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 2dys_1_C DATA FIRST_RESID 3 DATA SEQUENCE HQTHAYHMVN PSPWPLTGAL SALLMTSGLT MWFHFNSMTL LMIGLTTNML DATA SEQUENCE TMYQWWRDVI RESTFQGHHT PAVQKGLRYG MILFIISXVL FFTGFFWAFY DATA SEQUENCE HSSLAPTPEL GGCWPPTGIH PLNPLEVPLL NTSVLLASGV SITWAHHSLM DATA SEQUENCE EGDRKHMLQA LFITITLGVY FTLLQASEYY EAPFTISDGV YGSTFFVATG DATA SEQUENCE FHGLHVIIGS TFLIVCFFRQ LKFHFTSNHH FGFEAAAWYW HFVDVVWLFL DATA SEQUENCE YVSIYWWGS 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 H HA 0.000 nan 4.556 nan 0.000 0.296 3 H C 0.000 175.309 175.328 -0.032 0.000 0.993 3 H CA 0.000 56.040 56.048 -0.013 0.000 1.023 3 H CB 0.000 29.752 29.762 -0.017 0.000 1.292 4 Q N 1.364 120.895 119.800 -0.448 0.000 2.230 4 Q HA 0.365 4.705 4.340 -0.000 0.000 0.253 4 Q C -0.315 175.321 176.000 -0.607 0.000 0.919 4 Q CA -0.383 55.134 55.803 -0.476 0.000 0.908 4 Q CB 1.876 30.250 28.738 -0.608 0.000 1.245 4 Q HN 0.617 nan 8.270 nan 0.000 0.437 5 T N -1.252 113.083 114.554 -0.365 0.000 3.248 5 T HA 0.214 4.564 4.350 -0.000 0.000 0.271 5 T C -0.435 174.168 174.700 -0.163 0.000 1.005 5 T CA -0.255 61.700 62.100 -0.241 0.000 0.902 5 T CB -0.558 68.253 68.868 -0.095 0.000 1.102 5 T HN 0.814 nan 8.240 nan 0.000 0.548 6 H N -1.424 117.597 119.070 -0.082 0.000 2.737 6 H HA 0.831 5.387 4.556 -0.000 0.000 0.358 6 H C 0.750 175.986 175.328 -0.152 0.000 1.187 6 H CA -1.028 54.973 56.048 -0.079 0.000 1.221 6 H CB 1.227 31.013 29.762 0.040 0.000 1.799 6 H HN -0.022 nan 8.280 nan 0.000 0.568 7 A N 0.569 123.319 122.820 -0.115 0.000 2.307 7 A HA 0.166 4.486 4.320 -0.000 0.000 0.218 7 A C -0.572 176.931 177.584 -0.135 0.000 1.228 7 A CA -0.261 51.656 52.037 -0.199 0.000 0.857 7 A CB -0.943 17.877 19.000 -0.300 0.000 0.897 7 A HN 0.508 nan 8.150 nan 0.000 0.495 8 Y N -0.639 119.966 120.300 0.508 0.000 2.316 8 Y HA 0.312 4.862 4.550 -0.000 0.000 0.324 8 Y C 0.802 176.930 175.900 0.381 0.000 1.267 8 Y CA -0.796 57.484 58.100 0.301 0.000 1.311 8 Y CB 0.307 38.783 38.460 0.027 0.000 1.267 8 Y HN 0.335 nan 8.280 nan 0.000 0.516 9 H N 3.769 123.042 119.070 0.338 0.000 2.604 9 H HA 0.286 4.842 4.556 -0.000 0.000 0.306 9 H C -0.911 174.495 175.328 0.129 0.000 1.075 9 H CA -0.836 55.339 56.048 0.211 0.000 1.357 9 H CB 0.518 30.387 29.762 0.177 0.000 1.426 9 H HN 0.433 nan 8.280 nan 0.000 0.470 10 M N 6.691 126.433 119.600 0.236 0.000 2.080 10 M HA 0.136 4.616 4.480 -0.000 0.000 0.350 10 M C -0.541 175.667 176.300 -0.154 0.000 1.143 10 M CA -0.736 54.578 55.300 0.022 0.000 1.064 10 M CB 1.003 33.668 32.600 0.109 0.000 1.429 10 M HN 0.275 nan 8.290 nan 0.000 0.418 11 V N 4.255 123.943 119.914 -0.376 0.000 2.614 11 V HA 0.092 4.212 4.120 -0.000 0.000 0.291 11 V C 0.807 176.791 176.094 -0.183 0.000 1.049 11 V CA -0.579 61.490 62.300 -0.385 0.000 1.038 11 V CB 0.127 31.702 31.823 -0.414 0.000 0.980 11 V HN 0.766 nan 8.190 nan 0.000 0.481 12 N N 4.668 123.293 118.700 -0.126 0.000 2.454 12 N HA 0.176 4.916 4.740 -0.000 0.000 0.254 12 N C -2.509 172.908 175.510 -0.155 0.000 1.228 12 N CA -1.026 51.963 53.050 -0.101 0.000 0.900 12 N CB 0.166 38.613 38.487 -0.068 0.000 1.089 12 N HN 0.516 nan 8.380 nan 0.000 0.449 13 P HA -0.053 nan 4.420 nan 0.000 0.261 13 P C -0.874 176.262 177.300 -0.272 0.000 1.173 13 P CA 0.518 63.505 63.100 -0.189 0.000 0.760 13 P CB 0.613 32.222 31.700 -0.151 0.000 0.783 14 S N 3.147 118.634 115.700 -0.356 0.000 2.526 14 S HA 0.570 5.040 4.470 -0.000 0.000 0.293 14 S C -1.831 172.402 174.600 -0.612 0.000 1.092 14 S CA -1.529 56.335 58.200 -0.560 0.000 0.980 14 S CB 1.123 63.965 63.200 -0.596 0.000 1.048 14 S HN 0.292 nan 8.310 nan 0.000 0.483 15 P HA 0.163 nan 4.420 nan 0.000 0.245 15 P C 0.781 177.823 177.300 -0.429 0.000 1.203 15 P CA 0.108 62.815 63.100 -0.655 0.000 0.792 15 P CB 0.008 31.248 31.700 -0.766 0.000 0.997 16 W N 1.225 122.368 121.300 -0.262 0.000 2.338 16 W HA -0.076 4.584 4.660 -0.000 0.000 0.304 16 W C -0.601 175.798 176.519 -0.200 0.000 1.212 16 W CA 0.170 57.365 57.345 -0.250 0.000 1.264 16 W CB -2.242 26.969 29.460 -0.415 0.000 1.142 16 W HN 0.136 nan 8.180 nan 0.000 0.512 17 P HA -0.204 nan 4.420 nan 0.000 0.217 17 P C 1.751 179.089 177.300 0.063 0.000 1.150 17 P CA 1.326 64.408 63.100 -0.031 0.000 0.832 17 P CB -0.204 31.397 31.700 -0.165 0.000 0.787 18 L N -0.308 120.915 121.223 0.001 0.000 2.027 18 L HA -0.116 4.224 4.340 -0.000 0.000 0.206 18 L C 2.218 179.133 176.870 0.074 0.000 1.074 18 L CA 2.559 57.412 54.840 0.021 0.000 0.745 18 L CB -1.859 40.185 42.059 -0.026 0.000 0.898 18 L HN 0.049 nan 8.230 nan 0.000 0.433 19 T N -3.518 111.111 114.554 0.124 0.000 2.788 19 T HA -0.093 4.257 4.350 -0.000 0.000 0.268 19 T C 1.967 176.752 174.700 0.142 0.000 1.044 19 T CA 0.990 63.185 62.100 0.159 0.000 1.139 19 T CB -1.480 67.555 68.868 0.278 0.000 0.867 19 T HN 0.394 nan 8.240 nan 0.000 0.454 20 G N 1.280 110.191 108.800 0.186 0.000 2.418 20 G HA2 0.087 4.047 3.960 -0.000 0.000 0.217 20 G HA3 0.087 4.047 3.960 -0.000 0.000 0.217 20 G C 1.931 176.894 174.900 0.105 0.000 1.158 20 G CA 0.834 46.028 45.100 0.156 0.000 0.771 20 G HN 0.744 nan 8.290 nan 0.000 0.545 21 A N 0.679 123.564 122.820 0.107 0.000 1.877 21 A HA 0.084 4.404 4.320 -0.000 0.000 0.216 21 A C 2.437 180.056 177.584 0.058 0.000 1.186 21 A CA 1.306 53.388 52.037 0.076 0.000 0.620 21 A CB -0.449 18.590 19.000 0.065 0.000 0.822 21 A HN 0.345 nan 8.150 nan 0.000 0.443 22 L N 0.502 121.760 121.223 0.057 0.000 2.093 22 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 22 L C 3.008 179.903 176.870 0.042 0.000 1.085 22 L CA 1.543 56.410 54.840 0.046 0.000 0.755 22 L CB -0.581 41.504 42.059 0.044 0.000 0.904 22 L HN 0.635 nan 8.230 nan 0.000 0.435 23 S N 0.227 115.955 115.700 0.047 0.000 2.399 23 S HA -0.157 4.313 4.470 -0.000 0.000 0.231 23 S C 2.165 176.782 174.600 0.029 0.000 1.022 23 S CA 0.836 59.056 58.200 0.033 0.000 0.983 23 S CB -0.354 62.863 63.200 0.029 0.000 0.803 23 S HN 0.348 nan 8.310 nan 0.000 0.480 24 A N 1.831 124.674 122.820 0.037 0.000 1.902 24 A HA 0.106 4.426 4.320 -0.000 0.000 0.217 24 A C 2.237 179.846 177.584 0.043 0.000 1.181 24 A CA 1.529 53.589 52.037 0.040 0.000 0.623 24 A CB -0.857 18.170 19.000 0.045 0.000 0.818 24 A HN 0.574 nan 8.150 nan 0.000 0.443 25 L N -0.214 121.034 121.223 0.042 0.000 2.056 25 L HA -0.057 4.283 4.340 -0.000 0.000 0.207 25 L C 2.181 179.074 176.870 0.038 0.000 1.078 25 L CA 1.584 56.449 54.840 0.042 0.000 0.749 25 L CB -0.438 41.643 42.059 0.037 0.000 0.901 25 L HN 0.386 nan 8.230 nan 0.000 0.433 26 L N -1.382 119.859 121.223 0.030 0.000 2.093 26 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 26 L C 2.558 179.440 176.870 0.020 0.000 1.085 26 L CA 1.547 56.401 54.840 0.023 0.000 0.755 26 L CB -0.506 41.562 42.059 0.016 0.000 0.904 26 L HN 0.339 nan 8.230 nan 0.000 0.435 27 M N -0.546 119.065 119.600 0.019 0.000 2.132 27 M HA -0.138 4.342 4.480 -0.000 0.000 0.263 27 M C 2.465 178.781 176.300 0.027 0.000 1.065 27 M CA 2.211 57.517 55.300 0.011 0.000 1.122 27 M CB -0.604 32.004 32.600 0.014 0.000 1.365 27 M HN 0.415 nan 8.290 nan 0.000 0.411 28 T N -2.104 112.480 114.554 0.049 0.000 2.777 28 T HA -0.035 4.315 4.350 -0.000 0.000 0.266 28 T C 1.892 176.642 174.700 0.084 0.000 1.040 28 T CA 1.607 63.751 62.100 0.073 0.000 1.141 28 T CB -0.553 68.366 68.868 0.085 0.000 0.868 28 T HN 0.222 nan 8.240 nan 0.000 0.444 29 S N 1.629 117.374 115.700 0.075 0.000 2.368 29 S HA 0.057 4.527 4.470 -0.000 0.000 0.225 29 S C 2.465 177.122 174.600 0.095 0.000 1.030 29 S CA 1.045 59.298 58.200 0.087 0.000 0.999 29 S CB -1.146 62.089 63.200 0.058 0.000 0.844 29 S HN 0.758 nan 8.310 nan 0.000 0.459 30 G N 1.733 110.568 108.800 0.059 0.000 2.446 30 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.217 30 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.217 30 G C 1.346 176.284 174.900 0.062 0.000 1.168 30 G CA 0.622 45.750 45.100 0.046 0.000 0.771 30 G HN 0.422 nan 8.290 nan 0.000 0.551 31 L N 0.374 121.601 121.223 0.007 0.000 2.083 31 L HA -0.091 4.249 4.340 -0.000 0.000 0.209 31 L C 3.225 180.025 176.870 -0.116 0.000 1.083 31 L CA 1.559 56.319 54.840 -0.134 0.000 0.752 31 L CB -0.598 41.347 42.059 -0.189 0.000 0.899 31 L HN 0.217 nan 8.230 nan 0.000 0.433 32 T N -0.722 113.908 114.554 0.126 0.000 2.708 32 T HA -0.242 4.108 4.350 -0.000 0.000 0.266 32 T C 1.823 176.787 174.700 0.440 0.000 1.037 32 T CA 1.369 63.673 62.100 0.342 0.000 1.146 32 T CB -0.170 68.908 68.868 0.350 0.000 0.865 32 T HN 0.090 nan 8.240 nan 0.000 0.435 33 M N -0.108 119.723 119.600 0.385 0.000 2.159 33 M HA 0.016 4.496 4.480 -0.000 0.000 0.263 33 M C 1.755 178.310 176.300 0.424 0.000 1.063 33 M CA 1.131 56.714 55.300 0.472 0.000 1.110 33 M CB -0.622 32.136 32.600 0.263 0.000 1.374 33 M HN 0.452 nan 8.290 nan 0.000 0.411 34 W N -0.181 121.161 121.300 0.069 0.000 2.380 34 W HA -0.195 4.465 4.660 -0.000 0.000 0.317 34 W C 1.780 178.351 176.519 0.086 0.000 1.196 34 W CA 1.454 58.804 57.345 0.009 0.000 1.307 34 W CB -0.937 28.428 29.460 -0.159 0.000 1.157 34 W HN 0.187 nan 8.180 nan 0.000 0.483 35 F N -0.633 119.201 119.950 -0.193 0.000 2.269 35 F HA -0.173 4.354 4.527 -0.000 0.000 0.301 35 F C 2.442 177.826 175.800 -0.692 0.000 1.082 35 F CA 1.805 59.469 58.000 -0.560 0.000 1.360 35 F CB -1.177 37.517 39.000 -0.510 0.000 1.041 35 F HN 0.111 nan 8.300 nan 0.000 0.512 36 H N -4.002 115.050 119.070 -0.030 0.000 3.091 36 H HA 0.198 4.754 4.556 -0.000 0.000 0.249 36 H C 0.690 175.644 175.328 -0.623 0.000 0.985 36 H CA 0.357 56.149 56.048 -0.427 0.000 1.177 36 H CB 0.149 29.429 29.762 -0.802 0.000 1.456 36 H HN 0.159 nan 8.280 nan 0.000 0.467 37 F N 0.664 120.724 119.950 0.184 0.000 2.764 37 F HA 0.206 4.733 4.527 -0.000 0.000 0.310 37 F C 0.577 176.446 175.800 0.115 0.000 1.124 37 F CA -0.731 57.349 58.000 0.134 0.000 1.252 37 F CB -0.011 39.066 39.000 0.128 0.000 1.010 37 F HN -0.148 nan 8.300 nan 0.000 0.518 38 N N 1.928 120.742 118.700 0.190 0.000 2.696 38 N HA -0.265 4.475 4.740 -0.000 0.000 0.271 38 N C -0.575 175.081 175.510 0.244 0.000 0.997 38 N CA 0.820 53.978 53.050 0.180 0.000 0.801 38 N CB -0.594 37.959 38.487 0.109 0.000 0.913 38 N HN 0.296 nan 8.380 nan 0.000 0.557 39 S N 0.958 116.846 115.700 0.312 0.000 2.566 39 S HA 0.531 5.001 4.470 -0.000 0.000 0.273 39 S C 0.476 175.211 174.600 0.225 0.000 1.157 39 S CA -0.760 57.582 58.200 0.236 0.000 0.938 39 S CB 0.949 64.257 63.200 0.179 0.000 1.087 39 S HN 0.282 nan 8.310 nan 0.000 0.474 40 M N 2.812 122.473 119.600 0.103 0.000 2.333 40 M HA 0.091 4.571 4.480 -0.000 0.000 0.257 40 M C 1.526 177.798 176.300 -0.047 0.000 1.078 40 M CA 0.039 55.311 55.300 -0.047 0.000 1.005 40 M CB -0.192 32.294 32.600 -0.190 0.000 1.444 40 M HN 0.698 nan 8.290 nan 0.000 0.496 41 T N 1.903 116.459 114.554 0.004 0.000 2.570 41 T HA -0.206 4.144 4.350 -0.000 0.000 0.266 41 T C 1.791 176.484 174.700 -0.011 0.000 1.071 41 T CA 1.447 63.545 62.100 -0.003 0.000 1.172 41 T CB -0.308 68.569 68.868 0.015 0.000 0.864 41 T HN 0.353 nan 8.240 nan 0.000 0.421 42 L N 0.217 121.444 121.223 0.006 0.000 2.013 42 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 42 L C 2.536 179.396 176.870 -0.017 0.000 1.073 42 L CA 1.206 56.049 54.840 0.004 0.000 0.753 42 L CB -0.496 41.579 42.059 0.026 0.000 0.890 42 L HN 0.251 nan 8.230 nan 0.000 0.432 43 L N -0.711 120.489 121.223 -0.039 0.000 2.079 43 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 43 L C 2.480 179.294 176.870 -0.095 0.000 1.081 43 L CA 1.807 56.596 54.840 -0.085 0.000 0.752 43 L CB -0.452 41.503 42.059 -0.173 0.000 0.896 43 L HN 0.199 nan 8.230 nan 0.000 0.433 44 M N -0.888 118.657 119.600 -0.092 0.000 2.067 44 M HA -0.192 4.288 4.480 -0.000 0.000 0.260 44 M C 2.419 178.688 176.300 -0.051 0.000 1.069 44 M CA 1.858 57.110 55.300 -0.080 0.000 1.117 44 M CB -1.033 31.527 32.600 -0.067 0.000 1.334 44 M HN 0.277 nan 8.290 nan 0.000 0.407 45 I N -0.271 120.279 120.570 -0.035 0.000 2.226 45 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 45 I C 2.621 178.728 176.117 -0.016 0.000 1.100 45 I CA 1.345 62.633 61.300 -0.020 0.000 1.374 45 I CB -1.042 36.952 38.000 -0.009 0.000 1.057 45 I HN 0.335 nan 8.210 nan 0.000 0.413 46 G N 1.256 110.045 108.800 -0.017 0.000 2.459 46 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 46 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 46 G C 1.713 176.603 174.900 -0.017 0.000 1.183 46 G CA 0.656 45.749 45.100 -0.010 0.000 0.776 46 G HN 0.266 nan 8.290 nan 0.000 0.552 47 L N 0.439 121.642 121.223 -0.033 0.000 2.042 47 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 47 L C 3.235 180.087 176.870 -0.031 0.000 1.076 47 L CA 1.646 56.465 54.840 -0.035 0.000 0.749 47 L CB -0.817 41.210 42.059 -0.053 0.000 0.893 47 L HN 0.205 nan 8.230 nan 0.000 0.432 48 T N -1.175 113.360 114.554 -0.031 0.000 2.674 48 T HA -0.197 4.153 4.350 -0.000 0.000 0.265 48 T C 1.930 176.617 174.700 -0.023 0.000 1.039 48 T CA 2.064 64.146 62.100 -0.030 0.000 1.150 48 T CB -0.534 68.317 68.868 -0.027 0.000 0.864 48 T HN 0.568 nan 8.240 nan 0.000 0.427 49 T N 0.667 115.215 114.554 -0.011 0.000 2.833 49 T HA -0.123 4.227 4.350 -0.000 0.000 0.269 49 T C 1.854 176.548 174.700 -0.009 0.000 1.054 49 T CA 1.549 63.650 62.100 0.001 0.000 1.135 49 T CB -0.562 68.319 68.868 0.021 0.000 0.869 49 T HN 0.345 nan 8.240 nan 0.000 0.466 50 N N 0.753 119.444 118.700 -0.016 0.000 2.142 50 N HA -0.037 4.703 4.740 -0.000 0.000 0.186 50 N C 2.036 177.512 175.510 -0.057 0.000 1.023 50 N CA 1.325 54.356 53.050 -0.031 0.000 0.852 50 N CB -0.314 38.158 38.487 -0.026 0.000 0.998 50 N HN 0.235 nan 8.380 nan 0.000 0.424 51 M N 0.140 119.716 119.600 -0.040 0.000 2.117 51 M HA -0.108 4.372 4.480 -0.000 0.000 0.262 51 M C 2.081 178.362 176.300 -0.032 0.000 1.065 51 M CA 1.094 56.376 55.300 -0.031 0.000 1.114 51 M CB -1.138 31.446 32.600 -0.027 0.000 1.361 51 M HN 0.260 nan 8.290 nan 0.000 0.408 52 L N -0.452 120.744 121.223 -0.046 0.000 2.012 52 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 52 L C 2.563 179.335 176.870 -0.162 0.000 1.073 52 L CA 1.441 56.245 54.840 -0.061 0.000 0.748 52 L CB -1.050 40.978 42.059 -0.051 0.000 0.891 52 L HN 0.330 nan 8.230 nan 0.000 0.431 53 T N -0.353 114.107 114.554 -0.157 0.000 2.674 53 T HA -0.225 4.125 4.350 -0.000 0.000 0.265 53 T C 1.949 176.469 174.700 -0.300 0.000 1.039 53 T CA 1.515 63.489 62.100 -0.210 0.000 1.150 53 T CB -0.191 68.670 68.868 -0.011 0.000 0.864 53 T HN 0.211 nan 8.240 nan 0.000 0.427 54 M N -0.188 119.227 119.600 -0.307 0.000 2.080 54 M HA -0.131 4.349 4.480 -0.000 0.000 0.260 54 M C 2.257 178.355 176.300 -0.337 0.000 1.068 54 M CA 1.867 56.824 55.300 -0.571 0.000 1.109 54 M CB -0.581 31.752 32.600 -0.444 0.000 1.342 54 M HN 0.303 nan 8.290 nan 0.000 0.405 55 Y N 1.419 121.595 120.300 -0.206 0.000 2.097 55 Y HA -0.303 4.247 4.550 -0.000 0.000 0.282 55 Y C 2.325 178.135 175.900 -0.150 0.000 1.152 55 Y CA 2.050 60.095 58.100 -0.093 0.000 1.136 55 Y CB -0.561 37.842 38.460 -0.096 0.000 0.975 55 Y HN 0.264 nan 8.280 nan 0.000 0.498 56 Q N -1.222 118.251 119.800 -0.544 0.000 2.119 56 Q HA -0.220 4.120 4.340 -0.000 0.000 0.201 56 Q C 2.101 177.729 176.000 -0.619 0.000 0.972 56 Q CA 1.403 56.743 55.803 -0.771 0.000 0.847 56 Q CB -0.626 27.387 28.738 -1.208 0.000 0.903 56 Q HN 0.668 nan 8.270 nan 0.000 0.433 57 W N 0.435 121.226 121.300 -0.848 0.000 2.354 57 W HA -0.197 4.463 4.660 -0.000 0.000 0.315 57 W C 1.278 177.680 176.519 -0.194 0.000 1.206 57 W CA 1.057 58.140 57.345 -0.438 0.000 1.290 57 W CB -0.570 28.592 29.460 -0.498 0.000 1.152 57 W HN 0.286 nan 8.180 nan 0.000 0.489 58 W N 0.920 122.265 121.300 0.074 0.000 2.425 58 W HA -0.066 4.594 4.660 -0.000 0.000 0.277 58 W C 2.514 178.999 176.519 -0.058 0.000 1.231 58 W CA 1.253 58.594 57.345 -0.007 0.000 1.248 58 W CB -1.287 28.093 29.460 -0.134 0.000 1.117 58 W HN 0.039 nan 8.180 nan 0.000 0.568 59 R N 0.982 121.468 120.500 -0.024 0.000 2.070 59 R HA -0.170 4.170 4.340 -0.000 0.000 0.233 59 R C 1.552 177.861 176.300 0.016 0.000 1.137 59 R CA 2.226 58.247 56.100 -0.132 0.000 0.945 59 R CB -0.507 29.540 30.300 -0.423 0.000 0.845 59 R HN -0.067 nan 8.270 nan 0.000 0.430 60 D N 0.068 120.519 120.400 0.085 0.000 2.149 60 D HA -0.122 4.518 4.640 -0.000 0.000 0.198 60 D C 1.934 178.335 176.300 0.167 0.000 0.990 60 D CA 1.032 55.125 54.000 0.155 0.000 0.839 60 D CB -0.122 40.813 40.800 0.226 0.000 0.948 60 D HN 0.112 nan 8.370 nan 0.000 0.460 61 V N 0.836 120.895 119.914 0.243 0.000 2.515 61 V HA -0.181 3.939 4.120 -0.000 0.000 0.250 61 V C 2.389 178.529 176.094 0.076 0.000 1.058 61 V CA 0.971 63.434 62.300 0.270 0.000 1.064 61 V CB -0.249 31.833 31.823 0.432 0.000 0.675 61 V HN 0.202 nan 8.190 nan 0.000 0.461 62 I N -0.659 119.911 120.570 0.001 0.000 2.353 62 I HA -0.177 3.993 4.170 -0.000 0.000 0.248 62 I C 2.714 178.557 176.117 -0.457 0.000 1.119 62 I CA 1.264 62.435 61.300 -0.216 0.000 1.417 62 I CB -0.297 37.602 38.000 -0.169 0.000 1.078 62 I HN 0.194 nan 8.210 nan 0.000 0.421 63 R N 0.691 121.056 120.500 -0.225 0.000 2.081 63 R HA -0.177 4.163 4.340 -0.000 0.000 0.235 63 R C 2.072 178.357 176.300 -0.024 0.000 1.131 63 R CA 1.502 57.557 56.100 -0.074 0.000 0.960 63 R CB -0.268 30.122 30.300 0.150 0.000 0.856 63 R HN 0.410 nan 8.270 nan 0.000 0.436 64 E N -0.094 120.118 120.200 0.019 0.000 2.268 64 E HA -0.124 4.226 4.350 -0.000 0.000 0.195 64 E C 1.890 178.438 176.600 -0.086 0.000 0.995 64 E CA 1.441 57.902 56.400 0.102 0.000 0.836 64 E CB 0.198 30.026 29.700 0.213 0.000 0.763 64 E HN 0.368 nan 8.360 nan 0.000 0.491 65 S N -0.463 115.028 115.700 -0.349 0.000 2.559 65 S HA -0.004 4.466 4.470 -0.000 0.000 0.212 65 S C 2.160 176.522 174.600 -0.397 0.000 0.994 65 S CA 0.597 58.453 58.200 -0.572 0.000 0.903 65 S CB -0.427 62.221 63.200 -0.921 0.000 0.861 65 S HN 0.001 nan 8.310 nan 0.000 0.601 66 T N 1.795 116.051 114.554 -0.497 0.000 2.788 66 T HA 0.141 4.491 4.350 -0.000 0.000 0.268 66 T C 1.312 175.888 174.700 -0.207 0.000 1.044 66 T CA 1.405 63.212 62.100 -0.487 0.000 1.139 66 T CB -0.511 67.841 68.868 -0.860 0.000 0.867 66 T HN 0.463 nan 8.240 nan 0.000 0.454 67 F N 0.678 120.521 119.950 -0.177 0.000 2.374 67 F HA 0.163 4.690 4.527 -0.000 0.000 0.291 67 F C 2.630 178.370 175.800 -0.100 0.000 1.084 67 F CA -0.013 57.912 58.000 -0.125 0.000 1.413 67 F CB 0.045 38.987 39.000 -0.096 0.000 1.099 67 F HN 0.050 nan 8.300 nan 0.000 0.534 68 Q N 0.070 119.909 119.800 0.066 0.000 2.352 68 Q HA 0.198 4.538 4.340 -0.000 0.000 0.212 68 Q C 1.410 177.258 176.000 -0.253 0.000 0.888 68 Q CA 0.496 56.272 55.803 -0.046 0.000 0.934 68 Q CB 0.975 29.764 28.738 0.085 0.000 1.093 68 Q HN 0.476 nan 8.270 nan 0.000 0.523 69 G N 1.260 109.949 108.800 -0.185 0.000 2.179 69 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.257 69 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.257 69 G C 0.426 175.205 174.900 -0.201 0.000 1.010 69 G CA 0.510 45.505 45.100 -0.176 0.000 0.736 69 G HN 0.457 nan 8.290 nan 0.000 0.513 70 H N -0.298 118.713 119.070 -0.098 0.000 2.546 70 H HA 0.009 4.565 4.556 -0.000 0.000 0.277 70 H C 0.906 176.288 175.328 0.090 0.000 1.004 70 H CA 0.920 56.889 56.048 -0.132 0.000 1.231 70 H CB 0.192 29.620 29.762 -0.556 0.000 1.382 70 H HN 0.711 nan 8.280 nan 0.000 0.580 71 H N 2.097 121.214 119.070 0.077 0.000 2.982 71 H HA 0.072 4.628 4.556 -0.000 0.000 0.261 71 H C 0.595 176.024 175.328 0.168 0.000 1.603 71 H CA -0.483 55.660 56.048 0.159 0.000 1.398 71 H CB 0.201 30.109 29.762 0.244 0.000 1.693 71 H HN 0.227 nan 8.280 nan 0.000 0.535 72 T N -0.261 114.404 114.554 0.184 0.000 2.766 72 T HA 0.028 4.378 4.350 -0.000 0.000 0.295 72 T C -1.496 173.224 174.700 0.033 0.000 1.024 72 T CA -1.794 60.355 62.100 0.083 0.000 1.018 72 T CB 1.126 70.005 68.868 0.017 0.000 1.002 72 T HN 0.158 nan 8.240 nan 0.000 0.532 73 P HA -0.034 nan 4.420 nan 0.000 0.218 73 P C 1.528 178.808 177.300 -0.034 0.000 1.148 73 P CA 1.344 64.411 63.100 -0.054 0.000 0.822 73 P CB -0.279 31.392 31.700 -0.048 0.000 0.784 74 A N -0.797 122.011 122.820 -0.020 0.000 1.897 74 A HA -0.117 4.203 4.320 -0.000 0.000 0.215 74 A C 2.304 179.966 177.584 0.130 0.000 1.181 74 A CA 1.476 53.541 52.037 0.047 0.000 0.620 74 A CB -1.557 17.386 19.000 -0.095 0.000 0.821 74 A HN 0.017 nan 8.150 nan 0.000 0.443 75 V N 0.066 120.037 119.914 0.095 0.000 2.407 75 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 75 V C 2.701 178.740 176.094 -0.091 0.000 1.055 75 V CA 2.308 64.654 62.300 0.078 0.000 1.049 75 V CB -0.716 31.149 31.823 0.069 0.000 0.662 75 V HN 0.769 nan 8.190 nan 0.000 0.455 76 Q N -0.389 119.340 119.800 -0.118 0.000 2.119 76 Q HA -0.204 4.136 4.340 -0.000 0.000 0.201 76 Q C 2.426 178.244 176.000 -0.303 0.000 0.972 76 Q CA 1.286 56.943 55.803 -0.243 0.000 0.847 76 Q CB -0.051 28.569 28.738 -0.197 0.000 0.903 76 Q HN 0.409 nan 8.270 nan 0.000 0.433 77 K N -0.279 120.030 120.400 -0.151 0.000 2.057 77 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 77 K C 1.912 178.449 176.600 -0.105 0.000 1.049 77 K CA 1.362 57.566 56.287 -0.137 0.000 0.931 77 K CB -0.447 32.050 32.500 -0.006 0.000 0.714 77 K HN 0.388 nan 8.250 nan 0.000 0.440 78 G N 1.075 109.895 108.800 0.034 0.000 2.402 78 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.216 78 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.216 78 G C 1.660 176.585 174.900 0.042 0.000 1.162 78 G CA 0.374 45.561 45.100 0.146 0.000 0.777 78 G HN 0.207 nan 8.290 nan 0.000 0.539 79 L N -0.189 120.938 121.223 -0.161 0.000 2.131 79 L HA -0.038 4.302 4.340 -0.000 0.000 0.210 79 L C 3.155 179.867 176.870 -0.263 0.000 1.092 79 L CA 0.850 55.541 54.840 -0.249 0.000 0.759 79 L CB -0.243 41.521 42.059 -0.491 0.000 0.903 79 L HN 0.153 nan 8.230 nan 0.000 0.435 80 R N -1.219 119.046 120.500 -0.391 0.000 2.073 80 R HA -0.183 4.157 4.340 -0.000 0.000 0.234 80 R C 2.323 178.741 176.300 0.197 0.000 1.134 80 R CA 1.630 57.744 56.100 0.023 0.000 0.952 80 R CB -0.564 29.707 30.300 -0.049 0.000 0.850 80 R HN 0.217 nan 8.270 nan 0.000 0.433 81 Y N 0.369 120.751 120.300 0.136 0.000 2.128 81 Y HA -0.138 4.412 4.550 -0.000 0.000 0.284 81 Y C 2.661 178.655 175.900 0.157 0.000 1.154 81 Y CA 1.466 59.638 58.100 0.119 0.000 1.149 81 Y CB -1.108 37.389 38.460 0.062 0.000 0.976 81 Y HN 0.188 nan 8.280 nan 0.000 0.505 82 G N -0.664 108.321 108.800 0.309 0.000 2.440 82 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.218 82 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.218 82 G C 1.705 176.804 174.900 0.333 0.000 1.154 82 G CA 1.350 46.608 45.100 0.264 0.000 0.767 82 G HN 0.317 nan 8.290 nan 0.000 0.552 83 M N 0.360 120.215 119.600 0.425 0.000 2.132 83 M HA 0.205 4.684 4.480 -0.000 0.000 0.263 83 M C 2.351 178.955 176.300 0.506 0.000 1.065 83 M CA 1.040 56.665 55.300 0.542 0.000 1.122 83 M CB -0.360 32.687 32.600 0.745 0.000 1.365 83 M HN 0.238 nan 8.290 nan 0.000 0.411 84 I N -0.540 120.273 120.570 0.405 0.000 2.179 84 I HA -0.343 3.827 4.170 -0.000 0.000 0.242 84 I C 2.081 178.300 176.117 0.170 0.000 1.088 84 I CA 1.284 62.703 61.300 0.198 0.000 1.357 84 I CB -0.514 37.541 38.000 0.091 0.000 1.051 84 I HN 0.293 nan 8.210 nan 0.000 0.409 85 L N -0.484 120.867 121.223 0.214 0.000 2.083 85 L HA -0.242 4.098 4.340 -0.000 0.000 0.209 85 L C 2.577 179.556 176.870 0.183 0.000 1.083 85 L CA 1.293 56.234 54.840 0.168 0.000 0.752 85 L CB -0.693 41.470 42.059 0.173 0.000 0.899 85 L HN 0.214 nan 8.230 nan 0.000 0.433 86 F N 1.009 121.025 119.950 0.110 0.000 2.075 86 F HA -0.218 4.309 4.527 -0.000 0.000 0.297 86 F C 2.317 178.150 175.800 0.054 0.000 1.113 86 F CA 1.446 59.507 58.000 0.101 0.000 1.218 86 F CB -0.260 38.829 39.000 0.147 0.000 0.984 86 F HN -0.130 nan 8.300 nan 0.000 0.472 87 I N 0.102 120.652 120.570 -0.034 0.000 2.264 87 I HA -0.341 3.829 4.170 -0.000 0.000 0.248 87 I C 2.424 178.295 176.117 -0.410 0.000 1.111 87 I CA 1.488 62.566 61.300 -0.371 0.000 1.382 87 I CB -0.494 37.391 38.000 -0.192 0.000 1.060 87 I HN 0.194 nan 8.210 nan 0.000 0.418 88 I N 0.314 120.779 120.570 -0.176 0.000 2.208 88 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 88 I C 1.930 177.993 176.117 -0.091 0.000 1.097 88 I CA 0.807 62.041 61.300 -0.111 0.000 1.363 88 I CB -0.396 37.583 38.000 -0.035 0.000 1.051 88 I HN 0.330 nan 8.210 nan 0.000 0.413 92 L N 0.052 121.376 121.223 0.169 0.000 2.131 92 L HA -0.089 4.251 4.340 -0.000 0.000 0.210 92 L C 2.230 179.229 176.870 0.214 0.000 1.092 92 L CA 2.493 57.425 54.840 0.153 0.000 0.759 92 L CB -0.970 41.148 42.059 0.099 0.000 0.903 92 L HN 0.546 nan 8.230 nan 0.000 0.435 93 F N 0.191 120.179 119.950 0.063 0.000 2.134 93 F HA -0.221 4.306 4.527 -0.000 0.000 0.299 93 F C 2.344 178.177 175.800 0.055 0.000 1.097 93 F CA 1.320 59.311 58.000 -0.016 0.000 1.264 93 F CB -0.530 38.415 39.000 -0.091 0.000 1.001 93 F HN -0.075 nan 8.300 nan 0.000 0.479 94 F N 0.162 120.290 119.950 0.295 0.000 2.234 94 F HA -0.191 4.336 4.527 -0.000 0.000 0.299 94 F C 2.473 178.511 175.800 0.397 0.000 1.087 94 F CA 1.739 59.949 58.000 0.350 0.000 1.340 94 F CB -0.994 38.235 39.000 0.382 0.000 1.031 94 F HN -0.148 nan 8.300 nan 0.000 0.500 95 T N -0.556 114.239 114.554 0.402 0.000 2.699 95 T HA -0.223 4.127 4.350 -0.000 0.000 0.268 95 T C 2.302 177.181 174.700 0.299 0.000 1.036 95 T CA 1.498 63.780 62.100 0.303 0.000 1.147 95 T CB -1.028 67.943 68.868 0.171 0.000 0.862 95 T HN 0.480 nan 8.240 nan 0.000 0.446 96 G N 0.313 109.149 108.800 0.060 0.000 2.440 96 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.218 96 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.218 96 G C 1.229 175.987 174.900 -0.238 0.000 1.154 96 G CA 0.464 45.465 45.100 -0.166 0.000 0.767 96 G HN 0.463 nan 8.290 nan 0.000 0.552 97 F N -0.090 119.852 119.950 -0.013 0.000 2.186 97 F HA 0.191 4.718 4.527 -0.000 0.000 0.299 97 F C 2.303 178.118 175.800 0.024 0.000 1.090 97 F CA 0.475 58.443 58.000 -0.053 0.000 1.307 97 F CB -0.540 38.359 39.000 -0.168 0.000 1.019 97 F HN 0.063 nan 8.300 nan 0.000 0.489 98 F N -1.577 118.553 119.950 0.299 0.000 2.234 98 F HA -0.218 4.309 4.527 -0.000 0.000 0.299 98 F C 2.263 178.299 175.800 0.394 0.000 1.087 98 F CA 0.962 59.131 58.000 0.281 0.000 1.340 98 F CB -0.677 38.472 39.000 0.248 0.000 1.031 98 F HN 0.064 nan 8.300 nan 0.000 0.500 99 W N 1.289 122.765 121.300 0.294 0.000 2.355 99 W HA -0.158 4.502 4.660 -0.000 0.000 0.309 99 W C 2.368 178.972 176.519 0.143 0.000 1.206 99 W CA 1.843 59.304 57.345 0.194 0.000 1.284 99 W CB -1.024 28.475 29.460 0.064 0.000 1.145 99 W HN -0.007 nan 8.180 nan 0.000 0.502 100 A N 0.044 123.043 122.820 0.298 0.000 1.908 100 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 100 A C 2.043 179.726 177.584 0.164 0.000 1.181 100 A CA 1.751 53.868 52.037 0.134 0.000 0.627 100 A CB -1.605 17.413 19.000 0.032 0.000 0.818 100 A HN 0.341 nan 8.150 nan 0.000 0.445 101 F N -0.675 119.278 119.950 0.004 0.000 2.102 101 F HA -0.207 4.320 4.527 -0.000 0.000 0.298 101 F C 2.128 177.786 175.800 -0.236 0.000 1.105 101 F CA 1.811 59.701 58.000 -0.183 0.000 1.239 101 F CB -0.539 38.235 39.000 -0.377 0.000 0.991 101 F HN 0.326 nan 8.300 nan 0.000 0.474 102 Y N -1.174 119.082 120.300 -0.073 0.000 2.293 102 Y HA -0.237 4.313 4.550 -0.000 0.000 0.291 102 Y C 2.643 178.430 175.900 -0.189 0.000 1.137 102 Y CA 1.479 59.446 58.100 -0.222 0.000 1.202 102 Y CB -0.608 37.826 38.460 -0.043 0.000 0.990 102 Y HN 0.258 nan 8.280 nan 0.000 0.537 103 H N -0.696 118.415 119.070 0.069 0.000 2.321 103 H HA -0.139 4.417 4.556 -0.000 0.000 0.300 103 H C 2.252 177.530 175.328 -0.083 0.000 1.087 103 H CA 2.095 58.180 56.048 0.061 0.000 1.319 103 H CB -0.058 29.790 29.762 0.143 0.000 1.379 103 H HN 0.065 nan 8.280 nan 0.000 0.501 104 S N -0.655 114.991 115.700 -0.091 0.000 2.371 104 S HA -0.153 4.317 4.470 -0.000 0.000 0.224 104 S C 2.333 176.640 174.600 -0.489 0.000 1.029 104 S CA 1.045 59.133 58.200 -0.185 0.000 0.978 104 S CB -0.289 62.856 63.200 -0.092 0.000 0.833 104 S HN 0.704 nan 8.310 nan 0.000 0.466 105 S N 1.681 116.769 115.700 -1.020 0.000 2.428 105 S HA 0.144 4.614 4.470 -0.000 0.000 0.230 105 S C 1.669 175.964 174.600 -0.508 0.000 1.014 105 S CA 0.508 57.851 58.200 -1.429 0.000 0.957 105 S CB -0.512 61.381 63.200 -2.179 0.000 0.784 105 S HN 0.403 nan 8.310 nan 0.000 0.499 106 L N 0.591 121.660 121.223 -0.258 0.000 2.418 106 L HA 0.344 4.684 4.340 -0.000 0.000 0.218 106 L C 1.231 178.050 176.870 -0.084 0.000 1.125 106 L CA 0.612 55.414 54.840 -0.063 0.000 0.835 106 L CB -0.182 41.856 42.059 -0.035 0.000 0.953 106 L HN 0.462 nan 8.230 nan 0.000 0.454 107 A N 0.282 123.020 122.820 -0.138 0.000 3.266 107 A HA 0.502 4.822 4.320 -0.000 0.000 0.310 107 A C -2.526 175.024 177.584 -0.058 0.000 1.066 107 A CA -0.947 51.030 52.037 -0.100 0.000 0.839 107 A CB -0.196 18.712 19.000 -0.155 0.000 1.192 107 A HN -0.115 nan 8.150 nan 0.000 0.496 108 P HA 0.184 nan 4.420 nan 0.000 0.267 108 P C 0.808 178.142 177.300 0.057 0.000 1.209 108 P CA 0.528 63.686 63.100 0.096 0.000 0.763 108 P CB 0.742 32.539 31.700 0.161 0.000 0.816 109 T N 1.582 116.174 114.554 0.064 0.000 2.813 109 T HA 0.173 4.523 4.350 -0.000 0.000 0.297 109 T C -1.704 173.015 174.700 0.031 0.000 1.036 109 T CA -1.517 60.608 62.100 0.041 0.000 1.044 109 T CB 0.052 68.948 68.868 0.048 0.000 0.993 109 T HN 0.116 nan 8.240 nan 0.000 0.535 110 P HA -0.081 nan 4.420 nan 0.000 0.216 110 P C 1.245 178.547 177.300 0.004 0.000 1.150 110 P CA 1.134 64.238 63.100 0.008 0.000 0.843 110 P CB -0.017 31.686 31.700 0.006 0.000 0.787 111 E N -1.029 119.177 120.200 0.010 0.000 2.265 111 E HA -0.116 4.234 4.350 -0.000 0.000 0.196 111 E C 1.563 178.160 176.600 -0.006 0.000 0.996 111 E CA 0.823 57.226 56.400 0.004 0.000 0.832 111 E CB -0.614 29.094 29.700 0.013 0.000 0.756 111 E HN 0.289 nan 8.360 nan 0.000 0.491 112 L N -1.523 119.701 121.223 0.001 0.000 2.567 112 L HA 0.253 4.593 4.340 -0.000 0.000 0.225 112 L C 1.204 178.045 176.870 -0.048 0.000 1.119 112 L CA 0.316 55.140 54.840 -0.027 0.000 0.871 112 L CB 0.203 42.269 42.059 0.012 0.000 1.036 112 L HN 0.292 nan 8.230 nan 0.000 0.459 113 G N -0.259 108.525 108.800 -0.027 0.000 2.131 113 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.201 113 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.201 113 G C 0.808 175.696 174.900 -0.019 0.000 1.000 113 G CA -0.060 45.020 45.100 -0.032 0.000 0.680 113 G HN 0.555 nan 8.290 nan 0.000 0.514 114 G N -1.404 107.397 108.800 0.001 0.000 2.341 114 G HA2 0.059 4.019 3.960 -0.000 0.000 0.292 114 G HA3 0.059 4.019 3.960 -0.000 0.000 0.292 114 G C 1.040 175.951 174.900 0.019 0.000 1.021 114 G CA 1.349 46.457 45.100 0.014 0.000 0.905 114 G HN 2.493 nan 8.290 nan 0.000 0.508 115 C N -3.196 116.121 119.300 0.028 0.000 3.288 115 C HA 0.894 5.354 4.460 -0.000 0.000 0.318 115 C C -0.560 174.484 174.990 0.091 0.000 1.356 115 C CA -1.785 57.252 59.018 0.032 0.000 1.359 115 C CB 1.983 29.704 27.740 -0.031 0.000 1.688 115 C HN 0.860 nan 8.230 nan 0.000 0.467 116 W N 3.015 124.242 121.300 -0.122 0.000 2.900 116 W HA 0.552 5.212 4.660 -0.000 0.000 0.336 116 W C -2.544 173.868 176.519 -0.178 0.000 1.064 116 W CA -1.426 55.836 57.345 -0.138 0.000 1.237 116 W CB 1.970 31.352 29.460 -0.131 0.000 1.391 116 W HN 0.869 nan 8.180 nan 0.000 0.468 117 P HA 0.234 nan 4.420 nan 0.000 0.272 117 P C -2.565 174.292 177.300 -0.738 0.000 1.230 117 P CA -0.857 61.584 63.100 -1.099 0.000 0.788 117 P CB 0.186 31.264 31.700 -1.037 0.000 0.949 118 P HA 0.021 nan 4.420 nan 0.000 0.269 118 P C -0.092 176.950 177.300 -0.429 0.000 1.217 118 P CA 0.352 63.164 63.100 -0.479 0.000 0.783 118 P CB -0.040 31.383 31.700 -0.462 0.000 0.898 119 T N 1.678 116.065 114.554 -0.279 0.000 2.902 119 T HA 0.339 4.689 4.350 -0.000 0.000 0.301 119 T C 1.311 175.844 174.700 -0.278 0.000 1.012 119 T CA 1.471 63.428 62.100 -0.239 0.000 1.151 119 T CB -0.498 68.282 68.868 -0.147 0.000 0.946 119 T HN 0.813 nan 8.240 nan 0.000 0.542 120 G N 3.057 111.660 108.800 -0.328 0.000 2.157 120 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.239 120 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.239 120 G C 0.042 174.615 174.900 -0.545 0.000 0.982 120 G CA -0.586 44.315 45.100 -0.332 0.000 0.650 120 G HN 0.621 nan 8.290 nan 0.000 0.527 121 I N 2.029 122.147 120.570 -0.754 0.000 2.378 121 I HA 0.394 4.564 4.170 -0.000 0.000 0.291 121 I C -0.395 175.126 176.117 -0.994 0.000 0.992 121 I CA -0.764 60.018 61.300 -0.864 0.000 1.154 121 I CB 1.362 38.693 38.000 -1.116 0.000 1.315 121 I HN 0.090 nan 8.210 nan 0.000 0.448 122 H N 6.145 125.030 119.070 -0.309 0.000 2.718 122 H HA 0.363 4.919 4.556 -0.000 0.000 0.295 122 H C -2.311 172.926 175.328 -0.152 0.000 1.051 122 H CA -1.880 54.052 56.048 -0.194 0.000 1.260 122 H CB 0.980 30.695 29.762 -0.078 0.000 1.403 122 H HN 0.223 nan 8.280 nan 0.000 0.488 123 P HA 0.013 nan 4.420 nan 0.000 0.269 123 P C 0.485 177.860 177.300 0.125 0.000 1.209 123 P CA -0.281 62.771 63.100 -0.081 0.000 0.776 123 P CB 0.997 32.649 31.700 -0.079 0.000 0.876 124 L N 1.910 123.271 121.223 0.229 0.000 2.473 124 L HA 0.130 4.470 4.340 -0.000 0.000 0.268 124 L C 1.131 178.136 176.870 0.225 0.000 1.215 124 L CA -0.203 54.790 54.840 0.255 0.000 0.823 124 L CB -0.063 42.209 42.059 0.355 0.000 1.099 124 L HN 0.412 nan 8.230 nan 0.000 0.483 125 N N 2.830 121.644 118.700 0.191 0.000 2.430 125 N HA 0.128 4.868 4.740 -0.000 0.000 0.265 125 N C -1.648 173.976 175.510 0.190 0.000 1.100 125 N CA -2.000 51.145 53.050 0.158 0.000 0.961 125 N CB 1.183 39.737 38.487 0.111 0.000 1.075 125 N HN 0.286 nan 8.380 nan 0.000 0.478 126 P HA -0.111 nan 4.420 nan 0.000 0.222 126 P C 0.921 178.300 177.300 0.131 0.000 1.147 126 P CA 0.593 63.775 63.100 0.136 0.000 0.790 126 P CB 0.472 32.141 31.700 -0.051 0.000 0.780 127 L N -0.617 120.648 121.223 0.070 0.000 2.591 127 L HA 0.176 4.516 4.340 -0.000 0.000 0.228 127 L C 1.696 178.598 176.870 0.054 0.000 1.133 127 L CA 0.819 55.682 54.840 0.039 0.000 0.880 127 L CB -1.223 40.844 42.059 0.014 0.000 1.033 127 L HN 0.068 nan 8.230 nan 0.000 0.450 128 E N -0.891 119.360 120.200 0.085 0.000 3.497 128 E HA 0.091 4.441 4.350 -0.000 0.000 0.384 128 E C 1.696 178.331 176.600 0.058 0.000 0.451 128 E CA -0.166 56.275 56.400 0.069 0.000 2.217 128 E CB 0.310 30.058 29.700 0.080 0.000 2.185 128 E HN -0.160 nan 8.360 nan 0.000 0.461 129 V N 1.956 121.907 119.914 0.061 0.000 2.392 129 V HA -0.183 3.937 4.120 -0.000 0.000 0.249 129 V C -1.184 174.913 176.094 0.005 0.000 1.059 129 V CA 1.975 64.280 62.300 0.009 0.000 1.051 129 V CB -1.447 30.378 31.823 0.005 0.000 0.658 129 V HN 0.347 nan 8.190 nan 0.000 0.455 130 P HA -0.142 nan 4.420 nan 0.000 0.216 130 P C 1.903 179.295 177.300 0.153 0.000 1.150 130 P CA 1.116 64.316 63.100 0.166 0.000 0.837 130 P CB -0.017 31.800 31.700 0.196 0.000 0.786 131 L N -1.069 120.204 121.223 0.083 0.000 2.109 131 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 131 L C 2.062 178.863 176.870 -0.114 0.000 1.086 131 L CA 1.532 56.313 54.840 -0.098 0.000 0.760 131 L CB -1.419 40.618 42.059 -0.036 0.000 0.910 131 L HN -0.131 nan 8.230 nan 0.000 0.437 132 L N 0.040 121.216 121.223 -0.078 0.000 1.994 132 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 132 L C 2.255 179.027 176.870 -0.163 0.000 1.071 132 L CA 1.814 56.589 54.840 -0.109 0.000 0.745 132 L CB -1.167 40.815 42.059 -0.128 0.000 0.892 132 L HN 0.337 nan 8.230 nan 0.000 0.431 133 N N -0.762 117.808 118.700 -0.218 0.000 2.137 133 N HA -0.185 4.555 4.740 -0.000 0.000 0.190 133 N C 1.692 177.092 175.510 -0.182 0.000 1.017 133 N CA 1.935 54.803 53.050 -0.303 0.000 0.859 133 N CB -0.499 37.649 38.487 -0.565 0.000 1.002 133 N HN 0.489 nan 8.380 nan 0.000 0.428 134 T N 0.067 114.587 114.554 -0.057 0.000 2.812 134 T HA -0.089 4.261 4.350 -0.000 0.000 0.264 134 T C 2.165 176.829 174.700 -0.061 0.000 1.042 134 T CA 1.511 63.618 62.100 0.012 0.000 1.140 134 T CB -0.276 68.436 68.868 -0.260 0.000 0.870 134 T HN 0.471 nan 8.240 nan 0.000 0.445 135 S N 1.169 116.822 115.700 -0.078 0.000 2.402 135 S HA -0.048 4.422 4.470 -0.000 0.000 0.229 135 S C 2.144 176.746 174.600 0.002 0.000 1.021 135 S CA 0.636 58.815 58.200 -0.036 0.000 0.974 135 S CB -0.801 62.382 63.200 -0.027 0.000 0.800 135 S HN 0.272 nan 8.310 nan 0.000 0.484 136 V N 2.130 122.038 119.914 -0.009 0.000 2.270 136 V HA -0.084 4.036 4.120 -0.000 0.000 0.245 136 V C 2.613 178.735 176.094 0.046 0.000 1.043 136 V CA 1.792 64.120 62.300 0.046 0.000 1.014 136 V CB -0.753 31.076 31.823 0.011 0.000 0.645 136 V HN 0.478 nan 8.190 nan 0.000 0.447 137 L N -0.877 120.315 121.223 -0.052 0.000 2.056 137 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 137 L C 2.415 179.275 176.870 -0.018 0.000 1.078 137 L CA 1.405 56.168 54.840 -0.129 0.000 0.749 137 L CB -0.476 41.356 42.059 -0.379 0.000 0.901 137 L HN 0.317 nan 8.230 nan 0.000 0.433 138 L N -0.356 120.871 121.223 0.006 0.000 2.083 138 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 138 L C 2.851 179.777 176.870 0.093 0.000 1.083 138 L CA 1.179 56.047 54.840 0.047 0.000 0.752 138 L CB -0.623 41.451 42.059 0.025 0.000 0.899 138 L HN 0.243 nan 8.230 nan 0.000 0.433 139 A N -0.047 122.828 122.820 0.092 0.000 1.930 139 A HA -0.202 4.117 4.320 -0.000 0.000 0.217 139 A C 2.497 180.182 177.584 0.169 0.000 1.175 139 A CA 1.802 53.910 52.037 0.118 0.000 0.627 139 A CB -0.649 18.414 19.000 0.105 0.000 0.815 139 A HN 0.519 nan 8.150 nan 0.000 0.443 140 S N -0.477 115.345 115.700 0.203 0.000 2.447 140 S HA 0.042 4.512 4.470 -0.000 0.000 0.233 140 S C 1.895 176.702 174.600 0.346 0.000 1.006 140 S CA 1.243 59.615 58.200 0.286 0.000 0.957 140 S CB -0.812 62.662 63.200 0.457 0.000 0.773 140 S HN 0.625 nan 8.310 nan 0.000 0.507 141 G N 1.226 110.215 108.800 0.314 0.000 2.403 141 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.216 141 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.216 141 G C 1.378 176.485 174.900 0.345 0.000 1.154 141 G CA 0.808 46.130 45.100 0.370 0.000 0.784 141 G HN 0.476 nan 8.290 nan 0.000 0.538 142 V N 1.893 121.959 119.914 0.253 0.000 2.307 142 V HA -0.175 3.945 4.120 -0.000 0.000 0.245 142 V C 3.255 179.522 176.094 0.289 0.000 1.045 142 V CA 2.296 64.734 62.300 0.229 0.000 1.024 142 V CB -0.427 31.490 31.823 0.157 0.000 0.651 142 V HN 0.591 nan 8.190 nan 0.000 0.449 143 S N -0.128 115.743 115.700 0.285 0.000 2.402 143 S HA -0.124 4.346 4.470 -0.000 0.000 0.229 143 S C 2.045 176.800 174.600 0.259 0.000 1.021 143 S CA 1.529 59.937 58.200 0.345 0.000 0.974 143 S CB -0.571 62.794 63.200 0.274 0.000 0.800 143 S HN 0.535 nan 8.310 nan 0.000 0.484 144 I N 1.528 122.220 120.570 0.203 0.000 2.546 144 I HA -0.123 4.047 4.170 -0.000 0.000 0.255 144 I C 1.976 178.284 176.117 0.318 0.000 1.163 144 I CA 1.207 62.601 61.300 0.157 0.000 1.457 144 I CB -0.353 37.645 38.000 -0.004 0.000 1.092 144 I HN 0.323 nan 8.210 nan 0.000 0.434 145 T N 0.104 114.890 114.554 0.385 0.000 2.821 145 T HA -0.222 4.128 4.350 -0.000 0.000 0.267 145 T C 1.301 176.329 174.700 0.548 0.000 1.046 145 T CA 1.401 63.792 62.100 0.485 0.000 1.139 145 T CB -0.417 68.701 68.868 0.417 0.000 0.871 145 T HN 0.630 nan 8.240 nan 0.000 0.454 146 W N 2.699 124.137 121.300 0.231 0.000 2.358 146 W HA 0.071 4.731 4.660 -0.000 0.000 0.303 146 W C 2.417 179.033 176.519 0.162 0.000 1.208 146 W CA 0.487 57.923 57.345 0.152 0.000 1.274 146 W CB -1.017 28.487 29.460 0.072 0.000 1.138 146 W HN 0.239 nan 8.180 nan 0.000 0.515 147 A N -0.223 122.601 122.820 0.007 0.000 1.877 147 A HA -0.290 4.030 4.320 -0.000 0.000 0.216 147 A C 2.213 179.716 177.584 -0.135 0.000 1.186 147 A CA 1.976 53.892 52.037 -0.202 0.000 0.620 147 A CB -1.624 17.339 19.000 -0.062 0.000 0.822 147 A HN 0.643 nan 8.150 nan 0.000 0.443 148 H N -1.577 117.511 119.070 0.030 0.000 2.319 148 H HA -0.188 4.368 4.556 -0.000 0.000 0.299 148 H C 2.072 177.314 175.328 -0.144 0.000 1.092 148 H CA 1.783 57.793 56.048 -0.063 0.000 1.302 148 H CB -0.181 29.749 29.762 0.280 0.000 1.373 148 H HN 0.654 nan 8.280 nan 0.000 0.497 149 H N -0.403 118.645 119.070 -0.036 0.000 2.387 149 H HA -0.075 4.481 4.556 -0.000 0.000 0.299 149 H C 2.559 177.858 175.328 -0.050 0.000 1.090 149 H CA 1.246 57.258 56.048 -0.061 0.000 1.332 149 H CB 0.200 30.013 29.762 0.085 0.000 1.386 149 H HN 0.328 nan 8.280 nan 0.000 0.516 150 S N 0.731 116.482 115.700 0.085 0.000 2.355 150 S HA -0.112 4.358 4.470 -0.000 0.000 0.222 150 S C 2.239 176.776 174.600 -0.105 0.000 1.031 150 S CA 0.713 58.931 58.200 0.030 0.000 0.993 150 S CB -0.293 62.890 63.200 -0.029 0.000 0.859 150 S HN 0.166 nan 8.310 nan 0.000 0.453 151 L N 1.685 122.746 121.223 -0.271 0.000 2.046 151 L HA 0.037 4.377 4.340 -0.000 0.000 0.208 151 L C 2.073 178.795 176.870 -0.248 0.000 1.077 151 L CA 1.803 56.426 54.840 -0.362 0.000 0.747 151 L CB -0.568 41.054 42.059 -0.727 0.000 0.896 151 L HN 0.306 nan 8.230 nan 0.000 0.432 152 M N -1.239 118.204 119.600 -0.261 0.000 2.319 152 M HA -0.124 4.356 4.480 -0.000 0.000 0.265 152 M C 1.482 177.758 176.300 -0.041 0.000 1.068 152 M CA 1.240 56.466 55.300 -0.124 0.000 1.118 152 M CB -0.225 32.244 32.600 -0.218 0.000 1.395 152 M HN 0.282 nan 8.290 nan 0.000 0.435 153 E N -0.054 120.130 120.200 -0.027 0.000 2.476 153 E HA 0.105 4.455 4.350 -0.000 0.000 0.191 153 E C 1.013 177.626 176.600 0.022 0.000 1.064 153 E CA 0.180 56.593 56.400 0.023 0.000 0.866 153 E CB 0.161 29.899 29.700 0.064 0.000 0.952 153 E HN 0.646 nan 8.360 nan 0.000 0.492 154 G N 2.566 111.366 108.800 -0.001 0.000 2.153 154 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.252 154 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.252 154 G C -0.079 174.821 174.900 -0.001 0.000 0.994 154 G CA 0.365 45.469 45.100 0.006 0.000 0.698 154 G HN 0.305 nan 8.290 nan 0.000 0.521 155 D N 0.094 120.490 120.400 -0.007 0.000 2.441 155 D HA 0.282 4.922 4.640 -0.000 0.000 0.221 155 D C 1.556 177.813 176.300 -0.073 0.000 1.156 155 D CA -0.528 53.467 54.000 -0.008 0.000 0.896 155 D CB 0.338 41.190 40.800 0.086 0.000 1.028 155 D HN 0.406 nan 8.370 nan 0.000 0.509 156 R N 4.041 124.482 120.500 -0.098 0.000 2.073 156 R HA -0.148 4.192 4.340 -0.000 0.000 0.234 156 R C 1.850 178.031 176.300 -0.199 0.000 1.134 156 R CA 1.180 57.182 56.100 -0.163 0.000 0.952 156 R CB 0.076 30.284 30.300 -0.152 0.000 0.850 156 R HN 0.287 nan 8.270 nan 0.000 0.433 157 K N -0.307 119.975 120.400 -0.196 0.000 2.009 157 K HA -0.209 4.111 4.320 -0.000 0.000 0.210 157 K C 1.874 178.387 176.600 -0.145 0.000 1.049 157 K CA 2.102 58.263 56.287 -0.210 0.000 0.929 157 K CB -0.251 32.087 32.500 -0.271 0.000 0.714 157 K HN 0.479 nan 8.250 nan 0.000 0.440 158 H N -0.612 118.418 119.070 -0.065 0.000 2.457 158 H HA -0.069 4.487 4.556 -0.000 0.000 0.294 158 H C 2.082 177.192 175.328 -0.363 0.000 1.064 158 H CA 0.930 56.931 56.048 -0.079 0.000 1.330 158 H CB 0.154 30.010 29.762 0.157 0.000 1.395 158 H HN 0.217 nan 8.280 nan 0.000 0.541 159 M N 0.806 120.289 119.600 -0.195 0.000 2.099 159 M HA -0.130 4.350 4.480 -0.000 0.000 0.262 159 M C 1.912 178.034 176.300 -0.297 0.000 1.067 159 M CA 1.505 56.610 55.300 -0.325 0.000 1.124 159 M CB -0.441 31.973 32.600 -0.310 0.000 1.353 159 M HN 0.324 nan 8.290 nan 0.000 0.410 160 L N -0.235 120.845 121.223 -0.239 0.000 2.083 160 L HA -0.239 4.101 4.340 -0.000 0.000 0.209 160 L C 2.653 179.546 176.870 0.037 0.000 1.083 160 L CA 1.434 56.183 54.840 -0.150 0.000 0.752 160 L CB -0.659 41.231 42.059 -0.282 0.000 0.899 160 L HN 0.462 nan 8.230 nan 0.000 0.433 161 Q N -0.080 119.672 119.800 -0.079 0.000 2.046 161 Q HA -0.216 4.124 4.340 -0.000 0.000 0.200 161 Q C 2.293 178.196 176.000 -0.162 0.000 0.975 161 Q CA 1.759 57.541 55.803 -0.035 0.000 0.836 161 Q CB -0.067 28.697 28.738 0.044 0.000 0.896 161 Q HN 0.509 nan 8.270 nan 0.000 0.428 162 A N 0.648 123.070 122.820 -0.662 0.000 1.930 162 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 162 A C 1.952 179.378 177.584 -0.263 0.000 1.175 162 A CA 1.190 52.736 52.037 -0.817 0.000 0.627 162 A CB -0.664 17.404 19.000 -1.554 0.000 0.815 162 A HN 0.483 nan 8.150 nan 0.000 0.443 163 L N -1.529 119.601 121.223 -0.155 0.000 2.093 163 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 163 L C 2.092 178.942 176.870 -0.033 0.000 1.085 163 L CA 1.921 56.749 54.840 -0.020 0.000 0.755 163 L CB -0.876 41.256 42.059 0.122 0.000 0.904 163 L HN 0.428 nan 8.230 nan 0.000 0.435 164 F N 0.052 119.929 119.950 -0.122 0.000 2.102 164 F HA -0.184 4.343 4.527 -0.000 0.000 0.298 164 F C 2.239 177.922 175.800 -0.195 0.000 1.105 164 F CA 1.781 59.620 58.000 -0.268 0.000 1.239 164 F CB -0.282 38.608 39.000 -0.184 0.000 0.991 164 F HN 0.053 nan 8.300 nan 0.000 0.474 165 I N -0.302 120.230 120.570 -0.062 0.000 2.208 165 I HA -0.347 3.822 4.170 -0.000 0.000 0.245 165 I C 2.208 178.227 176.117 -0.163 0.000 1.097 165 I CA 1.809 63.053 61.300 -0.094 0.000 1.363 165 I CB -0.984 37.082 38.000 0.111 0.000 1.051 165 I HN 0.176 nan 8.210 nan 0.000 0.413 166 T N 1.242 115.700 114.554 -0.159 0.000 2.684 166 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 166 T C 1.900 176.404 174.700 -0.328 0.000 1.036 166 T CA 1.456 63.434 62.100 -0.203 0.000 1.148 166 T CB -0.262 68.433 68.868 -0.289 0.000 0.863 166 T HN 0.255 nan 8.240 nan 0.000 0.436 167 I N 0.980 121.299 120.570 -0.418 0.000 2.252 167 I HA -0.155 4.015 4.170 -0.000 0.000 0.245 167 I C 2.727 178.633 176.117 -0.351 0.000 1.102 167 I CA 1.061 62.099 61.300 -0.437 0.000 1.385 167 I CB -0.656 37.058 38.000 -0.476 0.000 1.064 167 I HN 0.226 nan 8.210 nan 0.000 0.414 168 T N 1.393 115.666 114.554 -0.469 0.000 2.720 168 T HA -0.149 4.201 4.350 -0.000 0.000 0.268 168 T C 1.970 176.600 174.700 -0.116 0.000 1.037 168 T CA 1.316 63.189 62.100 -0.377 0.000 1.144 168 T CB -0.346 68.205 68.868 -0.527 0.000 0.864 168 T HN 0.229 nan 8.240 nan 0.000 0.444 169 L N 0.584 121.775 121.223 -0.054 0.000 2.042 169 L HA -0.062 4.278 4.340 -0.000 0.000 0.210 169 L C 3.010 180.005 176.870 0.208 0.000 1.076 169 L CA 1.461 56.378 54.840 0.129 0.000 0.749 169 L CB -0.968 41.169 42.059 0.131 0.000 0.893 169 L HN 0.372 nan 8.230 nan 0.000 0.432 170 G N -0.727 108.177 108.800 0.172 0.000 2.422 170 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.218 170 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.218 170 G C 1.564 176.604 174.900 0.232 0.000 1.146 170 G CA 0.904 46.193 45.100 0.314 0.000 0.769 170 G HN 0.214 nan 8.290 nan 0.000 0.547 171 V N -0.228 119.752 119.914 0.111 0.000 2.453 171 V HA -0.136 3.984 4.120 -0.000 0.000 0.247 171 V C 2.277 178.467 176.094 0.160 0.000 1.048 171 V CA 1.351 63.708 62.300 0.094 0.000 1.049 171 V CB -0.659 31.164 31.823 0.001 0.000 0.672 171 V HN 0.429 nan 8.190 nan 0.000 0.457 172 Y N 0.646 120.951 120.300 0.009 0.000 2.128 172 Y HA -0.296 4.254 4.550 -0.000 0.000 0.284 172 Y C 2.335 178.232 175.900 -0.005 0.000 1.154 172 Y CA 1.527 59.622 58.100 -0.008 0.000 1.149 172 Y CB -0.903 37.552 38.460 -0.010 0.000 0.976 172 Y HN 0.323 nan 8.280 nan 0.000 0.505 173 F N 0.452 120.348 119.950 -0.091 0.000 2.095 173 F HA -0.265 4.262 4.527 -0.000 0.000 0.298 173 F C 2.245 177.923 175.800 -0.203 0.000 1.104 173 F CA 2.587 60.433 58.000 -0.257 0.000 1.232 173 F CB -0.676 38.179 39.000 -0.242 0.000 0.987 173 F HN -0.031 nan 8.300 nan 0.000 0.475 174 T N 1.658 116.302 114.554 0.151 0.000 2.746 174 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 174 T C 2.067 176.707 174.700 -0.100 0.000 1.039 174 T CA 1.769 63.901 62.100 0.054 0.000 1.142 174 T CB -0.460 68.483 68.868 0.125 0.000 0.866 174 T HN 0.259 nan 8.240 nan 0.000 0.444 175 L N 0.208 121.396 121.223 -0.059 0.000 2.072 175 L HA 0.024 4.364 4.340 -0.000 0.000 0.205 175 L C 2.488 179.281 176.870 -0.127 0.000 1.079 175 L CA 0.955 55.763 54.840 -0.053 0.000 0.752 175 L CB -0.609 41.470 42.059 0.034 0.000 0.906 175 L HN 0.234 nan 8.230 nan 0.000 0.436 176 L N -0.476 120.602 121.223 -0.240 0.000 2.042 176 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 176 L C 2.704 179.397 176.870 -0.295 0.000 1.076 176 L CA 1.189 55.845 54.840 -0.305 0.000 0.749 176 L CB -0.389 41.355 42.059 -0.526 0.000 0.893 176 L HN 0.294 nan 8.230 nan 0.000 0.432 177 Q N -0.196 119.330 119.800 -0.458 0.000 2.119 177 Q HA -0.132 4.208 4.340 -0.000 0.000 0.201 177 Q C 2.201 178.024 176.000 -0.295 0.000 0.972 177 Q CA 1.833 57.383 55.803 -0.421 0.000 0.847 177 Q CB -0.196 28.171 28.738 -0.619 0.000 0.903 177 Q HN 0.454 nan 8.270 nan 0.000 0.433 178 A N -0.402 122.275 122.820 -0.239 0.000 1.902 178 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 178 A C 2.233 179.847 177.584 0.050 0.000 1.181 178 A CA 1.903 53.866 52.037 -0.123 0.000 0.623 178 A CB -1.120 17.836 19.000 -0.074 0.000 0.818 178 A HN 0.500 nan 8.150 nan 0.000 0.443 179 S N -0.364 115.352 115.700 0.027 0.000 2.356 179 S HA -0.216 4.254 4.470 -0.000 0.000 0.223 179 S C 1.858 176.566 174.600 0.179 0.000 1.032 179 S CA 1.650 59.908 58.200 0.096 0.000 1.005 179 S CB -0.458 62.767 63.200 0.043 0.000 0.867 179 S HN 0.524 nan 8.310 nan 0.000 0.449 180 E N 0.176 120.471 120.200 0.157 0.000 2.085 180 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 180 E C 1.927 178.760 176.600 0.388 0.000 0.994 180 E CA 1.255 57.803 56.400 0.247 0.000 0.801 180 E CB -0.579 29.288 29.700 0.278 0.000 0.743 180 E HN 0.674 nan 8.360 nan 0.000 0.453 181 Y N -0.143 120.298 120.300 0.235 0.000 2.128 181 Y HA -0.242 4.308 4.550 -0.000 0.000 0.284 181 Y C 2.321 178.308 175.900 0.145 0.000 1.154 181 Y CA 0.923 59.195 58.100 0.287 0.000 1.149 181 Y CB -1.127 37.493 38.460 0.265 0.000 0.976 181 Y HN 0.196 nan 8.280 nan 0.000 0.505 182 Y N 0.809 121.227 120.300 0.197 0.000 2.242 182 Y HA -0.166 4.384 4.550 -0.000 0.000 0.291 182 Y C 2.091 178.010 175.900 0.032 0.000 1.137 182 Y CA 1.505 59.651 58.100 0.076 0.000 1.181 182 Y CB 0.122 38.620 38.460 0.062 0.000 0.989 182 Y HN -0.000 nan 8.280 nan 0.000 0.527 183 E N 0.614 120.867 120.200 0.087 0.000 2.358 183 E HA 0.070 4.420 4.350 -0.000 0.000 0.195 183 E C 0.666 177.210 176.600 -0.094 0.000 1.010 183 E CA 0.591 56.987 56.400 -0.007 0.000 0.856 183 E CB -0.412 29.335 29.700 0.079 0.000 0.795 183 E HN 0.368 nan 8.360 nan 0.000 0.504 184 A N 3.484 126.223 122.820 -0.135 0.000 2.524 184 A HA 0.104 4.424 4.320 -0.000 0.000 0.250 184 A C -1.051 176.303 177.584 -0.383 0.000 1.078 184 A CA -0.815 51.001 52.037 -0.367 0.000 0.761 184 A CB 0.156 18.802 19.000 -0.590 0.000 1.012 184 A HN -0.053 nan 8.150 nan 0.000 0.500 185 P HA -0.018 nan 4.420 nan 0.000 0.226 185 P C 0.028 177.307 177.300 -0.035 0.000 1.153 185 P CA 0.819 63.862 63.100 -0.094 0.000 0.777 185 P CB -0.181 31.553 31.700 0.057 0.000 0.794 186 F N 0.001 119.953 119.950 0.004 0.000 2.483 186 F HA 0.727 5.254 4.527 -0.000 0.000 0.329 186 F C 0.433 176.319 175.800 0.143 0.000 1.064 186 F CA -1.087 56.934 58.000 0.034 0.000 0.986 186 F CB 0.510 39.507 39.000 -0.006 0.000 1.218 186 F HN -0.269 nan 8.300 nan 0.000 0.484 187 T N -0.881 113.834 114.554 0.268 0.000 2.883 187 T HA 0.404 4.754 4.350 -0.000 0.000 0.284 187 T C 0.651 175.508 174.700 0.262 0.000 1.041 187 T CA -0.669 61.465 62.100 0.057 0.000 1.007 187 T CB 1.496 70.313 68.868 -0.086 0.000 1.220 187 T HN 0.914 nan 8.240 nan 0.000 0.552 188 I N 0.996 121.552 120.570 -0.023 0.000 2.493 188 I HA -0.116 4.054 4.170 -0.000 0.000 0.254 188 I C 2.158 178.369 176.117 0.156 0.000 1.160 188 I CA 1.543 62.954 61.300 0.186 0.000 1.445 188 I CB -0.073 37.928 38.000 0.000 0.000 1.086 188 I HN 0.831 nan 8.210 nan 0.000 0.433 189 S N -1.147 114.598 115.700 0.075 0.000 2.603 189 S HA 0.034 4.504 4.470 -0.000 0.000 0.220 189 S C 0.541 175.188 174.600 0.078 0.000 0.967 189 S CA -0.170 58.064 58.200 0.056 0.000 0.920 189 S CB -0.352 62.853 63.200 0.008 0.000 0.773 189 S HN 0.302 nan 8.310 nan 0.000 0.529 190 D N 3.017 123.497 120.400 0.134 0.000 2.845 190 D HA 0.466 5.106 4.640 -0.000 0.000 0.235 190 D C 1.255 177.619 176.300 0.106 0.000 1.158 190 D CA 0.735 54.802 54.000 0.111 0.000 0.990 190 D CB -0.139 40.747 40.800 0.145 0.000 1.094 190 D HN 0.523 nan 8.370 nan 0.000 0.486 191 G N -0.189 108.663 108.800 0.087 0.000 2.645 191 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.246 191 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.246 191 G C 0.994 175.984 174.900 0.151 0.000 1.322 191 G CA -0.235 44.920 45.100 0.093 0.000 0.898 191 G HN 0.331 nan 8.290 nan 0.000 0.573 192 V N 0.094 120.114 119.914 0.176 0.000 2.759 192 V HA -0.005 4.115 4.120 -0.000 0.000 0.256 192 V C 2.123 178.419 176.094 0.337 0.000 1.080 192 V CA 2.859 65.305 62.300 0.242 0.000 1.101 192 V CB -0.783 31.195 31.823 0.259 0.000 0.698 192 V HN 0.687 nan 8.190 nan 0.000 0.477 193 Y N 0.954 121.341 120.300 0.144 0.000 2.184 193 Y HA 0.036 4.586 4.550 -0.000 0.000 0.290 193 Y C 2.293 178.244 175.900 0.086 0.000 1.129 193 Y CA 1.956 60.092 58.100 0.060 0.000 1.144 193 Y CB -0.638 37.528 38.460 -0.492 0.000 0.995 193 Y HN 0.227 nan 8.280 nan 0.000 0.513 194 G N -0.900 108.071 108.800 0.285 0.000 2.408 194 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 194 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 194 G C 1.781 176.915 174.900 0.389 0.000 1.150 194 G CA 0.985 46.330 45.100 0.409 0.000 0.776 194 G HN 0.436 nan 8.290 nan 0.000 0.542 195 S N 0.566 116.433 115.700 0.277 0.000 2.351 195 S HA -0.192 4.278 4.470 -0.000 0.000 0.220 195 S C 2.792 177.523 174.600 0.217 0.000 1.035 195 S CA 2.288 60.632 58.200 0.240 0.000 1.031 195 S CB -0.764 62.553 63.200 0.194 0.000 0.928 195 S HN 0.721 nan 8.310 nan 0.000 0.433 196 T N 0.073 114.745 114.554 0.197 0.000 2.777 196 T HA -0.081 4.269 4.350 -0.000 0.000 0.266 196 T C 1.585 176.292 174.700 0.011 0.000 1.040 196 T CA 1.141 63.336 62.100 0.159 0.000 1.141 196 T CB -0.746 68.281 68.868 0.265 0.000 0.868 196 T HN 0.277 nan 8.240 nan 0.000 0.444 197 F N 1.536 121.356 119.950 -0.218 0.000 2.026 197 F HA 0.023 4.550 4.527 -0.000 0.000 0.296 197 F C 1.907 177.503 175.800 -0.341 0.000 1.133 197 F CA 1.354 59.092 58.000 -0.436 0.000 1.188 197 F CB -0.536 38.043 39.000 -0.702 0.000 0.968 197 F HN 0.134 nan 8.300 nan 0.000 0.476 198 F N -0.637 119.417 119.950 0.174 0.000 2.259 198 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 198 F C 2.245 178.033 175.800 -0.020 0.000 1.088 198 F CA 1.033 59.049 58.000 0.026 0.000 1.358 198 F CB -0.768 38.245 39.000 0.021 0.000 1.040 198 F HN -0.196 nan 8.300 nan 0.000 0.505 199 V N -0.217 119.777 119.914 0.132 0.000 2.358 199 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 199 V C 2.478 178.531 176.094 -0.069 0.000 1.047 199 V CA 1.720 64.038 62.300 0.030 0.000 1.035 199 V CB -1.137 30.740 31.823 0.089 0.000 0.658 199 V HN 0.343 nan 8.190 nan 0.000 0.452 200 A N 0.895 123.632 122.820 -0.138 0.000 1.855 200 A HA -0.205 4.115 4.320 -0.000 0.000 0.215 200 A C 2.506 180.135 177.584 0.074 0.000 1.191 200 A CA 2.447 54.402 52.037 -0.138 0.000 0.613 200 A CB -1.103 17.721 19.000 -0.293 0.000 0.829 200 A HN 0.599 nan 8.150 nan 0.000 0.442 201 T N -2.717 111.811 114.554 -0.044 0.000 2.915 201 T HA 0.087 4.437 4.350 -0.000 0.000 0.269 201 T C 1.815 176.747 174.700 0.387 0.000 1.071 201 T CA 1.503 63.711 62.100 0.180 0.000 1.132 201 T CB -0.643 68.223 68.868 -0.003 0.000 0.878 201 T HN 0.397 nan 8.240 nan 0.000 0.479 202 G N 0.569 109.564 108.800 0.324 0.000 2.414 202 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.215 202 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.215 202 G C 1.186 176.223 174.900 0.228 0.000 1.188 202 G CA 0.437 45.730 45.100 0.322 0.000 0.783 202 G HN 0.460 nan 8.290 nan 0.000 0.537 203 F N 0.546 120.628 119.950 0.220 0.000 2.171 203 F HA -0.026 4.501 4.527 -0.000 0.000 0.300 203 F C 2.459 178.556 175.800 0.494 0.000 1.090 203 F CA 1.395 59.567 58.000 0.286 0.000 1.293 203 F CB -0.550 38.464 39.000 0.023 0.000 1.013 203 F HN 0.260 nan 8.300 nan 0.000 0.486 204 H N -0.137 119.278 119.070 0.575 0.000 2.321 204 H HA -0.125 4.431 4.556 -0.000 0.000 0.300 204 H C 2.411 177.942 175.328 0.339 0.000 1.087 204 H CA 1.576 57.846 56.048 0.371 0.000 1.319 204 H CB -0.612 29.280 29.762 0.216 0.000 1.379 204 H HN 0.325 nan 8.280 nan 0.000 0.501 205 G N 1.465 110.459 108.800 0.324 0.000 2.469 205 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.219 205 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.219 205 G C 1.832 176.840 174.900 0.180 0.000 1.150 205 G CA 0.899 46.136 45.100 0.227 0.000 0.763 205 G HN 0.434 nan 8.290 nan 0.000 0.561 206 L N 0.104 121.488 121.223 0.268 0.000 2.046 206 L HA 0.015 4.355 4.340 -0.000 0.000 0.208 206 L C 2.543 179.580 176.870 0.278 0.000 1.077 206 L CA 1.998 56.997 54.840 0.264 0.000 0.747 206 L CB -0.818 41.426 42.059 0.309 0.000 0.896 206 L HN 0.291 nan 8.230 nan 0.000 0.432 207 H N -1.436 117.754 119.070 0.201 0.000 2.387 207 H HA -0.059 4.497 4.556 -0.000 0.000 0.299 207 H C 2.261 177.655 175.328 0.110 0.000 1.090 207 H CA 1.634 57.811 56.048 0.216 0.000 1.332 207 H CB -0.488 29.334 29.762 0.100 0.000 1.386 207 H HN 0.207 nan 8.280 nan 0.000 0.516 208 V N 0.416 120.329 119.914 -0.003 0.000 2.407 208 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 208 V C 2.342 178.562 176.094 0.210 0.000 1.055 208 V CA 1.600 63.871 62.300 -0.048 0.000 1.049 208 V CB -0.447 31.224 31.823 -0.253 0.000 0.662 208 V HN 0.377 nan 8.190 nan 0.000 0.455 209 I N -0.537 120.141 120.570 0.179 0.000 2.252 209 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 209 I C 2.245 178.477 176.117 0.191 0.000 1.102 209 I CA 1.700 63.103 61.300 0.171 0.000 1.385 209 I CB -0.194 37.885 38.000 0.133 0.000 1.064 209 I HN 0.235 nan 8.210 nan 0.000 0.414 210 I N 0.415 121.119 120.570 0.223 0.000 2.252 210 I HA -0.184 3.986 4.170 -0.000 0.000 0.245 210 I C 2.622 178.909 176.117 0.284 0.000 1.102 210 I CA 1.465 62.889 61.300 0.208 0.000 1.385 210 I CB -0.767 37.347 38.000 0.190 0.000 1.064 210 I HN 0.252 nan 8.210 nan 0.000 0.414 211 G N -0.121 108.990 108.800 0.519 0.000 2.418 211 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 211 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 211 G C 1.767 176.878 174.900 0.352 0.000 1.158 211 G CA 0.872 46.382 45.100 0.683 0.000 0.771 211 G HN 0.321 nan 8.290 nan 0.000 0.545 212 S N 0.258 116.126 115.700 0.280 0.000 2.368 212 S HA -0.119 4.351 4.470 -0.000 0.000 0.225 212 S C 2.581 177.192 174.600 0.019 0.000 1.030 212 S CA 1.747 59.949 58.200 0.003 0.000 0.999 212 S CB -0.461 62.781 63.200 0.070 0.000 0.844 212 S HN 0.456 nan 8.310 nan 0.000 0.459 213 T N 2.058 116.672 114.554 0.100 0.000 2.746 213 T HA -0.065 4.285 4.350 -0.000 0.000 0.267 213 T C 1.442 176.225 174.700 0.137 0.000 1.039 213 T CA 1.009 63.167 62.100 0.098 0.000 1.142 213 T CB -0.391 68.529 68.868 0.088 0.000 0.866 213 T HN 0.312 nan 8.240 nan 0.000 0.444 214 F N 1.807 121.709 119.950 -0.080 0.000 2.102 214 F HA 0.019 4.546 4.527 -0.000 0.000 0.298 214 F C 2.012 177.736 175.800 -0.127 0.000 1.105 214 F CA 0.648 58.553 58.000 -0.158 0.000 1.239 214 F CB -0.983 37.882 39.000 -0.224 0.000 0.991 214 F HN 0.104 nan 8.300 nan 0.000 0.474 215 L N -0.484 120.715 121.223 -0.039 0.000 2.046 215 L HA -0.263 4.077 4.340 -0.000 0.000 0.208 215 L C 2.529 179.383 176.870 -0.027 0.000 1.077 215 L CA 1.344 56.067 54.840 -0.195 0.000 0.747 215 L CB -0.666 41.147 42.059 -0.411 0.000 0.896 215 L HN 0.095 nan 8.230 nan 0.000 0.432 216 I N -0.991 119.591 120.570 0.019 0.000 2.226 216 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 216 I C 2.451 178.737 176.117 0.282 0.000 1.100 216 I CA 0.988 62.350 61.300 0.103 0.000 1.374 216 I CB -0.270 37.804 38.000 0.123 0.000 1.057 216 I HN 0.007 nan 8.210 nan 0.000 0.413 217 V N 0.226 120.303 119.914 0.272 0.000 2.287 217 V HA -0.353 3.767 4.120 -0.000 0.000 0.248 217 V C 2.593 178.842 176.094 0.259 0.000 1.053 217 V CA 2.008 64.485 62.300 0.295 0.000 1.027 217 V CB -0.721 31.242 31.823 0.234 0.000 0.646 217 V HN 0.578 nan 8.190 nan 0.000 0.447 218 C N -0.693 118.753 119.300 0.244 0.000 2.413 218 C HA -0.177 4.283 4.460 -0.000 0.000 0.277 218 C C 2.543 177.663 174.990 0.216 0.000 1.265 218 C CA 1.112 60.321 59.018 0.317 0.000 1.752 218 C CB -1.279 26.626 27.740 0.276 0.000 1.998 218 C HN 0.652 nan 8.230 nan 0.000 0.489 219 F N 0.794 120.725 119.950 -0.031 0.000 2.095 219 F HA -0.140 4.387 4.527 -0.000 0.000 0.298 219 F C 1.928 177.525 175.800 -0.337 0.000 1.104 219 F CA 1.793 59.663 58.000 -0.215 0.000 1.232 219 F CB -0.499 38.292 39.000 -0.349 0.000 0.987 219 F HN 0.170 nan 8.300 nan 0.000 0.475 220 F N 0.363 120.315 119.950 0.004 0.000 2.259 220 F HA -0.011 4.516 4.527 -0.000 0.000 0.298 220 F C 2.441 178.023 175.800 -0.365 0.000 1.088 220 F CA 1.139 59.053 58.000 -0.144 0.000 1.358 220 F CB -0.673 38.326 39.000 -0.002 0.000 1.040 220 F HN -0.170 nan 8.300 nan 0.000 0.505 221 R N -0.326 120.014 120.500 -0.268 0.000 2.115 221 R HA -0.161 4.179 4.340 -0.000 0.000 0.226 221 R C 2.081 177.890 176.300 -0.818 0.000 1.100 221 R CA 1.115 56.773 56.100 -0.737 0.000 0.980 221 R CB -0.359 29.538 30.300 -0.671 0.000 0.875 221 R HN 0.227 nan 8.270 nan 0.000 0.445 222 Q N 1.232 120.671 119.800 -0.602 0.000 2.083 222 Q HA -0.046 4.294 4.340 -0.000 0.000 0.198 222 Q C 1.899 177.516 176.000 -0.639 0.000 0.969 222 Q CA 1.333 56.829 55.803 -0.513 0.000 0.838 222 Q CB -0.210 28.328 28.738 -0.333 0.000 0.900 222 Q HN 0.302 nan 8.270 nan 0.000 0.436 223 L N 0.119 120.946 121.223 -0.660 0.000 2.079 223 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 223 L C 1.562 178.128 176.870 -0.506 0.000 1.081 223 L CA 1.525 55.998 54.840 -0.611 0.000 0.752 223 L CB -0.191 41.609 42.059 -0.432 0.000 0.896 223 L HN 0.239 nan 8.230 nan 0.000 0.433 224 K N -0.562 119.626 120.400 -0.354 0.000 2.476 224 K HA 0.032 4.352 4.320 -0.000 0.000 0.196 224 K C -0.200 176.531 176.600 0.218 0.000 1.025 224 K CA -0.127 56.129 56.287 -0.051 0.000 1.138 224 K CB 0.133 32.546 32.500 -0.145 0.000 0.860 224 K HN 0.048 nan 8.250 nan 0.000 0.515 225 F N -0.581 119.303 119.950 -0.111 0.000 3.057 225 F HA -0.325 4.202 4.527 -0.000 0.000 0.287 225 F C 1.044 176.876 175.800 0.053 0.000 0.834 225 F CA 0.594 58.576 58.000 -0.029 0.000 1.147 225 F CB -2.773 36.234 39.000 0.012 0.000 1.245 225 F HN 0.440 nan 8.300 nan 0.000 0.509 226 H N -1.661 117.322 119.070 -0.145 0.000 2.353 226 H HA -0.063 4.493 4.556 -0.000 0.000 0.300 226 H C 0.855 176.096 175.328 -0.145 0.000 1.090 226 H CA 0.704 56.618 56.048 -0.224 0.000 1.327 226 H CB 0.050 29.524 29.762 -0.480 0.000 1.383 226 H HN 0.071 nan 8.280 nan 0.000 0.508 227 F N 1.826 121.858 119.950 0.136 0.000 2.412 227 F HA 0.116 4.643 4.527 -0.000 0.000 0.348 227 F C 1.183 177.046 175.800 0.106 0.000 1.102 227 F CA -0.796 57.264 58.000 0.100 0.000 1.196 227 F CB 0.675 39.686 39.000 0.019 0.000 1.144 227 F HN -0.052 nan 8.300 nan 0.000 0.541 228 T N -1.979 112.795 114.554 0.365 0.000 2.936 228 T HA 0.320 4.670 4.350 -0.000 0.000 0.282 228 T C 1.049 175.929 174.700 0.299 0.000 1.003 228 T CA -0.178 62.076 62.100 0.257 0.000 1.005 228 T CB 1.324 70.313 68.868 0.202 0.000 1.097 228 T HN 0.551 nan 8.240 nan 0.000 0.532 229 S N 0.274 116.092 115.700 0.197 0.000 2.547 229 S HA -0.062 4.408 4.470 -0.000 0.000 0.235 229 S C 1.318 176.066 174.600 0.248 0.000 0.980 229 S CA 0.664 58.969 58.200 0.175 0.000 0.941 229 S CB -0.551 62.702 63.200 0.089 0.000 0.763 229 S HN 0.790 nan 8.310 nan 0.000 0.532 230 N N 0.079 118.896 118.700 0.196 0.000 2.239 230 N HA 0.060 4.800 4.740 -0.000 0.000 0.208 230 N C -0.773 174.671 175.510 -0.110 0.000 1.200 230 N CA 0.045 53.123 53.050 0.047 0.000 0.895 230 N CB 0.723 39.241 38.487 0.052 0.000 1.085 230 N HN 0.605 nan 8.380 nan 0.000 0.500 231 H N 0.518 119.529 119.070 -0.098 0.000 2.860 231 H HA 0.206 4.762 4.556 -0.000 0.000 0.312 231 H C -0.784 174.562 175.328 0.029 0.000 0.995 231 H CA -0.415 55.576 56.048 -0.095 0.000 1.311 231 H CB 0.221 30.011 29.762 0.047 0.000 1.478 231 H HN 0.203 nan 8.280 nan 0.000 0.508 232 H N 4.291 123.561 119.070 0.334 0.000 3.225 232 H HA -0.041 4.515 4.556 -0.000 0.000 0.205 232 H C -0.524 174.774 175.328 -0.050 0.000 1.314 232 H CA -0.434 55.629 56.048 0.025 0.000 1.336 232 H CB -1.069 28.457 29.762 -0.395 0.000 2.276 232 H HN 0.554 nan 8.280 nan 0.000 0.535 233 F N 2.565 122.591 119.950 0.127 0.000 2.171 233 F HA -0.005 4.522 4.527 -0.000 0.000 0.300 233 F C 2.297 178.054 175.800 -0.071 0.000 1.090 233 F CA 1.858 59.853 58.000 -0.009 0.000 1.293 233 F CB 0.060 39.095 39.000 0.058 0.000 1.013 233 F HN 0.463 nan 8.300 nan 0.000 0.486 234 G N -0.186 108.563 108.800 -0.085 0.000 2.442 234 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.219 234 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.219 234 G C 1.552 176.179 174.900 -0.455 0.000 1.141 234 G CA 0.954 45.994 45.100 -0.099 0.000 0.763 234 G HN 0.483 nan 8.290 nan 0.000 0.554 235 F N 1.118 120.660 119.950 -0.681 0.000 2.128 235 F HA 0.107 4.634 4.527 -0.000 0.000 0.295 235 F C 2.588 177.923 175.800 -0.775 0.000 1.100 235 F CA 1.746 59.283 58.000 -0.772 0.000 1.260 235 F CB -0.114 38.304 39.000 -0.970 0.000 1.009 235 F HN 0.212 nan 8.300 nan 0.000 0.476 236 E N 0.231 119.965 120.200 -0.776 0.000 2.058 236 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 236 E C 2.352 178.041 176.600 -1.519 0.000 0.997 236 E CA 1.120 56.876 56.400 -1.073 0.000 0.801 236 E CB -0.409 28.756 29.700 -0.891 0.000 0.746 236 E HN 0.511 nan 8.360 nan 0.000 0.450 237 A N 1.287 123.182 122.820 -1.541 0.000 1.883 237 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 237 A C 2.377 179.580 177.584 -0.635 0.000 1.186 237 A CA 1.878 53.294 52.037 -1.035 0.000 0.624 237 A CB -0.703 17.816 19.000 -0.802 0.000 0.822 237 A HN 0.331 nan 8.150 nan 0.000 0.444 238 A N -0.326 121.793 122.820 -1.168 0.000 1.933 238 A HA 0.155 4.475 4.320 -0.000 0.000 0.218 238 A C 2.465 179.700 177.584 -0.582 0.000 1.175 238 A CA 2.125 53.406 52.037 -1.260 0.000 0.628 238 A CB -0.897 17.064 19.000 -1.731 0.000 0.814 238 A HN 1.063 nan 8.150 nan 0.000 0.444 239 A N -1.514 120.851 122.820 -0.759 0.000 1.929 239 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 239 A C 1.937 179.531 177.584 0.016 0.000 1.176 239 A CA 1.252 52.996 52.037 -0.489 0.000 0.628 239 A CB -0.672 17.894 19.000 -0.724 0.000 0.816 239 A HN 0.703 nan 8.150 nan 0.000 0.444 240 W N -1.228 120.039 121.300 -0.054 0.000 2.379 240 W HA -0.106 4.554 4.660 -0.000 0.000 0.307 240 W C 2.160 178.826 176.519 0.244 0.000 1.200 240 W CA 0.775 58.207 57.345 0.145 0.000 1.297 240 W CB -1.569 27.961 29.460 0.117 0.000 1.140 240 W HN 0.546 nan 8.180 nan 0.000 0.507 241 Y N -0.903 119.625 120.300 0.381 0.000 2.207 241 Y HA -0.274 4.276 4.550 -0.000 0.000 0.287 241 Y C 2.596 178.740 175.900 0.406 0.000 1.156 241 Y CA 2.131 60.501 58.100 0.450 0.000 1.182 241 Y CB -0.867 37.857 38.460 0.439 0.000 0.979 241 Y HN -0.027 nan 8.280 nan 0.000 0.521 242 W N 0.054 121.413 121.300 0.099 0.000 2.358 242 W HA -0.261 4.399 4.660 -0.000 0.000 0.303 242 W C 2.016 178.437 176.519 -0.164 0.000 1.208 242 W CA 1.976 59.248 57.345 -0.122 0.000 1.274 242 W CB -0.320 28.957 29.460 -0.304 0.000 1.138 242 W HN 0.251 nan 8.180 nan 0.000 0.515 243 H N -0.786 118.374 119.070 0.151 0.000 2.389 243 H HA -0.166 4.390 4.556 -0.000 0.000 0.299 243 H C 1.990 177.330 175.328 0.020 0.000 1.081 243 H CA 1.608 57.688 56.048 0.053 0.000 1.345 243 H CB -1.179 28.666 29.762 0.139 0.000 1.393 243 H HN 0.309 nan 8.280 nan 0.000 0.520 244 F N 1.133 121.087 119.950 0.007 0.000 2.069 244 F HA -0.229 4.298 4.527 -0.000 0.000 0.298 244 F C 2.304 177.994 175.800 -0.183 0.000 1.113 244 F CA 1.030 58.980 58.000 -0.083 0.000 1.214 244 F CB -0.458 38.464 39.000 -0.130 0.000 0.978 244 F HN -0.156 nan 8.300 nan 0.000 0.474 245 V N 0.970 120.495 119.914 -0.649 0.000 2.332 245 V HA -0.326 3.794 4.120 -0.000 0.000 0.248 245 V C 2.106 177.905 176.094 -0.493 0.000 1.055 245 V CA 2.373 64.178 62.300 -0.825 0.000 1.038 245 V CB -0.749 30.585 31.823 -0.815 0.000 0.651 245 V HN 0.486 nan 8.190 nan 0.000 0.450 246 D N -0.146 119.967 120.400 -0.478 0.000 2.097 246 D HA -0.137 4.503 4.640 -0.000 0.000 0.195 246 D C 2.083 178.331 176.300 -0.088 0.000 0.989 246 D CA 1.559 55.380 54.000 -0.299 0.000 0.827 246 D CB -0.188 40.470 40.800 -0.237 0.000 0.966 246 D HN 0.237 nan 8.370 nan 0.000 0.456 247 V N 0.116 119.998 119.914 -0.052 0.000 2.343 247 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 247 V C 2.745 178.887 176.094 0.079 0.000 1.051 247 V CA 1.257 63.592 62.300 0.058 0.000 1.036 247 V CB -0.360 31.538 31.823 0.125 0.000 0.654 247 V HN 0.125 nan 8.190 nan 0.000 0.451 248 V N -0.624 119.199 119.914 -0.153 0.000 2.407 248 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 248 V C 2.083 178.067 176.094 -0.183 0.000 1.055 248 V CA 2.334 64.470 62.300 -0.273 0.000 1.049 248 V CB -0.662 30.731 31.823 -0.717 0.000 0.662 248 V HN 0.807 nan 8.190 nan 0.000 0.455 249 W N 0.345 121.400 121.300 -0.408 0.000 2.358 249 W HA -0.160 4.500 4.660 -0.000 0.000 0.303 249 W C 2.076 178.515 176.519 -0.134 0.000 1.208 249 W CA 1.460 58.522 57.345 -0.471 0.000 1.274 249 W CB -0.221 28.968 29.460 -0.452 0.000 1.138 249 W HN 0.238 nan 8.180 nan 0.000 0.515 250 L N -0.259 120.881 121.223 -0.139 0.000 2.079 250 L HA -0.267 4.073 4.340 -0.000 0.000 0.210 250 L C 2.505 179.234 176.870 -0.235 0.000 1.081 250 L CA 1.545 56.267 54.840 -0.197 0.000 0.752 250 L CB -1.143 40.839 42.059 -0.129 0.000 0.896 250 L HN -0.108 nan 8.230 nan 0.000 0.433 251 F N -0.144 119.703 119.950 -0.171 0.000 2.113 251 F HA -0.175 4.352 4.527 -0.000 0.000 0.297 251 F C 2.341 178.148 175.800 0.012 0.000 1.103 251 F CA 1.200 59.127 58.000 -0.120 0.000 1.248 251 F CB -0.426 38.374 39.000 -0.333 0.000 0.999 251 F HN -0.105 nan 8.300 nan 0.000 0.475 252 L N -1.432 119.860 121.223 0.116 0.000 2.012 252 L HA -0.287 4.053 4.340 -0.000 0.000 0.210 252 L C 2.361 179.098 176.870 -0.222 0.000 1.073 252 L CA 1.514 56.288 54.840 -0.109 0.000 0.748 252 L CB -0.838 41.011 42.059 -0.349 0.000 0.891 252 L HN 0.159 nan 8.230 nan 0.000 0.431 253 Y N 0.350 120.265 120.300 -0.643 0.000 2.070 253 Y HA -0.275 4.275 4.550 -0.000 0.000 0.280 253 Y C 2.464 178.365 175.900 0.002 0.000 1.148 253 Y CA 1.933 59.733 58.100 -0.499 0.000 1.125 253 Y CB -0.493 37.541 38.460 -0.710 0.000 0.975 253 Y HN -0.170 nan 8.280 nan 0.000 0.492 254 V N -0.809 119.142 119.914 0.061 0.000 2.392 254 V HA -0.316 3.804 4.120 -0.000 0.000 0.249 254 V C 2.352 178.545 176.094 0.166 0.000 1.059 254 V CA 2.066 64.481 62.300 0.191 0.000 1.051 254 V CB -0.895 30.980 31.823 0.086 0.000 0.658 254 V HN 0.379 nan 8.190 nan 0.000 0.455 255 S N -0.373 115.392 115.700 0.108 0.000 2.311 255 S HA 0.073 4.543 4.470 -0.000 0.000 0.209 255 S C 1.852 176.435 174.600 -0.028 0.000 1.029 255 S CA 1.267 59.524 58.200 0.095 0.000 0.968 255 S CB -0.187 63.027 63.200 0.023 0.000 0.946 255 S HN 0.416 nan 8.310 nan 0.000 0.450 256 I N 0.055 120.375 120.570 -0.417 0.000 2.163 256 I HA -0.172 3.998 4.170 -0.000 0.000 0.240 256 I C 2.103 178.162 176.117 -0.096 0.000 1.081 256 I CA 1.546 62.518 61.300 -0.547 0.000 1.353 256 I CB -0.455 37.075 38.000 -0.783 0.000 1.054 256 I HN 0.304 nan 8.210 nan 0.000 0.407 257 Y N -1.086 119.162 120.300 -0.087 0.000 2.263 257 Y HA -0.223 4.327 4.550 -0.000 0.000 0.292 257 Y C 2.269 178.200 175.900 0.051 0.000 1.130 257 Y CA 1.245 59.338 58.100 -0.011 0.000 1.179 257 Y CB -0.247 38.115 38.460 -0.163 0.000 0.998 257 Y HN 0.266 nan 8.280 nan 0.000 0.532 258 W N -0.991 120.254 121.300 -0.092 0.000 2.848 258 W HA -0.046 4.614 4.660 -0.000 0.000 0.288 258 W C 2.128 178.707 176.519 0.100 0.000 1.060 258 W CA 0.083 57.385 57.345 -0.072 0.000 1.712 258 W CB -1.394 27.933 29.460 -0.221 0.000 1.155 258 W HN 0.200 nan 8.180 nan 0.000 0.540 259 W N 1.420 122.727 121.300 0.011 0.000 2.388 259 W HA 0.026 4.686 4.660 -0.000 0.000 0.294 259 W C 2.121 178.738 176.519 0.163 0.000 1.212 259 W CA 2.532 59.853 57.345 -0.040 0.000 1.271 259 W CB -0.652 28.786 29.460 -0.036 0.000 1.126 259 W HN -0.015 nan 8.180 nan 0.000 0.535 260 G N 0.305 109.423 108.800 0.531 0.000 2.776 260 G HA2 0.025 3.985 3.960 -0.000 0.000 0.209 260 G HA3 0.025 3.985 3.960 -0.000 0.000 0.209 260 G C 0.483 175.655 174.900 0.453 0.000 1.145 260 G CA 0.495 45.947 45.100 0.586 0.000 0.791 260 G HN 0.252 nan 8.290 nan 0.000 0.530 261 S N 0.000 115.817 115.700 0.195 0.000 2.498 261 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 261 S CA 0.000 58.266 58.200 0.109 0.000 1.107 261 S CB 0.000 63.281 63.200 0.135 0.000 0.593 261 S HN 0.000 nan 8.310 nan 0.000 0.517