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 3g8a_1_B DATA FIRST_RESID 1 DATA SEQUENCE MFXGKHPGGL SERGRALLLE GGKALGLDLK PHLEAFSRLY ALLQEAXXXX DATA SEQUENCE XXXXXXGEEE VVVKHFLDSL TLLRLPLWQG PLRVLDLGTG AGFPGLPLKI DATA SEQUENCE VRPELELVLV DATRKKVAFV ERAIEVLGLK GARALWGRAE VLAREAGHRE DATA SEQUENCE AYARAVARAV APLcVLSELL LPFLEVGGAA VAMKGPRVEE ELAPLPPALE DATA SEQUENCE RLGGRLGEVL ALQLPLSGEA RHLVVLEKTA PTPPAYPRRP GVPERHPLc 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.146 176.300 -0.257 0.000 1.140 1 M CA 0.000 55.041 55.300 -0.431 0.000 0.988 1 M CB 0.000 32.044 32.600 -0.927 0.000 1.302 5 K N 0.726 120.941 120.400 -0.308 0.000 2.221 5 K HA 0.736 5.056 4.320 -0.000 0.000 0.243 5 K C -0.839 175.490 176.600 -0.452 0.000 0.968 5 K CA -0.901 55.199 56.287 -0.312 0.000 0.846 5 K CB 1.901 34.340 32.500 -0.102 0.000 1.141 5 K HN 0.676 nan 8.250 nan 0.000 0.434 6 H N 0.279 119.387 119.070 0.064 0.000 2.600 6 H HA 0.174 4.730 4.556 -0.001 0.000 0.357 6 H C -1.787 173.584 175.328 0.073 0.000 1.106 6 H CA -1.871 54.216 56.048 0.066 0.000 1.193 6 H CB 1.568 31.373 29.762 0.072 0.000 1.594 6 H HN 0.455 nan 8.280 nan 0.000 0.526 7 P HA -0.114 nan 4.420 nan 0.000 0.214 7 P C 0.757 178.129 177.300 0.120 0.000 1.163 7 P CA 1.442 64.612 63.100 0.116 0.000 0.889 7 P CB 0.261 32.014 31.700 0.088 0.000 0.790 8 G N -1.517 107.360 108.800 0.128 0.000 4.951 8 G HA2 0.543 4.503 3.960 -0.000 0.000 0.282 8 G HA3 0.543 4.503 3.960 -0.000 0.000 0.282 8 G C -0.106 174.886 174.900 0.153 0.000 1.301 8 G CA 0.215 45.384 45.100 0.115 0.000 0.975 8 G HN 0.535 nan 8.290 nan 0.000 0.589 9 G N -0.270 108.673 108.800 0.240 0.000 2.561 9 G HA2 0.456 4.416 3.960 -0.000 0.000 0.310 9 G HA3 0.456 4.416 3.960 -0.000 0.000 0.310 9 G C -0.890 174.254 174.900 0.407 0.000 1.292 9 G CA -1.000 44.289 45.100 0.314 0.000 0.811 9 G HN 0.312 nan 8.290 nan 0.000 0.482 10 L N 1.756 123.160 121.223 0.301 0.000 2.485 10 L HA 0.315 4.655 4.340 -0.000 0.000 0.275 10 L C 1.598 178.589 176.870 0.201 0.000 1.207 10 L CA -0.294 54.593 54.840 0.078 0.000 0.855 10 L CB 0.991 43.061 42.059 0.018 0.000 1.114 10 L HN 0.744 nan 8.230 nan 0.000 0.485 11 S N 1.260 117.013 115.700 0.089 0.000 2.606 11 S HA 0.002 4.472 4.470 -0.000 0.000 0.257 11 S C 0.978 175.641 174.600 0.105 0.000 1.327 11 S CA -0.290 57.951 58.200 0.068 0.000 0.984 11 S CB 0.912 64.097 63.200 -0.025 0.000 0.941 11 S HN 0.767 nan 8.310 nan 0.000 0.576 12 E N 0.445 120.671 120.200 0.043 0.000 2.085 12 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 12 E C 2.311 178.977 176.600 0.110 0.000 0.994 12 E CA 1.144 57.634 56.400 0.149 0.000 0.801 12 E CB -0.108 29.676 29.700 0.139 0.000 0.743 12 E HN 0.709 nan 8.360 nan 0.000 0.453 13 R N -0.455 120.067 120.500 0.037 0.000 2.066 13 R HA -0.099 4.241 4.340 -0.000 0.000 0.232 13 R C 2.412 178.614 176.300 -0.162 0.000 1.131 13 R CA 1.440 57.473 56.100 -0.112 0.000 0.955 13 R CB -0.513 29.734 30.300 -0.088 0.000 0.851 13 R HN 0.254 nan 8.270 nan 0.000 0.432 14 G N 0.584 109.317 108.800 -0.112 0.000 2.446 14 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.217 14 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.217 14 G C 1.392 176.238 174.900 -0.091 0.000 1.168 14 G CA 0.799 45.813 45.100 -0.143 0.000 0.771 14 G HN 0.323 nan 8.290 nan 0.000 0.551 15 R N 0.540 121.027 120.500 -0.022 0.000 2.073 15 R HA 0.032 4.372 4.340 -0.000 0.000 0.234 15 R C 3.037 179.328 176.300 -0.016 0.000 1.134 15 R CA 1.242 57.355 56.100 0.021 0.000 0.952 15 R CB -0.433 29.916 30.300 0.083 0.000 0.850 15 R HN 0.349 nan 8.270 nan 0.000 0.433 16 A N 1.165 123.951 122.820 -0.058 0.000 1.933 16 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 16 A C 2.188 179.665 177.584 -0.179 0.000 1.175 16 A CA 1.112 53.077 52.037 -0.119 0.000 0.628 16 A CB -0.504 18.319 19.000 -0.295 0.000 0.814 16 A HN 0.174 nan 8.150 nan 0.000 0.444 17 L N -1.159 119.934 121.223 -0.216 0.000 2.017 17 L HA -0.181 4.158 4.340 -0.000 0.000 0.208 17 L C 2.557 179.356 176.870 -0.118 0.000 1.073 17 L CA 1.215 55.946 54.840 -0.183 0.000 0.745 17 L CB -0.496 41.453 42.059 -0.184 0.000 0.894 17 L HN 0.463 nan 8.230 nan 0.000 0.432 18 L N -0.195 120.973 121.223 -0.092 0.000 2.012 18 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 18 L C 2.332 179.160 176.870 -0.070 0.000 1.073 18 L CA 1.782 56.576 54.840 -0.078 0.000 0.748 18 L CB -0.502 41.526 42.059 -0.051 0.000 0.891 18 L HN 0.104 nan 8.230 nan 0.000 0.431 19 L N -0.864 120.334 121.223 -0.042 0.000 2.017 19 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 19 L C 2.552 179.408 176.870 -0.023 0.000 1.073 19 L CA 1.707 56.538 54.840 -0.016 0.000 0.745 19 L CB -0.634 41.430 42.059 0.009 0.000 0.894 19 L HN 0.374 nan 8.230 nan 0.000 0.432 20 E N -0.086 120.090 120.200 -0.040 0.000 2.077 20 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 20 E C 2.187 178.762 176.600 -0.041 0.000 0.989 20 E CA 1.051 57.428 56.400 -0.038 0.000 0.800 20 E CB -0.273 29.390 29.700 -0.062 0.000 0.746 20 E HN 0.544 nan 8.360 nan 0.000 0.452 21 G N 0.593 109.358 108.800 -0.058 0.000 2.418 21 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 21 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 21 G C 1.553 176.426 174.900 -0.045 0.000 1.158 21 G CA 0.784 45.850 45.100 -0.057 0.000 0.771 21 G HN 0.389 nan 8.290 nan 0.000 0.545 22 G N 0.661 109.433 108.800 -0.047 0.000 2.446 22 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.217 22 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.217 22 G C 1.800 176.695 174.900 -0.008 0.000 1.168 22 G CA 1.202 46.284 45.100 -0.030 0.000 0.771 22 G HN 0.469 nan 8.290 nan 0.000 0.551 23 K N 0.399 120.796 120.400 -0.005 0.000 2.057 23 K HA 0.022 4.342 4.320 -0.000 0.000 0.207 23 K C 2.924 179.524 176.600 0.001 0.000 1.049 23 K CA 0.951 57.240 56.287 0.004 0.000 0.931 23 K CB -0.230 32.273 32.500 0.006 0.000 0.714 23 K HN 0.269 nan 8.250 nan 0.000 0.440 24 A N 0.926 123.741 122.820 -0.008 0.000 1.978 24 A HA -0.133 4.187 4.320 -0.000 0.000 0.220 24 A C 1.892 179.473 177.584 -0.005 0.000 1.170 24 A CA 1.280 53.311 52.037 -0.010 0.000 0.636 24 A CB -0.446 18.542 19.000 -0.020 0.000 0.810 24 A HN 0.212 nan 8.150 nan 0.000 0.448 25 L N -1.613 119.608 121.223 -0.004 0.000 2.558 25 L HA 0.192 4.532 4.340 -0.000 0.000 0.225 25 L C 1.597 178.477 176.870 0.016 0.000 1.128 25 L CA 0.552 55.394 54.840 0.004 0.000 0.868 25 L CB -0.087 41.972 42.059 -0.000 0.000 1.006 25 L HN 0.583 nan 8.230 nan 0.000 0.454 26 G N 0.484 109.294 108.800 0.017 0.000 2.130 26 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 26 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 26 G C -0.106 174.813 174.900 0.033 0.000 0.999 26 G CA -0.315 44.800 45.100 0.025 0.000 0.686 26 G HN 0.193 nan 8.290 nan 0.000 0.515 27 L N 0.328 121.570 121.223 0.032 0.000 2.346 27 L HA 0.616 4.956 4.340 -0.000 0.000 0.274 27 L C -0.569 176.331 176.870 0.050 0.000 1.007 27 L CA -1.100 53.768 54.840 0.046 0.000 0.818 27 L CB 1.909 43.994 42.059 0.044 0.000 1.284 27 L HN 0.123 nan 8.230 nan 0.000 0.424 28 D N 2.776 123.217 120.400 0.068 0.000 2.412 28 D HA 0.279 4.919 4.640 -0.000 0.000 0.224 28 D C 0.309 176.674 176.300 0.107 0.000 1.093 28 D CA -0.166 53.873 54.000 0.065 0.000 0.850 28 D CB 1.079 41.907 40.800 0.047 0.000 1.046 28 D HN 0.405 nan 8.370 nan 0.000 0.507 29 L N 3.415 124.700 121.223 0.103 0.000 2.592 29 L HA 0.148 4.488 4.340 -0.000 0.000 0.227 29 L C 2.064 179.013 176.870 0.133 0.000 1.127 29 L CA -0.102 54.844 54.840 0.178 0.000 0.884 29 L CB 0.031 42.157 42.059 0.111 0.000 1.065 29 L HN 0.321 nan 8.230 nan 0.000 0.457 30 K N 0.929 121.361 120.400 0.054 0.000 2.063 30 K HA -0.149 4.171 4.320 -0.000 0.000 0.208 30 K C -0.529 176.044 176.600 -0.045 0.000 1.048 30 K CA 1.316 57.613 56.287 0.017 0.000 0.928 30 K CB -0.972 31.531 32.500 0.005 0.000 0.713 30 K HN 0.276 nan 8.250 nan 0.000 0.442 31 P HA -0.099 nan 4.420 nan 0.000 0.234 31 P C 0.271 177.318 177.300 -0.422 0.000 1.167 31 P CA 1.130 64.034 63.100 -0.325 0.000 0.763 31 P CB 0.131 31.543 31.700 -0.480 0.000 0.835 32 H N -2.648 116.459 119.070 0.061 0.000 2.893 32 H HA 0.221 4.777 4.556 -0.000 0.000 0.270 32 H C 1.489 176.899 175.328 0.137 0.000 1.095 32 H CA -0.398 55.685 56.048 0.059 0.000 1.186 32 H CB 0.084 29.916 29.762 0.118 0.000 1.562 32 H HN 0.029 nan 8.280 nan 0.000 0.536 33 L N 1.564 122.911 121.223 0.208 0.000 2.083 33 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 33 L C 2.078 179.037 176.870 0.149 0.000 1.083 33 L CA 1.671 56.632 54.840 0.202 0.000 0.752 33 L CB -0.075 42.052 42.059 0.113 0.000 0.899 33 L HN 0.050 nan 8.230 nan 0.000 0.433 34 E N -0.434 119.809 120.200 0.072 0.000 2.072 34 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 34 E C 2.265 178.876 176.600 0.019 0.000 0.985 34 E CA 1.263 57.686 56.400 0.039 0.000 0.801 34 E CB -0.645 29.057 29.700 0.004 0.000 0.750 34 E HN 0.534 nan 8.360 nan 0.000 0.452 35 A N 0.579 123.376 122.820 -0.038 0.000 1.902 35 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 35 A C 2.073 179.530 177.584 -0.211 0.000 1.181 35 A CA 1.192 53.133 52.037 -0.160 0.000 0.623 35 A CB -0.815 18.021 19.000 -0.273 0.000 0.818 35 A HN 0.161 nan 8.150 nan 0.000 0.443 36 F N 0.045 119.941 119.950 -0.090 0.000 2.186 36 F HA -0.107 4.420 4.527 -0.000 0.000 0.299 36 F C 2.955 178.800 175.800 0.075 0.000 1.090 36 F CA 1.374 59.252 58.000 -0.203 0.000 1.307 36 F CB -0.614 38.207 39.000 -0.297 0.000 1.019 36 F HN 0.254 nan 8.300 nan 0.000 0.489 37 S N -0.275 115.596 115.700 0.285 0.000 2.356 37 S HA -0.235 4.234 4.470 -0.000 0.000 0.223 37 S C 2.327 177.104 174.600 0.294 0.000 1.032 37 S CA 1.343 59.722 58.200 0.298 0.000 1.005 37 S CB -0.188 63.123 63.200 0.186 0.000 0.867 37 S HN 0.203 nan 8.310 nan 0.000 0.449 38 R N 0.716 121.314 120.500 0.163 0.000 2.096 38 R HA 0.048 4.388 4.340 -0.000 0.000 0.235 38 R C 2.142 178.521 176.300 0.131 0.000 1.127 38 R CA 1.404 57.567 56.100 0.106 0.000 0.968 38 R CB -0.991 29.322 30.300 0.021 0.000 0.861 38 R HN 0.477 nan 8.270 nan 0.000 0.440 39 L N -0.318 120.998 121.223 0.156 0.000 2.093 39 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 39 L C 1.922 179.063 176.870 0.451 0.000 1.085 39 L CA 1.731 56.706 54.840 0.224 0.000 0.755 39 L CB -0.931 41.209 42.059 0.135 0.000 0.904 39 L HN 0.324 nan 8.230 nan 0.000 0.435 40 Y N 0.482 121.067 120.300 0.475 0.000 2.165 40 Y HA -0.239 4.311 4.550 0.001 0.000 0.286 40 Y C 2.353 178.397 175.900 0.240 0.000 1.155 40 Y CA 1.865 60.209 58.100 0.408 0.000 1.164 40 Y CB -0.725 37.957 38.460 0.371 0.000 0.978 40 Y HN 0.233 nan 8.280 nan 0.000 0.513 41 A N 0.397 123.269 122.820 0.086 0.000 1.933 41 A HA -0.151 4.168 4.320 -0.000 0.000 0.218 41 A C 2.337 179.900 177.584 -0.035 0.000 1.175 41 A CA 1.822 53.826 52.037 -0.055 0.000 0.628 41 A CB -1.137 17.904 19.000 0.067 0.000 0.814 41 A HN 0.575 nan 8.150 nan 0.000 0.444 42 L N -0.841 120.420 121.223 0.063 0.000 2.056 42 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 42 L C 2.552 179.590 176.870 0.280 0.000 1.078 42 L CA 0.970 55.878 54.840 0.113 0.000 0.749 42 L CB -0.462 41.612 42.059 0.025 0.000 0.901 42 L HN 0.377 nan 8.230 nan 0.000 0.433 43 L N -1.000 120.385 121.223 0.270 0.000 2.056 43 L HA -0.226 4.114 4.340 -0.000 0.000 0.207 43 L C 2.644 179.486 176.870 -0.047 0.000 1.078 43 L CA 1.012 55.938 54.840 0.143 0.000 0.749 43 L CB -0.358 41.768 42.059 0.112 0.000 0.901 43 L HN 0.230 nan 8.230 nan 0.000 0.433 44 Q N -0.084 119.597 119.800 -0.198 0.000 2.119 44 Q HA -0.215 4.125 4.340 -0.000 0.000 0.201 44 Q C 2.044 177.979 176.000 -0.109 0.000 0.972 44 Q CA 1.501 57.162 55.803 -0.237 0.000 0.847 44 Q CB -0.112 28.345 28.738 -0.469 0.000 0.903 44 Q HN 0.452 nan 8.270 nan 0.000 0.433 45 E N -0.085 120.079 120.200 -0.060 0.000 2.038 45 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 45 E C 0.566 177.174 176.600 0.013 0.000 1.000 45 E CA 0.875 57.268 56.400 -0.011 0.000 0.803 45 E CB -0.251 29.457 29.700 0.013 0.000 0.750 45 E HN 0.265 nan 8.360 nan 0.000 0.448 58 E N 0.896 121.097 120.200 0.002 0.000 2.072 58 E HA -0.048 4.302 4.350 -0.000 0.000 0.191 58 E C 1.947 178.573 176.600 0.043 0.000 0.985 58 E CA 1.182 57.594 56.400 0.021 0.000 0.801 58 E CB 0.040 29.765 29.700 0.042 0.000 0.750 58 E HN 0.593 nan 8.360 nan 0.000 0.452 59 E N 1.583 121.807 120.200 0.040 0.000 2.051 59 E HA -0.267 4.083 4.350 -0.000 0.000 0.192 59 E C 2.149 178.650 176.600 -0.164 0.000 0.991 59 E CA 1.230 57.583 56.400 -0.079 0.000 0.799 59 E CB 0.044 29.638 29.700 -0.177 0.000 0.748 59 E HN 0.239 nan 8.360 nan 0.000 0.449 60 E N -0.096 120.032 120.200 -0.120 0.000 2.085 60 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 60 E C 2.103 178.631 176.600 -0.121 0.000 0.994 60 E CA 1.418 57.743 56.400 -0.126 0.000 0.801 60 E CB 0.086 29.728 29.700 -0.097 0.000 0.743 60 E HN 0.197 nan 8.360 nan 0.000 0.453 61 V N 0.436 120.300 119.914 -0.084 0.000 2.287 61 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 61 V C 2.407 178.471 176.094 -0.049 0.000 1.053 61 V CA 1.566 63.834 62.300 -0.053 0.000 1.027 61 V CB -0.281 31.530 31.823 -0.020 0.000 0.646 61 V HN 0.229 nan 8.190 nan 0.000 0.447 62 V N -0.495 119.331 119.914 -0.147 0.000 2.307 62 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 62 V C 2.416 178.141 176.094 -0.614 0.000 1.045 62 V CA 1.813 63.897 62.300 -0.361 0.000 1.024 62 V CB -0.398 31.273 31.823 -0.253 0.000 0.651 62 V HN 0.405 nan 8.190 nan 0.000 0.449 63 V N -0.168 119.479 119.914 -0.446 0.000 2.332 63 V HA -0.321 3.799 4.120 -0.000 0.000 0.248 63 V C 2.432 178.410 176.094 -0.192 0.000 1.055 63 V CA 2.132 64.245 62.300 -0.313 0.000 1.038 63 V CB -0.751 30.963 31.823 -0.182 0.000 0.651 63 V HN 0.543 nan 8.190 nan 0.000 0.450 64 K N -1.266 119.027 120.400 -0.178 0.000 2.147 64 K HA -0.155 4.164 4.320 -0.000 0.000 0.205 64 K C 2.151 178.640 176.600 -0.185 0.000 1.049 64 K CA 1.243 57.435 56.287 -0.159 0.000 0.936 64 K CB -0.245 32.156 32.500 -0.166 0.000 0.722 64 K HN 0.605 nan 8.250 nan 0.000 0.446 65 H N -0.572 118.330 119.070 -0.281 0.000 2.357 65 H HA -0.081 4.475 4.556 -0.000 0.000 0.301 65 H C 2.037 177.329 175.328 -0.060 0.000 1.082 65 H CA 1.284 57.145 56.048 -0.313 0.000 1.342 65 H CB 0.014 29.372 29.762 -0.673 0.000 1.389 65 H HN 0.104 nan 8.280 nan 0.000 0.511 66 F N 1.144 121.125 119.950 0.051 0.000 2.065 66 F HA -0.204 4.322 4.527 -0.001 0.000 0.298 66 F C 2.714 178.486 175.800 -0.047 0.000 1.112 66 F CA 0.864 58.905 58.000 0.068 0.000 1.212 66 F CB -1.184 37.729 39.000 -0.145 0.000 0.975 66 F HN 0.044 nan 8.300 nan 0.000 0.476 67 L N -0.606 120.670 121.223 0.088 0.000 2.056 67 L HA -0.199 4.141 4.340 -0.000 0.000 0.207 67 L C 2.191 179.058 176.870 -0.006 0.000 1.078 67 L CA 1.551 56.387 54.840 -0.006 0.000 0.749 67 L CB -0.703 41.326 42.059 -0.049 0.000 0.901 67 L HN 0.070 nan 8.230 nan 0.000 0.433 68 D N -0.199 120.185 120.400 -0.027 0.000 2.123 68 D HA -0.176 4.464 4.640 -0.000 0.000 0.196 68 D C 2.217 178.530 176.300 0.020 0.000 0.992 68 D CA 1.549 55.525 54.000 -0.040 0.000 0.833 68 D CB 0.147 40.873 40.800 -0.122 0.000 0.954 68 D HN 0.097 nan 8.370 nan 0.000 0.455 69 S N -0.553 115.202 115.700 0.092 0.000 2.382 69 S HA -0.076 4.394 4.470 -0.000 0.000 0.228 69 S C 2.001 176.630 174.600 0.048 0.000 1.027 69 S CA 0.548 58.825 58.200 0.127 0.000 0.991 69 S CB -0.237 63.138 63.200 0.292 0.000 0.823 69 S HN 0.339 nan 8.310 nan 0.000 0.469 70 L N 1.792 123.039 121.223 0.041 0.000 2.465 70 L HA -0.040 4.299 4.340 -0.000 0.000 0.224 70 L C 2.643 179.509 176.870 -0.006 0.000 1.145 70 L CA 1.138 55.975 54.840 -0.005 0.000 0.834 70 L CB -1.066 40.985 42.059 -0.014 0.000 0.944 70 L HN 0.469 nan 8.230 nan 0.000 0.451 71 T N -2.601 111.958 114.554 0.009 0.000 2.977 71 T HA -0.167 4.183 4.350 -0.000 0.000 0.271 71 T C 1.763 176.500 174.700 0.061 0.000 1.105 71 T CA 0.725 62.840 62.100 0.024 0.000 1.116 71 T CB -0.404 68.473 68.868 0.015 0.000 0.878 71 T HN 0.287 nan 8.240 nan 0.000 0.509 72 L N -0.383 120.867 121.223 0.045 0.000 2.187 72 L HA -0.033 4.307 4.340 -0.000 0.000 0.213 72 L C 2.154 179.180 176.870 0.260 0.000 1.100 72 L CA 0.886 55.800 54.840 0.124 0.000 0.765 72 L CB -0.561 41.432 42.059 -0.110 0.000 0.904 72 L HN 0.302 nan 8.230 nan 0.000 0.437 73 L N -0.761 120.524 121.223 0.103 0.000 2.610 73 L HA -0.040 4.300 4.340 -0.000 0.000 0.232 73 L C 2.168 179.149 176.870 0.184 0.000 1.149 73 L CA 0.768 55.715 54.840 0.180 0.000 0.872 73 L CB -0.507 41.592 42.059 0.067 0.000 0.992 73 L HN 0.082 nan 8.230 nan 0.000 0.447 74 R N -0.211 120.377 120.500 0.147 0.000 2.323 74 R HA 0.199 4.539 4.340 -0.000 0.000 0.198 74 R C 0.042 176.412 176.300 0.117 0.000 0.988 74 R CA 0.311 56.475 56.100 0.106 0.000 1.041 74 R CB -0.462 29.880 30.300 0.069 0.000 0.926 74 R HN 0.284 nan 8.270 nan 0.000 0.476 75 L N 2.366 123.698 121.223 0.182 0.000 2.341 75 L HA 0.349 4.689 4.340 -0.000 0.000 0.278 75 L C -1.974 174.948 176.870 0.087 0.000 1.005 75 L CA -2.015 52.895 54.840 0.117 0.000 0.818 75 L CB 2.640 44.765 42.059 0.110 0.000 1.259 75 L HN -0.255 nan 8.230 nan 0.000 0.418 76 P HA 0.134 nan 4.420 nan 0.000 0.220 76 P C 0.399 177.602 177.300 -0.161 0.000 1.778 76 P CA 0.084 63.176 63.100 -0.012 0.000 0.912 76 P CB 0.068 31.766 31.700 -0.003 0.000 1.861 77 L N -2.076 118.868 121.223 -0.466 0.000 2.607 77 L HA 0.230 4.570 4.340 -0.000 0.000 0.228 77 L C 0.586 176.978 176.870 -0.797 0.000 1.123 77 L CA 0.291 54.632 54.840 -0.832 0.000 0.890 77 L CB -0.093 41.147 42.059 -1.365 0.000 1.103 77 L HN 0.163 nan 8.230 nan 0.000 0.468 78 W N -0.786 120.530 121.300 0.025 0.000 2.357 78 W HA 0.304 4.964 4.660 -0.000 0.000 0.386 78 W C 0.434 176.967 176.519 0.022 0.000 0.889 78 W CA -0.678 56.682 57.345 0.025 0.000 2.425 78 W CB 0.386 29.860 29.460 0.023 0.000 1.244 78 W HN -0.135 nan 8.180 nan 0.000 0.646 79 Q N 1.158 121.035 119.800 0.129 0.000 2.288 79 Q HA 0.518 4.857 4.340 -0.000 0.000 0.254 79 Q C 0.824 176.873 176.000 0.082 0.000 0.932 79 Q CA 0.761 56.620 55.803 0.093 0.000 0.902 79 Q CB 1.136 29.903 28.738 0.047 0.000 1.203 79 Q HN 0.407 nan 8.270 nan 0.000 0.415 80 G N 4.152 112.998 108.800 0.077 0.000 2.725 80 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.220 80 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.220 80 G C -2.335 172.606 174.900 0.068 0.000 1.357 80 G CA -0.540 44.595 45.100 0.059 0.000 0.866 80 G HN 0.584 nan 8.290 nan 0.000 0.548 81 P HA 0.338 nan 4.420 nan 0.000 0.218 81 P C 0.429 177.765 177.300 0.061 0.000 1.793 81 P CA -0.258 62.874 63.100 0.052 0.000 0.941 81 P CB -0.410 31.310 31.700 0.034 0.000 1.919 82 L N 0.519 121.794 121.223 0.088 0.000 2.426 82 L HA 0.230 4.570 4.340 -0.000 0.000 0.271 82 L C 1.368 178.312 176.870 0.123 0.000 1.169 82 L CA -0.318 54.583 54.840 0.101 0.000 0.836 82 L CB 0.424 42.560 42.059 0.128 0.000 1.112 82 L HN 0.088 nan 8.230 nan 0.000 0.465 83 R N 2.093 122.663 120.500 0.117 0.000 2.267 83 R HA 0.459 4.798 4.340 -0.000 0.000 0.319 83 R C -1.306 175.182 176.300 0.314 0.000 1.067 83 R CA -0.344 55.852 56.100 0.159 0.000 0.936 83 R CB 0.715 31.032 30.300 0.028 0.000 1.006 83 R HN 0.429 nan 8.270 nan 0.000 0.452 84 V N 6.180 126.295 119.914 0.335 0.000 2.540 84 V HA 0.336 4.456 4.120 -0.000 0.000 0.302 84 V C -0.836 175.349 176.094 0.152 0.000 1.035 84 V CA -0.987 61.485 62.300 0.287 0.000 0.873 84 V CB 1.718 33.688 31.823 0.246 0.000 0.992 84 V HN 0.595 nan 8.190 nan 0.000 0.428 85 L N 3.771 124.918 121.223 -0.127 0.000 2.280 85 L HA 0.648 4.988 4.340 -0.000 0.000 0.287 85 L C -0.511 176.207 176.870 -0.252 0.000 1.023 85 L CA 0.097 54.662 54.840 -0.458 0.000 0.819 85 L CB 1.361 42.716 42.059 -1.173 0.000 1.212 85 L HN 0.691 nan 8.230 nan 0.000 0.420 86 D N 4.752 125.043 120.400 -0.181 0.000 2.396 86 D HA 0.232 4.872 4.640 -0.000 0.000 0.225 86 D C -1.101 175.110 176.300 -0.149 0.000 1.121 86 D CA -0.187 53.743 54.000 -0.117 0.000 0.853 86 D CB 0.923 41.680 40.800 -0.072 0.000 1.043 86 D HN 0.474 nan 8.370 nan 0.000 0.500 87 L N 3.770 124.908 121.223 -0.143 0.000 2.264 87 L HA 0.547 4.887 4.340 -0.000 0.000 0.289 87 L C 0.975 177.818 176.870 -0.046 0.000 1.044 87 L CA 0.343 55.097 54.840 -0.143 0.000 0.807 87 L CB 1.126 43.089 42.059 -0.160 0.000 1.192 87 L HN 0.644 nan 8.230 nan 0.000 0.425 88 G N 2.562 111.347 108.800 -0.025 0.000 2.289 88 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.280 88 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.280 88 G C 0.732 175.652 174.900 0.032 0.000 1.089 88 G CA 0.537 45.648 45.100 0.017 0.000 0.939 88 G HN 0.830 nan 8.290 nan 0.000 0.499 89 T N -0.806 113.763 114.554 0.024 0.000 3.007 89 T HA 0.323 4.672 4.350 -0.000 0.000 0.270 89 T C 2.560 177.308 174.700 0.079 0.000 1.107 89 T CA 2.511 64.634 62.100 0.040 0.000 1.118 89 T CB -0.534 68.337 68.868 0.005 0.000 0.889 89 T HN 2.380 nan 8.240 nan 0.000 0.506 90 G N 0.822 109.661 108.800 0.065 0.000 2.602 90 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.310 90 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.310 90 G C 1.049 175.979 174.900 0.050 0.000 1.183 90 G CA 0.335 45.471 45.100 0.060 0.000 0.979 90 G HN 1.165 nan 8.290 nan 0.000 0.545 91 A N 0.675 123.536 122.820 0.068 0.000 2.337 91 A HA 0.614 4.934 4.320 -0.000 0.000 0.227 91 A C 1.918 179.538 177.584 0.061 0.000 1.259 91 A CA 1.590 53.618 52.037 -0.014 0.000 0.870 91 A CB -0.677 18.169 19.000 -0.258 0.000 0.927 91 A HN 2.843 nan 8.150 nan 0.000 0.497 92 G N -1.301 107.487 108.800 -0.019 0.000 2.237 92 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.153 92 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.153 92 G C -0.474 174.102 174.900 -0.540 0.000 1.039 92 G CA -0.448 44.510 45.100 -0.236 0.000 0.719 92 G HN 0.295 nan 8.290 nan 0.000 0.491 93 F N -0.224 119.775 119.950 0.081 0.000 2.547 93 F HA 0.575 5.102 4.527 -0.000 0.000 0.316 93 F C -1.426 174.408 175.800 0.057 0.000 1.121 93 F CA -2.328 55.729 58.000 0.095 0.000 0.911 93 F CB 2.539 41.627 39.000 0.146 0.000 1.179 93 F HN -0.101 nan 8.300 nan 0.000 0.443 94 P HA 0.103 nan 4.420 nan 0.000 0.255 94 P C 1.309 178.614 177.300 0.009 0.000 1.248 94 P CA 0.482 63.683 63.100 0.168 0.000 0.807 94 P CB 0.347 32.096 31.700 0.082 0.000 1.150 95 G N 1.170 109.939 108.800 -0.052 0.000 2.440 95 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.218 95 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.218 95 G C 1.504 176.313 174.900 -0.152 0.000 1.154 95 G CA 0.500 45.532 45.100 -0.113 0.000 0.767 95 G HN 0.224 nan 8.290 nan 0.000 0.552 96 L N 0.752 121.851 121.223 -0.206 0.000 2.027 96 L HA -0.028 4.312 4.340 -0.000 0.000 0.206 96 L C 0.104 176.848 176.870 -0.211 0.000 1.074 96 L CA 1.088 55.785 54.840 -0.239 0.000 0.745 96 L CB -1.132 40.732 42.059 -0.325 0.000 0.898 96 L HN 0.183 nan 8.230 nan 0.000 0.433 97 P HA -0.186 nan 4.420 nan 0.000 0.217 97 P C 1.719 178.993 177.300 -0.043 0.000 1.150 97 P CA 1.057 64.204 63.100 0.078 0.000 0.832 97 P CB 0.069 31.976 31.700 0.344 0.000 0.787 98 L N 0.253 121.403 121.223 -0.121 0.000 2.017 98 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 98 L C 2.278 179.016 176.870 -0.220 0.000 1.073 98 L CA 2.121 56.819 54.840 -0.237 0.000 0.745 98 L CB -1.181 40.657 42.059 -0.370 0.000 0.894 98 L HN -0.234 nan 8.230 nan 0.000 0.432 99 K N 0.103 120.386 120.400 -0.194 0.000 2.057 99 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 99 K C 1.961 178.440 176.600 -0.203 0.000 1.049 99 K CA 2.009 58.196 56.287 -0.166 0.000 0.931 99 K CB -0.611 31.802 32.500 -0.146 0.000 0.714 99 K HN 0.475 nan 8.250 nan 0.000 0.440 100 I N -0.188 120.210 120.570 -0.286 0.000 2.208 100 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 100 I C 1.873 177.695 176.117 -0.491 0.000 1.097 100 I CA 1.151 62.208 61.300 -0.405 0.000 1.363 100 I CB -0.074 37.519 38.000 -0.677 0.000 1.051 100 I HN -0.027 nan 8.210 nan 0.000 0.413 101 V N -0.142 119.518 119.914 -0.422 0.000 3.174 101 V HA 0.067 4.187 4.120 -0.000 0.000 0.254 101 V C 0.855 176.838 176.094 -0.185 0.000 1.120 101 V CA 0.767 62.803 62.300 -0.440 0.000 1.114 101 V CB -0.329 31.352 31.823 -0.236 0.000 0.756 101 V HN 0.256 nan 8.190 nan 0.000 0.467 102 R N 0.496 120.912 120.500 -0.140 0.000 2.564 102 R HA 0.290 4.629 4.340 -0.000 0.000 0.282 102 R C -2.213 174.064 176.300 -0.038 0.000 1.573 102 R CA -1.817 54.254 56.100 -0.048 0.000 1.588 102 R CB 0.743 31.032 30.300 -0.018 0.000 1.154 102 R HN 0.253 nan 8.270 nan 0.000 0.606 103 P HA -0.077 nan 4.420 nan 0.000 0.225 103 P C 0.550 177.849 177.300 -0.000 0.000 1.148 103 P CA 0.977 64.064 63.100 -0.022 0.000 0.779 103 P CB 0.440 32.140 31.700 -0.001 0.000 0.780 104 E N -0.633 119.579 120.200 0.021 0.000 2.358 104 E HA 0.014 4.364 4.350 -0.000 0.000 0.195 104 E C 0.490 177.116 176.600 0.043 0.000 1.010 104 E CA -0.076 56.344 56.400 0.032 0.000 0.856 104 E CB -0.232 29.494 29.700 0.043 0.000 0.795 104 E HN 0.303 nan 8.360 nan 0.000 0.504 105 L N 2.567 123.821 121.223 0.050 0.000 2.499 105 L HA 0.010 4.350 4.340 -0.000 0.000 0.273 105 L C 0.582 177.485 176.870 0.054 0.000 1.195 105 L CA 0.112 54.997 54.840 0.075 0.000 0.882 105 L CB 0.276 42.386 42.059 0.085 0.000 1.133 105 L HN -0.051 nan 8.230 nan 0.000 0.483 106 E N 5.091 125.335 120.200 0.073 0.000 1.996 106 E HA 0.282 4.632 4.350 -0.000 0.000 0.280 106 E C -0.472 176.186 176.600 0.097 0.000 1.092 106 E CA -0.112 56.328 56.400 0.066 0.000 0.862 106 E CB 1.131 30.867 29.700 0.060 0.000 1.066 106 E HN 0.450 nan 8.360 nan 0.000 0.396 107 L N 2.929 124.191 121.223 0.065 0.000 2.307 107 L HA 0.344 4.684 4.340 -0.000 0.000 0.282 107 L C -0.380 176.536 176.870 0.077 0.000 1.051 107 L CA -0.821 54.056 54.840 0.063 0.000 0.804 107 L CB 1.462 43.521 42.059 -0.000 0.000 1.197 107 L HN 0.127 nan 8.230 nan 0.000 0.431 108 V N 5.292 125.264 119.914 0.097 0.000 2.407 108 V HA 0.352 4.472 4.120 -0.000 0.000 0.291 108 V C -0.403 175.673 176.094 -0.029 0.000 1.018 108 V CA -0.543 61.803 62.300 0.078 0.000 0.842 108 V CB 1.764 33.708 31.823 0.203 0.000 0.996 108 V HN 0.437 nan 8.190 nan 0.000 0.426 109 L N 6.202 127.408 121.223 -0.027 0.000 2.280 109 L HA 0.606 4.946 4.340 -0.000 0.000 0.287 109 L C -0.164 176.682 176.870 -0.041 0.000 1.023 109 L CA -0.175 54.634 54.840 -0.052 0.000 0.819 109 L CB 1.601 43.636 42.059 -0.039 0.000 1.212 109 L HN 0.342 nan 8.230 nan 0.000 0.420 110 V N 2.383 122.251 119.914 -0.076 0.000 2.483 110 V HA 0.557 4.677 4.120 -0.000 0.000 0.295 110 V C -0.491 175.605 176.094 0.004 0.000 1.035 110 V CA -0.452 61.818 62.300 -0.051 0.000 0.896 110 V CB 1.845 33.581 31.823 -0.146 0.000 0.986 110 V HN 0.749 nan 8.190 nan 0.000 0.447 111 D N 2.310 122.756 120.400 0.075 0.000 2.661 111 D HA 0.514 5.154 4.640 -0.000 0.000 0.228 111 D C 0.266 176.699 176.300 0.223 0.000 1.210 111 D CA -0.245 53.821 54.000 0.109 0.000 0.826 111 D CB 2.846 43.698 40.800 0.087 0.000 1.542 111 D HN 0.505 nan 8.370 nan 0.000 0.447 112 A N 1.527 124.465 122.820 0.196 0.000 2.218 112 A HA 0.161 4.481 4.320 -0.000 0.000 0.209 112 A C 0.738 178.575 177.584 0.422 0.000 1.168 112 A CA 0.619 52.811 52.037 0.258 0.000 0.804 112 A CB 0.147 19.227 19.000 0.134 0.000 0.834 112 A HN 0.372 nan 8.150 nan 0.000 0.482 113 T N -0.130 114.586 114.554 0.269 0.000 2.756 113 T HA 0.310 4.660 4.350 -0.000 0.000 0.290 113 T C 1.090 175.729 174.700 -0.103 0.000 0.985 113 T CA -0.434 61.751 62.100 0.143 0.000 0.955 113 T CB 1.578 70.482 68.868 0.059 0.000 0.930 113 T HN 0.371 nan 8.240 nan 0.000 0.451 114 R N 3.871 124.122 120.500 -0.417 0.000 2.096 114 R HA -0.084 4.256 4.340 -0.000 0.000 0.240 114 R C 2.095 178.116 176.300 -0.465 0.000 1.139 114 R CA 1.843 57.335 56.100 -1.012 0.000 0.952 114 R CB -0.256 29.292 30.300 -1.254 0.000 0.854 114 R HN 0.569 nan 8.270 nan 0.000 0.436 115 K N -0.217 120.027 120.400 -0.260 0.000 2.103 115 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 115 K C 1.609 178.173 176.600 -0.059 0.000 1.048 115 K CA 1.538 57.745 56.287 -0.134 0.000 0.930 115 K CB 0.034 32.483 32.500 -0.085 0.000 0.716 115 K HN -0.003 nan 8.250 nan 0.000 0.444 116 K N 0.359 120.726 120.400 -0.055 0.000 2.025 116 K HA -0.068 4.252 4.320 -0.000 0.000 0.207 116 K C 2.104 178.729 176.600 0.042 0.000 1.049 116 K CA 0.956 57.248 56.287 0.008 0.000 0.933 116 K CB -0.583 31.920 32.500 0.005 0.000 0.714 116 K HN 0.030 nan 8.250 nan 0.000 0.438 117 V N 1.722 121.617 119.914 -0.033 0.000 2.332 117 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 117 V C 2.444 178.522 176.094 -0.026 0.000 1.055 117 V CA 2.048 64.334 62.300 -0.023 0.000 1.038 117 V CB -0.891 30.901 31.823 -0.052 0.000 0.651 117 V HN 0.286 nan 8.190 nan 0.000 0.450 118 A N -0.632 122.147 122.820 -0.068 0.000 1.933 118 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 118 A C 2.110 179.687 177.584 -0.011 0.000 1.175 118 A CA 1.960 53.962 52.037 -0.058 0.000 0.628 118 A CB -0.698 18.250 19.000 -0.086 0.000 0.814 118 A HN 0.541 nan 8.150 nan 0.000 0.444 119 F N 0.754 120.656 119.950 -0.079 0.000 2.102 119 F HA -0.171 4.356 4.527 -0.000 0.000 0.298 119 F C 2.218 177.980 175.800 -0.062 0.000 1.105 119 F CA 2.111 60.074 58.000 -0.060 0.000 1.239 119 F CB -0.253 38.720 39.000 -0.046 0.000 0.991 119 F HN 0.032 nan 8.300 nan 0.000 0.474 120 V N 0.610 120.584 119.914 0.100 0.000 2.343 120 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 120 V C 2.214 178.232 176.094 -0.127 0.000 1.051 120 V CA 2.272 64.563 62.300 -0.016 0.000 1.036 120 V CB -0.813 31.031 31.823 0.035 0.000 0.654 120 V HN 0.368 nan 8.190 nan 0.000 0.451 121 E N 0.079 120.222 120.200 -0.095 0.000 2.058 121 E HA -0.304 4.046 4.350 -0.000 0.000 0.194 121 E C 2.396 178.910 176.600 -0.145 0.000 0.997 121 E CA 1.644 57.987 56.400 -0.095 0.000 0.801 121 E CB -0.229 29.431 29.700 -0.066 0.000 0.746 121 E HN 0.384 nan 8.360 nan 0.000 0.450 122 R N 1.081 121.458 120.500 -0.204 0.000 2.092 122 R HA -0.070 4.270 4.340 -0.000 0.000 0.231 122 R C 1.990 178.116 176.300 -0.291 0.000 1.119 122 R CA 1.553 57.511 56.100 -0.236 0.000 0.970 122 R CB -0.551 29.590 30.300 -0.265 0.000 0.864 122 R HN 0.148 nan 8.270 nan 0.000 0.440 123 A N 0.564 123.137 122.820 -0.412 0.000 1.902 123 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 123 A C 2.283 179.734 177.584 -0.222 0.000 1.181 123 A CA 1.637 53.457 52.037 -0.362 0.000 0.623 123 A CB -0.612 18.143 19.000 -0.408 0.000 0.818 123 A HN 0.376 nan 8.150 nan 0.000 0.443 124 I N -0.620 119.839 120.570 -0.185 0.000 2.163 124 I HA -0.295 3.875 4.170 -0.000 0.000 0.243 124 I C 2.623 178.670 176.117 -0.116 0.000 1.085 124 I CA 1.971 63.190 61.300 -0.135 0.000 1.347 124 I CB -0.266 37.673 38.000 -0.103 0.000 1.044 124 I HN 0.557 nan 8.210 nan 0.000 0.408 125 E N 0.638 120.769 120.200 -0.115 0.000 2.031 125 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 125 E C 2.332 178.875 176.600 -0.095 0.000 0.994 125 E CA 1.592 57.936 56.400 -0.093 0.000 0.800 125 E CB 0.120 29.767 29.700 -0.090 0.000 0.752 125 E HN 0.244 nan 8.360 nan 0.000 0.447 126 V N 1.487 121.331 119.914 -0.116 0.000 2.295 126 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 126 V C 2.388 178.424 176.094 -0.096 0.000 1.049 126 V CA 1.457 63.695 62.300 -0.104 0.000 1.024 126 V CB -0.367 31.382 31.823 -0.123 0.000 0.648 126 V HN 0.379 nan 8.190 nan 0.000 0.447 127 L N 0.217 121.370 121.223 -0.116 0.000 2.478 127 L HA 0.160 4.500 4.340 -0.000 0.000 0.223 127 L C 1.704 178.516 176.870 -0.096 0.000 1.140 127 L CA 0.915 55.686 54.840 -0.115 0.000 0.842 127 L CB -0.920 41.047 42.059 -0.155 0.000 0.953 127 L HN 0.607 nan 8.230 nan 0.000 0.452 128 G N 1.268 110.016 108.800 -0.085 0.000 2.246 128 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.273 128 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.273 128 G C 0.154 175.013 174.900 -0.069 0.000 1.055 128 G CA -0.145 44.914 45.100 -0.068 0.000 0.851 128 G HN 0.256 nan 8.290 nan 0.000 0.500 129 L N -0.245 120.928 121.223 -0.083 0.000 2.416 129 L HA 0.389 4.728 4.340 -0.000 0.000 0.272 129 L C 0.575 177.411 176.870 -0.057 0.000 1.161 129 L CA -0.137 54.656 54.840 -0.079 0.000 0.845 129 L CB 0.582 42.580 42.059 -0.102 0.000 1.119 129 L HN -0.024 nan 8.230 nan 0.000 0.464 130 K N 1.689 122.062 120.400 -0.044 0.000 2.207 130 K HA 0.444 4.764 4.320 -0.000 0.000 0.255 130 K C 0.505 177.091 176.600 -0.023 0.000 0.941 130 K CA -0.269 56.001 56.287 -0.029 0.000 0.825 130 K CB 1.786 34.273 32.500 -0.022 0.000 1.119 130 K HN 0.788 nan 8.250 nan 0.000 0.430 131 G N 0.661 109.453 108.800 -0.013 0.000 2.212 131 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.255 131 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.255 131 G C -0.255 174.645 174.900 -0.000 0.000 1.062 131 G CA 0.246 45.346 45.100 -0.001 0.000 0.815 131 G HN 0.791 nan 8.290 nan 0.000 0.497 132 A N -0.063 122.751 122.820 -0.009 0.000 2.427 132 A HA 0.905 5.225 4.320 -0.000 0.000 0.298 132 A C -0.070 177.512 177.584 -0.004 0.000 1.036 132 A CA -0.616 51.415 52.037 -0.010 0.000 0.701 132 A CB 1.276 20.251 19.000 -0.041 0.000 1.250 132 A HN 0.822 nan 8.150 nan 0.000 0.412 133 R N 1.532 122.042 120.500 0.017 0.000 2.670 133 R HA 0.807 5.147 4.340 -0.000 0.000 0.289 133 R C -0.334 175.979 176.300 0.022 0.000 0.965 133 R CA -0.656 55.459 56.100 0.025 0.000 0.899 133 R CB 2.177 32.511 30.300 0.057 0.000 1.173 133 R HN 0.802 nan 8.270 nan 0.000 0.456 134 A N 2.401 125.232 122.820 0.018 0.000 2.303 134 A HA 0.666 4.986 4.320 -0.000 0.000 0.317 134 A C -1.050 176.570 177.584 0.061 0.000 1.149 134 A CA -0.650 51.402 52.037 0.025 0.000 0.822 134 A CB 0.999 20.006 19.000 0.011 0.000 1.131 134 A HN 0.568 nan 8.150 nan 0.000 0.493 135 L N 1.615 122.883 121.223 0.076 0.000 2.470 135 L HA 0.597 4.937 4.340 -0.000 0.000 0.268 135 L C -1.693 175.286 176.870 0.183 0.000 0.964 135 L CA -0.285 54.625 54.840 0.117 0.000 0.839 135 L CB 1.619 43.723 42.059 0.075 0.000 1.276 135 L HN 0.789 nan 8.230 nan 0.000 0.403 136 W N 6.463 127.766 121.300 0.006 0.000 2.358 136 W HA 0.693 5.353 4.660 -0.000 0.000 0.307 136 W C 0.119 176.642 176.519 0.006 0.000 1.203 136 W CA 0.039 57.388 57.345 0.007 0.000 1.279 136 W CB 0.811 30.280 29.460 0.015 0.000 1.264 136 W HN 0.830 nan 8.180 nan 0.000 0.474 137 G N 4.996 113.836 108.800 0.067 0.000 2.356 137 G HA2 0.419 4.378 3.960 -0.000 0.000 0.294 137 G HA3 0.419 4.378 3.960 -0.000 0.000 0.294 137 G C -1.768 173.114 174.900 -0.030 0.000 1.423 137 G CA -1.298 43.745 45.100 -0.094 0.000 0.806 137 G HN 0.310 nan 8.290 nan 0.000 0.527 138 R N 0.201 120.676 120.500 -0.040 0.000 2.393 138 R HA 0.579 4.918 4.340 -0.000 0.000 0.310 138 R C 1.226 177.563 176.300 0.062 0.000 0.968 138 R CA -0.057 56.048 56.100 0.009 0.000 0.867 138 R CB 1.931 32.225 30.300 -0.010 0.000 1.124 138 R HN 0.654 nan 8.270 nan 0.000 0.450 139 A N 3.116 126.002 122.820 0.110 0.000 1.908 139 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 139 A C 1.604 179.288 177.584 0.166 0.000 1.181 139 A CA 1.631 53.817 52.037 0.249 0.000 0.627 139 A CB -0.233 18.927 19.000 0.267 0.000 0.818 139 A HN 0.809 nan 8.150 nan 0.000 0.445 140 E N -0.542 119.706 120.200 0.081 0.000 2.160 140 E HA -0.101 4.249 4.350 -0.000 0.000 0.195 140 E C 1.876 178.484 176.600 0.013 0.000 0.991 140 E CA 1.302 57.721 56.400 0.032 0.000 0.810 140 E CB -0.262 29.457 29.700 0.030 0.000 0.742 140 E HN 0.428 nan 8.360 nan 0.000 0.466 141 V N 0.266 120.196 119.914 0.027 0.000 2.426 141 V HA -0.121 3.999 4.120 -0.000 0.000 0.242 141 V C 2.121 178.245 176.094 0.049 0.000 1.036 141 V CA 0.994 63.305 62.300 0.018 0.000 1.044 141 V CB -0.382 31.439 31.823 -0.003 0.000 0.688 141 V HN 0.224 nan 8.190 nan 0.000 0.462 142 L N 0.701 121.979 121.223 0.092 0.000 2.079 142 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 142 L C 2.488 179.471 176.870 0.188 0.000 1.081 142 L CA 1.622 56.561 54.840 0.166 0.000 0.752 142 L CB -0.717 41.418 42.059 0.126 0.000 0.896 142 L HN 0.377 nan 8.230 nan 0.000 0.433 143 A N -0.152 122.633 122.820 -0.059 0.000 2.239 143 A HA -0.051 4.269 4.320 -0.000 0.000 0.209 143 A C 1.879 179.366 177.584 -0.161 0.000 1.171 143 A CA 0.611 52.384 52.037 -0.440 0.000 0.768 143 A CB -0.373 18.098 19.000 -0.882 0.000 0.790 143 A HN 0.411 nan 8.150 nan 0.000 0.478 144 R N 0.079 120.558 120.500 -0.035 0.000 2.472 144 R HA 0.170 4.510 4.340 -0.000 0.000 0.279 144 R C -0.692 175.627 176.300 0.033 0.000 0.953 144 R CA -0.086 56.008 56.100 -0.011 0.000 1.088 144 R CB 0.492 30.782 30.300 -0.016 0.000 1.197 144 R HN 0.533 nan 8.270 nan 0.000 0.536 145 E N 0.655 120.910 120.200 0.091 0.000 2.216 145 E HA 0.312 4.662 4.350 -0.000 0.000 0.279 145 E C 0.363 177.012 176.600 0.082 0.000 0.997 145 E CA -0.286 56.178 56.400 0.106 0.000 0.817 145 E CB 1.641 31.459 29.700 0.196 0.000 1.096 145 E HN 0.057 nan 8.360 nan 0.000 0.393 146 A N 3.101 125.940 122.820 0.031 0.000 2.019 146 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 146 A C 2.003 179.571 177.584 -0.028 0.000 1.164 146 A CA 1.697 53.738 52.037 0.006 0.000 0.644 146 A CB -0.687 18.308 19.000 -0.008 0.000 0.805 146 A HN 0.769 nan 8.150 nan 0.000 0.449 147 G N -2.323 106.428 108.800 -0.082 0.000 2.509 147 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.218 147 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.218 147 G C 1.342 176.017 174.900 -0.375 0.000 1.124 147 G CA 1.056 46.005 45.100 -0.252 0.000 0.776 147 G HN 0.701 nan 8.290 nan 0.000 0.547 148 H N -1.217 117.955 119.070 0.170 0.000 2.926 148 H HA 0.197 4.753 4.556 -0.000 0.000 0.249 148 H C 0.995 176.555 175.328 0.387 0.000 0.963 148 H CA -0.428 55.856 56.048 0.393 0.000 1.158 148 H CB 0.559 30.670 29.762 0.582 0.000 1.445 148 H HN 0.191 nan 8.280 nan 0.000 0.452 149 R N 2.601 123.258 120.500 0.261 0.000 2.458 149 R HA -0.052 4.288 4.340 -0.000 0.000 0.303 149 R C -0.183 176.194 176.300 0.127 0.000 1.013 149 R CA 0.429 56.595 56.100 0.111 0.000 1.026 149 R CB -0.069 30.243 30.300 0.020 0.000 0.948 149 R HN 0.353 nan 8.270 nan 0.000 0.417 150 E N 1.603 121.900 120.200 0.162 0.000 2.440 150 E HA -0.285 4.065 4.350 -0.000 0.000 0.246 150 E C -0.148 176.525 176.600 0.122 0.000 1.165 150 E CA 0.628 57.113 56.400 0.141 0.000 0.726 150 E CB -1.135 28.608 29.700 0.072 0.000 1.271 150 E HN 0.752 nan 8.360 nan 0.000 0.397 151 A N -0.580 122.337 122.820 0.163 0.000 2.431 151 A HA 0.290 4.610 4.320 -0.000 0.000 0.239 151 A C -0.043 177.408 177.584 -0.223 0.000 1.230 151 A CA 0.073 52.073 52.037 -0.063 0.000 0.928 151 A CB 0.418 19.309 19.000 -0.180 0.000 1.006 151 A HN 0.249 nan 8.150 nan 0.000 0.520 152 Y N -2.072 118.313 120.300 0.142 0.000 2.446 152 Y HA 0.545 5.095 4.550 -0.000 0.000 0.338 152 Y C 1.254 177.207 175.900 0.089 0.000 1.055 152 Y CA -0.233 57.938 58.100 0.119 0.000 1.101 152 Y CB 1.903 40.445 38.460 0.137 0.000 1.221 152 Y HN 0.029 nan 8.280 nan 0.000 0.460 153 A N 2.113 125.060 122.820 0.211 0.000 2.030 153 A HA 0.228 4.548 4.320 -0.000 0.000 0.215 153 A C 0.648 178.298 177.584 0.110 0.000 1.164 153 A CA 0.654 52.763 52.037 0.121 0.000 0.697 153 A CB 0.157 19.201 19.000 0.074 0.000 0.827 153 A HN 0.555 nan 8.150 nan 0.000 0.457 154 R N -1.593 119.013 120.500 0.175 0.000 2.740 154 R HA 0.742 5.082 4.340 -0.000 0.000 0.273 154 R C -1.304 175.096 176.300 0.166 0.000 0.998 154 R CA 0.044 56.225 56.100 0.136 0.000 0.900 154 R CB 1.660 32.046 30.300 0.144 0.000 1.223 154 R HN 0.274 nan 8.270 nan 0.000 0.466 155 A N 0.976 123.874 122.820 0.129 0.000 2.520 155 A HA 0.714 5.033 4.320 -0.000 0.000 0.298 155 A C -0.887 176.763 177.584 0.111 0.000 1.051 155 A CA -0.700 51.368 52.037 0.052 0.000 0.690 155 A CB 1.784 20.784 19.000 -0.000 0.000 1.281 155 A HN 0.524 nan 8.150 nan 0.000 0.402 156 V N -1.785 118.171 119.914 0.069 0.000 3.007 156 V HA 1.025 5.145 4.120 -0.000 0.000 0.311 156 V C -0.315 175.802 176.094 0.038 0.000 1.120 156 V CA -0.324 62.035 62.300 0.098 0.000 0.980 156 V CB 1.322 33.224 31.823 0.131 0.000 1.033 156 V HN 2.411 nan 8.190 nan 0.000 0.429 157 A N 3.371 126.225 122.820 0.056 0.000 2.488 157 A HA 0.871 5.191 4.320 -0.000 0.000 0.295 157 A C -0.709 176.910 177.584 0.059 0.000 1.045 157 A CA -0.775 51.288 52.037 0.044 0.000 0.703 157 A CB 1.907 20.930 19.000 0.038 0.000 1.271 157 A HN 1.094 nan 8.150 nan 0.000 0.400 158 R N 1.724 122.262 120.500 0.062 0.000 2.310 158 R HA 0.697 5.037 4.340 -0.000 0.000 0.316 158 R C -0.628 175.706 176.300 0.056 0.000 1.004 158 R CA 0.204 56.342 56.100 0.064 0.000 0.900 158 R CB 0.922 31.271 30.300 0.082 0.000 1.152 158 R HN 1.304 nan 8.270 nan 0.000 0.513 159 A N 2.763 125.610 122.820 0.044 0.000 2.612 159 A HA 0.343 4.663 4.320 -0.000 0.000 0.293 159 A C -0.055 177.546 177.584 0.028 0.000 1.075 159 A CA -0.724 51.336 52.037 0.037 0.000 0.680 159 A CB 1.494 20.517 19.000 0.037 0.000 1.279 159 A HN 0.375 nan 8.150 nan 0.000 0.411 160 V N 0.985 120.913 119.914 0.023 0.000 2.488 160 V HA 0.088 4.208 4.120 -0.000 0.000 0.246 160 V C 1.774 177.876 176.094 0.014 0.000 1.046 160 V CA 1.698 64.008 62.300 0.016 0.000 1.053 160 V CB -0.879 30.951 31.823 0.013 0.000 0.679 160 V HN 1.219 nan 8.190 nan 0.000 0.458 161 A N 1.889 124.719 122.820 0.017 0.000 2.567 161 A HA 0.232 4.552 4.320 -0.000 0.000 0.240 161 A C -2.043 175.549 177.584 0.014 0.000 1.053 161 A CA -0.617 51.429 52.037 0.015 0.000 0.755 161 A CB -0.645 18.367 19.000 0.021 0.000 0.978 161 A HN 0.285 nan 8.150 nan 0.000 0.507 162 P HA 0.046 nan 4.420 nan 0.000 0.269 162 P C 0.974 178.277 177.300 0.006 0.000 1.217 162 P CA -0.202 62.900 63.100 0.004 0.000 0.783 162 P CB 0.354 32.053 31.700 -0.000 0.000 0.898 163 L N 0.727 121.951 121.223 0.001 0.000 2.127 163 L HA -0.245 4.095 4.340 -0.000 0.000 0.211 163 L C 2.390 179.259 176.870 -0.001 0.000 1.089 163 L CA 1.647 56.488 54.840 0.002 0.000 0.757 163 L CB -0.804 41.252 42.059 -0.005 0.000 0.899 163 L HN 0.459 nan 8.230 nan 0.000 0.434 164 c N -1.045 117.552 118.600 -0.005 0.000 2.432 164 c HA -0.132 4.438 4.570 -0.000 0.000 0.277 164 c C 2.809 176.896 174.090 -0.005 0.000 1.249 164 c CA 0.576 56.899 56.329 -0.010 0.000 1.725 164 c CB -0.602 41.904 42.510 -0.007 0.000 2.028 164 c HN 0.356 nan 8.230 nan 0.000 0.477 165 V N 0.433 120.352 119.914 0.007 0.000 2.295 165 V HA -0.177 3.943 4.120 -0.000 0.000 0.246 165 V C 2.390 178.498 176.094 0.025 0.000 1.049 165 V CA 1.607 63.917 62.300 0.018 0.000 1.024 165 V CB -0.737 31.098 31.823 0.020 0.000 0.648 165 V HN 0.397 nan 8.190 nan 0.000 0.447 166 L N 0.178 121.416 121.223 0.025 0.000 2.083 166 L HA -0.101 4.239 4.340 -0.000 0.000 0.209 166 L C 2.568 179.461 176.870 0.039 0.000 1.083 166 L CA 1.824 56.686 54.840 0.037 0.000 0.752 166 L CB -0.905 41.174 42.059 0.034 0.000 0.899 166 L HN 0.300 nan 8.230 nan 0.000 0.433 167 S N -0.996 114.715 115.700 0.018 0.000 2.382 167 S HA -0.222 4.248 4.470 -0.000 0.000 0.228 167 S C 1.875 176.473 174.600 -0.003 0.000 1.027 167 S CA 1.289 59.493 58.200 0.006 0.000 0.991 167 S CB -0.179 63.009 63.200 -0.020 0.000 0.823 167 S HN 0.538 nan 8.310 nan 0.000 0.469 168 E N 0.369 120.561 120.200 -0.013 0.000 2.150 168 E HA -0.100 4.249 4.350 -0.000 0.000 0.193 168 E C 1.540 178.158 176.600 0.030 0.000 0.985 168 E CA 0.657 57.045 56.400 -0.019 0.000 0.814 168 E CB 0.028 29.724 29.700 -0.006 0.000 0.752 168 E HN 0.223 nan 8.360 nan 0.000 0.466 169 L N 0.307 121.568 121.223 0.064 0.000 2.131 169 L HA -0.008 4.332 4.340 -0.000 0.000 0.206 169 L C 2.071 179.073 176.870 0.221 0.000 1.087 169 L CA 1.191 56.105 54.840 0.122 0.000 0.767 169 L CB -0.472 41.662 42.059 0.125 0.000 0.917 169 L HN 0.244 nan 8.230 nan 0.000 0.441 170 L N -2.003 119.329 121.223 0.181 0.000 2.145 170 L HA -0.059 4.281 4.340 -0.000 0.000 0.201 170 L C 2.323 179.330 176.870 0.228 0.000 1.075 170 L CA 0.459 55.447 54.840 0.245 0.000 0.773 170 L CB -0.337 41.800 42.059 0.132 0.000 0.936 170 L HN 0.116 nan 8.230 nan 0.000 0.451 171 L N 0.179 121.467 121.223 0.108 0.000 2.081 171 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 171 L C -0.456 176.449 176.870 0.058 0.000 1.080 171 L CA 1.467 56.350 54.840 0.072 0.000 0.754 171 L CB -1.508 40.562 42.059 0.018 0.000 0.893 171 L HN 0.226 nan 8.230 nan 0.000 0.433 172 P HA -0.139 nan 4.420 nan 0.000 0.228 172 P C 1.112 178.346 177.300 -0.110 0.000 1.151 172 P CA 1.233 64.275 63.100 -0.098 0.000 0.770 172 P CB -0.025 31.548 31.700 -0.211 0.000 0.786 173 F N -1.298 118.715 119.950 0.106 0.000 2.710 173 F HA 0.101 4.628 4.527 0.000 0.000 0.298 173 F C 1.240 177.180 175.800 0.233 0.000 1.137 173 F CA 0.282 58.391 58.000 0.181 0.000 1.444 173 F CB -0.396 38.646 39.000 0.070 0.000 1.111 173 F HN -0.207 nan 8.300 nan 0.000 0.580 174 L N 1.702 123.098 121.223 0.289 0.000 2.276 174 L HA 0.208 4.547 4.340 -0.000 0.000 0.286 174 L C 0.588 177.547 176.870 0.149 0.000 1.061 174 L CA -0.691 54.280 54.840 0.218 0.000 0.807 174 L CB 0.653 42.799 42.059 0.145 0.000 1.177 174 L HN 0.168 nan 8.230 nan 0.000 0.429 175 E N 2.899 123.180 120.200 0.134 0.000 2.404 175 E HA 0.156 4.506 4.350 -0.000 0.000 0.261 175 E C -0.522 176.112 176.600 0.057 0.000 1.074 175 E CA -0.816 55.631 56.400 0.079 0.000 0.917 175 E CB 1.099 30.834 29.700 0.058 0.000 0.965 175 E HN 0.226 nan 8.360 nan 0.000 0.433 176 V N 2.915 122.853 119.914 0.039 0.000 2.617 176 V HA 0.171 4.290 4.120 -0.000 0.000 0.304 176 V C 1.519 177.625 176.094 0.020 0.000 1.040 176 V CA 1.827 64.143 62.300 0.027 0.000 1.149 176 V CB 0.171 32.005 31.823 0.020 0.000 0.914 176 V HN 1.054 nan 8.190 nan 0.000 0.487 177 G N 3.474 112.283 108.800 0.014 0.000 2.213 177 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.236 177 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.236 177 G C 0.561 175.461 174.900 0.001 0.000 0.991 177 G CA 0.064 45.167 45.100 0.005 0.000 0.629 177 G HN 1.341 nan 8.290 nan 0.000 0.517 178 G N -0.238 108.572 108.800 0.017 0.000 2.588 178 G HA2 0.802 4.762 3.960 -0.000 0.000 0.281 178 G HA3 0.802 4.762 3.960 -0.000 0.000 0.281 178 G C -0.023 174.878 174.900 0.003 0.000 1.236 178 G CA 0.423 45.532 45.100 0.016 0.000 0.969 178 G HN 1.678 nan 8.290 nan 0.000 0.504 179 A N -1.414 121.399 122.820 -0.012 0.000 2.515 179 A HA 0.850 5.170 4.320 -0.000 0.000 0.298 179 A C -0.308 177.276 177.584 -0.001 0.000 1.059 179 A CA 0.012 52.035 52.037 -0.024 0.000 0.698 179 A CB 1.548 20.500 19.000 -0.079 0.000 1.289 179 A HN 1.935 nan 8.150 nan 0.000 0.404 180 A N 0.646 123.482 122.820 0.027 0.000 2.355 180 A HA 0.773 5.093 4.320 -0.000 0.000 0.324 180 A C -0.901 176.725 177.584 0.069 0.000 1.117 180 A CA -0.536 51.538 52.037 0.062 0.000 0.785 180 A CB 1.339 20.384 19.000 0.074 0.000 1.254 180 A HN 1.389 nan 8.150 nan 0.000 0.453 181 V N 1.260 121.246 119.914 0.119 0.000 2.409 181 V HA 0.624 4.744 4.120 -0.000 0.000 0.291 181 V C 0.385 176.547 176.094 0.113 0.000 1.020 181 V CA -0.384 61.994 62.300 0.131 0.000 0.848 181 V CB 1.290 33.244 31.823 0.219 0.000 0.990 181 V HN 1.168 nan 8.190 nan 0.000 0.430 182 A N 6.802 129.674 122.820 0.086 0.000 2.252 182 A HA 0.743 5.063 4.320 -0.000 0.000 0.309 182 A C -0.062 177.570 177.584 0.079 0.000 1.285 182 A CA -0.480 51.600 52.037 0.073 0.000 0.900 182 A CB 0.206 19.238 19.000 0.053 0.000 1.157 182 A HN 0.844 nan 8.150 nan 0.000 0.536 183 M N 3.710 123.357 119.600 0.078 0.000 2.143 183 M HA 0.286 4.766 4.480 -0.000 0.000 0.348 183 M C -0.098 176.241 176.300 0.065 0.000 1.375 183 M CA 0.179 55.524 55.300 0.076 0.000 1.124 183 M CB 0.636 33.278 32.600 0.071 0.000 1.669 183 M HN 0.461 nan 8.290 nan 0.000 0.469 184 K N 1.639 122.087 120.400 0.080 0.000 2.350 184 K HA 0.705 5.025 4.320 -0.000 0.000 0.241 184 K C 0.144 176.805 176.600 0.100 0.000 0.994 184 K CA -0.548 55.786 56.287 0.079 0.000 0.839 184 K CB 2.106 34.652 32.500 0.075 0.000 1.244 184 K HN 0.775 nan 8.250 nan 0.000 0.443 185 G N 0.589 109.440 108.800 0.086 0.000 2.531 185 G HA2 0.207 4.167 3.960 -0.000 0.000 0.253 185 G HA3 0.207 4.167 3.960 -0.000 0.000 0.253 185 G C -1.793 173.218 174.900 0.185 0.000 1.439 185 G CA -0.702 44.448 45.100 0.083 0.000 1.056 185 G HN 0.236 nan 8.290 nan 0.000 0.555 186 P HA 0.002 nan 4.420 nan 0.000 0.220 186 P C 0.462 177.885 177.300 0.206 0.000 1.148 186 P CA 0.899 64.100 63.100 0.168 0.000 0.803 186 P CB 0.207 31.949 31.700 0.070 0.000 0.782 187 R N -0.254 120.290 120.500 0.074 0.000 2.288 187 R HA 0.275 4.615 4.340 -0.000 0.000 0.326 187 R C 0.422 176.660 176.300 -0.103 0.000 0.959 187 R CA -0.263 55.826 56.100 -0.018 0.000 0.834 187 R CB 1.278 31.573 30.300 -0.007 0.000 1.157 187 R HN -0.069 nan 8.270 nan 0.000 0.470 188 V N -0.952 118.821 119.914 -0.236 0.000 3.502 188 V HA 0.057 4.177 4.120 -0.000 0.000 0.288 188 V C 1.784 177.786 176.094 -0.154 0.000 1.461 188 V CA -0.021 62.142 62.300 -0.230 0.000 1.029 188 V CB 0.455 32.044 31.823 -0.390 0.000 0.843 188 V HN 0.600 nan 8.190 nan 0.000 0.438 189 E N 2.466 122.589 120.200 -0.129 0.000 2.049 189 E HA -0.318 4.032 4.350 -0.000 0.000 0.198 189 E C 1.705 178.272 176.600 -0.054 0.000 1.007 189 E CA 2.414 58.766 56.400 -0.080 0.000 0.809 189 E CB -0.690 28.977 29.700 -0.055 0.000 0.749 189 E HN 0.750 nan 8.360 nan 0.000 0.450 190 E N 0.671 120.844 120.200 -0.044 0.000 2.106 190 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 190 E C 2.177 178.759 176.600 -0.030 0.000 0.984 190 E CA 0.900 57.282 56.400 -0.031 0.000 0.806 190 E CB -0.056 29.630 29.700 -0.023 0.000 0.750 190 E HN 0.480 nan 8.360 nan 0.000 0.458 191 E N 0.449 120.627 120.200 -0.037 0.000 2.150 191 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 191 E C 2.076 178.657 176.600 -0.032 0.000 0.985 191 E CA 0.511 56.892 56.400 -0.031 0.000 0.814 191 E CB 0.120 29.801 29.700 -0.033 0.000 0.752 191 E HN 0.237 nan 8.360 nan 0.000 0.466 192 L N 0.187 121.384 121.223 -0.043 0.000 2.209 192 L HA -0.011 4.329 4.340 -0.000 0.000 0.207 192 L C 2.518 179.372 176.870 -0.028 0.000 1.094 192 L CA 0.425 55.242 54.840 -0.038 0.000 0.790 192 L CB -0.294 41.734 42.059 -0.051 0.000 0.932 192 L HN 0.102 nan 8.230 nan 0.000 0.447 193 A N 1.268 124.072 122.820 -0.027 0.000 1.884 193 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 193 A C -0.173 177.402 177.584 -0.016 0.000 1.197 193 A CA 2.171 54.196 52.037 -0.020 0.000 0.637 193 A CB -1.887 17.102 19.000 -0.018 0.000 0.827 193 A HN 0.370 nan 8.150 nan 0.000 0.450 194 P HA 0.185 nan 4.420 nan 0.000 0.261 194 P C 1.183 178.474 177.300 -0.015 0.000 1.352 194 P CA -0.075 63.018 63.100 -0.012 0.000 0.891 194 P CB 0.222 31.917 31.700 -0.009 0.000 1.383 195 L N 0.480 121.693 121.223 -0.018 0.000 2.027 195 L HA -0.008 4.332 4.340 -0.000 0.000 0.206 195 L C -0.581 176.275 176.870 -0.023 0.000 1.074 195 L CA 1.991 56.818 54.840 -0.021 0.000 0.745 195 L CB -1.590 40.457 42.059 -0.020 0.000 0.898 195 L HN 0.010 nan 8.230 nan 0.000 0.433 196 P HA -0.111 nan 4.420 nan 0.000 0.215 196 P C -1.453 175.834 177.300 -0.022 0.000 1.153 196 P CA 1.608 64.697 63.100 -0.018 0.000 0.853 196 P CB -0.961 30.731 31.700 -0.013 0.000 0.788 197 P HA -0.093 nan 4.420 nan 0.000 0.218 197 P C 1.362 178.641 177.300 -0.034 0.000 1.149 197 P CA 1.625 64.713 63.100 -0.021 0.000 0.817 197 P CB -0.581 31.111 31.700 -0.013 0.000 0.785 198 A N -0.283 122.512 122.820 -0.041 0.000 1.898 198 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 198 A C 2.193 179.720 177.584 -0.094 0.000 1.181 198 A CA 1.295 53.291 52.037 -0.069 0.000 0.620 198 A CB -1.635 17.329 19.000 -0.060 0.000 0.819 198 A HN 0.100 nan 8.150 nan 0.000 0.442 199 L N -0.979 120.204 121.223 -0.066 0.000 2.079 199 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 199 L C 2.610 179.441 176.870 -0.065 0.000 1.081 199 L CA 1.872 56.674 54.840 -0.064 0.000 0.752 199 L CB -0.532 41.505 42.059 -0.037 0.000 0.896 199 L HN 0.454 nan 8.230 nan 0.000 0.433 200 E N 0.136 120.306 120.200 -0.050 0.000 2.085 200 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 200 E C 2.281 178.855 176.600 -0.044 0.000 0.994 200 E CA 1.089 57.468 56.400 -0.036 0.000 0.801 200 E CB 0.079 29.766 29.700 -0.022 0.000 0.743 200 E HN 0.310 nan 8.360 nan 0.000 0.453 201 R N -0.298 120.157 120.500 -0.075 0.000 2.152 201 R HA -0.105 4.235 4.340 -0.000 0.000 0.232 201 R C 1.825 178.043 176.300 -0.137 0.000 1.117 201 R CA 0.899 56.947 56.100 -0.086 0.000 0.981 201 R CB -0.176 30.038 30.300 -0.143 0.000 0.870 201 R HN 0.241 nan 8.270 nan 0.000 0.451 202 L N -0.754 120.360 121.223 -0.181 0.000 2.607 202 L HA 0.241 4.581 4.340 -0.000 0.000 0.228 202 L C 1.088 177.930 176.870 -0.046 0.000 1.123 202 L CA 0.295 55.037 54.840 -0.164 0.000 0.890 202 L CB 0.537 42.475 42.059 -0.202 0.000 1.103 202 L HN 0.404 nan 8.230 nan 0.000 0.468 203 G N -0.128 108.656 108.800 -0.027 0.000 2.141 203 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.242 203 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.242 203 G C 0.406 175.303 174.900 -0.006 0.000 0.982 203 G CA -0.137 44.960 45.100 -0.004 0.000 0.662 203 G HN 0.514 nan 8.290 nan 0.000 0.527 204 G N -1.038 107.751 108.800 -0.019 0.000 2.552 204 G HA2 0.809 4.769 3.960 -0.000 0.000 0.324 204 G HA3 0.809 4.769 3.960 -0.000 0.000 0.324 204 G C -0.429 174.463 174.900 -0.014 0.000 1.217 204 G CA -0.204 44.888 45.100 -0.012 0.000 0.989 204 G HN 0.739 nan 8.290 nan 0.000 0.490 205 R N -0.124 120.371 120.500 -0.009 0.000 2.626 205 R HA 0.394 4.734 4.340 -0.000 0.000 0.274 205 R C -1.649 174.647 176.300 -0.007 0.000 1.031 205 R CA -0.851 55.244 56.100 -0.009 0.000 0.898 205 R CB 1.855 32.151 30.300 -0.006 0.000 1.222 205 R HN 0.461 nan 8.270 nan 0.000 0.455 206 L N 3.926 125.145 121.223 -0.007 0.000 2.477 206 L HA 0.347 4.687 4.340 -0.000 0.000 0.272 206 L C 0.382 177.251 176.870 -0.002 0.000 1.157 206 L CA 0.878 55.715 54.840 -0.004 0.000 0.889 206 L CB 0.949 43.005 42.059 -0.005 0.000 1.158 206 L HN 0.817 nan 8.230 nan 0.000 0.473 207 G N 4.320 113.120 108.800 0.000 0.000 2.666 207 G HA2 0.261 4.221 3.960 -0.000 0.000 0.207 207 G HA3 0.261 4.221 3.960 -0.000 0.000 0.207 207 G C -0.453 174.450 174.900 0.006 0.000 1.481 207 G CA -0.152 44.947 45.100 -0.000 0.000 1.071 207 G HN 0.802 nan 8.290 nan 0.000 0.572 208 E N -1.665 118.540 120.200 0.008 0.000 2.371 208 E HA 0.406 4.756 4.350 -0.000 0.000 0.257 208 E C -1.147 175.472 176.600 0.031 0.000 1.134 208 E CA -0.659 55.752 56.400 0.018 0.000 0.919 208 E CB 1.519 31.229 29.700 0.017 0.000 1.025 208 E HN 0.068 nan 8.360 nan 0.000 0.438 209 V N 2.991 122.931 119.914 0.043 0.000 2.304 209 V HA 0.170 4.290 4.120 -0.000 0.000 0.278 209 V C -0.700 175.452 176.094 0.096 0.000 1.018 209 V CA -0.803 61.540 62.300 0.071 0.000 0.814 209 V CB 0.852 32.711 31.823 0.060 0.000 1.021 209 V HN 0.583 nan 8.190 nan 0.000 0.440 210 L N 5.397 126.677 121.223 0.094 0.000 2.260 210 L HA 0.775 5.115 4.340 -0.000 0.000 0.289 210 L C 0.568 177.466 176.870 0.047 0.000 1.057 210 L CA 0.159 55.039 54.840 0.067 0.000 0.811 210 L CB 0.949 43.038 42.059 0.049 0.000 1.184 210 L HN 0.688 nan 8.230 nan 0.000 0.429 211 A N 6.322 129.145 122.820 0.005 0.000 2.328 211 A HA 0.705 5.025 4.320 -0.000 0.000 0.284 211 A C -0.851 176.648 177.584 -0.142 0.000 1.160 211 A CA -0.405 51.526 52.037 -0.177 0.000 0.818 211 A CB 0.214 19.145 19.000 -0.116 0.000 1.087 211 A HN 0.823 nan 8.150 nan 0.000 0.504 212 L N -0.515 120.591 121.223 -0.195 0.000 2.491 212 L HA 0.682 5.022 4.340 -0.000 0.000 0.254 212 L C -0.664 176.132 176.870 -0.124 0.000 1.048 212 L CA -0.682 54.089 54.840 -0.114 0.000 0.855 212 L CB 1.444 43.465 42.059 -0.064 0.000 1.466 212 L HN 0.599 nan 8.230 nan 0.000 0.409 213 Q N 1.104 120.856 119.800 -0.081 0.000 2.333 213 Q HA 0.616 4.956 4.340 -0.000 0.000 0.267 213 Q C -1.175 174.788 176.000 -0.060 0.000 1.012 213 Q CA -0.860 54.899 55.803 -0.072 0.000 0.824 213 Q CB 2.491 31.195 28.738 -0.057 0.000 1.290 213 Q HN 0.630 nan 8.270 nan 0.000 0.449 214 L N 4.078 125.262 121.223 -0.064 0.000 2.485 214 L HA -0.008 4.332 4.340 -0.000 0.000 0.275 214 L C -1.383 175.453 176.870 -0.056 0.000 1.207 214 L CA -1.083 53.720 54.840 -0.062 0.000 0.855 214 L CB 0.102 42.115 42.059 -0.076 0.000 1.114 214 L HN 0.450 nan 8.230 nan 0.000 0.485 215 P HA -0.170 nan 4.420 nan 0.000 0.216 215 P C 1.327 178.596 177.300 -0.051 0.000 1.153 215 P CA 1.587 64.658 63.100 -0.047 0.000 0.858 215 P CB 0.268 31.939 31.700 -0.048 0.000 0.789 216 L N -2.262 118.924 121.223 -0.062 0.000 2.577 216 L HA 0.137 4.477 4.340 -0.000 0.000 0.225 216 L C 2.208 179.042 176.870 -0.061 0.000 1.053 216 L CA 0.933 55.734 54.840 -0.064 0.000 0.866 216 L CB -0.603 41.408 42.059 -0.079 0.000 1.132 216 L HN -0.026 nan 8.230 nan 0.000 0.486 217 S N -0.507 115.154 115.700 -0.065 0.000 2.503 217 S HA 0.155 4.625 4.470 -0.000 0.000 0.217 217 S C 1.704 176.273 174.600 -0.052 0.000 0.999 217 S CA 0.574 58.738 58.200 -0.061 0.000 0.914 217 S CB 0.465 63.622 63.200 -0.072 0.000 0.782 217 S HN 0.461 nan 8.310 nan 0.000 0.520 218 G N 1.122 109.891 108.800 -0.051 0.000 2.189 218 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.267 218 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.267 218 G C -0.152 174.719 174.900 -0.050 0.000 0.975 218 G CA 0.474 45.547 45.100 -0.046 0.000 0.644 218 G HN 0.651 nan 8.290 nan 0.000 0.537 219 E N 0.752 120.918 120.200 -0.056 0.000 2.452 219 E HA 0.420 4.770 4.350 -0.000 0.000 0.261 219 E C 0.951 177.514 176.600 -0.063 0.000 0.987 219 E CA 0.185 56.552 56.400 -0.055 0.000 0.926 219 E CB 0.567 30.229 29.700 -0.063 0.000 0.934 219 E HN 0.697 nan 8.360 nan 0.000 0.452 220 A N 4.441 127.227 122.820 -0.056 0.000 2.440 220 A HA 0.292 4.612 4.320 -0.000 0.000 0.251 220 A C -0.066 177.463 177.584 -0.092 0.000 1.089 220 A CA -0.145 51.841 52.037 -0.085 0.000 0.779 220 A CB 0.456 19.425 19.000 -0.053 0.000 1.022 220 A HN 0.438 nan 8.150 nan 0.000 0.492 221 R N 0.524 120.917 120.500 -0.178 0.000 2.836 221 R HA 0.562 4.902 4.340 -0.000 0.000 0.269 221 R C -1.603 174.506 176.300 -0.318 0.000 1.010 221 R CA -0.685 55.340 56.100 -0.126 0.000 0.930 221 R CB 1.702 31.957 30.300 -0.074 0.000 1.218 221 R HN 0.919 nan 8.270 nan 0.000 0.473 222 H N 0.212 119.286 119.070 0.006 0.000 2.771 222 H HA 0.463 5.019 4.556 0.000 0.000 0.361 222 H C -0.639 174.704 175.328 0.025 0.000 1.108 222 H CA -0.533 55.523 56.048 0.014 0.000 1.201 222 H CB 1.833 31.602 29.762 0.011 0.000 1.681 222 H HN 0.146 nan 8.280 nan 0.000 0.534 223 L N 3.225 124.529 121.223 0.135 0.000 2.272 223 L HA 0.469 4.809 4.340 -0.000 0.000 0.289 223 L C -0.555 176.381 176.870 0.109 0.000 1.032 223 L CA -1.022 53.887 54.840 0.115 0.000 0.810 223 L CB 1.125 43.248 42.059 0.107 0.000 1.205 223 L HN 0.309 nan 8.230 nan 0.000 0.422 224 V N 4.546 124.515 119.914 0.092 0.000 2.347 224 V HA 0.287 4.406 4.120 -0.000 0.000 0.280 224 V C 0.231 176.358 176.094 0.055 0.000 1.021 224 V CA -0.641 61.697 62.300 0.064 0.000 0.847 224 V CB 1.861 33.710 31.823 0.044 0.000 0.990 224 V HN 0.422 nan 8.190 nan 0.000 0.444 225 V N 6.961 126.899 119.914 0.040 0.000 2.432 225 V HA 0.410 4.529 4.120 -0.000 0.000 0.275 225 V C -0.025 176.079 176.094 0.016 0.000 1.043 225 V CA -0.363 61.953 62.300 0.026 0.000 0.925 225 V CB 1.316 33.143 31.823 0.008 0.000 0.985 225 V HN 0.632 nan 8.190 nan 0.000 0.466 226 L N 5.177 126.411 121.223 0.017 0.000 2.287 226 L HA 0.570 4.910 4.340 -0.000 0.000 0.287 226 L C 0.074 176.949 176.870 0.008 0.000 1.022 226 L CA -0.458 54.390 54.840 0.013 0.000 0.814 226 L CB 1.422 43.493 42.059 0.021 0.000 1.217 226 L HN 0.600 nan 8.230 nan 0.000 0.420 227 E N 2.376 122.576 120.200 0.001 0.000 2.249 227 E HA 0.256 4.606 4.350 -0.000 0.000 0.280 227 E C -0.731 175.873 176.600 0.006 0.000 1.016 227 E CA -0.898 55.501 56.400 -0.002 0.000 0.830 227 E CB 1.882 31.577 29.700 -0.008 0.000 1.081 227 E HN 0.182 nan 8.360 nan 0.000 0.395 228 K N 1.719 122.126 120.400 0.012 0.000 2.267 228 K HA 0.116 4.436 4.320 -0.000 0.000 0.282 228 K C 0.167 176.775 176.600 0.013 0.000 1.078 228 K CA 0.170 56.469 56.287 0.020 0.000 0.903 228 K CB 0.808 33.331 32.500 0.038 0.000 1.111 228 K HN 0.400 nan 8.250 nan 0.000 0.475 229 T N 1.472 116.031 114.554 0.009 0.000 2.990 229 T HA 0.492 4.841 4.350 -0.000 0.000 0.249 229 T C -0.545 174.160 174.700 0.009 0.000 1.039 229 T CA 0.485 62.589 62.100 0.006 0.000 1.036 229 T CB 0.225 69.094 68.868 0.002 0.000 0.994 229 T HN 0.637 nan 8.240 nan 0.000 0.489 230 A N 1.246 124.073 122.820 0.012 0.000 2.599 230 A HA 0.739 5.059 4.320 -0.000 0.000 0.290 230 A C -3.052 174.544 177.584 0.020 0.000 1.101 230 A CA -1.458 50.587 52.037 0.014 0.000 0.674 230 A CB 0.594 19.601 19.000 0.012 0.000 1.277 230 A HN 0.016 nan 8.150 nan 0.000 0.419 231 P HA 0.252 nan 4.420 nan 0.000 0.269 231 P C -0.239 177.082 177.300 0.034 0.000 1.209 231 P CA 0.404 63.520 63.100 0.026 0.000 0.776 231 P CB 0.349 32.062 31.700 0.022 0.000 0.876 232 T N 4.887 119.464 114.554 0.039 0.000 2.851 232 T HA 0.229 4.579 4.350 -0.000 0.000 0.298 232 T C -2.038 172.712 174.700 0.084 0.000 0.977 232 T CA -0.840 61.298 62.100 0.063 0.000 1.126 232 T CB -0.373 68.528 68.868 0.056 0.000 0.916 232 T HN 0.297 nan 8.240 nan 0.000 0.529 233 P HA 0.098 nan 4.420 nan 0.000 0.268 233 P C -1.562 175.774 177.300 0.060 0.000 1.208 233 P CA -1.344 61.818 63.100 0.103 0.000 0.777 233 P CB 0.123 31.915 31.700 0.154 0.000 0.875 234 P HA -0.168 nan 4.420 nan 0.000 0.223 234 P C 0.899 178.130 177.300 -0.116 0.000 1.144 234 P CA 1.236 64.310 63.100 -0.043 0.000 0.783 234 P CB -0.260 31.413 31.700 -0.043 0.000 0.771 235 A N -1.601 121.081 122.820 -0.230 0.000 2.067 235 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 235 A C 0.573 177.776 177.584 -0.634 0.000 1.158 235 A CA 0.940 52.678 52.037 -0.498 0.000 0.661 235 A CB -0.925 17.626 19.000 -0.750 0.000 0.801 235 A HN 0.164 nan 8.150 nan 0.000 0.452 236 Y N -0.631 119.653 120.300 -0.027 0.000 2.468 236 Y HA 0.491 5.041 4.550 0.000 0.000 0.342 236 Y C -2.312 173.553 175.900 -0.059 0.000 1.021 236 Y CA -3.223 54.858 58.100 -0.033 0.000 1.079 236 Y CB 1.128 39.572 38.460 -0.026 0.000 1.226 236 Y HN -0.015 nan 8.280 nan 0.000 0.460 237 P HA 0.261 nan 4.420 nan 0.000 0.277 237 P C -0.526 176.820 177.300 0.076 0.000 1.240 237 P CA -0.443 62.736 63.100 0.131 0.000 0.798 237 P CB 1.321 33.044 31.700 0.039 0.000 0.979 238 R N 0.687 121.252 120.500 0.109 0.000 2.840 238 R HA 0.224 4.564 4.340 -0.000 0.000 0.282 238 R C 1.166 177.484 176.300 0.029 0.000 1.133 238 R CA -0.444 55.678 56.100 0.036 0.000 1.208 238 R CB 0.166 30.503 30.300 0.061 0.000 1.160 238 R HN 0.450 nan 8.270 nan 0.000 0.576 239 R N 0.984 121.494 120.500 0.017 0.000 2.784 239 R HA 0.049 4.389 4.340 -0.000 0.000 0.266 239 R C -2.106 174.211 176.300 0.028 0.000 1.044 239 R CA -1.319 54.790 56.100 0.015 0.000 1.151 239 R CB -0.158 30.147 30.300 0.008 0.000 1.037 239 R HN 0.348 nan 8.270 nan 0.000 0.478 240 P HA -0.128 nan 4.420 nan 0.000 0.261 240 P C 0.535 177.852 177.300 0.029 0.000 1.173 240 P CA 1.387 64.501 63.100 0.023 0.000 0.760 240 P CB 0.367 32.073 31.700 0.011 0.000 0.783 241 G N 1.665 110.485 108.800 0.033 0.000 2.267 241 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.257 241 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.257 241 G C 1.063 175.987 174.900 0.039 0.000 0.998 241 G CA 0.325 45.442 45.100 0.029 0.000 0.620 241 G HN 0.414 nan 8.290 nan 0.000 0.529 242 V N 1.781 121.733 119.914 0.064 0.000 2.358 242 V HA -0.070 4.050 4.120 -0.000 0.000 0.246 242 V C 0.698 176.857 176.094 0.109 0.000 1.047 242 V CA 2.600 64.967 62.300 0.111 0.000 1.035 242 V CB -0.950 30.942 31.823 0.114 0.000 0.658 242 V HN 0.385 nan 8.190 nan 0.000 0.452 243 P HA -0.170 nan 4.420 nan 0.000 0.216 243 P C 1.661 178.991 177.300 0.048 0.000 1.153 243 P CA 1.436 64.584 63.100 0.080 0.000 0.848 243 P CB 0.103 31.846 31.700 0.071 0.000 0.787 244 E N -0.624 119.593 120.200 0.027 0.000 2.072 244 E HA -0.165 4.185 4.350 -0.000 0.000 0.190 244 E C 2.251 178.825 176.600 -0.044 0.000 0.982 244 E CA 0.705 57.105 56.400 -0.000 0.000 0.803 244 E CB -0.071 29.630 29.700 0.001 0.000 0.755 244 E HN 0.007 nan 8.360 nan 0.000 0.453 245 R N -0.646 119.806 120.500 -0.079 0.000 2.062 245 R HA -0.026 4.314 4.340 -0.000 0.000 0.229 245 R C 0.391 176.432 176.300 -0.432 0.000 1.128 245 R CA 0.901 56.847 56.100 -0.257 0.000 0.960 245 R CB 0.191 30.318 30.300 -0.288 0.000 0.855 245 R HN 0.237 nan 8.270 nan 0.000 0.432 246 H N 0.250 119.334 119.070 0.023 0.000 2.530 246 H HA 0.306 4.862 4.556 -0.000 0.000 0.246 246 H C -2.391 172.955 175.328 0.030 0.000 1.346 246 H CA -2.312 53.751 56.048 0.024 0.000 1.424 246 H CB 1.171 30.949 29.762 0.026 0.000 1.445 246 H HN 0.119 nan 8.280 nan 0.000 0.511 247 P HA 0.047 nan 4.420 nan 0.000 0.271 247 P C 1.367 178.703 177.300 0.060 0.000 1.218 247 P CA -0.395 62.741 63.100 0.060 0.000 0.780 247 P CB 1.441 33.157 31.700 0.028 0.000 0.901 248 L N 0.816 122.062 121.223 0.038 0.000 2.261 248 L HA -0.140 4.200 4.340 -0.000 0.000 0.216 248 L C 1.068 177.943 176.870 0.008 0.000 1.114 248 L CA 1.241 56.091 54.840 0.016 0.000 0.777 248 L CB -0.555 41.477 42.059 -0.044 0.000 0.910 248 L HN 0.602 nan 8.230 nan 0.000 0.440 249 c N 0.000 118.605 118.600 0.008 0.000 2.653 249 c HA 0.000 4.570 4.570 -0.000 0.000 0.325 249 c CA 0.000 56.332 56.329 0.004 0.000 1.963 249 c CB 0.000 42.506 42.510 -0.007 0.000 2.134 249 c HN 0.000 nan 8.230 nan 0.000 0.568