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 3l2q_1_A DATA FIRST_RESID 10 DATA SEQUENCE AELDQLLQGH YIKGYPKQYT YFLEDGKVKV SRPEGVKIIP PQSDRQKIVL DATA SEQUENCE QAHNLAHTGR EATLLKIANL YWWPNMRKDV VKQLGRCQQC LITNASNKAS DATA SEQUENCE GPILRPDRPQ KPFDKFFIDY IGPLPPSQGY LYVLVVVDGM TGFTWLYPTK DATA SEQUENCE APSTSATVKS LNVLTSIAIP KVIHSDQGAA FTSSTFAEWA KERGIHLEFS DATA SEQUENCE TPYHPQSSGK VERKNSDIKR LLTKLLVGRP TKWYDLLPVV QLALNNTYSP DATA SEQUENCE VLKYTPHQLL FGIDSNTPFA NQDTLDLTRE EELSLLQEIR TSLYHPSTPP DATA SEQUENCE ASSRSWSPVV GQLVQERVAR PASLRPRWHK PSTVLKVLNP RTVVILDHLG DATA SEQUENCE NNRTVSIDNL KPTSH 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 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.537 177.584 -0.078 0.000 1.274 10 A CA 0.000 51.999 52.037 -0.063 0.000 0.836 10 A CB 0.000 18.967 19.000 -0.055 0.000 0.831 11 E N 0.889 121.037 120.200 -0.087 0.000 2.418 11 E HA 0.087 4.438 4.350 0.001 0.000 0.197 11 E C 0.941 177.442 176.600 -0.165 0.000 1.026 11 E CA 1.351 57.686 56.400 -0.108 0.000 0.862 11 E CB -0.337 29.310 29.700 -0.089 0.000 0.799 11 E HN 0.509 nan 8.360 nan 0.000 0.518 12 L N 0.887 122.017 121.223 -0.155 0.000 2.592 12 L HA 0.097 4.437 4.340 0.001 0.000 0.227 12 L C 1.782 178.564 176.870 -0.146 0.000 1.127 12 L CA 0.502 55.225 54.840 -0.195 0.000 0.884 12 L CB -0.117 41.856 42.059 -0.142 0.000 1.065 12 L HN 0.096 nan 8.230 nan 0.000 0.457 13 D N 0.523 120.855 120.400 -0.113 0.000 2.078 13 D HA -0.203 4.437 4.640 0.001 0.000 0.193 13 D C 1.877 178.122 176.300 -0.091 0.000 0.990 13 D CA 1.422 55.371 54.000 -0.084 0.000 0.827 13 D CB 0.311 41.067 40.800 -0.074 0.000 0.975 13 D HN 0.302 nan 8.370 nan 0.000 0.451 14 Q N 0.180 119.910 119.800 -0.117 0.000 2.197 14 Q HA -0.149 4.192 4.340 0.001 0.000 0.207 14 Q C 2.083 178.046 176.000 -0.061 0.000 0.984 14 Q CA 0.762 56.499 55.803 -0.110 0.000 0.869 14 Q CB -0.305 28.359 28.738 -0.124 0.000 0.906 14 Q HN 0.251 nan 8.270 nan 0.000 0.426 15 L N -0.245 120.883 121.223 -0.158 0.000 1.994 15 L HA -0.128 4.212 4.340 0.001 0.000 0.208 15 L C 1.814 178.636 176.870 -0.081 0.000 1.071 15 L CA 1.557 56.253 54.840 -0.239 0.000 0.745 15 L CB -0.456 41.305 42.059 -0.496 0.000 0.892 15 L HN 0.240 nan 8.230 nan 0.000 0.431 16 L N -0.927 120.279 121.223 -0.028 0.000 2.127 16 L HA -0.276 4.065 4.340 0.001 0.000 0.211 16 L C 2.462 179.395 176.870 0.105 0.000 1.089 16 L CA 1.361 56.243 54.840 0.071 0.000 0.757 16 L CB -0.447 41.643 42.059 0.051 0.000 0.899 16 L HN 0.423 nan 8.230 nan 0.000 0.434 17 Q N -0.661 119.198 119.800 0.099 0.000 2.378 17 Q HA 0.070 4.410 4.340 0.001 0.000 0.205 17 Q C 1.391 177.497 176.000 0.177 0.000 0.954 17 Q CA 0.685 56.580 55.803 0.153 0.000 0.901 17 Q CB 0.237 29.087 28.738 0.187 0.000 0.981 17 Q HN 0.551 nan 8.270 nan 0.000 0.483 18 G N 0.591 109.484 108.800 0.155 0.000 2.130 18 G HA2 -0.202 3.758 3.960 0.001 0.000 0.216 18 G HA3 -0.202 3.758 3.960 0.001 0.000 0.216 18 G C -0.410 174.513 174.900 0.039 0.000 0.999 18 G CA -0.514 44.651 45.100 0.109 0.000 0.686 18 G HN 0.399 nan 8.290 nan 0.000 0.515 19 H N -0.836 118.260 119.070 0.043 0.000 2.502 19 H HA 0.365 4.921 4.556 0.001 0.000 0.327 19 H C 0.080 175.449 175.328 0.069 0.000 1.099 19 H CA -0.476 55.606 56.048 0.057 0.000 1.323 19 H CB 1.333 31.108 29.762 0.022 0.000 1.450 19 H HN 0.244 nan 8.280 nan 0.000 0.502 20 Y N 3.196 123.549 120.300 0.088 0.000 2.411 20 Y HA 0.209 4.759 4.550 0.001 0.000 0.333 20 Y C -0.465 175.482 175.900 0.077 0.000 1.186 20 Y CA -0.041 58.104 58.100 0.075 0.000 1.381 20 Y CB 0.245 38.748 38.460 0.071 0.000 1.273 20 Y HN 0.417 nan 8.280 nan 0.000 0.546 21 I N 5.394 125.520 120.570 -0.741 0.000 2.499 21 I HA 0.309 4.479 4.170 0.001 0.000 0.288 21 I C -0.307 175.385 176.117 -0.710 0.000 1.048 21 I CA -1.255 59.723 61.300 -0.537 0.000 1.062 21 I CB 1.542 39.406 38.000 -0.227 0.000 1.238 21 I HN 0.682 nan 8.210 nan 0.000 0.426 22 K N 4.094 124.241 120.400 -0.422 0.000 2.405 22 K HA 0.366 4.686 4.320 0.001 0.000 0.273 22 K C 1.045 177.615 176.600 -0.049 0.000 1.116 22 K CA 0.768 56.970 56.287 -0.142 0.000 1.155 22 K CB -0.777 31.741 32.500 0.030 0.000 0.858 22 K HN 1.208 nan 8.250 nan 0.000 0.477 23 G N 1.171 109.965 108.800 -0.009 0.000 2.218 23 G HA2 -0.178 3.782 3.960 0.001 0.000 0.216 23 G HA3 -0.178 3.782 3.960 0.001 0.000 0.216 23 G C -0.087 174.761 174.900 -0.087 0.000 0.994 23 G CA 0.133 45.198 45.100 -0.058 0.000 0.637 23 G HN 0.837 nan 8.290 nan 0.000 0.505 24 Y N 2.695 123.047 120.300 0.086 0.000 2.593 24 Y HA 0.468 5.018 4.550 0.001 0.000 0.331 24 Y C -1.853 174.249 175.900 0.336 0.000 0.986 24 Y CA -2.172 56.069 58.100 0.236 0.000 1.262 24 Y CB 1.362 39.815 38.460 -0.012 0.000 1.098 24 Y HN 0.008 nan 8.280 nan 0.000 0.506 25 P HA -0.009 nan 4.420 nan 0.000 0.262 25 P C -0.135 177.408 177.300 0.405 0.000 1.199 25 P CA -0.032 63.306 63.100 0.398 0.000 0.763 25 P CB 1.028 32.898 31.700 0.284 0.000 0.790 26 K N 2.706 123.313 120.400 0.345 0.000 2.149 26 K HA 0.006 4.326 4.320 0.001 0.000 0.245 26 K C 1.147 177.735 176.600 -0.020 0.000 1.024 26 K CA 0.114 56.555 56.287 0.257 0.000 0.899 26 K CB 0.350 32.988 32.500 0.229 0.000 1.038 26 K HN 0.674 nan 8.250 nan 0.000 0.496 27 Q N -1.252 118.512 119.800 -0.061 0.000 2.942 27 Q HA -0.191 4.150 4.340 0.001 0.000 0.162 27 Q C -1.211 174.623 176.000 -0.277 0.000 0.610 27 Q CA 0.765 56.440 55.803 -0.213 0.000 1.182 27 Q CB -1.379 27.162 28.738 -0.328 0.000 0.917 27 Q HN 0.451 nan 8.270 nan 0.000 1.114 28 Y N 2.947 123.184 120.300 -0.105 0.000 2.330 28 Y HA 0.557 5.108 4.550 0.001 0.000 0.336 28 Y C 0.486 176.167 175.900 -0.364 0.000 1.036 28 Y CA 0.003 57.940 58.100 -0.272 0.000 1.125 28 Y CB 1.725 39.921 38.460 -0.441 0.000 1.194 28 Y HN 0.153 nan 8.280 nan 0.000 0.469 29 T N 0.581 115.100 114.554 -0.058 0.000 2.817 29 T HA 0.416 4.766 4.350 0.001 0.000 0.293 29 T C -0.908 173.790 174.700 -0.005 0.000 0.964 29 T CA -0.620 61.488 62.100 0.013 0.000 1.085 29 T CB 0.001 68.918 68.868 0.082 0.000 0.921 29 T HN 0.354 nan 8.240 nan 0.000 0.502 30 Y N 3.495 123.921 120.300 0.208 0.000 2.353 30 Y HA 0.527 5.077 4.550 0.001 0.000 0.340 30 Y C 0.116 176.131 175.900 0.190 0.000 0.972 30 Y CA -1.450 56.741 58.100 0.151 0.000 1.157 30 Y CB 0.466 38.977 38.460 0.085 0.000 1.157 30 Y HN 0.788 nan 8.280 nan 0.000 0.495 31 F N 1.380 121.421 119.950 0.152 0.000 2.746 31 F HA 0.897 5.424 4.527 0.001 0.000 0.378 31 F C -1.905 173.950 175.800 0.090 0.000 1.165 31 F CA -1.703 56.356 58.000 0.099 0.000 1.089 31 F CB 1.021 40.054 39.000 0.056 0.000 1.439 31 F HN 0.197 nan 8.300 nan 0.000 0.516 32 L N 0.800 122.156 121.223 0.221 0.000 2.386 32 L HA 0.623 4.963 4.340 0.001 0.000 0.271 32 L C -1.350 175.625 176.870 0.175 0.000 0.993 32 L CA -0.094 54.799 54.840 0.087 0.000 0.819 32 L CB 2.020 44.133 42.059 0.090 0.000 1.294 32 L HN 0.827 nan 8.230 nan 0.000 0.414 33 E N 2.954 123.201 120.200 0.078 0.000 2.352 33 E HA 0.309 4.660 4.350 0.001 0.000 0.280 33 E C -1.129 175.503 176.600 0.052 0.000 0.930 33 E CA -0.542 55.921 56.400 0.106 0.000 0.765 33 E CB 1.666 31.465 29.700 0.166 0.000 1.219 33 E HN 0.727 nan 8.360 nan 0.000 0.434 34 D N 1.192 121.623 120.400 0.051 0.000 3.039 34 D HA -0.219 4.421 4.640 0.001 0.000 0.222 34 D C 0.628 176.945 176.300 0.028 0.000 1.179 34 D CA 1.558 55.580 54.000 0.036 0.000 0.880 34 D CB -1.143 39.677 40.800 0.033 0.000 1.115 34 D HN 0.988 nan 8.370 nan 0.000 0.416 35 G N 0.178 108.994 108.800 0.027 0.000 2.273 35 G HA2 -0.346 3.614 3.960 0.001 0.000 0.280 35 G HA3 -0.346 3.614 3.960 0.001 0.000 0.280 35 G C 0.013 174.922 174.900 0.016 0.000 1.047 35 G CA 1.050 46.162 45.100 0.020 0.000 0.869 35 G HN 0.499 nan 8.290 nan 0.000 0.502 36 K N -0.751 119.656 120.400 0.012 0.000 2.371 36 K HA 0.631 4.952 4.320 0.001 0.000 0.251 36 K C 0.095 176.681 176.600 -0.024 0.000 0.934 36 K CA -1.112 55.181 56.287 0.010 0.000 0.798 36 K CB 2.836 35.352 32.500 0.026 0.000 1.204 36 K HN 0.058 nan 8.250 nan 0.000 0.427 37 V N 2.519 122.426 119.914 -0.012 0.000 2.530 37 V HA 0.228 4.348 4.120 0.001 0.000 0.282 37 V C -0.010 176.031 176.094 -0.088 0.000 1.048 37 V CA -0.303 61.972 62.300 -0.041 0.000 0.997 37 V CB 0.296 32.126 31.823 0.013 0.000 0.987 37 V HN 0.654 nan 8.190 nan 0.000 0.477 38 K N 2.922 123.132 120.400 -0.317 0.000 2.395 38 K HA 0.849 5.170 4.320 0.001 0.000 0.247 38 K C -1.492 174.842 176.600 -0.444 0.000 0.973 38 K CA -0.889 55.118 56.287 -0.465 0.000 0.828 38 K CB 2.897 34.897 32.500 -0.834 0.000 1.272 38 K HN 0.423 nan 8.250 nan 0.000 0.439 39 V N 0.535 120.315 119.914 -0.223 0.000 2.760 39 V HA 0.282 4.403 4.120 0.001 0.000 0.309 39 V C -1.101 174.932 176.094 -0.101 0.000 1.077 39 V CA -0.473 61.733 62.300 -0.158 0.000 0.910 39 V CB 2.077 33.783 31.823 -0.194 0.000 1.008 39 V HN 0.819 nan 8.190 nan 0.000 0.424 40 S N 7.204 122.885 115.700 -0.031 0.000 2.416 40 S HA 0.598 5.068 4.470 0.001 0.000 0.287 40 S C -0.184 174.190 174.600 -0.378 0.000 1.139 40 S CA -0.391 57.761 58.200 -0.080 0.000 1.058 40 S CB -0.122 63.088 63.200 0.016 0.000 0.967 40 S HN 0.766 nan 8.310 nan 0.000 0.495 41 R N 4.012 124.255 120.500 -0.429 0.000 2.854 41 R HA 0.389 4.730 4.340 0.001 0.000 0.271 41 R C -1.828 174.248 176.300 -0.373 0.000 0.996 41 R CA -2.259 53.429 56.100 -0.686 0.000 0.961 41 R CB 0.898 30.767 30.300 -0.718 0.000 1.182 41 R HN 0.315 nan 8.270 nan 0.000 0.479 42 P HA -0.287 nan 4.420 nan 0.000 0.217 42 P C 1.313 178.547 177.300 -0.110 0.000 1.162 42 P CA 2.212 65.232 63.100 -0.134 0.000 0.901 42 P CB 0.180 31.834 31.700 -0.075 0.000 0.793 43 E N -0.152 119.977 120.200 -0.119 0.000 2.171 43 E HA 0.100 4.450 4.350 0.001 0.000 0.197 43 E C 1.209 177.767 176.600 -0.071 0.000 0.997 43 E CA 1.582 57.937 56.400 -0.076 0.000 0.810 43 E CB -1.021 28.643 29.700 -0.061 0.000 0.738 43 E HN 0.506 nan 8.360 nan 0.000 0.467 44 G N -2.772 105.969 108.800 -0.099 0.000 2.350 44 G HA2 0.313 4.273 3.960 0.001 0.000 0.276 44 G HA3 0.313 4.273 3.960 0.001 0.000 0.276 44 G C -1.264 173.587 174.900 -0.082 0.000 1.313 44 G CA -0.216 44.840 45.100 -0.072 0.000 0.903 44 G HN 0.672 nan 8.290 nan 0.000 0.490 45 V N 2.048 121.942 119.914 -0.034 0.000 2.370 45 V HA 0.610 4.730 4.120 0.001 0.000 0.279 45 V C -0.450 175.637 176.094 -0.013 0.000 1.029 45 V CA -0.542 61.758 62.300 -0.000 0.000 0.870 45 V CB 1.294 33.175 31.823 0.097 0.000 0.984 45 V HN 0.575 nan 8.190 nan 0.000 0.451 46 K N 4.802 125.189 120.400 -0.020 0.000 2.316 46 K HA 0.613 4.933 4.320 0.001 0.000 0.251 46 K C -0.714 175.919 176.600 0.055 0.000 0.934 46 K CA -0.788 55.511 56.287 0.020 0.000 0.802 46 K CB 2.845 35.407 32.500 0.105 0.000 1.171 46 K HN 0.440 nan 8.250 nan 0.000 0.426 47 I N 2.855 123.454 120.570 0.048 0.000 2.496 47 I HA 0.150 4.320 4.170 0.001 0.000 0.285 47 I C 0.337 176.670 176.117 0.360 0.000 1.080 47 I CA -0.141 61.234 61.300 0.125 0.000 1.404 47 I CB 0.286 38.325 38.000 0.066 0.000 1.403 47 I HN 0.303 nan 8.210 nan 0.000 0.539 48 I N 9.023 129.791 120.570 0.330 0.000 2.306 48 I HA 0.277 4.447 4.170 0.001 0.000 0.288 48 I C -2.023 174.263 176.117 0.281 0.000 1.036 48 I CA -1.853 59.704 61.300 0.428 0.000 1.221 48 I CB 0.492 38.769 38.000 0.461 0.000 1.385 48 I HN 0.339 nan 8.210 nan 0.000 0.472 49 P HA 0.312 nan 4.420 nan 0.000 0.274 49 P C -2.664 174.583 177.300 -0.088 0.000 1.237 49 P CA -1.747 61.364 63.100 0.019 0.000 0.793 49 P CB -0.002 31.584 31.700 -0.190 0.000 0.977 50 P HA 0.102 nan 4.420 nan 0.000 0.272 50 P C 1.097 178.263 177.300 -0.223 0.000 1.223 50 P CA -0.099 62.924 63.100 -0.128 0.000 0.784 50 P CB 0.347 31.989 31.700 -0.097 0.000 0.923 51 Q N 2.605 122.286 119.800 -0.198 0.000 2.065 51 Q HA -0.308 4.033 4.340 0.001 0.000 0.213 51 Q C 1.897 177.748 176.000 -0.249 0.000 1.012 51 Q CA 3.284 58.944 55.803 -0.238 0.000 0.876 51 Q CB -1.110 27.538 28.738 -0.150 0.000 0.954 51 Q HN 0.551 nan 8.270 nan 0.000 0.413 52 S N -0.842 114.750 115.700 -0.180 0.000 2.419 52 S HA -0.142 4.329 4.470 0.001 0.000 0.233 52 S C 1.403 175.895 174.600 -0.180 0.000 1.016 52 S CA 1.287 59.394 58.200 -0.155 0.000 0.974 52 S CB -0.278 62.855 63.200 -0.111 0.000 0.786 52 S HN 0.420 nan 8.310 nan 0.000 0.492 53 D N 1.349 121.621 120.400 -0.213 0.000 2.317 53 D HA 0.089 4.729 4.640 0.001 0.000 0.211 53 D C 2.113 178.218 176.300 -0.324 0.000 0.966 53 D CA 0.417 54.281 54.000 -0.227 0.000 0.876 53 D CB -0.154 40.523 40.800 -0.205 0.000 0.927 53 D HN 0.483 nan 8.370 nan 0.000 0.519 54 R N 0.433 120.659 120.500 -0.457 0.000 2.092 54 R HA -0.068 4.272 4.340 0.001 0.000 0.231 54 R C 2.270 178.348 176.300 -0.369 0.000 1.119 54 R CA 0.743 56.439 56.100 -0.673 0.000 0.970 54 R CB -0.080 29.565 30.300 -1.091 0.000 0.864 54 R HN 0.201 nan 8.270 nan 0.000 0.440 55 Q N 1.210 120.859 119.800 -0.252 0.000 2.050 55 Q HA -0.204 4.136 4.340 0.001 0.000 0.202 55 Q C 2.053 177.985 176.000 -0.114 0.000 0.980 55 Q CA 1.451 57.166 55.803 -0.147 0.000 0.840 55 Q CB 0.027 28.692 28.738 -0.122 0.000 0.898 55 Q HN 0.126 nan 8.270 nan 0.000 0.424 56 K N 0.462 120.786 120.400 -0.127 0.000 2.074 56 K HA -0.184 4.136 4.320 0.001 0.000 0.209 56 K C 2.031 178.581 176.600 -0.084 0.000 1.048 56 K CA 1.472 57.702 56.287 -0.095 0.000 0.926 56 K CB -0.222 32.219 32.500 -0.099 0.000 0.713 56 K HN 0.311 nan 8.250 nan 0.000 0.444 57 I N 0.495 120.989 120.570 -0.128 0.000 2.163 57 I HA -0.262 3.908 4.170 0.001 0.000 0.240 57 I C 2.341 178.457 176.117 -0.002 0.000 1.081 57 I CA 0.811 62.049 61.300 -0.103 0.000 1.353 57 I CB -0.250 37.596 38.000 -0.256 0.000 1.054 57 I HN -0.061 nan 8.210 nan 0.000 0.407 58 V N 0.896 120.830 119.914 0.034 0.000 2.282 58 V HA -0.314 3.806 4.120 0.001 0.000 0.249 58 V C 2.450 178.564 176.094 0.032 0.000 1.057 58 V CA 1.836 64.175 62.300 0.066 0.000 1.032 58 V CB -0.671 31.191 31.823 0.064 0.000 0.645 58 V HN 0.350 nan 8.190 nan 0.000 0.447 59 L N -0.363 120.859 121.223 -0.002 0.000 2.017 59 L HA -0.216 4.124 4.340 0.001 0.000 0.208 59 L C 2.553 179.433 176.870 0.017 0.000 1.073 59 L CA 1.976 56.817 54.840 0.002 0.000 0.745 59 L CB -0.644 41.401 42.059 -0.023 0.000 0.894 59 L HN 0.342 nan 8.230 nan 0.000 0.432 60 Q N -1.130 118.673 119.800 0.006 0.000 2.061 60 Q HA -0.214 4.127 4.340 0.001 0.000 0.204 60 Q C 2.271 178.277 176.000 0.010 0.000 0.984 60 Q CA 1.806 57.612 55.803 0.006 0.000 0.846 60 Q CB -0.396 28.352 28.738 0.015 0.000 0.902 60 Q HN 0.680 nan 8.270 nan 0.000 0.421 61 A N 0.412 123.255 122.820 0.038 0.000 1.883 61 A HA -0.285 4.036 4.320 0.001 0.000 0.217 61 A C 1.815 179.408 177.584 0.015 0.000 1.186 61 A CA 2.046 54.108 52.037 0.042 0.000 0.624 61 A CB -0.954 18.087 19.000 0.069 0.000 0.822 61 A HN 0.527 nan 8.150 nan 0.000 0.444 62 H N 0.263 119.289 119.070 -0.073 0.000 2.353 62 H HA -0.077 4.479 4.556 0.001 0.000 0.300 62 H C 1.647 176.841 175.328 -0.224 0.000 1.090 62 H CA 1.990 57.964 56.048 -0.123 0.000 1.327 62 H CB -0.123 29.559 29.762 -0.133 0.000 1.383 62 H HN 0.389 nan 8.280 nan 0.000 0.508 63 N N 0.340 118.877 118.700 -0.273 0.000 2.550 63 N HA -0.072 4.668 4.740 0.001 0.000 0.186 63 N C 1.791 177.145 175.510 -0.260 0.000 1.110 63 N CA 0.544 53.332 53.050 -0.437 0.000 0.912 63 N CB -0.086 38.280 38.487 -0.202 0.000 0.968 63 N HN 0.444 nan 8.380 nan 0.000 0.448 64 L N -0.218 120.906 121.223 -0.166 0.000 1.989 64 L HA -0.126 4.214 4.340 0.001 0.000 0.211 64 L C 1.351 178.185 176.870 -0.060 0.000 1.071 64 L CA 1.563 56.356 54.840 -0.078 0.000 0.749 64 L CB -0.208 41.822 42.059 -0.048 0.000 0.890 64 L HN 0.115 nan 8.230 nan 0.000 0.431 65 A N -3.353 119.408 122.820 -0.098 0.000 2.543 65 A HA 0.196 4.516 4.320 0.001 0.000 0.279 65 A C -0.025 177.536 177.584 -0.037 0.000 0.917 65 A CA -0.425 51.595 52.037 -0.029 0.000 1.036 65 A CB -0.223 18.768 19.000 -0.016 0.000 1.227 65 A HN 0.450 nan 8.150 nan 0.000 0.503 66 H N 1.402 120.242 119.070 -0.383 0.000 2.677 66 H HA -0.149 4.407 4.556 0.001 0.000 0.321 66 H C 0.380 175.467 175.328 -0.400 0.000 1.171 66 H CA 1.288 56.927 56.048 -0.681 0.000 1.139 66 H CB -1.817 27.781 29.762 -0.272 0.000 1.515 66 H HN 0.766 nan 8.280 nan 0.000 0.423 67 T N -2.129 112.269 114.554 -0.261 0.000 2.849 67 T HA 0.518 4.868 4.350 0.001 0.000 0.284 67 T C 1.390 176.175 174.700 0.142 0.000 1.004 67 T CA -0.298 61.798 62.100 -0.007 0.000 1.021 67 T CB 2.321 71.183 68.868 -0.010 0.000 1.013 67 T HN 0.391 nan 8.240 nan 0.000 0.527 68 G N -0.013 108.853 108.800 0.109 0.000 2.486 68 G HA2 0.186 4.146 3.960 0.001 0.000 0.272 68 G HA3 0.186 4.146 3.960 0.001 0.000 0.272 68 G C 0.883 175.826 174.900 0.072 0.000 1.426 68 G CA -0.501 44.664 45.100 0.109 0.000 1.058 68 G HN 0.856 nan 8.290 nan 0.000 0.531 69 R N -0.586 119.939 120.500 0.041 0.000 2.096 69 R HA -0.100 4.240 4.340 0.001 0.000 0.229 69 R C 2.312 178.613 176.300 0.001 0.000 1.134 69 R CA 1.900 58.001 56.100 0.002 0.000 0.917 69 R CB -0.535 29.768 30.300 0.006 0.000 0.832 69 R HN 0.546 nan 8.270 nan 0.000 0.430 70 E N 0.255 120.460 120.200 0.008 0.000 2.077 70 E HA -0.149 4.201 4.350 0.001 0.000 0.193 70 E C 1.905 178.506 176.600 0.003 0.000 0.989 70 E CA 1.301 57.701 56.400 0.000 0.000 0.800 70 E CB -0.360 29.343 29.700 0.005 0.000 0.746 70 E HN 0.487 nan 8.360 nan 0.000 0.452 71 A N 0.829 123.657 122.820 0.014 0.000 1.877 71 A HA -0.175 4.145 4.320 0.001 0.000 0.216 71 A C 2.486 180.078 177.584 0.013 0.000 1.186 71 A CA 2.305 54.349 52.037 0.013 0.000 0.620 71 A CB -1.035 17.975 19.000 0.017 0.000 0.822 71 A HN 0.268 nan 8.150 nan 0.000 0.443 72 T N 0.158 114.728 114.554 0.028 0.000 2.759 72 T HA -0.152 4.199 4.350 0.001 0.000 0.269 72 T C 1.860 176.564 174.700 0.007 0.000 1.042 72 T CA 1.486 63.607 62.100 0.036 0.000 1.140 72 T CB -0.427 68.494 68.868 0.088 0.000 0.864 72 T HN 0.411 nan 8.240 nan 0.000 0.455 73 L N 0.689 121.901 121.223 -0.018 0.000 1.994 73 L HA -0.011 4.330 4.340 0.001 0.000 0.208 73 L C 2.271 179.117 176.870 -0.039 0.000 1.071 73 L CA 1.446 56.253 54.840 -0.055 0.000 0.745 73 L CB -0.448 41.565 42.059 -0.077 0.000 0.892 73 L HN 0.204 nan 8.230 nan 0.000 0.431 74 L N -0.244 120.967 121.223 -0.021 0.000 2.089 74 L HA -0.276 4.064 4.340 0.001 0.000 0.213 74 L C 2.766 179.636 176.870 -0.001 0.000 1.079 74 L CA 1.145 55.978 54.840 -0.011 0.000 0.758 74 L CB -0.760 41.295 42.059 -0.005 0.000 0.891 74 L HN 0.282 nan 8.230 nan 0.000 0.433 75 K N 0.405 120.810 120.400 0.008 0.000 1.978 75 K HA -0.130 4.190 4.320 0.001 0.000 0.214 75 K C 2.012 178.641 176.600 0.048 0.000 1.049 75 K CA 1.637 57.939 56.287 0.025 0.000 0.939 75 K CB -0.649 31.868 32.500 0.029 0.000 0.721 75 K HN 0.271 nan 8.250 nan 0.000 0.441 76 I N 1.031 121.634 120.570 0.055 0.000 2.194 76 I HA -0.291 3.879 4.170 0.001 0.000 0.246 76 I C 2.233 178.408 176.117 0.096 0.000 1.093 76 I CA 1.467 62.835 61.300 0.113 0.000 1.355 76 I CB -0.430 37.584 38.000 0.022 0.000 1.046 76 I HN 0.068 nan 8.210 nan 0.000 0.413 77 A N 0.689 123.510 122.820 0.001 0.000 2.172 77 A HA -0.163 4.157 4.320 0.001 0.000 0.216 77 A C 1.913 179.504 177.584 0.011 0.000 1.154 77 A CA 1.356 53.389 52.037 -0.005 0.000 0.701 77 A CB -0.626 18.358 19.000 -0.027 0.000 0.789 77 A HN 0.420 nan 8.150 nan 0.000 0.465 78 N N 0.451 119.154 118.700 0.006 0.000 2.025 78 N HA -0.139 4.601 4.740 0.001 0.000 0.194 78 N C 1.556 177.027 175.510 -0.066 0.000 1.044 78 N CA 1.899 54.937 53.050 -0.020 0.000 0.851 78 N CB -0.418 38.060 38.487 -0.015 0.000 1.036 78 N HN 0.554 nan 8.380 nan 0.000 0.422 79 L N -1.914 119.230 121.223 -0.133 0.000 2.221 79 L HA 0.127 4.468 4.340 0.001 0.000 0.202 79 L C 0.108 176.734 176.870 -0.406 0.000 1.074 79 L CA 0.393 54.999 54.840 -0.389 0.000 0.795 79 L CB -0.242 41.369 42.059 -0.747 0.000 0.960 79 L HN 0.050 nan 8.230 nan 0.000 0.458 80 Y N -2.114 118.245 120.300 0.098 0.000 2.567 80 Y HA 0.419 4.969 4.550 0.001 0.000 0.333 80 Y C -0.668 175.324 175.900 0.153 0.000 1.106 80 Y CA -1.033 57.170 58.100 0.172 0.000 1.157 80 Y CB 1.293 39.931 38.460 0.297 0.000 1.277 80 Y HN -0.108 nan 8.280 nan 0.000 0.490 81 W N 2.787 124.231 121.300 0.240 0.000 3.022 81 W HA 0.597 5.257 4.660 0.001 0.000 0.335 81 W C -2.160 174.535 176.519 0.293 0.000 1.133 81 W CA -1.183 56.206 57.345 0.073 0.000 1.219 81 W CB 1.390 30.877 29.460 0.044 0.000 1.409 81 W HN 0.651 nan 8.180 nan 0.000 0.507 82 W N 3.835 124.474 121.300 -1.101 0.000 2.937 82 W HA 0.743 5.404 4.660 0.001 0.000 0.360 82 W C -3.098 172.417 176.519 -1.674 0.000 1.215 82 W CA -2.404 54.211 57.345 -1.216 0.000 1.183 82 W CB -0.042 29.167 29.460 -0.419 0.000 1.458 82 W HN 0.166 nan 8.180 nan 0.000 0.574 83 P HA 0.143 nan 4.420 nan 0.000 0.276 83 P C -0.529 176.604 177.300 -0.279 0.000 1.230 83 P CA 0.251 63.018 63.100 -0.554 0.000 0.776 83 P CB 0.491 31.928 31.700 -0.439 0.000 0.888 84 N N 2.168 120.714 118.700 -0.257 0.000 2.696 84 N HA -0.185 4.555 4.740 0.001 0.000 0.256 84 N C 0.851 176.247 175.510 -0.189 0.000 1.031 84 N CA 0.614 53.568 53.050 -0.160 0.000 0.730 84 N CB -0.954 37.489 38.487 -0.072 0.000 0.894 84 N HN 0.547 nan 8.380 nan 0.000 0.544 85 M N 0.096 119.444 119.600 -0.420 0.000 2.065 85 M HA -0.173 4.307 4.480 0.001 0.000 0.259 85 M C 2.151 178.307 176.300 -0.240 0.000 1.069 85 M CA 1.770 56.732 55.300 -0.563 0.000 1.110 85 M CB -0.261 31.830 32.600 -0.847 0.000 1.328 85 M HN 0.278 nan 8.290 nan 0.000 0.405 86 R N 0.943 121.328 120.500 -0.191 0.000 2.083 86 R HA -0.163 4.177 4.340 0.001 0.000 0.237 86 R C 2.714 178.968 176.300 -0.076 0.000 1.137 86 R CA 2.332 58.363 56.100 -0.115 0.000 0.951 86 R CB -0.937 29.310 30.300 -0.087 0.000 0.851 86 R HN 0.452 nan 8.270 nan 0.000 0.434 87 K N 1.428 121.793 120.400 -0.059 0.000 2.077 87 K HA -0.263 4.057 4.320 0.001 0.000 0.213 87 K C 1.675 178.258 176.600 -0.028 0.000 1.051 87 K CA 2.301 58.567 56.287 -0.036 0.000 0.929 87 K CB -1.068 31.418 32.500 -0.024 0.000 0.715 87 K HN 0.242 nan 8.250 nan 0.000 0.451 88 D N 0.018 120.426 120.400 0.014 0.000 2.117 88 D HA -0.074 4.566 4.640 0.001 0.000 0.198 88 D C 2.052 178.344 176.300 -0.013 0.000 0.982 88 D CA 1.491 55.515 54.000 0.040 0.000 0.828 88 D CB -0.188 40.731 40.800 0.198 0.000 0.967 88 D HN 0.248 nan 8.370 nan 0.000 0.464 89 V N 1.037 120.930 119.914 -0.035 0.000 2.261 89 V HA -0.233 3.887 4.120 0.001 0.000 0.246 89 V C 2.766 178.759 176.094 -0.167 0.000 1.047 89 V CA 1.227 63.475 62.300 -0.086 0.000 1.015 89 V CB -0.710 31.063 31.823 -0.083 0.000 0.642 89 V HN 0.043 nan 8.190 nan 0.000 0.446 90 V N 0.504 120.316 119.914 -0.170 0.000 2.380 90 V HA -0.316 3.804 4.120 0.001 0.000 0.251 90 V C 2.936 178.870 176.094 -0.267 0.000 1.063 90 V CA 2.697 64.837 62.300 -0.267 0.000 1.055 90 V CB -1.644 30.094 31.823 -0.142 0.000 0.657 90 V HN 0.704 nan 8.190 nan 0.000 0.455 91 K N -0.609 119.698 120.400 -0.154 0.000 2.063 91 K HA -0.253 4.067 4.320 0.001 0.000 0.208 91 K C 2.026 178.537 176.600 -0.149 0.000 1.048 91 K CA 1.773 57.989 56.287 -0.119 0.000 0.928 91 K CB -0.632 31.823 32.500 -0.076 0.000 0.713 91 K HN 0.555 nan 8.250 nan 0.000 0.442 92 Q N -0.024 119.664 119.800 -0.186 0.000 2.049 92 Q HA 0.081 4.421 4.340 0.001 0.000 0.198 92 Q C 2.392 178.209 176.000 -0.305 0.000 0.971 92 Q CA 1.358 57.028 55.803 -0.222 0.000 0.833 92 Q CB -0.281 28.314 28.738 -0.239 0.000 0.896 92 Q HN 0.622 nan 8.270 nan 0.000 0.434 93 L N -0.023 120.953 121.223 -0.411 0.000 2.187 93 L HA -0.144 4.196 4.340 0.001 0.000 0.213 93 L C 2.234 178.963 176.870 -0.235 0.000 1.100 93 L CA 1.232 55.816 54.840 -0.427 0.000 0.765 93 L CB -0.749 40.962 42.059 -0.580 0.000 0.904 93 L HN 0.254 nan 8.230 nan 0.000 0.437 94 G N -0.295 108.373 108.800 -0.220 0.000 2.464 94 G HA2 -0.136 3.825 3.960 0.001 0.000 0.217 94 G HA3 -0.136 3.825 3.960 0.001 0.000 0.217 94 G C 1.665 176.555 174.900 -0.016 0.000 1.138 94 G CA 0.046 45.141 45.100 -0.009 0.000 0.793 94 G HN 0.337 nan 8.290 nan 0.000 0.539 95 R N -0.909 119.554 120.500 -0.062 0.000 2.393 95 R HA 0.178 4.519 4.340 0.001 0.000 0.244 95 R C 0.061 176.345 176.300 -0.027 0.000 0.920 95 R CA -0.352 55.725 56.100 -0.040 0.000 1.076 95 R CB 0.097 30.368 30.300 -0.049 0.000 1.119 95 R HN 0.218 nan 8.270 nan 0.000 0.524 96 C N 2.505 121.784 119.300 -0.034 0.000 2.345 96 C HA 0.078 4.539 4.460 0.001 0.000 0.349 96 C C 1.952 176.981 174.990 0.065 0.000 1.130 96 C CA -0.532 58.507 59.018 0.035 0.000 1.574 96 C CB -0.185 27.601 27.740 0.077 0.000 2.108 96 C HN 0.506 nan 8.230 nan 0.000 0.516 97 Q N 3.259 123.094 119.800 0.057 0.000 2.118 97 Q HA -0.266 4.075 4.340 0.001 0.000 0.211 97 Q C 1.968 177.996 176.000 0.047 0.000 0.998 97 Q CA 2.547 58.378 55.803 0.045 0.000 0.872 97 Q CB -0.063 28.699 28.738 0.040 0.000 0.925 97 Q HN 0.915 nan 8.270 nan 0.000 0.414 98 Q N -1.300 118.538 119.800 0.064 0.000 2.016 98 Q HA -0.089 4.251 4.340 0.001 0.000 0.200 98 Q C 2.416 178.424 176.000 0.013 0.000 0.978 98 Q CA 1.776 57.583 55.803 0.006 0.000 0.833 98 Q CB -0.350 28.337 28.738 -0.085 0.000 0.895 98 Q HN 0.473 nan 8.270 nan 0.000 0.427 99 C N 0.390 119.749 119.300 0.098 0.000 2.413 99 C HA -0.136 4.324 4.460 0.001 0.000 0.276 99 C C 2.491 177.509 174.990 0.047 0.000 1.248 99 C CA 0.531 59.615 59.018 0.110 0.000 1.742 99 C CB -1.120 26.759 27.740 0.231 0.000 2.017 99 C HN 0.500 nan 8.230 nan 0.000 0.481 100 L N 1.263 122.507 121.223 0.035 0.000 1.990 100 L HA -0.191 4.149 4.340 0.001 0.000 0.213 100 L C 2.348 179.189 176.870 -0.048 0.000 1.072 100 L CA 2.189 57.016 54.840 -0.022 0.000 0.755 100 L CB -0.781 41.273 42.059 -0.008 0.000 0.889 100 L HN 0.501 nan 8.230 nan 0.000 0.432 101 I N -4.581 115.998 120.570 0.015 0.000 3.428 101 I HA -0.030 4.141 4.170 0.001 0.000 0.286 101 I C 1.603 177.814 176.117 0.156 0.000 1.287 101 I CA 0.617 61.966 61.300 0.081 0.000 1.396 101 I CB -0.191 37.850 38.000 0.068 0.000 1.062 101 I HN 0.078 nan 8.210 nan 0.000 0.471 102 T N -0.573 114.038 114.554 0.095 0.000 3.085 102 T HA 0.186 4.536 4.350 0.001 0.000 0.241 102 T C 0.737 175.522 174.700 0.140 0.000 0.988 102 T CA -0.231 61.941 62.100 0.121 0.000 1.117 102 T CB -0.263 68.624 68.868 0.032 0.000 0.978 102 T HN 0.186 nan 8.240 nan 0.000 0.454 103 N N 2.276 121.007 118.700 0.052 0.000 2.345 103 N HA 0.380 5.121 4.740 0.001 0.000 0.243 103 N C -0.027 175.490 175.510 0.012 0.000 1.246 103 N CA 0.083 53.148 53.050 0.025 0.000 0.863 103 N CB 0.297 38.775 38.487 -0.014 0.000 1.096 103 N HN 0.495 nan 8.380 nan 0.000 0.446 104 A N 0.929 123.789 122.820 0.066 0.000 2.259 104 A HA 0.410 4.731 4.320 0.001 0.000 0.278 104 A C 0.645 178.190 177.584 -0.066 0.000 1.107 104 A CA -0.405 51.704 52.037 0.120 0.000 0.828 104 A CB 0.320 19.422 19.000 0.169 0.000 1.111 104 A HN 0.541 nan 8.150 nan 0.000 0.498 105 S N -0.383 115.286 115.700 -0.053 0.000 2.617 105 S HA 0.291 4.761 4.470 0.001 0.000 0.269 105 S C 0.599 175.173 174.600 -0.042 0.000 1.292 105 S CA -0.091 58.029 58.200 -0.133 0.000 1.010 105 S CB 0.073 63.202 63.200 -0.120 0.000 0.944 105 S HN 0.820 nan 8.310 nan 0.000 0.536 106 N N 1.731 120.389 118.700 -0.070 0.000 2.241 106 N HA 0.156 4.896 4.740 0.001 0.000 0.238 106 N C -1.253 174.254 175.510 -0.004 0.000 1.244 106 N CA -0.408 52.629 53.050 -0.021 0.000 0.880 106 N CB 0.289 38.760 38.487 -0.027 0.000 1.179 106 N HN 0.389 nan 8.380 nan 0.000 0.513 107 K N 0.581 120.978 120.400 -0.004 0.000 2.397 107 K HA 0.678 4.998 4.320 0.001 0.000 0.253 107 K C -0.910 175.812 176.600 0.203 0.000 0.932 107 K CA -0.691 55.639 56.287 0.072 0.000 0.795 107 K CB 2.787 35.283 32.500 -0.006 0.000 1.159 107 K HN 0.120 nan 8.250 nan 0.000 0.424 108 A N 1.750 124.713 122.820 0.238 0.000 2.295 108 A HA 0.499 4.819 4.320 0.001 0.000 0.318 108 A C 0.107 177.861 177.584 0.284 0.000 1.134 108 A CA -0.590 51.592 52.037 0.242 0.000 0.827 108 A CB 0.501 19.586 19.000 0.141 0.000 1.136 108 A HN 0.751 nan 8.150 nan 0.000 0.493 109 S N 0.900 116.715 115.700 0.193 0.000 2.579 109 S HA 0.453 4.924 4.470 0.001 0.000 0.275 109 S C 0.818 175.346 174.600 -0.120 0.000 1.345 109 S CA -0.200 57.946 58.200 -0.090 0.000 1.031 109 S CB 0.521 63.690 63.200 -0.051 0.000 0.892 109 S HN 1.328 nan 8.310 nan 0.000 0.529 110 G N 1.525 110.171 108.800 -0.257 0.000 2.716 110 G HA2 0.389 4.349 3.960 0.001 0.000 0.251 110 G HA3 0.389 4.349 3.960 0.001 0.000 0.251 110 G C -2.398 172.452 174.900 -0.084 0.000 1.224 110 G CA -1.220 43.791 45.100 -0.149 0.000 0.891 110 G HN 0.622 nan 8.290 nan 0.000 0.561 111 P HA 0.118 nan 4.420 nan 0.000 0.268 111 P C 0.528 177.814 177.300 -0.024 0.000 1.205 111 P CA -0.045 63.040 63.100 -0.025 0.000 0.771 111 P CB 0.657 32.344 31.700 -0.020 0.000 0.858 112 I N 0.413 120.980 120.570 -0.005 0.000 2.938 112 I HA 0.179 4.350 4.170 0.001 0.000 0.285 112 I C -0.164 175.954 176.117 0.001 0.000 1.182 112 I CA -0.448 60.857 61.300 0.009 0.000 1.388 112 I CB -0.062 37.954 38.000 0.027 0.000 1.390 112 I HN 0.122 nan 8.210 nan 0.000 0.600 113 L N 4.338 125.569 121.223 0.012 0.000 2.357 113 L HA 0.480 4.821 4.340 0.001 0.000 0.273 113 L C 0.094 176.972 176.870 0.014 0.000 1.080 113 L CA -0.741 54.107 54.840 0.013 0.000 0.803 113 L CB 0.695 42.769 42.059 0.024 0.000 1.174 113 L HN 0.574 nan 8.230 nan 0.000 0.443 114 R N 2.294 122.798 120.500 0.007 0.000 2.423 114 R HA 0.348 4.688 4.340 0.001 0.000 0.293 114 R C -2.493 173.880 176.300 0.122 0.000 1.196 114 R CA -2.240 53.863 56.100 0.005 0.000 1.262 114 R CB 0.178 30.398 30.300 -0.133 0.000 1.116 114 R HN 0.275 nan 8.270 nan 0.000 0.566 115 P HA -0.024 nan 4.420 nan 0.000 0.265 115 P C -0.286 177.094 177.300 0.133 0.000 1.193 115 P CA 0.138 63.304 63.100 0.110 0.000 0.765 115 P CB 0.649 32.398 31.700 0.082 0.000 0.823 116 D N 2.560 122.965 120.400 0.007 0.000 2.525 116 D HA -0.052 4.588 4.640 0.001 0.000 0.235 116 D C 0.750 176.951 176.300 -0.165 0.000 1.137 116 D CA 0.430 54.264 54.000 -0.277 0.000 0.868 116 D CB 0.688 41.345 40.800 -0.239 0.000 1.180 116 D HN 0.346 nan 8.370 nan 0.000 0.465 117 R N 2.632 122.984 120.500 -0.247 0.000 2.538 117 R HA 0.050 4.391 4.340 0.001 0.000 0.282 117 R C -2.186 174.084 176.300 -0.050 0.000 1.009 117 R CA -0.956 55.104 56.100 -0.067 0.000 1.063 117 R CB 0.155 30.426 30.300 -0.049 0.000 0.945 117 R HN 0.127 nan 8.270 nan 0.000 0.414 118 P HA -0.078 nan 4.420 nan 0.000 0.266 118 P C -0.094 177.201 177.300 -0.009 0.000 1.193 118 P CA 0.173 63.281 63.100 0.014 0.000 0.770 118 P CB 0.628 32.361 31.700 0.056 0.000 0.836 119 Q N 1.527 121.316 119.800 -0.019 0.000 2.020 119 Q HA -0.060 4.280 4.340 0.001 0.000 0.198 119 Q C 0.097 176.087 176.000 -0.016 0.000 0.974 119 Q CA 1.353 57.141 55.803 -0.025 0.000 0.829 119 Q CB -0.035 28.686 28.738 -0.027 0.000 0.894 119 Q HN 0.520 nan 8.270 nan 0.000 0.433 120 K N 0.946 121.344 120.400 -0.004 0.000 2.208 120 K HA 0.404 4.725 4.320 0.001 0.000 0.247 120 K C -2.616 173.990 176.600 0.010 0.000 0.953 120 K CA -2.271 54.020 56.287 0.007 0.000 0.837 120 K CB 1.222 33.738 32.500 0.025 0.000 1.131 120 K HN -0.149 nan 8.250 nan 0.000 0.431 121 P HA 0.030 nan 4.420 nan 0.000 0.269 121 P C -0.540 176.776 177.300 0.026 0.000 1.209 121 P CA 0.152 63.183 63.100 -0.116 0.000 0.776 121 P CB 0.069 31.626 31.700 -0.238 0.000 0.876 122 F N -1.194 118.802 119.950 0.077 0.000 2.656 122 F HA -0.258 4.269 4.527 0.001 0.000 0.381 122 F C 1.289 176.973 175.800 -0.194 0.000 0.603 122 F CA 0.825 58.761 58.000 -0.106 0.000 1.335 122 F CB -2.096 36.825 39.000 -0.132 0.000 1.836 122 F HN 0.261 nan 8.300 nan 0.000 0.290 123 D N 0.578 120.992 120.400 0.023 0.000 2.117 123 D HA -0.031 4.609 4.640 0.001 0.000 0.198 123 D C 1.008 177.260 176.300 -0.079 0.000 0.982 123 D CA 1.744 55.727 54.000 -0.029 0.000 0.828 123 D CB 0.096 40.890 40.800 -0.011 0.000 0.967 123 D HN 0.391 nan 8.370 nan 0.000 0.464 124 K N -0.572 119.799 120.400 -0.049 0.000 2.535 124 K HA 0.236 4.557 4.320 0.001 0.000 0.251 124 K C -1.675 174.984 176.600 0.097 0.000 0.942 124 K CA -0.557 55.670 56.287 -0.100 0.000 0.798 124 K CB 1.279 33.673 32.500 -0.177 0.000 1.267 124 K HN -0.293 nan 8.250 nan 0.000 0.434 125 F N 3.372 123.197 119.950 -0.208 0.000 2.443 125 F HA 0.506 5.034 4.527 0.000 0.000 0.335 125 F C -0.418 175.200 175.800 -0.303 0.000 1.104 125 F CA -1.156 56.776 58.000 -0.114 0.000 1.013 125 F CB 0.978 39.967 39.000 -0.018 0.000 1.136 125 F HN 0.342 nan 8.300 nan 0.000 0.470 126 F N 4.206 124.268 119.950 0.186 0.000 2.436 126 F HA 0.632 5.160 4.527 0.001 0.000 0.340 126 F C 0.185 175.992 175.800 0.013 0.000 1.113 126 F CA -0.900 57.156 58.000 0.093 0.000 1.022 126 F CB 1.397 40.422 39.000 0.043 0.000 1.128 126 F HN 0.254 nan 8.300 nan 0.000 0.466 127 I N -0.317 120.316 120.570 0.105 0.000 2.730 127 I HA 0.867 5.037 4.170 0.001 0.000 0.298 127 I C -1.694 174.368 176.117 -0.092 0.000 1.089 127 I CA -0.649 60.609 61.300 -0.070 0.000 1.041 127 I CB 2.479 40.334 38.000 -0.242 0.000 1.235 127 I HN 0.418 nan 8.210 nan 0.000 0.423 128 D N 2.306 122.680 120.400 -0.044 0.000 2.648 128 D HA 0.438 5.078 4.640 0.001 0.000 0.244 128 D C -2.059 174.261 176.300 0.034 0.000 1.244 128 D CA -0.309 53.752 54.000 0.102 0.000 0.772 128 D CB 1.849 42.719 40.800 0.117 0.000 1.379 128 D HN 0.549 nan 8.370 nan 0.000 0.428 129 Y N 0.946 121.373 120.300 0.211 0.000 2.341 129 Y HA 0.533 5.084 4.550 0.001 0.000 0.337 129 Y C 0.301 176.285 175.900 0.141 0.000 1.014 129 Y CA -0.682 57.514 58.100 0.161 0.000 1.111 129 Y CB 1.401 39.917 38.460 0.093 0.000 1.194 129 Y HN 0.229 nan 8.280 nan 0.000 0.462 130 I N 3.087 123.831 120.570 0.290 0.000 2.396 130 I HA 0.599 4.770 4.170 0.001 0.000 0.292 130 I C 0.559 176.808 176.117 0.221 0.000 0.999 130 I CA 0.345 61.743 61.300 0.163 0.000 1.310 130 I CB 0.950 38.957 38.000 0.013 0.000 1.404 130 I HN 0.854 nan 8.210 nan 0.000 0.496 131 G N 6.384 115.254 108.800 0.117 0.000 2.343 131 G HA2 0.022 3.983 3.960 0.001 0.000 0.465 131 G HA3 0.022 3.983 3.960 0.001 0.000 0.465 131 G C -3.158 171.762 174.900 0.032 0.000 1.282 131 G CA -1.088 43.973 45.100 -0.066 0.000 0.996 131 G HN 0.424 nan 8.290 nan 0.000 0.521 132 P HA 0.647 nan 4.420 nan 0.000 0.277 132 P C 0.016 177.110 177.300 -0.343 0.000 1.240 132 P CA -0.493 62.195 63.100 -0.686 0.000 0.798 132 P CB 0.763 32.187 31.700 -0.461 0.000 0.979 133 L N 1.912 122.942 121.223 -0.323 0.000 2.335 133 L HA 0.520 4.860 4.340 0.001 0.000 0.268 133 L C -2.027 174.877 176.870 0.056 0.000 1.016 133 L CA -2.510 52.243 54.840 -0.144 0.000 0.805 133 L CB 0.744 42.602 42.059 -0.334 0.000 1.311 133 L HN 0.237 nan 8.230 nan 0.000 0.456 134 P HA 0.102 nan 4.420 nan 0.000 0.264 134 P C -2.542 174.945 177.300 0.312 0.000 1.193 134 P CA -1.014 62.206 63.100 0.199 0.000 0.763 134 P CB -0.420 31.398 31.700 0.196 0.000 0.810 135 P HA -0.008 nan 4.420 nan 0.000 0.258 135 P C 0.006 177.310 177.300 0.006 0.000 1.187 135 P CA 0.874 64.036 63.100 0.103 0.000 0.767 135 P CB 0.176 31.896 31.700 0.033 0.000 0.770 136 S N 3.428 119.036 115.700 -0.154 0.000 2.552 136 S HA 0.149 4.619 4.470 0.001 0.000 0.314 136 S C 0.166 174.574 174.600 -0.321 0.000 1.099 136 S CA -0.371 57.578 58.200 -0.418 0.000 1.070 136 S CB 0.142 62.674 63.200 -1.113 0.000 0.998 136 S HN 0.406 nan 8.310 nan 0.000 0.474 137 Q N 2.457 122.106 119.800 -0.251 0.000 2.436 137 Q HA -0.256 4.085 4.340 0.001 0.000 0.264 137 Q C 0.967 176.870 176.000 -0.162 0.000 1.093 137 Q CA 1.400 57.054 55.803 -0.249 0.000 0.994 137 Q CB -1.979 26.436 28.738 -0.538 0.000 1.434 137 Q HN 1.666 nan 8.270 nan 0.000 0.520 138 G N -1.849 106.861 108.800 -0.150 0.000 2.175 138 G HA2 -0.334 3.627 3.960 0.001 0.000 0.244 138 G HA3 -0.334 3.627 3.960 0.001 0.000 0.244 138 G C -0.219 174.517 174.900 -0.273 0.000 0.982 138 G CA 0.329 45.298 45.100 -0.219 0.000 0.641 138 G HN 0.338 nan 8.290 nan 0.000 0.527 139 Y N -0.912 119.364 120.300 -0.041 0.000 2.387 139 Y HA 0.702 5.253 4.550 0.001 0.000 0.330 139 Y C 1.377 177.473 175.900 0.327 0.000 1.133 139 Y CA -0.642 57.551 58.100 0.155 0.000 1.152 139 Y CB 1.520 40.115 38.460 0.226 0.000 1.215 139 Y HN -0.034 nan 8.280 nan 0.000 0.466 140 L N 0.744 122.295 121.223 0.546 0.000 2.854 140 L HA 0.280 4.620 4.340 0.001 0.000 0.249 140 L C -0.999 175.861 176.870 -0.017 0.000 1.091 140 L CA -0.025 54.973 54.840 0.264 0.000 0.935 140 L CB 0.522 42.577 42.059 -0.008 0.000 1.367 140 L HN 0.526 nan 8.230 nan 0.000 0.524 141 Y N -0.940 119.579 120.300 0.365 0.000 2.570 141 Y HA 0.615 5.166 4.550 0.000 0.000 0.345 141 Y C -0.390 175.688 175.900 0.297 0.000 1.014 141 Y CA -1.148 57.089 58.100 0.229 0.000 1.063 141 Y CB 2.100 40.666 38.460 0.176 0.000 1.272 141 Y HN -0.470 nan 8.280 nan 0.000 0.477 142 V N 3.435 123.555 119.914 0.344 0.000 2.409 142 V HA 0.301 4.422 4.120 0.001 0.000 0.291 142 V C -0.741 175.508 176.094 0.260 0.000 1.020 142 V CA -0.797 61.654 62.300 0.252 0.000 0.848 142 V CB 1.612 33.443 31.823 0.014 0.000 0.990 142 V HN 0.551 nan 8.190 nan 0.000 0.430 143 L N 6.883 128.215 121.223 0.182 0.000 2.331 143 L HA 0.563 4.903 4.340 0.001 0.000 0.278 143 L C -0.382 176.493 176.870 0.008 0.000 1.106 143 L CA 0.638 55.373 54.840 -0.175 0.000 0.824 143 L CB 1.188 43.127 42.059 -0.200 0.000 1.142 143 L HN 0.460 nan 8.230 nan 0.000 0.443 144 V N 5.796 125.676 119.914 -0.057 0.000 2.540 144 V HA 0.561 4.681 4.120 0.001 0.000 0.302 144 V C -0.692 175.414 176.094 0.020 0.000 1.035 144 V CA -0.640 61.666 62.300 0.010 0.000 0.873 144 V CB 1.963 33.781 31.823 -0.008 0.000 0.992 144 V HN 0.523 nan 8.190 nan 0.000 0.428 145 V N 5.316 125.279 119.914 0.081 0.000 2.482 145 V HA 0.522 4.643 4.120 0.001 0.000 0.295 145 V C -0.487 175.645 176.094 0.064 0.000 1.026 145 V CA -0.585 61.749 62.300 0.058 0.000 0.856 145 V CB 1.920 33.789 31.823 0.078 0.000 1.001 145 V HN 0.585 nan 8.190 nan 0.000 0.424 146 V N 3.041 122.981 119.914 0.042 0.000 2.448 146 V HA 0.382 4.503 4.120 0.001 0.000 0.295 146 V C -0.258 175.905 176.094 0.115 0.000 1.025 146 V CA -0.620 61.717 62.300 0.062 0.000 0.859 146 V CB 2.031 33.899 31.823 0.076 0.000 0.988 146 V HN 0.970 nan 8.190 nan 0.000 0.431 147 D N 3.671 124.138 120.400 0.111 0.000 2.371 147 D HA 0.297 4.937 4.640 0.001 0.000 0.256 147 D C 1.367 177.805 176.300 0.230 0.000 1.193 147 D CA 0.765 54.900 54.000 0.224 0.000 0.881 147 D CB 1.775 42.671 40.800 0.160 0.000 1.143 147 D HN 0.581 nan 8.370 nan 0.000 0.473 148 G N 3.943 112.943 108.800 0.333 0.000 2.476 148 G HA2 -0.308 3.653 3.960 0.001 0.000 0.218 148 G HA3 -0.308 3.653 3.960 0.001 0.000 0.218 148 G C 1.328 176.332 174.900 0.173 0.000 1.164 148 G CA 0.588 45.906 45.100 0.363 0.000 0.768 148 G HN 0.552 nan 8.290 nan 0.000 0.560 149 M N 1.465 121.129 119.600 0.106 0.000 2.099 149 M HA -0.075 4.405 4.480 0.001 0.000 0.262 149 M C 2.643 178.955 176.300 0.020 0.000 1.067 149 M CA 2.431 57.756 55.300 0.042 0.000 1.124 149 M CB -0.843 31.760 32.600 0.004 0.000 1.353 149 M HN 0.415 nan 8.290 nan 0.000 0.410 150 T N -3.790 110.766 114.554 0.004 0.000 3.040 150 T HA 0.300 4.650 4.350 0.001 0.000 0.252 150 T C 1.445 176.153 174.700 0.012 0.000 1.064 150 T CA 0.934 63.026 62.100 -0.013 0.000 1.110 150 T CB -0.073 68.754 68.868 -0.068 0.000 0.921 150 T HN 0.599 nan 8.240 nan 0.000 0.480 151 G N 1.074 109.888 108.800 0.023 0.000 2.143 151 G HA2 -0.241 3.719 3.960 0.001 0.000 0.249 151 G HA3 -0.241 3.719 3.960 0.001 0.000 0.249 151 G C -0.084 174.774 174.900 -0.070 0.000 0.981 151 G CA -0.046 45.047 45.100 -0.012 0.000 0.665 151 G HN 0.619 nan 8.290 nan 0.000 0.528 152 F N 1.958 121.763 119.950 -0.242 0.000 2.563 152 F HA 0.488 5.015 4.527 0.000 0.000 0.363 152 F C 0.815 176.306 175.800 -0.516 0.000 1.123 152 F CA 1.408 59.148 58.000 -0.434 0.000 1.307 152 F CB 0.931 39.573 39.000 -0.598 0.000 1.115 152 F HN 0.036 nan 8.300 nan 0.000 0.592 153 T N 5.337 119.421 114.554 -0.783 0.000 2.928 153 T HA 0.222 4.572 4.350 0.001 0.000 0.296 153 T C -1.167 173.200 174.700 -0.555 0.000 1.000 153 T CA -0.540 61.273 62.100 -0.477 0.000 0.989 153 T CB 0.769 69.441 68.868 -0.326 0.000 1.005 153 T HN 0.423 nan 8.240 nan 0.000 0.442 154 W N 3.662 124.912 121.300 -0.083 0.000 2.469 154 W HA 0.595 5.256 4.660 0.001 0.000 0.320 154 W C -0.754 175.647 176.519 -0.198 0.000 1.086 154 W CA -0.948 56.331 57.345 -0.111 0.000 1.211 154 W CB 1.160 30.670 29.460 0.084 0.000 1.298 154 W HN 0.331 nan 8.180 nan 0.000 0.525 155 L N 3.762 124.847 121.223 -0.230 0.000 2.341 155 L HA 0.485 4.826 4.340 0.001 0.000 0.278 155 L C -1.352 175.230 176.870 -0.479 0.000 1.005 155 L CA -1.068 53.642 54.840 -0.217 0.000 0.818 155 L CB 1.292 43.256 42.059 -0.159 0.000 1.259 155 L HN 0.295 nan 8.230 nan 0.000 0.418 156 Y N 2.913 123.260 120.300 0.078 0.000 2.346 156 Y HA 0.372 4.922 4.550 0.000 0.000 0.332 156 Y C -2.295 173.692 175.900 0.145 0.000 0.985 156 Y CA -2.450 55.704 58.100 0.090 0.000 1.112 156 Y CB 1.937 40.456 38.460 0.098 0.000 1.170 156 Y HN 0.374 nan 8.280 nan 0.000 0.447 157 P HA 0.161 nan 4.420 nan 0.000 0.276 157 P C -0.252 177.336 177.300 0.480 0.000 1.230 157 P CA -0.019 63.278 63.100 0.329 0.000 0.776 157 P CB 1.499 33.216 31.700 0.028 0.000 0.888 158 T N -0.885 114.076 114.554 0.678 0.000 2.865 158 T HA 0.423 4.773 4.350 0.001 0.000 0.294 158 T C 0.612 175.681 174.700 0.614 0.000 1.119 158 T CA -0.781 61.709 62.100 0.649 0.000 1.007 158 T CB 1.876 71.034 68.868 0.484 0.000 1.225 158 T HN 0.194 nan 8.240 nan 0.000 0.515 159 K N 0.002 120.605 120.400 0.338 0.000 2.361 159 K HA 0.577 4.898 4.320 0.001 0.000 0.194 159 K C 0.513 177.237 176.600 0.207 0.000 1.032 159 K CA 0.116 56.518 56.287 0.193 0.000 1.048 159 K CB 0.718 33.202 32.500 -0.028 0.000 0.842 159 K HN 0.763 nan 8.250 nan 0.000 0.526 160 A N 1.620 124.472 122.820 0.054 0.000 2.574 160 A HA 0.416 4.736 4.320 0.001 0.000 0.297 160 A C -2.822 174.334 177.584 -0.713 0.000 1.062 160 A CA -1.352 50.520 52.037 -0.275 0.000 0.686 160 A CB 1.155 20.038 19.000 -0.195 0.000 1.285 160 A HN -0.176 nan 8.150 nan 0.000 0.403 161 P HA 0.189 nan 4.420 nan 0.000 0.225 161 P C -0.220 176.534 177.300 -0.910 0.000 1.813 161 P CA 0.200 62.322 63.100 -1.630 0.000 1.013 161 P CB -0.266 30.557 31.700 -1.462 0.000 1.961 162 S N -0.701 114.659 115.700 -0.567 0.000 2.549 162 S HA 0.353 4.823 4.470 0.001 0.000 0.297 162 S C 1.284 175.755 174.600 -0.215 0.000 1.115 162 S CA -0.384 57.623 58.200 -0.322 0.000 1.059 162 S CB 0.830 63.907 63.200 -0.205 0.000 1.046 162 S HN 0.087 nan 8.310 nan 0.000 0.506 163 T N 2.288 116.721 114.554 -0.201 0.000 2.624 163 T HA -0.221 4.130 4.350 0.001 0.000 0.268 163 T C 2.147 176.802 174.700 -0.076 0.000 1.041 163 T CA 2.178 64.193 62.100 -0.142 0.000 1.159 163 T CB -0.899 67.934 68.868 -0.058 0.000 0.863 163 T HN 0.829 nan 8.240 nan 0.000 0.434 164 S N 1.598 117.266 115.700 -0.053 0.000 2.393 164 S HA -0.266 4.205 4.470 0.001 0.000 0.235 164 S C 2.303 176.890 174.600 -0.021 0.000 1.061 164 S CA 2.006 60.191 58.200 -0.026 0.000 1.129 164 S CB -0.718 62.469 63.200 -0.021 0.000 1.011 164 S HN 0.587 nan 8.310 nan 0.000 0.436 165 A N 0.000 122.815 122.820 -0.008 0.000 2.014 165 A HA 0.071 4.391 4.320 0.001 0.000 0.218 165 A C 2.357 179.967 177.584 0.043 0.000 1.163 165 A CA 1.810 53.876 52.037 0.048 0.000 0.652 165 A CB -1.238 17.821 19.000 0.099 0.000 0.808 165 A HN 0.658 nan 8.150 nan 0.000 0.449 166 T N -0.275 114.295 114.554 0.027 0.000 2.746 166 T HA -0.109 4.242 4.350 0.001 0.000 0.267 166 T C 1.864 176.438 174.700 -0.211 0.000 1.039 166 T CA 1.567 63.644 62.100 -0.038 0.000 1.142 166 T CB -0.379 68.455 68.868 -0.056 0.000 0.866 166 T HN 0.153 nan 8.240 nan 0.000 0.444 167 V N 1.500 121.268 119.914 -0.243 0.000 2.307 167 V HA -0.172 3.949 4.120 0.001 0.000 0.245 167 V C 2.499 178.448 176.094 -0.241 0.000 1.045 167 V CA 1.543 63.579 62.300 -0.440 0.000 1.024 167 V CB -0.509 31.118 31.823 -0.325 0.000 0.651 167 V HN 0.447 nan 8.190 nan 0.000 0.449 168 K N 0.139 120.477 120.400 -0.103 0.000 2.059 168 K HA -0.203 4.117 4.320 0.001 0.000 0.212 168 K C 2.402 178.948 176.600 -0.090 0.000 1.050 168 K CA 2.017 58.282 56.287 -0.035 0.000 0.927 168 K CB -0.371 32.141 32.500 0.019 0.000 0.714 168 K HN 0.385 nan 8.250 nan 0.000 0.447 169 S N 1.104 116.694 115.700 -0.183 0.000 2.371 169 S HA -0.021 4.450 4.470 0.001 0.000 0.224 169 S C 1.870 176.126 174.600 -0.573 0.000 1.029 169 S CA 0.887 58.818 58.200 -0.448 0.000 0.978 169 S CB -0.084 62.813 63.200 -0.504 0.000 0.833 169 S HN 0.192 nan 8.310 nan 0.000 0.466 170 L N 1.611 122.622 121.223 -0.354 0.000 2.313 170 L HA 0.003 4.344 4.340 0.001 0.000 0.214 170 L C 1.967 178.882 176.870 0.076 0.000 1.119 170 L CA 0.413 55.151 54.840 -0.171 0.000 0.809 170 L CB -0.504 41.451 42.059 -0.174 0.000 0.933 170 L HN 0.236 nan 8.230 nan 0.000 0.449 171 N N -0.066 118.685 118.700 0.085 0.000 2.142 171 N HA -0.135 4.605 4.740 0.001 0.000 0.186 171 N C 1.915 177.478 175.510 0.088 0.000 1.023 171 N CA 1.111 54.271 53.050 0.182 0.000 0.852 171 N CB -0.261 38.334 38.487 0.180 0.000 0.998 171 N HN 0.087 nan 8.380 nan 0.000 0.424 172 V N 1.456 121.385 119.914 0.024 0.000 2.343 172 V HA -0.166 3.954 4.120 0.001 0.000 0.247 172 V C 2.340 178.468 176.094 0.055 0.000 1.051 172 V CA 0.983 63.318 62.300 0.057 0.000 1.036 172 V CB -0.461 31.423 31.823 0.101 0.000 0.654 172 V HN 0.202 nan 8.190 nan 0.000 0.451 173 L N 1.257 122.466 121.223 -0.024 0.000 2.017 173 L HA -0.131 4.209 4.340 0.001 0.000 0.208 173 L C 2.559 179.407 176.870 -0.036 0.000 1.073 173 L CA 2.842 57.636 54.840 -0.076 0.000 0.745 173 L CB -1.316 40.632 42.059 -0.184 0.000 0.894 173 L HN 0.595 nan 8.230 nan 0.000 0.432 174 T N -3.880 110.699 114.554 0.041 0.000 3.284 174 T HA 0.024 4.374 4.350 0.001 0.000 0.252 174 T C 1.573 176.267 174.700 -0.009 0.000 1.144 174 T CA 0.730 62.846 62.100 0.027 0.000 1.021 174 T CB -0.619 68.286 68.868 0.062 0.000 0.984 174 T HN 0.342 nan 8.240 nan 0.000 0.545 175 S N 1.304 117.013 115.700 0.014 0.000 2.436 175 S HA 0.064 4.535 4.470 0.001 0.000 0.228 175 S C 1.757 176.356 174.600 -0.000 0.000 1.014 175 S CA 0.277 58.484 58.200 0.012 0.000 0.950 175 S CB -0.195 63.031 63.200 0.044 0.000 0.784 175 S HN 0.392 nan 8.310 nan 0.000 0.504 176 I N 1.716 122.294 120.570 0.013 0.000 2.130 176 I HA 0.177 4.347 4.170 0.001 0.000 0.234 176 I C 1.232 177.279 176.117 -0.116 0.000 1.067 176 I CA 0.736 62.049 61.300 0.022 0.000 1.339 176 I CB -1.589 36.495 38.000 0.140 0.000 1.073 176 I HN 0.294 nan 8.210 nan 0.000 0.405 177 A N -0.122 122.577 122.820 -0.202 0.000 2.588 177 A HA 0.724 5.045 4.320 0.001 0.000 0.290 177 A C -1.036 176.356 177.584 -0.320 0.000 1.136 177 A CA -0.478 51.279 52.037 -0.465 0.000 0.681 177 A CB 1.442 19.686 19.000 -1.260 0.000 1.282 177 A HN 0.096 nan 8.150 nan 0.000 0.421 178 I N 2.127 122.484 120.570 -0.355 0.000 2.378 178 I HA 0.396 4.566 4.170 0.001 0.000 0.291 178 I C -2.036 173.900 176.117 -0.302 0.000 0.992 178 I CA -1.997 59.143 61.300 -0.268 0.000 1.154 178 I CB 2.265 40.121 38.000 -0.240 0.000 1.315 178 I HN 0.509 nan 8.210 nan 0.000 0.448 179 P HA 0.252 nan 4.420 nan 0.000 0.276 179 P C -0.252 176.873 177.300 -0.292 0.000 1.252 179 P CA -0.471 62.339 63.100 -0.484 0.000 0.802 179 P CB 1.502 32.602 31.700 -0.999 0.000 1.035 180 K N -0.221 120.049 120.400 -0.217 0.000 2.044 180 K HA 0.099 4.420 4.320 0.001 0.000 0.204 180 K C 0.239 176.761 176.600 -0.130 0.000 1.049 180 K CA 1.019 57.217 56.287 -0.149 0.000 0.945 180 K CB 0.013 32.449 32.500 -0.106 0.000 0.724 180 K HN 0.248 nan 8.250 nan 0.000 0.440 181 V N 1.841 121.666 119.914 -0.148 0.000 2.588 181 V HA 0.353 4.474 4.120 0.001 0.000 0.304 181 V C -0.676 175.325 176.094 -0.155 0.000 1.042 181 V CA -0.763 61.473 62.300 -0.107 0.000 0.877 181 V CB 1.965 33.751 31.823 -0.061 0.000 0.996 181 V HN 0.098 nan 8.190 nan 0.000 0.425 182 I N 3.609 124.097 120.570 -0.137 0.000 2.355 182 I HA 0.406 4.577 4.170 0.001 0.000 0.288 182 I C -0.487 175.509 176.117 -0.201 0.000 0.999 182 I CA -0.404 60.838 61.300 -0.097 0.000 1.163 182 I CB 1.268 39.279 38.000 0.018 0.000 1.316 182 I HN 0.733 nan 8.210 nan 0.000 0.454 183 H N 5.738 124.609 119.070 -0.333 0.000 2.488 183 H HA 0.601 5.158 4.556 0.001 0.000 0.322 183 H C -0.502 174.722 175.328 -0.174 0.000 1.078 183 H CA -0.257 55.607 56.048 -0.306 0.000 1.260 183 H CB 0.995 30.512 29.762 -0.408 0.000 1.425 183 H HN 0.631 nan 8.280 nan 0.000 0.471 184 S N 2.411 117.871 115.700 -0.401 0.000 2.661 184 S HA 0.337 4.807 4.470 0.001 0.000 0.285 184 S C -0.892 173.720 174.600 0.020 0.000 1.138 184 S CA -1.049 57.044 58.200 -0.178 0.000 0.855 184 S CB 1.528 64.421 63.200 -0.511 0.000 1.136 184 S HN 0.767 nan 8.310 nan 0.000 0.484 185 D N -0.105 120.428 120.400 0.221 0.000 2.377 185 D HA 0.200 4.840 4.640 0.001 0.000 0.245 185 D C 0.245 176.762 176.300 0.362 0.000 1.196 185 D CA -0.580 53.581 54.000 0.269 0.000 0.962 185 D CB 0.129 41.061 40.800 0.220 0.000 1.127 185 D HN 0.606 nan 8.370 nan 0.000 0.471 186 Q N -0.165 119.743 119.800 0.179 0.000 2.265 186 Q HA 0.172 4.512 4.340 0.001 0.000 0.217 186 Q C 0.537 176.532 176.000 -0.008 0.000 0.916 186 Q CA -0.335 55.497 55.803 0.047 0.000 0.948 186 Q CB 0.154 28.831 28.738 -0.101 0.000 1.020 186 Q HN 0.583 nan 8.270 nan 0.000 0.462 187 G N 0.082 108.919 108.800 0.062 0.000 2.432 187 G HA2 0.151 4.111 3.960 0.001 0.000 0.239 187 G HA3 0.151 4.111 3.960 0.001 0.000 0.239 187 G C 1.003 175.785 174.900 -0.197 0.000 1.291 187 G CA 0.183 45.230 45.100 -0.088 0.000 0.863 187 G HN 0.343 nan 8.290 nan 0.000 0.560 188 A N 2.562 125.254 122.820 -0.213 0.000 1.971 188 A HA -0.074 4.246 4.320 0.001 0.000 0.222 188 A C 2.760 180.179 177.584 -0.275 0.000 1.182 188 A CA 2.725 54.641 52.037 -0.201 0.000 0.649 188 A CB -0.662 18.233 19.000 -0.174 0.000 0.818 188 A HN 1.516 nan 8.150 nan 0.000 0.458 189 A N -1.829 120.685 122.820 -0.511 0.000 2.019 189 A HA 0.100 4.421 4.320 0.001 0.000 0.219 189 A C 1.618 178.831 177.584 -0.619 0.000 1.164 189 A CA 1.607 53.246 52.037 -0.663 0.000 0.644 189 A CB -0.524 17.900 19.000 -0.961 0.000 0.805 189 A HN 0.558 nan 8.150 nan 0.000 0.449 190 F N -1.062 118.808 119.950 -0.133 0.000 2.727 190 F HA 0.112 4.640 4.527 0.001 0.000 0.302 190 F C 2.150 178.119 175.800 0.281 0.000 1.107 190 F CA 0.877 58.819 58.000 -0.097 0.000 1.277 190 F CB -0.593 38.425 39.000 0.031 0.000 1.079 190 F HN 0.168 nan 8.300 nan 0.000 0.594 191 T N -2.297 112.384 114.554 0.211 0.000 3.107 191 T HA 0.099 4.450 4.350 0.001 0.000 0.249 191 T C 0.946 175.688 174.700 0.070 0.000 1.096 191 T CA 0.237 62.366 62.100 0.049 0.000 1.012 191 T CB -0.686 68.084 68.868 -0.163 0.000 0.977 191 T HN 0.128 nan 8.240 nan 0.000 0.527 192 S N 1.738 117.504 115.700 0.111 0.000 2.579 192 S HA 0.187 4.657 4.470 0.001 0.000 0.275 192 S C 1.511 176.209 174.600 0.163 0.000 1.345 192 S CA -0.091 58.168 58.200 0.097 0.000 1.031 192 S CB 1.075 64.317 63.200 0.071 0.000 0.892 192 S HN 0.416 nan 8.310 nan 0.000 0.529 193 S N 1.715 117.480 115.700 0.109 0.000 2.461 193 S HA -0.061 4.409 4.470 0.001 0.000 0.228 193 S C 1.597 176.277 174.600 0.134 0.000 1.005 193 S CA 0.851 59.117 58.200 0.109 0.000 0.942 193 S CB -1.105 62.134 63.200 0.065 0.000 0.776 193 S HN 0.835 nan 8.310 nan 0.000 0.514 194 T N 1.738 116.382 114.554 0.150 0.000 2.821 194 T HA 0.052 4.402 4.350 0.001 0.000 0.267 194 T C 1.279 176.138 174.700 0.265 0.000 1.046 194 T CA 0.993 63.194 62.100 0.169 0.000 1.139 194 T CB -0.475 68.477 68.868 0.139 0.000 0.871 194 T HN 0.402 nan 8.240 nan 0.000 0.454 195 F N 2.455 122.485 119.950 0.134 0.000 2.113 195 F HA 0.144 4.671 4.527 0.000 0.000 0.297 195 F C 2.546 178.502 175.800 0.261 0.000 1.103 195 F CA 0.534 58.649 58.000 0.191 0.000 1.248 195 F CB -0.940 38.169 39.000 0.182 0.000 0.999 195 F HN 0.150 nan 8.300 nan 0.000 0.475 196 A N -0.115 122.812 122.820 0.178 0.000 1.927 196 A HA -0.273 4.047 4.320 0.001 0.000 0.220 196 A C 2.145 179.733 177.584 0.006 0.000 1.185 196 A CA 2.240 54.312 52.037 0.059 0.000 0.639 196 A CB -0.930 18.140 19.000 0.116 0.000 0.820 196 A HN 0.559 nan 8.150 nan 0.000 0.451 197 E N -1.911 118.327 120.200 0.062 0.000 2.028 197 E HA -0.184 4.166 4.350 0.001 0.000 0.190 197 E C 1.713 178.328 176.600 0.025 0.000 0.984 197 E CA 1.077 57.500 56.400 0.039 0.000 0.800 197 E CB -0.302 29.438 29.700 0.066 0.000 0.758 197 E HN 0.815 nan 8.360 nan 0.000 0.448 198 W N 1.681 122.927 121.300 -0.091 0.000 2.290 198 W HA -0.349 4.311 4.660 0.000 0.000 0.318 198 W C 2.226 178.629 176.519 -0.194 0.000 1.248 198 W CA 2.631 59.910 57.345 -0.110 0.000 1.263 198 W CB -0.357 29.064 29.460 -0.066 0.000 1.147 198 W HN 0.074 nan 8.180 nan 0.000 0.494 199 A N 0.040 122.790 122.820 -0.117 0.000 1.898 199 A HA -0.189 4.131 4.320 0.001 0.000 0.216 199 A C 2.023 179.405 177.584 -0.337 0.000 1.181 199 A CA 1.931 53.759 52.037 -0.348 0.000 0.620 199 A CB -0.970 17.857 19.000 -0.289 0.000 0.819 199 A HN 0.404 nan 8.150 nan 0.000 0.442 200 K N -0.218 120.057 120.400 -0.208 0.000 2.026 200 K HA -0.205 4.115 4.320 0.001 0.000 0.208 200 K C 1.942 178.424 176.600 -0.196 0.000 1.048 200 K CA 1.741 57.933 56.287 -0.157 0.000 0.929 200 K CB -0.213 32.235 32.500 -0.087 0.000 0.713 200 K HN 0.574 nan 8.250 nan 0.000 0.439 201 E N -0.053 120.011 120.200 -0.226 0.000 2.114 201 E HA -0.219 4.131 4.350 0.001 0.000 0.199 201 E C 1.764 178.192 176.600 -0.286 0.000 1.008 201 E CA 1.578 57.837 56.400 -0.235 0.000 0.810 201 E CB 0.085 29.634 29.700 -0.252 0.000 0.739 201 E HN 0.288 nan 8.360 nan 0.000 0.456 202 R N -1.003 119.246 120.500 -0.419 0.000 2.317 202 R HA 0.124 4.464 4.340 0.001 0.000 0.208 202 R C 0.880 177.000 176.300 -0.299 0.000 0.914 202 R CA 0.538 56.394 56.100 -0.408 0.000 1.060 202 R CB 0.640 30.568 30.300 -0.619 0.000 1.015 202 R HN 0.197 nan 8.270 nan 0.000 0.498 203 G N 2.252 110.903 108.800 -0.249 0.000 2.256 203 G HA2 -0.250 3.710 3.960 0.001 0.000 0.272 203 G HA3 -0.250 3.710 3.960 0.001 0.000 0.272 203 G C -0.079 174.717 174.900 -0.173 0.000 1.076 203 G CA -0.166 44.828 45.100 -0.177 0.000 0.882 203 G HN 0.253 nan 8.290 nan 0.000 0.497 204 I N 0.663 121.110 120.570 -0.205 0.000 2.354 204 I HA 0.298 4.469 4.170 0.001 0.000 0.292 204 I C 0.664 176.719 176.117 -0.104 0.000 0.989 204 I CA -1.000 60.196 61.300 -0.174 0.000 1.188 204 I CB 1.439 39.300 38.000 -0.231 0.000 1.342 204 I HN 0.224 nan 8.210 nan 0.000 0.457 205 H N 7.223 126.200 119.070 -0.154 0.000 2.620 205 H HA 0.379 4.935 4.556 0.001 0.000 0.313 205 H C -0.978 174.255 175.328 -0.159 0.000 1.075 205 H CA -0.512 55.458 56.048 -0.130 0.000 1.397 205 H CB 1.027 30.725 29.762 -0.106 0.000 1.446 205 H HN 0.463 nan 8.280 nan 0.000 0.493 206 L N 4.379 125.235 121.223 -0.611 0.000 2.350 206 L HA 0.277 4.618 4.340 0.001 0.000 0.275 206 L C 0.262 176.621 176.870 -0.852 0.000 1.099 206 L CA -0.054 54.410 54.840 -0.627 0.000 0.808 206 L CB 1.230 43.016 42.059 -0.456 0.000 1.149 206 L HN 0.656 nan 8.230 nan 0.000 0.442 207 E N 2.437 122.135 120.200 -0.837 0.000 2.278 207 E HA 0.456 4.806 4.350 0.001 0.000 0.272 207 E C -1.859 174.228 176.600 -0.855 0.000 0.890 207 E CA -0.561 55.498 56.400 -0.567 0.000 0.770 207 E CB 1.567 31.161 29.700 -0.176 0.000 1.212 207 E HN 0.286 nan 8.360 nan 0.000 0.415 208 F N 1.520 121.333 119.950 -0.229 0.000 2.495 208 F HA 0.372 4.900 4.527 0.000 0.000 0.327 208 F C 0.492 176.198 175.800 -0.157 0.000 1.103 208 F CA -0.758 57.090 58.000 -0.253 0.000 0.949 208 F CB 2.100 41.051 39.000 -0.082 0.000 1.142 208 F HN 0.247 nan 8.300 nan 0.000 0.457 209 S N 0.617 116.352 115.700 0.057 0.000 2.563 209 S HA 0.150 4.621 4.470 0.001 0.000 0.284 209 S C 0.205 174.938 174.600 0.222 0.000 1.331 209 S CA -0.701 57.660 58.200 0.268 0.000 1.047 209 S CB 0.170 63.576 63.200 0.343 0.000 0.859 209 S HN 0.719 nan 8.310 nan 0.000 0.514 210 T N 1.331 116.014 114.554 0.214 0.000 2.906 210 T HA 0.206 4.556 4.350 0.001 0.000 0.320 210 T C -2.497 172.307 174.700 0.172 0.000 1.088 210 T CA -1.273 60.923 62.100 0.160 0.000 1.120 210 T CB -0.569 68.364 68.868 0.109 0.000 1.000 210 T HN 0.369 nan 8.240 nan 0.000 0.550 211 P HA 0.091 nan 4.420 nan 0.000 0.271 211 P C -0.494 176.978 177.300 0.286 0.000 1.216 211 P CA -0.317 62.864 63.100 0.135 0.000 0.776 211 P CB -0.227 31.593 31.700 0.199 0.000 0.881 212 Y N -0.815 119.569 120.300 0.141 0.000 3.078 212 Y HA -0.243 4.307 4.550 0.001 0.000 0.202 212 Y C 0.596 176.621 175.900 0.209 0.000 1.322 212 Y CA 0.976 59.159 58.100 0.138 0.000 1.118 212 Y CB -2.597 35.922 38.460 0.098 0.000 1.343 212 Y HN 0.576 nan 8.280 nan 0.000 0.499 213 H N -0.141 119.028 119.070 0.166 0.000 2.699 213 H HA 0.202 4.758 4.556 0.001 0.000 0.256 213 H C -2.361 173.041 175.328 0.124 0.000 1.376 213 H CA -1.864 54.271 56.048 0.145 0.000 1.549 213 H CB 1.534 31.384 29.762 0.146 0.000 1.686 213 H HN -0.003 nan 8.280 nan 0.000 0.550 214 P HA -0.098 nan 4.420 nan 0.000 0.222 214 P C 1.295 178.530 177.300 -0.109 0.000 1.147 214 P CA 0.823 63.907 63.100 -0.026 0.000 0.790 214 P CB 0.426 32.120 31.700 -0.011 0.000 0.780 215 Q N -0.633 118.976 119.800 -0.319 0.000 2.197 215 Q HA -0.143 4.198 4.340 0.001 0.000 0.207 215 Q C 2.090 178.025 176.000 -0.108 0.000 0.984 215 Q CA 1.942 57.580 55.803 -0.276 0.000 0.869 215 Q CB -0.936 27.543 28.738 -0.431 0.000 0.906 215 Q HN 0.260 nan 8.270 nan 0.000 0.426 216 S N -0.347 115.367 115.700 0.023 0.000 2.406 216 S HA -0.036 4.434 4.470 0.001 0.000 0.228 216 S C 1.511 176.160 174.600 0.081 0.000 1.020 216 S CA 0.895 59.194 58.200 0.164 0.000 0.965 216 S CB 0.050 63.475 63.200 0.376 0.000 0.798 216 S HN 0.203 nan 8.310 nan 0.000 0.488 217 S N 1.324 117.093 115.700 0.116 0.000 2.743 217 S HA 0.223 4.693 4.470 0.001 0.000 0.230 217 S C 1.841 176.366 174.600 -0.125 0.000 0.950 217 S CA 0.103 58.355 58.200 0.088 0.000 0.976 217 S CB -0.135 63.189 63.200 0.207 0.000 0.779 217 S HN 0.620 nan 8.310 nan 0.000 0.487 218 G N 2.605 111.291 108.800 -0.191 0.000 2.469 218 G HA2 -0.254 3.706 3.960 0.001 0.000 0.220 218 G HA3 -0.254 3.706 3.960 0.001 0.000 0.220 218 G C 1.492 176.245 174.900 -0.245 0.000 1.136 218 G CA 0.753 45.740 45.100 -0.188 0.000 0.759 218 G HN 0.423 nan 8.290 nan 0.000 0.562 219 K N -0.168 119.963 120.400 -0.450 0.000 2.002 219 K HA -0.070 4.251 4.320 0.001 0.000 0.209 219 K C 2.705 179.161 176.600 -0.240 0.000 1.048 219 K CA 1.505 57.537 56.287 -0.425 0.000 0.930 219 K CB -0.375 31.683 32.500 -0.737 0.000 0.714 219 K HN 0.295 nan 8.250 nan 0.000 0.438 220 V N 1.768 121.570 119.914 -0.188 0.000 2.295 220 V HA -0.217 3.903 4.120 0.001 0.000 0.246 220 V C 2.182 178.247 176.094 -0.048 0.000 1.049 220 V CA 1.676 63.949 62.300 -0.044 0.000 1.024 220 V CB -0.559 31.291 31.823 0.045 0.000 0.648 220 V HN 0.255 nan 8.190 nan 0.000 0.447 221 E N 0.533 120.703 120.200 -0.051 0.000 2.085 221 E HA -0.263 4.088 4.350 0.001 0.000 0.194 221 E C 2.348 178.918 176.600 -0.049 0.000 0.994 221 E CA 1.557 57.937 56.400 -0.034 0.000 0.801 221 E CB -0.416 29.264 29.700 -0.033 0.000 0.743 221 E HN 0.432 nan 8.360 nan 0.000 0.453 222 R N 1.534 121.991 120.500 -0.072 0.000 2.096 222 R HA -0.114 4.227 4.340 0.001 0.000 0.235 222 R C 2.001 178.263 176.300 -0.065 0.000 1.127 222 R CA 1.602 57.661 56.100 -0.068 0.000 0.968 222 R CB -0.250 30.002 30.300 -0.080 0.000 0.861 222 R HN -0.085 nan 8.270 nan 0.000 0.440 223 K N 0.184 120.542 120.400 -0.071 0.000 2.167 223 K HA 0.050 4.371 4.320 0.001 0.000 0.203 223 K C 1.516 178.077 176.600 -0.065 0.000 1.052 223 K CA 1.148 57.391 56.287 -0.073 0.000 0.956 223 K CB -0.177 32.276 32.500 -0.078 0.000 0.735 223 K HN 0.168 nan 8.250 nan 0.000 0.451 224 N N 0.208 118.878 118.700 -0.049 0.000 2.061 224 N HA -0.201 4.539 4.740 0.001 0.000 0.193 224 N C 1.702 177.181 175.510 -0.052 0.000 1.030 224 N CA 1.556 54.581 53.050 -0.043 0.000 0.856 224 N CB -0.828 37.647 38.487 -0.020 0.000 1.023 224 N HN 0.212 nan 8.380 nan 0.000 0.424 225 S N 0.903 116.574 115.700 -0.048 0.000 2.369 225 S HA -0.182 4.288 4.470 0.001 0.000 0.225 225 S C 1.316 175.884 174.600 -0.054 0.000 1.043 225 S CA 1.696 59.867 58.200 -0.047 0.000 1.074 225 S CB -0.354 62.820 63.200 -0.043 0.000 0.962 225 S HN 0.225 nan 8.310 nan 0.000 0.433 226 D N 1.044 121.409 120.400 -0.059 0.000 2.117 226 D HA -0.046 4.594 4.640 0.001 0.000 0.197 226 D C 1.946 178.204 176.300 -0.069 0.000 0.987 226 D CA 1.201 55.163 54.000 -0.063 0.000 0.829 226 D CB -0.547 40.211 40.800 -0.069 0.000 0.961 226 D HN 0.489 nan 8.370 nan 0.000 0.460 227 I N 0.901 121.424 120.570 -0.079 0.000 2.113 227 I HA -0.328 3.843 4.170 0.001 0.000 0.242 227 I C 2.374 178.443 176.117 -0.080 0.000 1.064 227 I CA 1.405 62.654 61.300 -0.085 0.000 1.320 227 I CB -0.218 37.726 38.000 -0.092 0.000 1.028 227 I HN -0.037 nan 8.210 nan 0.000 0.406 228 K N 0.191 120.543 120.400 -0.081 0.000 2.057 228 K HA -0.200 4.120 4.320 0.001 0.000 0.207 228 K C 2.323 178.888 176.600 -0.059 0.000 1.049 228 K CA 1.312 57.550 56.287 -0.082 0.000 0.931 228 K CB -0.205 32.248 32.500 -0.079 0.000 0.714 228 K HN 0.205 nan 8.250 nan 0.000 0.440 229 R N 0.881 121.351 120.500 -0.051 0.000 2.096 229 R HA -0.145 4.195 4.340 0.001 0.000 0.235 229 R C 2.263 178.541 176.300 -0.035 0.000 1.127 229 R CA 1.066 57.142 56.100 -0.040 0.000 0.968 229 R CB -0.160 30.117 30.300 -0.039 0.000 0.861 229 R HN 0.086 nan 8.270 nan 0.000 0.440 230 L N 0.850 122.048 121.223 -0.041 0.000 2.044 230 L HA -0.052 4.289 4.340 0.001 0.000 0.205 230 L C 1.999 178.856 176.870 -0.022 0.000 1.075 230 L CA 1.492 56.311 54.840 -0.035 0.000 0.747 230 L CB -0.485 41.547 42.059 -0.045 0.000 0.903 230 L HN 0.225 nan 8.230 nan 0.000 0.435 231 L N -0.837 120.372 121.223 -0.023 0.000 2.021 231 L HA -0.322 4.019 4.340 0.001 0.000 0.215 231 L C 2.386 179.263 176.870 0.011 0.000 1.074 231 L CA 2.114 56.955 54.840 0.001 0.000 0.760 231 L CB -1.065 40.985 42.059 -0.016 0.000 0.889 231 L HN 0.324 nan 8.230 nan 0.000 0.433 232 T N -0.576 113.973 114.554 -0.007 0.000 2.635 232 T HA -0.258 4.092 4.350 0.001 0.000 0.267 232 T C 1.883 176.584 174.700 0.003 0.000 1.040 232 T CA 1.581 63.679 62.100 -0.002 0.000 1.156 232 T CB -0.149 68.710 68.868 -0.014 0.000 0.863 232 T HN 0.306 nan 8.240 nan 0.000 0.430 233 K N 0.513 120.910 120.400 -0.004 0.000 2.097 233 K HA 0.059 4.380 4.320 0.001 0.000 0.205 233 K C 2.266 178.868 176.600 0.003 0.000 1.050 233 K CA 0.929 57.214 56.287 -0.004 0.000 0.938 233 K CB -0.291 32.202 32.500 -0.011 0.000 0.718 233 K HN 0.332 nan 8.250 nan 0.000 0.442 234 L N 0.620 121.848 121.223 0.008 0.000 2.156 234 L HA -0.096 4.245 4.340 0.001 0.000 0.208 234 L C 1.993 178.878 176.870 0.025 0.000 1.095 234 L CA 0.747 55.597 54.840 0.016 0.000 0.770 234 L CB -0.210 41.860 42.059 0.019 0.000 0.914 234 L HN 0.135 nan 8.230 nan 0.000 0.439 235 L N -0.346 120.897 121.223 0.033 0.000 2.591 235 L HA 0.066 4.406 4.340 0.001 0.000 0.228 235 L C 0.557 177.445 176.870 0.031 0.000 1.133 235 L CA -0.421 54.445 54.840 0.043 0.000 0.880 235 L CB 0.071 42.168 42.059 0.064 0.000 1.033 235 L HN -0.022 nan 8.230 nan 0.000 0.450 236 V N 0.811 120.737 119.914 0.020 0.000 2.694 236 V HA 0.149 4.270 4.120 0.001 0.000 0.306 236 V C 1.511 177.614 176.094 0.015 0.000 1.054 236 V CA 1.138 63.447 62.300 0.015 0.000 1.161 236 V CB 0.192 32.020 31.823 0.008 0.000 0.916 236 V HN 0.643 nan 8.190 nan 0.000 0.490 237 G N 4.588 113.396 108.800 0.014 0.000 4.039 237 G HA2 -0.312 3.648 3.960 0.001 0.000 0.220 237 G HA3 -0.312 3.648 3.960 0.001 0.000 0.220 237 G C 0.490 175.400 174.900 0.016 0.000 1.391 237 G CA 0.462 45.570 45.100 0.013 0.000 0.920 237 G HN 0.683 nan 8.290 nan 0.000 0.599 238 R N 2.185 122.697 120.500 0.020 0.000 2.827 238 R HA 0.471 4.812 4.340 0.001 0.000 0.269 238 R C -1.989 174.329 176.300 0.030 0.000 1.048 238 R CA -0.519 55.595 56.100 0.024 0.000 1.173 238 R CB 0.055 30.371 30.300 0.027 0.000 1.070 238 R HN 0.320 nan 8.270 nan 0.000 0.498 239 P HA 0.052 nan 4.420 nan 0.000 0.274 239 P C -0.558 176.774 177.300 0.054 0.000 1.237 239 P CA -0.310 62.811 63.100 0.035 0.000 0.793 239 P CB 0.619 32.333 31.700 0.023 0.000 0.977 240 T N -2.009 112.591 114.554 0.078 0.000 4.508 240 T HA 0.150 4.500 4.350 0.001 0.000 0.232 240 T C 0.210 174.997 174.700 0.145 0.000 1.027 240 T CA -0.468 61.717 62.100 0.141 0.000 0.999 240 T CB -1.127 67.854 68.868 0.188 0.000 1.402 240 T HN 0.182 nan 8.240 nan 0.000 1.003 241 K N 2.655 123.100 120.400 0.075 0.000 2.111 241 K HA 0.142 4.463 4.320 0.001 0.000 0.249 241 K C 1.038 177.670 176.600 0.053 0.000 1.157 241 K CA -0.594 55.691 56.287 -0.003 0.000 1.048 241 K CB -0.017 32.481 32.500 -0.004 0.000 1.498 241 K HN 0.759 nan 8.250 nan 0.000 0.344 242 W N 1.832 123.177 121.300 0.075 0.000 2.863 242 W HA -0.062 4.599 4.660 0.001 0.000 0.258 242 W C 0.936 177.494 176.519 0.064 0.000 1.298 242 W CA -0.221 57.156 57.345 0.053 0.000 1.451 242 W CB -0.618 28.864 29.460 0.036 0.000 1.107 242 W HN 0.430 nan 8.180 nan 0.000 0.641 243 Y N 3.322 123.367 120.300 -0.426 0.000 2.097 243 Y HA -0.270 4.281 4.550 0.001 0.000 0.282 243 Y C 2.120 177.958 175.900 -0.103 0.000 1.152 243 Y CA 2.614 60.498 58.100 -0.360 0.000 1.136 243 Y CB -0.642 37.526 38.460 -0.486 0.000 0.975 243 Y HN -0.206 nan 8.280 nan 0.000 0.498 244 D N 0.020 120.453 120.400 0.055 0.000 2.309 244 D HA -0.141 4.500 4.640 0.001 0.000 0.212 244 D C 2.068 178.352 176.300 -0.027 0.000 0.968 244 D CA 1.091 55.097 54.000 0.011 0.000 0.882 244 D CB -0.056 40.780 40.800 0.060 0.000 0.918 244 D HN 0.445 nan 8.370 nan 0.000 0.503 245 L N 0.100 121.331 121.223 0.014 0.000 2.307 245 L HA 0.020 4.361 4.340 0.001 0.000 0.211 245 L C 2.462 179.327 176.870 -0.008 0.000 1.099 245 L CA 0.110 54.964 54.840 0.024 0.000 0.816 245 L CB -0.148 41.956 42.059 0.075 0.000 0.952 245 L HN 0.002 nan 8.230 nan 0.000 0.455 246 L N 0.401 121.616 121.223 -0.014 0.000 1.991 246 L HA -0.254 4.087 4.340 0.001 0.000 0.221 246 L C -0.089 176.723 176.870 -0.098 0.000 1.079 246 L CA 2.074 56.883 54.840 -0.050 0.000 0.778 246 L CB -2.046 39.968 42.059 -0.075 0.000 0.893 246 L HN 0.230 nan 8.230 nan 0.000 0.437 247 P HA -0.170 nan 4.420 nan 0.000 0.214 247 P C 1.891 179.142 177.300 -0.081 0.000 1.169 247 P CA 1.613 64.652 63.100 -0.101 0.000 0.908 247 P CB -0.103 31.546 31.700 -0.085 0.000 0.791 248 V N -0.574 119.304 119.914 -0.060 0.000 2.282 248 V HA -0.254 3.866 4.120 0.001 0.000 0.249 248 V C 2.474 178.529 176.094 -0.065 0.000 1.057 248 V CA 2.176 64.447 62.300 -0.048 0.000 1.032 248 V CB -1.789 30.017 31.823 -0.028 0.000 0.645 248 V HN -0.042 nan 8.190 nan 0.000 0.447 249 V N 0.016 119.890 119.914 -0.066 0.000 2.233 249 V HA -0.408 3.713 4.120 0.001 0.000 0.247 249 V C 2.538 178.555 176.094 -0.128 0.000 1.050 249 V CA 2.624 64.876 62.300 -0.082 0.000 1.010 249 V CB -0.915 30.868 31.823 -0.067 0.000 0.637 249 V HN 0.656 nan 8.190 nan 0.000 0.444 250 Q N -0.428 119.282 119.800 -0.151 0.000 2.047 250 Q HA -0.318 4.022 4.340 0.001 0.000 0.211 250 Q C 2.249 178.099 176.000 -0.250 0.000 1.005 250 Q CA 2.796 58.465 55.803 -0.224 0.000 0.866 250 Q CB -0.395 28.212 28.738 -0.219 0.000 0.938 250 Q HN 0.514 nan 8.270 nan 0.000 0.414 251 L N 0.531 121.652 121.223 -0.170 0.000 2.012 251 L HA -0.134 4.206 4.340 0.001 0.000 0.210 251 L C 2.301 179.087 176.870 -0.140 0.000 1.073 251 L CA 2.437 57.195 54.840 -0.135 0.000 0.748 251 L CB -1.092 40.926 42.059 -0.068 0.000 0.891 251 L HN 0.357 nan 8.230 nan 0.000 0.431 252 A N -0.735 122.015 122.820 -0.116 0.000 1.908 252 A HA -0.181 4.139 4.320 0.001 0.000 0.218 252 A C 2.294 179.802 177.584 -0.127 0.000 1.181 252 A CA 2.101 54.079 52.037 -0.098 0.000 0.627 252 A CB -0.856 18.099 19.000 -0.074 0.000 0.818 252 A HN 0.516 nan 8.150 nan 0.000 0.445 253 L N -0.532 120.591 121.223 -0.166 0.000 2.072 253 L HA -0.122 4.219 4.340 0.001 0.000 0.205 253 L C 1.986 178.709 176.870 -0.246 0.000 1.079 253 L CA 0.907 55.636 54.840 -0.186 0.000 0.752 253 L CB -0.532 41.409 42.059 -0.196 0.000 0.906 253 L HN 0.351 nan 8.230 nan 0.000 0.436 254 N N 0.149 118.635 118.700 -0.357 0.000 2.453 254 N HA -0.125 4.616 4.740 0.001 0.000 0.183 254 N C 0.879 176.254 175.510 -0.224 0.000 1.041 254 N CA 0.856 53.615 53.050 -0.484 0.000 0.900 254 N CB -0.177 37.749 38.487 -0.934 0.000 0.961 254 N HN 0.343 nan 8.380 nan 0.000 0.443 255 N N 0.054 118.649 118.700 -0.175 0.000 2.275 255 N HA 0.073 4.813 4.740 0.001 0.000 0.236 255 N C -0.618 174.792 175.510 -0.167 0.000 1.154 255 N CA 0.148 53.109 53.050 -0.150 0.000 0.866 255 N CB 0.849 39.251 38.487 -0.141 0.000 1.093 255 N HN -0.032 nan 8.380 nan 0.000 0.515 256 T N 0.561 115.024 114.554 -0.151 0.000 2.794 256 T HA 0.311 4.661 4.350 0.001 0.000 0.280 256 T C -0.167 174.479 174.700 -0.091 0.000 0.987 256 T CA -0.282 61.760 62.100 -0.097 0.000 0.993 256 T CB 0.927 69.756 68.868 -0.065 0.000 0.939 256 T HN -0.002 nan 8.240 nan 0.000 0.449 257 Y N 1.845 122.125 120.300 -0.033 0.000 2.511 257 Y HA 0.194 4.745 4.550 0.001 0.000 0.332 257 Y C 1.291 177.172 175.900 -0.031 0.000 1.177 257 Y CA 0.154 58.239 58.100 -0.024 0.000 1.422 257 Y CB 0.615 39.044 38.460 -0.051 0.000 1.271 257 Y HN 0.499 nan 8.280 nan 0.000 0.550 258 S N 5.571 121.355 115.700 0.140 0.000 2.416 258 S HA 0.228 4.698 4.470 0.001 0.000 0.287 258 S C -1.760 172.878 174.600 0.063 0.000 1.139 258 S CA -1.620 56.627 58.200 0.078 0.000 1.058 258 S CB 0.615 63.856 63.200 0.069 0.000 0.967 258 S HN 0.422 nan 8.310 nan 0.000 0.495 259 P HA -0.119 nan 4.420 nan 0.000 0.220 259 P C 1.152 178.412 177.300 -0.067 0.000 1.144 259 P CA 0.751 63.826 63.100 -0.041 0.000 0.800 259 P CB 0.074 31.738 31.700 -0.059 0.000 0.772 260 V N -1.635 118.244 119.914 -0.057 0.000 2.535 260 V HA -0.111 4.010 4.120 0.001 0.000 0.246 260 V C 2.227 178.306 176.094 -0.025 0.000 1.045 260 V CA 1.371 63.606 62.300 -0.108 0.000 1.058 260 V CB -0.985 30.759 31.823 -0.131 0.000 0.689 260 V HN 0.079 nan 8.190 nan 0.000 0.461 261 L N -0.891 120.369 121.223 0.062 0.000 2.249 261 L HA 0.164 4.504 4.340 0.001 0.000 0.207 261 L C 1.076 177.983 176.870 0.061 0.000 1.090 261 L CA 0.389 55.326 54.840 0.162 0.000 0.802 261 L CB -0.340 41.860 42.059 0.235 0.000 0.947 261 L HN 0.235 nan 8.230 nan 0.000 0.453 262 K N -0.315 120.070 120.400 -0.025 0.000 3.117 262 K HA -0.207 4.113 4.320 0.001 0.000 0.269 262 K C -1.368 175.019 176.600 -0.354 0.000 1.098 262 K CA 0.651 56.828 56.287 -0.184 0.000 0.785 262 K CB -1.893 30.414 32.500 -0.323 0.000 1.242 262 K HN 0.236 nan 8.250 nan 0.000 0.491 263 Y N -1.004 119.472 120.300 0.294 0.000 2.581 263 Y HA 0.227 4.778 4.550 0.001 0.000 0.337 263 Y C 0.622 176.482 175.900 -0.067 0.000 1.108 263 Y CA -0.794 57.387 58.100 0.136 0.000 1.033 263 Y CB 1.558 40.070 38.460 0.087 0.000 1.318 263 Y HN 0.125 nan 8.280 nan 0.000 0.459 264 T N -0.956 113.538 114.554 -0.099 0.000 2.922 264 T HA 0.339 4.689 4.350 0.001 0.000 0.285 264 T C -2.198 172.511 174.700 0.014 0.000 1.005 264 T CA -2.188 59.822 62.100 -0.150 0.000 1.061 264 T CB 1.816 70.506 68.868 -0.297 0.000 1.007 264 T HN 0.280 nan 8.240 nan 0.000 0.502 265 P HA -0.231 nan 4.420 nan 0.000 0.215 265 P C 1.454 178.863 177.300 0.181 0.000 1.157 265 P CA 1.401 64.528 63.100 0.045 0.000 0.874 265 P CB -0.261 31.397 31.700 -0.071 0.000 0.790 266 H N 0.624 119.787 119.070 0.155 0.000 2.289 266 H HA -0.180 4.376 4.556 0.001 0.000 0.296 266 H C 1.935 177.368 175.328 0.174 0.000 1.091 266 H CA 2.178 58.424 56.048 0.331 0.000 1.274 266 H CB -0.505 29.440 29.762 0.305 0.000 1.364 266 H HN 0.123 nan 8.280 nan 0.000 0.490 267 Q N 0.073 120.071 119.800 0.329 0.000 2.061 267 Q HA -0.131 4.210 4.340 0.001 0.000 0.204 267 Q C 2.913 178.928 176.000 0.026 0.000 0.984 267 Q CA 1.847 57.778 55.803 0.213 0.000 0.846 267 Q CB -0.041 28.805 28.738 0.180 0.000 0.902 267 Q HN 0.458 nan 8.270 nan 0.000 0.421 268 L N -0.122 121.080 121.223 -0.034 0.000 2.083 268 L HA -0.195 4.145 4.340 0.001 0.000 0.209 268 L C 2.286 179.050 176.870 -0.178 0.000 1.083 268 L CA 0.462 55.231 54.840 -0.118 0.000 0.752 268 L CB -0.428 41.582 42.059 -0.081 0.000 0.899 268 L HN 0.292 nan 8.230 nan 0.000 0.433 269 L N -0.775 120.273 121.223 -0.293 0.000 2.044 269 L HA -0.079 4.261 4.340 0.001 0.000 0.205 269 L C 1.952 178.440 176.870 -0.637 0.000 1.075 269 L CA 1.911 56.379 54.840 -0.621 0.000 0.747 269 L CB -0.388 40.981 42.059 -1.149 0.000 0.903 269 L HN 0.053 nan 8.230 nan 0.000 0.435 270 F N -1.476 118.355 119.950 -0.198 0.000 2.694 270 F HA 0.364 4.891 4.527 0.000 0.000 0.292 270 F C 1.913 177.686 175.800 -0.045 0.000 1.121 270 F CA 0.412 58.322 58.000 -0.149 0.000 1.352 270 F CB 0.010 38.854 39.000 -0.260 0.000 1.107 270 F HN 0.138 nan 8.300 nan 0.000 0.597 271 G N 1.707 110.586 108.800 0.131 0.000 2.205 271 G HA2 -0.317 3.643 3.960 0.001 0.000 0.261 271 G HA3 -0.317 3.643 3.960 0.001 0.000 0.261 271 G C 0.078 175.061 174.900 0.139 0.000 0.980 271 G CA 0.491 45.647 45.100 0.093 0.000 0.632 271 G HN 0.431 nan 8.290 nan 0.000 0.533 272 I N -3.346 117.350 120.570 0.211 0.000 2.894 272 I HA 0.766 4.936 4.170 0.001 0.000 0.302 272 I C -0.964 175.337 176.117 0.308 0.000 1.188 272 I CA -1.716 59.705 61.300 0.202 0.000 1.014 272 I CB 1.639 39.722 38.000 0.139 0.000 1.242 272 I HN -0.166 nan 8.210 nan 0.000 0.430 273 D N 2.897 123.413 120.400 0.193 0.000 2.382 273 D HA 0.312 4.953 4.640 0.001 0.000 0.245 273 D C 0.424 176.755 176.300 0.052 0.000 1.120 273 D CA 0.262 54.303 54.000 0.068 0.000 0.890 273 D CB 1.480 42.280 40.800 0.000 0.000 1.201 273 D HN 0.816 nan 8.370 nan 0.000 0.433 274 S N 2.095 117.754 115.700 -0.069 0.000 2.562 274 S HA -0.003 4.467 4.470 0.001 0.000 0.256 274 S C 0.631 175.205 174.600 -0.044 0.000 1.248 274 S CA -0.608 57.579 58.200 -0.021 0.000 0.988 274 S CB 0.159 63.361 63.200 0.003 0.000 1.035 274 S HN 0.432 nan 8.310 nan 0.000 0.548 275 N N 1.951 120.631 118.700 -0.032 0.000 3.245 275 N HA 0.221 4.961 4.740 0.001 0.000 0.296 275 N C -0.415 175.074 175.510 -0.035 0.000 1.254 275 N CA -0.210 52.823 53.050 -0.029 0.000 1.190 275 N CB -0.839 37.636 38.487 -0.020 0.000 1.460 275 N HN 0.728 nan 8.380 nan 0.000 0.538 276 T N -1.254 113.272 114.554 -0.048 0.000 2.949 276 T HA 0.621 4.971 4.350 0.001 0.000 0.287 276 T C -2.532 172.164 174.700 -0.007 0.000 1.034 276 T CA -1.997 60.083 62.100 -0.034 0.000 1.018 276 T CB 0.982 69.812 68.868 -0.062 0.000 1.135 276 T HN 0.032 nan 8.240 nan 0.000 0.532 277 P HA 0.284 nan 4.420 nan 0.000 0.269 277 P C -0.255 177.167 177.300 0.203 0.000 1.209 277 P CA -0.118 63.016 63.100 0.057 0.000 0.776 277 P CB -0.297 31.508 31.700 0.176 0.000 0.876 278 F N -1.517 118.435 119.950 0.003 0.000 3.079 278 F HA -0.252 4.276 4.527 0.001 0.000 0.274 278 F C 0.871 176.690 175.800 0.031 0.000 0.940 278 F CA 0.381 58.394 58.000 0.021 0.000 0.932 278 F CB -2.108 36.912 39.000 0.034 0.000 0.891 278 F HN 0.274 nan 8.300 nan 0.000 0.722 279 A N 0.852 123.735 122.820 0.105 0.000 2.492 279 A HA 0.246 4.566 4.320 0.001 0.000 0.254 279 A C 0.709 178.348 177.584 0.092 0.000 1.091 279 A CA -0.262 51.819 52.037 0.073 0.000 0.768 279 A CB 0.199 19.209 19.000 0.016 0.000 1.028 279 A HN 0.434 nan 8.150 nan 0.000 0.498 280 N N 1.878 120.648 118.700 0.117 0.000 2.513 280 N HA 0.043 4.784 4.740 0.001 0.000 0.268 280 N C 0.183 175.752 175.510 0.099 0.000 1.180 280 N CA 0.336 53.465 53.050 0.132 0.000 0.948 280 N CB 0.746 39.343 38.487 0.182 0.000 1.083 280 N HN 0.721 nan 8.380 nan 0.000 0.455 281 Q N 1.389 121.240 119.800 0.085 0.000 2.159 281 Q HA 0.102 4.442 4.340 0.001 0.000 0.217 281 Q C -0.066 175.973 176.000 0.064 0.000 0.818 281 Q CA -0.351 55.491 55.803 0.064 0.000 1.008 281 Q CB 0.655 29.421 28.738 0.046 0.000 1.148 281 Q HN 0.571 nan 8.270 nan 0.000 0.491 282 D N 0.557 121.005 120.400 0.079 0.000 2.221 282 D HA -0.119 4.521 4.640 0.001 0.000 0.204 282 D C 1.296 177.636 176.300 0.068 0.000 0.982 282 D CA 1.516 55.560 54.000 0.074 0.000 0.857 282 D CB 0.060 40.914 40.800 0.090 0.000 0.934 282 D HN 0.289 nan 8.370 nan 0.000 0.475 283 T N -1.902 112.695 114.554 0.072 0.000 3.269 283 T HA 0.242 4.593 4.350 0.001 0.000 0.269 283 T C 1.291 176.023 174.700 0.052 0.000 0.993 283 T CA -0.372 61.767 62.100 0.064 0.000 0.909 283 T CB -0.115 68.797 68.868 0.074 0.000 1.115 283 T HN -0.124 nan 8.240 nan 0.000 0.543 284 L N 0.931 122.182 121.223 0.046 0.000 2.313 284 L HA 0.202 4.543 4.340 0.001 0.000 0.214 284 L C 1.505 178.393 176.870 0.031 0.000 1.119 284 L CA 1.431 56.294 54.840 0.037 0.000 0.809 284 L CB -0.015 42.063 42.059 0.033 0.000 0.933 284 L HN 0.238 nan 8.230 nan 0.000 0.449 285 D N -1.142 119.276 120.400 0.030 0.000 2.367 285 D HA 0.156 4.796 4.640 0.001 0.000 0.207 285 D C 0.618 176.934 176.300 0.025 0.000 1.034 285 D CA 0.181 54.197 54.000 0.025 0.000 0.861 285 D CB 0.364 41.178 40.800 0.023 0.000 0.943 285 D HN 0.213 nan 8.370 nan 0.000 0.515 286 L N 1.712 122.953 121.223 0.030 0.000 2.397 286 L HA 0.162 4.502 4.340 0.001 0.000 0.271 286 L C 1.100 177.986 176.870 0.027 0.000 1.148 286 L CA -0.445 54.412 54.840 0.029 0.000 0.825 286 L CB 0.661 42.740 42.059 0.034 0.000 1.117 286 L HN -0.073 nan 8.230 nan 0.000 0.456 287 T N -1.074 113.493 114.554 0.023 0.000 2.855 287 T HA 0.019 4.369 4.350 0.001 0.000 0.314 287 T C 1.079 175.794 174.700 0.024 0.000 1.077 287 T CA -0.619 61.493 62.100 0.021 0.000 1.095 287 T CB 0.921 69.800 68.868 0.017 0.000 0.987 287 T HN 0.587 nan 8.240 nan 0.000 0.546 288 R N 0.966 121.480 120.500 0.024 0.000 2.133 288 R HA -0.167 4.174 4.340 0.001 0.000 0.247 288 R C 2.207 178.523 176.300 0.026 0.000 1.151 288 R CA 2.024 58.141 56.100 0.028 0.000 0.971 288 R CB -0.850 29.465 30.300 0.026 0.000 0.866 288 R HN 0.870 nan 8.270 nan 0.000 0.447 289 E N -0.031 120.181 120.200 0.021 0.000 2.047 289 E HA -0.195 4.156 4.350 0.001 0.000 0.191 289 E C 1.947 178.558 176.600 0.019 0.000 0.987 289 E CA 1.574 57.985 56.400 0.018 0.000 0.799 289 E CB -0.072 29.636 29.700 0.014 0.000 0.752 289 E HN 0.534 nan 8.360 nan 0.000 0.449 290 E N 0.802 121.015 120.200 0.020 0.000 2.038 290 E HA -0.221 4.129 4.350 0.001 0.000 0.195 290 E C 2.075 178.690 176.600 0.025 0.000 1.000 290 E CA 1.148 57.561 56.400 0.022 0.000 0.803 290 E CB -0.068 29.646 29.700 0.023 0.000 0.750 290 E HN 0.223 nan 8.360 nan 0.000 0.448 291 E N 0.687 120.905 120.200 0.030 0.000 2.065 291 E HA -0.238 4.112 4.350 0.001 0.000 0.201 291 E C 2.047 178.665 176.600 0.029 0.000 1.016 291 E CA 1.091 57.512 56.400 0.035 0.000 0.818 291 E CB -0.098 29.628 29.700 0.043 0.000 0.749 291 E HN 0.212 nan 8.360 nan 0.000 0.453 292 L N 0.427 121.666 121.223 0.027 0.000 2.191 292 L HA -0.155 4.185 4.340 0.001 0.000 0.212 292 L C 2.526 179.403 176.870 0.011 0.000 1.103 292 L CA 1.360 56.213 54.840 0.021 0.000 0.769 292 L CB -0.272 41.800 42.059 0.023 0.000 0.908 292 L HN 0.287 nan 8.230 nan 0.000 0.438 293 S N -0.924 114.784 115.700 0.012 0.000 2.456 293 S HA -0.098 4.372 4.470 0.001 0.000 0.224 293 S C 1.808 176.413 174.600 0.008 0.000 1.035 293 S CA 0.047 58.252 58.200 0.008 0.000 0.940 293 S CB -0.386 62.820 63.200 0.010 0.000 0.799 293 S HN 0.278 nan 8.310 nan 0.000 0.508 294 L N 0.922 122.153 121.223 0.014 0.000 2.127 294 L HA 0.062 4.402 4.340 0.001 0.000 0.211 294 L C 2.217 179.086 176.870 -0.003 0.000 1.089 294 L CA 1.192 56.042 54.840 0.017 0.000 0.757 294 L CB -0.511 41.567 42.059 0.031 0.000 0.899 294 L HN 0.361 nan 8.230 nan 0.000 0.434 295 L N -0.634 120.581 121.223 -0.013 0.000 2.005 295 L HA -0.235 4.105 4.340 0.001 0.000 0.207 295 L C 2.493 179.332 176.870 -0.051 0.000 1.072 295 L CA 1.818 56.629 54.840 -0.048 0.000 0.744 295 L CB -0.647 41.392 42.059 -0.034 0.000 0.895 295 L HN 0.358 nan 8.230 nan 0.000 0.433 296 Q N -0.855 118.929 119.800 -0.027 0.000 2.135 296 Q HA -0.291 4.050 4.340 0.001 0.000 0.204 296 Q C 2.076 178.064 176.000 -0.020 0.000 0.981 296 Q CA 1.840 57.630 55.803 -0.023 0.000 0.856 296 Q CB -0.163 28.569 28.738 -0.011 0.000 0.902 296 Q HN 0.564 nan 8.270 nan 0.000 0.425 297 E N 1.048 121.241 120.200 -0.012 0.000 2.051 297 E HA -0.178 4.172 4.350 0.001 0.000 0.192 297 E C 1.619 178.216 176.600 -0.004 0.000 0.991 297 E CA 1.289 57.690 56.400 -0.000 0.000 0.799 297 E CB -0.292 29.416 29.700 0.013 0.000 0.748 297 E HN 0.378 nan 8.360 nan 0.000 0.449 298 I N 0.141 120.691 120.570 -0.034 0.000 2.226 298 I HA -0.266 3.904 4.170 0.001 0.000 0.245 298 I C 2.603 178.674 176.117 -0.076 0.000 1.100 298 I CA 1.397 62.651 61.300 -0.077 0.000 1.374 298 I CB -0.218 37.621 38.000 -0.267 0.000 1.057 298 I HN 0.083 nan 8.210 nan 0.000 0.413 299 R N -0.009 120.442 120.500 -0.082 0.000 2.148 299 R HA -0.124 4.217 4.340 0.001 0.000 0.227 299 R C 2.220 178.505 176.300 -0.025 0.000 1.103 299 R CA 1.879 57.942 56.100 -0.062 0.000 0.983 299 R CB -0.380 29.884 30.300 -0.061 0.000 0.874 299 R HN 0.513 nan 8.270 nan 0.000 0.451 300 T N -2.703 111.842 114.554 -0.015 0.000 3.057 300 T HA -0.005 4.346 4.350 0.001 0.000 0.254 300 T C 1.711 176.418 174.700 0.012 0.000 1.094 300 T CA 0.690 62.786 62.100 -0.008 0.000 1.088 300 T CB 0.224 69.087 68.868 -0.009 0.000 0.934 300 T HN 0.157 nan 8.240 nan 0.000 0.497 301 S N 0.811 116.530 115.700 0.032 0.000 2.575 301 S HA 0.314 4.785 4.470 0.001 0.000 0.215 301 S C 0.679 175.338 174.600 0.098 0.000 0.966 301 S CA -0.693 57.544 58.200 0.062 0.000 0.911 301 S CB -0.832 62.414 63.200 0.077 0.000 0.780 301 S HN 0.512 nan 8.310 nan 0.000 0.514 302 L N 2.430 123.710 121.223 0.095 0.000 2.485 302 L HA 0.147 4.488 4.340 0.001 0.000 0.275 302 L C 0.618 177.589 176.870 0.167 0.000 1.207 302 L CA -0.571 54.359 54.840 0.149 0.000 0.855 302 L CB 0.025 42.157 42.059 0.122 0.000 1.114 302 L HN 0.407 nan 8.230 nan 0.000 0.485 303 Y N 2.989 123.351 120.300 0.104 0.000 2.802 303 Y HA -0.063 4.487 4.550 0.001 0.000 0.333 303 Y C -0.122 175.861 175.900 0.138 0.000 1.244 303 Y CA 0.088 58.245 58.100 0.096 0.000 1.558 303 Y CB -0.043 38.456 38.460 0.065 0.000 1.233 303 Y HN 0.416 nan 8.280 nan 0.000 0.547 304 H N 8.324 126.955 119.070 -0.730 0.000 2.646 304 H HA 0.463 5.019 4.556 0.001 0.000 0.328 304 H C -2.572 172.246 175.328 -0.850 0.000 0.998 304 H CA -2.597 53.056 56.048 -0.659 0.000 1.225 304 H CB 0.994 30.591 29.762 -0.275 0.000 1.457 304 H HN 0.540 nan 8.280 nan 0.000 0.505 305 P HA 0.124 nan 4.420 nan 0.000 0.271 305 P C -0.611 176.348 177.300 -0.569 0.000 1.218 305 P CA -0.333 62.365 63.100 -0.670 0.000 0.780 305 P CB 1.207 32.718 31.700 -0.316 0.000 0.901 306 S N 0.367 115.908 115.700 -0.265 0.000 2.747 306 S HA 0.536 5.006 4.470 0.001 0.000 0.300 306 S C 0.166 174.704 174.600 -0.102 0.000 1.121 306 S CA -0.623 57.474 58.200 -0.172 0.000 0.995 306 S CB 0.540 63.687 63.200 -0.089 0.000 1.113 306 S HN 0.644 nan 8.310 nan 0.000 0.547 307 T N 0.090 114.605 114.554 -0.064 0.000 2.919 307 T HA 0.499 4.849 4.350 0.001 0.000 0.302 307 T C -2.186 172.499 174.700 -0.025 0.000 1.031 307 T CA -1.120 60.956 62.100 -0.040 0.000 1.127 307 T CB -0.161 68.691 68.868 -0.026 0.000 0.952 307 T HN 0.615 nan 8.240 nan 0.000 0.540 308 P HA 0.372 nan 4.420 nan 0.000 0.276 308 P C -2.546 174.751 177.300 -0.006 0.000 1.252 308 P CA -1.700 61.395 63.100 -0.008 0.000 0.802 308 P CB -0.516 31.182 31.700 -0.004 0.000 1.035 309 P HA 0.098 nan 4.420 nan 0.000 0.269 309 P C -0.367 176.933 177.300 0.001 0.000 1.209 309 P CA -0.024 63.077 63.100 0.000 0.000 0.776 309 P CB 0.231 31.933 31.700 0.004 0.000 0.876 310 A N 2.962 125.782 122.820 0.000 0.000 2.462 310 A HA 0.354 4.674 4.320 0.001 0.000 0.243 310 A C 0.959 178.550 177.584 0.012 0.000 1.076 310 A CA -0.136 51.901 52.037 0.001 0.000 0.773 310 A CB -0.437 18.561 19.000 -0.003 0.000 1.010 310 A HN 0.658 nan 8.150 nan 0.000 0.493 311 S N 2.206 117.917 115.700 0.018 0.000 2.600 311 S HA 0.168 4.638 4.470 0.001 0.000 0.265 311 S C 1.212 175.831 174.600 0.031 0.000 1.325 311 S CA 0.074 58.290 58.200 0.027 0.000 1.002 311 S CB 0.713 63.934 63.200 0.035 0.000 0.921 311 S HN 0.822 nan 8.310 nan 0.000 0.554 312 S N 1.557 117.276 115.700 0.031 0.000 2.380 312 S HA -0.137 4.333 4.470 0.001 0.000 0.229 312 S C 1.051 175.675 174.600 0.040 0.000 1.043 312 S CA 1.337 59.555 58.200 0.031 0.000 1.038 312 S CB -0.465 62.752 63.200 0.027 0.000 0.872 312 S HN 0.757 nan 8.310 nan 0.000 0.456 313 R N 1.794 122.325 120.500 0.051 0.000 2.983 313 R HA 0.279 4.620 4.340 0.001 0.000 0.300 313 R C -0.571 175.792 176.300 0.105 0.000 1.367 313 R CA -0.178 55.962 56.100 0.067 0.000 1.564 313 R CB 0.817 31.150 30.300 0.054 0.000 1.314 313 R HN 0.375 nan 8.270 nan 0.000 0.622 314 S N 0.157 115.919 115.700 0.104 0.000 2.713 314 S HA 0.594 5.064 4.470 0.001 0.000 0.283 314 S C -0.268 174.461 174.600 0.216 0.000 1.161 314 S CA -0.838 57.443 58.200 0.134 0.000 0.999 314 S CB 1.422 64.648 63.200 0.042 0.000 1.039 314 S HN 0.491 nan 8.310 nan 0.000 0.548 315 W N -0.746 120.557 121.300 0.006 0.000 3.031 315 W HA 0.791 5.451 4.660 0.001 0.000 0.337 315 W C -1.555 174.969 176.519 0.008 0.000 1.187 315 W CA -1.078 56.267 57.345 0.001 0.000 1.166 315 W CB 0.830 30.284 29.460 -0.009 0.000 1.437 315 W HN 0.598 nan 8.180 nan 0.000 0.551 316 S N 2.055 117.762 115.700 0.011 0.000 2.549 316 S HA 0.600 5.070 4.470 0.001 0.000 0.280 316 S C -2.736 171.867 174.600 0.005 0.000 1.109 316 S CA -1.000 57.058 58.200 -0.236 0.000 0.905 316 S CB 2.484 65.601 63.200 -0.138 0.000 1.081 316 S HN 0.234 nan 8.310 nan 0.000 0.477 317 P HA 0.353 nan 4.420 nan 0.000 0.282 317 P C -1.014 176.347 177.300 0.101 0.000 1.274 317 P CA -0.332 62.846 63.100 0.130 0.000 0.770 317 P CB 0.546 32.272 31.700 0.043 0.000 0.867 318 V N 4.605 124.603 119.914 0.140 0.000 2.617 318 V HA 0.153 4.273 4.120 0.001 0.000 0.298 318 V C 0.511 176.653 176.094 0.080 0.000 1.048 318 V CA -0.856 61.497 62.300 0.088 0.000 0.964 318 V CB 1.999 33.872 31.823 0.083 0.000 1.004 318 V HN 0.282 nan 8.190 nan 0.000 0.466 319 V N 4.100 124.048 119.914 0.056 0.000 2.529 319 V HA 0.437 4.557 4.120 0.001 0.000 0.292 319 V C 1.365 177.486 176.094 0.045 0.000 1.028 319 V CA 1.262 63.592 62.300 0.049 0.000 1.074 319 V CB -0.085 31.760 31.823 0.037 0.000 0.958 319 V HN 1.305 nan 8.190 nan 0.000 0.481 320 G N 3.130 111.958 108.800 0.046 0.000 2.176 320 G HA2 -0.239 3.722 3.960 0.001 0.000 0.232 320 G HA3 -0.239 3.722 3.960 0.001 0.000 0.232 320 G C 0.255 175.177 174.900 0.036 0.000 0.986 320 G CA 0.272 45.395 45.100 0.037 0.000 0.643 320 G HN 0.734 nan 8.290 nan 0.000 0.522 321 Q N -0.079 119.751 119.800 0.050 0.000 2.364 321 Q HA 0.519 4.859 4.340 0.001 0.000 0.267 321 Q C 0.130 176.146 176.000 0.026 0.000 0.999 321 Q CA -0.368 55.461 55.803 0.043 0.000 0.886 321 Q CB 0.388 29.177 28.738 0.085 0.000 1.243 321 Q HN 0.330 nan 8.270 nan 0.000 0.415 322 L N 3.615 124.832 121.223 -0.009 0.000 2.349 322 L HA 0.376 4.716 4.340 0.001 0.000 0.275 322 L C -0.691 176.139 176.870 -0.066 0.000 1.115 322 L CA 0.180 55.004 54.840 -0.025 0.000 0.820 322 L CB 1.521 43.558 42.059 -0.037 0.000 1.135 322 L HN 0.404 nan 8.230 nan 0.000 0.445 323 V N 3.077 122.968 119.914 -0.038 0.000 3.048 323 V HA 0.439 4.560 4.120 0.001 0.000 0.303 323 V C -1.031 175.068 176.094 0.008 0.000 1.214 323 V CA -0.735 61.539 62.300 -0.042 0.000 0.984 323 V CB 2.476 34.333 31.823 0.056 0.000 1.054 323 V HN 0.744 nan 8.190 nan 0.000 0.430 324 Q N 2.066 121.870 119.800 0.007 0.000 2.323 324 Q HA 0.513 4.854 4.340 0.001 0.000 0.271 324 Q C -0.984 175.218 176.000 0.337 0.000 1.048 324 Q CA -0.567 55.313 55.803 0.128 0.000 0.792 324 Q CB 3.173 31.937 28.738 0.042 0.000 1.280 324 Q HN 0.740 nan 8.270 nan 0.000 0.441 325 E N 2.105 122.528 120.200 0.370 0.000 2.283 325 E HA 0.183 4.533 4.350 0.001 0.000 0.278 325 E C -0.705 176.129 176.600 0.389 0.000 1.027 325 E CA -0.581 56.051 56.400 0.387 0.000 0.843 325 E CB 0.980 30.863 29.700 0.306 0.000 1.062 325 E HN 0.372 nan 8.360 nan 0.000 0.401 326 R N 3.318 123.890 120.500 0.119 0.000 2.489 326 R HA 0.074 4.414 4.340 0.001 0.000 0.287 326 R C -0.787 175.324 176.300 -0.314 0.000 1.053 326 R CA -0.435 55.401 56.100 -0.439 0.000 1.036 326 R CB 0.513 30.414 30.300 -0.664 0.000 0.966 326 R HN 0.307 nan 8.270 nan 0.000 0.432 327 V N 6.047 125.626 119.914 -0.559 0.000 2.509 327 V HA -0.080 4.040 4.120 0.001 0.000 0.297 327 V C 1.496 177.355 176.094 -0.392 0.000 1.014 327 V CA 0.867 62.822 62.300 -0.575 0.000 1.127 327 V CB 0.320 31.786 31.823 -0.595 0.000 0.925 327 V HN 1.094 nan 8.190 nan 0.000 0.480 328 A N 5.506 128.139 122.820 -0.310 0.000 1.828 328 A HA 0.035 4.356 4.320 0.001 0.000 0.215 328 A C 1.764 179.121 177.584 -0.379 0.000 1.203 328 A CA 1.774 53.500 52.037 -0.518 0.000 0.614 328 A CB -0.298 18.320 19.000 -0.637 0.000 0.844 328 A HN 1.051 nan 8.150 nan 0.000 0.445 329 R N 0.891 121.256 120.500 -0.224 0.000 2.790 329 R HA 0.548 4.889 4.340 0.001 0.000 0.274 329 R C -2.846 173.382 176.300 -0.119 0.000 1.334 329 R CA -1.475 54.544 56.100 -0.134 0.000 1.543 329 R CB -1.189 29.080 30.300 -0.053 0.000 1.154 329 R HN 0.528 nan 8.270 nan 0.000 0.601 330 P HA 0.371 nan 4.420 nan 0.000 0.276 330 P C -0.098 177.143 177.300 -0.098 0.000 1.243 330 P CA -0.275 62.736 63.100 -0.149 0.000 0.768 330 P CB 1.602 33.189 31.700 -0.189 0.000 0.856 331 A N 3.130 125.903 122.820 -0.079 0.000 2.425 331 A HA 0.267 4.588 4.320 0.001 0.000 0.242 331 A C 0.771 178.324 177.584 -0.052 0.000 1.077 331 A CA -0.247 51.758 52.037 -0.054 0.000 0.781 331 A CB -0.208 18.768 19.000 -0.041 0.000 1.020 331 A HN 0.552 nan 8.150 nan 0.000 0.494 332 S N 0.769 116.445 115.700 -0.039 0.000 2.629 332 S HA 0.197 4.667 4.470 0.001 0.000 0.302 332 S C 0.706 175.286 174.600 -0.033 0.000 1.244 332 S CA 0.776 58.956 58.200 -0.033 0.000 1.098 332 S CB -1.016 62.169 63.200 -0.024 0.000 0.858 332 S HN 1.279 nan 8.310 nan 0.000 0.502 333 L N 1.784 122.986 121.223 -0.035 0.000 4.793 333 L HA -0.183 4.157 4.340 0.001 0.000 0.404 333 L C 0.488 177.336 176.870 -0.037 0.000 1.022 333 L CA 0.597 55.418 54.840 -0.031 0.000 1.242 333 L CB -1.095 40.949 42.059 -0.024 0.000 2.049 333 L HN 0.667 nan 8.230 nan 0.000 0.637 334 R N 0.093 120.564 120.500 -0.047 0.000 2.787 334 R HA 0.598 4.938 4.340 0.001 0.000 0.271 334 R C -2.259 174.001 176.300 -0.067 0.000 0.993 334 R CA -1.788 54.280 56.100 -0.053 0.000 0.993 334 R CB 0.749 31.016 30.300 -0.056 0.000 1.155 334 R HN -0.247 nan 8.270 nan 0.000 0.486 335 P HA 0.038 nan 4.420 nan 0.000 0.265 335 P C 0.169 177.400 177.300 -0.114 0.000 1.193 335 P CA 0.001 63.074 63.100 -0.045 0.000 0.765 335 P CB 0.584 32.271 31.700 -0.022 0.000 0.823 336 R N 1.053 121.490 120.500 -0.104 0.000 2.313 336 R HA 0.074 4.414 4.340 0.001 0.000 0.199 336 R C -0.415 175.452 176.300 -0.721 0.000 0.958 336 R CA 0.524 56.409 56.100 -0.357 0.000 1.047 336 R CB -0.163 29.940 30.300 -0.329 0.000 0.955 336 R HN 0.572 nan 8.270 nan 0.000 0.481 337 W N -0.520 120.672 121.300 -0.180 0.000 3.032 337 W HA 0.338 4.999 4.660 0.001 0.000 0.335 337 W C 0.477 176.854 176.519 -0.237 0.000 1.154 337 W CA -0.797 56.440 57.345 -0.181 0.000 1.204 337 W CB 0.574 29.980 29.460 -0.090 0.000 1.416 337 W HN -0.088 nan 8.180 nan 0.000 0.521 338 H N 1.095 120.244 119.070 0.132 0.000 2.581 338 H HA 0.400 4.956 4.556 0.001 0.000 0.369 338 H C 0.679 176.023 175.328 0.027 0.000 1.351 338 H CA 0.166 56.198 56.048 -0.027 0.000 1.434 338 H CB 0.327 29.973 29.762 -0.193 0.000 1.558 338 H HN 0.508 nan 8.280 nan 0.000 0.608 339 K N 1.433 121.908 120.400 0.126 0.000 2.156 339 K HA 0.212 4.532 4.320 0.001 0.000 0.242 339 K C -2.451 174.196 176.600 0.080 0.000 1.033 339 K CA -1.270 55.064 56.287 0.080 0.000 0.878 339 K CB -1.162 31.375 32.500 0.061 0.000 1.057 339 K HN 0.395 nan 8.250 nan 0.000 0.505 340 P HA 0.314 nan 4.420 nan 0.000 0.272 340 P C -0.873 176.460 177.300 0.056 0.000 1.223 340 P CA -0.270 62.852 63.100 0.036 0.000 0.784 340 P CB 1.172 32.876 31.700 0.006 0.000 0.923 341 S N -0.018 115.716 115.700 0.057 0.000 2.569 341 S HA 0.527 4.997 4.470 0.001 0.000 0.280 341 S C -0.807 173.825 174.600 0.054 0.000 1.111 341 S CA -0.622 57.620 58.200 0.070 0.000 0.887 341 S CB 1.445 64.706 63.200 0.102 0.000 1.095 341 S HN 0.296 nan 8.310 nan 0.000 0.476 342 T N 1.756 116.341 114.554 0.051 0.000 2.845 342 T HA 0.399 4.749 4.350 0.001 0.000 0.288 342 T C 0.080 174.815 174.700 0.059 0.000 0.980 342 T CA -0.496 61.632 62.100 0.046 0.000 1.071 342 T CB 0.866 69.756 68.868 0.037 0.000 0.941 342 T HN 0.364 nan 8.240 nan 0.000 0.487 343 V N 4.681 124.634 119.914 0.066 0.000 2.521 343 V HA 0.111 4.231 4.120 0.001 0.000 0.286 343 V C 1.069 177.196 176.094 0.056 0.000 1.034 343 V CA 0.242 62.587 62.300 0.075 0.000 1.045 343 V CB 0.392 32.271 31.823 0.093 0.000 0.974 343 V HN 0.809 nan 8.190 nan 0.000 0.480 344 L N 4.050 125.304 121.223 0.051 0.000 2.356 344 L HA 0.318 4.658 4.340 0.001 0.000 0.193 344 L C 1.147 178.039 176.870 0.037 0.000 1.087 344 L CA 0.864 55.728 54.840 0.039 0.000 0.817 344 L CB -0.143 41.936 42.059 0.035 0.000 1.035 344 L HN 0.673 nan 8.230 nan 0.000 0.482 345 K N -0.105 120.318 120.400 0.039 0.000 2.426 345 K HA 0.646 4.966 4.320 0.001 0.000 0.251 345 K C -1.031 175.591 176.600 0.037 0.000 0.941 345 K CA -0.477 55.831 56.287 0.034 0.000 0.808 345 K CB 1.635 34.153 32.500 0.030 0.000 1.265 345 K HN -0.178 nan 8.250 nan 0.000 0.432 346 V N 4.547 124.480 119.914 0.031 0.000 2.270 346 V HA 0.175 4.296 4.120 0.001 0.000 0.263 346 V C 1.391 177.496 176.094 0.018 0.000 1.066 346 V CA -0.303 62.011 62.300 0.024 0.000 0.857 346 V CB 0.069 31.903 31.823 0.019 0.000 1.099 346 V HN 0.840 nan 8.190 nan 0.000 0.476 347 L N 3.371 124.608 121.223 0.022 0.000 2.191 347 L HA -0.055 4.286 4.340 0.001 0.000 0.212 347 L C 0.955 177.836 176.870 0.018 0.000 1.103 347 L CA 1.187 56.042 54.840 0.025 0.000 0.769 347 L CB -0.224 41.856 42.059 0.035 0.000 0.908 347 L HN 0.964 nan 8.230 nan 0.000 0.438 348 N N -4.764 113.940 118.700 0.007 0.000 3.501 348 N HA 0.123 4.863 4.740 0.001 0.000 0.235 348 N C -2.661 172.834 175.510 -0.026 0.000 1.442 348 N CA -1.296 51.753 53.050 -0.002 0.000 0.872 348 N CB 0.402 38.893 38.487 0.008 0.000 1.414 348 N HN -0.415 nan 8.380 nan 0.000 0.485 349 P HA 0.011 nan 4.420 nan 0.000 0.226 349 P C 0.264 177.490 177.300 -0.123 0.000 1.146 349 P CA 1.092 64.146 63.100 -0.076 0.000 0.773 349 P CB 0.180 31.840 31.700 -0.067 0.000 0.772 350 R N -2.191 118.256 120.500 -0.089 0.000 2.509 350 R HA 0.224 4.565 4.340 0.001 0.000 0.297 350 R C -0.155 176.094 176.300 -0.086 0.000 0.951 350 R CA 0.313 56.348 56.100 -0.109 0.000 1.103 350 R CB 0.783 31.041 30.300 -0.070 0.000 1.283 350 R HN 0.106 nan 8.270 nan 0.000 0.534 351 T N 0.169 114.694 114.554 -0.048 0.000 2.893 351 T HA 0.522 4.873 4.350 0.001 0.000 0.293 351 T C -0.954 173.750 174.700 0.006 0.000 1.027 351 T CA -0.521 61.570 62.100 -0.016 0.000 0.988 351 T CB 2.887 71.763 68.868 0.013 0.000 1.043 351 T HN -0.260 nan 8.240 nan 0.000 0.461 352 V N 2.182 122.113 119.914 0.029 0.000 2.888 352 V HA 0.515 4.635 4.120 0.001 0.000 0.309 352 V C -0.855 175.275 176.094 0.060 0.000 1.114 352 V CA -0.790 61.540 62.300 0.049 0.000 0.940 352 V CB 2.576 34.443 31.823 0.073 0.000 1.021 352 V HN 0.793 nan 8.190 nan 0.000 0.426 353 V N 5.752 125.701 119.914 0.057 0.000 2.370 353 V HA 0.554 4.674 4.120 0.001 0.000 0.279 353 V C -0.121 176.009 176.094 0.060 0.000 1.029 353 V CA -0.375 61.957 62.300 0.055 0.000 0.870 353 V CB 1.241 33.090 31.823 0.044 0.000 0.984 353 V HN 0.724 nan 8.190 nan 0.000 0.451 354 I N 2.829 123.437 120.570 0.063 0.000 2.603 354 I HA 0.657 4.827 4.170 0.001 0.000 0.300 354 I C -0.734 175.410 176.117 0.045 0.000 1.017 354 I CA -1.122 60.217 61.300 0.066 0.000 1.098 354 I CB 1.806 39.860 38.000 0.090 0.000 1.279 354 I HN 0.420 nan 8.210 nan 0.000 0.437 355 L N 5.831 127.080 121.223 0.043 0.000 2.283 355 L HA 0.358 4.698 4.340 0.001 0.000 0.287 355 L C -0.030 176.864 176.870 0.040 0.000 1.073 355 L CA 0.423 55.280 54.840 0.029 0.000 0.822 355 L CB 0.010 42.085 42.059 0.027 0.000 1.186 355 L HN 0.901 nan 8.230 nan 0.000 0.436 356 D N 2.874 123.283 120.400 0.015 0.000 2.390 356 D HA 0.116 4.756 4.640 0.001 0.000 0.279 356 D C -0.355 175.984 176.300 0.064 0.000 1.193 356 D CA 0.108 54.134 54.000 0.045 0.000 1.112 356 D CB -0.042 40.698 40.800 -0.101 0.000 1.182 356 D HN 0.666 nan 8.370 nan 0.000 0.569 357 H N -1.443 117.598 119.070 -0.047 0.000 2.741 357 H HA 0.687 5.243 4.556 0.001 0.000 0.261 357 H C -0.636 174.675 175.328 -0.028 0.000 1.365 357 H CA -0.895 55.130 56.048 -0.039 0.000 1.266 357 H CB 0.090 29.811 29.762 -0.069 0.000 1.485 357 H HN 0.202 nan 8.280 nan 0.000 0.529 358 L N 3.080 124.293 121.223 -0.016 0.000 2.845 358 L HA 0.498 4.839 4.340 0.001 0.000 0.253 358 L C -1.032 175.837 176.870 -0.002 0.000 0.959 358 L CA -0.201 54.647 54.840 0.014 0.000 1.001 358 L CB 1.492 43.587 42.059 0.059 0.000 1.374 358 L HN 0.891 nan 8.230 nan 0.000 0.469 359 G N 2.232 111.023 108.800 -0.015 0.000 2.732 359 G HA2 0.587 4.548 3.960 0.001 0.000 0.295 359 G HA3 0.587 4.548 3.960 0.001 0.000 0.295 359 G C -1.493 173.382 174.900 -0.041 0.000 1.456 359 G CA -0.526 44.557 45.100 -0.028 0.000 1.050 359 G HN 0.489 nan 8.290 nan 0.000 0.525 360 N N 0.674 119.329 118.700 -0.074 0.000 2.432 360 N HA 0.428 5.169 4.740 0.001 0.000 0.292 360 N C -0.659 174.823 175.510 -0.047 0.000 1.193 360 N CA -1.028 51.984 53.050 -0.064 0.000 0.878 360 N CB 0.929 39.361 38.487 -0.092 0.000 1.252 360 N HN 0.298 nan 8.380 nan 0.000 0.520 361 N N 1.002 119.686 118.700 -0.027 0.000 2.430 361 N HA 0.247 4.987 4.740 0.001 0.000 0.265 361 N C -0.706 174.799 175.510 -0.009 0.000 1.100 361 N CA -0.148 52.898 53.050 -0.008 0.000 0.961 361 N CB 0.547 39.037 38.487 0.005 0.000 1.075 361 N HN 0.248 nan 8.380 nan 0.000 0.478 362 R N 1.021 121.524 120.500 0.006 0.000 2.637 362 R HA 0.475 4.815 4.340 0.001 0.000 0.291 362 R C -0.605 175.722 176.300 0.045 0.000 0.963 362 R CA -0.567 55.545 56.100 0.020 0.000 0.901 362 R CB 1.438 31.752 30.300 0.024 0.000 1.160 362 R HN 0.389 nan 8.270 nan 0.000 0.457 363 T N 2.289 116.875 114.554 0.053 0.000 2.756 363 T HA 0.412 4.762 4.350 0.001 0.000 0.290 363 T C 0.065 174.812 174.700 0.078 0.000 0.985 363 T CA -0.646 61.493 62.100 0.065 0.000 0.955 363 T CB 1.016 69.925 68.868 0.068 0.000 0.930 363 T HN 0.462 nan 8.240 nan 0.000 0.451 364 V N 0.562 120.522 119.914 0.077 0.000 3.007 364 V HA 0.839 4.959 4.120 0.001 0.000 0.311 364 V C -0.003 176.110 176.094 0.033 0.000 1.120 364 V CA -1.015 61.334 62.300 0.081 0.000 0.980 364 V CB 2.038 33.932 31.823 0.118 0.000 1.033 364 V HN 0.705 nan 8.190 nan 0.000 0.429 365 S N 1.431 117.112 115.700 -0.032 0.000 2.580 365 S HA 0.415 4.886 4.470 0.001 0.000 0.274 365 S C 1.192 175.760 174.600 -0.052 0.000 1.329 365 S CA -0.145 57.947 58.200 -0.181 0.000 1.036 365 S CB 0.621 63.433 63.200 -0.647 0.000 0.919 365 S HN 1.063 nan 8.310 nan 0.000 0.515 366 I N 0.701 121.235 120.570 -0.059 0.000 3.001 366 I HA 0.027 4.197 4.170 0.001 0.000 0.268 366 I C 0.914 177.133 176.117 0.169 0.000 1.267 366 I CA 0.869 62.199 61.300 0.050 0.000 1.472 366 I CB -0.299 37.580 38.000 -0.203 0.000 1.089 366 I HN 0.388 nan 8.210 nan 0.000 0.468 367 D N 1.970 122.425 120.400 0.092 0.000 2.264 367 D HA -0.097 4.543 4.640 0.001 0.000 0.208 367 D C 1.139 177.585 176.300 0.244 0.000 0.966 367 D CA 0.916 55.034 54.000 0.197 0.000 0.864 367 D CB -0.247 40.706 40.800 0.256 0.000 0.933 367 D HN 0.441 nan 8.370 nan 0.000 0.499 368 N N 0.109 118.936 118.700 0.211 0.000 2.295 368 N HA 0.136 4.876 4.740 0.001 0.000 0.221 368 N C -0.136 175.576 175.510 0.337 0.000 1.129 368 N CA 0.066 53.248 53.050 0.220 0.000 0.836 368 N CB 0.904 39.492 38.487 0.168 0.000 1.040 368 N HN 0.209 nan 8.380 nan 0.000 0.494 369 L N 0.469 121.948 121.223 0.426 0.000 2.341 369 L HA 0.503 4.843 4.340 0.001 0.000 0.267 369 L C 0.006 177.120 176.870 0.407 0.000 1.009 369 L CA -0.873 54.252 54.840 0.475 0.000 0.819 369 L CB 2.380 44.737 42.059 0.498 0.000 1.323 369 L HN -0.002 nan 8.230 nan 0.000 0.425 370 K N 1.629 122.041 120.400 0.020 0.000 2.469 370 K HA 0.629 4.949 4.320 0.001 0.000 0.254 370 K C -2.984 173.216 176.600 -0.666 0.000 0.939 370 K CA -1.951 54.053 56.287 -0.472 0.000 0.812 370 K CB 2.462 34.442 32.500 -0.866 0.000 1.301 370 K HN 0.082 nan 8.250 nan 0.000 0.433 371 P HA 0.093 nan 4.420 nan 0.000 0.276 371 P C -0.894 176.104 177.300 -0.504 0.000 1.253 371 P CA -0.125 62.521 63.100 -0.756 0.000 0.766 371 P CB 0.842 32.035 31.700 -0.844 0.000 0.845 372 T N 2.559 116.903 114.554 -0.351 0.000 2.871 372 T HA 0.160 4.510 4.350 0.001 0.000 0.296 372 T C 0.697 175.221 174.700 -0.294 0.000 0.998 372 T CA 0.052 61.984 62.100 -0.281 0.000 1.162 372 T CB -0.302 68.466 68.868 -0.167 0.000 0.947 372 T HN 0.405 nan 8.240 nan 0.000 0.536 373 S N 4.611 120.093 115.700 -0.363 0.000 2.586 373 S HA 0.483 4.953 4.470 0.001 0.000 0.274 373 S C -0.162 174.149 174.600 -0.481 0.000 1.281 373 S CA -0.845 57.038 58.200 -0.528 0.000 1.035 373 S CB 0.428 63.168 63.200 -0.768 0.000 0.962 373 S HN 0.904 nan 8.310 nan 0.000 0.512 374 H N 0.000 119.015 119.070 -0.091 0.000 2.539 374 H HA 0.000 4.556 4.556 0.001 0.000 0.296 374 H CA 0.000 56.006 56.048 -0.071 0.000 1.023 374 H CB 0.000 29.720 29.762 -0.071 0.000 1.292 374 H HN 0.000 nan 8.280 nan 0.000 0.496