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_F 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 0.000 176.122 176.300 -0.296 0.000 1.140 1 M CA 0.000 55.028 55.300 -0.454 0.000 0.988 1 M CB 0.000 32.024 32.600 -0.961 0.000 1.302 5 K N 1.371 121.551 120.400 -0.366 0.000 2.259 5 K HA 0.721 5.041 4.320 -0.000 0.000 0.249 5 K C -1.174 175.138 176.600 -0.480 0.000 0.942 5 K CA -1.138 54.939 56.287 -0.350 0.000 0.816 5 K CB 2.028 34.455 32.500 -0.122 0.000 1.155 5 K HN 0.518 nan 8.250 nan 0.000 0.428 6 H N 1.529 120.637 119.070 0.062 0.000 3.078 6 H HA 0.222 4.777 4.556 -0.000 0.000 0.319 6 H C -2.562 172.813 175.328 0.079 0.000 0.995 6 H CA -2.438 53.650 56.048 0.066 0.000 1.417 6 H CB 0.979 30.783 29.762 0.070 0.000 1.598 6 H HN 0.361 nan 8.280 nan 0.000 0.515 7 P HA 0.027 nan 4.420 nan 0.000 0.260 7 P C 1.041 178.422 177.300 0.135 0.000 1.172 7 P CA 1.022 64.195 63.100 0.122 0.000 0.760 7 P CB 0.358 32.112 31.700 0.090 0.000 0.773 8 G N 1.678 110.556 108.800 0.130 0.000 2.176 8 G HA2 0.066 4.025 3.960 -0.000 0.000 0.252 8 G HA3 0.066 4.025 3.960 -0.000 0.000 0.252 8 G C 0.335 175.337 174.900 0.171 0.000 1.024 8 G CA -0.178 44.995 45.100 0.122 0.000 0.755 8 G HN 0.984 nan 8.290 nan 0.000 0.507 9 G N -1.710 107.242 108.800 0.255 0.000 2.548 9 G HA2 0.613 4.573 3.960 -0.000 0.000 0.301 9 G HA3 0.613 4.573 3.960 -0.000 0.000 0.301 9 G C -0.411 174.723 174.900 0.390 0.000 1.349 9 G CA -0.812 44.486 45.100 0.329 0.000 0.792 9 G HN 0.745 nan 8.290 nan 0.000 0.481 10 L N 1.709 123.096 121.223 0.274 0.000 2.490 10 L HA 0.280 4.620 4.340 -0.000 0.000 0.274 10 L C 1.645 178.608 176.870 0.154 0.000 1.201 10 L CA -0.256 54.598 54.840 0.023 0.000 0.869 10 L CB 0.876 42.923 42.059 -0.019 0.000 1.123 10 L HN 0.764 nan 8.230 nan 0.000 0.484 11 S N 1.427 117.156 115.700 0.049 0.000 2.617 11 S HA -0.016 4.454 4.470 -0.000 0.000 0.255 11 S C 0.996 175.657 174.600 0.101 0.000 1.318 11 S CA -0.205 58.018 58.200 0.039 0.000 0.978 11 S CB 0.842 64.017 63.200 -0.041 0.000 0.961 11 S HN 0.771 nan 8.310 nan 0.000 0.582 12 E N 0.422 120.647 120.200 0.042 0.000 2.085 12 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 12 E C 2.299 178.968 176.600 0.115 0.000 0.994 12 E CA 1.086 57.578 56.400 0.154 0.000 0.801 12 E CB -0.114 29.675 29.700 0.147 0.000 0.743 12 E HN 0.714 nan 8.360 nan 0.000 0.453 13 R N -0.376 120.149 120.500 0.042 0.000 2.075 13 R HA -0.088 4.251 4.340 -0.000 0.000 0.232 13 R C 2.407 178.615 176.300 -0.153 0.000 1.126 13 R CA 1.422 57.468 56.100 -0.091 0.000 0.963 13 R CB -0.514 29.739 30.300 -0.079 0.000 0.858 13 R HN 0.252 nan 8.270 nan 0.000 0.435 14 G N 0.629 109.362 108.800 -0.111 0.000 2.440 14 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.218 14 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.218 14 G C 1.405 176.247 174.900 -0.096 0.000 1.154 14 G CA 0.729 45.740 45.100 -0.147 0.000 0.767 14 G HN 0.321 nan 8.290 nan 0.000 0.552 15 R N 0.470 120.954 120.500 -0.026 0.000 2.073 15 R HA 0.021 4.361 4.340 -0.000 0.000 0.234 15 R C 3.039 179.326 176.300 -0.021 0.000 1.134 15 R CA 1.251 57.359 56.100 0.014 0.000 0.952 15 R CB -0.405 29.940 30.300 0.076 0.000 0.850 15 R HN 0.355 nan 8.270 nan 0.000 0.433 16 A N 1.103 123.889 122.820 -0.057 0.000 1.930 16 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 16 A C 2.181 179.658 177.584 -0.178 0.000 1.175 16 A CA 1.017 52.987 52.037 -0.111 0.000 0.627 16 A CB -0.473 18.384 19.000 -0.237 0.000 0.815 16 A HN 0.172 nan 8.150 nan 0.000 0.443 17 L N -1.089 120.003 121.223 -0.218 0.000 2.046 17 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 17 L C 2.572 179.366 176.870 -0.127 0.000 1.077 17 L CA 1.289 56.014 54.840 -0.191 0.000 0.747 17 L CB -0.455 41.489 42.059 -0.193 0.000 0.896 17 L HN 0.488 nan 8.230 nan 0.000 0.432 18 L N -0.296 120.866 121.223 -0.102 0.000 2.027 18 L HA -0.193 4.147 4.340 -0.000 0.000 0.206 18 L C 2.303 179.124 176.870 -0.081 0.000 1.074 18 L CA 1.684 56.471 54.840 -0.089 0.000 0.745 18 L CB -0.420 41.598 42.059 -0.068 0.000 0.898 18 L HN 0.092 nan 8.230 nan 0.000 0.433 19 L N -0.741 120.450 121.223 -0.053 0.000 2.017 19 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 19 L C 2.564 179.416 176.870 -0.031 0.000 1.073 19 L CA 1.652 56.475 54.840 -0.027 0.000 0.745 19 L CB -0.647 41.412 42.059 -0.001 0.000 0.894 19 L HN 0.369 nan 8.230 nan 0.000 0.432 20 E N -0.035 120.136 120.200 -0.048 0.000 2.051 20 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 20 E C 2.187 178.759 176.600 -0.046 0.000 0.991 20 E CA 1.111 57.484 56.400 -0.046 0.000 0.799 20 E CB -0.289 29.367 29.700 -0.072 0.000 0.748 20 E HN 0.553 nan 8.360 nan 0.000 0.449 21 G N 0.597 109.360 108.800 -0.063 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 1.551 176.424 174.900 -0.045 0.000 1.158 21 G CA 0.807 45.872 45.100 -0.058 0.000 0.771 21 G HN 0.388 nan 8.290 nan 0.000 0.545 22 G N 0.608 109.378 108.800 -0.050 0.000 2.446 22 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.217 22 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.217 22 G C 1.802 176.695 174.900 -0.010 0.000 1.168 22 G CA 1.112 46.191 45.100 -0.034 0.000 0.771 22 G HN 0.398 nan 8.290 nan 0.000 0.551 23 K N 0.523 120.918 120.400 -0.008 0.000 2.063 23 K HA -0.050 4.270 4.320 -0.000 0.000 0.208 23 K C 2.949 179.549 176.600 0.000 0.000 1.048 23 K CA 1.092 57.380 56.287 0.002 0.000 0.928 23 K CB -0.330 32.172 32.500 0.002 0.000 0.713 23 K HN 0.268 nan 8.250 nan 0.000 0.442 24 A N 1.182 123.996 122.820 -0.009 0.000 1.978 24 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 24 A C 1.977 179.559 177.584 -0.003 0.000 1.170 24 A CA 1.251 53.283 52.037 -0.008 0.000 0.636 24 A CB -0.450 18.539 19.000 -0.018 0.000 0.810 24 A HN 0.219 nan 8.150 nan 0.000 0.448 25 L N -1.593 119.630 121.223 -0.001 0.000 2.554 25 L HA 0.184 4.523 4.340 -0.000 0.000 0.226 25 L C 1.611 178.492 176.870 0.019 0.000 1.137 25 L CA 0.542 55.387 54.840 0.008 0.000 0.863 25 L CB -0.141 41.922 42.059 0.007 0.000 0.985 25 L HN 0.590 nan 8.230 nan 0.000 0.451 26 G N 0.466 109.276 108.800 0.018 0.000 2.131 26 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.223 26 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.223 26 G C -0.075 174.845 174.900 0.032 0.000 0.990 26 G CA -0.299 44.816 45.100 0.025 0.000 0.671 26 G HN 0.200 nan 8.290 nan 0.000 0.521 27 L N 0.296 121.538 121.223 0.030 0.000 2.334 27 L HA 0.623 4.962 4.340 -0.000 0.000 0.276 27 L C -0.506 176.392 176.870 0.046 0.000 1.014 27 L CA -1.101 53.766 54.840 0.044 0.000 0.815 27 L CB 1.822 43.906 42.059 0.042 0.000 1.268 27 L HN 0.097 nan 8.230 nan 0.000 0.428 28 D N 2.634 123.072 120.400 0.064 0.000 2.443 28 D HA 0.258 4.898 4.640 -0.000 0.000 0.221 28 D C 0.376 176.735 176.300 0.098 0.000 1.097 28 D CA -0.151 53.884 54.000 0.059 0.000 0.865 28 D CB 1.010 41.835 40.800 0.041 0.000 1.034 28 D HN 0.404 nan 8.370 nan 0.000 0.511 29 L N 3.291 124.568 121.223 0.091 0.000 2.591 29 L HA 0.121 4.461 4.340 -0.000 0.000 0.228 29 L C 2.090 179.028 176.870 0.114 0.000 1.133 29 L CA -0.036 54.897 54.840 0.156 0.000 0.880 29 L CB 0.034 42.139 42.059 0.077 0.000 1.033 29 L HN 0.285 nan 8.230 nan 0.000 0.450 30 K N 0.915 121.340 120.400 0.041 0.000 2.063 30 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 30 K C -0.487 176.086 176.600 -0.046 0.000 1.048 30 K CA 1.371 57.663 56.287 0.009 0.000 0.928 30 K CB -0.965 31.534 32.500 -0.003 0.000 0.713 30 K HN 0.280 nan 8.250 nan 0.000 0.442 31 P HA -0.100 nan 4.420 nan 0.000 0.230 31 P C 0.338 177.405 177.300 -0.388 0.000 1.158 31 P CA 1.133 64.048 63.100 -0.309 0.000 0.769 31 P CB 0.142 31.565 31.700 -0.461 0.000 0.807 32 H N -2.493 116.618 119.070 0.068 0.000 2.755 32 H HA 0.214 4.770 4.556 -0.000 0.000 0.273 32 H C 1.565 176.993 175.328 0.166 0.000 1.055 32 H CA -0.388 55.711 56.048 0.084 0.000 1.191 32 H CB -0.015 29.841 29.762 0.157 0.000 1.536 32 H HN 0.022 nan 8.280 nan 0.000 0.529 33 L N 1.701 123.053 121.223 0.216 0.000 2.042 33 L HA -0.168 4.171 4.340 -0.000 0.000 0.210 33 L C 2.051 179.020 176.870 0.165 0.000 1.076 33 L CA 1.754 56.715 54.840 0.200 0.000 0.749 33 L CB -0.121 42.001 42.059 0.104 0.000 0.893 33 L HN 0.100 nan 8.230 nan 0.000 0.432 34 E N -0.624 119.629 120.200 0.088 0.000 2.107 34 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 34 E C 2.247 178.869 176.600 0.036 0.000 0.982 34 E CA 1.162 57.595 56.400 0.054 0.000 0.809 34 E CB -0.602 29.107 29.700 0.016 0.000 0.756 34 E HN 0.543 nan 8.360 nan 0.000 0.459 35 A N 0.711 123.522 122.820 -0.014 0.000 1.902 35 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 35 A C 2.030 179.499 177.584 -0.191 0.000 1.181 35 A CA 1.102 53.057 52.037 -0.137 0.000 0.623 35 A CB -0.782 18.072 19.000 -0.244 0.000 0.818 35 A HN 0.147 nan 8.150 nan 0.000 0.443 36 F N -0.048 119.851 119.950 -0.085 0.000 2.186 36 F HA -0.089 4.438 4.527 -0.000 0.000 0.299 36 F C 2.936 178.790 175.800 0.090 0.000 1.090 36 F CA 1.377 59.261 58.000 -0.193 0.000 1.307 36 F CB -0.485 38.345 39.000 -0.284 0.000 1.019 36 F HN 0.255 nan 8.300 nan 0.000 0.489 37 S N -0.336 115.542 115.700 0.298 0.000 2.368 37 S HA -0.213 4.257 4.470 -0.000 0.000 0.224 37 S C 2.315 177.100 174.600 0.308 0.000 1.029 37 S CA 1.193 59.581 58.200 0.313 0.000 0.988 37 S CB -0.157 63.162 63.200 0.199 0.000 0.838 37 S HN 0.190 nan 8.310 nan 0.000 0.462 38 R N 0.745 121.351 120.500 0.176 0.000 2.075 38 R HA 0.094 4.434 4.340 -0.000 0.000 0.232 38 R C 2.127 178.513 176.300 0.143 0.000 1.126 38 R CA 1.282 57.453 56.100 0.118 0.000 0.963 38 R CB -1.043 29.275 30.300 0.030 0.000 0.858 38 R HN 0.460 nan 8.270 nan 0.000 0.435 39 L N -0.215 121.101 121.223 0.155 0.000 2.093 39 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 39 L C 1.916 179.067 176.870 0.468 0.000 1.085 39 L CA 1.780 56.758 54.840 0.230 0.000 0.755 39 L CB -0.965 41.168 42.059 0.123 0.000 0.904 39 L HN 0.328 nan 8.230 nan 0.000 0.435 40 Y N 0.342 120.933 120.300 0.486 0.000 2.165 40 Y HA -0.230 4.320 4.550 -0.000 0.000 0.286 40 Y C 2.352 178.410 175.900 0.264 0.000 1.155 40 Y CA 1.891 60.253 58.100 0.435 0.000 1.164 40 Y CB -0.654 38.047 38.460 0.401 0.000 0.978 40 Y HN 0.228 nan 8.280 nan 0.000 0.513 41 A N 0.379 123.264 122.820 0.109 0.000 1.933 41 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 41 A C 2.302 179.883 177.584 -0.005 0.000 1.175 41 A CA 1.761 53.782 52.037 -0.026 0.000 0.628 41 A CB -1.091 17.964 19.000 0.092 0.000 0.814 41 A HN 0.573 nan 8.150 nan 0.000 0.444 42 L N -0.794 120.488 121.223 0.098 0.000 2.056 42 L HA -0.158 4.181 4.340 -0.000 0.000 0.207 42 L C 2.536 179.599 176.870 0.322 0.000 1.078 42 L CA 0.963 55.907 54.840 0.174 0.000 0.749 42 L CB -0.563 41.561 42.059 0.109 0.000 0.901 42 L HN 0.365 nan 8.230 nan 0.000 0.433 43 L N -0.820 120.575 121.223 0.286 0.000 2.046 43 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 43 L C 2.850 179.683 176.870 -0.062 0.000 1.077 43 L CA 1.011 55.921 54.840 0.118 0.000 0.747 43 L CB -0.486 41.647 42.059 0.123 0.000 0.896 43 L HN 0.329 nan 8.230 nan 0.000 0.432 44 Q N -0.261 119.427 119.800 -0.187 0.000 2.083 44 Q HA -0.213 4.127 4.340 -0.000 0.000 0.198 44 Q C 1.939 177.884 176.000 -0.092 0.000 0.969 44 Q CA 1.389 57.063 55.803 -0.215 0.000 0.838 44 Q CB -0.209 28.294 28.738 -0.392 0.000 0.900 44 Q HN 0.550 nan 8.270 nan 0.000 0.436 45 E N 0.686 120.861 120.200 -0.041 0.000 2.021 45 E HA -0.125 4.225 4.350 -0.000 0.000 0.200 45 E C 0.628 177.237 176.600 0.015 0.000 1.015 45 E CA 0.889 57.292 56.400 0.004 0.000 0.824 45 E CB -0.125 29.598 29.700 0.037 0.000 0.762 45 E HN 0.242 nan 8.360 nan 0.000 0.454 58 E N 1.477 121.668 120.200 -0.016 0.000 2.106 58 E HA -0.036 4.313 4.350 -0.000 0.000 0.192 58 E C 1.976 178.593 176.600 0.028 0.000 0.984 58 E CA 1.911 58.313 56.400 0.003 0.000 0.806 58 E CB -0.120 29.598 29.700 0.030 0.000 0.750 58 E HN 0.606 nan 8.360 nan 0.000 0.458 59 E N 0.238 120.458 120.200 0.035 0.000 2.077 59 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 59 E C 2.013 178.516 176.600 -0.160 0.000 0.989 59 E CA 1.316 57.688 56.400 -0.046 0.000 0.800 59 E CB -0.162 29.448 29.700 -0.149 0.000 0.746 59 E HN 0.404 nan 8.360 nan 0.000 0.452 60 E N -0.161 119.955 120.200 -0.140 0.000 2.110 60 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 60 E C 2.084 178.562 176.600 -0.204 0.000 0.988 60 E CA 1.101 57.401 56.400 -0.167 0.000 0.804 60 E CB 0.177 29.796 29.700 -0.135 0.000 0.745 60 E HN 0.171 nan 8.360 nan 0.000 0.458 61 V N 0.429 120.230 119.914 -0.188 0.000 2.287 61 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 61 V C 2.379 178.249 176.094 -0.374 0.000 1.053 61 V CA 1.483 63.621 62.300 -0.270 0.000 1.027 61 V CB -0.260 31.450 31.823 -0.188 0.000 0.646 61 V HN 0.214 nan 8.190 nan 0.000 0.447 62 V N -0.464 119.300 119.914 -0.251 0.000 2.307 62 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 62 V C 2.418 178.129 176.094 -0.639 0.000 1.045 62 V CA 1.803 63.893 62.300 -0.350 0.000 1.024 62 V CB -0.389 31.341 31.823 -0.156 0.000 0.651 62 V HN 0.407 nan 8.190 nan 0.000 0.449 63 V N -0.209 119.422 119.914 -0.472 0.000 2.392 63 V HA -0.313 3.806 4.120 -0.000 0.000 0.249 63 V C 2.425 178.380 176.094 -0.232 0.000 1.059 63 V CA 2.077 64.177 62.300 -0.333 0.000 1.051 63 V CB -0.741 30.961 31.823 -0.201 0.000 0.658 63 V HN 0.540 nan 8.190 nan 0.000 0.455 64 K N -1.294 118.940 120.400 -0.276 0.000 2.148 64 K HA -0.148 4.172 4.320 -0.000 0.000 0.204 64 K C 2.171 178.646 176.600 -0.207 0.000 1.050 64 K CA 1.139 57.281 56.287 -0.240 0.000 0.942 64 K CB -0.218 32.114 32.500 -0.281 0.000 0.724 64 K HN 0.550 nan 8.250 nan 0.000 0.446 65 H N -0.292 118.647 119.070 -0.219 0.000 2.357 65 H HA -0.069 4.487 4.556 -0.000 0.000 0.301 65 H C 2.017 177.390 175.328 0.074 0.000 1.082 65 H CA 1.059 56.982 56.048 -0.209 0.000 1.342 65 H CB -0.198 29.245 29.762 -0.532 0.000 1.389 65 H HN 0.088 nan 8.280 nan 0.000 0.511 66 F N 0.994 121.043 119.950 0.164 0.000 2.065 66 F HA -0.182 4.344 4.527 -0.000 0.000 0.298 66 F C 2.726 178.539 175.800 0.023 0.000 1.112 66 F CA 0.795 58.891 58.000 0.161 0.000 1.212 66 F CB -1.257 37.706 39.000 -0.061 0.000 0.975 66 F HN 0.044 nan 8.300 nan 0.000 0.476 67 L N -0.566 120.740 121.223 0.140 0.000 2.093 67 L HA -0.204 4.135 4.340 -0.000 0.000 0.208 67 L C 2.186 179.087 176.870 0.052 0.000 1.085 67 L CA 1.564 56.425 54.840 0.035 0.000 0.755 67 L CB -0.708 41.337 42.059 -0.023 0.000 0.904 67 L HN 0.078 nan 8.230 nan 0.000 0.435 68 D N -0.214 120.226 120.400 0.066 0.000 2.104 68 D HA -0.177 4.463 4.640 -0.000 0.000 0.194 68 D C 2.223 178.586 176.300 0.104 0.000 0.994 68 D CA 1.576 55.619 54.000 0.072 0.000 0.830 68 D CB 0.139 40.987 40.800 0.081 0.000 0.959 68 D HN 0.097 nan 8.370 nan 0.000 0.452 69 S N -0.535 115.268 115.700 0.171 0.000 2.382 69 S HA -0.082 4.388 4.470 -0.000 0.000 0.228 69 S C 1.994 176.635 174.600 0.068 0.000 1.027 69 S CA 0.568 58.865 58.200 0.161 0.000 0.991 69 S CB -0.254 63.122 63.200 0.293 0.000 0.823 69 S HN 0.340 nan 8.310 nan 0.000 0.469 70 L N 1.813 123.076 121.223 0.067 0.000 2.465 70 L HA -0.040 4.300 4.340 -0.000 0.000 0.224 70 L C 2.632 179.508 176.870 0.010 0.000 1.145 70 L CA 1.125 55.972 54.840 0.011 0.000 0.834 70 L CB -1.076 40.984 42.059 0.002 0.000 0.944 70 L HN 0.475 nan 8.230 nan 0.000 0.451 71 T N -2.638 111.936 114.554 0.032 0.000 2.977 71 T HA -0.166 4.184 4.350 -0.000 0.000 0.271 71 T C 1.770 176.516 174.700 0.076 0.000 1.105 71 T CA 0.710 62.837 62.100 0.045 0.000 1.116 71 T CB -0.399 68.495 68.868 0.043 0.000 0.878 71 T HN 0.287 nan 8.240 nan 0.000 0.509 72 L N -0.392 120.866 121.223 0.057 0.000 2.129 72 L HA -0.042 4.298 4.340 -0.000 0.000 0.212 72 L C 2.183 179.216 176.870 0.271 0.000 1.087 72 L CA 0.922 55.841 54.840 0.132 0.000 0.757 72 L CB -0.569 41.422 42.059 -0.113 0.000 0.896 72 L HN 0.299 nan 8.230 nan 0.000 0.434 73 L N -0.706 120.584 121.223 0.112 0.000 2.610 73 L HA -0.032 4.307 4.340 -0.000 0.000 0.232 73 L C 2.138 179.124 176.870 0.194 0.000 1.149 73 L CA 0.746 55.701 54.840 0.193 0.000 0.872 73 L CB -0.472 41.632 42.059 0.075 0.000 0.992 73 L HN 0.082 nan 8.230 nan 0.000 0.447 74 R N -0.271 120.323 120.500 0.156 0.000 2.323 74 R HA 0.211 4.551 4.340 -0.000 0.000 0.198 74 R C -0.003 176.369 176.300 0.120 0.000 0.988 74 R CA 0.291 56.459 56.100 0.112 0.000 1.041 74 R CB -0.432 29.914 30.300 0.076 0.000 0.926 74 R HN 0.278 nan 8.270 nan 0.000 0.476 75 L N 2.251 123.583 121.223 0.182 0.000 2.341 75 L HA 0.359 4.699 4.340 -0.000 0.000 0.278 75 L C -2.027 174.892 176.870 0.081 0.000 1.005 75 L CA -2.054 52.853 54.840 0.111 0.000 0.818 75 L CB 2.573 44.692 42.059 0.099 0.000 1.259 75 L HN -0.254 nan 8.230 nan 0.000 0.418 76 P HA 0.159 nan 4.420 nan 0.000 0.218 76 P C 0.314 177.511 177.300 -0.172 0.000 1.793 76 P CA 0.076 63.165 63.100 -0.018 0.000 0.941 76 P CB 0.077 31.775 31.700 -0.005 0.000 1.919 77 L N -1.808 119.122 121.223 -0.488 0.000 2.640 77 L HA 0.264 4.604 4.340 -0.000 0.000 0.230 77 L C 0.450 176.811 176.870 -0.848 0.000 1.123 77 L CA 0.195 54.537 54.840 -0.830 0.000 0.900 77 L CB -0.004 41.280 42.059 -1.293 0.000 1.146 77 L HN 0.157 nan 8.230 nan 0.000 0.484 78 W N -0.549 120.765 121.300 0.023 0.000 2.145 78 W HA 0.352 5.012 4.660 -0.000 0.000 0.370 78 W C 0.405 176.935 176.519 0.019 0.000 0.850 78 W CA -0.634 56.724 57.345 0.021 0.000 2.615 78 W CB 0.367 29.839 29.460 0.019 0.000 1.376 78 W HN -0.126 nan 8.180 nan 0.000 0.654 79 Q N 1.188 121.062 119.800 0.124 0.000 2.256 79 Q HA 0.597 4.936 4.340 -0.000 0.000 0.254 79 Q C 0.703 176.748 176.000 0.076 0.000 0.916 79 Q CA 0.780 56.638 55.803 0.090 0.000 0.932 79 Q CB 1.178 29.942 28.738 0.043 0.000 1.207 79 Q HN 0.375 nan 8.270 nan 0.000 0.426 80 G N 4.334 113.177 108.800 0.072 0.000 2.741 80 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.222 80 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.222 80 G C -2.342 172.597 174.900 0.065 0.000 1.364 80 G CA -0.405 44.729 45.100 0.056 0.000 0.866 80 G HN 0.644 nan 8.290 nan 0.000 0.555 81 P HA 0.327 nan 4.420 nan 0.000 0.212 81 P C 0.431 177.766 177.300 0.058 0.000 1.816 81 P CA -0.278 62.852 63.100 0.050 0.000 0.944 81 P CB -0.422 31.297 31.700 0.031 0.000 1.896 82 L N 0.553 121.827 121.223 0.085 0.000 2.456 82 L HA 0.219 4.559 4.340 -0.000 0.000 0.272 82 L C 1.370 178.312 176.870 0.119 0.000 1.189 82 L CA -0.269 54.629 54.840 0.097 0.000 0.846 82 L CB 0.355 42.488 42.059 0.125 0.000 1.111 82 L HN 0.106 nan 8.230 nan 0.000 0.475 83 R N 2.137 122.704 120.500 0.111 0.000 2.267 83 R HA 0.449 4.789 4.340 -0.000 0.000 0.319 83 R C -1.276 175.211 176.300 0.312 0.000 1.067 83 R CA -0.335 55.857 56.100 0.153 0.000 0.936 83 R CB 0.697 31.008 30.300 0.018 0.000 1.006 83 R HN 0.443 nan 8.270 nan 0.000 0.452 84 V N 6.165 126.278 119.914 0.332 0.000 2.604 84 V HA 0.340 4.460 4.120 -0.000 0.000 0.305 84 V C -0.819 175.359 176.094 0.140 0.000 1.043 84 V CA -0.995 61.473 62.300 0.280 0.000 0.888 84 V CB 1.715 33.678 31.823 0.234 0.000 0.995 84 V HN 0.601 nan 8.190 nan 0.000 0.429 85 L N 3.647 124.788 121.223 -0.136 0.000 2.280 85 L HA 0.648 4.988 4.340 -0.000 0.000 0.287 85 L C -0.515 176.203 176.870 -0.253 0.000 1.023 85 L CA 0.110 54.675 54.840 -0.459 0.000 0.819 85 L CB 1.365 42.747 42.059 -1.128 0.000 1.212 85 L HN 0.694 nan 8.230 nan 0.000 0.420 86 D N 4.794 125.081 120.400 -0.189 0.000 2.396 86 D HA 0.222 4.862 4.640 -0.000 0.000 0.225 86 D C -1.064 175.142 176.300 -0.157 0.000 1.121 86 D CA -0.218 53.705 54.000 -0.128 0.000 0.853 86 D CB 0.876 41.623 40.800 -0.088 0.000 1.043 86 D HN 0.466 nan 8.370 nan 0.000 0.500 87 L N 3.703 124.834 121.223 -0.154 0.000 2.265 87 L HA 0.530 4.870 4.340 -0.000 0.000 0.288 87 L C 1.058 177.894 176.870 -0.057 0.000 1.058 87 L CA 0.394 55.143 54.840 -0.152 0.000 0.809 87 L CB 1.090 43.053 42.059 -0.161 0.000 1.179 87 L HN 0.640 nan 8.230 nan 0.000 0.429 88 G N 2.606 111.384 108.800 -0.035 0.000 2.289 88 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.280 88 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.280 88 G C 0.774 175.682 174.900 0.014 0.000 1.089 88 G CA 0.594 45.696 45.100 0.004 0.000 0.939 88 G HN 0.842 nan 8.290 nan 0.000 0.499 89 T N -0.792 113.767 114.554 0.009 0.000 2.929 89 T HA 0.297 4.647 4.350 -0.000 0.000 0.271 89 T C 2.545 177.285 174.700 0.068 0.000 1.085 89 T CA 2.577 64.692 62.100 0.025 0.000 1.125 89 T CB -0.547 68.320 68.868 -0.003 0.000 0.874 89 T HN 2.404 nan 8.240 nan 0.000 0.494 90 G N 0.670 109.502 108.800 0.054 0.000 2.591 90 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.298 90 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.298 90 G C 1.030 175.979 174.900 0.083 0.000 1.195 90 G CA 0.299 45.430 45.100 0.052 0.000 0.989 90 G HN 1.146 nan 8.290 nan 0.000 0.551 91 A N 0.670 123.562 122.820 0.121 0.000 2.276 91 A HA 0.586 4.906 4.320 -0.000 0.000 0.212 91 A C 1.989 179.738 177.584 0.275 0.000 1.230 91 A CA 1.673 53.806 52.037 0.159 0.000 0.844 91 A CB -0.885 18.070 19.000 -0.074 0.000 0.860 91 A HN 2.854 nan 8.150 nan 0.000 0.486 92 G N -1.467 107.404 108.800 0.118 0.000 2.327 92 G HA2 -0.101 3.858 3.960 -0.000 0.000 0.159 92 G HA3 -0.101 3.858 3.960 -0.000 0.000 0.159 92 G C -0.450 174.125 174.900 -0.542 0.000 1.056 92 G CA -0.443 44.549 45.100 -0.179 0.000 0.751 92 G HN 0.318 nan 8.290 nan 0.000 0.488 93 F N -0.269 119.697 119.950 0.026 0.000 2.547 93 F HA 0.566 5.093 4.527 -0.000 0.000 0.316 93 F C -1.476 174.321 175.800 -0.005 0.000 1.121 93 F CA -2.283 55.730 58.000 0.022 0.000 0.911 93 F CB 2.602 41.607 39.000 0.008 0.000 1.179 93 F HN -0.096 nan 8.300 nan 0.000 0.443 94 P HA 0.102 nan 4.420 nan 0.000 0.255 94 P C 1.269 178.534 177.300 -0.059 0.000 1.248 94 P CA 0.454 63.617 63.100 0.105 0.000 0.807 94 P CB 0.338 32.071 31.700 0.055 0.000 1.150 95 G N 1.039 109.773 108.800 -0.111 0.000 2.440 95 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.218 95 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.218 95 G C 1.488 176.263 174.900 -0.208 0.000 1.154 95 G CA 0.443 45.447 45.100 -0.159 0.000 0.767 95 G HN 0.227 nan 8.290 nan 0.000 0.552 96 L N 0.659 121.711 121.223 -0.285 0.000 2.044 96 L HA -0.008 4.332 4.340 -0.000 0.000 0.205 96 L C 0.054 176.745 176.870 -0.299 0.000 1.075 96 L CA 0.927 55.577 54.840 -0.317 0.000 0.747 96 L CB -1.045 40.770 42.059 -0.406 0.000 0.903 96 L HN 0.177 nan 8.230 nan 0.000 0.435 97 P HA -0.188 nan 4.420 nan 0.000 0.217 97 P C 1.744 178.987 177.300 -0.095 0.000 1.150 97 P CA 1.057 64.149 63.100 -0.013 0.000 0.832 97 P CB 0.061 31.924 31.700 0.271 0.000 0.787 98 L N 0.270 121.395 121.223 -0.164 0.000 2.012 98 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 98 L C 2.256 178.978 176.870 -0.248 0.000 1.073 98 L CA 2.136 56.817 54.840 -0.266 0.000 0.748 98 L CB -1.166 40.659 42.059 -0.390 0.000 0.891 98 L HN -0.222 nan 8.230 nan 0.000 0.431 99 K N 0.035 120.299 120.400 -0.226 0.000 2.057 99 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 99 K C 1.944 178.407 176.600 -0.228 0.000 1.050 99 K CA 1.868 58.040 56.287 -0.193 0.000 0.935 99 K CB -0.552 31.845 32.500 -0.171 0.000 0.715 99 K HN 0.479 nan 8.250 nan 0.000 0.439 100 I N -0.078 120.302 120.570 -0.318 0.000 2.208 100 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 100 I C 1.735 177.536 176.117 -0.526 0.000 1.097 100 I CA 1.129 62.169 61.300 -0.433 0.000 1.363 100 I CB -0.058 37.513 38.000 -0.715 0.000 1.051 100 I HN -0.047 nan 8.210 nan 0.000 0.413 101 V N -0.172 119.476 119.914 -0.444 0.000 3.506 101 V HA 0.097 4.217 4.120 -0.000 0.000 0.263 101 V C 0.782 176.760 176.094 -0.193 0.000 1.203 101 V CA 0.634 62.661 62.300 -0.454 0.000 1.133 101 V CB -0.377 31.306 31.823 -0.233 0.000 0.802 101 V HN 0.265 nan 8.190 nan 0.000 0.459 102 R N 0.503 120.912 120.500 -0.153 0.000 2.585 102 R HA 0.288 4.628 4.340 -0.000 0.000 0.278 102 R C -2.265 174.006 176.300 -0.048 0.000 1.663 102 R CA -1.719 54.346 56.100 -0.058 0.000 1.592 102 R CB 0.854 31.137 30.300 -0.028 0.000 1.200 102 R HN 0.227 nan 8.270 nan 0.000 0.611 103 P HA -0.088 nan 4.420 nan 0.000 0.222 103 P C 0.590 177.886 177.300 -0.007 0.000 1.147 103 P CA 1.020 64.101 63.100 -0.031 0.000 0.790 103 P CB 0.454 32.150 31.700 -0.007 0.000 0.780 104 E N -0.579 119.629 120.200 0.015 0.000 2.347 104 E HA -0.007 4.343 4.350 -0.000 0.000 0.196 104 E C 0.527 177.150 176.600 0.037 0.000 1.008 104 E CA -0.058 56.358 56.400 0.027 0.000 0.852 104 E CB -0.293 29.430 29.700 0.039 0.000 0.783 104 E HN 0.301 nan 8.360 nan 0.000 0.505 105 L N 2.475 123.724 121.223 0.042 0.000 2.499 105 L HA 0.001 4.341 4.340 -0.000 0.000 0.273 105 L C 0.580 177.477 176.870 0.045 0.000 1.195 105 L CA 0.127 55.007 54.840 0.066 0.000 0.882 105 L CB 0.276 42.377 42.059 0.071 0.000 1.133 105 L HN -0.048 nan 8.230 nan 0.000 0.483 106 E N 4.097 124.336 120.200 0.065 0.000 2.001 106 E HA 0.242 4.592 4.350 -0.000 0.000 0.279 106 E C -0.768 175.885 176.600 0.089 0.000 1.045 106 E CA -0.508 55.927 56.400 0.058 0.000 0.833 106 E CB 1.425 31.156 29.700 0.052 0.000 1.077 106 E HN 0.239 nan 8.360 nan 0.000 0.397 107 L N 3.865 125.123 121.223 0.058 0.000 2.307 107 L HA 0.332 4.672 4.340 -0.000 0.000 0.284 107 L C -0.961 175.949 176.870 0.067 0.000 1.023 107 L CA -0.773 54.100 54.840 0.055 0.000 0.810 107 L CB 1.710 43.763 42.059 -0.010 0.000 1.231 107 L HN 0.105 nan 8.230 nan 0.000 0.423 108 V N 6.419 126.389 119.914 0.093 0.000 2.409 108 V HA 0.439 4.559 4.120 -0.000 0.000 0.291 108 V C -0.520 175.555 176.094 -0.032 0.000 1.020 108 V CA -0.503 61.842 62.300 0.075 0.000 0.848 108 V CB 1.482 33.428 31.823 0.204 0.000 0.990 108 V HN 0.536 nan 8.190 nan 0.000 0.430 109 L N 6.112 127.316 121.223 -0.031 0.000 2.280 109 L HA 0.602 4.941 4.340 -0.000 0.000 0.287 109 L C -0.202 176.643 176.870 -0.042 0.000 1.023 109 L CA -0.209 54.596 54.840 -0.057 0.000 0.819 109 L CB 1.628 43.658 42.059 -0.049 0.000 1.212 109 L HN 0.349 nan 8.230 nan 0.000 0.420 110 V N 2.288 122.155 119.914 -0.078 0.000 2.483 110 V HA 0.549 4.669 4.120 -0.000 0.000 0.295 110 V C -0.480 175.615 176.094 0.002 0.000 1.035 110 V CA -0.432 61.838 62.300 -0.050 0.000 0.896 110 V CB 1.832 33.571 31.823 -0.140 0.000 0.986 110 V HN 0.741 nan 8.190 nan 0.000 0.447 111 D N 2.265 122.710 120.400 0.074 0.000 2.753 111 D HA 0.484 5.124 4.640 -0.000 0.000 0.224 111 D C 0.283 176.718 176.300 0.225 0.000 1.213 111 D CA -0.247 53.816 54.000 0.105 0.000 0.833 111 D CB 2.794 43.641 40.800 0.079 0.000 1.607 111 D HN 0.510 nan 8.370 nan 0.000 0.463 112 A N 1.755 124.693 122.820 0.197 0.000 2.208 112 A HA 0.139 4.459 4.320 -0.000 0.000 0.209 112 A C 0.793 178.630 177.584 0.422 0.000 1.161 112 A CA 0.673 52.874 52.037 0.273 0.000 0.782 112 A CB 0.113 19.197 19.000 0.141 0.000 0.816 112 A HN 0.380 nan 8.150 nan 0.000 0.477 113 T N -0.093 114.607 114.554 0.242 0.000 2.743 113 T HA 0.307 4.657 4.350 -0.000 0.000 0.292 113 T C 1.116 175.726 174.700 -0.150 0.000 0.972 113 T CA -0.409 61.753 62.100 0.104 0.000 0.967 113 T CB 1.538 70.428 68.868 0.037 0.000 0.926 113 T HN 0.388 nan 8.240 nan 0.000 0.459 114 R N 3.870 124.085 120.500 -0.474 0.000 2.096 114 R HA -0.071 4.269 4.340 -0.000 0.000 0.240 114 R C 2.081 178.095 176.300 -0.477 0.000 1.139 114 R CA 1.821 57.299 56.100 -1.037 0.000 0.952 114 R CB -0.241 29.312 30.300 -1.244 0.000 0.854 114 R HN 0.538 nan 8.270 nan 0.000 0.436 115 K N -0.218 120.020 120.400 -0.270 0.000 2.103 115 K HA -0.158 4.161 4.320 -0.000 0.000 0.207 115 K C 1.666 178.229 176.600 -0.062 0.000 1.048 115 K CA 1.525 57.729 56.287 -0.139 0.000 0.930 115 K CB 0.039 32.485 32.500 -0.090 0.000 0.716 115 K HN 0.036 nan 8.250 nan 0.000 0.444 116 K N 0.350 120.715 120.400 -0.058 0.000 2.026 116 K HA -0.095 4.225 4.320 -0.000 0.000 0.208 116 K C 2.144 178.773 176.600 0.048 0.000 1.048 116 K CA 1.005 57.300 56.287 0.014 0.000 0.929 116 K CB -0.713 31.793 32.500 0.009 0.000 0.713 116 K HN 0.019 nan 8.250 nan 0.000 0.439 117 V N 1.875 121.769 119.914 -0.034 0.000 2.287 117 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 117 V C 2.509 178.588 176.094 -0.026 0.000 1.053 117 V CA 2.055 64.341 62.300 -0.023 0.000 1.027 117 V CB -0.948 30.843 31.823 -0.053 0.000 0.646 117 V HN 0.306 nan 8.190 nan 0.000 0.447 118 A N -0.495 122.283 122.820 -0.070 0.000 1.908 118 A HA -0.267 4.052 4.320 -0.000 0.000 0.218 118 A C 2.125 179.708 177.584 -0.002 0.000 1.181 118 A CA 2.165 54.169 52.037 -0.054 0.000 0.627 118 A CB -0.759 18.192 19.000 -0.081 0.000 0.818 118 A HN 0.540 nan 8.150 nan 0.000 0.445 119 F N 0.739 120.646 119.950 -0.071 0.000 2.102 119 F HA -0.171 4.356 4.527 -0.000 0.000 0.298 119 F C 2.235 178.007 175.800 -0.046 0.000 1.105 119 F CA 2.076 60.048 58.000 -0.047 0.000 1.239 119 F CB -0.274 38.709 39.000 -0.028 0.000 0.991 119 F HN 0.034 nan 8.300 nan 0.000 0.474 120 V N 0.501 120.441 119.914 0.043 0.000 2.343 120 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 120 V C 2.226 178.229 176.094 -0.151 0.000 1.051 120 V CA 2.231 64.493 62.300 -0.064 0.000 1.036 120 V CB -0.803 31.029 31.823 0.014 0.000 0.654 120 V HN 0.348 nan 8.190 nan 0.000 0.451 121 E N 0.099 120.236 120.200 -0.105 0.000 2.070 121 E HA -0.323 4.027 4.350 -0.000 0.000 0.197 121 E C 2.388 178.898 176.600 -0.150 0.000 1.004 121 E CA 1.825 58.164 56.400 -0.101 0.000 0.805 121 E CB -0.241 29.419 29.700 -0.068 0.000 0.744 121 E HN 0.399 nan 8.360 nan 0.000 0.451 122 R N 0.964 121.340 120.500 -0.206 0.000 2.092 122 R HA -0.077 4.263 4.340 -0.000 0.000 0.231 122 R C 1.985 178.112 176.300 -0.287 0.000 1.119 122 R CA 1.571 57.533 56.100 -0.230 0.000 0.970 122 R CB -0.515 29.637 30.300 -0.246 0.000 0.864 122 R HN 0.152 nan 8.270 nan 0.000 0.440 123 A N 0.530 123.098 122.820 -0.419 0.000 1.902 123 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 123 A C 2.272 179.716 177.584 -0.233 0.000 1.181 123 A CA 1.575 53.388 52.037 -0.374 0.000 0.623 123 A CB -0.576 18.153 19.000 -0.451 0.000 0.818 123 A HN 0.378 nan 8.150 nan 0.000 0.443 124 I N -0.592 119.859 120.570 -0.198 0.000 2.163 124 I HA -0.294 3.876 4.170 -0.000 0.000 0.243 124 I C 2.612 178.656 176.117 -0.122 0.000 1.085 124 I CA 1.964 63.177 61.300 -0.145 0.000 1.347 124 I CB -0.283 37.650 38.000 -0.112 0.000 1.044 124 I HN 0.565 nan 8.210 nan 0.000 0.408 125 E N 0.693 120.822 120.200 -0.117 0.000 2.031 125 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 125 E C 2.308 178.852 176.600 -0.094 0.000 0.994 125 E CA 1.763 58.107 56.400 -0.093 0.000 0.800 125 E CB 0.086 29.734 29.700 -0.087 0.000 0.752 125 E HN 0.247 nan 8.360 nan 0.000 0.447 126 V N 1.353 121.198 119.914 -0.115 0.000 2.343 126 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 126 V C 2.373 178.412 176.094 -0.092 0.000 1.051 126 V CA 1.456 63.696 62.300 -0.099 0.000 1.036 126 V CB -0.352 31.403 31.823 -0.113 0.000 0.654 126 V HN 0.382 nan 8.190 nan 0.000 0.451 127 L N 0.218 121.372 121.223 -0.115 0.000 2.478 127 L HA 0.173 4.513 4.340 -0.000 0.000 0.223 127 L C 1.695 178.507 176.870 -0.097 0.000 1.140 127 L CA 0.889 55.660 54.840 -0.115 0.000 0.842 127 L CB -0.848 41.115 42.059 -0.160 0.000 0.953 127 L HN 0.602 nan 8.230 nan 0.000 0.452 128 G N 1.212 109.960 108.800 -0.086 0.000 2.246 128 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.273 128 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.273 128 G C 0.170 175.027 174.900 -0.071 0.000 1.055 128 G CA -0.154 44.905 45.100 -0.069 0.000 0.851 128 G HN 0.255 nan 8.290 nan 0.000 0.500 129 L N -0.224 120.946 121.223 -0.088 0.000 2.416 129 L HA 0.377 4.717 4.340 -0.000 0.000 0.272 129 L C 0.526 177.359 176.870 -0.063 0.000 1.161 129 L CA -0.121 54.667 54.840 -0.087 0.000 0.845 129 L CB 0.576 42.567 42.059 -0.112 0.000 1.119 129 L HN -0.028 nan 8.230 nan 0.000 0.464 130 K N 1.705 122.074 120.400 -0.050 0.000 2.207 130 K HA 0.441 4.761 4.320 -0.000 0.000 0.255 130 K C 0.515 177.098 176.600 -0.029 0.000 0.941 130 K CA -0.298 55.968 56.287 -0.035 0.000 0.825 130 K CB 1.758 34.242 32.500 -0.026 0.000 1.119 130 K HN 0.780 nan 8.250 nan 0.000 0.430 131 G N 0.673 109.461 108.800 -0.019 0.000 2.225 131 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.264 131 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.264 131 G C -0.230 174.664 174.900 -0.010 0.000 1.060 131 G CA 0.288 45.382 45.100 -0.009 0.000 0.833 131 G HN 0.790 nan 8.290 nan 0.000 0.498 132 A N -0.315 122.494 122.820 -0.019 0.000 2.398 132 A HA 0.919 5.239 4.320 -0.000 0.000 0.301 132 A C -0.088 177.489 177.584 -0.013 0.000 1.041 132 A CA -0.642 51.382 52.037 -0.022 0.000 0.711 132 A CB 1.425 20.391 19.000 -0.056 0.000 1.240 132 A HN 0.517 nan 8.150 nan 0.000 0.420 133 R N 0.951 121.455 120.500 0.007 0.000 2.575 133 R HA 0.667 5.007 4.340 -0.000 0.000 0.293 133 R C -0.405 175.907 176.300 0.019 0.000 0.983 133 R CA -0.529 55.583 56.100 0.019 0.000 0.887 133 R CB 2.405 32.735 30.300 0.051 0.000 1.184 133 R HN 0.908 nan 8.270 nan 0.000 0.445 134 A N 2.865 125.693 122.820 0.013 0.000 2.310 134 A HA 0.613 4.932 4.320 -0.000 0.000 0.299 134 A C -1.098 176.522 177.584 0.061 0.000 1.147 134 A CA -0.392 51.658 52.037 0.022 0.000 0.818 134 A CB 0.746 19.749 19.000 0.006 0.000 1.096 134 A HN 0.486 nan 8.150 nan 0.000 0.495 135 L N 2.070 123.339 121.223 0.077 0.000 2.470 135 L HA 0.606 4.946 4.340 -0.000 0.000 0.268 135 L C -1.638 175.340 176.870 0.181 0.000 0.964 135 L CA -0.379 54.532 54.840 0.118 0.000 0.839 135 L CB 1.617 43.727 42.059 0.083 0.000 1.276 135 L HN 0.786 nan 8.230 nan 0.000 0.403 136 W N 6.507 127.809 121.300 0.003 0.000 2.358 136 W HA 0.708 5.368 4.660 -0.000 0.000 0.307 136 W C 0.052 176.572 176.519 0.000 0.000 1.203 136 W CA -0.050 57.297 57.345 0.003 0.000 1.279 136 W CB 0.837 30.304 29.460 0.012 0.000 1.264 136 W HN 0.838 nan 8.180 nan 0.000 0.474 137 G N 5.101 113.940 108.800 0.066 0.000 2.451 137 G HA2 0.386 4.346 3.960 -0.000 0.000 0.292 137 G HA3 0.386 4.346 3.960 -0.000 0.000 0.292 137 G C -1.678 173.202 174.900 -0.033 0.000 1.427 137 G CA -1.224 43.814 45.100 -0.102 0.000 0.792 137 G HN 0.197 nan 8.290 nan 0.000 0.498 138 R N 0.178 120.651 120.500 -0.046 0.000 2.346 138 R HA 0.611 4.951 4.340 -0.000 0.000 0.311 138 R C 1.282 177.615 176.300 0.055 0.000 0.983 138 R CA 0.030 56.133 56.100 0.005 0.000 0.880 138 R CB 1.480 31.772 30.300 -0.012 0.000 1.100 138 R HN 0.713 nan 8.270 nan 0.000 0.453 139 A N 3.363 126.245 122.820 0.103 0.000 1.892 139 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 139 A C 1.598 179.280 177.584 0.164 0.000 1.188 139 A CA 1.725 53.907 52.037 0.241 0.000 0.631 139 A CB -0.195 18.954 19.000 0.248 0.000 0.822 139 A HN 0.757 nan 8.150 nan 0.000 0.447 140 E N -0.572 119.674 120.200 0.077 0.000 2.204 140 E HA -0.086 4.264 4.350 -0.000 0.000 0.195 140 E C 1.856 178.460 176.600 0.006 0.000 0.990 140 E CA 1.225 57.642 56.400 0.027 0.000 0.821 140 E CB -0.249 29.468 29.700 0.028 0.000 0.750 140 E HN 0.427 nan 8.360 nan 0.000 0.477 141 V N 0.287 120.212 119.914 0.019 0.000 2.426 141 V HA -0.119 4.001 4.120 -0.000 0.000 0.242 141 V C 2.105 178.219 176.094 0.033 0.000 1.036 141 V CA 0.983 63.288 62.300 0.009 0.000 1.044 141 V CB -0.372 31.445 31.823 -0.011 0.000 0.688 141 V HN 0.227 nan 8.190 nan 0.000 0.462 142 L N 0.694 121.959 121.223 0.070 0.000 2.079 142 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 142 L C 2.472 179.438 176.870 0.160 0.000 1.081 142 L CA 1.595 56.509 54.840 0.124 0.000 0.752 142 L CB -0.716 41.385 42.059 0.070 0.000 0.896 142 L HN 0.378 nan 8.230 nan 0.000 0.433 143 A N -0.172 122.602 122.820 -0.076 0.000 2.239 143 A HA -0.043 4.277 4.320 -0.000 0.000 0.209 143 A C 1.838 179.325 177.584 -0.162 0.000 1.171 143 A CA 0.594 52.367 52.037 -0.441 0.000 0.768 143 A CB -0.360 18.133 19.000 -0.846 0.000 0.790 143 A HN 0.403 nan 8.150 nan 0.000 0.478 144 R N 0.108 120.584 120.500 -0.040 0.000 2.577 144 R HA 0.175 4.515 4.340 -0.000 0.000 0.344 144 R C -0.763 175.556 176.300 0.032 0.000 1.037 144 R CA -0.072 56.021 56.100 -0.013 0.000 1.102 144 R CB 0.526 30.814 30.300 -0.020 0.000 1.313 144 R HN 0.527 nan 8.270 nan 0.000 0.561 145 E N 0.459 120.713 120.200 0.090 0.000 2.191 145 E HA 0.326 4.675 4.350 -0.000 0.000 0.278 145 E C 0.278 176.934 176.600 0.094 0.000 0.972 145 E CA -0.330 56.139 56.400 0.114 0.000 0.804 145 E CB 1.765 31.594 29.700 0.215 0.000 1.110 145 E HN 0.054 nan 8.360 nan 0.000 0.394 146 A N 3.117 125.961 122.820 0.041 0.000 2.019 146 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 146 A C 2.016 179.588 177.584 -0.020 0.000 1.164 146 A CA 1.730 53.774 52.037 0.013 0.000 0.644 146 A CB -0.749 18.248 19.000 -0.004 0.000 0.805 146 A HN 0.779 nan 8.150 nan 0.000 0.449 147 G N -2.043 106.719 108.800 -0.063 0.000 2.470 147 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.220 147 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.220 147 G C 1.385 176.067 174.900 -0.364 0.000 1.121 147 G CA 1.170 46.126 45.100 -0.241 0.000 0.766 147 G HN 0.722 nan 8.290 nan 0.000 0.553 148 H N -1.272 117.898 119.070 0.165 0.000 2.926 148 H HA 0.194 4.750 4.556 -0.000 0.000 0.249 148 H C 1.010 176.566 175.328 0.379 0.000 0.963 148 H CA -0.447 55.831 56.048 0.385 0.000 1.158 148 H CB 0.570 30.679 29.762 0.579 0.000 1.445 148 H HN 0.189 nan 8.280 nan 0.000 0.452 149 R N 2.530 123.186 120.500 0.260 0.000 2.458 149 R HA -0.058 4.282 4.340 -0.000 0.000 0.303 149 R C -0.189 176.187 176.300 0.127 0.000 1.013 149 R CA 0.454 56.620 56.100 0.109 0.000 1.026 149 R CB -0.055 30.256 30.300 0.019 0.000 0.948 149 R HN 0.350 nan 8.270 nan 0.000 0.417 150 E N 1.615 121.911 120.200 0.161 0.000 2.539 150 E HA -0.290 4.060 4.350 -0.000 0.000 0.253 150 E C -0.114 176.556 176.600 0.116 0.000 1.145 150 E CA 0.633 57.116 56.400 0.138 0.000 0.738 150 E CB -1.027 28.715 29.700 0.070 0.000 1.308 150 E HN 0.760 nan 8.360 nan 0.000 0.409 151 A N -0.639 122.272 122.820 0.151 0.000 2.390 151 A HA 0.263 4.583 4.320 -0.000 0.000 0.232 151 A C -0.012 177.439 177.584 -0.222 0.000 1.233 151 A CA 0.085 52.079 52.037 -0.071 0.000 0.907 151 A CB 0.411 19.296 19.000 -0.192 0.000 0.967 151 A HN 0.249 nan 8.150 nan 0.000 0.512 152 Y N -1.898 118.482 120.300 0.134 0.000 2.446 152 Y HA 0.538 5.088 4.550 -0.000 0.000 0.338 152 Y C 1.308 177.259 175.900 0.084 0.000 1.055 152 Y CA -0.236 57.931 58.100 0.112 0.000 1.101 152 Y CB 1.818 40.356 38.460 0.131 0.000 1.221 152 Y HN 0.043 nan 8.280 nan 0.000 0.460 153 A N 2.412 125.355 122.820 0.206 0.000 2.021 153 A HA 0.178 4.497 4.320 -0.000 0.000 0.216 153 A C 0.693 178.343 177.584 0.110 0.000 1.163 153 A CA 0.778 52.887 52.037 0.120 0.000 0.676 153 A CB 0.122 19.166 19.000 0.073 0.000 0.818 153 A HN 0.566 nan 8.150 nan 0.000 0.453 154 R N -1.611 118.994 120.500 0.174 0.000 2.771 154 R HA 0.737 5.077 4.340 -0.000 0.000 0.274 154 R C -1.233 175.165 176.300 0.162 0.000 0.987 154 R CA 0.048 56.230 56.100 0.136 0.000 0.908 154 R CB 1.664 32.053 30.300 0.149 0.000 1.213 154 R HN 0.262 nan 8.270 nan 0.000 0.468 155 A N 1.054 123.949 122.820 0.124 0.000 2.515 155 A HA 0.754 5.074 4.320 -0.000 0.000 0.298 155 A C -0.799 176.850 177.584 0.108 0.000 1.059 155 A CA -0.705 51.361 52.037 0.048 0.000 0.698 155 A CB 1.816 20.815 19.000 -0.001 0.000 1.289 155 A HN 0.525 nan 8.150 nan 0.000 0.404 156 V N -2.092 117.859 119.914 0.061 0.000 3.007 156 V HA 1.019 5.139 4.120 -0.000 0.000 0.311 156 V C -0.360 175.751 176.094 0.029 0.000 1.120 156 V CA -0.346 62.007 62.300 0.089 0.000 0.980 156 V CB 1.341 33.236 31.823 0.120 0.000 1.033 156 V HN 2.395 nan 8.190 nan 0.000 0.429 157 A N 3.173 126.021 122.820 0.048 0.000 2.465 157 A HA 0.852 5.172 4.320 -0.000 0.000 0.292 157 A C -0.721 176.893 177.584 0.050 0.000 1.041 157 A CA -0.731 51.327 52.037 0.034 0.000 0.718 157 A CB 1.814 20.832 19.000 0.029 0.000 1.266 157 A HN 1.097 nan 8.150 nan 0.000 0.403 158 R N 1.832 122.361 120.500 0.048 0.000 2.288 158 R HA 0.724 5.063 4.340 -0.000 0.000 0.326 158 R C -0.614 175.709 176.300 0.038 0.000 0.959 158 R CA 0.212 56.343 56.100 0.052 0.000 0.834 158 R CB 1.013 31.352 30.300 0.065 0.000 1.157 158 R HN 1.373 nan 8.270 nan 0.000 0.470 159 A N 2.957 125.798 122.820 0.034 0.000 2.605 159 A HA 0.295 4.614 4.320 -0.000 0.000 0.294 159 A C 0.015 177.613 177.584 0.023 0.000 1.062 159 A CA -0.751 51.301 52.037 0.025 0.000 0.682 159 A CB 1.362 20.378 19.000 0.025 0.000 1.278 159 A HN 0.402 nan 8.150 nan 0.000 0.410 160 V N 1.178 121.102 119.914 0.016 0.000 2.453 160 V HA 0.045 4.165 4.120 -0.000 0.000 0.247 160 V C 1.826 177.927 176.094 0.012 0.000 1.048 160 V CA 1.750 64.058 62.300 0.013 0.000 1.049 160 V CB -1.093 30.734 31.823 0.007 0.000 0.672 160 V HN 1.347 nan 8.190 nan 0.000 0.457 161 A N 1.765 124.593 122.820 0.013 0.000 2.584 161 A HA 0.171 4.491 4.320 -0.000 0.000 0.239 161 A C -2.031 175.560 177.584 0.012 0.000 1.043 161 A CA -0.550 51.494 52.037 0.012 0.000 0.756 161 A CB -0.705 18.305 19.000 0.017 0.000 0.963 161 A HN 0.300 nan 8.150 nan 0.000 0.511 162 P HA 0.032 nan 4.420 nan 0.000 0.268 162 P C 1.004 178.308 177.300 0.006 0.000 1.208 162 P CA -0.185 62.917 63.100 0.004 0.000 0.777 162 P CB 0.363 32.063 31.700 -0.000 0.000 0.875 163 L N 1.081 122.305 121.223 0.002 0.000 2.081 163 L HA -0.269 4.070 4.340 -0.000 0.000 0.212 163 L C 2.335 179.204 176.870 -0.001 0.000 1.080 163 L CA 1.681 56.523 54.840 0.003 0.000 0.754 163 L CB -0.782 41.276 42.059 -0.002 0.000 0.893 163 L HN 0.490 nan 8.230 nan 0.000 0.433 164 c N -1.072 117.525 118.600 -0.006 0.000 2.432 164 c HA -0.132 4.438 4.570 -0.000 0.000 0.277 164 c C 2.809 176.894 174.090 -0.008 0.000 1.249 164 c CA 0.632 56.954 56.329 -0.012 0.000 1.725 164 c CB -0.533 41.972 42.510 -0.009 0.000 2.028 164 c HN 0.362 nan 8.230 nan 0.000 0.477 165 V N 0.673 120.589 119.914 0.003 0.000 2.307 165 V HA -0.194 3.926 4.120 -0.000 0.000 0.245 165 V C 2.350 178.456 176.094 0.020 0.000 1.045 165 V CA 1.682 63.990 62.300 0.013 0.000 1.024 165 V CB -0.686 31.147 31.823 0.016 0.000 0.651 165 V HN 0.540 nan 8.190 nan 0.000 0.449 166 L N -0.040 121.196 121.223 0.021 0.000 2.079 166 L HA -0.178 4.161 4.340 -0.000 0.000 0.210 166 L C 2.627 179.518 176.870 0.036 0.000 1.081 166 L CA 1.624 56.484 54.840 0.034 0.000 0.752 166 L CB -0.525 41.554 42.059 0.032 0.000 0.896 166 L HN 0.347 nan 8.230 nan 0.000 0.433 167 S N -0.595 115.113 115.700 0.014 0.000 2.368 167 S HA -0.243 4.227 4.470 -0.000 0.000 0.225 167 S C 1.844 176.439 174.600 -0.008 0.000 1.030 167 S CA 1.465 59.666 58.200 0.002 0.000 0.999 167 S CB -0.157 63.029 63.200 -0.024 0.000 0.844 167 S HN 0.454 nan 8.310 nan 0.000 0.459 168 E N 0.920 121.107 120.200 -0.023 0.000 2.150 168 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 168 E C 1.776 178.389 176.600 0.022 0.000 0.985 168 E CA 0.748 57.128 56.400 -0.032 0.000 0.814 168 E CB -0.090 29.595 29.700 -0.025 0.000 0.752 168 E HN 0.453 nan 8.360 nan 0.000 0.466 169 L N 0.068 121.326 121.223 0.058 0.000 2.209 169 L HA -0.049 4.290 4.340 -0.000 0.000 0.207 169 L C 2.299 179.300 176.870 0.220 0.000 1.094 169 L CA 0.444 55.355 54.840 0.119 0.000 0.790 169 L CB -0.145 41.988 42.059 0.123 0.000 0.932 169 L HN 0.208 nan 8.230 nan 0.000 0.447 170 L N -0.848 120.481 121.223 0.176 0.000 2.130 170 L HA -0.064 4.276 4.340 -0.000 0.000 0.200 170 L C 2.412 179.415 176.870 0.223 0.000 1.075 170 L CA 0.570 55.554 54.840 0.240 0.000 0.768 170 L CB -0.287 41.848 42.059 0.128 0.000 0.933 170 L HN 0.131 nan 8.230 nan 0.000 0.451 171 L N 0.148 121.434 121.223 0.105 0.000 2.043 171 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 171 L C -0.419 176.486 176.870 0.058 0.000 1.075 171 L CA 1.540 56.422 54.840 0.070 0.000 0.752 171 L CB -1.536 40.533 42.059 0.017 0.000 0.891 171 L HN 0.222 nan 8.230 nan 0.000 0.432 172 P HA -0.146 nan 4.420 nan 0.000 0.225 172 P C 1.172 178.408 177.300 -0.106 0.000 1.148 172 P CA 1.274 64.316 63.100 -0.097 0.000 0.779 172 P CB -0.028 31.544 31.700 -0.214 0.000 0.780 173 F N -1.285 118.728 119.950 0.104 0.000 2.615 173 F HA 0.073 4.600 4.527 -0.000 0.000 0.297 173 F C 1.244 177.182 175.800 0.231 0.000 1.124 173 F CA 0.337 58.445 58.000 0.181 0.000 1.451 173 F CB -0.515 38.529 39.000 0.073 0.000 1.103 173 F HN -0.203 nan 8.300 nan 0.000 0.569 174 L N 1.694 123.089 121.223 0.287 0.000 2.290 174 L HA 0.203 4.543 4.340 -0.000 0.000 0.284 174 L C 0.595 177.554 176.870 0.148 0.000 1.078 174 L CA -0.729 54.241 54.840 0.218 0.000 0.815 174 L CB 0.579 42.725 42.059 0.145 0.000 1.162 174 L HN 0.177 nan 8.230 nan 0.000 0.435 175 E N 2.660 122.940 120.200 0.133 0.000 2.418 175 E HA 0.147 4.497 4.350 -0.000 0.000 0.261 175 E C -0.529 176.105 176.600 0.057 0.000 1.070 175 E CA -0.816 55.630 56.400 0.077 0.000 0.931 175 E CB 0.910 30.643 29.700 0.055 0.000 0.954 175 E HN 0.228 nan 8.360 nan 0.000 0.439 176 V N 2.778 122.716 119.914 0.039 0.000 2.694 176 V HA 0.202 4.322 4.120 -0.000 0.000 0.306 176 V C 1.525 177.631 176.094 0.020 0.000 1.054 176 V CA 1.655 63.972 62.300 0.027 0.000 1.161 176 V CB 0.187 32.022 31.823 0.020 0.000 0.916 176 V HN 1.052 nan 8.190 nan 0.000 0.490 177 G N 3.436 112.244 108.800 0.014 0.000 2.217 177 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.246 177 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.246 177 G C 0.587 175.488 174.900 0.002 0.000 0.990 177 G CA 0.076 45.178 45.100 0.005 0.000 0.627 177 G HN 1.345 nan 8.290 nan 0.000 0.522 178 G N -0.216 108.595 108.800 0.018 0.000 2.621 178 G HA2 0.763 4.723 3.960 -0.000 0.000 0.271 178 G HA3 0.763 4.723 3.960 -0.000 0.000 0.271 178 G C 0.027 174.930 174.900 0.005 0.000 1.236 178 G CA 0.519 45.631 45.100 0.020 0.000 0.958 178 G HN 1.711 nan 8.290 nan 0.000 0.512 179 A N -1.405 121.411 122.820 -0.007 0.000 2.549 179 A HA 0.840 5.160 4.320 -0.000 0.000 0.297 179 A C -0.317 177.269 177.584 0.003 0.000 1.061 179 A CA 0.041 52.065 52.037 -0.021 0.000 0.690 179 A CB 1.509 20.462 19.000 -0.078 0.000 1.287 179 A HN 1.965 nan 8.150 nan 0.000 0.402 180 A N 0.680 123.517 122.820 0.029 0.000 2.355 180 A HA 0.778 5.098 4.320 -0.000 0.000 0.324 180 A C -0.921 176.705 177.584 0.070 0.000 1.117 180 A CA -0.544 51.531 52.037 0.063 0.000 0.785 180 A CB 1.380 20.424 19.000 0.074 0.000 1.254 180 A HN 1.413 nan 8.150 nan 0.000 0.453 181 V N 1.348 121.334 119.914 0.119 0.000 2.409 181 V HA 0.617 4.737 4.120 -0.000 0.000 0.291 181 V C 0.403 176.565 176.094 0.114 0.000 1.020 181 V CA -0.390 61.989 62.300 0.132 0.000 0.848 181 V CB 1.232 33.187 31.823 0.220 0.000 0.990 181 V HN 1.166 nan 8.190 nan 0.000 0.430 182 A N 6.833 129.707 122.820 0.089 0.000 2.252 182 A HA 0.749 5.069 4.320 -0.000 0.000 0.309 182 A C -0.056 177.580 177.584 0.086 0.000 1.285 182 A CA -0.472 51.610 52.037 0.076 0.000 0.900 182 A CB 0.234 19.268 19.000 0.057 0.000 1.157 182 A HN 0.843 nan 8.150 nan 0.000 0.536 183 M N 3.731 123.383 119.600 0.086 0.000 2.105 183 M HA 0.290 4.770 4.480 -0.000 0.000 0.350 183 M C -0.050 176.300 176.300 0.082 0.000 1.308 183 M CA 0.188 55.542 55.300 0.091 0.000 1.108 183 M CB 0.668 33.322 32.600 0.088 0.000 1.622 183 M HN 0.492 nan 8.290 nan 0.000 0.468 184 K N 1.539 121.998 120.400 0.099 0.000 2.395 184 K HA 0.722 5.042 4.320 -0.000 0.000 0.245 184 K C 0.135 176.809 176.600 0.124 0.000 1.017 184 K CA -0.577 55.767 56.287 0.096 0.000 0.852 184 K CB 2.087 34.636 32.500 0.082 0.000 1.311 184 K HN 0.773 nan 8.250 nan 0.000 0.452 185 G N 0.428 109.293 108.800 0.109 0.000 2.630 185 G HA2 0.231 4.191 3.960 -0.000 0.000 0.223 185 G HA3 0.231 4.191 3.960 -0.000 0.000 0.223 185 G C -1.853 173.170 174.900 0.204 0.000 1.434 185 G CA -0.687 44.481 45.100 0.114 0.000 1.057 185 G HN 0.230 nan 8.290 nan 0.000 0.570 186 P HA 0.032 nan 4.420 nan 0.000 0.220 186 P C 0.459 177.864 177.300 0.176 0.000 1.148 186 P CA 0.820 64.032 63.100 0.186 0.000 0.803 186 P CB 0.236 31.989 31.700 0.088 0.000 0.782 187 R N -0.415 120.118 120.500 0.055 0.000 2.337 187 R HA 0.268 4.608 4.340 -0.000 0.000 0.319 187 R C 0.466 176.702 176.300 -0.107 0.000 0.954 187 R CA -0.210 55.871 56.100 -0.032 0.000 0.840 187 R CB 0.901 31.195 30.300 -0.009 0.000 1.164 187 R HN -0.100 nan 8.270 nan 0.000 0.472 188 V N -0.729 119.047 119.914 -0.230 0.000 3.451 188 V HA 0.105 4.225 4.120 -0.000 0.000 0.288 188 V C 1.718 177.723 176.094 -0.147 0.000 1.502 188 V CA 0.073 62.242 62.300 -0.218 0.000 1.026 188 V CB 0.470 32.071 31.823 -0.371 0.000 0.840 188 V HN 0.618 nan 8.190 nan 0.000 0.437 189 E N 1.885 122.010 120.200 -0.126 0.000 2.049 189 E HA -0.305 4.045 4.350 -0.000 0.000 0.198 189 E C 1.702 178.271 176.600 -0.051 0.000 1.007 189 E CA 2.297 58.651 56.400 -0.077 0.000 0.809 189 E CB -0.596 29.072 29.700 -0.053 0.000 0.749 189 E HN 0.657 nan 8.360 nan 0.000 0.450 190 E N 0.891 121.066 120.200 -0.042 0.000 2.072 190 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 190 E C 2.140 178.723 176.600 -0.028 0.000 0.985 190 E CA 0.979 57.362 56.400 -0.028 0.000 0.801 190 E CB -0.124 29.563 29.700 -0.022 0.000 0.750 190 E HN 0.538 nan 8.360 nan 0.000 0.452 191 E N 0.372 120.552 120.200 -0.034 0.000 2.204 191 E HA -0.087 4.263 4.350 -0.000 0.000 0.194 191 E C 2.181 178.764 176.600 -0.028 0.000 0.989 191 E CA 0.427 56.810 56.400 -0.028 0.000 0.824 191 E CB 0.066 29.749 29.700 -0.028 0.000 0.756 191 E HN 0.190 nan 8.360 nan 0.000 0.477 192 L N 0.151 121.351 121.223 -0.037 0.000 2.209 192 L HA 0.003 4.342 4.340 -0.000 0.000 0.207 192 L C 2.518 179.374 176.870 -0.023 0.000 1.094 192 L CA 0.420 55.241 54.840 -0.032 0.000 0.790 192 L CB -0.292 41.742 42.059 -0.043 0.000 0.932 192 L HN 0.095 nan 8.230 nan 0.000 0.447 193 A N 1.300 124.106 122.820 -0.023 0.000 1.884 193 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 193 A C -0.167 177.409 177.584 -0.013 0.000 1.197 193 A CA 2.236 54.263 52.037 -0.017 0.000 0.637 193 A CB -1.905 17.085 19.000 -0.015 0.000 0.827 193 A HN 0.371 nan 8.150 nan 0.000 0.450 194 P HA 0.172 nan 4.420 nan 0.000 0.261 194 P C 0.975 178.267 177.300 -0.013 0.000 1.352 194 P CA 0.003 63.097 63.100 -0.010 0.000 0.891 194 P CB 0.301 31.997 31.700 -0.008 0.000 1.383 195 L N 1.349 122.563 121.223 -0.015 0.000 2.072 195 L HA 0.144 4.484 4.340 -0.000 0.000 0.205 195 L C -0.793 176.065 176.870 -0.020 0.000 1.079 195 L CA 1.943 56.772 54.840 -0.018 0.000 0.752 195 L CB -1.858 40.191 42.059 -0.017 0.000 0.906 195 L HN -0.056 nan 8.230 nan 0.000 0.436 196 P HA -0.110 nan 4.420 nan 0.000 0.216 196 P C -1.389 175.900 177.300 -0.019 0.000 1.153 196 P CA 1.882 64.973 63.100 -0.015 0.000 0.858 196 P CB -1.052 30.642 31.700 -0.010 0.000 0.789 197 P HA -0.078 nan 4.420 nan 0.000 0.219 197 P C 1.418 178.700 177.300 -0.031 0.000 1.150 197 P CA 1.598 64.688 63.100 -0.018 0.000 0.814 197 P CB -0.578 31.115 31.700 -0.011 0.000 0.787 198 A N -0.258 122.539 122.820 -0.040 0.000 1.902 198 A HA -0.164 4.155 4.320 -0.000 0.000 0.217 198 A C 2.197 179.726 177.584 -0.093 0.000 1.181 198 A CA 1.391 53.387 52.037 -0.069 0.000 0.623 198 A CB -1.664 17.299 19.000 -0.062 0.000 0.818 198 A HN 0.099 nan 8.150 nan 0.000 0.443 199 L N -0.752 120.432 121.223 -0.064 0.000 2.042 199 L HA -0.243 4.096 4.340 -0.000 0.000 0.210 199 L C 2.681 179.516 176.870 -0.059 0.000 1.076 199 L CA 1.959 56.763 54.840 -0.060 0.000 0.749 199 L CB -0.558 41.481 42.059 -0.034 0.000 0.893 199 L HN 0.620 nan 8.230 nan 0.000 0.432 200 E N 0.521 120.696 120.200 -0.042 0.000 2.110 200 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 200 E C 2.299 178.880 176.600 -0.032 0.000 0.988 200 E CA 1.080 57.463 56.400 -0.028 0.000 0.804 200 E CB 0.086 29.777 29.700 -0.015 0.000 0.745 200 E HN 0.377 nan 8.360 nan 0.000 0.458 201 R N -0.238 120.227 120.500 -0.059 0.000 2.152 201 R HA -0.090 4.250 4.340 -0.000 0.000 0.232 201 R C 2.065 178.305 176.300 -0.101 0.000 1.117 201 R CA 1.066 57.129 56.100 -0.062 0.000 0.981 201 R CB -0.093 30.143 30.300 -0.106 0.000 0.870 201 R HN 0.259 nan 8.270 nan 0.000 0.451 202 L N -1.081 120.047 121.223 -0.159 0.000 2.607 202 L HA 0.269 4.609 4.340 -0.000 0.000 0.228 202 L C 1.071 177.922 176.870 -0.031 0.000 1.123 202 L CA 0.281 55.036 54.840 -0.140 0.000 0.890 202 L CB 0.601 42.544 42.059 -0.193 0.000 1.103 202 L HN 0.381 nan 8.230 nan 0.000 0.468 203 G N -0.097 108.693 108.800 -0.016 0.000 2.141 203 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.242 203 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.242 203 G C 0.397 175.296 174.900 -0.001 0.000 0.982 203 G CA -0.162 44.940 45.100 0.003 0.000 0.662 203 G HN 0.522 nan 8.290 nan 0.000 0.527 204 G N -1.015 107.776 108.800 -0.014 0.000 2.552 204 G HA2 0.812 4.772 3.960 -0.000 0.000 0.324 204 G HA3 0.812 4.772 3.960 -0.000 0.000 0.324 204 G C -0.395 174.499 174.900 -0.010 0.000 1.217 204 G CA -0.201 44.893 45.100 -0.009 0.000 0.989 204 G HN 0.757 nan 8.290 nan 0.000 0.490 205 R N -0.190 120.306 120.500 -0.006 0.000 2.668 205 R HA 0.430 4.770 4.340 -0.000 0.000 0.272 205 R C -1.641 174.657 176.300 -0.004 0.000 1.019 205 R CA -0.860 55.237 56.100 -0.006 0.000 0.894 205 R CB 1.823 32.121 30.300 -0.004 0.000 1.228 205 R HN 0.459 nan 8.270 nan 0.000 0.460 206 L N 3.869 125.090 121.223 -0.004 0.000 2.418 206 L HA 0.370 4.710 4.340 -0.000 0.000 0.274 206 L C 0.374 177.245 176.870 0.002 0.000 1.135 206 L CA 0.799 55.639 54.840 -0.000 0.000 0.870 206 L CB 0.958 43.017 42.059 -0.001 0.000 1.154 206 L HN 0.819 nan 8.230 nan 0.000 0.462 207 G N 4.392 113.195 108.800 0.004 0.000 2.624 207 G HA2 0.233 4.193 3.960 -0.000 0.000 0.217 207 G HA3 0.233 4.193 3.960 -0.000 0.000 0.217 207 G C -0.416 174.490 174.900 0.010 0.000 1.506 207 G CA -0.149 44.953 45.100 0.003 0.000 1.072 207 G HN 0.803 nan 8.290 nan 0.000 0.568 208 E N -1.679 118.529 120.200 0.013 0.000 2.371 208 E HA 0.396 4.746 4.350 -0.000 0.000 0.257 208 E C -1.160 175.463 176.600 0.038 0.000 1.134 208 E CA -0.645 55.769 56.400 0.023 0.000 0.919 208 E CB 1.480 31.193 29.700 0.021 0.000 1.025 208 E HN 0.062 nan 8.360 nan 0.000 0.438 209 V N 2.916 122.860 119.914 0.051 0.000 2.304 209 V HA 0.162 4.282 4.120 -0.000 0.000 0.278 209 V C -0.728 175.428 176.094 0.104 0.000 1.018 209 V CA -0.794 61.556 62.300 0.083 0.000 0.814 209 V CB 0.893 32.763 31.823 0.078 0.000 1.021 209 V HN 0.572 nan 8.190 nan 0.000 0.440 210 L N 5.526 126.808 121.223 0.097 0.000 2.260 210 L HA 0.765 5.105 4.340 -0.000 0.000 0.289 210 L C 0.597 177.483 176.870 0.027 0.000 1.057 210 L CA 0.102 54.980 54.840 0.063 0.000 0.811 210 L CB 0.925 43.013 42.059 0.049 0.000 1.184 210 L HN 0.680 nan 8.230 nan 0.000 0.429 211 A N 6.293 129.101 122.820 -0.021 0.000 2.366 211 A HA 0.668 4.988 4.320 -0.000 0.000 0.272 211 A C -0.771 176.719 177.584 -0.157 0.000 1.135 211 A CA -0.364 51.538 52.037 -0.225 0.000 0.804 211 A CB 0.087 18.997 19.000 -0.150 0.000 1.064 211 A HN 0.826 nan 8.150 nan 0.000 0.499 212 L N -0.301 120.802 121.223 -0.200 0.000 2.491 212 L HA 0.704 5.044 4.340 -0.000 0.000 0.254 212 L C -0.638 176.165 176.870 -0.110 0.000 1.048 212 L CA -0.710 54.065 54.840 -0.108 0.000 0.855 212 L CB 1.368 43.394 42.059 -0.055 0.000 1.466 212 L HN 0.620 nan 8.230 nan 0.000 0.409 213 Q N 0.997 120.756 119.800 -0.067 0.000 2.309 213 Q HA 0.650 4.989 4.340 -0.000 0.000 0.264 213 Q C -1.189 174.786 176.000 -0.042 0.000 1.008 213 Q CA -0.896 54.874 55.803 -0.055 0.000 0.853 213 Q CB 2.646 31.358 28.738 -0.044 0.000 1.314 213 Q HN 0.589 nan 8.270 nan 0.000 0.448 214 L N 3.363 124.562 121.223 -0.040 0.000 2.456 214 L HA 0.036 4.376 4.340 -0.000 0.000 0.272 214 L C -1.447 175.399 176.870 -0.040 0.000 1.189 214 L CA -1.273 53.544 54.840 -0.038 0.000 0.846 214 L CB 0.147 42.179 42.059 -0.044 0.000 1.111 214 L HN 0.440 nan 8.230 nan 0.000 0.475 215 P HA -0.176 nan 4.420 nan 0.000 0.216 215 P C 1.309 178.580 177.300 -0.047 0.000 1.154 215 P CA 1.576 64.653 63.100 -0.039 0.000 0.865 215 P CB 0.263 31.939 31.700 -0.041 0.000 0.789 216 L N -2.433 118.755 121.223 -0.059 0.000 2.577 216 L HA 0.131 4.471 4.340 -0.000 0.000 0.225 216 L C 2.136 178.969 176.870 -0.063 0.000 1.053 216 L CA 0.943 55.743 54.840 -0.066 0.000 0.866 216 L CB -0.488 41.520 42.059 -0.086 0.000 1.132 216 L HN -0.029 nan 8.230 nan 0.000 0.486 217 S N -0.813 114.849 115.700 -0.064 0.000 2.502 217 S HA 0.200 4.670 4.470 -0.000 0.000 0.215 217 S C 1.656 176.227 174.600 -0.048 0.000 1.009 217 S CA 0.535 58.698 58.200 -0.061 0.000 0.908 217 S CB 0.649 63.804 63.200 -0.074 0.000 0.801 217 S HN 0.435 nan 8.310 nan 0.000 0.505 218 G N 1.112 109.885 108.800 -0.044 0.000 2.189 218 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.267 218 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.267 218 G C -0.177 174.702 174.900 -0.035 0.000 0.975 218 G CA 0.426 45.504 45.100 -0.037 0.000 0.644 218 G HN 0.646 nan 8.290 nan 0.000 0.537 219 E N 0.685 120.862 120.200 -0.038 0.000 2.442 219 E HA 0.453 4.803 4.350 -0.000 0.000 0.262 219 E C 0.917 177.497 176.600 -0.033 0.000 1.004 219 E CA 0.214 56.595 56.400 -0.031 0.000 0.928 219 E CB 0.616 30.296 29.700 -0.032 0.000 0.937 219 E HN 0.715 nan 8.360 nan 0.000 0.446 220 A N 4.098 126.903 122.820 -0.025 0.000 2.440 220 A HA 0.299 4.619 4.320 -0.000 0.000 0.251 220 A C -0.121 177.437 177.584 -0.043 0.000 1.089 220 A CA -0.199 51.810 52.037 -0.047 0.000 0.779 220 A CB 0.421 19.414 19.000 -0.012 0.000 1.022 220 A HN 0.410 nan 8.150 nan 0.000 0.492 221 R N 0.611 121.035 120.500 -0.127 0.000 2.808 221 R HA 0.574 4.914 4.340 -0.000 0.000 0.272 221 R C -1.574 174.563 176.300 -0.271 0.000 0.995 221 R CA -0.679 55.376 56.100 -0.074 0.000 0.917 221 R CB 1.664 31.945 30.300 -0.030 0.000 1.217 221 R HN 0.911 nan 8.270 nan 0.000 0.471 222 H N 0.239 119.326 119.070 0.028 0.000 2.771 222 H HA 0.472 5.028 4.556 -0.000 0.000 0.361 222 H C -0.631 174.722 175.328 0.042 0.000 1.108 222 H CA -0.522 55.545 56.048 0.031 0.000 1.201 222 H CB 1.828 31.605 29.762 0.025 0.000 1.681 222 H HN 0.148 nan 8.280 nan 0.000 0.534 223 L N 3.204 124.515 121.223 0.146 0.000 2.272 223 L HA 0.476 4.816 4.340 -0.000 0.000 0.289 223 L C -0.576 176.365 176.870 0.118 0.000 1.032 223 L CA -1.034 53.881 54.840 0.125 0.000 0.810 223 L CB 1.208 43.336 42.059 0.115 0.000 1.205 223 L HN 0.313 nan 8.230 nan 0.000 0.422 224 V N 4.563 124.538 119.914 0.100 0.000 2.347 224 V HA 0.291 4.411 4.120 -0.000 0.000 0.280 224 V C 0.232 176.363 176.094 0.061 0.000 1.021 224 V CA -0.636 61.707 62.300 0.072 0.000 0.847 224 V CB 1.852 33.707 31.823 0.052 0.000 0.990 224 V HN 0.417 nan 8.190 nan 0.000 0.444 225 V N 6.950 126.891 119.914 0.046 0.000 2.432 225 V HA 0.419 4.539 4.120 -0.000 0.000 0.275 225 V C -0.035 176.070 176.094 0.020 0.000 1.043 225 V CA -0.362 61.956 62.300 0.030 0.000 0.925 225 V CB 1.408 33.238 31.823 0.012 0.000 0.985 225 V HN 0.634 nan 8.190 nan 0.000 0.466 226 L N 5.240 126.475 121.223 0.020 0.000 2.319 226 L HA 0.556 4.896 4.340 -0.000 0.000 0.281 226 L C 0.015 176.891 176.870 0.010 0.000 1.005 226 L CA -0.465 54.384 54.840 0.015 0.000 0.828 226 L CB 1.505 43.578 42.059 0.023 0.000 1.227 226 L HN 0.615 nan 8.230 nan 0.000 0.415 227 E N 2.471 122.672 120.200 0.003 0.000 2.249 227 E HA 0.245 4.595 4.350 -0.000 0.000 0.280 227 E C -0.681 175.924 176.600 0.007 0.000 1.016 227 E CA -0.868 55.532 56.400 0.000 0.000 0.830 227 E CB 1.772 31.468 29.700 -0.006 0.000 1.081 227 E HN 0.161 nan 8.360 nan 0.000 0.395 228 K N 1.813 122.221 120.400 0.014 0.000 2.263 228 K HA 0.097 4.417 4.320 -0.000 0.000 0.282 228 K C 0.312 176.920 176.600 0.014 0.000 1.089 228 K CA -0.045 56.255 56.287 0.021 0.000 0.907 228 K CB 0.322 32.845 32.500 0.038 0.000 1.148 228 K HN 0.584 nan 8.250 nan 0.000 0.470 229 T N 0.363 114.923 114.554 0.011 0.000 2.990 229 T HA 0.486 4.836 4.350 -0.000 0.000 0.250 229 T C 0.457 175.163 174.700 0.010 0.000 1.041 229 T CA 0.075 62.179 62.100 0.008 0.000 1.010 229 T CB 0.401 69.271 68.868 0.004 0.000 1.003 229 T HN 0.363 nan 8.240 nan 0.000 0.499 230 A N 1.375 124.203 122.820 0.014 0.000 2.594 230 A HA 0.788 5.108 4.320 -0.000 0.000 0.291 230 A C -3.209 174.388 177.584 0.022 0.000 1.105 230 A CA -1.993 50.054 52.037 0.016 0.000 0.694 230 A CB 0.783 19.792 19.000 0.014 0.000 1.291 230 A HN 0.057 nan 8.150 nan 0.000 0.410 231 P HA 0.228 nan 4.420 nan 0.000 0.268 231 P C -0.221 177.101 177.300 0.036 0.000 1.205 231 P CA 0.415 63.532 63.100 0.027 0.000 0.771 231 P CB 0.343 32.057 31.700 0.023 0.000 0.858 232 T N 5.124 119.703 114.554 0.042 0.000 2.870 232 T HA 0.209 4.559 4.350 -0.000 0.000 0.300 232 T C -2.019 172.734 174.700 0.087 0.000 0.989 232 T CA -0.786 61.355 62.100 0.069 0.000 1.139 232 T CB -0.420 68.485 68.868 0.062 0.000 0.920 232 T HN 0.299 nan 8.240 nan 0.000 0.537 233 P HA 0.094 nan 4.420 nan 0.000 0.268 233 P C -1.553 175.770 177.300 0.038 0.000 1.208 233 P CA -1.324 61.830 63.100 0.091 0.000 0.777 233 P CB 0.142 31.923 31.700 0.135 0.000 0.875 234 P HA -0.155 nan 4.420 nan 0.000 0.225 234 P C 0.896 178.116 177.300 -0.133 0.000 1.148 234 P CA 1.172 64.239 63.100 -0.056 0.000 0.779 234 P CB -0.242 31.427 31.700 -0.052 0.000 0.780 235 A N -1.492 121.172 122.820 -0.261 0.000 2.070 235 A HA -0.099 4.221 4.320 -0.000 0.000 0.220 235 A C 0.579 177.787 177.584 -0.626 0.000 1.159 235 A CA 0.960 52.691 52.037 -0.510 0.000 0.656 235 A CB -0.983 17.562 19.000 -0.758 0.000 0.800 235 A HN 0.159 nan 8.150 nan 0.000 0.453 236 Y N -0.609 119.674 120.300 -0.028 0.000 2.446 236 Y HA 0.498 5.047 4.550 -0.000 0.000 0.338 236 Y C -2.301 173.562 175.900 -0.061 0.000 1.055 236 Y CA -3.334 54.745 58.100 -0.035 0.000 1.101 236 Y CB 1.004 39.447 38.460 -0.028 0.000 1.221 236 Y HN -0.008 nan 8.280 nan 0.000 0.460 237 P HA 0.280 nan 4.420 nan 0.000 0.277 237 P C -0.505 176.847 177.300 0.086 0.000 1.240 237 P CA -0.515 62.666 63.100 0.135 0.000 0.798 237 P CB 1.245 32.968 31.700 0.038 0.000 0.979 238 R N 0.723 121.298 120.500 0.125 0.000 2.840 238 R HA 0.233 4.572 4.340 -0.000 0.000 0.282 238 R C 1.005 177.326 176.300 0.036 0.000 1.133 238 R CA -0.371 55.760 56.100 0.053 0.000 1.208 238 R CB 0.129 30.477 30.300 0.081 0.000 1.160 238 R HN 0.450 nan 8.270 nan 0.000 0.576 239 R N 0.933 121.447 120.500 0.022 0.000 2.738 239 R HA 0.061 4.400 4.340 -0.000 0.000 0.268 239 R C -2.134 174.183 176.300 0.027 0.000 1.062 239 R CA -1.259 54.851 56.100 0.017 0.000 1.158 239 R CB -0.074 30.232 30.300 0.010 0.000 1.046 239 R HN 0.345 nan 8.270 nan 0.000 0.493 240 P HA -0.144 nan 4.420 nan 0.000 0.257 240 P C 0.460 177.776 177.300 0.027 0.000 1.162 240 P CA 1.623 64.736 63.100 0.021 0.000 0.762 240 P CB 0.318 32.024 31.700 0.009 0.000 0.753 241 G N 1.745 110.563 108.800 0.030 0.000 2.253 241 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.251 241 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.251 241 G C 1.035 175.955 174.900 0.034 0.000 0.998 241 G CA 0.232 45.347 45.100 0.026 0.000 0.621 241 G HN 0.405 nan 8.290 nan 0.000 0.524 242 V N 1.868 121.818 119.914 0.059 0.000 2.358 242 V HA -0.068 4.052 4.120 -0.000 0.000 0.246 242 V C 0.719 176.872 176.094 0.099 0.000 1.047 242 V CA 2.630 64.990 62.300 0.101 0.000 1.035 242 V CB -1.021 30.869 31.823 0.112 0.000 0.658 242 V HN 0.382 nan 8.190 nan 0.000 0.452 243 P HA -0.158 nan 4.420 nan 0.000 0.215 243 P C 1.660 178.985 177.300 0.042 0.000 1.153 243 P CA 1.429 64.572 63.100 0.073 0.000 0.853 243 P CB 0.050 31.788 31.700 0.064 0.000 0.788 244 E N -0.796 119.418 120.200 0.022 0.000 2.047 244 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 244 E C 2.308 178.881 176.600 -0.045 0.000 0.987 244 E CA 0.837 57.234 56.400 -0.004 0.000 0.799 244 E CB -0.210 29.488 29.700 -0.004 0.000 0.752 244 E HN 0.091 nan 8.360 nan 0.000 0.449 245 R N -0.026 120.425 120.500 -0.082 0.000 2.075 245 R HA -0.077 4.263 4.340 -0.000 0.000 0.232 245 R C 0.415 176.466 176.300 -0.415 0.000 1.126 245 R CA 1.072 57.021 56.100 -0.251 0.000 0.963 245 R CB 0.210 30.340 30.300 -0.283 0.000 0.858 245 R HN 0.170 nan 8.270 nan 0.000 0.435 246 H N 0.532 119.615 119.070 0.021 0.000 2.423 246 H HA 0.323 4.879 4.556 -0.000 0.000 0.237 246 H C -2.402 172.942 175.328 0.027 0.000 1.391 246 H CA -2.379 53.683 56.048 0.023 0.000 1.453 246 H CB 1.234 31.011 29.762 0.025 0.000 1.484 246 H HN 0.212 nan 8.280 nan 0.000 0.505 247 P HA 0.035 nan 4.420 nan 0.000 0.271 247 P C 1.314 178.648 177.300 0.056 0.000 1.218 247 P CA -0.347 62.787 63.100 0.057 0.000 0.780 247 P CB 1.401 33.117 31.700 0.026 0.000 0.901 248 L N 0.900 122.141 121.223 0.030 0.000 2.450 248 L HA -0.104 4.236 4.340 -0.000 0.000 0.224 248 L C 1.017 177.890 176.870 0.006 0.000 1.149 248 L CA 1.038 55.884 54.840 0.010 0.000 0.816 248 L CB -0.568 41.458 42.059 -0.055 0.000 0.932 248 L HN 0.620 nan 8.230 nan 0.000 0.449 249 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 56.333 56.329 0.006 0.000 1.963 249 c CB 0.000 42.507 42.510 -0.005 0.000 2.134 249 c HN 0.000 nan 8.230 nan 0.000 0.568