -0.213 120.197 120.500 -0.150 0.000 2.091 153 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 153 R C 2.138 178.377 176.300 -0.102 0.000 1.136 153 R CA 1.489 57.515 56.100 -0.124 0.000 0.959 153 R CB -0.416 29.828 30.300 -0.093 0.000 0.856 153 R HN 0.255 nan 8.270 nan 0.000 0.437 154 A N 0.979 123.777 122.820 -0.036 0.000 1.930 154 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 154 A C 2.178 179.771 177.584 0.014 0.000 1.175 154 A CA 1.049 53.114 52.037 0.046 0.000 0.627 154 A CB -0.419 18.748 19.000 0.279 0.000 0.815 154 A HN 0.349 nan 8.150 nan 0.000 0.443 155 L N -1.450 119.761 121.223 -0.020 0.000 2.201 155 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 155 L C 2.558 179.401 176.870 -0.045 0.000 1.105 155 L CA 1.129 55.953 54.840 -0.027 0.000 0.775 155 L CB -0.332 41.696 42.059 -0.051 0.000 0.913 155 L HN 0.274 nan 8.230 nan 0.000 0.440 156 R N -0.305 120.147 120.500 -0.081 0.000 2.307 156 R HA 0.056 4.396 4.340 -0.000 0.000 0.199 156 R C 1.432 177.679 176.300 -0.088 0.000 1.000 156 R CA 0.469 56.510 56.100 -0.099 0.000 1.023 156 R CB 0.072 30.285 30.300 -0.145 0.000 0.908 156 R HN 0.300 nan 8.270 nan 0.000 0.473 157 L N -0.714 120.464 121.223 -0.074 0.000 2.700 157 L HA 0.324 4.664 4.340 -0.000 0.000 0.234 157 L C 0.516 177.427 176.870 0.068 0.000 1.156 157 L CA -0.113 54.698 54.840 -0.049 0.000 0.946 157 L CB 0.790 42.700 42.059 -0.249 0.000 1.216 157 L HN 0.263 nan 8.230 nan 0.000 0.493 158 G N 0.351 109.179 108.800 0.047 0.000 2.368 158 G HA2 0.007 3.967 3.960 -0.000 0.000 0.290 158 G HA3 0.007 3.967 3.960 -0.000 0.000 0.290 158 G C 0.148 175.108 174.900 0.100 0.000 1.098 158 G CA -0.021 45.120 45.100 0.067 0.000 1.073 158 G HN 0.638 nan 8.290 nan 0.000 0.511 159 G N -0.846 108.015 108.800 0.101 0.000 2.494 159 G HA2 0.723 4.683 3.960 -0.000 0.000 0.308 159 G HA3 0.723 4.683 3.960 -0.000 0.000 0.308 159 G C -0.528 174.432 174.900 0.100 0.000 1.263 159 G CA -0.461 44.710 45.100 0.118 0.000 0.840 159 G HN 0.569 nan 8.290 nan 0.000 0.479 160 M N 0.151 119.811 119.600 0.100 0.000 2.705 160 M HA 0.535 5.015 4.480 -0.000 0.000 0.311 160 M C -1.084 175.260 176.300 0.073 0.000 1.214 160 M CA -0.648 54.659 55.300 0.012 0.000 0.920 160 M CB 2.506 35.008 32.600 -0.164 0.000 1.687 160 M HN 0.443 nan 8.290 nan 0.000 0.481 161 F N 1.588 121.473 119.950 -0.108 0.000 2.411 161 F HA 0.587 5.114 4.527 -0.000 0.000 0.350 161 F C -1.740 174.014 175.800 -0.077 0.000 1.114 161 F CA -0.454 57.535 58.000 -0.019 0.000 1.135 161 F CB 0.476 39.457 39.000 -0.031 0.000 1.120 161 F HN 0.286 nan 8.300 nan 0.000 0.495 162 F N 3.755 123.301 119.950 -0.673 0.000 2.546 162 F HA 0.632 5.159 4.527 -0.000 0.000 0.320 162 F C 0.085 175.450 175.800 -0.725 0.000 1.076 162 F CA -0.230 57.473 58.000 -0.494 0.000 0.928 162 F CB 2.208 41.046 39.000 -0.271 0.000 1.189 162 F HN 0.610 nan 8.300 nan 0.000 0.465 163 S N 1.781 117.344 115.700 -0.228 0.000 2.840 163 S HA 0.909 5.379 4.470 -0.000 0.000 0.307 163 S C -1.042 173.515 174.600 -0.071 0.000 1.180 163 S CA -0.704 57.367 58.200 -0.215 0.000 0.846 163 S CB 1.832 64.938 63.200 -0.156 0.000 1.233 163 S HN 0.564 nan 8.310 nan 0.000 0.548 164 I N -1.920 118.621 120.570 -0.050 0.000 3.322 164 I HA 0.703 4.873 4.170 -0.000 0.000 0.313 164 I C -1.500 174.609 176.117 -0.014 0.000 1.129 164 I CA -0.836 60.433 61.300 -0.052 0.000 0.963 164 I CB 1.047 38.980 38.000 -0.111 0.000 1.273 164 I HN 0.404 nan 8.210 nan 0.000 0.473 165 D N 2.332 122.717 120.400 -0.025 0.000 2.313 165 D HA 0.568 5.208 4.640 -0.000 0.000 0.239 165 D C -1.026 175.309 176.300 0.058 0.000 1.142 165 D CA 0.400 54.425 54.000 0.040 0.000 0.847 165 D CB 1.245 42.090 40.800 0.075 0.000 1.082 165 D HN 0.666 nan 8.370 nan 0.000 0.480 166 I N 1.824 122.468 120.570 0.122 0.000 2.610 166 I HA 0.189 4.359 4.170 -0.000 0.000 0.289 166 I C -1.743 174.509 176.117 0.225 0.000 1.163 166 I CA -0.629 60.791 61.300 0.199 0.000 1.044 166 I CB 2.134 40.196 38.000 0.104 0.000 1.251 166 I HN -0.011 nan 8.210 nan 0.000 0.424 167 D N 9.392 129.999 120.400 0.344 0.000 2.458 167 D HA 0.383 5.023 4.640 -0.000 0.000 0.258 167 D C -1.910 174.492 176.300 0.171 0.000 1.134 167 D CA -2.343 51.783 54.000 0.210 0.000 0.915 167 D CB 1.516 42.408 40.800 0.153 0.000 1.028 167 D HN 0.292 nan 8.370 nan 0.000 0.508 168 P HA -0.055 nan 4.420 nan 0.000 0.226 168 P C 1.096 178.446 177.300 0.083 0.000 1.153 168 P CA 0.374 63.517 63.100 0.072 0.000 0.777 168 P CB 0.535 32.214 31.700 -0.036 0.000 0.794 169 R N -1.453 119.122 120.500 0.126 0.000 2.240 169 R HA -0.008 4.332 4.340 -0.000 0.000 0.203 169 R C 2.211 178.597 176.300 0.143 0.000 1.011 169 R CA 0.717 56.893 56.100 0.127 0.000 1.007 169 R CB -0.448 29.944 30.300 0.152 0.000 0.911 169 R HN 0.368 nan 8.270 nan 0.000 0.468 170 W N 0.564 121.802 121.300 -0.104 0.000 2.588 170 W HA -0.023 4.637 4.660 -0.000 0.000 0.277 170 W C 1.166 177.568 176.519 -0.195 0.000 1.221 170 W CA 0.416 57.662 57.345 -0.165 0.000 1.355 170 W CB -0.334 28.983 29.460 -0.237 0.000 1.083 170 W HN -0.214 nan 8.180 nan 0.000 0.581 171 V N 2.746 122.597 119.914 -0.105 0.000 2.278 171 V HA -0.366 3.754 4.120 -0.000 0.000 0.251 171 V C 2.718 178.708 176.094 -0.173 0.000 1.062 171 V CA 2.362 64.562 62.300 -0.166 0.000 1.038 171 V CB -0.929 30.907 31.823 0.022 0.000 0.646 171 V HN -0.011 nan 8.190 nan 0.000 0.447 172 K N 0.302 120.646 120.400 -0.093 0.000 1.973 172 K HA -0.061 4.259 4.320 -0.000 0.000 0.210 172 K C 2.118 178.647 176.600 -0.119 0.000 1.045 172 K CA 1.342 57.585 56.287 -0.073 0.000 0.937 172 K CB -0.604 31.883 32.500 -0.022 0.000 0.721 172 K HN 0.384 nan 8.250 nan 0.000 0.438 173 R N 1.147 121.572 120.500 -0.125 0.000 2.397 173 R HA -0.064 4.276 4.340 -0.000 0.000 0.213 173 R C 1.861 178.022 176.300 -0.232 0.000 1.102 173 R CA 1.200 57.220 56.100 -0.133 0.000 1.040 173 R CB -0.106 30.145 30.300 -0.082 0.000 0.844 173 R HN 0.306 nan 8.270 nan 0.000 0.478 174 S N -0.426 115.079 115.700 -0.324 0.000 2.564 174 S HA 0.043 4.513 4.470 -0.000 0.000 0.231 174 S C 1.950 176.407 174.600 -0.239 0.000 1.067 174 S CA -0.408 57.558 58.200 -0.390 0.000 0.908 174 S CB -0.104 62.671 63.200 -0.708 0.000 0.809 174 S HN 0.260 nan 8.310 nan 0.000 0.491 175 L N 2.311 123.428 121.223 -0.176 0.000 2.095 175 L HA 0.104 4.444 4.340 -0.000 0.000 0.204 175 L C 2.474 179.295 176.870 -0.081 0.000 1.080 175 L CA 1.994 56.772 54.840 -0.104 0.000 0.759 175 L CB -2.265 39.755 42.059 -0.066 0.000 0.914 175 L HN 0.501 nan 8.230 nan 0.000 0.439 176 S N 0.826 116.479 115.700 -0.078 0.000 2.359 176 S HA -0.290 4.180 4.470 -0.000 0.000 0.223 176 S C 1.698 176.255 174.600 -0.071 0.000 1.039 176 S CA 1.706 59.868 58.200 -0.063 0.000 1.042 176 S CB -1.034 62.133 63.200 -0.055 0.000 0.915 176 S HN 0.598 nan 8.310 nan 0.000 0.439 177 E N 1.183 121.323 120.200 -0.099 0.000 2.510 177 E HA 0.114 4.464 4.350 -0.000 0.000 0.202 177 E C 1.303 177.852 176.600 -0.086 0.000 1.072 177 E CA 0.292 56.634 56.400 -0.097 0.000 0.883 177 E CB -0.704 28.917 29.700 -0.131 0.000 0.818 177 E HN 0.845 nan 8.360 nan 0.000 0.548 178 G N 1.620 110.372 108.800 -0.081 0.000 2.179 178 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.260 178 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.260 178 G C 0.006 174.864 174.900 -0.069 0.000 0.977 178 G CA 0.203 45.265 45.100 -0.063 0.000 0.641 178 G HN 0.368 nan 8.290 nan 0.000 0.533 179 D N 0.808 121.148 120.400 -0.101 0.000 2.359 179 D HA 0.365 5.005 4.640 -0.000 0.000 0.250 179 D C 1.485 177.740 176.300 -0.075 0.000 1.264 179 D CA 0.705 54.645 54.000 -0.100 0.000 0.911 179 D CB 0.808 41.519 40.800 -0.149 0.000 1.056 179 D HN 0.115 nan 8.370 nan 0.000 0.499 180 T N 2.660 117.188 114.554 -0.043 0.000 2.588 180 T HA -0.163 4.187 4.350 -0.000 0.000 0.261 180 T C 1.829 176.526 174.700 -0.006 0.000 1.069 180 T CA 1.782 63.869 62.100 -0.022 0.000 1.172 180 T CB 0.031 68.891 68.868 -0.014 0.000 0.863 180 T HN 0.508 nan 8.240 nan 0.000 0.408 181 A N 0.443 123.263 122.820 0.000 0.000 1.940 181 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 181 A C 2.555 180.169 177.584 0.049 0.000 1.176 181 A CA 2.576 54.625 52.037 0.020 0.000 0.631 181 A CB -1.332 17.678 19.000 0.018 0.000 0.814 181 A HN 0.619 nan 8.150 nan 0.000 0.446 182 T N -0.223 114.353 114.554 0.036 0.000 2.643 182 T HA -0.126 4.224 4.350 -0.000 0.000 0.264 182 T C 1.904 176.676 174.700 0.120 0.000 1.045 182 T CA 1.657 63.805 62.100 0.081 0.000 1.155 182 T CB -0.638 68.215 68.868 -0.026 0.000 0.863 182 T HN 0.174 nan 8.240 nan 0.000 0.420 183 V N 1.549 121.487 119.914 0.040 0.000 2.317 183 V HA -0.255 3.865 4.120 -0.000 0.000 0.251 183 V C 2.571 178.755 176.094 0.148 0.000 1.065 183 V CA 1.994 64.344 62.300 0.082 0.000 1.049 183 V CB -0.675 31.158 31.823 0.017 0.000 0.651 183 V HN 0.348 nan 8.190 nan 0.000 0.450 184 R N -0.120 120.445 120.500 0.109 0.000 2.075 184 R HA -0.129 4.211 4.340 -0.000 0.000 0.232 184 R C 2.437 178.830 176.300 0.155 0.000 1.126 184 R CA 1.457 57.622 56.100 0.108 0.000 0.963 184 R CB -0.117 30.217 30.300 0.057 0.000 0.858 184 R HN 0.491 nan 8.270 nan 0.000 0.435 185 K N -0.976 119.523 120.400 0.165 0.000 2.025 185 K HA -0.186 4.134 4.320 -0.000 0.000 0.207 185 K C 1.983 178.769 176.600 0.310 0.000 1.049 185 K CA 1.478 57.879 56.287 0.190 0.000 0.933 185 K CB -0.276 32.316 32.500 0.153 0.000 0.714 185 K HN 0.193 nan 8.250 nan 0.000 0.438 186 Y N 1.916 122.355 120.300 0.231 0.000 2.242 186 Y HA -0.199 4.352 4.550 0.000 0.000 0.291 186 Y C 2.374 178.440 175.900 0.276 0.000 1.137 186 Y CA 1.428 59.714 58.100 0.311 0.000 1.181 186 Y CB -0.182 38.500 38.460 0.370 0.000 0.989 186 Y HN -0.017 nan 8.280 nan 0.000 0.527 187 T N -0.657 114.081 114.554 0.306 0.000 2.746 187 T HA -0.248 4.102 4.350 -0.000 0.000 0.267 187 T C 1.783 176.543 174.700 0.102 0.000 1.039 187 T CA 1.639 63.845 62.100 0.176 0.000 1.142 187 T CB -0.520 68.441 68.868 0.155 0.000 0.866 187 T HN 0.572 nan 8.240 nan 0.000 0.444 188 H N 0.232 119.337 119.070 0.057 0.000 2.289 188 H HA -0.225 4.331 4.556 -0.000 0.000 0.294 188 H C 2.382 177.710 175.328 -0.001 0.000 1.095 188 H CA 2.486 58.554 56.048 0.033 0.000 1.256 188 H CB -0.218 29.580 29.762 0.060 0.000 1.359 188 H HN 0.591 nan 8.280 nan 0.000 0.487 189 H N 0.225 119.258 119.070 -0.062 0.000 2.491 189 H HA -0.017 4.539 4.556 0.000 0.000 0.290 189 H C 2.320 177.496 175.328 -0.253 0.000 1.050 189 H CA 1.289 57.228 56.048 -0.182 0.000 1.309 189 H CB -0.312 29.346 29.762 -0.175 0.000 1.392 189 H HN 0.294 nan 8.280 nan 0.000 0.554 190 L N -0.550 120.403 121.223 -0.450 0.000 2.095 190 L HA -0.051 4.289 4.340 -0.000 0.000 0.204 190 L C 2.425 179.123 176.870 -0.288 0.000 1.080 190 L CA 0.656 55.229 54.840 -0.445 0.000 0.759 190 L CB -0.277 41.626 42.059 -0.261 0.000 0.914 190 L HN 0.195 nan 8.230 nan 0.000 0.439 191 V N -0.092 119.696 119.914 -0.211 0.000 2.515 191 V HA -0.243 3.877 4.120 -0.000 0.000 0.250 191 V C 2.034 178.001 176.094 -0.213 0.000 1.058 191 V CA 1.651 63.849 62.300 -0.170 0.000 1.064 191 V CB -0.465 31.285 31.823 -0.122 0.000 0.675 191 V HN 0.403 nan 8.190 nan 0.000 0.461 192 D N -0.365 119.863 120.400 -0.286 0.000 2.097 192 D HA -0.157 4.483 4.640 -0.000 0.000 0.195 192 D C 2.340 178.522 176.300 -0.196 0.000 0.989 192 D CA 1.137 54.983 54.000 -0.256 0.000 0.827 192 D CB -0.232 40.398 40.800 -0.283 0.000 0.966 192 D HN 0.507 nan 8.370 nan 0.000 0.456 193 Q N 0.333 119.994 119.800 -0.232 0.000 1.985 193 Q HA -0.129 4.211 4.340 -0.000 0.000 0.207 193 Q C 2.445 178.342 176.000 -0.170 0.000 0.996 193 Q CA 1.225 56.907 55.803 -0.201 0.000 0.851 193 Q CB -0.432 28.143 28.738 -0.272 0.000 0.921 193 Q HN 0.170 nan 8.270 nan 0.000 0.418 194 V N 1.446 121.256 119.914 -0.174 0.000 2.332 194 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 194 V C 2.484 178.493 176.094 -0.142 0.000 1.055 194 V CA 2.291 64.502 62.300 -0.148 0.000 1.038 194 V CB -0.822 30.926 31.823 -0.126 0.000 0.651 194 V HN 0.470 nan 8.190 nan 0.000 0.450 195 Q N 0.091 119.810 119.800 -0.135 0.000 2.096 195 Q HA -0.278 4.062 4.340 -0.000 0.000 0.204 195 Q C 2.102 178.032 176.000 -0.118 0.000 0.982 195 Q CA 2.169 57.902 55.803 -0.118 0.000 0.850 195 Q CB -0.154 28.518 28.738 -0.109 0.000 0.901 195 Q HN 0.661 nan 8.270 nan 0.000 0.422 196 N N -0.223 118.405 118.700 -0.120 0.000 2.058 196 N HA -0.108 4.632 4.740 -0.000 0.000 0.191 196 N C 1.764 177.194 175.510 -0.132 0.000 1.037 196 N CA 1.974 54.959 53.050 -0.107 0.000 0.848 196 N CB -0.757 37.674 38.487 -0.093 0.000 1.021 196 N HN 0.235 nan 8.380 nan 0.000 0.422 197 T N 2.037 116.489 114.554 -0.170 0.000 2.746 197 T HA 0.032 4.382 4.350 -0.000 0.000 0.267 197 T C 2.022 176.556 174.700 -0.277 0.000 1.039 197 T CA 0.597 62.542 62.100 -0.259 0.000 1.142 197 T CB -0.204 68.463 68.868 -0.335 0.000 0.866 197 T HN 0.141 nan 8.240 nan 0.000 0.444 198 L N 0.293 121.386 121.223 -0.216 0.000 2.191 198 L HA -0.014 4.326 4.340 -0.000 0.000 0.212 198 L C 2.290 179.068 176.870 -0.152 0.000 1.103 198 L CA 0.786 55.514 54.840 -0.188 0.000 0.769 198 L CB -0.438 41.535 42.059 -0.143 0.000 0.908 198 L HN 0.293 nan 8.230 nan 0.000 0.438 199 M N -1.512 118.009 119.600 -0.132 0.000 2.441 199 M HA 0.055 4.535 4.480 -0.000 0.000 0.244 199 M C 1.102 177.345 176.300 -0.094 0.000 1.122 199 M CA 0.790 56.030 55.300 -0.100 0.000 1.041 199 M CB -0.260 32.292 32.600 -0.080 0.000 1.438 199 M HN 0.263 nan 8.290 nan 0.000 0.484 200 N N -0.465 118.166 118.700 -0.115 0.000 2.257 200 N HA 0.101 4.841 4.740 -0.000 0.000 0.200 200 N C 0.058 175.507 175.510 -0.103 0.000 1.163 200 N CA 0.262 53.258 53.050 -0.091 0.000 0.891 200 N CB 1.334 39.778 38.487 -0.072 0.000 1.067 200 N HN 0.300 nan 8.380 nan 0.000 0.497 201 Q N 0.766 120.461 119.800 -0.175 0.000 2.377 201 Q HA 0.181 4.521 4.340 -0.000 0.000 0.271 201 Q C -1.277 174.614 176.000 -0.180 0.000 1.077 201 Q CA -0.552 55.152 55.803 -0.165 0.000 0.820 201 Q CB 2.164 30.735 28.738 -0.278 0.000 1.347 201 Q HN -0.026 nan 8.270 nan 0.000 0.444 202 D N 2.009 122.344 120.400 -0.109 0.000 2.389 202 D HA 0.076 4.716 4.640 -0.000 0.000 0.263 202 D C -0.738 175.485 176.300 -0.129 0.000 1.255 202 D CA 0.090 54.028 54.000 -0.104 0.000 0.914 202 D CB 0.275 41.039 40.800 -0.059 0.000 1.116 202 D HN 0.203 nan 8.370 nan 0.000 0.502 203 I N 4.748 125.217 120.570 -0.169 0.000 2.330 203 I HA 0.199 4.369 4.170 -0.000 0.000 0.289 203 I C 1.315 177.319 176.117 -0.189 0.000 1.001 203 I CA -0.555 60.642 61.300 -0.173 0.000 1.193 203 I CB 1.371 39.241 38.000 -0.218 0.000 1.345 203 I HN 0.375 nan 8.210 nan 0.000 0.461 204 R N 4.583 124.951 120.500 -0.221 0.000 2.254 204 R HA 0.247 4.587 4.340 -0.000 0.000 0.195 204 R C -0.768 175.058 176.300 -0.790 0.000 0.957 204 R CA 0.962 56.756 56.100 -0.509 0.000 1.024 204 R CB 0.234 30.157 30.300 -0.629 0.000 0.952 204 R HN 0.338 nan 8.270 nan 0.000 0.484 205 F N -0.187 119.718 119.950 -0.076 0.000 2.585 205 F HA 0.372 4.899 4.527 -0.000 0.000 0.319 205 F C -1.144 174.607 175.800 -0.082 0.000 1.165 205 F CA -1.310 56.642 58.000 -0.081 0.000 0.949 205 F CB 1.818 40.794 39.000 -0.040 0.000 1.218 205 F HN -0.256 nan 8.300 nan 0.000 0.453 206 L N 4.640 125.907 121.223 0.074 0.000 2.356 206 L HA 0.846 5.186 4.340 -0.000 0.000 0.277 206 L C -1.433 175.452 176.870 0.025 0.000 0.996 206 L CA -0.652 54.194 54.840 0.010 0.000 0.822 206 L CB 1.731 43.760 42.059 -0.051 0.000 1.256 206 L HN 0.342 nan 8.230 nan 0.000 0.413 207 V N 5.019 124.953 119.914 0.032 0.000 2.384 207 V HA 0.789 4.909 4.120 -0.000 0.000 0.287 207 V C 0.163 176.277 176.094 0.034 0.000 1.020 207 V CA -0.062 62.266 62.300 0.047 0.000 0.850 207 V CB 1.031 32.900 31.823 0.077 0.000 0.987 207 V HN 0.974 nan 8.190 nan 0.000 0.436 208 T N 2.793 117.373 114.554 0.042 0.000 2.627 208 T HA 0.679 5.029 4.350 -0.000 0.000 0.294 208 T C -0.782 173.955 174.700 0.062 0.000 1.230 208 T CA 0.405 62.528 62.100 0.039 0.000 1.084 208 T CB 1.925 70.804 68.868 0.019 0.000 1.693 208 T HN 0.868 nan 8.240 nan 0.000 0.465 209 T N -0.414 114.177 114.554 0.061 0.000 2.883 209 T HA 0.586 4.936 4.350 -0.000 0.000 0.301 209 T C -2.470 172.272 174.700 0.070 0.000 1.158 209 T CA -1.423 60.721 62.100 0.073 0.000 1.007 209 T CB 1.426 70.334 68.868 0.066 0.000 1.186 209 T HN 0.267 nan 8.240 nan 0.000 0.499 210 P HA -0.030 nan 4.420 nan 0.000 0.216 210 P C -1.608 175.721 177.300 0.049 0.000 1.157 210 P CA 1.490 64.628 63.100 0.064 0.000 0.880 210 P CB -1.144 30.591 31.700 0.058 0.000 0.791 211 P HA -0.119 nan 4.420 nan 0.000 0.215 211 P C 1.623 178.945 177.300 0.037 0.000 1.157 211 P CA 1.176 64.300 63.100 0.040 0.000 0.868 211 P CB -0.465 31.264 31.700 0.047 0.000 0.788 212 V N -0.462 119.474 119.914 0.037 0.000 2.358 212 V HA -0.193 3.927 4.120 -0.000 0.000 0.246 212 V C 2.375 178.480 176.094 0.018 0.000 1.047 212 V CA 1.441 63.753 62.300 0.021 0.000 1.035 212 V CB -1.289 30.542 31.823 0.013 0.000 0.658 212 V HN 0.053 nan 8.190 nan 0.000 0.452 213 L N 0.469 121.713 121.223 0.035 0.000 2.079 213 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 213 L C 2.489 179.381 176.870 0.037 0.000 1.081 213 L CA 2.061 56.927 54.840 0.044 0.000 0.752 213 L CB -0.817 41.290 42.059 0.079 0.000 0.896 213 L HN 0.220 nan 8.230 nan 0.000 0.433 214 R N -0.976 119.544 120.500 0.032 0.000 2.066 214 R HA -0.163 4.177 4.340 -0.000 0.000 0.232 214 R C 2.217 178.526 176.300 0.016 0.000 1.131 214 R CA 1.152 57.265 56.100 0.022 0.000 0.955 214 R CB -0.158 30.152 30.300 0.017 0.000 0.851 214 R HN 0.277 nan 8.270 nan 0.000 0.432 215 E N 0.976 121.187 120.200 0.018 0.000 2.049 215 E HA -0.200 4.150 4.350 -0.000 0.000 0.198 215 E C 1.974 178.577 176.600 0.005 0.000 1.007 215 E CA 1.567 57.977 56.400 0.015 0.000 0.809 215 E CB -0.385 29.324 29.700 0.016 0.000 0.749 215 E HN 0.372 nan 8.360 nan 0.000 0.450 216 L N -0.036 121.185 121.223 -0.003 0.000 2.079 216 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 216 L C 2.444 179.315 176.870 0.001 0.000 1.081 216 L CA 0.814 55.647 54.840 -0.012 0.000 0.752 216 L CB -0.485 41.563 42.059 -0.017 0.000 0.896 216 L HN 0.146 nan 8.230 nan 0.000 0.433 217 L N -0.022 121.209 121.223 0.014 0.000 2.549 217 L HA -0.156 4.184 4.340 -0.000 0.000 0.230 217 L C 1.718 178.596 176.870 0.014 0.000 1.162 217 L CA 0.986 55.839 54.840 0.022 0.000 0.834 217 L CB -0.456 41.626 42.059 0.037 0.000 0.947 217 L HN 0.311 nan 8.230 nan 0.000 0.452 218 K N 0.338 120.743 120.400 0.008 0.000 2.437 218 K HA 0.150 4.470 4.320 -0.000 0.000 0.198 218 K C 0.170 176.774 176.600 0.007 0.000 1.024 218 K CA 0.020 56.311 56.287 0.007 0.000 1.148 218 K CB 0.336 32.841 32.500 0.008 0.000 0.860 218 K HN 0.149 nan 8.250 nan 0.000 0.515 219 R N 0.762 121.263 120.500 0.002 0.000 2.407 219 R HA 0.154 4.494 4.340 -0.000 0.000 0.298 219 R C -2.235 174.062 176.300 -0.004 0.000 1.166 219 R CA -1.939 54.159 56.100 -0.002 0.000 1.006 219 R CB 1.181 31.474 30.300 -0.013 0.000 1.145 219 R HN -0.118 nan 8.270 nan 0.000 0.538 220 P HA -0.287 nan 4.420 nan 0.000 0.218 220 P C 0.403 177.698 177.300 -0.008 0.000 1.165 220 P CA 1.613 64.712 63.100 -0.001 0.000 0.922 220 P CB 0.364 32.064 31.700 -0.000 0.000 0.794 221 E N -1.026 119.167 120.200 -0.013 0.000 2.110 221 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 221 E C 1.940 178.524 176.600 -0.027 0.000 0.988 221 E CA 1.112 57.501 56.400 -0.020 0.000 0.804 221 E CB -0.584 29.102 29.700 -0.023 0.000 0.745 221 E HN 0.062 nan 8.360 nan 0.000 0.458 222 V N 0.807 120.704 119.914 -0.029 0.000 2.358 222 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 222 V C 2.327 178.404 176.094 -0.028 0.000 1.047 222 V CA 1.355 63.632 62.300 -0.037 0.000 1.035 222 V CB -0.514 31.286 31.823 -0.039 0.000 0.658 222 V HN 0.136 nan 8.190 nan 0.000 0.452 223 V N -0.110 119.795 119.914 -0.014 0.000 2.255 223 V HA -0.316 3.804 4.120 -0.000 0.000 0.247 223 V C 2.387 178.476 176.094 -0.010 0.000 1.051 223 V CA 2.219 64.517 62.300 -0.003 0.000 1.018 223 V CB -0.737 31.093 31.823 0.011 0.000 0.641 223 V HN 0.420 nan 8.190 nan 0.000 0.445 224 L N -0.463 120.752 121.223 -0.013 0.000 2.021 224 L HA -0.326 4.014 4.340 -0.000 0.000 0.215 224 L C 2.742 179.594 176.870 -0.029 0.000 1.074 224 L CA 2.331 57.161 54.840 -0.018 0.000 0.760 224 L CB -0.520 41.528 42.059 -0.018 0.000 0.889 224 L HN 0.411 nan 8.230 nan 0.000 0.433 225 Q N -0.321 119.456 119.800 -0.037 0.000 2.050 225 Q HA -0.232 4.108 4.340 -0.000 0.000 0.202 225 Q C 2.255 178.219 176.000 -0.060 0.000 0.980 225 Q CA 1.789 57.560 55.803 -0.052 0.000 0.840 225 Q CB -0.155 28.546 28.738 -0.061 0.000 0.898 225 Q HN 0.361 nan 8.270 nan 0.000 0.424 226 M N -0.051 119.517 119.600 -0.054 0.000 2.106 226 M HA -0.253 4.227 4.480 -0.000 0.000 0.259 226 M C 1.989 178.257 176.300 -0.053 0.000 1.068 226 M CA 1.859 57.124 55.300 -0.058 0.000 1.100 226 M CB -0.191 32.386 32.600 -0.037 0.000 1.351 226 M HN 0.108 nan 8.290 nan 0.000 0.404 227 K N -0.500 119.881 120.400 -0.033 0.000 2.152 227 K HA -0.222 4.098 4.320 -0.000 0.000 0.206 227 K C 2.042 178.615 176.600 -0.046 0.000 1.048 227 K CA 1.237 57.507 56.287 -0.028 0.000 0.933 227 K CB -0.098 32.393 32.500 -0.016 0.000 0.721 227 K HN 0.210 nan 8.250 nan 0.000 0.447 228 Q N -0.482 119.285 119.800 -0.055 0.000 2.212 228 Q HA -0.011 4.329 4.340 -0.000 0.000 0.199 228 Q C 1.771 177.722 176.000 -0.083 0.000 0.950 228 Q CA 1.473 57.239 55.803 -0.062 0.000 0.863 228 Q CB 0.539 29.243 28.738 -0.057 0.000 0.944 228 Q HN 0.350 nan 8.270 nan 0.000 0.465 229 S N -2.160 113.478 115.700 -0.103 0.000 2.670 229 S HA 0.244 4.714 4.470 -0.000 0.000 0.241 229 S C 0.404 174.889 174.600 -0.192 0.000 1.077 229 S CA -0.404 57.713 58.200 -0.138 0.000 0.899 229 S CB 0.077 63.198 63.200 -0.132 0.000 0.835 229 S HN 0.139 nan 8.310 nan 0.000 0.481 230 L N 2.810 123.923 121.223 -0.183 0.000 2.456 230 L HA 0.391 4.731 4.340 -0.000 0.000 0.277 230 L C 1.483 178.191 176.870 -0.269 0.000 1.124 230 L CA -0.122 54.573 54.840 -0.242 0.000 0.880 230 L CB 0.771 42.708 42.059 -0.202 0.000 1.192 230 L HN 0.419 nan 8.230 nan 0.000 0.463 231 A N 3.645 126.233 122.820 -0.386 0.000 2.072 231 A HA 0.008 4.328 4.320 -0.000 0.000 0.216 231 A C 0.780 178.205 177.584 -0.265 0.000 1.156 231 A CA 0.830 52.667 52.037 -0.333 0.000 0.701 231 A CB 0.139 18.897 19.000 -0.403 0.000 0.816 231 A HN 0.707 nan 8.150 nan 0.000 0.458 232 Q N -0.257 119.379 119.800 -0.274 0.000 2.507 232 Q HA 0.420 4.760 4.340 -0.000 0.000 0.248 232 Q C -2.344 173.550 176.000 -0.177 0.000 0.941 232 Q CA -0.234 55.454 55.803 -0.191 0.000 1.003 232 Q CB 0.905 29.668 28.738 0.042 0.000 1.517 232 Q HN 0.326 nan 8.270 nan 0.000 0.443 233 I N 2.324 122.658 120.570 -0.392 0.000 2.474 233 I HA 0.472 4.642 4.170 -0.000 0.000 0.294 233 I C -0.182 175.855 176.117 -0.134 0.000 1.005 233 I CA -0.677 60.458 61.300 -0.275 0.000 1.113 233 I CB 2.385 40.121 38.000 -0.440 0.000 1.289 233 I HN 0.477 nan 8.210 nan 0.000 0.436 234 T N 6.461 121.005 114.554 -0.017 0.000 2.770 234 T HA 0.549 4.899 4.350 -0.000 0.000 0.283 234 T C -0.261 174.491 174.700 0.088 0.000 0.988 234 T CA -0.551 61.576 62.100 0.045 0.000 0.957 234 T CB 0.946 69.843 68.868 0.049 0.000 0.930 234 T HN 0.259 nan 8.240 nan 0.000 0.443 235 L N 2.871 124.172 121.223 0.130 0.000 2.295 235 L HA 0.714 5.054 4.340 -0.000 0.000 0.285 235 L C 0.851 177.816 176.870 0.159 0.000 1.035 235 L CA -0.636 54.289 54.840 0.142 0.000 0.806 235 L CB 1.311 43.468 42.059 0.164 0.000 1.214 235 L HN 0.796 nan 8.230 nan 0.000 0.426 236 G N 0.812 109.696 108.800 0.141 0.000 2.511 236 G HA2 0.740 4.700 3.960 -0.000 0.000 0.318 236 G HA3 0.740 4.700 3.960 -0.000 0.000 0.318 236 G C -0.238 174.745 174.900 0.139 0.000 1.210 236 G CA -0.104 45.087 45.100 0.153 0.000 0.969 236 G HN 0.939 nan 8.290 nan 0.000 0.484 237 G N -1.075 107.812 108.800 0.145 0.000 2.582 237 G HA2 0.330 4.290 3.960 -0.000 0.000 0.222 237 G HA3 0.330 4.290 3.960 -0.000 0.000 0.222 237 G C 0.366 175.362 174.900 0.160 0.000 1.311 237 G CA 0.625 45.803 45.100 0.131 0.000 0.915 237 G HN 2.125 nan 8.290 nan 0.000 0.528 238 T N -3.561 111.065 114.554 0.120 0.000 3.769 238 T HA 0.510 4.860 4.350 -0.000 0.000 0.317 238 T C 0.403 175.145 174.700 0.069 0.000 0.931 238 T CA 0.897 63.055 62.100 0.097 0.000 1.005 238 T CB -0.016 68.903 68.868 0.085 0.000 1.202 238 T HN 1.352 nan 8.240 nan 0.000 0.501 239 E N 1.000 121.243 120.200 0.072 0.000 2.869 239 E HA 0.421 4.771 4.350 -0.000 0.000 0.207 239 E C -0.523 176.109 176.600 0.054 0.000 0.986 239 E CA -0.733 55.699 56.400 0.054 0.000 1.131 239 E CB 0.192 29.923 29.700 0.051 0.000 1.098 239 E HN 0.314 nan 8.360 nan 0.000 0.459 240 L N 2.734 123.995 121.223 0.063 0.000 2.264 240 L HA 0.260 4.600 4.340 -0.000 0.000 0.289 240 L C -0.295 176.598 176.870 0.039 0.000 1.044 240 L CA -0.500 54.377 54.840 0.062 0.000 0.807 240 L CB 1.164 43.277 42.059 0.091 0.000 1.192 240 L HN 0.208 nan 8.230 nan 0.000 0.425 241 N N 3.943 122.656 118.700 0.023 0.000 2.437 241 N HA 0.066 4.806 4.740 -0.000 0.000 0.259 241 N C 0.531 176.038 175.510 -0.004 0.000 0.983 241 N CA -0.521 52.534 53.050 0.007 0.000 0.937 241 N CB 1.410 39.896 38.487 -0.003 0.000 1.122 241 N HN 0.570 nan 8.380 nan 0.000 0.499 242 L N 3.651 124.871 121.223 -0.005 0.000 2.046 242 L HA -0.018 4.322 4.340 -0.000 0.000 0.208 242 L C 1.197 178.051 176.870 -0.027 0.000 1.077 242 L CA 1.931 56.760 54.840 -0.018 0.000 0.747 242 L CB -0.555 41.496 42.059 -0.013 0.000 0.896 242 L HN 0.489 nan 8.230 nan 0.000 0.432 243 D N -0.162 120.229 120.400 -0.013 0.000 2.104 243 D HA -0.251 4.389 4.640 -0.000 0.000 0.194 243 D C 2.064 178.371 176.300 0.012 0.000 0.994 243 D CA 1.641 55.642 54.000 0.001 0.000 0.830 243 D CB -0.049 40.756 40.800 0.009 0.000 0.959 243 D HN 0.624 nan 8.370 nan 0.000 0.452 244 E N 0.188 120.379 120.200 -0.014 0.000 2.058 244 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 244 E C 2.307 178.890 176.600 -0.029 0.000 0.997 244 E CA 0.797 57.180 56.400 -0.028 0.000 0.801 244 E CB -0.141 29.532 29.700 -0.045 0.000 0.746 244 E HN 0.236 nan 8.360 nan 0.000 0.450 245 I N 0.828 121.351 120.570 -0.078 0.000 2.226 245 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 245 I C 2.432 178.398 176.117 -0.251 0.000 1.100 245 I CA 1.230 62.408 61.300 -0.203 0.000 1.374 245 I CB -0.211 37.673 38.000 -0.193 0.000 1.057 245 I HN 0.090 nan 8.210 nan 0.000 0.413 246 K N 0.199 120.524 120.400 -0.125 0.000 2.103 246 K HA -0.220 4.100 4.320 -0.000 0.000 0.207 246 K C 2.129 178.683 176.600 -0.076 0.000 1.048 246 K CA 1.699 57.917 56.287 -0.115 0.000 0.930 246 K CB -0.315 32.154 32.500 -0.053 0.000 0.716 246 K HN 0.256 nan 8.250 nan 0.000 0.444 247 F N 1.825 121.688 119.950 -0.145 0.000 2.084 247 F HA -0.166 4.361 4.527 0.000 0.000 0.296 247 F C 2.012 177.741 175.800 -0.118 0.000 1.111 247 F CA 1.146 59.082 58.000 -0.106 0.000 1.224 247 F CB -0.093 38.863 39.000 -0.074 0.000 0.991 247 F HN -0.135 nan 8.300 nan 0.000 0.471 248 I N 0.882 121.607 120.570 0.259 0.000 2.143 248 I HA -0.435 3.735 4.170 -0.000 0.000 0.245 248 I C 2.659 178.729 176.117 -0.079 0.000 1.068 248 I CA 1.617 62.963 61.300 0.078 0.000 1.326 248 I CB -1.072 36.905 38.000 -0.039 0.000 1.028 248 I HN 0.300 nan 8.210 nan 0.000 0.412 249 A N 0.135 122.780 122.820 -0.291 0.000 1.968 249 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 249 A C 2.412 179.948 177.584 -0.079 0.000 1.169 249 A CA 1.907 53.800 52.037 -0.240 0.000 0.638 249 A CB -0.459 18.303 19.000 -0.395 0.000 0.812 249 A HN 0.559 nan 8.150 nan 0.000 0.446 250 S N -1.453 114.158 115.700 -0.150 0.000 2.497 250 S HA 0.079 4.549 4.470 -0.000 0.000 0.221 250 S C 1.159 175.644 174.600 -0.191 0.000 1.037 250 S CA 0.528 58.637 58.200 -0.152 0.000 0.920 250 S CB 0.024 63.115 63.200 -0.182 0.000 0.800 250 S HN 0.438 nan 8.310 nan 0.000 0.505 251 E N 0.410 120.438 120.200 -0.286 0.000 2.489 251 E HA 0.439 4.789 4.350 -0.000 0.000 0.204 251 E C 1.138 177.663 176.600 -0.125 0.000 1.006 251 E CA 0.164 56.364 56.400 -0.332 0.000 0.936 251 E CB 0.552 29.750 29.700 -0.837 0.000 1.002 251 E HN 0.575 nan 8.360 nan 0.000 0.488 252 I N -0.659 119.894 120.570 -0.028 0.000 4.079 252 I HA 0.063 4.233 4.170 -0.000 0.000 0.276 252 I C 0.414 176.566 176.117 0.057 0.000 1.146 252 I CA 0.185 61.515 61.300 0.049 0.000 1.324 252 I CB 0.853 38.927 38.000 0.124 0.000 1.638 252 I HN -0.144 nan 8.210 nan 0.000 0.436 253 L N 3.908 125.191 121.223 0.100 0.000 2.843 253 L HA 0.303 4.643 4.340 -0.000 0.000 0.234 253 L C -1.757 175.185 176.870 0.120 0.000 1.264 253 L CA -0.932 53.980 54.840 0.118 0.000 1.052 253 L CB 0.171 42.349 42.059 0.199 0.000 1.372 253 L HN -0.008 nan 8.230 nan 0.000 0.466 254 P HA -0.070 nan 4.420 nan 0.000 0.242 254 P C 0.120 177.440 177.300 0.033 0.000 1.197 254 P CA 0.788 63.907 63.100 0.032 0.000 0.765 254 P CB 0.455 32.150 31.700 -0.010 0.000 0.936 255 D N -0.721 119.692 120.400 0.023 0.000 2.501 255 D HA 0.095 4.735 4.640 -0.000 0.000 0.226 255 D C -0.291 175.992 176.300 -0.028 0.000 1.198 255 D CA -0.047 53.949 54.000 -0.007 0.000 0.830 255 D CB -0.022 40.760 40.800 -0.029 0.000 1.014 255 D HN 0.099 nan 8.370 nan 0.000 0.496 256 C N 1.182 120.484 119.300 0.004 0.000 2.369 256 C HA 0.408 4.868 4.460 -0.000 0.000 0.322 256 C C 0.235 175.180 174.990 -0.075 0.000 1.258 256 C CA -0.525 58.431 59.018 -0.102 0.000 1.487 256 C CB 0.558 28.205 27.740 -0.154 0.000 2.165 256 C HN 0.150 nan 8.230 nan 0.000 0.483 257 E N 2.612 122.724 120.200 -0.146 0.000 2.312 257 E HA 0.551 4.901 4.350 -0.000 0.000 0.259 257 E C -1.309 175.150 176.600 -0.236 0.000 1.122 257 E CA -0.165 56.223 56.400 -0.020 0.000 0.922 257 E CB 1.014 30.694 29.700 -0.035 0.000 1.109 257 E HN 0.584 nan 8.360 nan 0.000 0.442 258 F N 0.152 120.082 119.950 -0.035 0.000 2.563 258 F HA 0.411 4.938 4.527 -0.000 0.000 0.316 258 F C 0.101 175.878 175.800 -0.038 0.000 1.076 258 F CA -0.442 57.543 58.000 -0.025 0.000 0.921 258 F CB 2.065 41.056 39.000 -0.015 0.000 1.209 258 F HN 0.441 nan 8.300 nan 0.000 0.462 259 S N 0.679 116.459 115.700 0.133 0.000 2.672 259 S HA 0.962 5.432 4.470 -0.000 0.000 0.271 259 S C -1.354 173.303 174.600 0.095 0.000 1.171 259 S CA -0.908 57.336 58.200 0.072 0.000 0.817 259 S CB 1.612 64.815 63.200 0.005 0.000 1.150 259 S HN 0.976 nan 8.310 nan 0.000 0.478 260 A N 0.240 123.102 122.820 0.070 0.000 2.384 260 A HA 0.930 5.250 4.320 -0.000 0.000 0.312 260 A C -0.423 177.322 177.584 0.269 0.000 1.113 260 A CA -0.748 51.385 52.037 0.159 0.000 0.779 260 A CB 1.779 20.871 19.000 0.153 0.000 1.307 260 A HN 1.054 nan 8.150 nan 0.000 0.436 261 S N -0.663 115.242 115.700 0.342 0.000 2.542 261 S HA 0.643 5.113 4.470 -0.000 0.000 0.293 261 S C -1.983 172.881 174.600 0.441 0.000 1.089 261 S CA -0.277 58.143 58.200 0.366 0.000 0.961 261 S CB 1.119 64.458 63.200 0.231 0.000 1.062 261 S HN 0.859 nan 8.310 nan 0.000 0.483 262 Y N 2.651 123.097 120.300 0.244 0.000 2.332 262 Y HA 0.579 5.129 4.550 0.000 0.000 0.326 262 Y C 0.254 176.216 175.900 0.103 0.000 0.978 262 Y CA -0.924 57.215 58.100 0.063 0.000 1.205 262 Y CB 0.863 39.182 38.460 -0.234 0.000 1.131 262 Y HN 0.747 nan 8.280 nan 0.000 0.462 263 G N 2.727 111.325 108.800 -0.336 0.000 2.365 263 G HA2 0.362 4.322 3.960 -0.000 0.000 0.249 263 G HA3 0.362 4.322 3.960 -0.000 0.000 0.249 263 G C -0.500 174.127 174.900 -0.455 0.000 1.288 263 G CA -0.351 44.585 45.100 -0.274 0.000 0.887 263 G HN 0.641 nan 8.290 nan 0.000 0.524 264 S N 1.716 117.312 115.700 -0.173 0.000 2.204 264 S HA 0.164 4.634 4.470 -0.000 0.000 0.178 264 S C 1.572 176.165 174.600 -0.011 0.000 1.493 264 S CA -0.549 57.602 58.200 -0.080 0.000 1.266 264 S CB 0.810 64.064 63.200 0.090 0.000 1.232 264 S HN 0.664 nan 8.310 nan 0.000 0.406 265 T N 1.698 116.225 114.554 -0.045 0.000 2.685 265 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 265 T C 2.268 176.925 174.700 -0.072 0.000 1.034 265 T CA 2.132 64.208 62.100 -0.039 0.000 1.149 265 T CB -0.316 68.527 68.868 -0.041 0.000 0.860 265 T HN 0.600 nan 8.240 nan 0.000 0.449 266 S N 1.324 116.973 115.700 -0.085 0.000 2.389 266 S HA -0.176 4.294 4.470 -0.000 0.000 0.231 266 S C 1.790 176.318 174.600 -0.120 0.000 1.052 266 S CA 1.516 59.633 58.200 -0.139 0.000 1.053 266 S CB -0.384 62.777 63.200 -0.065 0.000 0.886 266 S HN 0.586 nan 8.310 nan 0.000 0.456 267 A N 0.144 122.981 122.820 0.029 0.000 2.500 267 A HA 0.636 4.956 4.320 -0.000 0.000 0.267 267 A C 0.805 178.492 177.584 0.172 0.000 1.290 267 A CA -0.115 52.013 52.037 0.153 0.000 0.928 267 A CB -0.397 18.749 19.000 0.243 0.000 1.066 267 A HN 0.736 nan 8.150 nan 0.000 0.516 268 L N -2.541 118.729 121.223 0.078 0.000 3.754 268 L HA -0.219 4.121 4.340 -0.000 0.000 0.410 268 L C 0.571 177.707 176.870 0.445 0.000 1.230 268 L CA 0.195 55.114 54.840 0.131 0.000 0.901 268 L CB -2.051 39.930 42.059 -0.131 0.000 1.982 268 L HN 0.671 nan 8.230 nan 0.000 0.822 269 G N -0.758 108.223 108.800 0.302 0.000 2.554 269 G HA2 0.683 4.643 3.960 -0.000 0.000 0.306 269 G HA3 0.683 4.643 3.960 -0.000 0.000 0.306 269 G C -1.100 173.900 174.900 0.167 0.000 1.320 269 G CA 0.057 45.327 45.100 0.284 0.000 0.800 269 G HN 0.544 nan 8.290 nan 0.000 0.481 270 V N -2.603 117.419 119.914 0.180 0.000 2.876 270 V HA 0.916 5.036 4.120 -0.000 0.000 0.312 270 V C -0.288 176.010 176.094 0.340 0.000 1.085 270 V CA -0.687 61.733 62.300 0.199 0.000 0.945 270 V CB 1.510 33.427 31.823 0.156 0.000 1.017 270 V HN 0.863 nan 8.190 nan 0.000 0.428 271 S N 2.525 118.487 115.700 0.438 0.000 2.608 271 S HA 0.819 5.289 4.470 -0.000 0.000 0.291 271 S C -0.271 174.720 174.600 0.650 0.000 1.146 271 S CA -0.863 57.706 58.200 0.615 0.000 1.043 271 S CB 1.404 65.043 63.200 0.732 0.000 1.037 271 S HN 1.075 nan 8.310 nan 0.000 0.520 272 R N 0.219 121.116 120.500 0.661 0.000 2.711 272 R HA 0.731 5.071 4.340 -0.000 0.000 0.284 272 R C -0.166 176.298 176.300 0.274 0.000 0.968 272 R CA -0.756 55.586 56.100 0.403 0.000 0.924 272 R CB 1.015 31.415 30.300 0.168 0.000 1.162 272 R HN 0.526 nan 8.270 nan 0.000 0.465 273 S N 2.783 118.523 115.700 0.067 0.000 2.632 273 S HA 0.352 4.822 4.470 -0.000 0.000 0.267 273 S C 0.425 174.972 174.600 -0.088 0.000 1.276 273 S CA -0.945 57.132 58.200 -0.205 0.000 0.998 273 S CB 0.484 63.453 63.200 -0.384 0.000 0.953 273 S HN 0.502 nan 8.310 nan 0.000 0.547 274 L N 0.885 122.046 121.223 -0.104 0.000 2.476 274 L HA 0.241 4.581 4.340 -0.000 0.000 0.255 274 L C 0.300 177.137 176.870 -0.056 0.000 1.218 274 L CA -1.136 53.669 54.840 -0.058 0.000 0.819 274 L CB -0.073 41.959 42.059 -0.043 0.000 1.119 274 L HN 0.530 nan 8.230 nan 0.000 0.485 275 L N 1.958 123.161 121.223 -0.033 0.000 2.584 275 L HA 0.058 4.398 4.340 -0.000 0.000 0.272 275 L C 0.129 176.996 176.870 -0.004 0.000 1.195 275 L CA 0.613 55.446 54.840 -0.012 0.000 0.920 275 L CB -0.256 41.798 42.059 -0.008 0.000 1.173 275 L HN 0.269 nan 8.230 nan 0.000 0.489 276 I N 4.335 124.917 120.570 0.020 0.000 2.322 276 I HA 0.156 4.326 4.170 -0.000 0.000 0.292 276 I C 0.862 176.980 176.117 0.001 0.000 1.060 276 I CA -0.017 61.281 61.300 -0.002 0.000 1.309 276 I CB 0.636 38.637 38.000 0.001 0.000 1.415 276 I HN 0.733 nan 8.210 nan 0.000 0.492 277 T N 0.605 115.146 114.554 -0.021 0.000 2.841 277 T HA 0.231 4.581 4.350 -0.000 0.000 0.276 277 T C 1.077 175.745 174.700 -0.053 0.000 1.003 277 T CA -0.115 61.968 62.100 -0.029 0.000 0.995 277 T CB 1.456 70.316 68.868 -0.014 0.000 1.260 277 T HN 0.469 nan 8.240 nan 0.000 0.581 278 S N -1.022 114.645 115.700 -0.056 0.000 2.555 278 S HA 0.003 4.473 4.470 -0.000 0.000 0.230 278 S C 1.215 175.789 174.600 -0.042 0.000 0.978 278 S CA 0.858 59.022 58.200 -0.060 0.000 0.934 278 S CB -0.517 62.643 63.200 -0.067 0.000 0.766 278 S HN 0.708 nan 8.310 nan 0.000 0.533 279 E N 0.922 121.102 120.200 -0.034 0.000 2.526 279 E HA 0.404 4.754 4.350 -0.000 0.000 0.208 279 E C -0.087 176.499 176.600 -0.024 0.000 0.997 279 E CA -0.136 56.248 56.400 -0.027 0.000 0.961 279 E CB 0.581 30.267 29.700 -0.023 0.000 1.030 279 E HN 0.375 nan 8.360 nan 0.000 0.483 280 S N 0.711 116.394 115.700 -0.029 0.000 2.549 280 S HA 0.049 4.519 4.470 -0.000 0.000 0.279 280 S C 0.752 175.337 174.600 -0.026 0.000 1.321 280 S CA -0.113 58.070 58.200 -0.029 0.000 1.054 280 S CB 0.594 63.772 63.200 -0.036 0.000 0.899 280 S HN 0.352 nan 8.310 nan 0.000 0.497 281 Q N 2.325 122.112 119.800 -0.022 0.000 2.189 281 Q HA 0.306 4.646 4.340 -0.000 0.000 0.223 281 Q C -0.375 175.617 176.000 -0.014 0.000 0.828 281 Q CA -0.188 55.606 55.803 -0.017 0.000 0.967 281 Q CB 0.382 29.112 28.738 -0.012 0.000 1.139 281 Q HN 0.710 nan 8.270 nan 0.000 0.497 282 Q N -0.055 119.734 119.800 -0.019 0.000 2.630 282 Q HA 0.489 4.829 4.340 -0.000 0.000 0.295 282 Q C -1.429 174.548 176.000 -0.038 0.000 0.944 282 Q CA -0.908 54.886 55.803 -0.015 0.000 0.766 282 Q CB 2.347 31.083 28.738 -0.004 0.000 1.471 282 Q HN -0.005 nan 8.270 nan 0.000 0.416 283 V N 1.668 121.557 119.914 -0.042 0.000 2.465 283 V HA 0.393 4.513 4.120 -0.000 0.000 0.279 283 V C -0.494 175.491 176.094 -0.180 0.000 1.045 283 V CA -0.270 61.951 62.300 -0.132 0.000 0.938 283 V CB 0.704 32.458 31.823 -0.114 0.000 0.986 283 V HN 0.493 nan 8.190 nan 0.000 0.467 284 I N 4.979 125.385 120.570 -0.272 0.000 2.474 284 I HA 0.519 4.689 4.170 -0.000 0.000 0.294 284 I C -0.801 175.161 176.117 -0.259 0.000 1.005 284 I CA -0.211 60.999 61.300 -0.150 0.000 1.113 284 I CB 1.773 39.740 38.000 -0.055 0.000 1.289 284 I HN 0.455 nan 8.210 nan 0.000 0.436 285 Y N 3.524 123.866 120.300 0.071 0.000 2.468 285 Y HA 0.576 5.126 4.550 0.000 0.000 0.342 285 Y C -0.413 175.630 175.900 0.238 0.000 1.021 285 Y CA -0.889 57.301 58.100 0.151 0.000 1.079 285 Y CB 1.499 40.035 38.460 0.127 0.000 1.226 285 Y HN 0.418 nan 8.280 nan 0.000 0.460 286 D N 0.483 121.184 120.400 0.503 0.000 2.342 286 D HA 0.390 5.030 4.640 -0.000 0.000 0.243 286 D C -0.707 176.006 176.300 0.689 0.000 1.019 286 D CA -0.451 53.873 54.000 0.539 0.000 0.864 286 D CB 2.139 43.227 40.800 0.480 0.000 1.315 286 D HN 0.487 nan 8.370 nan 0.000 0.468 287 S N 0.147 116.147 115.700 0.502 0.000 2.681 287 S HA 0.484 4.954 4.470 -0.000 0.000 0.299 287 S C -0.377 174.108 174.600 -0.191 0.000 1.113 287 S CA -0.775 57.535 58.200 0.184 0.000 1.013 287 S CB 1.088 64.228 63.200 -0.100 0.000 1.076 287 S HN 0.301 nan 8.310 nan 0.000 0.534 288 F N 3.265 122.660 119.950 -0.926 0.000 2.566 288 F HA 0.480 5.007 4.527 -0.000 0.000 0.349 288 F C 0.418 175.962 175.800 -0.426 0.000 1.245 288 F CA -0.959 56.240 58.000 -1.335 0.000 1.169 288 F CB -0.493 37.684 39.000 -1.371 0.000 1.470 288 F HN 0.654 nan 8.300 nan 0.000 0.634 289 S N 6.407 121.923 115.700 -0.307 0.000 2.565 289 S HA 0.408 4.878 4.470 -0.000 0.000 0.274 289 S C -1.446 172.834 174.600 -0.533 0.000 1.309 289 S CA -1.245 56.762 58.200 -0.322 0.000 1.043 289 S CB 1.035 64.160 63.200 -0.125 0.000 0.939 289 S HN 0.513 nan 8.310 nan 0.000 0.504 290 P HA 0.158 nan 4.420 nan 0.000 0.251 290 P C 0.926 177.816 177.300 -0.683 0.000 1.223 290 P CA 0.269 62.901 63.100 -0.779 0.000 0.796 290 P CB -0.075 30.959 31.700 -1.111 0.000 1.068 291 F N 0.704 120.316 119.950 -0.565 0.000 2.063 291 F HA -0.126 4.401 4.527 -0.000 0.000 0.298 291 F C 1.563 177.162 175.800 -0.336 0.000 1.109 291 F CA 1.268 59.031 58.000 -0.395 0.000 1.212 291 F CB -0.994 37.760 39.000 -0.410 0.000 0.973 291 F HN -0.159 nan 8.300 nan 0.000 0.480 292 I N -0.203 120.311 120.570 -0.093 0.000 2.465 292 I HA 0.374 4.544 4.170 -0.000 0.000 0.291 292 I C -0.520 175.462 176.117 -0.225 0.000 1.014 292 I CA -0.533 60.712 61.300 -0.092 0.000 1.093 292 I CB 1.927 39.925 38.000 -0.004 0.000 1.267 292 I HN -0.076 nan 8.210 nan 0.000 0.431 293 T N 1.395 115.806 114.554 -0.237 0.000 2.933 293 T HA 0.574 4.924 4.350 -0.000 0.000 0.305 293 T C -1.140 173.436 174.700 -0.206 0.000 1.092 293 T CA -0.802 61.174 62.100 -0.206 0.000 1.008 293 T CB 1.332 70.155 68.868 -0.075 0.000 1.102 293 T HN 0.173 nan 8.240 nan 0.000 0.469 294 Y N 0.929 121.297 120.300 0.113 0.000 2.387 294 Y HA 0.688 5.238 4.550 -0.000 0.000 0.336 294 Y C 0.237 176.199 175.900 0.104 0.000 1.067 294 Y CA -0.936 57.235 58.100 0.119 0.000 1.114 294 Y CB 1.610 40.150 38.460 0.132 0.000 1.208 294 Y HN 0.756 nan 8.280 nan 0.000 0.458 295 D N 0.735 121.306 120.400 0.285 0.000 2.350 295 D HA 0.670 5.310 4.640 -0.000 0.000 0.238 295 D C -1.536 174.860 176.300 0.161 0.000 0.989 295 D CA -0.439 53.672 54.000 0.185 0.000 0.921 295 D CB 2.230 43.110 40.800 0.133 0.000 1.297 295 D HN 0.243 nan 8.370 nan 0.000 0.490 296 V N 2.249 122.226 119.914 0.104 0.000 2.482 296 V HA 0.504 4.624 4.120 -0.000 0.000 0.295 296 V C -0.162 175.957 176.094 0.041 0.000 1.026 296 V CA -0.798 61.541 62.300 0.065 0.000 0.856 296 V CB 1.422 33.279 31.823 0.056 0.000 1.001 296 V HN 0.480 nan 8.190 nan 0.000 0.424 297 V N 0.743 120.679 119.914 0.036 0.000 3.078 297 V HA 0.748 4.868 4.120 -0.000 0.000 0.311 297 V C -0.641 175.465 176.094 0.019 0.000 1.138 297 V CA -0.902 61.413 62.300 0.026 0.000 1.007 297 V CB 2.154 33.998 31.823 0.034 0.000 1.045 297 V HN 0.782 nan 8.190 nan 0.000 0.432 298 D N 2.078 122.486 120.400 0.012 0.000 2.424 298 D HA 0.270 4.910 4.640 -0.000 0.000 0.244 298 D C 1.369 177.677 176.300 0.013 0.000 1.134 298 D CA 0.738 54.744 54.000 0.009 0.000 0.881 298 D CB 1.806 42.608 40.800 0.004 0.000 1.191 298 D HN 0.875 nan 8.370 nan 0.000 0.445 299 S N 3.501 119.208 115.700 0.012 0.000 2.481 299 S HA -0.097 4.373 4.470 -0.000 0.000 0.231 299 S C 1.754 176.362 174.600 0.012 0.000 0.996 299 S CA 0.038 58.246 58.200 0.014 0.000 0.942 299 S CB -0.024 63.182 63.200 0.011 0.000 0.768 299 S HN 0.527 nan 8.310 nan 0.000 0.520 300 I N 2.689 123.266 120.570 0.010 0.000 2.385 300 I HA 0.015 4.185 4.170 -0.000 0.000 0.244 300 I C 2.388 178.511 176.117 0.010 0.000 1.089 300 I CA 1.814 63.119 61.300 0.009 0.000 1.410 300 I CB -1.231 36.773 38.000 0.007 0.000 1.117 300 I HN 0.569 nan 8.210 nan 0.000 0.429 301 T N -1.899 112.660 114.554 0.009 0.000 3.182 301 T HA 0.501 4.851 4.350 -0.000 0.000 0.277 301 T C 1.076 175.782 174.700 0.009 0.000 1.013 301 T CA 0.398 62.502 62.100 0.007 0.000 0.900 301 T CB 0.171 69.041 68.868 0.003 0.000 1.098 301 T HN 0.361 nan 8.240 nan 0.000 0.543 302 A N 0.461 123.289 122.820 0.014 0.000 2.799 302 A HA -0.180 4.140 4.320 -0.000 0.000 0.274 302 A C 0.473 178.067 177.584 0.016 0.000 1.393 302 A CA 1.123 53.171 52.037 0.019 0.000 0.909 302 A CB -1.915 17.099 19.000 0.022 0.000 1.012 302 A HN 0.590 nan 8.150 nan 0.000 0.653 303 Q N 0.819 120.624 119.800 0.008 0.000 2.303 303 Q HA 0.382 4.722 4.340 -0.000 0.000 0.257 303 Q C 0.117 176.115 176.000 -0.003 0.000 0.941 303 Q CA 0.268 56.071 55.803 0.000 0.000 0.931 303 Q CB 1.050 29.784 28.738 -0.007 0.000 1.215 303 Q HN 0.492 nan 8.270 nan 0.000 0.437 304 T N 2.031 116.582 114.554 -0.005 0.000 2.765 304 T HA 0.042 4.392 4.350 -0.000 0.000 0.275 304 T C 0.822 175.497 174.700 -0.042 0.000 1.007 304 T CA 0.080 62.171 62.100 -0.016 0.000 1.175 304 T CB -0.309 68.543 68.868 -0.026 0.000 0.993 304 T HN 0.459 nan 8.240 nan 0.000 0.510 305 V N 1.479 121.371 119.914 -0.036 0.000 3.336 305 V HA 0.550 4.670 4.120 -0.000 0.000 0.304 305 V C 0.456 176.492 176.094 -0.096 0.000 1.073 305 V CA -1.031 61.242 62.300 -0.044 0.000 1.074 305 V CB 1.023 32.837 31.823 -0.014 0.000 1.161 305 V HN 0.692 nan 8.190 nan 0.000 0.460 306 E N 0.362 120.514 120.200 -0.080 0.000 2.392 306 E HA 0.327 4.677 4.350 -0.000 0.000 0.259 306 E C -0.880 175.685 176.600 -0.059 0.000 1.108 306 E CA -0.072 56.254 56.400 -0.123 0.000 0.916 306 E CB 0.225 29.895 29.700 -0.049 0.000 0.989 306 E HN 0.664 nan 8.360 nan 0.000 0.432 307 Y N 0.625 120.937 120.300 0.020 0.000 2.652 307 Y HA 0.168 4.718 4.550 -0.000 0.000 0.344 307 Y C 1.874 177.784 175.900 0.017 0.000 1.254 307 Y CA 1.222 59.335 58.100 0.022 0.000 1.480 307 Y CB 0.222 38.695 38.460 0.021 0.000 1.345 307 Y HN 0.713 nan 8.280 nan 0.000 0.617 308 G N 0.950 109.884 108.800 0.223 0.000 2.245 308 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.264 308 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.264 308 G C -0.000 174.947 174.900 0.078 0.000 0.985 308 G CA 0.435 45.604 45.100 0.114 0.000 0.625 308 G HN 0.672 nan 8.290 nan 0.000 0.536 309 E N -0.354 119.891 120.200 0.075 0.000 2.232 309 E HA 0.737 5.087 4.350 -0.000 0.000 0.264 309 E C 0.122 176.743 176.600 0.034 0.000 0.973 309 E CA -1.255 55.171 56.400 0.043 0.000 0.849 309 E CB 1.540 31.256 29.700 0.028 0.000 1.198 309 E HN 0.289 nan 8.360 nan 0.000 0.407 310 R N 0.215 120.728 120.500 0.021 0.000 2.410 310 R HA 0.555 4.895 4.340 -0.000 0.000 0.288 310 R C -0.412 175.893 176.300 0.009 0.000 1.051 310 R CA 0.061 56.169 56.100 0.012 0.000 1.021 310 R CB 0.863 31.167 30.300 0.007 0.000 1.032 310 R HN 0.733 nan 8.270 nan 0.000 0.481 311 G N 1.707 110.510 108.800 0.005 0.000 2.619 311 G HA2 0.179 4.139 3.960 -0.000 0.000 0.305 311 G HA3 0.179 4.139 3.960 -0.000 0.000 0.305 311 G C -1.677 173.225 174.900 0.003 0.000 1.330 311 G CA -0.778 44.326 45.100 0.008 0.000 0.789 311 G HN 0.541 nan 8.290 nan 0.000 0.487 312 N N -0.230 118.479 118.700 0.014 0.000 2.421 312 N HA 0.486 5.226 4.740 -0.000 0.000 0.285 312 N C -0.060 175.469 175.510 0.031 0.000 1.027 312 N CA -0.390 52.671 53.050 0.019 0.000 0.918 312 N CB 2.064 40.568 38.487 0.028 0.000 1.152 312 N HN 0.281 nan 8.380 nan 0.000 0.485 313 V N 3.049 122.978 119.914 0.025 0.000 2.479 313 V HA 0.149 4.269 4.120 -0.000 0.000 0.281 313 V C 0.345 176.511 176.094 0.121 0.000 1.031 313 V CA -0.124 62.205 62.300 0.047 0.000 1.038 313 V CB -0.119 31.701 31.823 -0.004 0.000 0.981 313 V HN 0.456 nan 8.190 nan 0.000 0.478 314 I N 5.663 126.334 120.570 0.169 0.000 2.389 314 I HA 0.467 4.637 4.170 -0.000 0.000 0.288 314 I C -0.225 176.061 176.117 0.281 0.000 0.999 314 I CA 0.111 61.524 61.300 0.189 0.000 1.129 314 I CB 1.837 39.921 38.000 0.141 0.000 1.288 314 I HN 0.418 nan 8.210 nan 0.000 0.444 315 V N 6.186 126.256 119.914 0.260 0.000 2.715 315 V HA 0.704 4.824 4.120 -0.000 0.000 0.310 315 V C -0.616 175.570 176.094 0.153 0.000 1.054 315 V CA -0.037 62.411 62.300 0.246 0.000 0.928 315 V CB 2.367 34.372 31.823 0.304 0.000 1.007 315 V HN 0.782 nan 8.190 nan 0.000 0.437 316 T N 4.625 119.242 114.554 0.106 0.000 2.890 316 T HA 0.361 4.711 4.350 -0.000 0.000 0.295 316 T C -1.146 173.639 174.700 0.141 0.000 0.993 316 T CA -0.204 61.974 62.100 0.129 0.000 0.979 316 T CB 0.576 69.514 68.868 0.118 0.000 0.967 316 T HN 0.865 nan 8.240 nan 0.000 0.441 317 H N 3.324 122.471 119.070 0.128 0.000 2.552 317 H HA 0.690 5.246 4.556 0.000 0.000 0.311 317 H C -0.865 174.575 175.328 0.187 0.000 1.071 317 H CA -0.737 55.395 56.048 0.140 0.000 1.307 317 H CB 0.515 30.372 29.762 0.159 0.000 1.416 317 H HN 0.423 nan 8.280 nan 0.000 0.464 318 L N 5.763 126.880 121.223 -0.177 0.000 2.504 318 L HA 0.373 4.713 4.340 -0.000 0.000 0.265 318 L C -1.243 175.575 176.870 -0.087 0.000 0.975 318 L CA -0.171 54.639 54.840 -0.050 0.000 0.864 318 L CB 0.970 42.993 42.059 -0.060 0.000 1.212 318 L HN 0.811 nan 8.230 nan 0.000 0.416 319 S N 3.581 119.300 115.700 0.032 0.000 2.651 319 S HA 0.663 5.133 4.470 -0.000 0.000 0.279 319 S C -2.540 172.192 174.600 0.221 0.000 1.148 319 S CA -1.146 57.267 58.200 0.356 0.000 0.837 319 S CB 2.069 65.597 63.200 0.548 0.000 1.138 319 S HN 0.333 nan 8.310 nan 0.000 0.478 320 P HA 0.010 nan 4.420 nan 0.000 0.222 320 P C 0.859 177.943 177.300 -0.360 0.000 1.147 320 P CA 1.027 63.696 63.100 -0.718 0.000 0.790 320 P CB -0.086 30.759 31.700 -1.424 0.000 0.780 321 W N -0.278 121.093 121.300 0.118 0.000 2.737 321 W HA 0.475 5.135 4.660 -0.000 0.000 0.262 321 W C 0.529 177.207 176.519 0.265 0.000 1.282 321 W CA 0.404 57.793 57.345 0.072 0.000 1.386 321 W CB 0.083 29.611 29.460 0.113 0.000 1.099 321 W HN -0.105 nan 8.180 nan 0.000 0.621 322 A N -0.259 122.895 122.820 0.556 0.000 2.590 322 A HA 0.476 4.796 4.320 -0.000 0.000 0.296 322 A C -2.161 175.584 177.584 0.270 0.000 1.050 322 A CA -0.545 51.700 52.037 0.348 0.000 0.697 322 A CB 0.936 19.996 19.000 0.099 0.000 1.277 322 A HN -0.057 nan 8.150 nan 0.000 0.411 323 F N 2.005 121.764 119.950 -0.318 0.000 2.507 323 F HA 0.785 5.312 4.527 0.000 0.000 0.328 323 F C -2.003 173.495 175.800 -0.504 0.000 1.136 323 F CA -1.654 56.043 58.000 -0.506 0.000 0.930 323 F CB 1.372 39.691 39.000 -1.135 0.000 1.166 323 F HN 0.437 nan 8.300 nan 0.000 0.436 324 Y N 6.791 127.046 120.300 -0.076 0.000 2.488 324 Y HA 0.409 4.959 4.550 -0.000 0.000 0.330 324 Y C -2.596 173.110 175.900 -0.322 0.000 1.013 324 Y CA -2.741 55.252 58.100 -0.178 0.000 1.304 324 Y CB 1.260 39.733 38.460 0.023 0.000 1.098 324 Y HN 0.364 nan 8.280 nan 0.000 0.498 325 P HA 0.286 nan 4.420 nan 0.000 0.290 325 P C -0.265 177.062 177.300 0.045 0.000 1.276 325 P CA -0.406 62.549 63.100 -0.242 0.000 0.808 325 P CB 1.283 32.749 31.700 -0.390 0.000 0.966 326 R N -0.196 120.368 120.500 0.107 0.000 3.418 326 R HA -0.069 4.271 4.340 -0.000 0.000 0.274 326 R C -0.666 175.710 176.300 0.127 0.000 1.108 326 R CA 0.210 56.391 56.100 0.135 0.000 0.741 326 R CB -3.012 27.386 30.300 0.163 0.000 1.223 326 R HN 0.364 nan 8.270 nan 0.000 0.434 327 V N 0.835 120.821 119.914 0.121 0.000 2.446 327 V HA 0.304 4.424 4.120 -0.000 0.000 0.276 327 V C 1.539 177.694 176.094 0.101 0.000 1.030 327 V CA -0.053 62.306 62.300 0.099 0.000 1.033 327 V CB 1.179 33.047 31.823 0.075 0.000 0.993 327 V HN 0.424 nan 8.190 nan 0.000 0.477 328 A N 4.932 127.800 122.820 0.080 0.000 2.526 328 A HA 0.154 4.474 4.320 -0.000 0.000 0.267 328 A C 0.543 178.167 177.584 0.067 0.000 1.095 328 A CA 0.075 52.156 52.037 0.072 0.000 0.775 328 A CB -0.351 18.679 19.000 0.050 0.000 1.036 328 A HN 0.889 nan 8.150 nan 0.000 0.510 329 E N 1.205 121.460 120.200 0.091 0.000 2.345 329 E HA 0.228 4.578 4.350 -0.000 0.000 0.259 329 E C 0.302 176.941 176.600 0.065 0.000 1.117 329 E CA -0.537 55.912 56.400 0.081 0.000 0.913 329 E CB 0.732 30.506 29.700 0.123 0.000 1.057 329 E HN 0.622 nan 8.360 nan 0.000 0.432 330 R N 1.550 122.083 120.500 0.055 0.000 2.752 330 R HA 0.140 4.480 4.340 -0.000 0.000 0.279 330 R C -0.717 175.612 176.300 0.047 0.000 1.212 330 R CA 0.154 56.278 56.100 0.040 0.000 1.169 330 R CB 0.007 30.323 30.300 0.026 0.000 1.286 330 R HN 0.369 nan 8.270 nan 0.000 0.564 331 D N 0.200 120.634 120.400 0.058 0.000 2.581 331 D HA 0.163 4.803 4.640 -0.000 0.000 0.232 331 D C -0.146 176.152 176.300 -0.002 0.000 1.143 331 D CA -0.406 53.614 54.000 0.033 0.000 0.881 331 D CB 2.261 43.093 40.800 0.053 0.000 1.500 331 D HN -0.008 nan 8.370 nan 0.000 0.458 332 T N -2.081 112.458 114.554 -0.025 0.000 2.929 332 T HA 0.832 5.182 4.350 -0.000 0.000 0.284 332 T C -0.336 174.317 174.700 -0.078 0.000 1.014 332 T CA -0.698 61.380 62.100 -0.036 0.000 1.051 332 T CB 1.962 70.820 68.868 -0.016 0.000 1.028 332 T HN 0.545 nan 8.240 nan 0.000 0.485 333 A N 1.647 124.422 122.820 -0.074 0.000 2.606 333 A HA 0.696 5.016 4.320 -0.000 0.000 0.293 333 A C -0.908 176.658 177.584 -0.030 0.000 1.082 333 A CA -1.069 50.915 52.037 -0.089 0.000 0.685 333 A CB 1.013 19.904 19.000 -0.183 0.000 1.284 333 A HN 0.905 nan 8.150 nan 0.000 0.408 334 I N 1.436 122.002 120.570 -0.006 0.000 2.441 334 I HA 0.249 4.419 4.170 -0.000 0.000 0.287 334 I C 0.975 177.128 176.117 0.059 0.000 1.049 334 I CA -0.020 61.298 61.300 0.030 0.000 1.381 334 I CB 0.835 38.855 38.000 0.033 0.000 1.409 334 I HN 0.640 nan 8.210 nan 0.000 0.523 335 R N 7.208 127.768 120.500 0.100 0.000 2.340 335 R HA 0.596 4.936 4.340 -0.000 0.000 0.300 335 R C -1.377 175.084 176.300 0.269 0.000 1.069 335 R CA -0.241 55.967 56.100 0.180 0.000 0.984 335 R CB 0.517 30.928 30.300 0.184 0.000 1.003 335 R HN 0.597 nan 8.270 nan 0.000 0.459 336 L N 5.808 127.163 121.223 0.219 0.000 2.409 336 L HA 0.481 4.821 4.340 -0.000 0.000 0.262 336 L C -2.315 174.479 176.870 -0.127 0.000 0.992 336 L CA -2.753 52.097 54.840 0.017 0.000 0.817 336 L CB 2.600 44.658 42.059 -0.002 0.000 1.350 336 L HN 0.540 nan 8.230 nan 0.000 0.411 337 P HA 0.020 nan 4.420 nan 0.000 0.264 337 P C -0.233 176.999 177.300 -0.112 0.000 1.183 337 P CA 0.011 62.782 63.100 -0.549 0.000 0.763 337 P CB 0.499 31.797 31.700 -0.669 0.000 0.807 338 G N 2.921 111.741 108.800 0.034 0.000 2.356 338 G HA2 0.437 4.397 3.960 -0.000 0.000 0.312 338 G HA3 0.437 4.397 3.960 -0.000 0.000 0.312 338 G C -0.289 174.657 174.900 0.077 0.000 1.096 338 G CA -0.487 44.669 45.100 0.093 0.000 0.950 338 G HN 0.380 nan 8.290 nan 0.000 0.428 339 V N 1.827 121.784 119.914 0.072 0.000 2.521 339 V HA 0.329 4.449 4.120 -0.000 0.000 0.286 339 V C 0.840 176.997 176.094 0.105 0.000 1.034 339 V CA -0.916 61.421 62.300 0.061 0.000 1.045 339 V CB 0.096 31.943 31.823 0.040 0.000 0.974 339 V HN 0.859 nan 8.190 nan 0.000 0.480 340 S N 3.484 119.239 115.700 0.093 0.000 4.525 340 S HA -0.123 4.347 4.470 -0.000 0.000 0.654 340 S C 1.274 175.958 174.600 0.140 0.000 1.127 340 S CA 0.590 58.865 58.200 0.124 0.000 1.103 340 S CB -0.426 62.856 63.200 0.137 0.000 2.043 340 S HN 1.497 nan 8.310 nan 0.000 0.334 341 G N 1.322 110.210 108.800 0.147 0.000 2.937 341 G HA2 0.375 4.335 3.960 -0.000 0.000 0.160 341 G HA3 0.375 4.335 3.960 -0.000 0.000 0.160 341 G C 0.526 175.510 174.900 0.141 0.000 1.863 341 G CA 0.654 45.908 45.100 0.257 0.000 0.941 341 G HN 0.827 nan 8.290 nan 0.000 0.419 342 F N -1.444 118.517 119.950 0.018 0.000 2.511 342 F HA -0.151 4.376 4.527 -0.000 0.000 0.625 342 F C 0.623 176.412 175.800 -0.018 0.000 0.499 342 F CA 1.384 59.382 58.000 -0.004 0.000 1.029 342 F CB -1.443 37.542 39.000 -0.025 0.000 1.823 342 F HN 1.066 nan 8.300 nan 0.000 0.261 343 A N -0.562 122.347 122.820 0.149 0.000 2.565 343 A HA 0.687 5.007 4.320 -0.000 0.000 0.298 343 A C 0.237 177.856 177.584 0.058 0.000 1.062 343 A CA 0.392 52.474 52.037 0.074 0.000 0.723 343 A CB 0.919 19.918 19.000 -0.001 0.000 1.282 343 A HN 2.083 nan 8.150 nan 0.000 0.400 344 G N 1.310 110.161 108.800 0.085 0.000 2.707 344 G HA2 0.260 4.220 3.960 -0.000 0.000 0.686 344 G HA3 0.260 4.220 3.960 -0.000 0.000 0.686 344 G C -1.151 173.859 174.900 0.183 0.000 1.315 344 G CA -0.201 44.965 45.100 0.111 0.000 0.832 344 G HN 0.952 nan 8.290 nan 0.000 0.573 345 D N 0.227 120.781 120.400 0.257 0.000 2.268 345 D HA 0.522 5.162 4.640 -0.000 0.000 0.249 345 D C 0.996 177.483 176.300 0.312 0.000 1.008 345 D CA -0.526 53.644 54.000 0.283 0.000 0.939 345 D CB 1.029 42.002 40.800 0.288 0.000 1.170 345 D HN 0.503 nan 8.370 nan 0.000 0.468 346 R N 0.541 121.182 120.500 0.235 0.000 2.694 346 R HA 0.364 4.704 4.340 -0.000 0.000 0.268 346 R C -0.204 176.206 176.300 0.184 0.000 1.061 346 R CA -0.212 56.020 56.100 0.221 0.000 1.133 346 R CB 0.552 30.933 30.300 0.134 0.000 1.020 346 R HN 0.325 nan 8.270 nan 0.000 0.475 347 L N 0.843 122.170 121.223 0.173 0.000 2.322 347 L HA 0.748 5.088 4.340 -0.000 0.000 0.269 347 L C -0.262 176.706 176.870 0.164 0.000 1.012 347 L CA -0.961 53.917 54.840 0.064 0.000 0.815 347 L CB 1.943 43.885 42.059 -0.195 0.000 1.295 347 L HN 0.627 nan 8.230 nan 0.000 0.438 348 A N -0.023 122.856 122.820 0.100 0.000 2.515 348 A HA 0.600 4.920 4.320 -0.000 0.000 0.298 348 A C -1.179 176.452 177.584 0.080 0.000 1.059 348 A CA -0.508 51.600 52.037 0.118 0.000 0.698 348 A CB 1.178 20.214 19.000 0.060 0.000 1.289 348 A HN 0.810 nan 8.150 nan 0.000 0.404 349 D N 1.101 121.566 120.400 0.110 0.000 2.802 349 D HA -0.149 4.491 4.640 -0.000 0.000 0.229 349 D C 0.251 176.552 176.300 0.002 0.000 1.203 349 D CA 1.132 55.171 54.000 0.066 0.000 0.712 349 D CB -1.246 39.573 40.800 0.033 0.000 0.973 349 D HN 0.569 nan 8.370 nan 0.000 0.407 350 I N 0.415 120.951 120.570 -0.057 0.000 2.845 350 I HA -0.113 4.057 4.170 -0.000 0.000 0.296 350 I C 1.115 177.185 176.117 -0.078 0.000 1.216 350 I CA 1.109 62.290 61.300 -0.198 0.000 1.438 350 I CB 0.221 37.907 38.000 -0.523 0.000 1.342 350 I HN 0.061 nan 8.210 nan 0.000 0.577 351 E N 6.417 126.579 120.200 -0.063 0.000 2.356 351 E HA 0.407 4.757 4.350 -0.000 0.000 0.275 351 E C -2.538 174.059 176.600 -0.006 0.000 0.904 351 E CA -1.872 54.518 56.400 -0.017 0.000 0.757 351 E CB 2.318 32.012 29.700 -0.010 0.000 1.232 351 E HN 0.287 nan 8.360 nan 0.000 0.442 352 P HA 0.038 nan 4.420 nan 0.000 0.280 352 P C -0.248 177.061 177.300 0.015 0.000 1.278 352 P CA -0.127 62.986 63.100 0.022 0.000 0.787 352 P CB 0.651 32.365 31.700 0.023 0.000 1.163 353 L N -0.829 120.404 121.223 0.016 0.000 2.994 353 L HA 0.281 4.621 4.340 -0.000 0.000 0.198 353 L C 0.641 177.515 176.870 0.008 0.000 1.530 353 L CA -0.688 54.159 54.840 0.011 0.000 1.565 353 L CB -0.130 41.937 42.059 0.013 0.000 2.470 353 L HN 0.356 nan 8.230 nan 0.000 0.564 354 K N 0.000 120.404 120.400 0.006 0.000 2.780 354 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 354 K CA 0.000 56.289 56.287 0.004 0.000 0.838 354 K CB 0.000 32.502 32.500 0.003 0.000 1.064 354 K HN 0.000 nan 8.250 nan 0.000 0.543