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 2vpy_1_C DATA FIRST_RESID 2 DATA SEQUENCE AEFYGLPNAQ EFWHWTNALH FVLVGLAGGV ALLAALLHLK GDAEARRYTL DATA SEQUENCE YALMLIALDL FILWAESPAR FRFTHIWLFL SFHPTSPIWW GAWGLGLGFL DATA SEQUENCE TGGLLYLGKG SQRALAWALL VFSLVALSYP GLALAVNLNR PLWNGLMAGL DATA SEQUENCE FPLTALVLAL GLAALLKSPW ALFPLRVLAG ASLLLALLYP LTLPPEARGH DATA SEQUENCE LLEEAGFWYG LFLLLGLGTF WQERLAPWAG LLAAAGLRAL LVLAGQWQGL DATA SEQUENCE G VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.344 177.584 -0.401 0.000 1.274 2 A CA 0.000 51.869 52.037 -0.279 0.000 0.836 2 A CB 0.000 18.901 19.000 -0.164 0.000 0.831 3 E N -0.227 119.672 120.200 -0.502 0.000 2.202 3 E HA 0.704 5.054 4.350 -0.000 0.000 0.272 3 E C -1.575 174.580 176.600 -0.742 0.000 0.951 3 E CA -0.185 55.936 56.400 -0.464 0.000 0.813 3 E CB 1.465 30.968 29.700 -0.329 0.000 1.151 3 E HN 0.338 nan 8.360 nan 0.000 0.398 4 F N 0.266 120.065 119.950 -0.252 0.000 2.611 4 F HA 0.429 4.956 4.527 -0.000 0.000 0.324 4 F C -0.532 175.012 175.800 -0.427 0.000 1.061 4 F CA -0.929 56.922 58.000 -0.249 0.000 0.954 4 F CB 1.357 40.293 39.000 -0.106 0.000 1.301 4 F HN 0.295 nan 8.300 nan 0.000 0.482 5 Y N 0.764 121.197 120.300 0.221 0.000 2.338 5 Y HA 0.536 5.086 4.550 -0.000 0.000 0.328 5 Y C 0.607 176.576 175.900 0.116 0.000 0.965 5 Y CA -0.296 57.877 58.100 0.121 0.000 1.208 5 Y CB 1.410 39.912 38.460 0.070 0.000 1.132 5 Y HN 0.903 nan 8.280 nan 0.000 0.469 6 G N 2.420 111.351 108.800 0.218 0.000 2.584 6 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.229 6 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.229 6 G C -1.606 173.310 174.900 0.028 0.000 1.320 6 G CA -0.672 44.490 45.100 0.104 0.000 0.891 6 G HN 0.622 nan 8.290 nan 0.000 0.573 7 L N 0.502 121.673 121.223 -0.086 0.000 2.582 7 L HA 0.537 4.877 4.340 -0.000 0.000 0.257 7 L C -2.095 174.601 176.870 -0.290 0.000 0.974 7 L CA -1.716 52.931 54.840 -0.322 0.000 0.851 7 L CB 2.471 44.373 42.059 -0.261 0.000 1.424 7 L HN 0.683 nan 8.230 nan 0.000 0.412 8 P HA 0.233 nan 4.420 nan 0.000 0.276 8 P C -1.147 176.044 177.300 -0.180 0.000 1.244 8 P CA -0.514 62.444 63.100 -0.237 0.000 0.801 8 P CB 0.484 32.040 31.700 -0.240 0.000 1.006 9 N N 0.368 119.000 118.700 -0.112 0.000 3.124 9 N HA 0.305 5.045 4.740 -0.000 0.000 0.284 9 N C 0.406 175.880 175.510 -0.059 0.000 1.209 9 N CA -0.216 52.788 53.050 -0.077 0.000 1.149 9 N CB -0.103 38.346 38.487 -0.063 0.000 1.434 9 N HN 0.388 nan 8.380 nan 0.000 0.529 10 A N 1.027 123.811 122.820 -0.060 0.000 2.545 10 A HA 0.009 4.329 4.320 -0.000 0.000 0.277 10 A C 0.652 178.252 177.584 0.027 0.000 1.301 10 A CA -0.425 51.599 52.037 -0.022 0.000 0.935 10 A CB 0.027 18.998 19.000 -0.048 0.000 1.093 10 A HN 0.454 nan 8.150 nan 0.000 0.519 11 Q N 0.427 120.249 119.800 0.037 0.000 2.260 11 Q HA 0.234 4.574 4.340 -0.000 0.000 0.238 11 Q C -0.231 175.810 176.000 0.068 0.000 0.948 11 Q CA -0.532 55.303 55.803 0.053 0.000 0.895 11 Q CB 0.581 29.351 28.738 0.053 0.000 1.218 11 Q HN 0.438 nan 8.270 nan 0.000 0.470 12 E N 1.342 121.547 120.200 0.008 0.000 2.585 12 E HA -0.085 4.265 4.350 -0.000 0.000 0.252 12 E C -0.370 176.111 176.600 -0.199 0.000 0.981 12 E CA 0.025 56.328 56.400 -0.161 0.000 0.943 12 E CB 0.108 29.767 29.700 -0.068 0.000 0.923 12 E HN 0.610 nan 8.360 nan 0.000 0.486 13 F N 3.361 123.151 119.950 -0.268 0.000 2.714 13 F HA 0.342 4.869 4.527 -0.000 0.000 0.294 13 F C 0.067 175.588 175.800 -0.466 0.000 1.120 13 F CA -0.921 56.858 58.000 -0.369 0.000 1.398 13 F CB 0.287 39.018 39.000 -0.448 0.000 1.120 13 F HN 0.182 nan 8.300 nan 0.000 0.589 14 W N 3.454 124.335 121.300 -0.698 0.000 2.424 14 W HA 0.378 5.038 4.660 -0.000 0.000 0.318 14 W C -0.092 176.110 176.519 -0.529 0.000 1.016 14 W CA -1.572 55.486 57.345 -0.480 0.000 1.268 14 W CB 0.114 29.442 29.460 -0.221 0.000 1.297 14 W HN -0.022 nan 8.180 nan 0.000 0.428 15 H N 2.087 121.228 119.070 0.118 0.000 2.437 15 H HA 0.056 4.612 4.556 -0.000 0.000 0.338 15 H C 1.664 177.002 175.328 0.017 0.000 1.495 15 H CA -0.171 55.900 56.048 0.038 0.000 1.453 15 H CB 0.386 30.126 29.762 -0.037 0.000 1.707 15 H HN 0.608 nan 8.280 nan 0.000 0.655 16 W N 0.171 121.587 121.300 0.193 0.000 2.350 16 W HA -0.181 4.479 4.660 -0.000 0.000 0.289 16 W C 1.057 177.649 176.519 0.122 0.000 1.215 16 W CA 1.360 58.773 57.345 0.113 0.000 1.236 16 W CB -1.564 27.941 29.460 0.074 0.000 1.130 16 W HN 0.316 nan 8.180 nan 0.000 0.541 17 T N 2.050 115.976 114.554 -1.047 0.000 2.652 17 T HA -0.262 4.088 4.350 -0.000 0.000 0.267 17 T C 1.545 176.035 174.700 -0.350 0.000 1.039 17 T CA 2.515 63.949 62.100 -1.111 0.000 1.153 17 T CB -0.395 67.891 68.868 -0.970 0.000 0.863 17 T HN 0.222 nan 8.240 nan 0.000 0.428 18 N N 0.312 118.914 118.700 -0.163 0.000 2.142 18 N HA 0.040 4.780 4.740 -0.000 0.000 0.186 18 N C 1.980 177.578 175.510 0.147 0.000 1.023 18 N CA 0.995 54.027 53.050 -0.031 0.000 0.852 18 N CB -0.211 38.227 38.487 -0.081 0.000 0.998 18 N HN 0.360 nan 8.380 nan 0.000 0.424 19 A N 0.792 123.682 122.820 0.116 0.000 1.978 19 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 19 A C 2.085 179.800 177.584 0.219 0.000 1.170 19 A CA 0.946 53.079 52.037 0.161 0.000 0.636 19 A CB -0.710 18.368 19.000 0.129 0.000 0.810 19 A HN 0.374 nan 8.150 nan 0.000 0.448 20 L N -1.151 120.176 121.223 0.175 0.000 2.027 20 L HA -0.203 4.137 4.340 -0.000 0.000 0.206 20 L C 2.622 179.582 176.870 0.149 0.000 1.074 20 L CA 2.509 57.445 54.840 0.161 0.000 0.745 20 L CB -0.670 41.477 42.059 0.147 0.000 0.898 20 L HN 0.790 nan 8.230 nan 0.000 0.433 21 H N -0.954 118.141 119.070 0.043 0.000 2.353 21 H HA -0.285 4.271 4.556 -0.000 0.000 0.298 21 H C 2.009 177.328 175.328 -0.015 0.000 1.103 21 H CA 2.351 58.398 56.048 -0.002 0.000 1.293 21 H CB -0.316 29.413 29.762 -0.057 0.000 1.372 21 H HN 0.287 nan 8.280 nan 0.000 0.501 22 F N -0.036 119.987 119.950 0.121 0.000 2.134 22 F HA -0.172 4.355 4.527 -0.000 0.000 0.299 22 F C 2.550 178.340 175.800 -0.016 0.000 1.097 22 F CA 1.300 59.340 58.000 0.066 0.000 1.264 22 F CB -0.343 38.726 39.000 0.115 0.000 1.001 22 F HN 0.098 nan 8.300 nan 0.000 0.479 23 V N -0.712 119.291 119.914 0.149 0.000 2.427 23 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 23 V C 2.220 178.297 176.094 -0.028 0.000 1.051 23 V CA 1.176 63.499 62.300 0.038 0.000 1.048 23 V CB -0.542 31.298 31.823 0.028 0.000 0.666 23 V HN 0.176 nan 8.190 nan 0.000 0.456 24 L N -0.371 120.819 121.223 -0.055 0.000 2.027 24 L HA -0.076 4.264 4.340 -0.000 0.000 0.206 24 L C 2.451 179.239 176.870 -0.137 0.000 1.074 24 L CA 1.582 56.370 54.840 -0.087 0.000 0.745 24 L CB -0.832 41.184 42.059 -0.072 0.000 0.898 24 L HN 0.185 nan 8.230 nan 0.000 0.433 25 V N -0.310 119.439 119.914 -0.274 0.000 2.720 25 V HA -0.191 3.929 4.120 -0.000 0.000 0.256 25 V C 2.258 178.281 176.094 -0.118 0.000 1.082 25 V CA 1.730 63.886 62.300 -0.240 0.000 1.101 25 V CB -0.589 30.980 31.823 -0.424 0.000 0.693 25 V HN 0.560 nan 8.190 nan 0.000 0.479 26 G N -0.607 108.132 108.800 -0.102 0.000 2.414 26 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.215 26 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.215 26 G C 1.524 176.407 174.900 -0.029 0.000 1.188 26 G CA 1.031 46.100 45.100 -0.053 0.000 0.783 26 G HN 0.475 nan 8.290 nan 0.000 0.537 27 L N 0.634 121.836 121.223 -0.034 0.000 1.989 27 L HA -0.134 4.206 4.340 -0.000 0.000 0.211 27 L C 3.463 180.343 176.870 0.017 0.000 1.071 27 L CA 1.340 56.171 54.840 -0.014 0.000 0.749 27 L CB -0.442 41.601 42.059 -0.027 0.000 0.890 27 L HN 0.334 nan 8.230 nan 0.000 0.431 28 A N 0.020 122.845 122.820 0.009 0.000 1.849 28 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 28 A C 2.332 179.960 177.584 0.073 0.000 1.202 28 A CA 2.146 54.209 52.037 0.044 0.000 0.629 28 A CB -1.598 17.419 19.000 0.027 0.000 0.834 28 A HN 0.498 nan 8.150 nan 0.000 0.447 29 G N -1.059 107.779 108.800 0.064 0.000 2.476 29 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.218 29 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.218 29 G C 1.520 176.470 174.900 0.084 0.000 1.164 29 G CA 1.406 46.559 45.100 0.089 0.000 0.768 29 G HN 0.861 nan 8.290 nan 0.000 0.560 30 G N -0.214 108.624 108.800 0.063 0.000 2.448 30 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.218 30 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.218 30 G C 1.648 176.605 174.900 0.094 0.000 1.135 30 G CA 0.984 46.121 45.100 0.063 0.000 0.784 30 G HN 0.342 nan 8.290 nan 0.000 0.543 31 V N 1.046 121.032 119.914 0.121 0.000 2.591 31 V HA 0.045 4.165 4.120 -0.000 0.000 0.249 31 V C 3.143 179.350 176.094 0.188 0.000 1.053 31 V CA 1.541 63.960 62.300 0.199 0.000 1.068 31 V CB -0.129 31.830 31.823 0.226 0.000 0.689 31 V HN 0.426 nan 8.190 nan 0.000 0.462 32 A N -0.277 122.629 122.820 0.142 0.000 2.015 32 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 32 A C 2.087 179.725 177.584 0.090 0.000 1.163 32 A CA 1.627 53.739 52.037 0.125 0.000 0.646 32 A CB -0.354 18.723 19.000 0.129 0.000 0.806 32 A HN 0.463 nan 8.150 nan 0.000 0.448 33 L N -0.402 120.866 121.223 0.075 0.000 2.072 33 L HA 0.006 4.346 4.340 -0.000 0.000 0.205 33 L C 2.213 179.075 176.870 -0.014 0.000 1.079 33 L CA 1.377 56.236 54.840 0.032 0.000 0.752 33 L CB -0.347 41.732 42.059 0.034 0.000 0.906 33 L HN 0.366 nan 8.230 nan 0.000 0.436 34 L N -0.423 120.802 121.223 0.003 0.000 2.012 34 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 34 L C 2.709 179.501 176.870 -0.130 0.000 1.073 34 L CA 1.445 56.227 54.840 -0.096 0.000 0.748 34 L CB -1.135 40.904 42.059 -0.032 0.000 0.891 34 L HN 0.401 nan 8.230 nan 0.000 0.431 35 A N -0.032 122.812 122.820 0.040 0.000 1.940 35 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 35 A C 2.516 180.154 177.584 0.090 0.000 1.176 35 A CA 1.820 53.924 52.037 0.111 0.000 0.631 35 A CB -0.598 18.523 19.000 0.202 0.000 0.814 35 A HN 0.443 nan 8.150 nan 0.000 0.446 36 A N -0.215 122.612 122.820 0.011 0.000 1.855 36 A HA -0.010 4.310 4.320 -0.000 0.000 0.215 36 A C 2.124 179.617 177.584 -0.152 0.000 1.191 36 A CA 1.427 53.428 52.037 -0.060 0.000 0.613 36 A CB -0.632 18.322 19.000 -0.077 0.000 0.829 36 A HN 0.460 nan 8.150 nan 0.000 0.442 37 L N -0.655 120.455 121.223 -0.187 0.000 2.191 37 L HA -0.148 4.192 4.340 -0.000 0.000 0.212 37 L C 2.467 179.161 176.870 -0.293 0.000 1.103 37 L CA 0.679 55.366 54.840 -0.255 0.000 0.769 37 L CB -0.448 41.467 42.059 -0.239 0.000 0.908 37 L HN 0.384 nan 8.230 nan 0.000 0.438 38 L N -1.413 119.634 121.223 -0.293 0.000 2.068 38 L HA -0.177 4.163 4.340 -0.000 0.000 0.204 38 L C 2.495 179.203 176.870 -0.270 0.000 1.076 38 L CA 1.016 55.647 54.840 -0.349 0.000 0.753 38 L CB -0.523 41.306 42.059 -0.383 0.000 0.910 38 L HN 0.201 nan 8.230 nan 0.000 0.439 39 H N -0.859 118.092 119.070 -0.199 0.000 2.422 39 H HA -0.186 4.370 4.556 -0.000 0.000 0.298 39 H C 1.906 177.108 175.328 -0.210 0.000 1.098 39 H CA 1.364 57.310 56.048 -0.169 0.000 1.315 39 H CB 0.159 29.832 29.762 -0.147 0.000 1.382 39 H HN 0.050 nan 8.280 nan 0.000 0.523 40 L N 0.359 121.479 121.223 -0.171 0.000 2.156 40 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 40 L C 1.640 178.387 176.870 -0.205 0.000 1.095 40 L CA 1.541 56.220 54.840 -0.270 0.000 0.770 40 L CB -0.186 41.590 42.059 -0.472 0.000 0.914 40 L HN 0.118 nan 8.230 nan 0.000 0.439 41 K N -0.449 119.828 120.400 -0.205 0.000 2.444 41 K HA 0.234 4.554 4.320 -0.000 0.000 0.193 41 K C 1.263 177.776 176.600 -0.145 0.000 1.024 41 K CA 0.717 56.901 56.287 -0.172 0.000 1.077 41 K CB -0.223 32.153 32.500 -0.207 0.000 0.833 41 K HN 0.313 nan 8.250 nan 0.000 0.517 42 G N 2.654 111.364 108.800 -0.150 0.000 2.168 42 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.257 42 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.257 42 G C -0.085 174.728 174.900 -0.145 0.000 0.997 42 G CA 0.547 45.570 45.100 -0.128 0.000 0.708 42 G HN 0.447 nan 8.290 nan 0.000 0.520 43 D N 0.066 120.355 120.400 -0.185 0.000 2.382 43 D HA 0.467 5.107 4.640 -0.000 0.000 0.245 43 D C 1.674 177.880 176.300 -0.157 0.000 1.120 43 D CA 0.351 54.251 54.000 -0.167 0.000 0.890 43 D CB 1.047 41.712 40.800 -0.225 0.000 1.201 43 D HN 0.339 nan 8.370 nan 0.000 0.433 44 A N 4.246 127.011 122.820 -0.091 0.000 2.019 44 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 44 A C 1.707 179.263 177.584 -0.047 0.000 1.164 44 A CA 1.156 53.153 52.037 -0.068 0.000 0.644 44 A CB -0.303 18.680 19.000 -0.027 0.000 0.805 44 A HN 0.762 nan 8.150 nan 0.000 0.449 45 E N -0.055 120.149 120.200 0.006 0.000 2.516 45 E HA 0.050 4.400 4.350 -0.000 0.000 0.199 45 E C 1.914 178.572 176.600 0.096 0.000 1.069 45 E CA 0.437 56.911 56.400 0.123 0.000 0.876 45 E CB -0.207 29.683 29.700 0.318 0.000 0.843 45 E HN 0.647 nan 8.360 nan 0.000 0.530 46 A N 1.633 124.382 122.820 -0.119 0.000 2.070 46 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 46 A C 2.077 179.582 177.584 -0.132 0.000 1.159 46 A CA 0.875 52.754 52.037 -0.263 0.000 0.656 46 A CB -0.152 18.376 19.000 -0.787 0.000 0.800 46 A HN 0.036 nan 8.150 nan 0.000 0.453 47 R N -0.139 120.313 120.500 -0.079 0.000 2.075 47 R HA -0.084 4.256 4.340 -0.000 0.000 0.226 47 R C 2.342 178.700 176.300 0.097 0.000 1.114 47 R CA 1.575 57.705 56.100 0.049 0.000 0.972 47 R CB -0.400 29.888 30.300 -0.020 0.000 0.869 47 R HN 0.831 nan 8.270 nan 0.000 0.437 48 R N -1.274 119.186 120.500 -0.066 0.000 2.200 48 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 48 R C 1.532 177.396 176.300 -0.727 0.000 1.033 48 R CA 0.852 56.724 56.100 -0.379 0.000 1.000 48 R CB -0.512 29.514 30.300 -0.456 0.000 0.906 48 R HN 0.143 nan 8.270 nan 0.000 0.462 49 Y N 2.197 122.323 120.300 -0.291 0.000 2.373 49 Y HA -0.042 4.508 4.550 -0.000 0.000 0.293 49 Y C 2.301 178.176 175.900 -0.042 0.000 1.129 49 Y CA 1.861 59.889 58.100 -0.120 0.000 1.226 49 Y CB 0.168 38.669 38.460 0.068 0.000 1.000 49 Y HN 0.086 nan 8.280 nan 0.000 0.549 50 T N 0.078 114.690 114.554 0.097 0.000 2.857 50 T HA -0.156 4.194 4.350 -0.000 0.000 0.266 50 T C 1.908 176.555 174.700 -0.089 0.000 1.048 50 T CA 1.080 63.231 62.100 0.086 0.000 1.139 50 T CB -0.520 68.477 68.868 0.215 0.000 0.874 50 T HN 0.176 nan 8.240 nan 0.000 0.455 51 L N 0.606 121.684 121.223 -0.242 0.000 2.012 51 L HA -0.075 4.265 4.340 -0.000 0.000 0.210 51 L C 2.082 178.878 176.870 -0.124 0.000 1.073 51 L CA 1.698 56.286 54.840 -0.420 0.000 0.748 51 L CB -0.858 40.917 42.059 -0.474 0.000 0.891 51 L HN 0.407 nan 8.230 nan 0.000 0.431 52 Y N -0.790 119.436 120.300 -0.124 0.000 2.181 52 Y HA -0.246 4.304 4.550 -0.000 0.000 0.288 52 Y C 2.527 178.414 175.900 -0.021 0.000 1.146 52 Y CA 0.392 58.442 58.100 -0.083 0.000 1.164 52 Y CB -0.525 37.867 38.460 -0.113 0.000 0.982 52 Y HN 0.368 nan 8.280 nan 0.000 0.515 53 A N 0.312 123.247 122.820 0.192 0.000 1.969 53 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 53 A C 2.163 179.816 177.584 0.116 0.000 1.169 53 A CA 1.154 53.280 52.037 0.148 0.000 0.635 53 A CB -0.891 18.196 19.000 0.144 0.000 0.810 53 A HN 0.463 nan 8.150 nan 0.000 0.445 54 L N -1.553 119.692 121.223 0.036 0.000 2.109 54 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 54 L C 2.806 179.794 176.870 0.198 0.000 1.086 54 L CA 1.267 56.114 54.840 0.011 0.000 0.760 54 L CB -0.461 41.405 42.059 -0.321 0.000 0.910 54 L HN 0.399 nan 8.230 nan 0.000 0.437 55 M N -0.488 119.173 119.600 0.102 0.000 2.132 55 M HA -0.191 4.289 4.480 -0.000 0.000 0.263 55 M C 2.220 178.572 176.300 0.087 0.000 1.065 55 M CA 1.754 57.109 55.300 0.092 0.000 1.122 55 M CB -0.205 32.428 32.600 0.055 0.000 1.365 55 M HN 0.190 nan 8.290 nan 0.000 0.411 56 L N -0.420 120.852 121.223 0.082 0.000 2.217 56 L HA -0.140 4.200 4.340 -0.000 0.000 0.211 56 L C 2.217 179.130 176.870 0.071 0.000 1.107 56 L CA 0.699 55.573 54.840 0.057 0.000 0.783 56 L CB -0.431 41.655 42.059 0.044 0.000 0.919 56 L HN 0.323 nan 8.230 nan 0.000 0.442 57 I N -0.322 120.326 120.570 0.129 0.000 2.286 57 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 57 I C 2.759 178.895 176.117 0.033 0.000 1.104 57 I CA 1.029 62.404 61.300 0.124 0.000 1.397 57 I CB -0.435 37.736 38.000 0.286 0.000 1.072 57 I HN 0.204 nan 8.210 nan 0.000 0.417 58 A N 1.035 123.896 122.820 0.068 0.000 1.873 58 A HA -0.220 4.100 4.320 -0.000 0.000 0.215 58 A C 2.240 179.842 177.584 0.030 0.000 1.186 58 A CA 1.372 53.385 52.037 -0.041 0.000 0.616 58 A CB -0.843 18.183 19.000 0.043 0.000 0.823 58 A HN 0.371 nan 8.150 nan 0.000 0.442 59 L N 0.156 121.410 121.223 0.052 0.000 2.131 59 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 59 L C 1.783 178.723 176.870 0.118 0.000 1.092 59 L CA 2.781 57.671 54.840 0.083 0.000 0.759 59 L CB -0.607 41.481 42.059 0.048 0.000 0.903 59 L HN 0.449 nan 8.230 nan 0.000 0.435 60 D N -1.094 119.341 120.400 0.059 0.000 2.162 60 D HA -0.126 4.514 4.640 -0.000 0.000 0.203 60 D C 2.172 178.519 176.300 0.079 0.000 0.967 60 D CA 1.164 55.181 54.000 0.028 0.000 0.840 60 D CB -0.016 40.743 40.800 -0.067 0.000 0.972 60 D HN 0.420 nan 8.370 nan 0.000 0.482 61 L N -0.523 120.732 121.223 0.054 0.000 2.093 61 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 61 L C 2.214 179.159 176.870 0.125 0.000 1.085 61 L CA 0.543 55.413 54.840 0.051 0.000 0.755 61 L CB -0.432 41.585 42.059 -0.069 0.000 0.904 61 L HN 0.056 nan 8.230 nan 0.000 0.435 62 F N 0.839 120.803 119.950 0.023 0.000 2.134 62 F HA -0.180 4.347 4.527 -0.000 0.000 0.299 62 F C 2.165 178.085 175.800 0.200 0.000 1.097 62 F CA 1.544 59.610 58.000 0.110 0.000 1.264 62 F CB -0.023 39.013 39.000 0.060 0.000 1.001 62 F HN -0.113 nan 8.300 nan 0.000 0.479 63 I N -0.474 120.228 120.570 0.220 0.000 3.251 63 I HA -0.176 3.994 4.170 -0.000 0.000 0.277 63 I C 1.996 178.135 176.117 0.036 0.000 1.268 63 I CA 0.381 61.736 61.300 0.092 0.000 1.449 63 I CB -0.250 37.828 38.000 0.130 0.000 1.083 63 I HN 0.170 nan 8.210 nan 0.000 0.464 64 L N -0.740 120.550 121.223 0.111 0.000 2.156 64 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 64 L C 2.257 179.137 176.870 0.017 0.000 1.095 64 L CA 1.288 56.187 54.840 0.098 0.000 0.770 64 L CB -0.244 41.919 42.059 0.174 0.000 0.914 64 L HN 0.488 nan 8.230 nan 0.000 0.439 65 W N -0.164 121.003 121.300 -0.222 0.000 2.539 65 W HA 0.035 4.695 4.660 -0.000 0.000 0.281 65 W C 2.222 178.508 176.519 -0.388 0.000 1.220 65 W CA 0.847 57.974 57.345 -0.363 0.000 1.332 65 W CB -0.019 29.174 29.460 -0.445 0.000 1.095 65 W HN -0.003 nan 8.180 nan 0.000 0.571 66 A N 0.317 122.776 122.820 -0.602 0.000 2.209 66 A HA -0.131 4.189 4.320 -0.000 0.000 0.212 66 A C 1.830 179.069 177.584 -0.575 0.000 1.158 66 A CA 1.638 53.173 52.037 -0.837 0.000 0.742 66 A CB -0.720 17.969 19.000 -0.518 0.000 0.790 66 A HN 0.563 nan 8.150 nan 0.000 0.472 67 E N -0.349 119.601 120.200 -0.416 0.000 2.526 67 E HA 0.093 4.443 4.350 -0.000 0.000 0.208 67 E C 0.071 176.520 176.600 -0.251 0.000 0.997 67 E CA 0.165 56.390 56.400 -0.292 0.000 0.961 67 E CB 0.015 29.587 29.700 -0.214 0.000 1.030 67 E HN 0.300 nan 8.360 nan 0.000 0.483 68 S N 1.835 117.340 115.700 -0.325 0.000 2.499 68 S HA 0.220 4.690 4.470 -0.000 0.000 0.275 68 S C -1.778 172.668 174.600 -0.256 0.000 1.257 68 S CA -1.429 56.649 58.200 -0.203 0.000 1.050 68 S CB 1.335 64.498 63.200 -0.062 0.000 0.937 68 S HN -0.032 nan 8.310 nan 0.000 0.490 69 P HA 0.027 nan 4.420 nan 0.000 0.223 69 P C 0.330 177.536 177.300 -0.155 0.000 1.144 69 P CA 0.811 63.831 63.100 -0.134 0.000 0.783 69 P CB 0.095 31.764 31.700 -0.052 0.000 0.771 70 A N -0.117 122.624 122.820 -0.131 0.000 2.610 70 A HA 0.109 4.429 4.320 -0.000 0.000 0.286 70 A C 1.972 179.470 177.584 -0.143 0.000 1.306 70 A CA -0.417 51.561 52.037 -0.098 0.000 0.942 70 A CB -0.845 18.137 19.000 -0.030 0.000 1.112 70 A HN 0.085 nan 8.150 nan 0.000 0.527 71 R N -0.492 119.748 120.500 -0.433 0.000 2.120 71 R HA -0.085 4.255 4.340 -0.000 0.000 0.234 71 R C 0.425 176.314 176.300 -0.685 0.000 1.123 71 R CA 1.858 57.452 56.100 -0.843 0.000 0.975 71 R CB -0.406 28.965 30.300 -1.548 0.000 0.866 71 R HN 0.500 nan 8.270 nan 0.000 0.446 72 F N 0.066 119.749 119.950 -0.445 0.000 2.695 72 F HA 0.369 4.896 4.527 -0.000 0.000 0.303 72 F C 1.970 177.242 175.800 -0.881 0.000 1.091 72 F CA -0.633 56.916 58.000 -0.752 0.000 1.300 72 F CB 0.460 39.250 39.000 -0.350 0.000 1.071 72 F HN -0.157 nan 8.300 nan 0.000 0.578 73 R N 0.143 120.428 120.500 -0.358 0.000 2.297 73 R HA 0.058 4.398 4.340 -0.000 0.000 0.197 73 R C -0.070 176.244 176.300 0.023 0.000 0.943 73 R CA -0.006 56.013 56.100 -0.134 0.000 1.038 73 R CB -0.340 29.949 30.300 -0.018 0.000 0.957 73 R HN 0.222 nan 8.270 nan 0.000 0.484 74 F N 1.167 121.287 119.950 0.284 0.000 2.635 74 F HA -0.250 4.277 4.527 -0.000 0.000 0.228 74 F C 0.847 176.816 175.800 0.282 0.000 1.029 74 F CA 0.583 58.760 58.000 0.295 0.000 0.907 74 F CB -1.519 37.615 39.000 0.225 0.000 0.893 74 F HN 0.109 nan 8.300 nan 0.000 0.845 75 T N -4.912 109.916 114.554 0.457 0.000 3.010 75 T HA 0.065 4.415 4.350 -0.000 0.000 0.257 75 T C 1.060 175.985 174.700 0.376 0.000 1.020 75 T CA 0.270 62.624 62.100 0.425 0.000 0.938 75 T CB -0.074 68.959 68.868 0.275 0.000 1.049 75 T HN 0.504 nan 8.240 nan 0.000 0.522 76 H N 1.133 120.360 119.070 0.262 0.000 2.543 76 H HA 0.233 4.789 4.556 -0.000 0.000 0.286 76 H C 1.938 177.341 175.328 0.126 0.000 1.037 76 H CA 0.613 56.768 56.048 0.178 0.000 1.250 76 H CB -0.378 29.497 29.762 0.188 0.000 1.373 76 H HN 0.356 nan 8.280 nan 0.000 0.580 77 I N -0.389 120.300 120.570 0.198 0.000 2.423 77 I HA -0.288 3.882 4.170 -0.000 0.000 0.254 77 I C 1.141 177.203 176.117 -0.092 0.000 1.151 77 I CA 1.223 62.531 61.300 0.013 0.000 1.421 77 I CB -0.054 37.836 38.000 -0.185 0.000 1.079 77 I HN 0.307 nan 8.210 nan 0.000 0.431 78 W N -0.193 121.182 121.300 0.125 0.000 2.525 78 W HA -0.147 4.513 4.660 -0.000 0.000 0.259 78 W C 2.097 178.682 176.519 0.110 0.000 1.253 78 W CA -0.193 57.224 57.345 0.120 0.000 1.262 78 W CB -0.330 29.182 29.460 0.088 0.000 1.122 78 W HN 0.154 nan 8.180 nan 0.000 0.607 79 L N -1.068 120.215 121.223 0.100 0.000 2.131 79 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 79 L C 1.433 178.130 176.870 -0.289 0.000 1.092 79 L CA 1.781 56.499 54.840 -0.203 0.000 0.759 79 L CB -0.898 40.739 42.059 -0.703 0.000 0.903 79 L HN 0.011 nan 8.230 nan 0.000 0.435 80 F N -2.450 117.584 119.950 0.139 0.000 2.678 80 F HA 0.183 4.710 4.527 -0.000 0.000 0.305 80 F C 1.336 177.331 175.800 0.325 0.000 1.090 80 F CA -0.107 57.944 58.000 0.084 0.000 1.272 80 F CB 0.184 38.988 39.000 -0.327 0.000 1.060 80 F HN -0.140 nan 8.300 nan 0.000 0.576 81 L N -0.370 121.102 121.223 0.416 0.000 2.910 81 L HA 0.276 4.616 4.340 -0.000 0.000 0.252 81 L C 0.435 177.557 176.870 0.421 0.000 1.195 81 L CA -0.187 54.850 54.840 0.329 0.000 1.003 81 L CB -0.087 42.011 42.059 0.065 0.000 1.328 81 L HN 0.050 nan 8.230 nan 0.000 0.540 82 S N -1.416 114.601 115.700 0.528 0.000 2.685 82 S HA 0.621 5.091 4.470 -0.000 0.000 0.282 82 S C -1.258 173.537 174.600 0.326 0.000 1.159 82 S CA -0.630 57.796 58.200 0.376 0.000 0.833 82 S CB 2.234 65.678 63.200 0.408 0.000 1.151 82 S HN -0.022 nan 8.310 nan 0.000 0.485 83 F N 2.335 122.035 119.950 -0.417 0.000 2.430 83 F HA 0.516 5.043 4.527 -0.000 0.000 0.362 83 F C -0.586 174.317 175.800 -1.494 0.000 1.103 83 F CA -0.624 56.889 58.000 -0.811 0.000 1.045 83 F CB 0.822 39.516 39.000 -0.511 0.000 1.276 83 F HN 0.740 nan 8.300 nan 0.000 0.444 84 H N 7.569 125.340 119.070 -2.164 0.000 2.348 84 H HA 0.237 4.793 4.556 -0.000 0.000 0.232 84 H C -1.981 172.370 175.328 -1.629 0.000 1.419 84 H CA -1.616 53.509 56.048 -1.538 0.000 1.416 84 H CB 0.704 29.951 29.762 -0.858 0.000 1.510 84 H HN 0.420 nan 8.280 nan 0.000 0.507 85 P HA -0.131 nan 4.420 nan 0.000 0.221 85 P C 1.374 178.719 177.300 0.076 0.000 1.145 85 P CA 1.151 63.810 63.100 -0.734 0.000 0.795 85 P CB -0.003 31.283 31.700 -0.691 0.000 0.775 86 T N -4.347 110.159 114.554 -0.081 0.000 3.113 86 T HA 0.055 4.405 4.350 -0.000 0.000 0.256 86 T C 1.003 175.788 174.700 0.142 0.000 1.131 86 T CA -0.010 62.126 62.100 0.061 0.000 1.074 86 T CB -0.551 68.312 68.868 -0.008 0.000 0.944 86 T HN 0.087 nan 8.240 nan 0.000 0.516 87 S N 2.155 117.961 115.700 0.176 0.000 2.420 87 S HA 0.405 4.875 4.470 -0.000 0.000 0.313 87 S C -1.783 173.078 174.600 0.436 0.000 1.079 87 S CA -1.699 56.647 58.200 0.243 0.000 1.104 87 S CB 1.323 64.616 63.200 0.155 0.000 0.969 87 S HN -0.093 nan 8.310 nan 0.000 0.471 88 P HA -0.148 nan 4.420 nan 0.000 0.216 88 P C 1.478 179.021 177.300 0.404 0.000 1.154 88 P CA 1.158 64.523 63.100 0.442 0.000 0.865 88 P CB -0.005 31.897 31.700 0.337 0.000 0.789 89 I N -2.831 117.917 120.570 0.296 0.000 2.493 89 I HA -0.180 3.990 4.170 -0.000 0.000 0.254 89 I C 2.312 178.444 176.117 0.024 0.000 1.160 89 I CA 1.140 62.509 61.300 0.115 0.000 1.445 89 I CB -1.178 36.904 38.000 0.135 0.000 1.086 89 I HN 0.099 nan 8.210 nan 0.000 0.433 90 W N 0.892 122.184 121.300 -0.013 0.000 2.407 90 W HA -0.175 4.485 4.660 -0.000 0.000 0.305 90 W C 2.321 178.810 176.519 -0.049 0.000 1.196 90 W CA 1.004 58.323 57.345 -0.043 0.000 1.311 90 W CB -0.596 28.824 29.460 -0.067 0.000 1.135 90 W HN 0.004 nan 8.180 nan 0.000 0.514 91 W N 0.588 122.025 121.300 0.228 0.000 2.333 91 W HA -0.117 4.543 4.660 -0.000 0.000 0.316 91 W C 2.709 179.093 176.519 -0.225 0.000 1.215 91 W CA 2.374 59.753 57.345 0.056 0.000 1.278 91 W CB -1.162 28.410 29.460 0.186 0.000 1.154 91 W HN 0.017 nan 8.180 nan 0.000 0.486 92 G N -0.125 108.440 108.800 -0.391 0.000 2.469 92 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.220 92 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.220 92 G C 1.601 176.166 174.900 -0.559 0.000 1.136 92 G CA 1.487 45.904 45.100 -1.139 0.000 0.759 92 G HN 0.362 nan 8.290 nan 0.000 0.562 93 A N -0.129 122.425 122.820 -0.444 0.000 1.898 93 A HA 0.037 4.357 4.320 -0.000 0.000 0.216 93 A C 2.159 179.584 177.584 -0.265 0.000 1.181 93 A CA 1.351 53.175 52.037 -0.353 0.000 0.620 93 A CB -0.550 18.103 19.000 -0.578 0.000 0.819 93 A HN 0.488 nan 8.150 nan 0.000 0.442 94 W N -0.183 120.851 121.300 -0.443 0.000 2.453 94 W HA 0.135 4.795 4.660 -0.000 0.000 0.289 94 W C 2.497 178.834 176.519 -0.304 0.000 1.215 94 W CA 0.962 58.081 57.345 -0.376 0.000 1.297 94 W CB -0.545 28.467 29.460 -0.748 0.000 1.113 94 W HN 0.356 nan 8.180 nan 0.000 0.551 95 G N 0.576 109.385 108.800 0.015 0.000 2.433 95 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.216 95 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.216 95 G C 1.435 176.357 174.900 0.036 0.000 1.186 95 G CA 1.213 46.362 45.100 0.082 0.000 0.779 95 G HN 0.143 nan 8.290 nan 0.000 0.543 96 L N 0.916 122.155 121.223 0.027 0.000 1.976 96 L HA 0.036 4.376 4.340 -0.000 0.000 0.209 96 L C 3.238 180.107 176.870 -0.002 0.000 1.071 96 L CA 1.315 56.182 54.840 0.045 0.000 0.746 96 L CB -1.082 40.991 42.059 0.023 0.000 0.890 96 L HN 0.299 nan 8.230 nan 0.000 0.432 97 G N 0.471 109.210 108.800 -0.102 0.000 2.586 97 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.218 97 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.218 97 G C 1.584 176.374 174.900 -0.184 0.000 1.216 97 G CA 1.297 46.269 45.100 -0.212 0.000 0.786 97 G HN 0.266 nan 8.290 nan 0.000 0.583 98 L N 0.940 121.986 121.223 -0.295 0.000 2.131 98 L HA 0.048 4.388 4.340 -0.000 0.000 0.210 98 L C 3.132 179.890 176.870 -0.187 0.000 1.092 98 L CA 0.864 55.476 54.840 -0.379 0.000 0.759 98 L CB -0.564 40.968 42.059 -0.879 0.000 0.903 98 L HN 0.340 nan 8.230 nan 0.000 0.435 99 G N -0.831 107.928 108.800 -0.069 0.000 2.471 99 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.219 99 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.219 99 G C 1.449 176.453 174.900 0.173 0.000 1.125 99 G CA 0.226 45.455 45.100 0.215 0.000 0.775 99 G HN 0.353 nan 8.290 nan 0.000 0.548 100 F N 0.533 120.466 119.950 -0.028 0.000 2.473 100 F HA 0.301 4.828 4.527 -0.000 0.000 0.294 100 F C 2.214 177.986 175.800 -0.047 0.000 1.103 100 F CA 0.403 58.379 58.000 -0.041 0.000 1.442 100 F CB 0.175 39.128 39.000 -0.078 0.000 1.097 100 F HN 0.011 nan 8.300 nan 0.000 0.547 101 L N -0.804 120.475 121.223 0.093 0.000 2.049 101 L HA -0.131 4.209 4.340 -0.000 0.000 0.203 101 L C 2.333 179.197 176.870 -0.010 0.000 1.074 101 L CA 1.537 56.386 54.840 0.014 0.000 0.749 101 L CB -1.377 40.687 42.059 0.009 0.000 0.907 101 L HN -0.012 nan 8.230 nan 0.000 0.439 102 T N 0.191 114.782 114.554 0.063 0.000 2.665 102 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 102 T C 1.711 176.409 174.700 -0.004 0.000 1.035 102 T CA 1.688 63.842 62.100 0.091 0.000 1.151 102 T CB -0.611 68.407 68.868 0.251 0.000 0.862 102 T HN 0.578 nan 8.240 nan 0.000 0.438 103 G N 0.089 108.867 108.800 -0.037 0.000 2.650 103 G HA2 0.165 4.125 3.960 -0.000 0.000 0.214 103 G HA3 0.165 4.125 3.960 -0.000 0.000 0.214 103 G C 1.531 176.338 174.900 -0.154 0.000 1.136 103 G CA 0.732 45.773 45.100 -0.099 0.000 0.789 103 G HN 0.569 nan 8.290 nan 0.000 0.536 104 G N 1.166 109.841 108.800 -0.209 0.000 2.395 104 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.214 104 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.214 104 G C 1.669 176.536 174.900 -0.056 0.000 1.177 104 G CA 0.627 45.602 45.100 -0.208 0.000 0.794 104 G HN 0.368 nan 8.290 nan 0.000 0.532 105 L N 0.344 121.539 121.223 -0.046 0.000 2.141 105 L HA 0.088 4.428 4.340 -0.000 0.000 0.209 105 L C 2.731 179.585 176.870 -0.027 0.000 1.094 105 L CA 0.571 55.396 54.840 -0.025 0.000 0.763 105 L CB -0.493 41.556 42.059 -0.018 0.000 0.908 105 L HN 0.111 nan 8.230 nan 0.000 0.437 106 L N -1.855 119.340 121.223 -0.047 0.000 2.046 106 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 106 L C 2.605 179.485 176.870 0.017 0.000 1.077 106 L CA 1.301 56.092 54.840 -0.081 0.000 0.747 106 L CB -0.532 41.383 42.059 -0.240 0.000 0.896 106 L HN 0.217 nan 8.230 nan 0.000 0.432 107 Y N -0.084 120.170 120.300 -0.076 0.000 2.293 107 Y HA -0.153 4.397 4.550 -0.000 0.000 0.291 107 Y C 1.840 177.712 175.900 -0.047 0.000 1.137 107 Y CA 1.105 59.172 58.100 -0.055 0.000 1.202 107 Y CB 0.215 38.618 38.460 -0.094 0.000 0.990 107 Y HN 0.031 nan 8.280 nan 0.000 0.537 108 L N -0.072 121.132 121.223 -0.032 0.000 2.653 108 L HA 0.311 4.651 4.340 -0.000 0.000 0.231 108 L C 1.283 178.111 176.870 -0.070 0.000 1.153 108 L CA 0.425 55.225 54.840 -0.066 0.000 0.933 108 L CB -0.743 41.309 42.059 -0.012 0.000 1.175 108 L HN 0.241 nan 8.230 nan 0.000 0.473 109 G N 1.269 110.027 108.800 -0.071 0.000 2.332 109 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.277 109 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.277 109 G C 0.216 175.094 174.900 -0.036 0.000 0.884 109 G CA 0.600 45.669 45.100 -0.051 0.000 1.251 109 G HN 0.446 nan 8.290 nan 0.000 0.462 110 K N -0.430 119.953 120.400 -0.027 0.000 2.508 110 K HA 0.661 4.981 4.320 -0.000 0.000 0.260 110 K C 0.731 177.324 176.600 -0.011 0.000 0.949 110 K CA -0.814 55.462 56.287 -0.018 0.000 0.834 110 K CB 1.949 34.439 32.500 -0.018 0.000 1.365 110 K HN 1.322 nan 8.250 nan 0.000 0.437 111 G N 1.110 109.907 108.800 -0.005 0.000 2.246 111 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.273 111 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.273 111 G C 0.081 174.985 174.900 0.007 0.000 1.055 111 G CA 1.050 46.152 45.100 0.003 0.000 0.851 111 G HN 1.019 nan 8.290 nan 0.000 0.500 112 S N -2.620 113.082 115.700 0.004 0.000 3.983 112 S HA -0.100 4.370 4.470 -0.000 0.000 0.638 112 S C 0.493 175.092 174.600 -0.001 0.000 1.663 112 S CA 1.526 59.730 58.200 0.008 0.000 1.838 112 S CB -0.836 62.376 63.200 0.020 0.000 0.328 112 S HN 1.329 nan 8.310 nan 0.000 1.784 113 Q N -0.945 118.859 119.800 0.005 0.000 1.752 113 Q HA 0.200 4.540 4.340 -0.000 0.000 0.169 113 Q C 1.122 177.117 176.000 -0.008 0.000 0.747 113 Q CA 0.301 56.099 55.803 -0.008 0.000 0.814 113 Q CB 0.502 29.245 28.738 0.008 0.000 1.218 113 Q HN 0.570 nan 8.270 nan 0.000 0.384 114 R N 0.284 120.800 120.500 0.026 0.000 2.444 114 R HA 0.345 4.685 4.340 -0.000 0.000 0.201 114 R C 1.694 178.071 176.300 0.128 0.000 0.861 114 R CA 1.273 57.394 56.100 0.036 0.000 1.034 114 R CB -0.077 30.278 30.300 0.092 0.000 1.347 114 R HN 0.040 nan 8.270 nan 0.000 0.659 115 A N 0.667 123.571 122.820 0.140 0.000 2.121 115 A HA 0.064 4.384 4.320 -0.000 0.000 0.218 115 A C 1.644 179.288 177.584 0.100 0.000 1.154 115 A CA 0.906 53.034 52.037 0.152 0.000 0.679 115 A CB -0.356 18.698 19.000 0.090 0.000 0.795 115 A HN 0.315 nan 8.150 nan 0.000 0.458 116 L N -2.015 119.234 121.223 0.043 0.000 2.408 116 L HA 0.112 4.452 4.340 -0.000 0.000 0.215 116 L C 2.778 179.615 176.870 -0.054 0.000 1.081 116 L CA 0.743 55.584 54.840 0.001 0.000 0.840 116 L CB -0.240 41.799 42.059 -0.034 0.000 1.002 116 L HN 0.354 nan 8.230 nan 0.000 0.468 117 A N -0.707 122.054 122.820 -0.099 0.000 2.016 117 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 117 A C 1.824 179.296 177.584 -0.187 0.000 1.162 117 A CA 0.755 52.677 52.037 -0.193 0.000 0.662 117 A CB -0.580 18.280 19.000 -0.233 0.000 0.812 117 A HN 0.500 nan 8.150 nan 0.000 0.450 118 W N -0.443 120.808 121.300 -0.082 0.000 2.453 118 W HA 0.116 4.776 4.660 -0.000 0.000 0.289 118 W C 2.669 179.085 176.519 -0.171 0.000 1.215 118 W CA 0.822 58.109 57.345 -0.097 0.000 1.297 118 W CB 0.088 29.501 29.460 -0.078 0.000 1.113 118 W HN 0.362 nan 8.180 nan 0.000 0.551 119 A N 0.078 122.916 122.820 0.029 0.000 1.858 119 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 119 A C 1.864 179.247 177.584 -0.335 0.000 1.190 119 A CA 1.608 53.480 52.037 -0.276 0.000 0.617 119 A CB -1.149 17.780 19.000 -0.118 0.000 0.827 119 A HN 0.241 nan 8.150 nan 0.000 0.443 120 L N -0.667 120.511 121.223 -0.074 0.000 2.127 120 L HA -0.139 4.201 4.340 -0.000 0.000 0.211 120 L C 2.285 179.156 176.870 0.001 0.000 1.089 120 L CA 1.934 56.789 54.840 0.026 0.000 0.757 120 L CB -0.538 41.520 42.059 -0.000 0.000 0.899 120 L HN 0.448 nan 8.230 nan 0.000 0.434 121 L N -1.817 119.384 121.223 -0.038 0.000 2.017 121 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 121 L C 2.297 179.183 176.870 0.026 0.000 1.073 121 L CA 1.495 56.336 54.840 0.003 0.000 0.745 121 L CB -0.313 41.763 42.059 0.028 0.000 0.894 121 L HN 0.056 nan 8.230 nan 0.000 0.432 122 V N -0.692 119.187 119.914 -0.059 0.000 2.427 122 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 122 V C 2.141 178.261 176.094 0.043 0.000 1.051 122 V CA 1.964 64.225 62.300 -0.065 0.000 1.048 122 V CB -0.597 31.113 31.823 -0.187 0.000 0.666 122 V HN 0.416 nan 8.190 nan 0.000 0.456 123 F N 0.538 120.578 119.950 0.150 0.000 2.325 123 F HA -0.110 4.417 4.527 -0.000 0.000 0.299 123 F C 2.598 178.484 175.800 0.144 0.000 1.090 123 F CA 0.877 58.971 58.000 0.158 0.000 1.392 123 F CB -0.271 38.814 39.000 0.142 0.000 1.053 123 F HN 0.300 nan 8.300 nan 0.000 0.521 124 S N 0.086 115.946 115.700 0.267 0.000 2.496 124 S HA -0.011 4.459 4.470 -0.000 0.000 0.224 124 S C 1.636 176.335 174.600 0.165 0.000 0.996 124 S CA 0.381 58.698 58.200 0.194 0.000 0.927 124 S CB -0.485 62.796 63.200 0.135 0.000 0.774 124 S HN 0.421 nan 8.310 nan 0.000 0.524 125 L N 0.690 122.009 121.223 0.160 0.000 2.249 125 L HA 0.109 4.449 4.340 -0.000 0.000 0.207 125 L C 2.500 179.467 176.870 0.161 0.000 1.090 125 L CA 0.389 55.307 54.840 0.131 0.000 0.802 125 L CB -0.309 41.810 42.059 0.100 0.000 0.947 125 L HN 0.224 nan 8.230 nan 0.000 0.453 126 V N 0.285 120.338 119.914 0.232 0.000 2.261 126 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 126 V C 2.719 179.000 176.094 0.311 0.000 1.047 126 V CA 1.915 64.384 62.300 0.282 0.000 1.015 126 V CB -0.831 31.250 31.823 0.431 0.000 0.642 126 V HN 0.473 nan 8.190 nan 0.000 0.446 127 A N -0.817 122.186 122.820 0.306 0.000 2.019 127 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 127 A C 2.174 179.907 177.584 0.250 0.000 1.164 127 A CA 1.534 53.776 52.037 0.342 0.000 0.644 127 A CB -0.453 18.697 19.000 0.249 0.000 0.805 127 A HN 0.521 nan 8.150 nan 0.000 0.449 128 L N -1.187 120.135 121.223 0.165 0.000 2.341 128 L HA -0.002 4.338 4.340 -0.000 0.000 0.214 128 L C 2.420 179.333 176.870 0.072 0.000 1.115 128 L CA 0.898 55.792 54.840 0.090 0.000 0.820 128 L CB 0.077 42.184 42.059 0.081 0.000 0.944 128 L HN 0.290 nan 8.230 nan 0.000 0.452 129 S N -1.346 114.418 115.700 0.107 0.000 2.470 129 S HA -0.092 4.378 4.470 -0.000 0.000 0.222 129 S C 1.735 176.383 174.600 0.079 0.000 1.024 129 S CA 0.221 58.469 58.200 0.080 0.000 0.931 129 S CB -0.041 63.199 63.200 0.067 0.000 0.791 129 S HN 0.538 nan 8.310 nan 0.000 0.513 130 Y N 2.473 122.797 120.300 0.041 0.000 2.293 130 Y HA 0.110 4.660 4.550 -0.000 0.000 0.291 130 Y C -1.341 174.546 175.900 -0.022 0.000 1.137 130 Y CA 0.761 58.884 58.100 0.039 0.000 1.202 130 Y CB -1.885 36.643 38.460 0.112 0.000 0.990 130 Y HN 0.173 nan 8.280 nan 0.000 0.537 131 P HA -0.078 nan 4.420 nan 0.000 0.214 131 P C 1.989 179.046 177.300 -0.405 0.000 1.162 131 P CA 2.624 65.279 63.100 -0.742 0.000 0.879 131 P CB -0.425 30.899 31.700 -0.627 0.000 0.786 132 G N -0.364 108.269 108.800 -0.278 0.000 2.432 132 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.219 132 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.219 132 G C 1.451 176.228 174.900 -0.206 0.000 1.135 132 G CA 0.491 45.408 45.100 -0.305 0.000 0.767 132 G HN 0.226 nan 8.290 nan 0.000 0.550 133 L N 0.303 121.467 121.223 -0.100 0.000 2.341 133 L HA 0.131 4.471 4.340 -0.000 0.000 0.214 133 L C 3.237 180.110 176.870 0.005 0.000 1.115 133 L CA 0.578 55.407 54.840 -0.019 0.000 0.820 133 L CB -0.207 41.871 42.059 0.031 0.000 0.944 133 L HN 0.291 nan 8.230 nan 0.000 0.452 134 A N 0.241 123.047 122.820 -0.023 0.000 2.015 134 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 134 A C 2.187 179.773 177.584 0.003 0.000 1.163 134 A CA 1.140 53.213 52.037 0.061 0.000 0.646 134 A CB -0.290 18.734 19.000 0.040 0.000 0.806 134 A HN 0.330 nan 8.150 nan 0.000 0.448 135 L N -1.244 119.820 121.223 -0.266 0.000 2.062 135 L HA -0.022 4.318 4.340 -0.000 0.000 0.202 135 L C 3.023 179.853 176.870 -0.067 0.000 1.079 135 L CA 0.964 55.460 54.840 -0.573 0.000 0.755 135 L CB -0.921 40.423 42.059 -1.191 0.000 0.913 135 L HN 0.353 nan 8.230 nan 0.000 0.445 136 A N 0.457 123.250 122.820 -0.045 0.000 2.084 136 A HA -0.156 4.164 4.320 -0.000 0.000 0.221 136 A C 2.153 179.816 177.584 0.132 0.000 1.161 136 A CA 1.871 53.968 52.037 0.099 0.000 0.653 136 A CB -0.942 18.092 19.000 0.057 0.000 0.802 136 A HN 0.404 nan 8.150 nan 0.000 0.457 137 V N -2.409 117.575 119.914 0.118 0.000 3.041 137 V HA -0.046 4.074 4.120 -0.000 0.000 0.260 137 V C 0.418 176.592 176.094 0.132 0.000 1.105 137 V CA 1.093 63.461 62.300 0.113 0.000 1.125 137 V CB -1.329 30.557 31.823 0.105 0.000 0.730 137 V HN 0.551 nan 8.190 nan 0.000 0.479 138 N N 1.485 120.304 118.700 0.199 0.000 2.807 138 N HA 0.433 5.173 4.740 -0.000 0.000 0.259 138 N C 0.574 176.192 175.510 0.180 0.000 1.149 138 N CA -0.180 52.992 53.050 0.203 0.000 1.042 138 N CB 0.572 39.265 38.487 0.344 0.000 1.367 138 N HN 0.371 nan 8.380 nan 0.000 0.516 139 L N 0.884 122.172 121.223 0.109 0.000 2.633 139 L HA -0.111 4.229 4.340 -0.000 0.000 0.235 139 L C 1.461 178.351 176.870 0.033 0.000 1.163 139 L CA 0.776 55.664 54.840 0.080 0.000 0.859 139 L CB -0.612 41.481 42.059 0.056 0.000 0.973 139 L HN 0.626 nan 8.230 nan 0.000 0.451 140 N N -0.784 117.921 118.700 0.009 0.000 2.415 140 N HA -0.046 4.694 4.740 -0.000 0.000 0.176 140 N C 0.600 176.044 175.510 -0.110 0.000 1.042 140 N CA -0.019 52.994 53.050 -0.061 0.000 0.902 140 N CB 0.134 38.575 38.487 -0.078 0.000 0.986 140 N HN 0.075 nan 8.380 nan 0.000 0.447 141 R N 1.428 121.895 120.500 -0.054 0.000 2.235 141 R HA 0.171 4.511 4.340 -0.000 0.000 0.338 141 R C -1.870 174.404 176.300 -0.042 0.000 1.087 141 R CA -1.688 54.333 56.100 -0.132 0.000 0.948 141 R CB 0.657 30.840 30.300 -0.196 0.000 1.099 141 R HN 0.217 nan 8.270 nan 0.000 0.483 142 P HA -0.126 nan 4.420 nan 0.000 0.218 142 P C 1.051 178.459 177.300 0.181 0.000 1.146 142 P CA 1.100 64.237 63.100 0.062 0.000 0.813 142 P CB 0.253 31.983 31.700 0.050 0.000 0.778 143 L N -3.265 118.067 121.223 0.182 0.000 2.341 143 L HA 0.014 4.354 4.340 -0.000 0.000 0.214 143 L C 0.862 178.020 176.870 0.480 0.000 1.115 143 L CA 0.422 55.442 54.840 0.301 0.000 0.820 143 L CB -0.564 41.649 42.059 0.257 0.000 0.944 143 L HN 0.042 nan 8.230 nan 0.000 0.452 144 W N 3.153 124.598 121.300 0.242 0.000 1.694 144 W HA 0.158 4.818 4.660 -0.000 0.000 0.425 144 W C 0.890 177.507 176.519 0.163 0.000 0.615 144 W CA -1.482 55.971 57.345 0.180 0.000 2.237 144 W CB -1.502 28.041 29.460 0.138 0.000 1.478 144 W HN 0.314 nan 8.180 nan 0.000 0.427 145 N N -1.383 117.570 118.700 0.423 0.000 2.366 145 N HA 0.275 5.015 4.740 -0.000 0.000 0.277 145 N C 1.655 177.309 175.510 0.241 0.000 1.275 145 N CA -0.016 53.211 53.050 0.295 0.000 0.964 145 N CB 0.529 39.178 38.487 0.271 0.000 1.167 145 N HN 0.055 nan 8.380 nan 0.000 0.568 146 G N 0.117 109.028 108.800 0.185 0.000 2.503 146 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.221 146 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.221 146 G C 1.342 176.332 174.900 0.151 0.000 1.131 146 G CA 0.518 45.705 45.100 0.145 0.000 0.756 146 G HN 0.525 nan 8.290 nan 0.000 0.572 147 L N 0.051 121.392 121.223 0.196 0.000 2.261 147 L HA -0.097 4.243 4.340 -0.000 0.000 0.216 147 L C 2.839 179.808 176.870 0.164 0.000 1.114 147 L CA 0.615 55.570 54.840 0.192 0.000 0.777 147 L CB -0.194 42.030 42.059 0.275 0.000 0.910 147 L HN 0.236 nan 8.230 nan 0.000 0.440 148 M N -1.120 118.577 119.600 0.162 0.000 2.279 148 M HA -0.145 4.335 4.480 -0.000 0.000 0.264 148 M C 2.327 178.714 176.300 0.146 0.000 1.062 148 M CA 1.565 56.957 55.300 0.154 0.000 1.099 148 M CB -1.235 31.366 32.600 0.002 0.000 1.394 148 M HN 0.261 nan 8.290 nan 0.000 0.426 149 A N -0.458 122.422 122.820 0.099 0.000 2.167 149 A HA 0.224 4.544 4.320 -0.000 0.000 0.214 149 A C 2.293 179.938 177.584 0.102 0.000 1.151 149 A CA 1.414 53.499 52.037 0.080 0.000 0.735 149 A CB -0.813 18.222 19.000 0.057 0.000 0.802 149 A HN 0.514 nan 8.150 nan 0.000 0.467 150 G N -0.830 108.042 108.800 0.119 0.000 2.641 150 G HA2 0.129 4.089 3.960 -0.000 0.000 0.207 150 G HA3 0.129 4.089 3.960 -0.000 0.000 0.207 150 G C 1.397 176.356 174.900 0.098 0.000 1.137 150 G CA 0.331 45.491 45.100 0.099 0.000 0.824 150 G HN 0.323 nan 8.290 nan 0.000 0.547 151 L N -0.293 121.004 121.223 0.122 0.000 2.093 151 L HA 0.067 4.407 4.340 -0.000 0.000 0.208 151 L C 2.584 179.448 176.870 -0.010 0.000 1.085 151 L CA 0.801 55.672 54.840 0.052 0.000 0.755 151 L CB -0.322 41.760 42.059 0.039 0.000 0.904 151 L HN 0.106 nan 8.230 nan 0.000 0.435 152 F N -0.086 119.849 119.950 -0.025 0.000 2.163 152 F HA -0.036 4.491 4.527 -0.000 0.000 0.297 152 F C -0.172 175.610 175.800 -0.029 0.000 1.094 152 F CA 0.874 58.858 58.000 -0.028 0.000 1.290 152 F CB -1.861 37.122 39.000 -0.028 0.000 1.017 152 F HN 0.046 nan 8.300 nan 0.000 0.483 153 P HA -0.131 nan 4.420 nan 0.000 0.216 153 P C 1.969 179.278 177.300 0.014 0.000 1.153 153 P CA 1.462 64.596 63.100 0.057 0.000 0.848 153 P CB -0.018 31.718 31.700 0.060 0.000 0.787 154 L N -1.738 119.487 121.223 0.003 0.000 2.141 154 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 154 L C 2.354 179.191 176.870 -0.055 0.000 1.094 154 L CA 1.499 56.329 54.840 -0.017 0.000 0.763 154 L CB -1.151 40.903 42.059 -0.008 0.000 0.908 154 L HN 0.034 nan 8.230 nan 0.000 0.437 155 T N -0.928 113.565 114.554 -0.103 0.000 2.985 155 T HA 0.011 4.361 4.350 -0.000 0.000 0.266 155 T C 1.838 176.461 174.700 -0.128 0.000 1.076 155 T CA 0.972 62.978 62.100 -0.157 0.000 1.135 155 T CB 0.095 68.786 68.868 -0.295 0.000 0.890 155 T HN 0.409 nan 8.240 nan 0.000 0.480 156 A N 0.682 123.449 122.820 -0.088 0.000 2.014 156 A HA 0.148 4.468 4.320 -0.000 0.000 0.218 156 A C 2.120 179.684 177.584 -0.033 0.000 1.163 156 A CA 0.879 52.884 52.037 -0.054 0.000 0.652 156 A CB -0.469 18.520 19.000 -0.018 0.000 0.808 156 A HN 0.505 nan 8.150 nan 0.000 0.449 157 L N -0.807 120.398 121.223 -0.029 0.000 2.095 157 L HA -0.085 4.255 4.340 -0.000 0.000 0.204 157 L C 2.408 179.258 176.870 -0.034 0.000 1.080 157 L CA 0.697 55.527 54.840 -0.016 0.000 0.759 157 L CB -0.509 41.544 42.059 -0.010 0.000 0.914 157 L HN 0.202 nan 8.230 nan 0.000 0.439 158 V N 0.328 120.207 119.914 -0.058 0.000 2.490 158 V HA -0.278 3.842 4.120 -0.000 0.000 0.250 158 V C 2.398 178.438 176.094 -0.089 0.000 1.061 158 V CA 1.523 63.776 62.300 -0.078 0.000 1.064 158 V CB -0.429 31.338 31.823 -0.093 0.000 0.670 158 V HN 0.345 nan 8.190 nan 0.000 0.461 159 L N -0.011 121.162 121.223 -0.084 0.000 2.027 159 L HA -0.118 4.222 4.340 -0.000 0.000 0.206 159 L C 2.787 179.618 176.870 -0.065 0.000 1.074 159 L CA 1.624 56.412 54.840 -0.087 0.000 0.745 159 L CB -0.870 41.143 42.059 -0.078 0.000 0.898 159 L HN 0.354 nan 8.230 nan 0.000 0.433 160 A N 0.220 123.026 122.820 -0.023 0.000 1.877 160 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 160 A C 2.226 179.830 177.584 0.033 0.000 1.186 160 A CA 1.431 53.485 52.037 0.028 0.000 0.620 160 A CB -0.741 18.300 19.000 0.068 0.000 0.822 160 A HN 0.354 nan 8.150 nan 0.000 0.443 161 L N -0.717 120.511 121.223 0.007 0.000 2.141 161 L HA -0.070 4.270 4.340 -0.000 0.000 0.209 161 L C 2.752 179.566 176.870 -0.094 0.000 1.094 161 L CA 0.833 55.666 54.840 -0.012 0.000 0.763 161 L CB -0.623 41.432 42.059 -0.007 0.000 0.908 161 L HN 0.497 nan 8.230 nan 0.000 0.437 162 G N -0.169 108.557 108.800 -0.123 0.000 2.408 162 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.217 162 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.217 162 G C 1.577 176.325 174.900 -0.254 0.000 1.150 162 G CA 0.220 45.200 45.100 -0.200 0.000 0.776 162 G HN 0.202 nan 8.290 nan 0.000 0.542 163 L N 0.671 121.779 121.223 -0.192 0.000 2.044 163 L HA 0.061 4.401 4.340 -0.000 0.000 0.205 163 L C 3.150 179.936 176.870 -0.139 0.000 1.075 163 L CA 1.782 56.503 54.840 -0.197 0.000 0.747 163 L CB -0.739 41.241 42.059 -0.131 0.000 0.903 163 L HN 0.316 nan 8.230 nan 0.000 0.435 164 A N 0.034 122.835 122.820 -0.032 0.000 1.948 164 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 164 A C 2.358 179.831 177.584 -0.184 0.000 1.177 164 A CA 1.912 53.958 52.037 0.016 0.000 0.636 164 A CB -0.747 18.238 19.000 -0.024 0.000 0.815 164 A HN 0.582 nan 8.150 nan 0.000 0.449 165 A N -0.865 121.817 122.820 -0.230 0.000 2.066 165 A HA 0.180 4.500 4.320 -0.000 0.000 0.218 165 A C 2.069 179.522 177.584 -0.219 0.000 1.157 165 A CA 1.086 52.976 52.037 -0.245 0.000 0.670 165 A CB -0.392 18.476 19.000 -0.220 0.000 0.804 165 A HN 0.466 nan 8.150 nan 0.000 0.453 166 L N -0.640 120.434 121.223 -0.249 0.000 2.179 166 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 166 L C 1.683 178.462 176.870 -0.151 0.000 1.096 166 L CA 0.587 55.278 54.840 -0.248 0.000 0.779 166 L CB -0.303 41.516 42.059 -0.399 0.000 0.922 166 L HN 0.330 nan 8.230 nan 0.000 0.443 167 L N -0.095 121.045 121.223 -0.138 0.000 2.675 167 L HA -0.018 4.322 4.340 -0.000 0.000 0.239 167 L C 0.592 177.423 176.870 -0.065 0.000 1.151 167 L CA 0.018 54.809 54.840 -0.081 0.000 0.905 167 L CB -0.342 41.684 42.059 -0.056 0.000 1.057 167 L HN 0.232 nan 8.230 nan 0.000 0.435 168 K N -0.997 119.338 120.400 -0.107 0.000 3.209 168 K HA -0.144 4.176 4.320 -0.000 0.000 0.289 168 K C 0.194 176.698 176.600 -0.160 0.000 1.191 168 K CA 0.409 56.627 56.287 -0.115 0.000 0.851 168 K CB -2.208 30.253 32.500 -0.065 0.000 1.242 168 K HN 0.287 nan 8.250 nan 0.000 0.480 169 S N 1.699 117.243 115.700 -0.259 0.000 2.516 169 S HA 0.155 4.625 4.470 -0.000 0.000 0.282 169 S C -0.983 173.239 174.600 -0.629 0.000 1.286 169 S CA -1.069 56.838 58.200 -0.489 0.000 1.066 169 S CB 1.152 63.831 63.200 -0.868 0.000 0.884 169 S HN 0.062 nan 8.310 nan 0.000 0.491 170 P HA -0.066 nan 4.420 nan 0.000 0.216 170 P C 0.243 177.433 177.300 -0.183 0.000 1.150 170 P CA 0.771 63.736 63.100 -0.224 0.000 0.837 170 P CB -0.024 31.648 31.700 -0.048 0.000 0.786 171 W N -0.785 120.525 121.300 0.017 0.000 2.433 171 W HA 0.657 5.317 4.660 -0.000 0.000 0.331 171 W C -0.073 176.450 176.519 0.007 0.000 1.110 171 W CA -0.431 56.927 57.345 0.021 0.000 1.450 171 W CB 0.066 29.520 29.460 -0.010 0.000 1.348 171 W HN 0.092 nan 8.180 nan 0.000 0.415 172 A N 2.738 125.606 122.820 0.081 0.000 2.973 172 A HA -0.164 4.156 4.320 -0.000 0.000 0.215 172 A C 0.902 178.471 177.584 -0.026 0.000 2.234 172 A CA 0.235 52.272 52.037 -0.000 0.000 1.408 172 A CB -1.133 17.632 19.000 -0.391 0.000 0.698 172 A HN 0.520 nan 8.150 nan 0.000 0.460 173 L N -0.078 121.121 121.223 -0.040 0.000 2.362 173 L HA 0.219 4.559 4.340 -0.000 0.000 0.219 173 L C 1.683 178.622 176.870 0.115 0.000 1.134 173 L CA 2.603 57.443 54.840 0.000 0.000 0.807 173 L CB -0.467 41.584 42.059 -0.014 0.000 0.927 173 L HN 0.621 nan 8.230 nan 0.000 0.447 174 F N 1.159 121.122 119.950 0.023 0.000 2.243 174 F HA 0.232 4.759 4.527 -0.000 0.000 0.287 174 F C -0.786 175.055 175.800 0.068 0.000 1.067 174 F CA -0.178 57.855 58.000 0.055 0.000 1.304 174 F CB -1.650 37.384 39.000 0.057 0.000 1.087 174 F HN 0.052 nan 8.300 nan 0.000 0.513 175 P HA -0.179 nan 4.420 nan 0.000 0.218 175 P C 2.111 179.317 177.300 -0.156 0.000 1.149 175 P CA 1.319 64.266 63.100 -0.255 0.000 0.817 175 P CB -0.278 31.399 31.700 -0.039 0.000 0.785 176 L N 0.131 121.306 121.223 -0.080 0.000 2.079 176 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 176 L C 2.495 179.331 176.870 -0.056 0.000 1.081 176 L CA 1.830 56.628 54.840 -0.070 0.000 0.752 176 L CB -0.758 41.253 42.059 -0.081 0.000 0.896 176 L HN -0.218 nan 8.230 nan 0.000 0.433 177 R N -1.337 119.154 120.500 -0.016 0.000 2.119 177 R HA -0.019 4.321 4.340 -0.000 0.000 0.222 177 R C 2.090 178.508 176.300 0.197 0.000 1.088 177 R CA 1.185 57.386 56.100 0.168 0.000 0.984 177 R CB -0.399 30.083 30.300 0.304 0.000 0.884 177 R HN 0.310 nan 8.270 nan 0.000 0.447 178 V N 1.625 121.495 119.914 -0.073 0.000 2.244 178 V HA -0.201 3.919 4.120 -0.000 0.000 0.244 178 V C 2.283 178.361 176.094 -0.027 0.000 1.042 178 V CA 1.611 63.843 62.300 -0.113 0.000 1.006 178 V CB -0.402 31.227 31.823 -0.323 0.000 0.641 178 V HN 0.255 nan 8.190 nan 0.000 0.446 179 L N 0.119 121.312 121.223 -0.051 0.000 2.201 179 L HA -0.106 4.234 4.340 -0.000 0.000 0.212 179 L C 2.561 179.436 176.870 0.009 0.000 1.105 179 L CA 1.289 56.116 54.840 -0.022 0.000 0.775 179 L CB -0.673 41.363 42.059 -0.038 0.000 0.913 179 L HN 0.378 nan 8.230 nan 0.000 0.440 180 A N 0.017 122.857 122.820 0.034 0.000 2.016 180 A HA 0.039 4.359 4.320 -0.000 0.000 0.217 180 A C 2.368 180.064 177.584 0.187 0.000 1.162 180 A CA 1.161 53.223 52.037 0.042 0.000 0.662 180 A CB -0.742 18.214 19.000 -0.073 0.000 0.812 180 A HN 0.396 nan 8.150 nan 0.000 0.450 181 G N -0.314 108.666 108.800 0.300 0.000 2.403 181 G HA2 0.088 4.048 3.960 -0.000 0.000 0.216 181 G HA3 0.088 4.048 3.960 -0.000 0.000 0.216 181 G C 1.705 176.675 174.900 0.116 0.000 1.154 181 G CA 1.220 46.481 45.100 0.270 0.000 0.784 181 G HN 0.669 nan 8.290 nan 0.000 0.538 182 A N 1.164 124.028 122.820 0.074 0.000 1.845 182 A HA -0.010 4.310 4.320 -0.000 0.000 0.215 182 A C 2.711 180.325 177.584 0.051 0.000 1.195 182 A CA 2.336 54.401 52.037 0.047 0.000 0.616 182 A CB -0.844 18.172 19.000 0.027 0.000 0.832 182 A HN 0.306 nan 8.150 nan 0.000 0.443 183 S N 0.163 115.885 115.700 0.037 0.000 2.374 183 S HA -0.159 4.311 4.470 -0.000 0.000 0.227 183 S C 1.779 176.399 174.600 0.033 0.000 1.037 183 S CA 1.749 59.958 58.200 0.015 0.000 1.024 183 S CB -0.545 62.639 63.200 -0.026 0.000 0.861 183 S HN 0.479 nan 8.310 nan 0.000 0.456 184 L N 0.370 121.630 121.223 0.062 0.000 2.217 184 L HA 0.015 4.355 4.340 -0.000 0.000 0.211 184 L C 2.293 179.219 176.870 0.093 0.000 1.107 184 L CA 0.355 55.240 54.840 0.076 0.000 0.783 184 L CB -0.421 41.709 42.059 0.117 0.000 0.919 184 L HN 0.235 nan 8.230 nan 0.000 0.442 185 L N 0.010 121.287 121.223 0.090 0.000 2.023 185 L HA -0.139 4.201 4.340 -0.000 0.000 0.205 185 L C 2.302 179.236 176.870 0.107 0.000 1.073 185 L CA 1.700 56.593 54.840 0.087 0.000 0.745 185 L CB -0.391 41.707 42.059 0.065 0.000 0.900 185 L HN 0.086 nan 8.230 nan 0.000 0.435 186 L N -0.576 120.709 121.223 0.103 0.000 2.131 186 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 186 L C 2.609 179.595 176.870 0.193 0.000 1.092 186 L CA 1.183 56.102 54.840 0.132 0.000 0.759 186 L CB -1.243 40.880 42.059 0.106 0.000 0.903 186 L HN 0.379 nan 8.230 nan 0.000 0.435 187 A N 0.185 123.105 122.820 0.166 0.000 1.969 187 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 187 A C 2.231 180.042 177.584 0.378 0.000 1.169 187 A CA 1.279 53.457 52.037 0.235 0.000 0.635 187 A CB -0.426 18.608 19.000 0.056 0.000 0.810 187 A HN 0.351 nan 8.150 nan 0.000 0.445 188 L N -0.619 120.758 121.223 0.257 0.000 2.179 188 L HA 0.096 4.436 4.340 -0.000 0.000 0.208 188 L C 1.807 178.810 176.870 0.220 0.000 1.096 188 L CA 1.429 56.419 54.840 0.249 0.000 0.779 188 L CB -0.217 41.936 42.059 0.157 0.000 0.922 188 L HN 0.355 nan 8.230 nan 0.000 0.443 189 L N -1.920 119.424 121.223 0.202 0.000 2.558 189 L HA -0.030 4.310 4.340 -0.000 0.000 0.225 189 L C 2.191 179.175 176.870 0.189 0.000 1.128 189 L CA 0.122 55.057 54.840 0.157 0.000 0.868 189 L CB -0.853 41.284 42.059 0.129 0.000 1.006 189 L HN 0.271 nan 8.230 nan 0.000 0.454 190 Y N 2.922 123.314 120.300 0.154 0.000 2.053 190 Y HA -0.162 4.388 4.550 -0.000 0.000 0.277 190 Y C -0.512 175.447 175.900 0.098 0.000 1.159 190 Y CA 1.575 59.768 58.100 0.155 0.000 1.125 190 Y CB -1.620 36.982 38.460 0.237 0.000 0.969 190 Y HN 0.103 nan 8.280 nan 0.000 0.492 191 P HA -0.172 nan 4.420 nan 0.000 0.219 191 P C 1.520 178.674 177.300 -0.243 0.000 1.146 191 P CA 1.817 64.653 63.100 -0.440 0.000 0.808 191 P CB -0.211 31.335 31.700 -0.258 0.000 0.779 192 L N -2.225 118.930 121.223 -0.114 0.000 2.552 192 L HA 0.008 4.348 4.340 -0.000 0.000 0.227 192 L C 1.855 178.703 176.870 -0.038 0.000 1.146 192 L CA 0.984 55.795 54.840 -0.049 0.000 0.858 192 L CB -0.833 41.227 42.059 0.001 0.000 0.969 192 L HN -0.022 nan 8.230 nan 0.000 0.451 193 T N -0.061 114.454 114.554 -0.064 0.000 3.086 193 T HA 0.288 4.638 4.350 -0.000 0.000 0.250 193 T C 0.608 175.288 174.700 -0.034 0.000 1.074 193 T CA -0.016 62.077 62.100 -0.013 0.000 0.988 193 T CB 0.021 68.925 68.868 0.059 0.000 0.988 193 T HN 0.000 nan 8.240 nan 0.000 0.530 194 L N 1.945 123.109 121.223 -0.098 0.000 2.344 194 L HA 0.502 4.842 4.340 -0.000 0.000 0.272 194 L C -2.225 174.636 176.870 -0.015 0.000 1.035 194 L CA -2.581 52.222 54.840 -0.062 0.000 0.807 194 L CB 0.970 42.948 42.059 -0.135 0.000 1.237 194 L HN -0.137 nan 8.230 nan 0.000 0.442 195 P HA 0.120 nan 4.420 nan 0.000 0.271 195 P C -2.097 175.223 177.300 0.033 0.000 1.218 195 P CA -1.102 62.017 63.100 0.032 0.000 0.780 195 P CB 0.162 31.891 31.700 0.049 0.000 0.901 196 P HA -0.273 nan 4.420 nan 0.000 0.219 196 P C 1.021 178.347 177.300 0.042 0.000 1.161 196 P CA 1.849 64.962 63.100 0.022 0.000 0.909 196 P CB -0.082 31.631 31.700 0.021 0.000 0.793 197 E N -0.508 119.742 120.200 0.082 0.000 2.153 197 E HA -0.103 4.247 4.350 -0.000 0.000 0.194 197 E C 2.066 178.784 176.600 0.196 0.000 0.988 197 E CA 1.482 57.966 56.400 0.140 0.000 0.811 197 E CB -1.287 28.521 29.700 0.180 0.000 0.746 197 E HN 0.247 nan 8.360 nan 0.000 0.466 198 A N 1.220 124.172 122.820 0.221 0.000 1.898 198 A HA -0.083 4.237 4.320 -0.000 0.000 0.214 198 A C 2.204 179.811 177.584 0.037 0.000 1.183 198 A CA 1.389 53.572 52.037 0.243 0.000 0.622 198 A CB -0.417 18.764 19.000 0.301 0.000 0.824 198 A HN 0.172 nan 8.150 nan 0.000 0.444 199 R N -0.274 120.219 120.500 -0.011 0.000 2.081 199 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 199 R C 2.147 178.394 176.300 -0.088 0.000 1.131 199 R CA 1.700 57.745 56.100 -0.090 0.000 0.960 199 R CB -0.722 29.521 30.300 -0.093 0.000 0.856 199 R HN 0.403 nan 8.270 nan 0.000 0.436 200 G N -0.507 108.264 108.800 -0.049 0.000 2.422 200 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.218 200 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.218 200 G C 1.238 176.074 174.900 -0.106 0.000 1.140 200 G CA 1.149 46.215 45.100 -0.057 0.000 0.775 200 G HN 0.545 nan 8.290 nan 0.000 0.545 201 H N -0.057 118.856 119.070 -0.261 0.000 2.333 201 H HA 0.063 4.619 4.556 -0.000 0.000 0.302 201 H C 2.333 177.448 175.328 -0.354 0.000 1.075 201 H CA 1.340 57.108 56.048 -0.466 0.000 1.348 201 H CB -0.248 28.848 29.762 -1.109 0.000 1.393 201 H HN 0.184 nan 8.280 nan 0.000 0.509 202 L N 0.362 121.422 121.223 -0.272 0.000 2.013 202 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 202 L C 2.098 178.851 176.870 -0.195 0.000 1.073 202 L CA 1.694 56.408 54.840 -0.210 0.000 0.753 202 L CB -0.727 41.259 42.059 -0.121 0.000 0.890 202 L HN 0.421 nan 8.230 nan 0.000 0.432 203 L N -0.863 120.260 121.223 -0.167 0.000 2.017 203 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 203 L C 2.544 179.353 176.870 -0.101 0.000 1.073 203 L CA 1.740 56.515 54.840 -0.108 0.000 0.745 203 L CB -0.729 41.279 42.059 -0.085 0.000 0.894 203 L HN 0.359 nan 8.230 nan 0.000 0.432 204 E N -0.097 120.010 120.200 -0.155 0.000 2.023 204 E HA -0.212 4.138 4.350 -0.000 0.000 0.196 204 E C 2.173 178.683 176.600 -0.149 0.000 1.003 204 E CA 1.380 57.693 56.400 -0.145 0.000 0.809 204 E CB 0.014 29.613 29.700 -0.168 0.000 0.755 204 E HN 0.403 nan 8.360 nan 0.000 0.449 205 E N 0.122 120.159 120.200 -0.272 0.000 2.150 205 E HA -0.068 4.282 4.350 -0.000 0.000 0.193 205 E C 0.855 177.445 176.600 -0.017 0.000 0.985 205 E CA 0.953 57.229 56.400 -0.207 0.000 0.814 205 E CB 0.138 29.590 29.700 -0.414 0.000 0.752 205 E HN 0.212 nan 8.360 nan 0.000 0.466 206 A N -0.935 121.896 122.820 0.019 0.000 3.891 206 A HA 0.681 5.001 4.320 -0.000 0.000 0.173 206 A C 1.038 178.743 177.584 0.201 0.000 0.735 206 A CA 0.383 52.551 52.037 0.217 0.000 0.892 206 A CB 0.512 19.662 19.000 0.249 0.000 1.601 206 A HN 0.194 nan 8.150 nan 0.000 0.796 207 G N -0.948 108.015 108.800 0.271 0.000 3.675 207 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.275 207 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.275 207 G C 1.151 176.177 174.900 0.209 0.000 1.648 207 G CA 1.072 46.305 45.100 0.222 0.000 1.093 207 G HN 1.883 nan 8.290 nan 0.000 0.617 208 F N 1.278 121.201 119.950 -0.046 0.000 2.146 208 F HA -0.230 4.297 4.527 -0.000 0.000 0.298 208 F C 2.216 177.791 175.800 -0.375 0.000 1.053 208 F CA 3.069 60.935 58.000 -0.223 0.000 1.285 208 F CB -0.286 38.506 39.000 -0.347 0.000 1.039 208 F HN 0.437 nan 8.300 nan 0.000 0.497 209 W N -1.860 119.443 121.300 0.004 0.000 2.480 209 W HA -0.068 4.592 4.660 -0.000 0.000 0.299 209 W C 2.388 178.690 176.519 -0.361 0.000 1.187 209 W CA 0.987 58.176 57.345 -0.260 0.000 1.347 209 W CB -1.030 28.439 29.460 0.015 0.000 1.121 209 W HN 0.063 nan 8.180 nan 0.000 0.533 210 Y N 0.914 121.302 120.300 0.145 0.000 2.070 210 Y HA -0.214 4.336 4.550 -0.000 0.000 0.280 210 Y C 2.515 178.450 175.900 0.058 0.000 1.148 210 Y CA 2.468 60.690 58.100 0.203 0.000 1.125 210 Y CB -0.975 37.606 38.460 0.202 0.000 0.975 210 Y HN -0.081 nan 8.280 nan 0.000 0.492 211 G N -0.273 108.616 108.800 0.148 0.000 2.462 211 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.220 211 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.220 211 G C 1.566 176.362 174.900 -0.173 0.000 1.121 211 G CA 1.096 46.196 45.100 0.001 0.000 0.758 211 G HN 0.458 nan 8.290 nan 0.000 0.559 212 L N -1.003 119.991 121.223 -0.381 0.000 2.179 212 L HA 0.281 4.621 4.340 -0.000 0.000 0.208 212 L C 2.250 178.978 176.870 -0.237 0.000 1.096 212 L CA 1.222 55.789 54.840 -0.455 0.000 0.779 212 L CB -0.289 41.309 42.059 -0.767 0.000 0.922 212 L HN 0.116 nan 8.230 nan 0.000 0.443 213 F N -0.683 119.229 119.950 -0.063 0.000 2.325 213 F HA -0.043 4.484 4.527 -0.000 0.000 0.299 213 F C 2.142 177.878 175.800 -0.105 0.000 1.090 213 F CA 0.776 58.734 58.000 -0.069 0.000 1.392 213 F CB -0.771 38.176 39.000 -0.088 0.000 1.053 213 F HN 0.019 nan 8.300 nan 0.000 0.521 214 L N -0.893 120.351 121.223 0.034 0.000 2.005 214 L HA -0.204 4.136 4.340 -0.000 0.000 0.207 214 L C 2.469 179.361 176.870 0.037 0.000 1.072 214 L CA 1.083 55.930 54.840 0.012 0.000 0.744 214 L CB -0.798 41.271 42.059 0.017 0.000 0.895 214 L HN 0.111 nan 8.230 nan 0.000 0.433 215 L N -0.606 120.623 121.223 0.010 0.000 1.970 215 L HA -0.293 4.047 4.340 -0.000 0.000 0.212 215 L C 2.667 179.563 176.870 0.043 0.000 1.071 215 L CA 1.297 56.145 54.840 0.013 0.000 0.751 215 L CB -0.666 41.372 42.059 -0.035 0.000 0.889 215 L HN 0.307 nan 8.230 nan 0.000 0.432 216 L N 0.157 121.413 121.223 0.054 0.000 2.026 216 L HA -0.297 4.043 4.340 -0.000 0.000 0.231 216 L C 2.480 179.394 176.870 0.073 0.000 1.095 216 L CA 2.436 57.333 54.840 0.095 0.000 0.810 216 L CB -1.471 40.693 42.059 0.176 0.000 0.909 216 L HN 0.441 nan 8.230 nan 0.000 0.444 217 G N -0.806 108.026 108.800 0.053 0.000 2.516 217 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.221 217 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.221 217 G C 1.581 176.440 174.900 -0.067 0.000 1.107 217 G CA 0.426 45.515 45.100 -0.018 0.000 0.747 217 G HN 0.380 nan 8.290 nan 0.000 0.567 218 L N 0.491 121.738 121.223 0.040 0.000 2.376 218 L HA 0.065 4.405 4.340 -0.000 0.000 0.219 218 L C 2.813 179.742 176.870 0.098 0.000 1.133 218 L CA 0.566 55.488 54.840 0.136 0.000 0.816 218 L CB -0.234 41.927 42.059 0.170 0.000 0.933 218 L HN 0.316 nan 8.230 nan 0.000 0.449 219 G N -0.994 107.849 108.800 0.073 0.000 2.848 219 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.208 219 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.208 219 G C 1.339 176.251 174.900 0.021 0.000 1.152 219 G CA 0.475 45.683 45.100 0.179 0.000 0.789 219 G HN 0.253 nan 8.290 nan 0.000 0.531 220 T N 0.429 114.815 114.554 -0.280 0.000 3.085 220 T HA 0.061 4.411 4.350 -0.000 0.000 0.263 220 T C 1.303 175.718 174.700 -0.475 0.000 1.127 220 T CA 0.367 62.192 62.100 -0.459 0.000 1.103 220 T CB -0.234 68.216 68.868 -0.696 0.000 0.921 220 T HN 0.422 nan 8.240 nan 0.000 0.510 221 F N -1.302 118.730 119.950 0.135 0.000 2.653 221 F HA 0.368 4.895 4.527 -0.000 0.000 0.304 221 F C 1.308 177.239 175.800 0.218 0.000 1.092 221 F CA -1.292 56.791 58.000 0.140 0.000 1.279 221 F CB 0.296 39.358 39.000 0.103 0.000 1.044 221 F HN 0.163 nan 8.300 nan 0.000 0.564 222 W N 1.503 122.877 121.300 0.124 0.000 3.650 222 W HA 0.308 4.968 4.660 -0.000 0.000 0.589 222 W C 0.217 176.772 176.519 0.059 0.000 2.745 222 W CA -0.005 57.392 57.345 0.086 0.000 1.166 222 W CB -0.876 28.621 29.460 0.062 0.000 2.581 222 W HN -0.233 nan 8.180 nan 0.000 0.529 223 Q N 1.729 121.209 119.800 -0.533 0.000 2.288 223 Q HA 0.072 4.412 4.340 -0.000 0.000 0.258 223 Q C 1.109 176.945 176.000 -0.273 0.000 0.957 223 Q CA 0.410 55.820 55.803 -0.655 0.000 0.919 223 Q CB 1.599 29.608 28.738 -1.215 0.000 1.185 223 Q HN 0.311 nan 8.270 nan 0.000 0.408 224 E N 3.226 123.334 120.200 -0.153 0.000 2.082 224 E HA -0.295 4.055 4.350 -0.000 0.000 0.215 224 E C 0.847 177.392 176.600 -0.092 0.000 1.048 224 E CA 1.916 58.265 56.400 -0.085 0.000 0.869 224 E CB 0.107 29.771 29.700 -0.060 0.000 0.773 224 E HN 0.594 nan 8.360 nan 0.000 0.466 225 R N -0.256 120.185 120.500 -0.098 0.000 2.335 225 R HA 0.116 4.456 4.340 -0.000 0.000 0.223 225 R C 1.371 177.682 176.300 0.018 0.000 0.940 225 R CA 0.031 56.106 56.100 -0.042 0.000 1.086 225 R CB 0.032 30.324 30.300 -0.013 0.000 1.073 225 R HN 0.304 nan 8.270 nan 0.000 0.504 226 L N -1.446 119.741 121.223 -0.060 0.000 2.425 226 L HA 0.173 4.513 4.340 -0.000 0.000 0.215 226 L C 2.427 179.315 176.870 0.029 0.000 1.065 226 L CA 0.467 55.310 54.840 0.006 0.000 0.842 226 L CB -0.386 41.593 42.059 -0.135 0.000 1.033 226 L HN 0.072 nan 8.230 nan 0.000 0.474 227 A N 1.461 124.251 122.820 -0.050 0.000 1.915 227 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 227 A C -0.186 177.326 177.584 -0.119 0.000 1.198 227 A CA 2.256 54.244 52.037 -0.082 0.000 0.647 227 A CB -1.849 17.100 19.000 -0.085 0.000 0.825 227 A HN 0.263 nan 8.150 nan 0.000 0.456 228 P HA -0.068 nan 4.420 nan 0.000 0.220 228 P C 0.964 178.072 177.300 -0.320 0.000 1.152 228 P CA 0.887 63.813 63.100 -0.290 0.000 0.812 228 P CB -0.128 31.321 31.700 -0.420 0.000 0.792 229 W N 0.384 121.639 121.300 -0.075 0.000 2.378 229 W HA -0.079 4.581 4.660 -0.000 0.000 0.313 229 W C 2.657 179.147 176.519 -0.050 0.000 1.197 229 W CA 1.149 58.459 57.345 -0.057 0.000 1.304 229 W CB -1.205 28.226 29.460 -0.048 0.000 1.148 229 W HN -0.151 nan 8.180 nan 0.000 0.494 230 A N 0.617 123.542 122.820 0.174 0.000 1.908 230 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 230 A C 2.196 179.783 177.584 0.006 0.000 1.181 230 A CA 2.190 54.282 52.037 0.093 0.000 0.627 230 A CB -1.581 17.458 19.000 0.065 0.000 0.818 230 A HN 0.353 nan 8.150 nan 0.000 0.445 231 G N -0.661 108.096 108.800 -0.071 0.000 2.408 231 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.217 231 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.217 231 G C 1.565 176.400 174.900 -0.109 0.000 1.150 231 G CA 0.961 45.988 45.100 -0.122 0.000 0.776 231 G HN 0.416 nan 8.290 nan 0.000 0.542 232 L N -0.029 121.133 121.223 -0.102 0.000 2.005 232 L HA 0.041 4.381 4.340 -0.000 0.000 0.207 232 L C 2.865 179.696 176.870 -0.065 0.000 1.072 232 L CA 0.813 55.593 54.840 -0.100 0.000 0.744 232 L CB -0.282 41.702 42.059 -0.126 0.000 0.895 232 L HN 0.175 nan 8.230 nan 0.000 0.433 233 L N -1.061 120.166 121.223 0.006 0.000 2.141 233 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 233 L C 2.762 179.546 176.870 -0.143 0.000 1.094 233 L CA 0.933 55.769 54.840 -0.007 0.000 0.763 233 L CB -0.901 41.232 42.059 0.124 0.000 0.908 233 L HN 0.230 nan 8.230 nan 0.000 0.437 234 A N 0.498 123.266 122.820 -0.085 0.000 1.873 234 A HA -0.084 4.236 4.320 -0.000 0.000 0.215 234 A C 2.577 180.001 177.584 -0.266 0.000 1.186 234 A CA 1.579 53.539 52.037 -0.128 0.000 0.616 234 A CB -0.700 18.280 19.000 -0.033 0.000 0.823 234 A HN 0.355 nan 8.150 nan 0.000 0.442 235 A N -0.387 122.308 122.820 -0.207 0.000 1.972 235 A HA 0.188 4.508 4.320 -0.000 0.000 0.219 235 A C 2.388 179.808 177.584 -0.273 0.000 1.169 235 A CA 2.057 53.958 52.037 -0.227 0.000 0.635 235 A CB -0.730 18.167 19.000 -0.173 0.000 0.810 235 A HN 0.982 nan 8.150 nan 0.000 0.446 236 A N -0.822 121.839 122.820 -0.265 0.000 1.935 236 A HA 0.315 4.634 4.320 -0.000 0.000 0.214 236 A C 2.344 179.714 177.584 -0.357 0.000 1.178 236 A CA 1.410 53.305 52.037 -0.237 0.000 0.640 236 A CB -1.135 17.778 19.000 -0.144 0.000 0.825 236 A HN 0.629 nan 8.150 nan 0.000 0.447 237 G N 0.134 108.534 108.800 -0.666 0.000 2.418 237 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.217 237 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.217 237 G C 1.541 175.982 174.900 -0.765 0.000 1.158 237 G CA 1.061 45.420 45.100 -1.235 0.000 0.771 237 G HN 0.401 nan 8.290 nan 0.000 0.545 238 L N -0.209 120.663 121.223 -0.584 0.000 2.083 238 L HA -0.037 4.303 4.340 -0.000 0.000 0.209 238 L C 3.202 179.951 176.870 -0.201 0.000 1.083 238 L CA 0.949 55.621 54.840 -0.280 0.000 0.752 238 L CB -0.283 41.605 42.059 -0.285 0.000 0.899 238 L HN 0.159 nan 8.230 nan 0.000 0.433 239 R N -0.132 120.190 120.500 -0.296 0.000 2.073 239 R HA -0.115 4.225 4.340 -0.000 0.000 0.234 239 R C 2.415 178.724 176.300 0.015 0.000 1.134 239 R CA 1.368 57.300 56.100 -0.281 0.000 0.952 239 R CB -0.519 29.612 30.300 -0.282 0.000 0.850 239 R HN 0.335 nan 8.270 nan 0.000 0.433 240 A N 1.694 124.506 122.820 -0.013 0.000 1.929 240 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 240 A C 2.092 179.731 177.584 0.092 0.000 1.176 240 A CA 0.938 53.004 52.037 0.048 0.000 0.628 240 A CB -0.392 18.628 19.000 0.034 0.000 0.816 240 A HN 0.259 nan 8.150 nan 0.000 0.444 241 L N -0.247 121.044 121.223 0.113 0.000 2.093 241 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 241 L C 1.951 178.977 176.870 0.261 0.000 1.085 241 L CA 1.696 56.663 54.840 0.212 0.000 0.755 241 L CB -1.253 41.012 42.059 0.344 0.000 0.904 241 L HN 0.337 nan 8.230 nan 0.000 0.435 242 L N -1.225 120.167 121.223 0.281 0.000 2.217 242 L HA -0.090 4.250 4.340 -0.000 0.000 0.211 242 L C 2.458 179.601 176.870 0.455 0.000 1.107 242 L CA 0.491 55.563 54.840 0.385 0.000 0.783 242 L CB -0.391 41.909 42.059 0.400 0.000 0.919 242 L HN 0.118 nan 8.230 nan 0.000 0.442 243 V N -0.115 119.952 119.914 0.254 0.000 2.453 243 V HA -0.217 3.903 4.120 -0.000 0.000 0.247 243 V C 2.209 178.467 176.094 0.274 0.000 1.048 243 V CA 1.429 63.814 62.300 0.141 0.000 1.049 243 V CB -0.140 31.503 31.823 -0.299 0.000 0.672 243 V HN 0.331 nan 8.190 nan 0.000 0.457 244 L N -0.034 121.298 121.223 0.181 0.000 2.127 244 L HA 0.050 4.390 4.340 -0.000 0.000 0.203 244 L C 2.541 179.479 176.870 0.112 0.000 1.080 244 L CA 1.341 56.256 54.840 0.124 0.000 0.768 244 L CB -0.659 41.464 42.059 0.106 0.000 0.924 244 L HN 0.299 nan 8.230 nan 0.000 0.444 245 A N -0.019 122.895 122.820 0.156 0.000 2.167 245 A HA 0.074 4.394 4.320 -0.000 0.000 0.214 245 A C 2.105 179.750 177.584 0.102 0.000 1.151 245 A CA 1.073 53.181 52.037 0.118 0.000 0.735 245 A CB -0.663 18.415 19.000 0.129 0.000 0.802 245 A HN 0.407 nan 8.150 nan 0.000 0.467 246 G N -1.053 107.792 108.800 0.075 0.000 3.042 246 G HA2 0.149 4.108 3.960 -0.000 0.000 0.212 246 G HA3 0.149 4.108 3.960 -0.000 0.000 0.212 246 G C 0.630 175.007 174.900 -0.872 0.000 1.166 246 G CA -0.194 44.672 45.100 -0.391 0.000 0.767 246 G HN 0.573 nan 8.290 nan 0.000 0.546 247 Q N 0.194 119.733 119.800 -0.435 0.000 3.184 247 Q HA 0.277 4.617 4.340 -0.000 0.000 0.288 247 Q C -1.279 174.687 176.000 -0.057 0.000 1.412 247 Q CA -0.517 55.060 55.803 -0.376 0.000 0.991 247 Q CB 0.208 28.654 28.738 -0.488 0.000 1.688 247 Q HN 0.454 nan 8.270 nan 0.000 0.554 248 W N 0.827 121.926 121.300 -0.335 0.000 3.129 248 W HA 0.219 4.879 4.660 -0.000 0.000 0.333 248 W C -0.174 176.197 176.519 -0.247 0.000 1.141 248 W CA -0.437 56.750 57.345 -0.263 0.000 1.224 248 W CB 1.398 30.642 29.460 -0.360 0.000 1.393 248 W HN 0.158 nan 8.180 nan 0.000 0.499 249 Q N 3.581 123.000 119.800 -0.634 0.000 2.324 249 Q HA 0.181 4.521 4.340 -0.000 0.000 0.207 249 Q C 1.181 176.582 176.000 -0.999 0.000 0.928 249 Q CA 0.779 56.213 55.803 -0.615 0.000 0.890 249 Q CB -0.131 28.378 28.738 -0.381 0.000 1.001 249 Q HN 0.836 nan 8.270 nan 0.000 0.517 250 G N 2.820 110.734 108.800 -1.478 0.000 2.941 250 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.316 250 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.316 250 G C 0.027 174.446 174.900 -0.801 0.000 0.221 250 G CA 0.450 44.707 45.100 -1.405 0.000 1.224 250 G HN 0.118 nan 8.290 nan 0.000 0.282 251 L N 2.244 123.268 121.223 -0.331 0.000 2.805 251 L HA 0.978 5.318 4.340 -0.000 0.000 0.242 251 L C 1.152 178.014 176.870 -0.013 0.000 1.180 251 L CA -0.459 54.281 54.840 -0.166 0.000 1.001 251 L CB 1.066 43.059 42.059 -0.111 0.000 1.864 251 L HN 0.954 nan 8.230 nan 0.000 0.551 252 G N 0.000 108.804 108.800 0.007 0.000 5.446 252 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 252 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 252 G CA 0.000 nan 45.100 nan 0.000 0.502 252 G HN 0.000 nan 8.290 nan 0.000 0.925