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 3aex_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRPPLIERYR NLLPVSEKTP VISLLEGSTP LIPLKGPEEA RKKGIRLYAK DATA SEQUENCE YEGLNPTGSF KDRGMTLAVS KAVEGGAQAV ACASTGNTAA SAAAYAARAG DATA SEQUENCE ILAIVVLPAG YVALGKVAQS LVHGARIVQV EGNFDDALRL TQKLTEAFPV DATA SEQUENCE ALVNSVNPHR LEGQKTLAFE VVDELGDAPH YHALPVGNAG NITAHWMGYK DATA SEQUENCE AYHALGKAKR LPRMLGFQAA GAAPLVLGRP VERPETLATA IRIGNPASWQ DATA SEQUENCE GAVRAKEESG GVIEAVTDEE ILFAYRYLAR EEGIFCEPAS AAAMAGVFKL DATA SEQUENCE LREGRLEPES TVVLTLTGHG LKDPATAERV AELPPPVPAR LEAVAAAAGL DATA SEQUENCE L 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 0.000 176.301 176.300 0.002 0.000 1.140 1 M CA 0.000 55.300 55.300 0.000 0.000 0.988 1 M CB 0.000 32.601 32.600 0.001 0.000 1.302 2 R N 1.882 122.382 120.500 0.001 0.000 1.933 2 R HA -0.063 4.277 4.340 -0.000 0.000 0.367 2 R C -2.793 173.509 176.300 0.004 0.000 1.206 2 R CA 0.682 56.784 56.100 0.003 0.000 1.060 2 R CB -0.340 29.965 30.300 0.008 0.000 3.102 2 R HN 0.621 nan 8.270 nan 0.000 0.490 3 P HA 0.346 nan 4.420 nan 0.000 0.282 3 P C -2.484 174.824 177.300 0.013 0.000 1.249 3 P CA -1.564 61.537 63.100 0.001 0.000 0.806 3 P CB 1.082 32.774 31.700 -0.014 0.000 0.984 4 P HA 0.041 nan 4.420 nan 0.000 0.271 4 P C 1.218 178.551 177.300 0.056 0.000 1.244 4 P CA -0.406 62.722 63.100 0.046 0.000 0.793 4 P CB 0.311 32.041 31.700 0.050 0.000 0.984 5 L N 1.709 122.983 121.223 0.084 0.000 2.043 5 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 5 L C 1.890 178.842 176.870 0.137 0.000 1.075 5 L CA 1.919 56.833 54.840 0.124 0.000 0.752 5 L CB -1.203 40.933 42.059 0.129 0.000 0.891 5 L HN 0.296 nan 8.230 nan 0.000 0.432 6 I N -0.054 120.573 120.570 0.094 0.000 2.194 6 I HA -0.283 3.887 4.170 -0.000 0.000 0.246 6 I C 2.466 178.630 176.117 0.077 0.000 1.093 6 I CA 1.378 62.729 61.300 0.084 0.000 1.355 6 I CB -0.618 37.408 38.000 0.043 0.000 1.046 6 I HN 0.352 nan 8.210 nan 0.000 0.413 7 E N -0.271 119.955 120.200 0.044 0.000 2.072 7 E HA -0.197 4.153 4.350 -0.000 0.000 0.190 7 E C 2.329 178.911 176.600 -0.030 0.000 0.982 7 E CA 0.691 57.098 56.400 0.012 0.000 0.803 7 E CB -0.427 29.274 29.700 0.001 0.000 0.755 7 E HN 0.469 nan 8.360 nan 0.000 0.453 8 R N -0.051 120.408 120.500 -0.068 0.000 2.105 8 R HA -0.155 4.184 4.340 -0.000 0.000 0.239 8 R C 0.698 176.738 176.300 -0.433 0.000 1.135 8 R CA 1.337 57.273 56.100 -0.274 0.000 0.967 8 R CB -0.013 30.079 30.300 -0.348 0.000 0.861 8 R HN 0.187 nan 8.270 nan 0.000 0.442 9 Y N -0.634 119.713 120.300 0.079 0.000 2.713 9 Y HA 0.284 4.833 4.550 -0.000 0.000 0.269 9 Y C 1.371 177.318 175.900 0.079 0.000 1.106 9 Y CA -0.614 57.548 58.100 0.103 0.000 1.174 9 Y CB 0.364 38.952 38.460 0.212 0.000 1.186 9 Y HN -0.001 nan 8.280 nan 0.000 0.555 10 R N 1.863 122.441 120.500 0.130 0.000 2.119 10 R HA -0.243 4.097 4.340 -0.000 0.000 0.246 10 R C 1.880 178.232 176.300 0.087 0.000 1.146 10 R CA 2.378 58.532 56.100 0.089 0.000 0.962 10 R CB -0.122 30.203 30.300 0.041 0.000 0.863 10 R HN 0.524 nan 8.270 nan 0.000 0.442 11 N N 0.608 119.355 118.700 0.078 0.000 2.453 11 N HA -0.169 4.571 4.740 -0.000 0.000 0.183 11 N C 1.281 176.840 175.510 0.080 0.000 1.041 11 N CA 1.128 54.213 53.050 0.059 0.000 0.900 11 N CB -0.155 38.351 38.487 0.031 0.000 0.961 11 N HN 0.372 nan 8.380 nan 0.000 0.443 12 L N -0.146 121.161 121.223 0.139 0.000 2.728 12 L HA 0.394 4.734 4.340 -0.000 0.000 0.238 12 L C 0.189 177.165 176.870 0.177 0.000 1.143 12 L CA -0.077 54.864 54.840 0.169 0.000 0.937 12 L CB 0.212 42.411 42.059 0.234 0.000 1.225 12 L HN -0.013 nan 8.230 nan 0.000 0.507 13 L N 0.412 121.717 121.223 0.137 0.000 2.319 13 L HA 0.456 4.796 4.340 -0.000 0.000 0.267 13 L C -1.984 174.925 176.870 0.064 0.000 1.011 13 L CA -1.689 53.210 54.840 0.099 0.000 0.818 13 L CB 1.827 43.942 42.059 0.092 0.000 1.316 13 L HN -0.193 nan 8.230 nan 0.000 0.432 14 P HA 0.086 nan 4.420 nan 0.000 0.226 14 P C -0.807 176.490 177.300 -0.004 0.000 1.783 14 P CA 0.110 63.237 63.100 0.046 0.000 0.980 14 P CB -0.150 31.613 31.700 0.105 0.000 1.967 15 V N -1.117 118.799 119.914 0.003 0.000 3.040 15 V HA 0.914 5.034 4.120 -0.000 0.000 0.312 15 V C -0.271 175.826 176.094 0.004 0.000 1.115 15 V CA -0.928 61.364 62.300 -0.013 0.000 0.998 15 V CB 2.005 33.819 31.823 -0.015 0.000 1.042 15 V HN 0.369 nan 8.190 nan 0.000 0.433 16 S N 0.519 116.219 115.700 -0.001 0.000 2.794 16 S HA 0.482 4.952 4.470 -0.000 0.000 0.299 16 S C 0.675 175.277 174.600 0.002 0.000 1.179 16 S CA 0.123 58.326 58.200 0.005 0.000 0.838 16 S CB 1.586 64.790 63.200 0.007 0.000 1.206 16 S HN 1.276 nan 8.310 nan 0.000 0.523 17 E N 1.030 121.233 120.200 0.004 0.000 2.333 17 E HA -0.138 4.212 4.350 -0.000 0.000 0.198 17 E C 0.986 177.587 176.600 0.002 0.000 1.007 17 E CA 1.138 57.539 56.400 0.003 0.000 0.845 17 E CB -0.402 29.299 29.700 0.003 0.000 0.766 17 E HN 0.698 nan 8.360 nan 0.000 0.507 18 K N 0.476 120.877 120.400 0.002 0.000 2.305 18 K HA 0.065 4.385 4.320 -0.000 0.000 0.199 18 K C 0.284 176.883 176.600 -0.002 0.000 1.047 18 K CA 0.546 56.834 56.287 0.001 0.000 0.976 18 K CB 0.142 32.644 32.500 0.003 0.000 0.765 18 K HN 0.021 nan 8.250 nan 0.000 0.474 19 T N 4.845 119.395 114.554 -0.007 0.000 2.784 19 T HA 0.081 4.431 4.350 -0.000 0.000 0.291 19 T C -2.286 172.409 174.700 -0.008 0.000 0.942 19 T CA -1.040 61.051 62.100 -0.015 0.000 1.161 19 T CB 0.757 69.608 68.868 -0.028 0.000 0.885 19 T HN 0.096 nan 8.240 nan 0.000 0.534 20 P HA 0.233 nan 4.420 nan 0.000 0.282 20 P C -0.648 176.655 177.300 0.004 0.000 1.262 20 P CA -0.448 62.653 63.100 0.002 0.000 0.773 20 P CB 0.763 32.466 31.700 0.004 0.000 0.879 21 V N 5.706 125.627 119.914 0.011 0.000 2.356 21 V HA 0.083 4.203 4.120 -0.000 0.000 0.258 21 V C 0.726 176.843 176.094 0.038 0.000 1.065 21 V CA -0.245 62.068 62.300 0.021 0.000 0.935 21 V CB 0.023 31.859 31.823 0.021 0.000 1.061 21 V HN 0.394 nan 8.190 nan 0.000 0.484 22 I N 4.832 125.437 120.570 0.058 0.000 2.287 22 I HA 0.395 4.565 4.170 -0.000 0.000 0.290 22 I C 0.391 176.616 176.117 0.181 0.000 1.069 22 I CA 0.593 61.954 61.300 0.100 0.000 1.237 22 I CB 0.645 38.719 38.000 0.124 0.000 1.418 22 I HN 0.610 nan 8.210 nan 0.000 0.481 23 S N 6.455 122.231 115.700 0.125 0.000 2.549 23 S HA 0.697 5.167 4.470 -0.000 0.000 0.280 23 S C -0.153 174.460 174.600 0.022 0.000 1.109 23 S CA -0.529 57.767 58.200 0.159 0.000 0.905 23 S CB 1.635 64.898 63.200 0.106 0.000 1.081 23 S HN 0.518 nan 8.310 nan 0.000 0.477 24 L N 3.818 125.039 121.223 -0.004 0.000 3.168 24 L HA 0.487 4.827 4.340 -0.000 0.000 0.277 24 L C -0.412 176.448 176.870 -0.017 0.000 1.245 24 L CA -0.150 54.620 54.840 -0.115 0.000 1.035 24 L CB -0.083 41.775 42.059 -0.335 0.000 1.399 24 L HN 0.790 nan 8.230 nan 0.000 0.580 25 L N 1.257 122.501 121.223 0.035 0.000 3.550 25 L HA -0.200 4.140 4.340 -0.000 0.000 0.523 25 L C 0.535 177.442 176.870 0.061 0.000 1.312 25 L CA 0.167 55.033 54.840 0.043 0.000 0.864 25 L CB -1.345 40.726 42.059 0.020 0.000 1.592 25 L HN 0.470 nan 8.230 nan 0.000 0.859 26 E N 0.989 121.250 120.200 0.100 0.000 2.292 26 E HA 0.750 5.100 4.350 -0.000 0.000 0.258 26 E C 0.879 177.537 176.600 0.096 0.000 1.115 26 E CA 0.274 56.740 56.400 0.110 0.000 0.929 26 E CB 1.293 31.098 29.700 0.174 0.000 1.161 26 E HN 0.439 nan 8.360 nan 0.000 0.453 27 G N 0.200 109.054 108.800 0.091 0.000 2.741 27 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.222 27 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.222 27 G C -0.084 174.874 174.900 0.097 0.000 1.364 27 G CA 0.212 45.372 45.100 0.099 0.000 0.866 27 G HN 1.300 nan 8.290 nan 0.000 0.555 28 S N -0.824 114.946 115.700 0.116 0.000 3.631 28 S HA -0.159 4.311 4.470 -0.000 0.000 0.366 28 S C 0.859 175.515 174.600 0.093 0.000 0.993 28 S CA 2.511 60.774 58.200 0.105 0.000 1.167 28 S CB -1.989 61.261 63.200 0.083 0.000 0.909 28 S HN 2.341 nan 8.310 nan 0.000 0.478 29 T N -0.612 114.001 114.554 0.099 0.000 2.904 29 T HA 0.572 4.922 4.350 -0.000 0.000 0.290 29 T C -2.419 172.357 174.700 0.127 0.000 1.018 29 T CA -1.996 60.165 62.100 0.102 0.000 1.075 29 T CB 0.729 69.657 68.868 0.100 0.000 0.986 29 T HN -0.024 nan 8.240 nan 0.000 0.523 30 P HA 0.222 nan 4.420 nan 0.000 0.268 30 P C -0.897 176.510 177.300 0.179 0.000 1.205 30 P CA -0.508 62.691 63.100 0.166 0.000 0.771 30 P CB 0.264 32.082 31.700 0.196 0.000 0.858 31 L N 5.067 126.385 121.223 0.159 0.000 2.387 31 L HA 0.375 4.715 4.340 -0.000 0.000 0.259 31 L C -0.763 176.227 176.870 0.200 0.000 1.050 31 L CA -0.161 54.783 54.840 0.174 0.000 0.922 31 L CB -0.495 41.650 42.059 0.143 0.000 1.280 31 L HN 0.244 nan 8.230 nan 0.000 0.449 32 I N 6.602 127.264 120.570 0.153 0.000 2.452 32 I HA 0.239 4.409 4.170 -0.000 0.000 0.287 32 I C -1.815 174.335 176.117 0.054 0.000 1.079 32 I CA -1.577 59.777 61.300 0.090 0.000 1.387 32 I CB 0.786 38.791 38.000 0.007 0.000 1.404 32 I HN 0.429 nan 8.210 nan 0.000 0.522 33 P HA 0.192 nan 4.420 nan 0.000 0.276 33 P C -0.678 176.489 177.300 -0.223 0.000 1.243 33 P CA -0.143 62.792 63.100 -0.275 0.000 0.768 33 P CB 0.874 32.402 31.700 -0.287 0.000 0.856 34 L N 3.861 124.931 121.223 -0.255 0.000 2.395 34 L HA 0.223 4.563 4.340 -0.000 0.000 0.269 34 L C 1.854 178.643 176.870 -0.136 0.000 1.133 34 L CA -0.485 54.260 54.840 -0.158 0.000 0.812 34 L CB 0.502 42.494 42.059 -0.111 0.000 1.125 34 L HN 0.331 nan 8.230 nan 0.000 0.452 35 K N 1.255 121.607 120.400 -0.081 0.000 2.148 35 K HA -0.011 4.309 4.320 -0.000 0.000 0.204 35 K C 0.962 177.554 176.600 -0.014 0.000 1.050 35 K CA 1.186 57.445 56.287 -0.048 0.000 0.942 35 K CB 0.052 32.535 32.500 -0.029 0.000 0.724 35 K HN 0.878 nan 8.250 nan 0.000 0.446 36 G N -0.196 108.625 108.800 0.035 0.000 3.198 36 G HA2 0.240 4.199 3.960 -0.000 0.000 0.166 36 G HA3 0.240 4.199 3.960 -0.000 0.000 0.166 36 G C -2.762 172.163 174.900 0.043 0.000 1.134 36 G CA -0.661 44.472 45.100 0.055 0.000 0.941 36 G HN -0.133 nan 8.290 nan 0.000 0.639 37 P HA 0.236 nan 4.420 nan 0.000 0.289 37 P C 0.221 177.542 177.300 0.035 0.000 1.299 37 P CA -0.021 63.115 63.100 0.060 0.000 0.766 37 P CB 1.586 33.262 31.700 -0.041 0.000 1.226 38 E N 0.488 120.718 120.200 0.051 0.000 2.097 38 E HA -0.250 4.100 4.350 -0.000 0.000 0.196 38 E C 1.645 178.251 176.600 0.011 0.000 1.000 38 E CA 2.020 58.437 56.400 0.028 0.000 0.804 38 E CB -0.801 28.917 29.700 0.029 0.000 0.740 38 E HN 0.359 nan 8.360 nan 0.000 0.454 39 E N 0.200 120.411 120.200 0.018 0.000 2.077 39 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 39 E C 1.979 178.566 176.600 -0.022 0.000 0.989 39 E CA 1.544 57.945 56.400 0.001 0.000 0.800 39 E CB -0.451 29.262 29.700 0.021 0.000 0.746 39 E HN 0.424 nan 8.360 nan 0.000 0.452 40 A N 0.932 123.731 122.820 -0.035 0.000 1.855 40 A HA -0.153 4.167 4.320 -0.000 0.000 0.215 40 A C 2.165 179.724 177.584 -0.042 0.000 1.191 40 A CA 1.649 53.651 52.037 -0.059 0.000 0.613 40 A CB -0.512 18.436 19.000 -0.087 0.000 0.829 40 A HN 0.133 nan 8.150 nan 0.000 0.442 41 R N 0.702 121.184 120.500 -0.029 0.000 2.105 41 R HA -0.214 4.125 4.340 -0.000 0.000 0.239 41 R C 2.162 178.451 176.300 -0.018 0.000 1.135 41 R CA 2.081 58.167 56.100 -0.022 0.000 0.967 41 R CB -0.311 29.982 30.300 -0.013 0.000 0.861 41 R HN 0.692 nan 8.270 nan 0.000 0.442 42 K N 0.091 120.482 120.400 -0.015 0.000 2.211 42 K HA -0.119 4.201 4.320 -0.000 0.000 0.203 42 K C 1.127 177.717 176.600 -0.017 0.000 1.050 42 K CA 1.472 57.751 56.287 -0.013 0.000 0.945 42 K CB 0.060 32.553 32.500 -0.011 0.000 0.732 42 K HN 0.114 nan 8.250 nan 0.000 0.451 43 K N 0.255 120.641 120.400 -0.024 0.000 2.387 43 K HA 0.115 4.435 4.320 -0.000 0.000 0.198 43 K C 0.337 176.919 176.600 -0.029 0.000 1.022 43 K CA 0.362 56.632 56.287 -0.027 0.000 1.128 43 K CB 0.670 33.148 32.500 -0.037 0.000 0.853 43 K HN 0.456 nan 8.250 nan 0.000 0.523 44 G N 2.247 111.032 108.800 -0.025 0.000 2.198 44 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.257 44 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.257 44 G C -0.067 174.814 174.900 -0.032 0.000 1.042 44 G CA -0.137 44.949 45.100 -0.023 0.000 0.791 44 G HN 0.296 nan 8.290 nan 0.000 0.502 45 I N 0.832 121.377 120.570 -0.041 0.000 2.330 45 I HA 0.347 4.517 4.170 -0.000 0.000 0.286 45 I C 0.885 176.978 176.117 -0.039 0.000 1.025 45 I CA -0.709 60.562 61.300 -0.048 0.000 1.197 45 I CB 0.819 38.773 38.000 -0.077 0.000 1.358 45 I HN 0.039 nan 8.210 nan 0.000 0.467 46 R N 5.608 126.104 120.500 -0.007 0.000 2.410 46 R HA 0.643 4.983 4.340 -0.000 0.000 0.288 46 R C -1.117 175.173 176.300 -0.017 0.000 1.051 46 R CA -0.836 55.244 56.100 -0.033 0.000 1.021 46 R CB 1.259 31.559 30.300 0.000 0.000 1.032 46 R HN 0.348 nan 8.270 nan 0.000 0.481 47 L N 3.010 124.149 121.223 -0.139 0.000 2.346 47 L HA 0.449 4.788 4.340 -0.000 0.000 0.274 47 L C -1.062 175.668 176.870 -0.235 0.000 1.007 47 L CA -0.495 54.296 54.840 -0.083 0.000 0.818 47 L CB 1.191 43.197 42.059 -0.087 0.000 1.284 47 L HN 0.449 nan 8.230 nan 0.000 0.424 48 Y N 0.848 121.140 120.300 -0.014 0.000 2.462 48 Y HA 0.750 5.300 4.550 -0.000 0.000 0.346 48 Y C -0.026 175.863 175.900 -0.019 0.000 0.976 48 Y CA -1.083 57.013 58.100 -0.007 0.000 1.044 48 Y CB 2.188 40.657 38.460 0.014 0.000 1.230 48 Y HN 0.574 nan 8.280 nan 0.000 0.455 49 A N 2.927 125.822 122.820 0.125 0.000 2.267 49 A HA 0.571 4.891 4.320 -0.000 0.000 0.315 49 A C -0.738 176.924 177.584 0.130 0.000 1.297 49 A CA -0.946 51.138 52.037 0.077 0.000 0.865 49 A CB 0.454 19.446 19.000 -0.013 0.000 1.165 49 A HN 0.559 nan 8.150 nan 0.000 0.513 50 K N 2.411 122.900 120.400 0.149 0.000 2.262 50 K HA 0.131 4.451 4.320 -0.000 0.000 0.288 50 K C -0.950 175.801 176.600 0.252 0.000 1.090 50 K CA -0.081 56.317 56.287 0.186 0.000 0.918 50 K CB -0.322 32.285 32.500 0.178 0.000 1.139 50 K HN 0.512 nan 8.250 nan 0.000 0.462 51 Y N 4.656 125.010 120.300 0.090 0.000 2.568 51 Y HA 0.100 4.650 4.550 -0.000 0.000 0.338 51 Y C 0.306 176.269 175.900 0.104 0.000 1.245 51 Y CA -0.422 57.727 58.100 0.082 0.000 1.667 51 Y CB 0.162 38.662 38.460 0.066 0.000 1.568 51 Y HN 0.674 nan 8.280 nan 0.000 0.471 52 E N 2.046 122.353 120.200 0.180 0.000 2.516 52 E HA -0.043 4.307 4.350 -0.000 0.000 0.199 52 E C 1.942 178.528 176.600 -0.023 0.000 1.069 52 E CA 0.614 57.076 56.400 0.102 0.000 0.876 52 E CB 0.050 29.884 29.700 0.225 0.000 0.843 52 E HN 0.894 nan 8.360 nan 0.000 0.530 53 G N 0.615 109.276 108.800 -0.233 0.000 2.598 53 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.215 53 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.215 53 G C 1.334 176.059 174.900 -0.291 0.000 1.131 53 G CA 0.002 44.939 45.100 -0.273 0.000 0.785 53 G HN 0.204 nan 8.290 nan 0.000 0.539 54 L N 0.345 121.343 121.223 -0.375 0.000 2.628 54 L HA 0.217 4.557 4.340 -0.000 0.000 0.229 54 L C 0.529 177.362 176.870 -0.062 0.000 1.137 54 L CA -0.439 54.286 54.840 -0.193 0.000 0.909 54 L CB -0.247 41.706 42.059 -0.176 0.000 1.137 54 L HN 0.051 nan 8.230 nan 0.000 0.470 55 N N 1.009 119.689 118.700 -0.033 0.000 2.444 55 N HA 0.089 4.829 4.740 -0.000 0.000 0.255 55 N C -1.528 173.989 175.510 0.011 0.000 1.255 55 N CA -1.080 51.980 53.050 0.018 0.000 0.933 55 N CB 1.165 39.679 38.487 0.044 0.000 1.143 55 N HN -0.213 nan 8.380 nan 0.000 0.453 56 P HA -0.185 nan 4.420 nan 0.000 0.220 56 P C 0.950 178.253 177.300 0.005 0.000 1.155 56 P CA 2.127 65.229 63.100 0.002 0.000 0.880 56 P CB 0.074 31.762 31.700 -0.019 0.000 0.790 57 T N -6.373 108.198 114.554 0.029 0.000 3.134 57 T HA 0.456 4.806 4.350 -0.000 0.000 0.260 57 T C 1.240 175.949 174.700 0.015 0.000 1.027 57 T CA 0.220 62.343 62.100 0.038 0.000 0.913 57 T CB -0.478 68.424 68.868 0.055 0.000 1.046 57 T HN 0.273 nan 8.240 nan 0.000 0.553 58 G N 0.997 109.796 108.800 -0.002 0.000 2.141 58 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.242 58 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.242 58 G C 0.102 175.010 174.900 0.012 0.000 0.982 58 G CA 0.275 45.373 45.100 -0.003 0.000 0.662 58 G HN 1.650 nan 8.290 nan 0.000 0.527 59 S N -1.303 114.394 115.700 -0.004 0.000 2.596 59 S HA 0.660 5.130 4.470 -0.000 0.000 0.270 59 S C 0.731 175.313 174.600 -0.031 0.000 1.155 59 S CA 0.005 58.199 58.200 -0.009 0.000 0.827 59 S CB 0.699 63.834 63.200 -0.108 0.000 1.130 59 S HN 1.388 nan 8.310 nan 0.000 0.467 60 F N 1.051 121.015 119.950 0.022 0.000 2.408 60 F HA 0.215 4.742 4.527 -0.000 0.000 0.300 60 F C 1.801 177.601 175.800 -0.001 0.000 1.090 60 F CA 0.582 58.594 58.000 0.019 0.000 1.427 60 F CB -0.530 38.495 39.000 0.041 0.000 1.070 60 F HN 0.413 nan 8.300 nan 0.000 0.549 61 K N 1.181 121.089 120.400 -0.820 0.000 2.160 61 K HA -0.196 4.124 4.320 -0.000 0.000 0.206 61 K C 1.413 177.848 176.600 -0.275 0.000 1.047 61 K CA 1.557 57.481 56.287 -0.604 0.000 0.930 61 K CB -0.844 31.363 32.500 -0.488 0.000 0.720 61 K HN 0.392 nan 8.250 nan 0.000 0.450 62 D N 0.507 120.815 120.400 -0.154 0.000 2.182 62 D HA -0.138 4.502 4.640 -0.000 0.000 0.201 62 D C 2.013 178.210 176.300 -0.171 0.000 0.986 62 D CA 0.839 54.778 54.000 -0.102 0.000 0.847 62 D CB -0.103 40.773 40.800 0.127 0.000 0.942 62 D HN 0.230 nan 8.370 nan 0.000 0.467 63 R N 0.043 120.499 120.500 -0.072 0.000 2.083 63 R HA -0.073 4.267 4.340 -0.000 0.000 0.237 63 R C 2.386 178.625 176.300 -0.103 0.000 1.137 63 R CA 1.464 57.534 56.100 -0.049 0.000 0.951 63 R CB -0.517 29.788 30.300 0.009 0.000 0.851 63 R HN 0.204 nan 8.270 nan 0.000 0.434 64 G N 0.202 108.936 108.800 -0.109 0.000 2.408 64 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.215 64 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.215 64 G C 1.306 176.095 174.900 -0.186 0.000 1.156 64 G CA 0.164 45.201 45.100 -0.104 0.000 0.793 64 G HN 0.104 nan 8.290 nan 0.000 0.535 65 M N 1.072 120.482 119.600 -0.316 0.000 2.159 65 M HA 0.003 4.483 4.480 -0.000 0.000 0.263 65 M C 2.536 178.463 176.300 -0.621 0.000 1.063 65 M CA 1.794 56.818 55.300 -0.460 0.000 1.110 65 M CB -0.792 31.451 32.600 -0.595 0.000 1.374 65 M HN 0.220 nan 8.290 nan 0.000 0.411 66 T N -0.537 113.583 114.554 -0.722 0.000 2.746 66 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 66 T C 1.648 176.236 174.700 -0.186 0.000 1.039 66 T CA 1.700 63.532 62.100 -0.448 0.000 1.142 66 T CB -0.263 68.501 68.868 -0.173 0.000 0.866 66 T HN 0.340 nan 8.240 nan 0.000 0.444 67 L N 1.024 122.153 121.223 -0.156 0.000 2.072 67 L HA 0.352 4.691 4.340 -0.000 0.000 0.205 67 L C 2.716 179.504 176.870 -0.137 0.000 1.079 67 L CA 1.895 56.661 54.840 -0.123 0.000 0.752 67 L CB -1.243 40.763 42.059 -0.088 0.000 0.906 67 L HN 0.308 nan 8.230 nan 0.000 0.436 68 A N -1.270 121.499 122.820 -0.086 0.000 1.902 68 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 68 A C 2.233 179.805 177.584 -0.019 0.000 1.181 68 A CA 2.049 54.083 52.037 -0.006 0.000 0.623 68 A CB -0.944 18.055 19.000 -0.000 0.000 0.818 68 A HN 0.282 nan 8.150 nan 0.000 0.443 69 V N -0.569 119.310 119.914 -0.058 0.000 2.488 69 V HA -0.147 3.973 4.120 -0.000 0.000 0.246 69 V C 2.741 178.831 176.094 -0.007 0.000 1.046 69 V CA 2.023 64.315 62.300 -0.012 0.000 1.053 69 V CB -0.628 31.207 31.823 0.021 0.000 0.679 69 V HN 0.535 nan 8.190 nan 0.000 0.458 70 S N -0.079 115.603 115.700 -0.030 0.000 2.353 70 S HA -0.188 4.282 4.470 -0.000 0.000 0.222 70 S C 2.042 176.609 174.600 -0.054 0.000 1.035 70 S CA 1.281 59.464 58.200 -0.029 0.000 1.025 70 S CB -0.278 62.898 63.200 -0.040 0.000 0.902 70 S HN 0.429 nan 8.310 nan 0.000 0.440 71 K N 1.611 121.940 120.400 -0.118 0.000 2.280 71 K HA 0.137 4.457 4.320 -0.000 0.000 0.202 71 K C 2.061 178.653 176.600 -0.015 0.000 1.047 71 K CA 0.956 57.157 56.287 -0.143 0.000 0.942 71 K CB -0.636 31.580 32.500 -0.473 0.000 0.739 71 K HN 0.380 nan 8.250 nan 0.000 0.457 72 A N 0.745 123.572 122.820 0.012 0.000 1.898 72 A HA -0.063 4.257 4.320 -0.000 0.000 0.214 72 A C 2.398 179.998 177.584 0.026 0.000 1.183 72 A CA 1.095 53.155 52.037 0.039 0.000 0.622 72 A CB -0.403 18.621 19.000 0.040 0.000 0.824 72 A HN 0.048 nan 8.150 nan 0.000 0.444 73 V N 0.240 120.164 119.914 0.016 0.000 2.548 73 V HA -0.205 3.915 4.120 -0.000 0.000 0.249 73 V C 2.408 178.509 176.094 0.012 0.000 1.055 73 V CA 1.990 64.299 62.300 0.016 0.000 1.065 73 V CB -0.655 31.177 31.823 0.015 0.000 0.681 73 V HN 0.759 nan 8.190 nan 0.000 0.462 74 E N 0.828 121.031 120.200 0.004 0.000 2.153 74 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 74 E C 2.063 178.671 176.600 0.013 0.000 0.988 74 E CA 1.276 57.678 56.400 0.003 0.000 0.811 74 E CB -0.246 29.448 29.700 -0.010 0.000 0.746 74 E HN 0.598 nan 8.360 nan 0.000 0.466 75 G N -0.807 108.005 108.800 0.021 0.000 2.985 75 G HA2 0.183 4.143 3.960 -0.000 0.000 0.209 75 G HA3 0.183 4.143 3.960 -0.000 0.000 0.209 75 G C 0.952 175.866 174.900 0.025 0.000 1.165 75 G CA 0.242 45.358 45.100 0.028 0.000 0.776 75 G HN 0.469 nan 8.290 nan 0.000 0.541 76 G N -1.085 107.728 108.800 0.021 0.000 2.157 76 G HA2 0.103 4.063 3.960 -0.000 0.000 0.239 76 G HA3 0.103 4.063 3.960 -0.000 0.000 0.239 76 G C 0.604 175.518 174.900 0.024 0.000 0.982 76 G CA 0.163 45.276 45.100 0.021 0.000 0.650 76 G HN 1.383 nan 8.290 nan 0.000 0.527 77 A N -0.496 122.340 122.820 0.027 0.000 2.565 77 A HA 0.529 4.849 4.320 -0.000 0.000 0.237 77 A C 1.098 178.698 177.584 0.026 0.000 1.053 77 A CA 1.709 53.764 52.037 0.030 0.000 0.755 77 A CB 0.452 19.472 19.000 0.033 0.000 0.980 77 A HN 0.595 nan 8.150 nan 0.000 0.506 78 Q N 0.314 120.130 119.800 0.028 0.000 2.317 78 Q HA 0.494 4.834 4.340 -0.000 0.000 0.220 78 Q C 0.106 176.120 176.000 0.023 0.000 0.873 78 Q CA 1.133 56.950 55.803 0.024 0.000 0.936 78 Q CB 0.541 29.294 28.738 0.025 0.000 1.105 78 Q HN 1.111 nan 8.270 nan 0.000 0.520 79 A N -0.730 122.105 122.820 0.025 0.000 2.604 79 A HA 0.659 4.978 4.320 -0.000 0.000 0.295 79 A C -1.338 176.261 177.584 0.025 0.000 1.067 79 A CA -0.361 51.689 52.037 0.021 0.000 0.683 79 A CB 1.046 20.056 19.000 0.016 0.000 1.281 79 A HN 0.216 nan 8.150 nan 0.000 0.407 80 V N -2.147 117.780 119.914 0.021 0.000 3.074 80 V HA 1.061 5.181 4.120 -0.000 0.000 0.314 80 V C -0.021 176.083 176.094 0.017 0.000 1.117 80 V CA -0.374 61.940 62.300 0.023 0.000 1.014 80 V CB 1.261 33.098 31.823 0.024 0.000 1.057 80 V HN 2.545 nan 8.190 nan 0.000 0.438 81 A N 0.842 123.673 122.820 0.018 0.000 2.594 81 A HA 0.981 5.301 4.320 -0.000 0.000 0.295 81 A C -0.572 177.023 177.584 0.018 0.000 1.071 81 A CA -0.018 52.027 52.037 0.013 0.000 0.685 81 A CB 1.409 20.412 19.000 0.005 0.000 1.285 81 A HN 2.669 nan 8.150 nan 0.000 0.405 82 C N -0.335 118.977 119.300 0.020 0.000 3.241 82 C HA 0.900 5.359 4.460 -0.000 0.000 0.348 82 C C 0.097 175.110 174.990 0.039 0.000 1.180 82 C CA -0.205 58.832 59.018 0.033 0.000 1.273 82 C CB 0.750 28.517 27.740 0.045 0.000 1.620 82 C HN 2.290 nan 8.230 nan 0.000 0.510 83 A N 1.684 124.525 122.820 0.035 0.000 2.271 83 A HA 0.947 5.267 4.320 -0.000 0.000 0.288 83 A C 0.142 177.860 177.584 0.223 0.000 1.094 83 A CA 0.256 52.306 52.037 0.023 0.000 0.828 83 A CB 0.919 19.800 19.000 -0.197 0.000 1.091 83 A HN 2.388 nan 8.150 nan 0.000 0.493 84 S N -1.758 114.135 115.700 0.321 0.000 2.586 84 S HA 0.425 4.895 4.470 -0.000 0.000 0.277 84 S C 0.304 175.093 174.600 0.315 0.000 1.131 84 S CA 0.238 58.663 58.200 0.374 0.000 0.848 84 S CB 0.700 63.998 63.200 0.164 0.000 1.091 84 S HN 1.511 nan 8.310 nan 0.000 0.453 85 T N 0.234 114.867 114.554 0.132 0.000 3.107 85 T HA 0.527 4.877 4.350 -0.000 0.000 0.249 85 T C 1.335 176.065 174.700 0.050 0.000 1.096 85 T CA 1.010 63.150 62.100 0.066 0.000 1.012 85 T CB 0.220 69.033 68.868 -0.091 0.000 0.977 85 T HN 1.732 nan 8.240 nan 0.000 0.527 86 G N 1.572 110.401 108.800 0.048 0.000 3.180 86 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.197 86 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.197 86 G C 0.985 175.891 174.900 0.010 0.000 1.149 86 G CA 0.081 45.201 45.100 0.033 0.000 0.847 86 G HN 0.331 nan 8.290 nan 0.000 0.469 87 N N 0.986 119.671 118.700 -0.025 0.000 2.250 87 N HA 0.015 4.755 4.740 -0.000 0.000 0.181 87 N C 2.138 177.599 175.510 -0.082 0.000 1.017 87 N CA 1.815 54.828 53.050 -0.061 0.000 0.866 87 N CB -0.457 37.965 38.487 -0.108 0.000 0.985 87 N HN 0.443 nan 8.380 nan 0.000 0.429 88 T N 1.004 115.512 114.554 -0.077 0.000 2.821 88 T HA 0.000 4.350 4.350 -0.000 0.000 0.267 88 T C 1.974 176.665 174.700 -0.014 0.000 1.046 88 T CA 1.195 63.255 62.100 -0.067 0.000 1.139 88 T CB -0.195 68.660 68.868 -0.022 0.000 0.871 88 T HN 0.294 nan 8.240 nan 0.000 0.454 89 A N 1.509 124.341 122.820 0.019 0.000 1.873 89 A HA 0.188 4.508 4.320 -0.000 0.000 0.215 89 A C 2.650 180.254 177.584 0.034 0.000 1.186 89 A CA 1.757 53.815 52.037 0.035 0.000 0.616 89 A CB -1.122 17.909 19.000 0.051 0.000 0.823 89 A HN 0.491 nan 8.150 nan 0.000 0.442 90 A N -0.857 121.985 122.820 0.036 0.000 1.902 90 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 90 A C 2.492 180.096 177.584 0.032 0.000 1.181 90 A CA 2.239 54.314 52.037 0.063 0.000 0.623 90 A CB -0.979 18.059 19.000 0.063 0.000 0.818 90 A HN 0.544 nan 8.150 nan 0.000 0.443 91 S N -0.521 115.192 115.700 0.022 0.000 2.348 91 S HA -0.043 4.426 4.470 -0.000 0.000 0.221 91 S C 2.246 176.916 174.600 0.117 0.000 1.033 91 S CA 1.625 59.869 58.200 0.074 0.000 1.010 91 S CB -0.546 62.650 63.200 -0.007 0.000 0.891 91 S HN 0.845 nan 8.310 nan 0.000 0.442 92 A N 1.505 124.349 122.820 0.041 0.000 1.908 92 A HA 0.062 4.382 4.320 -0.000 0.000 0.218 92 A C 2.463 180.064 177.584 0.027 0.000 1.181 92 A CA 2.120 54.181 52.037 0.041 0.000 0.627 92 A CB -1.452 17.559 19.000 0.018 0.000 0.818 92 A HN 0.781 nan 8.150 nan 0.000 0.445 93 A N -0.374 122.441 122.820 -0.009 0.000 1.933 93 A HA 0.144 4.464 4.320 -0.000 0.000 0.218 93 A C 2.488 179.946 177.584 -0.210 0.000 1.175 93 A CA 2.202 54.213 52.037 -0.043 0.000 0.628 93 A CB -0.931 18.087 19.000 0.031 0.000 0.814 93 A HN 1.062 nan 8.150 nan 0.000 0.444 94 A N -1.572 121.003 122.820 -0.408 0.000 1.872 94 A HA 0.002 4.322 4.320 -0.000 0.000 0.214 94 A C 2.050 179.406 177.584 -0.380 0.000 1.187 94 A CA 1.389 53.006 52.037 -0.700 0.000 0.614 94 A CB -0.748 17.817 19.000 -0.724 0.000 0.826 94 A HN 0.551 nan 8.150 nan 0.000 0.442 95 Y N -0.091 120.100 120.300 -0.182 0.000 2.439 95 Y HA 0.042 4.592 4.550 0.000 0.000 0.292 95 Y C 2.748 178.601 175.900 -0.078 0.000 1.130 95 Y CA 0.610 58.647 58.100 -0.106 0.000 1.254 95 Y CB -0.283 38.131 38.460 -0.077 0.000 1.000 95 Y HN 0.342 nan 8.280 nan 0.000 0.554 96 A N -0.116 122.729 122.820 0.042 0.000 1.897 96 A HA -0.019 4.301 4.320 -0.000 0.000 0.215 96 A C 2.417 179.995 177.584 -0.010 0.000 1.181 96 A CA 1.375 53.425 52.037 0.021 0.000 0.620 96 A CB -1.065 17.944 19.000 0.015 0.000 0.821 96 A HN 0.347 nan 8.150 nan 0.000 0.443 97 A N -0.241 122.550 122.820 -0.047 0.000 1.972 97 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 97 A C 2.170 179.726 177.584 -0.046 0.000 1.169 97 A CA 2.056 54.071 52.037 -0.037 0.000 0.635 97 A CB -0.399 18.581 19.000 -0.034 0.000 0.810 97 A HN 0.429 nan 8.150 nan 0.000 0.446 98 R N 0.099 120.548 120.500 -0.084 0.000 2.075 98 R HA 0.066 4.406 4.340 -0.000 0.000 0.232 98 R C 1.941 178.224 176.300 -0.029 0.000 1.126 98 R CA 1.761 57.811 56.100 -0.082 0.000 0.963 98 R CB -0.714 29.489 30.300 -0.161 0.000 0.858 98 R HN 0.366 nan 8.270 nan 0.000 0.435 99 A N -1.102 121.716 122.820 -0.003 0.000 2.169 99 A HA 0.292 4.612 4.320 -0.000 0.000 0.212 99 A C 1.358 178.947 177.584 0.008 0.000 1.153 99 A CA 0.691 52.736 52.037 0.014 0.000 0.756 99 A CB -0.455 18.565 19.000 0.034 0.000 0.813 99 A HN 0.541 nan 8.150 nan 0.000 0.471 100 G N -0.331 108.471 108.800 0.002 0.000 2.147 100 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.244 100 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.244 100 G C 0.203 175.108 174.900 0.008 0.000 1.005 100 G CA 0.540 45.642 45.100 0.004 0.000 0.713 100 G HN 1.359 nan 8.290 nan 0.000 0.515 101 I N -2.986 117.591 120.570 0.011 0.000 3.133 101 I HA 0.925 5.095 4.170 -0.000 0.000 0.311 101 I C 0.290 176.415 176.117 0.012 0.000 1.072 101 I CA -1.865 59.444 61.300 0.013 0.000 1.015 101 I CB 1.513 39.524 38.000 0.018 0.000 1.233 101 I HN 0.033 nan 8.210 nan 0.000 0.473 102 L N 2.718 123.948 121.223 0.012 0.000 2.395 102 L HA 0.744 5.084 4.340 -0.000 0.000 0.269 102 L C -0.254 176.622 176.870 0.010 0.000 1.133 102 L CA 0.157 55.003 54.840 0.009 0.000 0.812 102 L CB 1.123 43.184 42.059 0.004 0.000 1.125 102 L HN 0.842 nan 8.230 nan 0.000 0.452 103 A N 6.238 129.063 122.820 0.009 0.000 2.330 103 A HA 0.729 5.049 4.320 -0.000 0.000 0.313 103 A C -0.897 176.691 177.584 0.006 0.000 1.124 103 A CA -0.469 51.575 52.037 0.011 0.000 0.774 103 A CB 0.580 19.589 19.000 0.015 0.000 1.198 103 A HN 0.671 nan 8.150 nan 0.000 0.465 104 I N 3.245 123.815 120.570 0.001 0.000 2.389 104 I HA 0.470 4.640 4.170 -0.000 0.000 0.288 104 I C -0.492 175.626 176.117 0.002 0.000 0.999 104 I CA -0.949 60.346 61.300 -0.008 0.000 1.129 104 I CB 1.980 39.963 38.000 -0.029 0.000 1.288 104 I HN 0.507 nan 8.210 nan 0.000 0.444 105 V N 4.697 124.616 119.914 0.008 0.000 2.487 105 V HA 0.580 4.700 4.120 -0.000 0.000 0.298 105 V C -0.465 175.640 176.094 0.018 0.000 1.028 105 V CA -0.655 61.657 62.300 0.021 0.000 0.860 105 V CB 1.631 33.474 31.823 0.033 0.000 0.991 105 V HN 0.368 nan 8.190 nan 0.000 0.427 106 V N 6.534 126.461 119.914 0.021 0.000 2.311 106 V HA 0.473 4.593 4.120 -0.000 0.000 0.275 106 V C 0.039 176.159 176.094 0.044 0.000 1.022 106 V CA -0.277 62.032 62.300 0.016 0.000 0.830 106 V CB 0.817 32.635 31.823 -0.008 0.000 1.012 106 V HN 0.804 nan 8.190 nan 0.000 0.452 107 L N 7.166 128.420 121.223 0.052 0.000 2.325 107 L HA 0.570 4.910 4.340 -0.000 0.000 0.278 107 L C -2.279 174.644 176.870 0.088 0.000 1.023 107 L CA -2.015 52.874 54.840 0.081 0.000 0.811 107 L CB 2.355 44.456 42.059 0.069 0.000 1.249 107 L HN 0.354 nan 8.230 nan 0.000 0.431 108 P HA 0.113 nan 4.420 nan 0.000 0.280 108 P C -0.440 176.952 177.300 0.154 0.000 1.300 108 P CA -0.246 62.950 63.100 0.159 0.000 0.785 108 P CB 1.102 32.937 31.700 0.224 0.000 0.874 109 A N 3.843 126.730 122.820 0.113 0.000 2.566 109 A HA 0.338 4.657 4.320 -0.000 0.000 0.245 109 A C 1.662 179.257 177.584 0.018 0.000 1.056 109 A CA 0.907 52.980 52.037 0.060 0.000 0.757 109 A CB -1.329 17.699 19.000 0.048 0.000 0.979 109 A HN 0.861 nan 8.150 nan 0.000 0.508 110 G N 1.029 109.763 108.800 -0.109 0.000 2.189 110 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.267 110 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.267 110 G C 0.147 174.627 174.900 -0.701 0.000 0.975 110 G CA 1.145 46.022 45.100 -0.371 0.000 0.644 110 G HN 1.028 nan 8.290 nan 0.000 0.537 111 Y N -0.324 119.995 120.300 0.033 0.000 2.699 111 Y HA 0.557 5.107 4.550 -0.000 0.000 0.282 111 Y C 0.319 176.239 175.900 0.033 0.000 1.058 111 Y CA -0.617 57.503 58.100 0.033 0.000 1.194 111 Y CB 1.031 39.516 38.460 0.043 0.000 1.193 111 Y HN 0.148 nan 8.280 nan 0.000 0.562 112 V N 0.752 120.707 119.914 0.069 0.000 2.483 112 V HA 0.693 4.813 4.120 -0.000 0.000 0.297 112 V C 0.311 176.420 176.094 0.026 0.000 1.027 112 V CA -1.563 60.774 62.300 0.061 0.000 0.855 112 V CB 1.311 33.169 31.823 0.058 0.000 0.995 112 V HN 0.369 nan 8.190 nan 0.000 0.424 113 A N 4.019 126.856 122.820 0.029 0.000 2.520 113 A HA 0.309 4.628 4.320 -0.000 0.000 0.235 113 A C 1.290 178.883 177.584 0.016 0.000 1.065 113 A CA 0.364 52.412 52.037 0.019 0.000 0.764 113 A CB 0.031 19.044 19.000 0.021 0.000 1.002 113 A HN 1.324 nan 8.150 nan 0.000 0.502 114 L N 1.540 122.771 121.223 0.014 0.000 2.191 114 L HA 0.088 4.428 4.340 -0.000 0.000 0.212 114 L C 1.907 178.786 176.870 0.014 0.000 1.103 114 L CA 2.135 56.982 54.840 0.011 0.000 0.769 114 L CB -0.891 41.174 42.059 0.011 0.000 0.908 114 L HN 0.622 nan 8.230 nan 0.000 0.438 115 G N 0.658 109.471 108.800 0.021 0.000 2.404 115 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.215 115 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.215 115 G C 1.591 176.500 174.900 0.014 0.000 1.174 115 G CA 0.862 45.972 45.100 0.017 0.000 0.780 115 G HN 0.493 nan 8.290 nan 0.000 0.537 116 K N 0.099 120.510 120.400 0.019 0.000 2.097 116 K HA 0.010 4.330 4.320 -0.000 0.000 0.206 116 K C 2.479 179.096 176.600 0.027 0.000 1.049 116 K CA 0.951 57.252 56.287 0.025 0.000 0.933 116 K CB -0.241 32.273 32.500 0.024 0.000 0.717 116 K HN 0.220 nan 8.250 nan 0.000 0.442 117 V N 1.546 121.472 119.914 0.020 0.000 2.358 117 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 117 V C 2.401 178.501 176.094 0.009 0.000 1.047 117 V CA 1.969 64.279 62.300 0.017 0.000 1.035 117 V CB -0.685 31.144 31.823 0.009 0.000 0.658 117 V HN 0.353 nan 8.190 nan 0.000 0.452 118 A N -0.795 122.025 122.820 -0.000 0.000 1.940 118 A HA -0.299 4.021 4.320 -0.000 0.000 0.219 118 A C 2.189 179.753 177.584 -0.034 0.000 1.176 118 A CA 2.043 54.069 52.037 -0.018 0.000 0.631 118 A CB -0.439 18.548 19.000 -0.022 0.000 0.814 118 A HN 0.639 nan 8.150 nan 0.000 0.446 119 Q N -0.599 119.196 119.800 -0.009 0.000 1.990 119 Q HA -0.114 4.226 4.340 -0.000 0.000 0.200 119 Q C 2.512 178.561 176.000 0.082 0.000 0.980 119 Q CA 1.750 57.561 55.803 0.013 0.000 0.832 119 Q CB -0.251 28.543 28.738 0.093 0.000 0.897 119 Q HN 0.632 nan 8.270 nan 0.000 0.427 120 S N 1.008 116.761 115.700 0.088 0.000 2.383 120 S HA -0.135 4.335 4.470 -0.000 0.000 0.229 120 S C 1.948 176.586 174.600 0.063 0.000 1.030 120 S CA 0.940 59.195 58.200 0.093 0.000 1.002 120 S CB -0.242 62.994 63.200 0.060 0.000 0.829 120 S HN 0.243 nan 8.310 nan 0.000 0.467 121 L N 0.384 121.621 121.223 0.024 0.000 1.994 121 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 121 L C 2.483 179.346 176.870 -0.013 0.000 1.071 121 L CA 1.115 55.958 54.840 0.004 0.000 0.745 121 L CB -0.547 41.507 42.059 -0.009 0.000 0.892 121 L HN 0.225 nan 8.230 nan 0.000 0.431 122 V N -0.957 118.920 119.914 -0.061 0.000 2.515 122 V HA -0.263 3.856 4.120 -0.000 0.000 0.250 122 V C 2.361 178.393 176.094 -0.104 0.000 1.058 122 V CA 1.552 63.785 62.300 -0.113 0.000 1.064 122 V CB -0.623 31.083 31.823 -0.196 0.000 0.675 122 V HN 0.475 nan 8.190 nan 0.000 0.461 123 H N 0.351 119.413 119.070 -0.014 0.000 2.563 123 H HA 0.166 4.721 4.556 -0.000 0.000 0.272 123 H C 1.822 177.143 175.328 -0.012 0.000 1.005 123 H CA 0.604 56.642 56.048 -0.017 0.000 1.171 123 H CB -0.326 29.426 29.762 -0.016 0.000 1.351 123 H HN 0.596 nan 8.280 nan 0.000 0.602 124 G N 0.538 109.393 108.800 0.090 0.000 2.198 124 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.257 124 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.257 124 G C 0.433 175.361 174.900 0.046 0.000 1.042 124 G CA 0.354 45.485 45.100 0.052 0.000 0.791 124 G HN 0.700 nan 8.290 nan 0.000 0.502 125 A N -0.422 122.431 122.820 0.055 0.000 2.332 125 A HA 0.747 5.067 4.320 -0.000 0.000 0.258 125 A C 0.832 178.428 177.584 0.020 0.000 1.087 125 A CA -0.241 51.818 52.037 0.036 0.000 0.802 125 A CB 0.421 19.446 19.000 0.043 0.000 1.042 125 A HN 0.496 nan 8.150 nan 0.000 0.489 126 R N 1.142 121.647 120.500 0.008 0.000 2.248 126 R HA 0.309 4.649 4.340 -0.000 0.000 0.337 126 R C -0.868 175.431 176.300 -0.002 0.000 1.106 126 R CA 0.104 56.203 56.100 -0.003 0.000 0.959 126 R CB 0.034 30.324 30.300 -0.016 0.000 1.075 126 R HN 0.638 nan 8.270 nan 0.000 0.480 127 I N 3.610 124.181 120.570 0.003 0.000 2.395 127 I HA 0.169 4.339 4.170 -0.000 0.000 0.289 127 I C -0.165 175.952 176.117 -0.001 0.000 1.023 127 I CA -0.578 60.725 61.300 0.006 0.000 1.350 127 I CB 1.588 39.595 38.000 0.012 0.000 1.409 127 I HN 0.190 nan 8.210 nan 0.000 0.507 128 V N 6.452 126.367 119.914 0.001 0.000 2.380 128 V HA 0.239 4.359 4.120 -0.000 0.000 0.286 128 V C -0.295 175.804 176.094 0.008 0.000 1.015 128 V CA -0.734 61.564 62.300 -0.004 0.000 0.834 128 V CB 1.326 33.139 31.823 -0.016 0.000 1.009 128 V HN 0.678 nan 8.190 nan 0.000 0.428 129 Q N 3.347 123.153 119.800 0.011 0.000 2.294 129 Q HA 0.559 4.899 4.340 -0.000 0.000 0.257 129 Q C -0.334 175.679 176.000 0.021 0.000 0.955 129 Q CA -0.433 55.383 55.803 0.021 0.000 0.936 129 Q CB 2.333 31.082 28.738 0.018 0.000 1.188 129 Q HN 0.753 nan 8.270 nan 0.000 0.420 130 V N -0.190 119.741 119.914 0.030 0.000 2.630 130 V HA 0.330 4.450 4.120 -0.000 0.000 0.305 130 V C 0.002 176.121 176.094 0.042 0.000 1.046 130 V CA -0.964 61.352 62.300 0.026 0.000 0.934 130 V CB 1.631 33.463 31.823 0.016 0.000 1.003 130 V HN 0.718 nan 8.190 nan 0.000 0.451 131 E N 3.095 123.317 120.200 0.036 0.000 1.972 131 E HA 0.531 4.880 4.350 -0.000 0.000 0.292 131 E C 0.391 177.021 176.600 0.050 0.000 1.193 131 E CA 0.278 56.707 56.400 0.047 0.000 1.228 131 E CB 0.254 29.975 29.700 0.035 0.000 1.167 131 E HN 1.056 nan 8.360 nan 0.000 0.479 132 G N 1.654 110.493 108.800 0.064 0.000 2.495 132 G HA2 0.184 4.144 3.960 -0.000 0.000 0.294 132 G HA3 0.184 4.144 3.960 -0.000 0.000 0.294 132 G C -1.054 173.889 174.900 0.072 0.000 1.397 132 G CA -1.011 44.121 45.100 0.052 0.000 0.790 132 G HN 0.333 nan 8.290 nan 0.000 0.486 133 N N -1.353 117.375 118.700 0.047 0.000 2.448 133 N HA 0.467 5.207 4.740 -0.000 0.000 0.274 133 N C 1.061 176.625 175.510 0.090 0.000 1.239 133 N CA -0.674 52.415 53.050 0.065 0.000 0.982 133 N CB 0.664 39.165 38.487 0.023 0.000 1.199 133 N HN 0.428 nan 8.380 nan 0.000 0.576 134 F N 0.211 120.171 119.950 0.016 0.000 2.091 134 F HA -0.213 4.314 4.527 -0.000 0.000 0.299 134 F C 1.379 177.193 175.800 0.024 0.000 1.103 134 F CA 1.870 59.886 58.000 0.025 0.000 1.228 134 F CB -0.361 38.653 39.000 0.023 0.000 0.984 134 F HN 0.446 nan 8.300 nan 0.000 0.477 135 D N 0.268 120.644 120.400 -0.040 0.000 2.149 135 D HA -0.206 4.434 4.640 -0.000 0.000 0.198 135 D C 1.775 177.971 176.300 -0.173 0.000 0.990 135 D CA 1.673 55.599 54.000 -0.123 0.000 0.839 135 D CB -0.485 40.344 40.800 0.049 0.000 0.948 135 D HN 0.429 nan 8.370 nan 0.000 0.460 136 D N 0.801 121.138 120.400 -0.105 0.000 2.117 136 D HA -0.071 4.569 4.640 -0.000 0.000 0.198 136 D C 2.127 178.355 176.300 -0.120 0.000 0.982 136 D CA 0.986 54.938 54.000 -0.081 0.000 0.828 136 D CB -0.192 40.590 40.800 -0.031 0.000 0.967 136 D HN 0.126 nan 8.370 nan 0.000 0.464 137 A N 0.874 123.596 122.820 -0.164 0.000 1.930 137 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 137 A C 2.161 179.603 177.584 -0.238 0.000 1.175 137 A CA 0.823 52.762 52.037 -0.163 0.000 0.627 137 A CB -0.628 18.297 19.000 -0.124 0.000 0.815 137 A HN 0.206 nan 8.150 nan 0.000 0.443 138 L N -0.054 120.903 121.223 -0.443 0.000 2.017 138 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 138 L C 2.451 179.207 176.870 -0.190 0.000 1.073 138 L CA 2.382 56.984 54.840 -0.396 0.000 0.745 138 L CB -0.640 41.055 42.059 -0.606 0.000 0.894 138 L HN 0.472 nan 8.230 nan 0.000 0.432 139 R N -0.727 119.677 120.500 -0.161 0.000 2.083 139 R HA -0.170 4.170 4.340 -0.000 0.000 0.237 139 R C 2.298 178.564 176.300 -0.057 0.000 1.137 139 R CA 2.019 58.069 56.100 -0.084 0.000 0.951 139 R CB -0.384 29.877 30.300 -0.066 0.000 0.851 139 R HN 0.447 nan 8.270 nan 0.000 0.434 140 L N -0.348 120.837 121.223 -0.063 0.000 2.056 140 L HA -0.137 4.202 4.340 -0.000 0.000 0.207 140 L C 2.406 179.263 176.870 -0.022 0.000 1.078 140 L CA 1.637 56.458 54.840 -0.032 0.000 0.749 140 L CB -0.492 41.547 42.059 -0.033 0.000 0.901 140 L HN 0.268 nan 8.230 nan 0.000 0.433 141 T N -1.049 113.479 114.554 -0.043 0.000 2.821 141 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 141 T C 1.898 176.595 174.700 -0.005 0.000 1.046 141 T CA 1.086 63.171 62.100 -0.025 0.000 1.139 141 T CB -0.114 68.729 68.868 -0.041 0.000 0.871 141 T HN 0.376 nan 8.240 nan 0.000 0.454 142 Q N 0.789 120.579 119.800 -0.016 0.000 2.079 142 Q HA -0.059 4.281 4.340 -0.000 0.000 0.200 142 Q C 2.370 178.380 176.000 0.017 0.000 0.974 142 Q CA 1.120 56.923 55.803 -0.001 0.000 0.840 142 Q CB -0.150 28.582 28.738 -0.011 0.000 0.898 142 Q HN 0.488 nan 8.270 nan 0.000 0.430 143 K N 0.415 120.825 120.400 0.017 0.000 2.147 143 K HA -0.144 4.176 4.320 -0.000 0.000 0.205 143 K C 2.036 178.684 176.600 0.080 0.000 1.049 143 K CA 0.752 57.060 56.287 0.034 0.000 0.936 143 K CB -0.113 32.404 32.500 0.028 0.000 0.722 143 K HN 0.059 nan 8.250 nan 0.000 0.446 144 L N 1.266 122.545 121.223 0.093 0.000 2.056 144 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 144 L C 2.307 179.308 176.870 0.218 0.000 1.078 144 L CA 1.944 56.888 54.840 0.174 0.000 0.749 144 L CB -0.666 41.436 42.059 0.072 0.000 0.901 144 L HN 0.280 nan 8.230 nan 0.000 0.433 145 T N -4.445 110.179 114.554 0.116 0.000 3.023 145 T HA -0.077 4.273 4.350 -0.000 0.000 0.266 145 T C 1.560 176.310 174.700 0.084 0.000 1.093 145 T CA 1.085 63.247 62.100 0.102 0.000 1.129 145 T CB -0.381 68.521 68.868 0.057 0.000 0.899 145 T HN 0.463 nan 8.240 nan 0.000 0.491 146 E N 0.992 121.229 120.200 0.062 0.000 2.299 146 E HA 0.260 4.610 4.350 -0.000 0.000 0.193 146 E C 2.318 178.915 176.600 -0.005 0.000 0.998 146 E CA 0.590 57.004 56.400 0.023 0.000 0.851 146 E CB -0.058 29.648 29.700 0.010 0.000 0.795 146 E HN 0.686 nan 8.360 nan 0.000 0.492 147 A N 0.510 123.339 122.820 0.014 0.000 1.924 147 A HA 0.149 4.469 4.320 -0.000 0.000 0.211 147 A C 0.556 177.922 177.584 -0.363 0.000 1.198 147 A CA 0.496 52.432 52.037 -0.168 0.000 0.657 147 A CB 0.191 19.107 19.000 -0.140 0.000 0.852 147 A HN 0.046 nan 8.150 nan 0.000 0.454 148 F N -0.796 119.153 119.950 -0.001 0.000 2.575 148 F HA 0.464 4.991 4.527 -0.000 0.000 0.330 148 F C -2.117 173.684 175.800 0.003 0.000 1.056 148 F CA -2.629 55.372 58.000 0.001 0.000 0.964 148 F CB 1.024 40.025 39.000 0.002 0.000 1.258 148 F HN -0.134 nan 8.300 nan 0.000 0.484 149 P HA 0.140 nan 4.420 nan 0.000 0.241 149 P C -1.001 176.360 177.300 0.101 0.000 1.760 149 P CA 0.384 63.550 63.100 0.110 0.000 1.081 149 P CB 0.066 31.817 31.700 0.085 0.000 1.975 150 V N 1.758 121.732 119.914 0.099 0.000 2.612 150 V HA 0.479 4.599 4.120 -0.000 0.000 0.301 150 V C 0.307 176.435 176.094 0.056 0.000 1.059 150 V CA -1.202 61.139 62.300 0.068 0.000 0.886 150 V CB 1.957 33.816 31.823 0.060 0.000 1.007 150 V HN 0.398 nan 8.190 nan 0.000 0.426 151 A N 4.620 127.467 122.820 0.045 0.000 2.450 151 A HA 0.591 4.910 4.320 -0.000 0.000 0.255 151 A C -0.484 177.122 177.584 0.036 0.000 1.096 151 A CA -0.043 52.019 52.037 0.042 0.000 0.778 151 A CB 0.230 19.256 19.000 0.044 0.000 1.031 151 A HN 0.923 nan 8.150 nan 0.000 0.494 152 L N 4.220 125.463 121.223 0.033 0.000 2.290 152 L HA 0.425 4.765 4.340 -0.000 0.000 0.284 152 L C 0.811 177.697 176.870 0.028 0.000 1.078 152 L CA 0.347 55.203 54.840 0.028 0.000 0.815 152 L CB 1.441 43.514 42.059 0.023 0.000 1.162 152 L HN 0.664 nan 8.230 nan 0.000 0.435 153 V N 0.833 120.762 119.914 0.026 0.000 3.483 153 V HA 0.368 4.488 4.120 -0.000 0.000 0.301 153 V C 0.857 176.965 176.094 0.023 0.000 1.389 153 V CA -0.418 61.895 62.300 0.022 0.000 1.101 153 V CB -1.410 30.418 31.823 0.008 0.000 0.971 153 V HN 0.825 nan 8.190 nan 0.000 0.434 154 N N 1.772 120.494 118.700 0.036 0.000 2.371 154 N HA 0.107 4.847 4.740 -0.000 0.000 0.243 154 N C 1.578 177.120 175.510 0.055 0.000 1.287 154 N CA 0.725 53.811 53.050 0.060 0.000 0.911 154 N CB 0.791 39.323 38.487 0.075 0.000 1.142 154 N HN 0.435 nan 8.380 nan 0.000 0.451 155 S N -0.437 115.309 115.700 0.076 0.000 2.493 155 S HA -0.159 4.311 4.470 -0.000 0.000 0.243 155 S C 1.808 176.439 174.600 0.053 0.000 0.991 155 S CA 0.851 59.091 58.200 0.067 0.000 0.957 155 S CB -0.462 62.793 63.200 0.091 0.000 0.756 155 S HN 0.483 nan 8.310 nan 0.000 0.521 156 V N 2.118 122.063 119.914 0.052 0.000 2.594 156 V HA -0.071 4.048 4.120 -0.000 0.000 0.253 156 V C 0.886 176.981 176.094 0.002 0.000 1.069 156 V CA 1.725 64.045 62.300 0.033 0.000 1.082 156 V CB -1.058 30.783 31.823 0.030 0.000 0.680 156 V HN 0.653 nan 8.190 nan 0.000 0.469 157 N N 0.930 119.629 118.700 -0.002 0.000 2.416 157 N HA 0.129 4.869 4.740 -0.000 0.000 0.265 157 N C -1.648 173.828 175.510 -0.056 0.000 1.195 157 N CA -1.606 51.419 53.050 -0.042 0.000 0.943 157 N CB 1.363 39.846 38.487 -0.007 0.000 1.115 157 N HN 0.226 nan 8.380 nan 0.000 0.481 158 P HA -0.141 nan 4.420 nan 0.000 0.219 158 P C 0.428 177.709 177.300 -0.031 0.000 1.144 158 P CA 1.409 64.453 63.100 -0.093 0.000 0.806 158 P CB 0.044 31.660 31.700 -0.141 0.000 0.771 159 H N -1.507 117.559 119.070 -0.006 0.000 2.456 159 H HA -0.004 4.552 4.556 -0.000 0.000 0.296 159 H C 2.137 177.447 175.328 -0.031 0.000 1.079 159 H CA 0.322 56.360 56.048 -0.017 0.000 1.322 159 H CB 0.106 29.857 29.762 -0.018 0.000 1.388 159 H HN -0.038 nan 8.280 nan 0.000 0.538 160 R N 0.622 121.174 120.500 0.088 0.000 2.075 160 R HA -0.079 4.261 4.340 -0.000 0.000 0.232 160 R C 2.297 178.611 176.300 0.025 0.000 1.126 160 R CA 0.770 56.890 56.100 0.033 0.000 0.963 160 R CB -0.461 29.855 30.300 0.027 0.000 0.858 160 R HN 0.385 nan 8.270 nan 0.000 0.435 161 L N 0.765 122.003 121.223 0.026 0.000 2.093 161 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 161 L C 2.329 179.177 176.870 -0.037 0.000 1.085 161 L CA 1.043 55.886 54.840 0.005 0.000 0.755 161 L CB -0.495 41.570 42.059 0.011 0.000 0.904 161 L HN 0.081 nan 8.230 nan 0.000 0.435 162 E N 0.622 120.817 120.200 -0.009 0.000 2.118 162 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 162 E C 2.169 178.721 176.600 -0.081 0.000 0.992 162 E CA 1.450 57.834 56.400 -0.027 0.000 0.804 162 E CB -0.325 29.406 29.700 0.051 0.000 0.741 162 E HN 0.533 nan 8.360 nan 0.000 0.458 163 G N 1.108 109.876 108.800 -0.055 0.000 2.404 163 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.214 163 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.214 163 G C 1.511 176.332 174.900 -0.132 0.000 1.189 163 G CA 0.469 45.521 45.100 -0.079 0.000 0.789 163 G HN 0.250 nan 8.290 nan 0.000 0.533 164 Q N 0.536 120.281 119.800 -0.092 0.000 2.226 164 Q HA -0.096 4.244 4.340 -0.000 0.000 0.204 164 Q C 2.403 178.233 176.000 -0.283 0.000 0.975 164 Q CA 1.386 57.140 55.803 -0.082 0.000 0.866 164 Q CB -0.165 28.620 28.738 0.079 0.000 0.915 164 Q HN 0.717 nan 8.270 nan 0.000 0.440 165 K N 0.596 120.765 120.400 -0.385 0.000 2.280 165 K HA -0.125 4.195 4.320 -0.000 0.000 0.202 165 K C 1.779 177.713 176.600 -1.110 0.000 1.047 165 K CA 1.688 57.578 56.287 -0.661 0.000 0.942 165 K CB -0.415 31.724 32.500 -0.602 0.000 0.739 165 K HN 0.169 nan 8.250 nan 0.000 0.457 166 T N -0.030 113.951 114.554 -0.955 0.000 2.929 166 T HA -0.135 4.215 4.350 -0.000 0.000 0.271 166 T C 1.843 176.103 174.700 -0.734 0.000 1.085 166 T CA 0.916 62.372 62.100 -1.073 0.000 1.125 166 T CB -0.353 68.162 68.868 -0.588 0.000 0.874 166 T HN 0.330 nan 8.240 nan 0.000 0.494 167 L N 0.881 121.755 121.223 -0.581 0.000 2.012 167 L HA -0.042 4.298 4.340 -0.000 0.000 0.210 167 L C 2.975 179.552 176.870 -0.488 0.000 1.073 167 L CA 1.742 56.332 54.840 -0.417 0.000 0.748 167 L CB -0.806 40.990 42.059 -0.438 0.000 0.891 167 L HN 0.382 nan 8.230 nan 0.000 0.431 168 A N -0.393 121.932 122.820 -0.825 0.000 1.933 168 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 168 A C 2.092 179.342 177.584 -0.557 0.000 1.175 168 A CA 1.664 53.152 52.037 -0.914 0.000 0.628 168 A CB -1.065 17.007 19.000 -1.547 0.000 0.814 168 A HN 0.561 nan 8.150 nan 0.000 0.444 169 F N -0.127 119.334 119.950 -0.815 0.000 2.102 169 F HA -0.209 4.318 4.527 -0.000 0.000 0.298 169 F C 2.606 178.211 175.800 -0.325 0.000 1.105 169 F CA 1.289 58.693 58.000 -0.993 0.000 1.239 169 F CB -0.265 38.026 39.000 -1.182 0.000 0.991 169 F HN 0.313 nan 8.300 nan 0.000 0.474 170 E N 0.198 120.418 120.200 0.034 0.000 2.110 170 E HA -0.167 4.182 4.350 -0.000 0.000 0.193 170 E C 2.215 178.882 176.600 0.111 0.000 0.988 170 E CA 1.166 57.661 56.400 0.158 0.000 0.804 170 E CB -0.213 29.570 29.700 0.138 0.000 0.745 170 E HN 0.173 nan 8.360 nan 0.000 0.458 171 V N 0.881 120.831 119.914 0.059 0.000 2.295 171 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 171 V C 2.328 178.503 176.094 0.134 0.000 1.049 171 V CA 1.473 63.836 62.300 0.105 0.000 1.024 171 V CB -0.385 31.550 31.823 0.186 0.000 0.648 171 V HN 0.144 nan 8.190 nan 0.000 0.447 172 V N 0.124 120.151 119.914 0.189 0.000 2.343 172 V HA -0.241 3.878 4.120 -0.000 0.000 0.247 172 V C 2.252 178.493 176.094 0.245 0.000 1.051 172 V CA 2.087 64.544 62.300 0.262 0.000 1.036 172 V CB -0.780 31.307 31.823 0.440 0.000 0.654 172 V HN 0.534 nan 8.190 nan 0.000 0.451 173 D N -0.271 120.296 120.400 0.278 0.000 2.149 173 D HA -0.175 4.465 4.640 -0.000 0.000 0.198 173 D C 2.205 178.587 176.300 0.137 0.000 0.990 173 D CA 1.397 55.538 54.000 0.235 0.000 0.839 173 D CB -0.028 40.929 40.800 0.261 0.000 0.948 173 D HN 0.552 nan 8.370 nan 0.000 0.460 174 E N -0.327 119.940 120.200 0.110 0.000 2.042 174 E HA 0.029 4.379 4.350 -0.000 0.000 0.189 174 E C 2.161 178.776 176.600 0.024 0.000 0.974 174 E CA 0.140 56.578 56.400 0.064 0.000 0.806 174 E CB 0.116 29.850 29.700 0.056 0.000 0.769 174 E HN 0.177 nan 8.360 nan 0.000 0.451 175 L N -0.707 120.512 121.223 -0.008 0.000 2.376 175 L HA 0.041 4.381 4.340 -0.000 0.000 0.219 175 L C 1.692 178.563 176.870 0.002 0.000 1.133 175 L CA 0.773 55.577 54.840 -0.060 0.000 0.816 175 L CB -0.084 41.898 42.059 -0.129 0.000 0.933 175 L HN 0.473 nan 8.230 nan 0.000 0.449 176 G N -0.306 108.522 108.800 0.046 0.000 2.199 176 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.254 176 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.254 176 G C -0.027 174.908 174.900 0.058 0.000 0.982 176 G CA 0.439 45.570 45.100 0.052 0.000 0.632 176 G HN 0.422 nan 8.290 nan 0.000 0.529 177 D N -1.127 119.311 120.400 0.063 0.000 2.779 177 D HA 0.692 5.332 4.640 -0.000 0.000 0.331 177 D C -0.188 176.156 176.300 0.073 0.000 1.331 177 D CA 0.553 54.589 54.000 0.059 0.000 0.866 177 D CB 0.651 41.453 40.800 0.003 0.000 1.409 177 D HN 0.942 nan 8.370 nan 0.000 0.486 178 A N 0.793 123.631 122.820 0.029 0.000 2.293 178 A HA 0.744 5.063 4.320 -0.000 0.000 0.302 178 A C -2.376 175.141 177.584 -0.112 0.000 1.119 178 A CA -1.039 50.992 52.037 -0.010 0.000 0.823 178 A CB 0.712 19.609 19.000 -0.171 0.000 1.097 178 A HN 0.401 nan 8.150 nan 0.000 0.491 179 P HA 0.161 nan 4.420 nan 0.000 0.274 179 P C -0.245 176.997 177.300 -0.097 0.000 1.256 179 P CA 0.035 63.129 63.100 -0.009 0.000 0.795 179 P CB 0.483 32.233 31.700 0.084 0.000 1.038 180 H N -0.961 118.094 119.070 -0.025 0.000 2.423 180 H HA 0.040 4.595 4.556 -0.000 0.000 0.297 180 H C 0.022 175.126 175.328 -0.374 0.000 1.075 180 H CA 1.699 57.640 56.048 -0.178 0.000 1.342 180 H CB -0.519 29.204 29.762 -0.064 0.000 1.395 180 H HN 0.408 nan 8.280 nan 0.000 0.530 181 Y N -1.514 118.863 120.300 0.128 0.000 2.524 181 Y HA 0.367 4.916 4.550 -0.000 0.000 0.347 181 Y C -0.695 175.272 175.900 0.112 0.000 1.005 181 Y CA -1.172 56.980 58.100 0.088 0.000 1.025 181 Y CB 1.815 40.325 38.460 0.084 0.000 1.275 181 Y HN 0.043 nan 8.280 nan 0.000 0.460 182 H N 1.150 120.338 119.070 0.197 0.000 3.013 182 H HA 0.778 5.334 4.556 -0.000 0.000 0.326 182 H C -1.407 174.011 175.328 0.149 0.000 0.973 182 H CA -0.603 55.561 56.048 0.193 0.000 1.369 182 H CB 0.761 30.677 29.762 0.256 0.000 1.598 182 H HN 0.876 nan 8.280 nan 0.000 0.518 183 A N 5.432 128.451 122.820 0.332 0.000 2.312 183 A HA 0.753 5.073 4.320 -0.000 0.000 0.326 183 A C -0.955 176.783 177.584 0.257 0.000 1.172 183 A CA -0.560 51.658 52.037 0.301 0.000 0.821 183 A CB 0.564 19.788 19.000 0.373 0.000 1.166 183 A HN 0.722 nan 8.150 nan 0.000 0.493 184 L N -0.973 120.337 121.223 0.146 0.000 2.838 184 L HA 0.790 5.129 4.340 -0.000 0.000 0.266 184 L C -3.250 173.625 176.870 0.008 0.000 1.040 184 L CA -2.323 52.531 54.840 0.023 0.000 0.906 184 L CB 1.887 43.816 42.059 -0.216 0.000 1.501 184 L HN 0.343 nan 8.230 nan 0.000 0.407 185 P HA 0.395 nan 4.420 nan 0.000 0.277 185 P C -1.208 176.031 177.300 -0.102 0.000 1.240 185 P CA -0.395 62.697 63.100 -0.013 0.000 0.798 185 P CB 1.570 33.273 31.700 0.004 0.000 0.979 186 V N 2.090 121.949 119.914 -0.092 0.000 2.409 186 V HA 0.532 4.651 4.120 -0.000 0.000 0.290 186 V C 0.848 176.877 176.094 -0.109 0.000 1.017 186 V CA 0.056 62.276 62.300 -0.133 0.000 0.841 186 V CB 0.938 32.651 31.823 -0.184 0.000 1.003 186 V HN 0.821 nan 8.190 nan 0.000 0.426 187 G N 2.905 111.648 108.800 -0.095 0.000 2.534 187 G HA2 0.008 3.968 3.960 -0.000 0.000 0.220 187 G HA3 0.008 3.968 3.960 -0.000 0.000 0.220 187 G C 0.782 175.621 174.900 -0.102 0.000 1.699 187 G CA 0.260 45.296 45.100 -0.107 0.000 0.769 187 G HN 0.553 nan 8.290 nan 0.000 0.632 188 N N 0.519 119.168 118.700 -0.085 0.000 2.322 188 N HA 0.296 5.036 4.740 -0.000 0.000 0.194 188 N C 1.277 176.803 175.510 0.027 0.000 1.126 188 N CA 0.981 54.036 53.050 0.008 0.000 0.845 188 N CB 0.283 38.800 38.487 0.049 0.000 0.976 188 N HN 0.609 nan 8.380 nan 0.000 0.475 189 A N -1.679 121.122 122.820 -0.031 0.000 3.413 189 A HA -0.208 4.112 4.320 -0.000 0.000 0.268 189 A C 1.786 179.364 177.584 -0.011 0.000 1.128 189 A CA 1.549 53.556 52.037 -0.051 0.000 1.062 189 A CB -2.335 16.626 19.000 -0.064 0.000 1.121 189 A HN 0.437 nan 8.150 nan 0.000 0.895 190 G N -0.532 108.291 108.800 0.038 0.000 2.408 190 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.217 190 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.217 190 G C 1.186 176.116 174.900 0.050 0.000 1.150 190 G CA 1.486 46.625 45.100 0.065 0.000 0.776 190 G HN 0.652 nan 8.290 nan 0.000 0.542 191 N N 0.476 119.180 118.700 0.007 0.000 2.135 191 N HA -0.012 4.728 4.740 -0.000 0.000 0.186 191 N C 2.113 177.547 175.510 -0.126 0.000 1.027 191 N CA 0.785 53.776 53.050 -0.098 0.000 0.849 191 N CB -0.264 37.934 38.487 -0.481 0.000 1.002 191 N HN 0.353 nan 8.380 nan 0.000 0.425 192 I N 0.123 120.564 120.570 -0.214 0.000 2.286 192 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 192 I C 1.345 177.443 176.117 -0.032 0.000 1.115 192 I CA 1.206 62.377 61.300 -0.216 0.000 1.392 192 I CB -0.295 37.569 38.000 -0.225 0.000 1.065 192 I HN 0.110 nan 8.210 nan 0.000 0.418 193 T N 1.163 115.718 114.554 0.002 0.000 2.708 193 T HA -0.114 4.236 4.350 -0.000 0.000 0.266 193 T C 1.946 176.701 174.700 0.092 0.000 1.037 193 T CA 1.474 63.617 62.100 0.070 0.000 1.146 193 T CB -0.386 68.515 68.868 0.055 0.000 0.865 193 T HN 0.570 nan 8.240 nan 0.000 0.435 194 A N 0.926 123.775 122.820 0.048 0.000 1.930 194 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 194 A C 1.972 179.511 177.584 -0.075 0.000 1.175 194 A CA 1.694 53.717 52.037 -0.023 0.000 0.627 194 A CB -0.828 18.146 19.000 -0.043 0.000 0.815 194 A HN 0.518 nan 8.150 nan 0.000 0.443 195 H N -1.969 116.996 119.070 -0.175 0.000 2.319 195 H HA -0.175 4.381 4.556 -0.000 0.000 0.299 195 H C 1.814 177.132 175.328 -0.016 0.000 1.092 195 H CA 1.912 57.810 56.048 -0.250 0.000 1.302 195 H CB -0.350 29.257 29.762 -0.258 0.000 1.373 195 H HN 0.736 nan 8.280 nan 0.000 0.497 196 W N 0.638 121.958 121.300 0.034 0.000 2.358 196 W HA -0.263 4.397 4.660 -0.000 0.000 0.303 196 W C 1.949 178.490 176.519 0.038 0.000 1.208 196 W CA 0.992 58.386 57.345 0.082 0.000 1.274 196 W CB -0.115 29.371 29.460 0.043 0.000 1.138 196 W HN 0.227 nan 8.180 nan 0.000 0.515 197 M N 0.421 120.043 119.600 0.037 0.000 2.082 197 M HA -0.208 4.272 4.480 -0.000 0.000 0.258 197 M C 2.423 178.629 176.300 -0.156 0.000 1.071 197 M CA 2.400 57.638 55.300 -0.103 0.000 1.103 197 M CB -1.368 31.186 32.600 -0.077 0.000 1.307 197 M HN 0.068 nan 8.290 nan 0.000 0.409 198 G N -1.244 107.377 108.800 -0.298 0.000 2.442 198 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 198 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 198 G C 1.273 176.092 174.900 -0.136 0.000 1.141 198 G CA 0.889 45.723 45.100 -0.444 0.000 0.763 198 G HN 0.459 nan 8.290 nan 0.000 0.554 199 Y N 0.568 120.810 120.300 -0.095 0.000 2.220 199 Y HA 0.006 4.556 4.550 -0.000 0.000 0.291 199 Y C 2.998 178.822 175.900 -0.127 0.000 1.129 199 Y CA 1.149 59.221 58.100 -0.047 0.000 1.161 199 Y CB 0.077 38.553 38.460 0.025 0.000 0.997 199 Y HN 0.070 nan 8.280 nan 0.000 0.522 200 K N -0.035 120.228 120.400 -0.228 0.000 2.209 200 K HA -0.159 4.161 4.320 -0.000 0.000 0.204 200 K C 2.201 178.784 176.600 -0.029 0.000 1.048 200 K CA 0.845 56.958 56.287 -0.290 0.000 0.940 200 K CB -0.195 31.967 32.500 -0.563 0.000 0.729 200 K HN 0.274 nan 8.250 nan 0.000 0.451 201 A N 0.692 123.549 122.820 0.062 0.000 1.840 201 A HA -0.159 4.161 4.320 -0.000 0.000 0.214 201 A C 1.865 179.579 177.584 0.217 0.000 1.198 201 A CA 1.104 53.229 52.037 0.147 0.000 0.608 201 A CB -0.814 18.346 19.000 0.266 0.000 0.839 201 A HN 0.207 nan 8.150 nan 0.000 0.443 202 Y N 0.056 120.410 120.300 0.089 0.000 2.256 202 Y HA -0.231 4.318 4.550 -0.000 0.000 0.288 202 Y C 2.345 178.297 175.900 0.088 0.000 1.155 202 Y CA 1.287 59.410 58.100 0.039 0.000 1.203 202 Y CB -0.858 37.667 38.460 0.109 0.000 0.980 202 Y HN 0.651 nan 8.280 nan 0.000 0.530 203 H N -1.117 118.035 119.070 0.137 0.000 2.321 203 H HA -0.137 4.419 4.556 -0.000 0.000 0.300 203 H C 2.187 177.508 175.328 -0.011 0.000 1.087 203 H CA 1.037 57.109 56.048 0.039 0.000 1.319 203 H CB 0.188 29.946 29.762 -0.007 0.000 1.379 203 H HN 0.302 nan 8.280 nan 0.000 0.501 204 A N 0.858 123.620 122.820 -0.097 0.000 1.930 204 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 204 A C 2.165 179.674 177.584 -0.125 0.000 1.175 204 A CA 0.885 52.813 52.037 -0.182 0.000 0.627 204 A CB -0.500 18.430 19.000 -0.117 0.000 0.815 204 A HN 0.398 nan 8.150 nan 0.000 0.443 205 L N -0.576 120.593 121.223 -0.089 0.000 2.610 205 L HA 0.193 4.533 4.340 -0.000 0.000 0.232 205 L C 1.677 178.459 176.870 -0.148 0.000 1.149 205 L CA 1.171 55.934 54.840 -0.128 0.000 0.872 205 L CB -0.595 41.356 42.059 -0.180 0.000 0.992 205 L HN 0.639 nan 8.230 nan 0.000 0.447 206 G N -1.010 107.723 108.800 -0.111 0.000 2.189 206 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.267 206 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.267 206 G C 1.436 176.279 174.900 -0.094 0.000 0.975 206 G CA 0.796 45.845 45.100 -0.085 0.000 0.644 206 G HN 0.425 nan 8.290 nan 0.000 0.537 207 K N -0.033 120.263 120.400 -0.174 0.000 2.243 207 K HA 0.428 4.748 4.320 -0.000 0.000 0.201 207 K C 1.343 177.932 176.600 -0.017 0.000 1.051 207 K CA 0.939 57.081 56.287 -0.241 0.000 0.970 207 K CB 0.271 32.293 32.500 -0.796 0.000 0.755 207 K HN 0.583 nan 8.250 nan 0.000 0.465 208 A N 1.223 124.107 122.820 0.107 0.000 2.267 208 A HA 0.265 4.585 4.320 -0.000 0.000 0.315 208 A C 0.026 177.706 177.584 0.160 0.000 1.297 208 A CA -0.610 51.540 52.037 0.188 0.000 0.865 208 A CB 0.870 20.051 19.000 0.303 0.000 1.165 208 A HN -0.031 nan 8.150 nan 0.000 0.513 209 K N 1.259 121.704 120.400 0.076 0.000 2.025 209 K HA -0.070 4.250 4.320 -0.000 0.000 0.207 209 K C 1.165 177.756 176.600 -0.015 0.000 1.049 209 K CA 1.808 58.130 56.287 0.058 0.000 0.933 209 K CB -0.126 32.382 32.500 0.012 0.000 0.714 209 K HN 0.859 nan 8.250 nan 0.000 0.438 210 R N -0.497 119.923 120.500 -0.134 0.000 2.943 210 R HA 0.597 4.937 4.340 -0.000 0.000 0.246 210 R C -0.847 175.230 176.300 -0.373 0.000 1.201 210 R CA -0.874 55.065 56.100 -0.269 0.000 1.056 210 R CB 0.709 30.864 30.300 -0.242 0.000 1.243 210 R HN -0.113 nan 8.270 nan 0.000 0.498 211 L N 0.973 121.987 121.223 -0.347 0.000 2.356 211 L HA 0.512 4.852 4.340 -0.000 0.000 0.277 211 L C -2.307 174.464 176.870 -0.165 0.000 0.996 211 L CA -2.490 52.216 54.840 -0.222 0.000 0.822 211 L CB 2.183 44.200 42.059 -0.070 0.000 1.256 211 L HN 0.482 nan 8.230 nan 0.000 0.413 212 P HA 0.180 nan 4.420 nan 0.000 0.272 212 P C 0.020 177.205 177.300 -0.193 0.000 1.240 212 P CA -0.498 62.449 63.100 -0.255 0.000 0.791 212 P CB 0.800 32.268 31.700 -0.387 0.000 0.978 213 R N 0.824 121.182 120.500 -0.236 0.000 2.240 213 R HA 0.198 4.537 4.340 -0.000 0.000 0.203 213 R C -0.125 176.040 176.300 -0.225 0.000 1.011 213 R CA 0.403 56.358 56.100 -0.241 0.000 1.007 213 R CB -0.508 29.653 30.300 -0.232 0.000 0.911 213 R HN 0.394 nan 8.270 nan 0.000 0.468 214 M N 0.394 119.919 119.600 -0.124 0.000 4.025 214 M HA -0.199 4.281 4.480 -0.000 0.000 0.157 214 M C -1.389 174.813 176.300 -0.163 0.000 1.529 214 M CA 0.837 56.053 55.300 -0.141 0.000 1.090 214 M CB -1.718 30.678 32.600 -0.341 0.000 1.345 214 M HN 0.007 nan 8.290 nan 0.000 0.217 215 L N 2.684 123.849 121.223 -0.097 0.000 2.301 215 L HA 0.690 5.030 4.340 -0.000 0.000 0.278 215 L C 1.126 177.647 176.870 -0.582 0.000 1.022 215 L CA -0.480 54.189 54.840 -0.285 0.000 0.854 215 L CB 1.724 43.780 42.059 -0.005 0.000 1.226 215 L HN 0.794 nan 8.230 nan 0.000 0.429 216 G N 2.337 110.708 108.800 -0.716 0.000 2.377 216 G HA2 0.666 4.625 3.960 -0.000 0.000 0.299 216 G HA3 0.666 4.625 3.960 -0.000 0.000 0.299 216 G C -1.130 173.198 174.900 -0.954 0.000 1.150 216 G CA -0.208 44.512 45.100 -0.633 0.000 0.847 216 G HN 0.315 nan 8.290 nan 0.000 0.501 217 F N 0.067 119.967 119.950 -0.083 0.000 2.547 217 F HA 0.421 4.948 4.527 -0.000 0.000 0.316 217 F C 0.368 176.126 175.800 -0.070 0.000 1.121 217 F CA -0.786 57.176 58.000 -0.064 0.000 0.911 217 F CB 2.407 41.385 39.000 -0.037 0.000 1.179 217 F HN 0.264 nan 8.300 nan 0.000 0.443 218 Q N 1.651 121.504 119.800 0.088 0.000 2.348 218 Q HA 0.761 5.101 4.340 -0.000 0.000 0.271 218 Q C -0.637 175.388 176.000 0.041 0.000 1.067 218 Q CA -1.373 54.442 55.803 0.020 0.000 0.839 218 Q CB 2.659 31.368 28.738 -0.049 0.000 1.354 218 Q HN 0.769 nan 8.270 nan 0.000 0.447 219 A N 0.817 123.646 122.820 0.016 0.000 2.440 219 A HA 0.394 4.714 4.320 -0.000 0.000 0.251 219 A C 1.085 178.673 177.584 0.007 0.000 1.089 219 A CA 0.540 52.586 52.037 0.015 0.000 0.779 219 A CB 0.312 19.313 19.000 0.002 0.000 1.022 219 A HN 0.938 nan 8.150 nan 0.000 0.492 220 A N 2.801 125.628 122.820 0.012 0.000 1.927 220 A HA -0.067 4.253 4.320 -0.000 0.000 0.220 220 A C 2.089 179.673 177.584 0.001 0.000 1.185 220 A CA 2.370 54.412 52.037 0.008 0.000 0.639 220 A CB -1.084 17.921 19.000 0.008 0.000 0.820 220 A HN 1.529 nan 8.150 nan 0.000 0.451 221 G N -2.040 106.759 108.800 -0.001 0.000 2.848 221 G HA2 0.347 4.307 3.960 -0.000 0.000 0.208 221 G HA3 0.347 4.307 3.960 -0.000 0.000 0.208 221 G C 0.504 175.397 174.900 -0.012 0.000 1.152 221 G CA 0.920 46.017 45.100 -0.006 0.000 0.789 221 G HN 1.258 nan 8.290 nan 0.000 0.531 222 A N -0.256 122.555 122.820 -0.015 0.000 3.415 222 A HA 0.712 5.032 4.320 -0.000 0.000 0.244 222 A C 0.249 177.813 177.584 -0.035 0.000 0.988 222 A CA 0.297 52.321 52.037 -0.021 0.000 0.991 222 A CB 0.270 19.253 19.000 -0.028 0.000 1.240 222 A HN 0.738 nan 8.150 nan 0.000 0.541 223 A N 1.751 124.551 122.820 -0.033 0.000 3.150 223 A HA 0.653 4.973 4.320 -0.000 0.000 0.328 223 A C -1.342 176.194 177.584 -0.079 0.000 1.104 223 A CA -1.125 50.875 52.037 -0.062 0.000 0.937 223 A CB 0.232 19.209 19.000 -0.039 0.000 1.073 223 A HN 0.313 nan 8.150 nan 0.000 0.497 224 P HA -0.170 nan 4.420 nan 0.000 0.217 224 P C 1.441 178.579 177.300 -0.270 0.000 1.150 224 P CA 0.867 63.911 63.100 -0.093 0.000 0.832 224 P CB 0.173 31.841 31.700 -0.053 0.000 0.787 225 L N -0.895 120.034 121.223 -0.490 0.000 2.201 225 L HA -0.091 4.249 4.340 -0.000 0.000 0.212 225 L C 2.589 179.323 176.870 -0.227 0.000 1.105 225 L CA 0.938 55.453 54.840 -0.541 0.000 0.775 225 L CB -0.606 41.120 42.059 -0.555 0.000 0.913 225 L HN -0.146 nan 8.230 nan 0.000 0.440 226 V N -0.619 119.208 119.914 -0.145 0.000 2.535 226 V HA -0.165 3.955 4.120 -0.000 0.000 0.246 226 V C 2.233 178.317 176.094 -0.017 0.000 1.045 226 V CA 0.988 63.246 62.300 -0.071 0.000 1.058 226 V CB -0.048 31.745 31.823 -0.050 0.000 0.689 226 V HN 0.309 nan 8.190 nan 0.000 0.461 227 L N 0.291 121.516 121.223 0.003 0.000 2.093 227 L HA 0.064 4.404 4.340 -0.000 0.000 0.208 227 L C 1.990 178.916 176.870 0.094 0.000 1.085 227 L CA 1.587 56.456 54.840 0.048 0.000 0.755 227 L CB -0.505 41.592 42.059 0.063 0.000 0.904 227 L HN 0.596 nan 8.230 nan 0.000 0.435 228 G N 0.128 109.026 108.800 0.164 0.000 2.195 228 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.224 228 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.224 228 G C 0.296 175.414 174.900 0.363 0.000 0.990 228 G CA 0.174 45.429 45.100 0.258 0.000 0.639 228 G HN 0.486 nan 8.290 nan 0.000 0.514 229 R N -0.754 119.960 120.500 0.356 0.000 2.774 229 R HA 0.693 5.033 4.340 -0.000 0.000 0.272 229 R C -3.413 173.139 176.300 0.420 0.000 1.000 229 R CA -2.141 54.140 56.100 0.301 0.000 0.906 229 R CB 1.131 31.503 30.300 0.119 0.000 1.227 229 R HN 0.028 nan 8.270 nan 0.000 0.468 230 P HA -0.004 nan 4.420 nan 0.000 0.266 230 P C -0.731 176.672 177.300 0.172 0.000 1.195 230 P CA -0.331 62.961 63.100 0.319 0.000 0.768 230 P CB 0.642 32.455 31.700 0.189 0.000 0.838 231 V N 3.797 123.795 119.914 0.139 0.000 2.348 231 V HA 0.077 4.196 4.120 -0.000 0.000 0.270 231 V C 1.610 177.740 176.094 0.061 0.000 1.037 231 V CA 0.182 62.528 62.300 0.077 0.000 0.872 231 V CB 0.555 32.407 31.823 0.048 0.000 1.002 231 V HN 0.653 nan 8.190 nan 0.000 0.464 232 E N 3.931 124.158 120.200 0.046 0.000 2.110 232 E HA -0.070 4.280 4.350 -0.000 0.000 0.193 232 E C 0.760 177.370 176.600 0.017 0.000 0.988 232 E CA 0.832 57.252 56.400 0.032 0.000 0.804 232 E CB 0.283 29.997 29.700 0.024 0.000 0.745 232 E HN 0.470 nan 8.360 nan 0.000 0.458 233 R N 1.422 121.926 120.500 0.007 0.000 2.724 233 R HA 0.247 4.587 4.340 -0.000 0.000 0.284 233 R C -2.478 173.805 176.300 -0.029 0.000 1.481 233 R CA -1.605 54.485 56.100 -0.015 0.000 1.652 233 R CB 1.029 31.321 30.300 -0.013 0.000 1.175 233 R HN 0.186 nan 8.270 nan 0.000 0.613 234 P HA 0.037 nan 4.420 nan 0.000 0.265 234 P C -0.449 176.801 177.300 -0.084 0.000 1.193 234 P CA 0.221 63.297 63.100 -0.041 0.000 0.765 234 P CB 1.020 32.706 31.700 -0.024 0.000 0.823 235 E N 0.972 121.136 120.200 -0.060 0.000 2.308 235 E HA 0.652 5.002 4.350 -0.000 0.000 0.275 235 E C -1.446 175.136 176.600 -0.031 0.000 0.890 235 E CA -0.510 55.853 56.400 -0.062 0.000 0.754 235 E CB 1.765 31.443 29.700 -0.037 0.000 1.207 235 E HN 0.496 nan 8.360 nan 0.000 0.426 236 T N 2.604 117.147 114.554 -0.018 0.000 3.121 236 T HA 0.119 4.469 4.350 -0.000 0.000 0.377 236 T C -0.091 174.624 174.700 0.026 0.000 1.820 236 T CA -0.146 61.955 62.100 0.003 0.000 1.098 236 T CB -0.077 68.787 68.868 -0.007 0.000 1.681 236 T HN 0.480 nan 8.240 nan 0.000 0.492 237 L N 2.383 123.619 121.223 0.022 0.000 2.376 237 L HA 0.629 4.968 4.340 -0.000 0.000 0.219 237 L C 1.649 178.521 176.870 0.003 0.000 1.133 237 L CA 1.608 56.462 54.840 0.025 0.000 0.816 237 L CB -0.633 41.427 42.059 0.003 0.000 0.933 237 L HN 0.659 nan 8.230 nan 0.000 0.449 238 A N 0.630 123.443 122.820 -0.012 0.000 3.063 238 A HA 0.324 4.644 4.320 -0.000 0.000 0.263 238 A C 1.678 179.260 177.584 -0.002 0.000 1.736 238 A CA 0.314 52.337 52.037 -0.024 0.000 1.408 238 A CB -1.352 17.632 19.000 -0.027 0.000 1.108 238 A HN 0.560 nan 8.150 nan 0.000 0.621 239 T N -1.740 112.830 114.554 0.027 0.000 2.848 239 T HA -0.227 4.123 4.350 -0.000 0.000 0.269 239 T C 1.746 176.452 174.700 0.011 0.000 1.081 239 T CA 1.618 63.751 62.100 0.055 0.000 1.125 239 T CB -0.390 68.554 68.868 0.127 0.000 0.848 239 T HN 0.776 nan 8.240 nan 0.000 0.503 240 A N 2.270 125.084 122.820 -0.010 0.000 1.978 240 A HA 0.168 4.488 4.320 -0.000 0.000 0.220 240 A C 2.099 179.628 177.584 -0.092 0.000 1.170 240 A CA 1.327 53.340 52.037 -0.040 0.000 0.636 240 A CB -0.722 18.272 19.000 -0.011 0.000 0.810 240 A HN 0.963 nan 8.150 nan 0.000 0.448 241 I N -4.222 116.307 120.570 -0.068 0.000 3.424 241 I HA 0.402 4.572 4.170 -0.000 0.000 0.339 241 I C 0.437 176.509 176.117 -0.075 0.000 1.549 241 I CA -0.467 60.778 61.300 -0.091 0.000 1.049 241 I CB 0.307 38.273 38.000 -0.056 0.000 1.439 241 I HN 0.077 nan 8.210 nan 0.000 0.500 242 R N 2.614 123.072 120.500 -0.070 0.000 4.390 242 R HA 0.526 4.866 4.340 -0.000 0.000 0.229 242 R C -1.034 175.249 176.300 -0.029 0.000 1.674 242 R CA -0.197 55.872 56.100 -0.051 0.000 1.526 242 R CB -0.027 30.241 30.300 -0.054 0.000 1.418 242 R HN 0.534 nan 8.270 nan 0.000 0.790 243 I N 0.562 121.114 120.570 -0.029 0.000 2.465 243 I HA 0.307 4.477 4.170 -0.000 0.000 0.291 243 I C 0.927 177.075 176.117 0.052 0.000 1.014 243 I CA -0.737 60.590 61.300 0.044 0.000 1.093 243 I CB 2.337 40.315 38.000 -0.036 0.000 1.267 243 I HN 0.439 nan 8.210 nan 0.000 0.431 244 G N 3.288 112.151 108.800 0.105 0.000 2.939 244 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.216 244 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.216 244 G C 0.350 175.353 174.900 0.172 0.000 1.125 244 G CA 0.096 45.255 45.100 0.098 0.000 0.766 244 G HN 0.549 nan 8.290 nan 0.000 0.541 245 N N 0.949 119.776 118.700 0.213 0.000 2.711 245 N HA 0.282 5.022 4.740 -0.000 0.000 0.263 245 N C -2.810 172.887 175.510 0.312 0.000 1.667 245 N CA -1.413 51.823 53.050 0.310 0.000 0.785 245 N CB 1.419 40.035 38.487 0.215 0.000 1.231 245 N HN -0.082 nan 8.380 nan 0.000 0.503 246 P HA -0.017 nan 4.420 nan 0.000 0.261 246 P C 0.540 178.003 177.300 0.273 0.000 1.173 246 P CA 0.124 63.343 63.100 0.198 0.000 0.760 246 P CB 1.173 32.875 31.700 0.003 0.000 0.783 247 A N 3.824 126.777 122.820 0.220 0.000 1.930 247 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 247 A C 1.821 179.509 177.584 0.174 0.000 1.175 247 A CA 1.306 53.453 52.037 0.183 0.000 0.627 247 A CB -0.814 18.276 19.000 0.150 0.000 0.815 247 A HN 0.554 nan 8.150 nan 0.000 0.443 248 S N -0.542 115.248 115.700 0.151 0.000 2.667 248 S HA 0.023 4.493 4.470 -0.000 0.000 0.251 248 S C 0.800 175.497 174.600 0.162 0.000 1.075 248 S CA -0.677 57.600 58.200 0.128 0.000 1.130 248 S CB -0.458 62.790 63.200 0.079 0.000 0.795 248 S HN 0.651 nan 8.310 nan 0.000 0.462 249 W N 2.709 124.020 121.300 0.018 0.000 2.304 249 W HA -0.222 4.438 4.660 -0.000 0.000 0.315 249 W C 1.408 177.928 176.519 0.001 0.000 1.233 249 W CA 1.734 59.083 57.345 0.007 0.000 1.261 249 W CB -0.356 29.109 29.460 0.009 0.000 1.150 249 W HN 0.413 nan 8.180 nan 0.000 0.494 250 Q N -0.680 119.335 119.800 0.359 0.000 2.079 250 Q HA -0.077 4.262 4.340 -0.000 0.000 0.200 250 Q C 2.477 178.564 176.000 0.146 0.000 0.974 250 Q CA 1.855 57.797 55.803 0.232 0.000 0.840 250 Q CB -1.508 27.314 28.738 0.140 0.000 0.898 250 Q HN 0.405 nan 8.270 nan 0.000 0.430 251 G N 0.966 109.837 108.800 0.119 0.000 2.422 251 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.218 251 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.218 251 G C 1.578 176.510 174.900 0.053 0.000 1.146 251 G CA 1.248 46.404 45.100 0.093 0.000 0.769 251 G HN 0.453 nan 8.290 nan 0.000 0.547 252 A N 0.126 122.951 122.820 0.008 0.000 1.873 252 A HA 0.103 4.423 4.320 -0.000 0.000 0.215 252 A C 2.610 180.136 177.584 -0.095 0.000 1.186 252 A CA 1.751 53.739 52.037 -0.082 0.000 0.616 252 A CB -0.701 18.202 19.000 -0.161 0.000 0.823 252 A HN 0.237 nan 8.150 nan 0.000 0.442 253 V N 0.193 120.086 119.914 -0.035 0.000 2.287 253 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 253 V C 2.688 178.769 176.094 -0.021 0.000 1.053 253 V CA 2.316 64.608 62.300 -0.013 0.000 1.027 253 V CB -0.813 31.073 31.823 0.105 0.000 0.646 253 V HN 0.514 nan 8.190 nan 0.000 0.447 254 R N -0.138 120.377 120.500 0.026 0.000 2.081 254 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 254 R C 2.423 178.706 176.300 -0.029 0.000 1.131 254 R CA 1.437 57.565 56.100 0.046 0.000 0.960 254 R CB -0.594 29.776 30.300 0.117 0.000 0.856 254 R HN 0.543 nan 8.270 nan 0.000 0.436 255 A N 1.558 124.316 122.820 -0.103 0.000 1.933 255 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 255 A C 2.082 179.272 177.584 -0.657 0.000 1.175 255 A CA 1.439 53.171 52.037 -0.508 0.000 0.628 255 A CB -0.346 18.488 19.000 -0.276 0.000 0.814 255 A HN 0.229 nan 8.150 nan 0.000 0.444 256 K N -0.136 120.047 120.400 -0.361 0.000 1.984 256 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 256 K C 1.936 178.373 176.600 -0.271 0.000 1.046 256 K CA 1.662 57.758 56.287 -0.318 0.000 0.934 256 K CB -0.258 32.112 32.500 -0.217 0.000 0.717 256 K HN 0.596 nan 8.250 nan 0.000 0.438 257 E N 0.523 120.621 120.200 -0.168 0.000 2.058 257 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 257 E C 2.056 178.604 176.600 -0.087 0.000 0.997 257 E CA 1.569 57.912 56.400 -0.095 0.000 0.801 257 E CB -0.012 29.670 29.700 -0.031 0.000 0.746 257 E HN 0.416 nan 8.360 nan 0.000 0.450 258 E N 0.206 120.361 120.200 -0.076 0.000 2.150 258 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 258 E C 1.946 178.553 176.600 0.012 0.000 0.985 258 E CA 1.288 57.740 56.400 0.087 0.000 0.814 258 E CB 0.083 30.045 29.700 0.437 0.000 0.752 258 E HN 0.177 nan 8.360 nan 0.000 0.466 259 S N -1.030 114.366 115.700 -0.506 0.000 2.556 259 S HA 0.206 4.676 4.470 -0.000 0.000 0.216 259 S C 1.363 175.779 174.600 -0.306 0.000 0.970 259 S CA 0.170 57.994 58.200 -0.627 0.000 0.912 259 S CB 0.711 63.053 63.200 -1.431 0.000 0.790 259 S HN 0.279 nan 8.310 nan 0.000 0.504 260 G N 0.637 109.308 108.800 -0.215 0.000 2.295 260 G HA2 -0.039 3.920 3.960 -0.000 0.000 0.287 260 G HA3 -0.039 3.920 3.960 -0.000 0.000 0.287 260 G C 0.406 175.219 174.900 -0.146 0.000 1.055 260 G CA 0.074 45.094 45.100 -0.134 0.000 0.922 260 G HN 1.025 nan 8.290 nan 0.000 0.503 261 G N -1.817 106.862 108.800 -0.202 0.000 2.890 261 G HA2 0.985 4.945 3.960 -0.000 0.000 0.189 261 G HA3 0.985 4.945 3.960 -0.000 0.000 0.189 261 G C 0.006 174.816 174.900 -0.149 0.000 1.342 261 G CA 0.400 45.399 45.100 -0.169 0.000 1.026 261 G HN 1.751 nan 8.290 nan 0.000 0.579 262 V N -3.142 116.659 119.914 -0.188 0.000 3.087 262 V HA 0.690 4.810 4.120 -0.000 0.000 0.306 262 V C -1.375 174.523 176.094 -0.327 0.000 1.187 262 V CA -1.087 61.093 62.300 -0.201 0.000 0.999 262 V CB 2.143 33.886 31.823 -0.134 0.000 1.049 262 V HN 0.538 nan 8.190 nan 0.000 0.431 263 I N 2.164 122.568 120.570 -0.278 0.000 2.537 263 I HA 0.593 4.763 4.170 -0.000 0.000 0.276 263 I C 0.010 175.992 176.117 -0.226 0.000 1.063 263 I CA -0.100 61.009 61.300 -0.319 0.000 1.144 263 I CB 0.640 38.484 38.000 -0.261 0.000 1.252 263 I HN 0.883 nan 8.210 nan 0.000 0.480 264 E N 2.753 122.812 120.200 -0.236 0.000 2.281 264 E HA 0.811 5.161 4.350 -0.000 0.000 0.262 264 E C -0.444 176.236 176.600 0.134 0.000 0.933 264 E CA -0.866 55.535 56.400 0.001 0.000 0.809 264 E CB 2.750 32.530 29.700 0.134 0.000 1.242 264 E HN 0.620 nan 8.360 nan 0.000 0.418 265 A N 0.950 123.834 122.820 0.108 0.000 2.293 265 A HA 0.617 4.937 4.320 -0.000 0.000 0.302 265 A C -0.489 177.160 177.584 0.108 0.000 1.119 265 A CA -0.544 51.550 52.037 0.095 0.000 0.823 265 A CB 0.585 19.607 19.000 0.037 0.000 1.097 265 A HN 0.343 nan 8.150 nan 0.000 0.491 266 V N -0.404 119.557 119.914 0.078 0.000 2.789 266 V HA 0.790 4.910 4.120 -0.000 0.000 0.311 266 V C 0.175 176.282 176.094 0.022 0.000 1.073 266 V CA -0.180 62.138 62.300 0.031 0.000 0.921 266 V CB 0.901 32.725 31.823 0.001 0.000 1.009 266 V HN 1.218 nan 8.190 nan 0.000 0.426 267 T N -1.005 113.554 114.554 0.008 0.000 2.828 267 T HA 0.238 4.588 4.350 -0.000 0.000 0.290 267 T C 0.579 175.290 174.700 0.018 0.000 1.019 267 T CA 0.277 62.382 62.100 0.009 0.000 1.031 267 T CB 0.915 69.783 68.868 -0.000 0.000 1.001 267 T HN 0.703 nan 8.240 nan 0.000 0.531 268 D N -0.287 120.124 120.400 0.018 0.000 2.178 268 D HA -0.091 4.549 4.640 -0.000 0.000 0.201 268 D C 1.900 178.223 176.300 0.038 0.000 0.980 268 D CA 0.988 55.001 54.000 0.022 0.000 0.842 268 D CB -0.177 40.633 40.800 0.016 0.000 0.948 268 D HN 0.815 nan 8.370 nan 0.000 0.472 269 E N 1.035 121.257 120.200 0.037 0.000 2.051 269 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 269 E C 1.561 178.212 176.600 0.085 0.000 0.991 269 E CA 0.955 57.387 56.400 0.055 0.000 0.799 269 E CB 0.060 29.777 29.700 0.028 0.000 0.748 269 E HN 0.354 nan 8.360 nan 0.000 0.449 270 E N 0.134 120.362 120.200 0.048 0.000 2.153 270 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 270 E C 2.169 178.857 176.600 0.146 0.000 0.988 270 E CA 0.733 57.168 56.400 0.057 0.000 0.811 270 E CB 0.018 29.713 29.700 -0.008 0.000 0.746 270 E HN 0.317 nan 8.360 nan 0.000 0.466 271 I N 0.949 121.584 120.570 0.107 0.000 2.179 271 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 271 I C 2.385 178.606 176.117 0.175 0.000 1.088 271 I CA 1.302 62.671 61.300 0.114 0.000 1.357 271 I CB -1.073 36.954 38.000 0.045 0.000 1.051 271 I HN 0.189 nan 8.210 nan 0.000 0.409 272 L N -0.392 120.925 121.223 0.156 0.000 2.046 272 L HA -0.257 4.082 4.340 -0.000 0.000 0.208 272 L C 2.656 179.697 176.870 0.285 0.000 1.077 272 L CA 1.381 56.352 54.840 0.218 0.000 0.747 272 L CB -0.706 41.449 42.059 0.160 0.000 0.896 272 L HN 0.125 nan 8.230 nan 0.000 0.432 273 F N 0.847 120.867 119.950 0.116 0.000 2.095 273 F HA -0.271 4.256 4.527 0.000 0.000 0.298 273 F C 2.439 178.347 175.800 0.181 0.000 1.104 273 F CA 1.455 59.502 58.000 0.079 0.000 1.232 273 F CB -0.273 38.699 39.000 -0.045 0.000 0.987 273 F HN 0.003 nan 8.300 nan 0.000 0.475 274 A N -0.523 122.577 122.820 0.466 0.000 1.902 274 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 274 A C 2.117 179.919 177.584 0.363 0.000 1.181 274 A CA 1.639 53.986 52.037 0.517 0.000 0.623 274 A CB -1.737 17.525 19.000 0.437 0.000 0.818 274 A HN 0.644 nan 8.150 nan 0.000 0.443 275 Y N 0.611 121.002 120.300 0.151 0.000 2.128 275 Y HA -0.262 4.288 4.550 -0.000 0.000 0.284 275 Y C 2.450 178.387 175.900 0.062 0.000 1.154 275 Y CA 2.511 60.674 58.100 0.105 0.000 1.149 275 Y CB -0.341 38.182 38.460 0.106 0.000 0.976 275 Y HN 0.275 nan 8.280 nan 0.000 0.505 276 R N -0.443 120.057 120.500 -0.000 0.000 2.073 276 R HA -0.167 4.173 4.340 -0.000 0.000 0.229 276 R C 2.210 178.394 176.300 -0.195 0.000 1.120 276 R CA 1.766 57.747 56.100 -0.197 0.000 0.967 276 R CB -1.557 28.653 30.300 -0.149 0.000 0.862 276 R HN 0.550 nan 8.270 nan 0.000 0.436 277 Y N 0.640 120.793 120.300 -0.246 0.000 2.114 277 Y HA -0.208 4.342 4.550 0.000 0.000 0.282 277 Y C 1.653 177.502 175.900 -0.085 0.000 1.165 277 Y CA 2.019 60.009 58.100 -0.182 0.000 1.148 277 Y CB -0.473 37.956 38.460 -0.053 0.000 0.972 277 Y HN 0.079 nan 8.280 nan 0.000 0.504 278 L N -0.261 120.737 121.223 -0.375 0.000 2.046 278 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 278 L C 2.775 179.432 176.870 -0.355 0.000 1.077 278 L CA 1.335 55.919 54.840 -0.426 0.000 0.747 278 L CB -0.910 41.059 42.059 -0.150 0.000 0.896 278 L HN 0.371 nan 8.230 nan 0.000 0.432 279 A N -0.439 122.215 122.820 -0.277 0.000 1.930 279 A HA -0.156 4.164 4.320 -0.000 0.000 0.215 279 A C 2.415 179.839 177.584 -0.267 0.000 1.176 279 A CA 1.236 53.121 52.037 -0.253 0.000 0.632 279 A CB -0.353 18.473 19.000 -0.289 0.000 0.819 279 A HN 0.308 nan 8.150 nan 0.000 0.445 280 R N -0.827 119.508 120.500 -0.275 0.000 2.140 280 R HA 0.016 4.356 4.340 -0.000 0.000 0.213 280 R C 1.455 177.628 176.300 -0.212 0.000 1.059 280 R CA 1.021 56.989 56.100 -0.221 0.000 1.000 280 R CB 0.074 30.260 30.300 -0.191 0.000 0.910 280 R HN 0.434 nan 8.270 nan 0.000 0.455 281 E N -0.279 119.739 120.200 -0.304 0.000 2.307 281 E HA -0.015 4.334 4.350 -0.000 0.000 0.195 281 E C 1.012 177.426 176.600 -0.309 0.000 0.975 281 E CA 0.486 56.715 56.400 -0.284 0.000 0.878 281 E CB 0.615 30.125 29.700 -0.316 0.000 0.845 281 E HN 0.292 nan 8.360 nan 0.000 0.488 282 E N -0.359 119.600 120.200 -0.403 0.000 2.490 282 E HA 0.128 4.478 4.350 -0.000 0.000 0.209 282 E C 0.985 177.450 176.600 -0.224 0.000 0.971 282 E CA 0.528 56.747 56.400 -0.302 0.000 0.988 282 E CB 1.306 30.790 29.700 -0.361 0.000 1.029 282 E HN 0.285 nan 8.360 nan 0.000 0.496 283 G N 2.106 110.774 108.800 -0.220 0.000 2.143 283 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.249 283 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.249 283 G C 0.244 175.043 174.900 -0.167 0.000 0.981 283 G CA 0.294 45.296 45.100 -0.164 0.000 0.665 283 G HN 0.232 nan 8.290 nan 0.000 0.528 284 I N 0.571 121.004 120.570 -0.228 0.000 2.355 284 I HA 0.437 4.607 4.170 -0.000 0.000 0.288 284 I C -0.321 175.700 176.117 -0.160 0.000 0.999 284 I CA -1.087 60.029 61.300 -0.308 0.000 1.163 284 I CB 1.171 38.892 38.000 -0.464 0.000 1.316 284 I HN 0.028 nan 8.210 nan 0.000 0.454 285 F N 8.743 128.527 119.950 -0.277 0.000 2.335 285 F HA 0.447 4.974 4.527 -0.000 0.000 0.365 285 F C 0.279 175.996 175.800 -0.138 0.000 1.122 285 F CA -1.555 56.329 58.000 -0.193 0.000 1.151 285 F CB 0.171 39.102 39.000 -0.116 0.000 1.282 285 F HN 0.549 nan 8.300 nan 0.000 0.513 286 C N 4.203 123.464 119.300 -0.065 0.000 2.595 286 C HA 0.823 5.283 4.460 -0.000 0.000 0.338 286 C C -0.028 174.958 174.990 -0.006 0.000 1.219 286 C CA -0.915 58.070 59.018 -0.054 0.000 1.811 286 C CB 1.127 28.922 27.740 0.092 0.000 2.313 286 C HN 0.851 nan 8.230 nan 0.000 0.499 287 E N 1.652 121.841 120.200 -0.019 0.000 2.374 287 E HA 0.312 4.662 4.350 -0.000 0.000 0.260 287 E C -2.061 174.543 176.600 0.005 0.000 1.101 287 E CA -0.975 55.422 56.400 -0.005 0.000 0.907 287 E CB 0.317 29.997 29.700 -0.033 0.000 1.014 287 E HN 0.408 nan 8.360 nan 0.000 0.427 288 P HA -0.324 nan 4.420 nan 0.000 0.217 288 P C 1.222 178.492 177.300 -0.050 0.000 1.162 288 P CA 2.698 65.659 63.100 -0.232 0.000 0.901 288 P CB -0.079 31.432 31.700 -0.315 0.000 0.793 289 A N -0.960 121.845 122.820 -0.024 0.000 1.940 289 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 289 A C 2.325 179.937 177.584 0.047 0.000 1.176 289 A CA 2.361 54.406 52.037 0.014 0.000 0.631 289 A CB -1.557 17.453 19.000 0.017 0.000 0.814 289 A HN 0.170 nan 8.150 nan 0.000 0.446 290 S N 0.008 115.747 115.700 0.066 0.000 2.368 290 S HA -0.044 4.426 4.470 -0.000 0.000 0.225 290 S C 2.208 176.866 174.600 0.096 0.000 1.030 290 S CA 1.120 59.375 58.200 0.092 0.000 0.999 290 S CB -0.471 62.797 63.200 0.113 0.000 0.844 290 S HN 0.827 nan 8.310 nan 0.000 0.459 291 A N 1.348 124.237 122.820 0.114 0.000 2.121 291 A HA 0.235 4.555 4.320 -0.000 0.000 0.218 291 A C 2.234 179.879 177.584 0.101 0.000 1.154 291 A CA 1.297 53.419 52.037 0.142 0.000 0.679 291 A CB -0.808 18.331 19.000 0.231 0.000 0.795 291 A HN 0.497 nan 8.150 nan 0.000 0.458 292 A N -0.071 122.793 122.820 0.075 0.000 2.024 292 A HA 0.131 4.451 4.320 -0.000 0.000 0.220 292 A C 2.389 179.985 177.584 0.019 0.000 1.164 292 A CA 1.860 53.930 52.037 0.055 0.000 0.643 292 A CB -0.728 18.318 19.000 0.077 0.000 0.806 292 A HN 0.978 nan 8.150 nan 0.000 0.451 293 A N -1.059 121.802 122.820 0.068 0.000 1.898 293 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 293 A C 2.131 179.662 177.584 -0.090 0.000 1.181 293 A CA 2.021 54.116 52.037 0.096 0.000 0.620 293 A CB -0.408 18.669 19.000 0.128 0.000 0.819 293 A HN 0.550 nan 8.150 nan 0.000 0.442 294 M N 0.092 119.657 119.600 -0.059 0.000 2.254 294 M HA 0.122 4.602 4.480 -0.000 0.000 0.265 294 M C 2.046 178.248 176.300 -0.163 0.000 1.066 294 M CA 1.494 56.717 55.300 -0.128 0.000 1.123 294 M CB -0.502 32.099 32.600 0.002 0.000 1.388 294 M HN 0.337 nan 8.290 nan 0.000 0.425 295 A N -0.493 122.297 122.820 -0.050 0.000 1.972 295 A HA 0.062 4.382 4.320 -0.000 0.000 0.219 295 A C 2.287 179.684 177.584 -0.312 0.000 1.169 295 A CA 1.614 53.652 52.037 0.003 0.000 0.635 295 A CB -1.669 17.340 19.000 0.014 0.000 0.810 295 A HN 0.602 nan 8.150 nan 0.000 0.446 296 G N -0.761 107.536 108.800 -0.838 0.000 2.403 296 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.216 296 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.216 296 G C 1.448 175.805 174.900 -0.906 0.000 1.154 296 G CA 1.099 45.073 45.100 -1.877 0.000 0.784 296 G HN 0.300 nan 8.290 nan 0.000 0.538 297 V N 0.201 119.782 119.914 -0.555 0.000 2.427 297 V HA -0.061 4.059 4.120 -0.000 0.000 0.248 297 V C 2.408 178.352 176.094 -0.250 0.000 1.051 297 V CA 1.273 63.382 62.300 -0.319 0.000 1.048 297 V CB -0.614 31.017 31.823 -0.320 0.000 0.666 297 V HN 0.392 nan 8.190 nan 0.000 0.456 298 F N 0.377 120.194 119.950 -0.222 0.000 2.171 298 F HA -0.179 4.348 4.527 -0.000 0.000 0.300 298 F C 2.525 178.205 175.800 -0.199 0.000 1.090 298 F CA 1.825 59.706 58.000 -0.198 0.000 1.293 298 F CB -0.071 38.819 39.000 -0.184 0.000 1.013 298 F HN 0.047 nan 8.300 nan 0.000 0.486 299 K N 0.377 120.761 120.400 -0.028 0.000 2.025 299 K HA -0.183 4.137 4.320 -0.000 0.000 0.207 299 K C 1.870 178.443 176.600 -0.045 0.000 1.049 299 K CA 1.262 57.511 56.287 -0.064 0.000 0.933 299 K CB -0.152 32.288 32.500 -0.101 0.000 0.714 299 K HN 0.136 nan 8.250 nan 0.000 0.438 300 L N 1.277 122.466 121.223 -0.056 0.000 2.156 300 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 300 L C 2.126 178.955 176.870 -0.068 0.000 1.095 300 L CA 1.154 55.969 54.840 -0.042 0.000 0.770 300 L CB -0.440 41.596 42.059 -0.038 0.000 0.914 300 L HN 0.200 nan 8.230 nan 0.000 0.439 301 L N -0.364 120.814 121.223 -0.076 0.000 2.046 301 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 301 L C 2.751 179.597 176.870 -0.040 0.000 1.077 301 L CA 1.443 56.245 54.840 -0.064 0.000 0.747 301 L CB -0.388 41.647 42.059 -0.041 0.000 0.896 301 L HN 0.382 nan 8.230 nan 0.000 0.432 302 R N -0.017 120.463 120.500 -0.033 0.000 2.193 302 R HA -0.087 4.253 4.340 -0.000 0.000 0.213 302 R C 1.440 177.715 176.300 -0.042 0.000 1.055 302 R CA 0.972 57.045 56.100 -0.045 0.000 0.995 302 R CB -0.248 30.010 30.300 -0.069 0.000 0.893 302 R HN 0.340 nan 8.270 nan 0.000 0.459 303 E N 0.509 120.687 120.200 -0.036 0.000 2.489 303 E HA 0.085 4.435 4.350 -0.000 0.000 0.193 303 E C 0.330 176.916 176.600 -0.023 0.000 1.057 303 E CA 0.279 56.663 56.400 -0.026 0.000 0.866 303 E CB 0.481 30.171 29.700 -0.016 0.000 0.916 303 E HN 0.646 nan 8.360 nan 0.000 0.500 304 G N 2.232 111.014 108.800 -0.030 0.000 2.249 304 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.273 304 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.273 304 G C 0.652 175.539 174.900 -0.021 0.000 1.036 304 G CA 0.415 45.498 45.100 -0.028 0.000 0.824 304 G HN 0.280 nan 8.290 nan 0.000 0.504 305 R N -1.085 119.399 120.500 -0.027 0.000 2.393 305 R HA 0.351 4.691 4.340 -0.000 0.000 0.244 305 R C 0.619 176.897 176.300 -0.036 0.000 0.920 305 R CA -0.064 56.031 56.100 -0.010 0.000 1.076 305 R CB 0.447 30.752 30.300 0.008 0.000 1.119 305 R HN 0.395 nan 8.270 nan 0.000 0.524 306 L N 1.778 122.938 121.223 -0.105 0.000 2.313 306 L HA 0.282 4.622 4.340 -0.000 0.000 0.283 306 L C -0.032 176.784 176.870 -0.091 0.000 1.013 306 L CA -0.615 54.079 54.840 -0.243 0.000 0.816 306 L CB 1.917 43.751 42.059 -0.375 0.000 1.236 306 L HN 0.030 nan 8.230 nan 0.000 0.419 307 E N 5.298 125.529 120.200 0.051 0.000 2.376 307 E HA 0.098 4.448 4.350 -0.000 0.000 0.266 307 E C -2.132 174.476 176.600 0.013 0.000 1.009 307 E CA -1.549 54.900 56.400 0.081 0.000 0.902 307 E CB 0.312 30.114 29.700 0.170 0.000 0.972 307 E HN 0.306 nan 8.360 nan 0.000 0.439 308 P HA -0.078 nan 4.420 nan 0.000 0.271 308 P C -0.554 176.719 177.300 -0.045 0.000 1.233 308 P CA 0.032 63.115 63.100 -0.029 0.000 0.789 308 P CB 0.517 32.206 31.700 -0.018 0.000 0.951 309 E N -1.890 118.276 120.200 -0.056 0.000 2.271 309 E HA -0.121 4.229 4.350 -0.000 0.000 0.223 309 E C -0.668 175.813 176.600 -0.197 0.000 1.223 309 E CA 0.900 57.255 56.400 -0.074 0.000 0.704 309 E CB -2.383 27.294 29.700 -0.038 0.000 1.194 309 E HN 0.421 nan 8.360 nan 0.000 0.375 310 S N -0.377 115.190 115.700 -0.222 0.000 2.599 310 S HA 0.613 5.083 4.470 -0.000 0.000 0.287 310 S C -0.095 174.421 174.600 -0.140 0.000 1.105 310 S CA -0.684 57.238 58.200 -0.464 0.000 0.899 310 S CB 2.345 65.464 63.200 -0.134 0.000 1.100 310 S HN 0.116 nan 8.310 nan 0.000 0.482 311 T N 1.958 116.546 114.554 0.058 0.000 2.795 311 T HA 0.590 4.940 4.350 -0.000 0.000 0.282 311 T C -0.751 174.144 174.700 0.325 0.000 0.980 311 T CA -0.389 61.890 62.100 0.299 0.000 1.012 311 T CB 0.889 69.990 68.868 0.390 0.000 0.936 311 T HN 0.342 nan 8.240 nan 0.000 0.457 312 V N 4.180 124.241 119.914 0.245 0.000 2.487 312 V HA 0.510 4.630 4.120 -0.000 0.000 0.298 312 V C -0.199 175.984 176.094 0.150 0.000 1.028 312 V CA -0.772 61.642 62.300 0.190 0.000 0.860 312 V CB 1.909 33.775 31.823 0.070 0.000 0.991 312 V HN 0.664 nan 8.190 nan 0.000 0.427 313 V N 6.034 125.968 119.914 0.033 0.000 2.547 313 V HA 0.575 4.695 4.120 -0.000 0.000 0.299 313 V C -0.319 175.636 176.094 -0.231 0.000 1.040 313 V CA -0.565 61.664 62.300 -0.118 0.000 0.913 313 V CB 1.953 33.578 31.823 -0.329 0.000 0.992 313 V HN 0.630 nan 8.190 nan 0.000 0.449 314 L N 2.859 124.019 121.223 -0.106 0.000 2.386 314 L HA 0.528 4.868 4.340 -0.000 0.000 0.271 314 L C -0.198 176.716 176.870 0.073 0.000 0.993 314 L CA -0.442 54.394 54.840 -0.007 0.000 0.819 314 L CB 2.317 44.391 42.059 0.024 0.000 1.294 314 L HN 0.513 nan 8.230 nan 0.000 0.414 315 T N 4.359 119.018 114.554 0.175 0.000 2.762 315 T HA 0.395 4.745 4.350 -0.000 0.000 0.303 315 T C 0.233 175.015 174.700 0.137 0.000 0.977 315 T CA -0.279 61.948 62.100 0.211 0.000 0.961 315 T CB 0.134 69.154 68.868 0.253 0.000 0.944 315 T HN 0.287 nan 8.240 nan 0.000 0.481 316 L N 4.680 126.004 121.223 0.169 0.000 2.328 316 L HA 0.174 4.514 4.340 -0.000 0.000 0.280 316 L C 2.190 179.192 176.870 0.220 0.000 1.111 316 L CA -0.561 54.388 54.840 0.182 0.000 0.909 316 L CB -0.031 42.154 42.059 0.210 0.000 1.277 316 L HN 0.798 nan 8.230 nan 0.000 0.433 317 T N -0.824 113.840 114.554 0.184 0.000 2.685 317 T HA -0.098 4.252 4.350 -0.000 0.000 0.268 317 T C 0.918 175.797 174.700 0.298 0.000 1.034 317 T CA 1.038 63.316 62.100 0.296 0.000 1.149 317 T CB -0.100 68.939 68.868 0.285 0.000 0.860 317 T HN 0.596 nan 8.240 nan 0.000 0.449 318 G N -0.494 108.418 108.800 0.187 0.000 2.660 318 G HA2 0.499 4.459 3.960 -0.000 0.000 0.294 318 G HA3 0.499 4.459 3.960 -0.000 0.000 0.294 318 G C -1.572 173.378 174.900 0.084 0.000 1.369 318 G CA -0.757 44.415 45.100 0.120 0.000 0.912 318 G HN 0.345 nan 8.290 nan 0.000 0.479 319 H N 0.338 119.386 119.070 -0.037 0.000 2.732 319 H HA 0.211 4.767 4.556 -0.000 0.000 0.351 319 H C 1.721 176.894 175.328 -0.260 0.000 1.090 319 H CA 0.882 56.880 56.048 -0.084 0.000 1.431 319 H CB 1.618 31.317 29.762 -0.105 0.000 1.447 319 H HN 0.563 nan 8.280 nan 0.000 0.582 320 G N 4.339 112.731 108.800 -0.681 0.000 2.450 320 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.220 320 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.220 320 G C 1.832 176.337 174.900 -0.658 0.000 1.130 320 G CA 0.387 44.588 45.100 -1.498 0.000 0.760 320 G HN 0.652 nan 8.290 nan 0.000 0.557 321 L N -0.025 121.216 121.223 0.030 0.000 2.349 321 L HA -0.075 4.264 4.340 -0.000 0.000 0.220 321 L C 2.793 179.704 176.870 0.067 0.000 1.130 321 L CA 0.662 55.602 54.840 0.166 0.000 0.791 321 L CB -0.207 41.890 42.059 0.063 0.000 0.918 321 L HN 0.105 nan 8.230 nan 0.000 0.444 322 K N -0.135 120.280 120.400 0.025 0.000 2.097 322 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 322 K C 0.515 177.132 176.600 0.030 0.000 1.049 322 K CA 1.112 57.411 56.287 0.020 0.000 0.933 322 K CB -0.209 32.298 32.500 0.011 0.000 0.717 322 K HN 0.195 nan 8.250 nan 0.000 0.442 323 D N -0.052 120.370 120.400 0.036 0.000 2.613 323 D HA 0.114 4.754 4.640 -0.000 0.000 0.312 323 D C -1.788 174.594 176.300 0.138 0.000 1.202 323 D CA -1.854 52.181 54.000 0.059 0.000 0.825 323 D CB 0.952 41.763 40.800 0.018 0.000 1.113 323 D HN -0.126 nan 8.370 nan 0.000 0.502 324 P HA -0.149 nan 4.420 nan 0.000 0.219 324 P C 1.307 178.712 177.300 0.176 0.000 1.146 324 P CA 0.690 63.924 63.100 0.223 0.000 0.808 324 P CB 0.314 32.114 31.700 0.166 0.000 0.779 325 A N 0.166 123.055 122.820 0.115 0.000 1.978 325 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 325 A C 2.284 179.928 177.584 0.100 0.000 1.170 325 A CA 2.215 54.303 52.037 0.086 0.000 0.636 325 A CB -1.888 17.142 19.000 0.050 0.000 0.810 325 A HN 0.213 nan 8.150 nan 0.000 0.448 326 T N 0.113 114.736 114.554 0.115 0.000 3.007 326 T HA 0.104 4.454 4.350 -0.000 0.000 0.270 326 T C 2.051 176.892 174.700 0.234 0.000 1.107 326 T CA 0.970 63.135 62.100 0.108 0.000 1.118 326 T CB -0.303 68.545 68.868 -0.032 0.000 0.889 326 T HN 0.605 nan 8.240 nan 0.000 0.506 327 A N 1.992 124.985 122.820 0.287 0.000 1.908 327 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 327 A C 2.109 179.781 177.584 0.147 0.000 1.181 327 A CA 1.511 53.702 52.037 0.257 0.000 0.627 327 A CB -0.501 18.603 19.000 0.173 0.000 0.818 327 A HN 0.561 nan 8.150 nan 0.000 0.445 328 E N -0.609 119.657 120.200 0.109 0.000 2.333 328 E HA -0.148 4.201 4.350 -0.000 0.000 0.198 328 E C 1.972 178.616 176.600 0.074 0.000 1.007 328 E CA 0.463 56.905 56.400 0.070 0.000 0.845 328 E CB -0.079 29.654 29.700 0.055 0.000 0.766 328 E HN 0.424 nan 8.360 nan 0.000 0.507 329 R N 0.253 120.814 120.500 0.102 0.000 2.189 329 R HA -0.052 4.288 4.340 -0.000 0.000 0.218 329 R C 2.055 178.416 176.300 0.102 0.000 1.074 329 R CA 1.116 57.273 56.100 0.094 0.000 0.991 329 R CB 0.039 30.396 30.300 0.096 0.000 0.883 329 R HN 0.233 nan 8.270 nan 0.000 0.457 330 V N -4.122 115.866 119.914 0.123 0.000 3.432 330 V HA 0.633 4.753 4.120 -0.000 0.000 0.298 330 V C 0.146 176.260 176.094 0.032 0.000 1.464 330 V CA 0.000 62.354 62.300 0.090 0.000 1.046 330 V CB 0.444 32.343 31.823 0.128 0.000 0.887 330 V HN 0.094 nan 8.190 nan 0.000 0.441 331 A N 0.272 123.109 122.820 0.029 0.000 2.582 331 A HA 0.742 5.062 4.320 -0.000 0.000 0.297 331 A C -1.359 176.229 177.584 0.006 0.000 1.059 331 A CA -0.340 51.697 52.037 -0.000 0.000 0.705 331 A CB 1.758 20.739 19.000 -0.032 0.000 1.279 331 A HN 0.335 nan 8.150 nan 0.000 0.404 332 E N 0.670 120.870 120.200 -0.001 0.000 2.191 332 E HA 0.614 4.964 4.350 -0.000 0.000 0.274 332 E C -1.273 175.323 176.600 -0.006 0.000 0.948 332 E CA -0.578 55.823 56.400 0.002 0.000 0.802 332 E CB 1.464 31.166 29.700 0.004 0.000 1.137 332 E HN 0.775 nan 8.360 nan 0.000 0.397 333 L N 6.080 127.301 121.223 -0.003 0.000 2.278 333 L HA 0.469 4.809 4.340 -0.000 0.000 0.287 333 L C -2.317 174.550 176.870 -0.006 0.000 1.072 333 L CA -1.549 53.287 54.840 -0.007 0.000 0.819 333 L CB 0.547 42.605 42.059 -0.003 0.000 1.176 333 L HN 0.541 nan 8.230 nan 0.000 0.435 334 P HA 0.225 nan 4.420 nan 0.000 0.271 334 P C -2.434 174.863 177.300 -0.006 0.000 1.216 334 P CA -0.728 62.368 63.100 -0.008 0.000 0.771 334 P CB -0.127 31.567 31.700 -0.011 0.000 0.864 335 P HA 0.199 nan 4.420 nan 0.000 0.269 335 P C -2.381 174.916 177.300 -0.004 0.000 1.215 335 P CA -0.970 62.128 63.100 -0.003 0.000 0.780 335 P CB -0.586 31.113 31.700 -0.002 0.000 0.898 336 P HA 0.093 nan 4.420 nan 0.000 0.268 336 P C -0.450 176.848 177.300 -0.004 0.000 1.208 336 P CA -0.035 63.063 63.100 -0.004 0.000 0.777 336 P CB 0.243 31.941 31.700 -0.003 0.000 0.875 337 V N -0.671 119.241 119.914 -0.005 0.000 3.040 337 V HA 0.709 4.829 4.120 -0.000 0.000 0.312 337 V C -2.619 173.473 176.094 -0.004 0.000 1.115 337 V CA -2.451 59.846 62.300 -0.004 0.000 0.998 337 V CB 0.749 32.569 31.823 -0.005 0.000 1.042 337 V HN 0.335 nan 8.190 nan 0.000 0.433 338 P HA 0.347 nan 4.420 nan 0.000 0.269 338 P C -0.120 177.178 177.300 -0.004 0.000 1.217 338 P CA 0.170 63.268 63.100 -0.004 0.000 0.783 338 P CB 0.402 32.100 31.700 -0.003 0.000 0.898 339 A N 3.107 125.925 122.820 -0.004 0.000 3.063 339 A HA 0.192 4.512 4.320 -0.000 0.000 0.263 339 A C 0.109 177.691 177.584 -0.004 0.000 1.736 339 A CA -0.007 52.028 52.037 -0.004 0.000 1.408 339 A CB -0.873 18.125 19.000 -0.004 0.000 1.108 339 A HN 0.425 nan 8.150 nan 0.000 0.621 340 R N 1.251 121.748 120.500 -0.004 0.000 2.538 340 R HA 0.268 4.607 4.340 -0.000 0.000 0.292 340 R C 0.696 176.993 176.300 -0.005 0.000 1.008 340 R CA -0.948 55.149 56.100 -0.004 0.000 0.896 340 R CB 1.293 31.591 30.300 -0.004 0.000 1.187 340 R HN 0.359 nan 8.270 nan 0.000 0.440 341 L N 3.087 124.307 121.223 -0.005 0.000 2.064 341 L HA -0.253 4.087 4.340 -0.000 0.000 0.216 341 L C 1.947 178.814 176.870 -0.005 0.000 1.077 341 L CA 2.250 57.087 54.840 -0.005 0.000 0.766 341 L CB -0.472 41.584 42.059 -0.005 0.000 0.890 341 L HN 0.878 nan 8.230 nan 0.000 0.435 342 E N -0.290 119.907 120.200 -0.005 0.000 2.033 342 E HA -0.268 4.082 4.350 -0.000 0.000 0.199 342 E C 1.999 178.596 176.600 -0.005 0.000 1.011 342 E CA 1.885 58.282 56.400 -0.005 0.000 0.815 342 E CB -0.077 29.620 29.700 -0.004 0.000 0.755 342 E HN 0.579 nan 8.360 nan 0.000 0.451 343 A N 0.572 123.389 122.820 -0.005 0.000 1.969 343 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 343 A C 2.418 179.998 177.584 -0.006 0.000 1.169 343 A CA 1.319 53.353 52.037 -0.005 0.000 0.635 343 A CB -0.450 18.547 19.000 -0.005 0.000 0.810 343 A HN 0.245 nan 8.150 nan 0.000 0.445 344 V N -0.187 119.723 119.914 -0.006 0.000 2.307 344 V HA -0.211 3.908 4.120 -0.000 0.000 0.245 344 V C 3.048 179.137 176.094 -0.008 0.000 1.045 344 V CA 1.789 64.084 62.300 -0.008 0.000 1.024 344 V CB -1.173 30.645 31.823 -0.008 0.000 0.651 344 V HN 0.591 nan 8.190 nan 0.000 0.449 345 A N -0.012 122.804 122.820 -0.008 0.000 1.978 345 A HA -0.143 4.176 4.320 -0.000 0.000 0.220 345 A C 2.384 179.963 177.584 -0.008 0.000 1.170 345 A CA 2.180 54.212 52.037 -0.008 0.000 0.636 345 A CB -0.659 18.337 19.000 -0.007 0.000 0.810 345 A HN 0.571 nan 8.150 nan 0.000 0.448 346 A N -0.279 122.536 122.820 -0.007 0.000 1.872 346 A HA 0.254 4.574 4.320 -0.000 0.000 0.214 346 A C 2.488 180.067 177.584 -0.008 0.000 1.187 346 A CA 1.797 53.829 52.037 -0.007 0.000 0.614 346 A CB -0.987 18.009 19.000 -0.006 0.000 0.826 346 A HN 1.053 nan 8.150 nan 0.000 0.442 347 A N -0.247 122.568 122.820 -0.008 0.000 2.015 347 A HA 0.232 4.552 4.320 -0.000 0.000 0.219 347 A C 2.293 179.870 177.584 -0.012 0.000 1.163 347 A CA 1.723 53.754 52.037 -0.009 0.000 0.646 347 A CB -0.740 18.254 19.000 -0.009 0.000 0.806 347 A HN 1.040 nan 8.150 nan 0.000 0.448 348 A N -1.666 121.147 122.820 -0.012 0.000 2.206 348 A HA 0.375 4.695 4.320 -0.000 0.000 0.211 348 A C 1.865 179.440 177.584 -0.014 0.000 1.158 348 A CA 1.283 53.311 52.037 -0.014 0.000 0.761 348 A CB -0.954 18.038 19.000 -0.014 0.000 0.801 348 A HN 1.875 nan 8.150 nan 0.000 0.473 349 G N -1.860 106.933 108.800 -0.012 0.000 2.143 349 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.248 349 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.248 349 G C 0.183 175.076 174.900 -0.011 0.000 0.991 349 G CA 0.372 45.465 45.100 -0.012 0.000 0.689 349 G HN 0.429 nan 8.290 nan 0.000 0.522 350 L N 0.084 121.301 121.223 -0.010 0.000 2.805 350 L HA 0.601 4.941 4.340 -0.000 0.000 0.237 350 L C 0.962 177.828 176.870 -0.008 0.000 1.252 350 L CA 0.537 55.371 54.840 -0.010 0.000 1.064 350 L CB -0.312 41.742 42.059 -0.010 0.000 1.361 350 L HN 0.394 nan 8.230 nan 0.000 0.474 351 L N 0.000 121.218 121.223 -0.008 0.000 2.949 351 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 351 L CA 0.000 54.836 54.840 -0.007 0.000 0.813 351 L CB 0.000 42.055 42.059 -0.006 0.000 0.961 351 L HN 0.000 nan 8.230 nan 0.000 0.502