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 3l2r_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 0.000 177.541 177.584 -0.072 0.000 1.274 10 A CA 0.000 52.003 52.037 -0.057 0.000 0.836 10 A CB 0.000 18.968 19.000 -0.053 0.000 0.831 11 E N 1.192 121.343 120.200 -0.082 0.000 2.347 11 E HA 0.085 4.435 4.350 0.001 0.000 0.196 11 E C 1.505 178.008 176.600 -0.162 0.000 1.008 11 E CA 1.245 57.582 56.400 -0.104 0.000 0.852 11 E CB -0.308 29.342 29.700 -0.083 0.000 0.783 11 E HN 0.583 nan 8.360 nan 0.000 0.505 12 L N 0.954 122.088 121.223 -0.148 0.000 2.313 12 L HA -0.081 4.259 4.340 0.001 0.000 0.214 12 L C 2.262 179.049 176.870 -0.138 0.000 1.119 12 L CA 0.722 55.454 54.840 -0.180 0.000 0.809 12 L CB -0.318 41.669 42.059 -0.120 0.000 0.933 12 L HN 0.228 nan 8.230 nan 0.000 0.449 13 D N 0.361 120.705 120.400 -0.092 0.000 2.106 13 D HA -0.247 4.394 4.640 0.001 0.000 0.191 13 D C 2.045 178.314 176.300 -0.052 0.000 0.997 13 D CA 1.540 55.506 54.000 -0.056 0.000 0.834 13 D CB 0.204 40.978 40.800 -0.044 0.000 0.956 13 D HN 0.258 nan 8.370 nan 0.000 0.448 14 Q N -0.105 119.650 119.800 -0.075 0.000 2.152 14 Q HA -0.157 4.184 4.340 0.001 0.000 0.206 14 Q C 2.059 178.049 176.000 -0.016 0.000 0.985 14 Q CA 0.750 56.528 55.803 -0.042 0.000 0.863 14 Q CB -0.266 28.426 28.738 -0.077 0.000 0.904 14 Q HN 0.237 nan 8.270 nan 0.000 0.422 15 L N -0.499 120.646 121.223 -0.130 0.000 2.005 15 L HA -0.123 4.217 4.340 0.001 0.000 0.207 15 L C 1.760 178.596 176.870 -0.056 0.000 1.072 15 L CA 1.618 56.334 54.840 -0.208 0.000 0.744 15 L CB -0.592 41.190 42.059 -0.462 0.000 0.895 15 L HN 0.250 nan 8.230 nan 0.000 0.433 16 L N -1.054 120.168 121.223 -0.001 0.000 2.187 16 L HA -0.220 4.120 4.340 0.001 0.000 0.213 16 L C 2.188 179.109 176.870 0.085 0.000 1.100 16 L CA 1.022 55.914 54.840 0.087 0.000 0.765 16 L CB -0.703 41.405 42.059 0.081 0.000 0.904 16 L HN 0.378 nan 8.230 nan 0.000 0.437 17 Q N 0.037 119.883 119.800 0.077 0.000 2.444 17 Q HA 0.081 4.422 4.340 0.001 0.000 0.206 17 Q C 1.576 177.584 176.000 0.013 0.000 0.948 17 Q CA 0.568 56.429 55.803 0.096 0.000 0.946 17 Q CB 0.250 29.100 28.738 0.186 0.000 1.027 17 Q HN 0.616 nan 8.270 nan 0.000 0.513 18 G N 0.775 109.582 108.800 0.012 0.000 2.179 18 G HA2 -0.237 3.723 3.960 0.001 0.000 0.260 18 G HA3 -0.237 3.723 3.960 0.001 0.000 0.260 18 G C 0.022 174.863 174.900 -0.099 0.000 0.977 18 G CA -0.105 44.971 45.100 -0.040 0.000 0.641 18 G HN 0.443 nan 8.290 nan 0.000 0.533 19 H N -0.822 118.278 119.070 0.051 0.000 2.615 19 H HA 0.382 4.938 4.556 0.001 0.000 0.363 19 H C 0.258 175.642 175.328 0.092 0.000 1.148 19 H CA 0.205 56.294 56.048 0.068 0.000 1.401 19 H CB 0.854 30.636 29.762 0.034 0.000 1.461 19 H HN 0.266 nan 8.280 nan 0.000 0.588 20 Y N 1.849 122.229 120.300 0.133 0.000 2.299 20 Y HA 0.334 4.884 4.550 0.001 0.000 0.326 20 Y C -0.576 175.380 175.900 0.092 0.000 1.164 20 Y CA -0.499 57.661 58.100 0.099 0.000 1.234 20 Y CB 0.394 38.913 38.460 0.099 0.000 1.219 20 Y HN 0.392 nan 8.280 nan 0.000 0.497 21 I N 5.479 125.612 120.570 -0.727 0.000 2.466 21 I HA 0.330 4.500 4.170 0.001 0.000 0.289 21 I C -0.236 175.350 176.117 -0.885 0.000 1.026 21 I CA -1.275 59.631 61.300 -0.657 0.000 1.078 21 I CB 1.467 39.359 38.000 -0.180 0.000 1.249 21 I HN 0.751 nan 8.210 nan 0.000 0.429 22 K N 4.075 124.090 120.400 -0.642 0.000 2.440 22 K HA 0.374 4.695 4.320 0.001 0.000 0.275 22 K C 1.001 177.567 176.600 -0.056 0.000 1.082 22 K CA 0.847 57.020 56.287 -0.190 0.000 1.135 22 K CB -0.650 31.850 32.500 0.001 0.000 0.864 22 K HN 1.143 nan 8.250 nan 0.000 0.479 23 G N 1.276 110.098 108.800 0.037 0.000 2.493 23 G HA2 -0.184 3.777 3.960 0.001 0.000 0.206 23 G HA3 -0.184 3.777 3.960 0.001 0.000 0.206 23 G C 0.043 174.971 174.900 0.047 0.000 1.109 23 G CA 0.042 45.124 45.100 -0.031 0.000 0.689 23 G HN 0.885 nan 8.290 nan 0.000 0.516 24 Y N 3.625 124.038 120.300 0.188 0.000 2.504 24 Y HA 0.512 5.063 4.550 0.001 0.000 0.351 24 Y C -1.904 174.239 175.900 0.404 0.000 0.988 24 Y CA -1.819 56.489 58.100 0.347 0.000 1.239 24 Y CB 0.820 39.339 38.460 0.098 0.000 1.128 24 Y HN 0.099 nan 8.280 nan 0.000 0.525 25 P HA 0.075 nan 4.420 nan 0.000 0.271 25 P C -0.221 177.365 177.300 0.476 0.000 1.218 25 P CA -0.618 62.759 63.100 0.462 0.000 0.780 25 P CB 0.948 32.856 31.700 0.347 0.000 0.901 26 K N 1.902 122.496 120.400 0.323 0.000 2.140 26 K HA 0.107 4.428 4.320 0.001 0.000 0.237 26 K C 1.020 177.612 176.600 -0.013 0.000 1.045 26 K CA 0.353 56.778 56.287 0.230 0.000 0.896 26 K CB 0.256 32.849 32.500 0.154 0.000 1.122 26 K HN 0.725 nan 8.250 nan 0.000 0.503 27 Q N -2.176 117.585 119.800 -0.065 0.000 2.788 27 Q HA -0.231 4.109 4.340 0.001 0.000 0.157 27 Q C -1.058 174.759 176.000 -0.306 0.000 0.731 27 Q CA 1.050 56.716 55.803 -0.228 0.000 1.180 27 Q CB -1.604 26.927 28.738 -0.346 0.000 1.009 27 Q HN 0.439 nan 8.270 nan 0.000 1.074 28 Y N 2.977 123.215 120.300 -0.103 0.000 2.320 28 Y HA 0.557 5.107 4.550 0.001 0.000 0.334 28 Y C 0.607 176.285 175.900 -0.370 0.000 1.055 28 Y CA 0.088 58.018 58.100 -0.282 0.000 1.143 28 Y CB 1.676 39.852 38.460 -0.473 0.000 1.193 28 Y HN 0.181 nan 8.280 nan 0.000 0.477 29 T N 0.191 114.698 114.554 -0.079 0.000 2.856 29 T HA 0.499 4.849 4.350 0.001 0.000 0.292 29 T C -1.021 173.665 174.700 -0.023 0.000 0.980 29 T CA -0.662 61.439 62.100 0.003 0.000 1.091 29 T CB 0.240 69.163 68.868 0.091 0.000 0.936 29 T HN 0.381 nan 8.240 nan 0.000 0.503 30 Y N 2.902 123.342 120.300 0.234 0.000 2.328 30 Y HA 0.587 5.138 4.550 0.001 0.000 0.337 30 Y C -0.114 175.908 175.900 0.204 0.000 0.966 30 Y CA -1.456 56.733 58.100 0.148 0.000 1.136 30 Y CB 0.979 39.488 38.460 0.083 0.000 1.170 30 Y HN 0.812 nan 8.280 nan 0.000 0.470 31 F N 0.701 120.749 119.950 0.163 0.000 2.664 31 F HA 0.827 5.354 4.527 0.001 0.000 0.329 31 F C -1.956 173.898 175.800 0.090 0.000 1.090 31 F CA -1.702 56.360 58.000 0.104 0.000 0.978 31 F CB 1.101 40.138 39.000 0.061 0.000 1.378 31 F HN 0.226 nan 8.300 nan 0.000 0.495 32 L N 1.285 122.665 121.223 0.263 0.000 2.307 32 L HA 0.589 4.930 4.340 0.001 0.000 0.284 32 L C -0.988 176.005 176.870 0.204 0.000 1.023 32 L CA 0.084 55.008 54.840 0.140 0.000 0.810 32 L CB 1.554 43.680 42.059 0.111 0.000 1.231 32 L HN 0.799 nan 8.230 nan 0.000 0.423 33 E N 3.141 123.412 120.200 0.119 0.000 2.347 33 E HA 0.205 4.555 4.350 0.001 0.000 0.285 33 E C -1.296 175.346 176.600 0.070 0.000 0.925 33 E CA -0.519 55.958 56.400 0.128 0.000 0.779 33 E CB 1.415 31.229 29.700 0.190 0.000 1.233 33 E HN 0.683 nan 8.360 nan 0.000 0.414 34 D N 1.918 122.355 120.400 0.062 0.000 2.911 34 D HA -0.229 4.412 4.640 0.001 0.000 0.227 34 D C 0.817 177.139 176.300 0.037 0.000 1.164 34 D CA 1.536 55.562 54.000 0.044 0.000 0.782 34 D CB -1.379 39.445 40.800 0.040 0.000 1.094 34 D HN 1.001 nan 8.370 nan 0.000 0.425 35 G N -0.484 108.339 108.800 0.038 0.000 2.189 35 G HA2 -0.386 3.575 3.960 0.001 0.000 0.267 35 G HA3 -0.386 3.575 3.960 0.001 0.000 0.267 35 G C 0.271 175.187 174.900 0.027 0.000 0.975 35 G CA 1.088 46.206 45.100 0.030 0.000 0.644 35 G HN 0.516 nan 8.290 nan 0.000 0.537 36 K N -0.114 120.304 120.400 0.029 0.000 2.123 36 K HA 0.627 4.948 4.320 0.001 0.000 0.259 36 K C 0.089 176.691 176.600 0.002 0.000 0.960 36 K CA -0.907 55.396 56.287 0.027 0.000 0.872 36 K CB 2.601 35.125 32.500 0.040 0.000 1.079 36 K HN 0.018 nan 8.250 nan 0.000 0.440 37 V N 3.018 122.935 119.914 0.006 0.000 2.465 37 V HA 0.234 4.354 4.120 0.001 0.000 0.279 37 V C -0.007 176.047 176.094 -0.067 0.000 1.045 37 V CA -0.408 61.878 62.300 -0.022 0.000 0.938 37 V CB 0.710 32.541 31.823 0.014 0.000 0.986 37 V HN 0.671 nan 8.190 nan 0.000 0.467 38 K N 2.924 123.157 120.400 -0.279 0.000 2.400 38 K HA 0.854 5.174 4.320 0.001 0.000 0.246 38 K C -1.518 174.792 176.600 -0.483 0.000 0.995 38 K CA -0.891 55.128 56.287 -0.446 0.000 0.840 38 K CB 2.887 34.923 32.500 -0.773 0.000 1.293 38 K HN 0.402 nan 8.250 nan 0.000 0.445 39 V N 0.470 120.205 119.914 -0.299 0.000 2.808 39 V HA 0.283 4.403 4.120 0.001 0.000 0.308 39 V C -1.119 174.874 176.094 -0.168 0.000 1.099 39 V CA -0.479 61.681 62.300 -0.234 0.000 0.920 39 V CB 2.091 33.806 31.823 -0.180 0.000 1.014 39 V HN 0.827 nan 8.190 nan 0.000 0.425 40 S N 7.099 122.762 115.700 -0.062 0.000 2.474 40 S HA 0.644 5.115 4.470 0.001 0.000 0.276 40 S C -0.276 174.171 174.600 -0.256 0.000 1.227 40 S CA -0.349 57.833 58.200 -0.031 0.000 1.050 40 S CB 0.009 63.269 63.200 0.100 0.000 0.939 40 S HN 0.777 nan 8.310 nan 0.000 0.490 41 R N 3.941 124.271 120.500 -0.284 0.000 2.795 41 R HA 0.366 4.706 4.340 0.001 0.000 0.275 41 R C -1.937 174.235 176.300 -0.215 0.000 0.981 41 R CA -2.163 53.661 56.100 -0.460 0.000 0.917 41 R CB 1.322 31.241 30.300 -0.635 0.000 1.202 41 R HN 0.325 nan 8.270 nan 0.000 0.469 42 P HA -0.322 nan 4.420 nan 0.000 0.219 42 P C 1.348 178.609 177.300 -0.065 0.000 1.161 42 P CA 2.413 65.479 63.100 -0.058 0.000 0.909 42 P CB 0.235 31.919 31.700 -0.026 0.000 0.793 43 E N -0.250 119.898 120.200 -0.088 0.000 2.114 43 E HA 0.035 4.385 4.350 0.001 0.000 0.199 43 E C 1.274 177.840 176.600 -0.056 0.000 1.008 43 E CA 1.789 58.151 56.400 -0.062 0.000 0.810 43 E CB -1.130 28.534 29.700 -0.060 0.000 0.739 43 E HN 0.520 nan 8.360 nan 0.000 0.456 44 G N -2.882 105.872 108.800 -0.076 0.000 2.368 44 G HA2 0.339 4.300 3.960 0.001 0.000 0.269 44 G HA3 0.339 4.300 3.960 0.001 0.000 0.269 44 G C -1.251 173.614 174.900 -0.059 0.000 1.291 44 G CA -0.188 44.882 45.100 -0.051 0.000 0.903 44 G HN 0.725 nan 8.290 nan 0.000 0.483 45 V N 1.894 121.795 119.914 -0.022 0.000 2.394 45 V HA 0.663 4.784 4.120 0.001 0.000 0.282 45 V C -0.380 175.696 176.094 -0.029 0.000 1.031 45 V CA -0.542 61.755 62.300 -0.005 0.000 0.881 45 V CB 1.327 33.200 31.823 0.083 0.000 0.982 45 V HN 0.595 nan 8.190 nan 0.000 0.451 46 K N 4.291 124.668 120.400 -0.038 0.000 2.385 46 K HA 0.643 4.963 4.320 0.001 0.000 0.248 46 K C -0.795 175.833 176.600 0.047 0.000 0.955 46 K CA -0.760 55.534 56.287 0.010 0.000 0.816 46 K CB 2.901 35.459 32.500 0.096 0.000 1.250 46 K HN 0.459 nan 8.250 nan 0.000 0.434 47 I N 2.598 123.211 120.570 0.073 0.000 2.428 47 I HA 0.278 4.448 4.170 0.001 0.000 0.289 47 I C 0.274 176.626 176.117 0.393 0.000 1.019 47 I CA -0.498 60.903 61.300 0.168 0.000 1.351 47 I CB 0.599 38.684 38.000 0.141 0.000 1.412 47 I HN 0.280 nan 8.210 nan 0.000 0.513 48 I N 8.392 129.161 120.570 0.333 0.000 2.306 48 I HA 0.278 4.448 4.170 0.001 0.000 0.288 48 I C -2.123 174.137 176.117 0.238 0.000 1.036 48 I CA -1.886 59.650 61.300 0.394 0.000 1.221 48 I CB 0.588 38.841 38.000 0.422 0.000 1.385 48 I HN 0.284 nan 8.210 nan 0.000 0.472 49 P HA 0.250 nan 4.420 nan 0.000 0.277 49 P C -2.556 174.673 177.300 -0.118 0.000 1.240 49 P CA -1.677 61.406 63.100 -0.030 0.000 0.798 49 P CB -0.088 31.465 31.700 -0.246 0.000 0.979 50 P HA -0.065 nan 4.420 nan 0.000 0.266 50 P C 1.024 178.183 177.300 -0.234 0.000 1.186 50 P CA 0.344 63.361 63.100 -0.138 0.000 0.767 50 P CB 0.511 32.144 31.700 -0.111 0.000 0.820 51 Q N 2.136 121.808 119.800 -0.212 0.000 2.226 51 Q HA -0.161 4.180 4.340 0.001 0.000 0.204 51 Q C 1.766 177.607 176.000 -0.264 0.000 0.975 51 Q CA 1.991 57.627 55.803 -0.278 0.000 0.866 51 Q CB -0.273 28.352 28.738 -0.188 0.000 0.915 51 Q HN 0.569 nan 8.270 nan 0.000 0.440 52 S N -0.773 114.812 115.700 -0.192 0.000 2.555 52 S HA -0.072 4.398 4.470 0.001 0.000 0.230 52 S C 0.841 175.334 174.600 -0.179 0.000 0.978 52 S CA 0.974 59.078 58.200 -0.160 0.000 0.934 52 S CB 0.164 63.296 63.200 -0.114 0.000 0.766 52 S HN 0.323 nan 8.310 nan 0.000 0.533 53 D N 1.203 121.462 120.400 -0.235 0.000 2.392 53 D HA 0.223 4.864 4.640 0.001 0.000 0.206 53 D C 2.049 178.147 176.300 -0.338 0.000 1.046 53 D CA 0.185 54.038 54.000 -0.245 0.000 0.865 53 D CB -0.034 40.627 40.800 -0.232 0.000 0.969 53 D HN 0.357 nan 8.370 nan 0.000 0.509 54 R N 0.410 120.621 120.500 -0.482 0.000 2.075 54 R HA -0.076 4.264 4.340 0.001 0.000 0.232 54 R C 2.159 178.244 176.300 -0.358 0.000 1.126 54 R CA 0.945 56.625 56.100 -0.700 0.000 0.963 54 R CB -0.070 29.549 30.300 -1.135 0.000 0.858 54 R HN 0.208 nan 8.270 nan 0.000 0.435 55 Q N 1.095 120.746 119.800 -0.248 0.000 2.061 55 Q HA -0.227 4.114 4.340 0.001 0.000 0.204 55 Q C 2.095 178.033 176.000 -0.103 0.000 0.984 55 Q CA 1.627 57.348 55.803 -0.136 0.000 0.846 55 Q CB 0.025 28.693 28.738 -0.116 0.000 0.902 55 Q HN 0.171 nan 8.270 nan 0.000 0.421 56 K N 0.315 120.643 120.400 -0.119 0.000 2.057 56 K HA -0.160 4.160 4.320 0.001 0.000 0.207 56 K C 2.074 178.629 176.600 -0.074 0.000 1.049 56 K CA 1.306 57.542 56.287 -0.086 0.000 0.931 56 K CB -0.189 32.257 32.500 -0.090 0.000 0.714 56 K HN 0.264 nan 8.250 nan 0.000 0.440 57 I N 0.770 121.267 120.570 -0.121 0.000 2.179 57 I HA -0.279 3.892 4.170 0.001 0.000 0.242 57 I C 2.244 178.370 176.117 0.014 0.000 1.088 57 I CA 0.944 62.188 61.300 -0.093 0.000 1.357 57 I CB -0.125 37.720 38.000 -0.258 0.000 1.051 57 I HN -0.024 nan 8.210 nan 0.000 0.409 58 V N 0.506 120.448 119.914 0.047 0.000 2.407 58 V HA -0.272 3.849 4.120 0.001 0.000 0.248 58 V C 2.337 178.461 176.094 0.050 0.000 1.055 58 V CA 1.496 63.847 62.300 0.085 0.000 1.049 58 V CB -0.470 31.409 31.823 0.093 0.000 0.662 58 V HN 0.337 nan 8.190 nan 0.000 0.455 59 L N -0.392 120.842 121.223 0.017 0.000 2.056 59 L HA -0.164 4.176 4.340 0.001 0.000 0.207 59 L C 2.552 179.439 176.870 0.028 0.000 1.078 59 L CA 1.858 56.712 54.840 0.023 0.000 0.749 59 L CB -0.521 41.537 42.059 -0.002 0.000 0.901 59 L HN 0.330 nan 8.230 nan 0.000 0.433 60 Q N -1.153 118.655 119.800 0.014 0.000 2.079 60 Q HA -0.177 4.163 4.340 0.001 0.000 0.200 60 Q C 2.257 178.260 176.000 0.004 0.000 0.974 60 Q CA 1.490 57.297 55.803 0.007 0.000 0.840 60 Q CB -0.333 28.416 28.738 0.017 0.000 0.898 60 Q HN 0.651 nan 8.270 nan 0.000 0.430 61 A N 0.771 123.612 122.820 0.035 0.000 1.845 61 A HA -0.263 4.057 4.320 0.001 0.000 0.215 61 A C 1.827 179.409 177.584 -0.005 0.000 1.195 61 A CA 1.960 54.016 52.037 0.032 0.000 0.616 61 A CB -1.009 18.030 19.000 0.065 0.000 0.832 61 A HN 0.493 nan 8.150 nan 0.000 0.443 62 H N 0.133 119.159 119.070 -0.073 0.000 2.422 62 H HA -0.095 4.461 4.556 0.001 0.000 0.298 62 H C 1.748 176.921 175.328 -0.258 0.000 1.098 62 H CA 1.973 57.947 56.048 -0.122 0.000 1.315 62 H CB -0.075 29.626 29.762 -0.101 0.000 1.382 62 H HN 0.404 nan 8.280 nan 0.000 0.523 63 N N 0.027 118.559 118.700 -0.280 0.000 2.396 63 N HA -0.071 4.670 4.740 0.001 0.000 0.180 63 N C 1.860 177.128 175.510 -0.405 0.000 1.028 63 N CA 0.779 53.537 53.050 -0.486 0.000 0.893 63 N CB -0.091 38.271 38.487 -0.209 0.000 0.967 63 N HN 0.413 nan 8.380 nan 0.000 0.440 64 L N -0.132 120.951 121.223 -0.233 0.000 2.043 64 L HA -0.146 4.195 4.340 0.001 0.000 0.212 64 L C 1.585 178.377 176.870 -0.130 0.000 1.075 64 L CA 1.708 56.469 54.840 -0.132 0.000 0.752 64 L CB -0.213 41.799 42.059 -0.079 0.000 0.891 64 L HN 0.117 nan 8.230 nan 0.000 0.432 65 A N -3.908 118.800 122.820 -0.186 0.000 2.671 65 A HA 0.179 4.499 4.320 0.001 0.000 0.265 65 A C 0.086 177.612 177.584 -0.097 0.000 1.148 65 A CA -0.387 51.593 52.037 -0.096 0.000 0.977 65 A CB -0.046 18.923 19.000 -0.052 0.000 1.242 65 A HN 0.424 nan 8.150 nan 0.000 0.591 66 H N 1.577 120.422 119.070 -0.375 0.000 2.748 66 H HA -0.139 4.417 4.556 0.001 0.000 0.322 66 H C 0.234 175.344 175.328 -0.363 0.000 1.208 66 H CA 1.202 56.864 56.048 -0.644 0.000 1.151 66 H CB -2.117 27.488 29.762 -0.261 0.000 1.505 66 H HN 0.726 nan 8.280 nan 0.000 0.429 67 T N -2.002 112.397 114.554 -0.258 0.000 2.899 67 T HA 0.512 4.863 4.350 0.001 0.000 0.295 67 T C 1.394 176.181 174.700 0.146 0.000 1.033 67 T CA -0.254 61.839 62.100 -0.013 0.000 1.084 67 T CB 2.397 71.253 68.868 -0.019 0.000 0.979 67 T HN 0.409 nan 8.240 nan 0.000 0.532 68 G N 0.329 109.200 108.800 0.118 0.000 2.486 68 G HA2 0.195 4.156 3.960 0.001 0.000 0.272 68 G HA3 0.195 4.156 3.960 0.001 0.000 0.272 68 G C 0.883 175.829 174.900 0.077 0.000 1.426 68 G CA -0.575 44.596 45.100 0.119 0.000 1.058 68 G HN 0.835 nan 8.290 nan 0.000 0.531 69 R N -0.524 120.006 120.500 0.049 0.000 2.127 69 R HA -0.105 4.236 4.340 0.001 0.000 0.228 69 R C 2.435 178.740 176.300 0.008 0.000 1.125 69 R CA 1.960 58.068 56.100 0.013 0.000 0.904 69 R CB -0.510 29.803 30.300 0.022 0.000 0.831 69 R HN 0.579 nan 8.270 nan 0.000 0.431 70 E N 0.173 120.380 120.200 0.012 0.000 2.051 70 E HA -0.171 4.179 4.350 0.001 0.000 0.192 70 E C 1.921 178.523 176.600 0.004 0.000 0.991 70 E CA 1.306 57.707 56.400 0.002 0.000 0.799 70 E CB -0.364 29.340 29.700 0.006 0.000 0.748 70 E HN 0.484 nan 8.360 nan 0.000 0.449 71 A N 1.087 123.915 122.820 0.014 0.000 1.902 71 A HA -0.169 4.151 4.320 0.001 0.000 0.217 71 A C 2.485 180.075 177.584 0.010 0.000 1.181 71 A CA 2.197 54.241 52.037 0.011 0.000 0.623 71 A CB -0.977 18.031 19.000 0.014 0.000 0.818 71 A HN 0.257 nan 8.150 nan 0.000 0.443 72 T N 0.173 114.742 114.554 0.025 0.000 2.684 72 T HA -0.169 4.182 4.350 0.001 0.000 0.267 72 T C 1.866 176.569 174.700 0.005 0.000 1.036 72 T CA 1.559 63.678 62.100 0.031 0.000 1.148 72 T CB -0.457 68.456 68.868 0.076 0.000 0.863 72 T HN 0.370 nan 8.240 nan 0.000 0.436 73 L N 0.783 121.996 121.223 -0.017 0.000 2.042 73 L HA -0.021 4.320 4.340 0.001 0.000 0.210 73 L C 2.165 179.013 176.870 -0.037 0.000 1.076 73 L CA 1.543 56.352 54.840 -0.052 0.000 0.749 73 L CB -0.519 41.497 42.059 -0.071 0.000 0.893 73 L HN 0.223 nan 8.230 nan 0.000 0.432 74 L N -0.693 120.519 121.223 -0.018 0.000 2.131 74 L HA -0.196 4.145 4.340 0.001 0.000 0.210 74 L C 2.594 179.463 176.870 -0.002 0.000 1.092 74 L CA 0.829 55.662 54.840 -0.011 0.000 0.759 74 L CB -0.699 41.357 42.059 -0.006 0.000 0.903 74 L HN 0.205 nan 8.230 nan 0.000 0.435 75 K N 0.499 120.903 120.400 0.006 0.000 1.973 75 K HA -0.067 4.254 4.320 0.001 0.000 0.210 75 K C 2.036 178.663 176.600 0.045 0.000 1.045 75 K CA 1.514 57.814 56.287 0.022 0.000 0.937 75 K CB -0.602 31.914 32.500 0.026 0.000 0.721 75 K HN 0.235 nan 8.250 nan 0.000 0.438 76 I N 1.181 121.785 120.570 0.057 0.000 2.194 76 I HA -0.290 3.881 4.170 0.001 0.000 0.246 76 I C 2.245 178.422 176.117 0.099 0.000 1.093 76 I CA 1.470 62.844 61.300 0.124 0.000 1.355 76 I CB -0.539 37.485 38.000 0.040 0.000 1.046 76 I HN 0.051 nan 8.210 nan 0.000 0.413 77 A N 0.871 123.696 122.820 0.009 0.000 2.121 77 A HA -0.155 4.165 4.320 0.001 0.000 0.218 77 A C 1.944 179.531 177.584 0.006 0.000 1.154 77 A CA 1.269 53.308 52.037 0.003 0.000 0.679 77 A CB -0.611 18.380 19.000 -0.015 0.000 0.795 77 A HN 0.434 nan 8.150 nan 0.000 0.458 78 N N -0.095 118.603 118.700 -0.002 0.000 2.205 78 N HA -0.098 4.642 4.740 0.001 0.000 0.186 78 N C 1.382 176.841 175.510 -0.084 0.000 1.015 78 N CA 1.509 54.540 53.050 -0.030 0.000 0.862 78 N CB -0.185 38.288 38.487 -0.024 0.000 0.986 78 N HN 0.571 nan 8.380 nan 0.000 0.429 79 L N -2.351 118.781 121.223 -0.151 0.000 2.694 79 L HA 0.213 4.553 4.340 0.001 0.000 0.228 79 L C -0.278 176.312 176.870 -0.466 0.000 1.048 79 L CA 0.066 54.656 54.840 -0.416 0.000 0.887 79 L CB 0.221 41.821 42.059 -0.765 0.000 1.265 79 L HN -0.056 nan 8.230 nan 0.000 0.492 80 Y N -1.691 118.669 120.300 0.099 0.000 2.549 80 Y HA 0.432 4.983 4.550 0.001 0.000 0.339 80 Y C -0.798 175.203 175.900 0.167 0.000 1.053 80 Y CA -1.015 57.189 58.100 0.173 0.000 1.105 80 Y CB 1.548 40.179 38.460 0.284 0.000 1.258 80 Y HN -0.100 nan 8.280 nan 0.000 0.478 81 W N 3.014 124.466 121.300 0.252 0.000 3.032 81 W HA 0.621 5.282 4.660 0.001 0.000 0.335 81 W C -2.190 174.513 176.519 0.306 0.000 1.154 81 W CA -1.163 56.238 57.345 0.093 0.000 1.204 81 W CB 1.478 30.954 29.460 0.027 0.000 1.416 81 W HN 0.630 nan 8.180 nan 0.000 0.521 82 W N 4.289 124.875 121.300 -1.189 0.000 3.057 82 W HA 0.676 5.336 4.660 0.001 0.000 0.328 82 W C -3.176 172.350 176.519 -1.655 0.000 1.232 82 W CA -2.403 54.196 57.345 -1.244 0.000 1.187 82 W CB -0.032 29.164 29.460 -0.441 0.000 1.417 82 W HN 0.209 nan 8.180 nan 0.000 0.569 83 P HA 0.145 nan 4.420 nan 0.000 0.276 83 P C -0.576 176.540 177.300 -0.306 0.000 1.243 83 P CA 0.349 63.081 63.100 -0.614 0.000 0.768 83 P CB 0.495 31.901 31.700 -0.490 0.000 0.856 84 N N 2.180 120.702 118.700 -0.298 0.000 2.699 84 N HA -0.163 4.577 4.740 0.001 0.000 0.257 84 N C 0.653 176.025 175.510 -0.230 0.000 1.077 84 N CA 0.541 53.482 53.050 -0.182 0.000 0.702 84 N CB -1.407 37.035 38.487 -0.075 0.000 0.886 84 N HN 0.538 nan 8.380 nan 0.000 0.549 85 M N 0.127 119.431 119.600 -0.492 0.000 2.117 85 M HA -0.117 4.364 4.480 0.001 0.000 0.262 85 M C 2.095 178.235 176.300 -0.268 0.000 1.065 85 M CA 1.720 56.640 55.300 -0.633 0.000 1.114 85 M CB -0.115 31.919 32.600 -0.943 0.000 1.361 85 M HN 0.248 nan 8.290 nan 0.000 0.408 86 R N 0.728 121.110 120.500 -0.197 0.000 2.120 86 R HA -0.107 4.233 4.340 0.001 0.000 0.234 86 R C 2.659 178.918 176.300 -0.069 0.000 1.123 86 R CA 1.700 57.733 56.100 -0.112 0.000 0.975 86 R CB -0.687 29.564 30.300 -0.081 0.000 0.866 86 R HN 0.390 nan 8.270 nan 0.000 0.446 87 K N 1.523 121.891 120.400 -0.054 0.000 2.009 87 K HA -0.208 4.113 4.320 0.001 0.000 0.210 87 K C 1.630 178.224 176.600 -0.010 0.000 1.049 87 K CA 2.077 58.349 56.287 -0.024 0.000 0.929 87 K CB -0.933 31.559 32.500 -0.014 0.000 0.714 87 K HN 0.210 nan 8.250 nan 0.000 0.440 88 D N 0.245 120.667 120.400 0.037 0.000 2.144 88 D HA -0.097 4.543 4.640 0.001 0.000 0.199 88 D C 2.030 178.337 176.300 0.012 0.000 0.984 88 D CA 1.487 55.528 54.000 0.068 0.000 0.834 88 D CB -0.183 40.765 40.800 0.246 0.000 0.955 88 D HN 0.195 nan 8.370 nan 0.000 0.465 89 V N 1.144 121.049 119.914 -0.016 0.000 2.287 89 V HA -0.217 3.903 4.120 0.001 0.000 0.248 89 V C 2.703 178.715 176.094 -0.137 0.000 1.053 89 V CA 1.137 63.399 62.300 -0.064 0.000 1.027 89 V CB -0.393 31.386 31.823 -0.073 0.000 0.646 89 V HN 0.051 nan 8.190 nan 0.000 0.447 90 V N 0.185 120.018 119.914 -0.135 0.000 2.594 90 V HA -0.233 3.888 4.120 0.001 0.000 0.253 90 V C 2.860 178.822 176.094 -0.219 0.000 1.069 90 V CA 2.270 64.441 62.300 -0.215 0.000 1.082 90 V CB -1.305 30.462 31.823 -0.094 0.000 0.680 90 V HN 0.715 nan 8.190 nan 0.000 0.469 91 K N -0.643 119.681 120.400 -0.127 0.000 2.057 91 K HA -0.236 4.085 4.320 0.001 0.000 0.207 91 K C 2.015 178.529 176.600 -0.143 0.000 1.049 91 K CA 1.567 57.792 56.287 -0.105 0.000 0.931 91 K CB -0.644 31.819 32.500 -0.063 0.000 0.714 91 K HN 0.476 nan 8.250 nan 0.000 0.440 92 Q N 0.367 120.066 119.800 -0.170 0.000 2.020 92 Q HA 0.025 4.366 4.340 0.001 0.000 0.202 92 Q C 2.341 178.155 176.000 -0.310 0.000 0.982 92 Q CA 1.492 57.168 55.803 -0.212 0.000 0.838 92 Q CB -0.535 28.069 28.738 -0.223 0.000 0.899 92 Q HN 0.625 nan 8.270 nan 0.000 0.423 93 L N -0.246 120.722 121.223 -0.425 0.000 2.051 93 L HA -0.201 4.140 4.340 0.001 0.000 0.214 93 L C 2.223 178.911 176.870 -0.303 0.000 1.076 93 L CA 1.494 56.039 54.840 -0.492 0.000 0.758 93 L CB -1.014 40.613 42.059 -0.721 0.000 0.890 93 L HN 0.314 nan 8.230 nan 0.000 0.433 94 G N -0.532 108.112 108.800 -0.259 0.000 2.509 94 G HA2 -0.170 3.791 3.960 0.001 0.000 0.218 94 G HA3 -0.170 3.791 3.960 0.001 0.000 0.218 94 G C 1.634 176.513 174.900 -0.036 0.000 1.124 94 G CA 0.144 45.226 45.100 -0.031 0.000 0.776 94 G HN 0.353 nan 8.290 nan 0.000 0.547 95 R N -1.066 119.388 120.500 -0.077 0.000 2.432 95 R HA 0.187 4.527 4.340 0.001 0.000 0.260 95 R C 0.060 176.338 176.300 -0.038 0.000 0.935 95 R CA -0.363 55.707 56.100 -0.049 0.000 1.080 95 R CB 0.254 30.522 30.300 -0.053 0.000 1.155 95 R HN 0.215 nan 8.270 nan 0.000 0.531 96 C N 1.890 121.160 119.300 -0.051 0.000 2.252 96 C HA 0.143 4.604 4.460 0.001 0.000 0.342 96 C C 1.823 176.834 174.990 0.036 0.000 1.110 96 C CA -0.620 58.405 59.018 0.013 0.000 1.581 96 C CB 0.024 27.789 27.740 0.043 0.000 2.087 96 C HN 0.484 nan 8.230 nan 0.000 0.500 97 Q N 2.898 122.717 119.800 0.031 0.000 2.077 97 Q HA -0.239 4.101 4.340 0.001 0.000 0.206 97 Q C 2.016 178.024 176.000 0.013 0.000 0.989 97 Q CA 2.451 58.266 55.803 0.019 0.000 0.853 97 Q CB -0.018 28.731 28.738 0.018 0.000 0.907 97 Q HN 0.917 nan 8.270 nan 0.000 0.418 98 Q N -1.240 118.559 119.800 -0.001 0.000 2.050 98 Q HA -0.135 4.206 4.340 0.001 0.000 0.202 98 Q C 2.382 178.359 176.000 -0.039 0.000 0.980 98 Q CA 1.852 57.617 55.803 -0.064 0.000 0.840 98 Q CB -0.556 28.054 28.738 -0.214 0.000 0.898 98 Q HN 0.440 nan 8.270 nan 0.000 0.424 99 C N 0.117 119.435 119.300 0.031 0.000 2.422 99 C HA -0.088 4.372 4.460 0.001 0.000 0.279 99 C C 2.429 177.444 174.990 0.041 0.000 1.305 99 C CA 0.518 59.585 59.018 0.082 0.000 1.757 99 C CB -1.012 26.854 27.740 0.209 0.000 1.962 99 C HN 0.482 nan 8.230 nan 0.000 0.499 100 L N 0.973 122.210 121.223 0.023 0.000 2.093 100 L HA -0.071 4.269 4.340 0.001 0.000 0.208 100 L C 2.240 179.093 176.870 -0.027 0.000 1.085 100 L CA 1.598 56.427 54.840 -0.019 0.000 0.755 100 L CB -0.520 41.530 42.059 -0.015 0.000 0.904 100 L HN 0.469 nan 8.230 nan 0.000 0.435 101 I N -4.964 115.624 120.570 0.030 0.000 3.793 101 I HA 0.043 4.214 4.170 0.001 0.000 0.315 101 I C 1.447 177.679 176.117 0.191 0.000 1.275 101 I CA 0.417 61.780 61.300 0.105 0.000 1.214 101 I CB -0.067 37.975 38.000 0.070 0.000 1.018 101 I HN -0.021 nan 8.210 nan 0.000 0.439 102 T N -0.716 113.917 114.554 0.131 0.000 3.019 102 T HA 0.202 4.553 4.350 0.001 0.000 0.247 102 T C 0.716 175.522 174.700 0.176 0.000 0.992 102 T CA -0.224 61.960 62.100 0.140 0.000 1.036 102 T CB -0.149 68.743 68.868 0.039 0.000 1.063 102 T HN 0.170 nan 8.240 nan 0.000 0.476 103 N N 2.514 121.272 118.700 0.097 0.000 2.407 103 N HA 0.410 5.151 4.740 0.001 0.000 0.250 103 N C 0.036 175.603 175.510 0.096 0.000 1.236 103 N CA 0.001 53.093 53.050 0.069 0.000 0.879 103 N CB 0.426 38.920 38.487 0.013 0.000 1.088 103 N HN 0.459 nan 8.380 nan 0.000 0.450 104 A N 1.370 124.272 122.820 0.138 0.000 2.448 104 A HA 0.176 4.497 4.320 0.001 0.000 0.239 104 A C 0.757 178.330 177.584 -0.019 0.000 1.080 104 A CA -0.187 51.953 52.037 0.171 0.000 0.779 104 A CB 0.139 19.228 19.000 0.148 0.000 1.026 104 A HN 0.557 nan 8.150 nan 0.000 0.499 105 S N 0.196 115.875 115.700 -0.035 0.000 2.565 105 S HA 0.260 4.730 4.470 0.001 0.000 0.276 105 S C 0.605 175.179 174.600 -0.044 0.000 1.326 105 S CA -0.208 57.908 58.200 -0.139 0.000 1.045 105 S CB -0.034 63.091 63.200 -0.126 0.000 0.918 105 S HN 0.820 nan 8.310 nan 0.000 0.505 106 N N 3.013 121.668 118.700 -0.075 0.000 2.401 106 N HA 0.246 4.986 4.740 0.001 0.000 0.264 106 N C -1.221 174.286 175.510 -0.005 0.000 1.238 106 N CA -0.433 52.604 53.050 -0.020 0.000 0.889 106 N CB 0.009 38.484 38.487 -0.020 0.000 1.196 106 N HN 0.399 nan 8.380 nan 0.000 0.511 107 K N 0.186 120.589 120.400 0.004 0.000 2.507 107 K HA 0.628 4.949 4.320 0.001 0.000 0.251 107 K C -0.879 175.855 176.600 0.223 0.000 0.943 107 K CA -0.698 55.639 56.287 0.084 0.000 0.794 107 K CB 2.494 35.011 32.500 0.029 0.000 1.188 107 K HN 0.210 nan 8.250 nan 0.000 0.428 108 A N 1.863 124.816 122.820 0.223 0.000 2.386 108 A HA 0.351 4.671 4.320 0.001 0.000 0.248 108 A C -0.029 177.714 177.584 0.265 0.000 1.082 108 A CA -0.220 51.949 52.037 0.220 0.000 0.789 108 A CB 0.317 19.395 19.000 0.130 0.000 1.025 108 A HN 0.683 nan 8.150 nan 0.000 0.490 109 S N 0.196 115.992 115.700 0.159 0.000 2.584 109 S HA 0.409 4.879 4.470 0.001 0.000 0.270 109 S C 1.077 175.612 174.600 -0.108 0.000 1.346 109 S CA -0.054 58.100 58.200 -0.076 0.000 1.018 109 S CB 0.662 63.847 63.200 -0.023 0.000 0.899 109 S HN 1.160 nan 8.310 nan 0.000 0.542 110 G N 1.380 110.038 108.800 -0.236 0.000 2.712 110 G HA2 0.337 4.297 3.960 0.001 0.000 0.258 110 G HA3 0.337 4.297 3.960 0.001 0.000 0.258 110 G C -2.774 172.082 174.900 -0.072 0.000 1.241 110 G CA -1.081 43.936 45.100 -0.140 0.000 0.923 110 G HN 0.435 nan 8.290 nan 0.000 0.548 111 P HA 0.130 nan 4.420 nan 0.000 0.268 111 P C 0.591 177.881 177.300 -0.017 0.000 1.204 111 P CA -0.112 62.976 63.100 -0.020 0.000 0.768 111 P CB 0.389 32.079 31.700 -0.016 0.000 0.842 112 I N 0.309 120.879 120.570 0.001 0.000 2.948 112 I HA 0.048 4.219 4.170 0.001 0.000 0.290 112 I C -0.050 176.070 176.117 0.005 0.000 1.226 112 I CA -0.063 61.245 61.300 0.014 0.000 1.413 112 I CB -0.156 37.859 38.000 0.025 0.000 1.352 112 I HN 0.117 nan 8.210 nan 0.000 0.597 113 L N 4.790 126.023 121.223 0.016 0.000 2.421 113 L HA 0.453 4.794 4.340 0.001 0.000 0.263 113 L C 0.355 177.235 176.870 0.017 0.000 1.122 113 L CA -0.688 54.162 54.840 0.017 0.000 0.804 113 L CB 0.456 42.532 42.059 0.027 0.000 1.150 113 L HN 0.597 nan 8.230 nan 0.000 0.457 114 R N 1.461 121.974 120.500 0.023 0.000 2.564 114 R HA 0.341 4.682 4.340 0.001 0.000 0.282 114 R C -2.498 173.882 176.300 0.134 0.000 1.573 114 R CA -2.263 53.843 56.100 0.010 0.000 1.588 114 R CB 0.314 30.552 30.300 -0.103 0.000 1.154 114 R HN 0.267 nan 8.270 nan 0.000 0.606 115 P HA -0.041 nan 4.420 nan 0.000 0.265 115 P C -0.177 177.218 177.300 0.159 0.000 1.187 115 P CA 0.191 63.359 63.100 0.113 0.000 0.766 115 P CB 0.690 32.442 31.700 0.088 0.000 0.820 116 D N 2.144 122.556 120.400 0.019 0.000 2.488 116 D HA -0.045 4.596 4.640 0.001 0.000 0.238 116 D C 0.771 177.028 176.300 -0.071 0.000 1.138 116 D CA 0.459 54.338 54.000 -0.202 0.000 0.873 116 D CB 0.580 41.263 40.800 -0.195 0.000 1.183 116 D HN 0.310 nan 8.370 nan 0.000 0.458 117 R N 2.614 123.043 120.500 -0.119 0.000 2.538 117 R HA 0.042 4.383 4.340 0.001 0.000 0.282 117 R C -2.164 174.129 176.300 -0.012 0.000 1.009 117 R CA -0.899 55.203 56.100 0.004 0.000 1.063 117 R CB 0.169 30.480 30.300 0.018 0.000 0.945 117 R HN 0.129 nan 8.270 nan 0.000 0.414 118 P HA -0.025 nan 4.420 nan 0.000 0.267 118 P C 0.137 177.437 177.300 -0.001 0.000 1.200 118 P CA 0.399 63.519 63.100 0.033 0.000 0.772 118 P CB 0.900 32.649 31.700 0.082 0.000 0.855 119 Q N 3.411 123.201 119.800 -0.016 0.000 2.079 119 Q HA -0.117 4.224 4.340 0.001 0.000 0.200 119 Q C 0.851 176.836 176.000 -0.025 0.000 0.974 119 Q CA 1.573 57.359 55.803 -0.028 0.000 0.840 119 Q CB -0.745 27.974 28.738 -0.032 0.000 0.898 119 Q HN 0.682 nan 8.270 nan 0.000 0.430 120 K N -0.465 119.925 120.400 -0.016 0.000 2.443 120 K HA 0.633 4.954 4.320 0.001 0.000 0.251 120 K C -3.090 173.493 176.600 -0.029 0.000 0.972 120 K CA -2.413 53.861 56.287 -0.023 0.000 0.833 120 K CB 2.431 34.926 32.500 -0.007 0.000 1.317 120 K HN -0.083 nan 8.250 nan 0.000 0.441 121 P HA -0.055 nan 4.420 nan 0.000 0.267 121 P C -0.287 176.951 177.300 -0.105 0.000 1.201 121 P CA 0.372 63.330 63.100 -0.236 0.000 0.775 121 P CB -0.142 31.282 31.700 -0.461 0.000 0.854 122 F N -1.897 118.105 119.950 0.086 0.000 2.748 122 F HA -0.270 4.258 4.527 0.001 0.000 0.370 122 F C 1.394 177.081 175.800 -0.189 0.000 0.620 122 F CA 0.968 58.903 58.000 -0.108 0.000 1.233 122 F CB -2.044 36.878 39.000 -0.130 0.000 1.708 122 F HN 0.248 nan 8.300 nan 0.000 0.298 123 D N 0.609 121.029 120.400 0.034 0.000 2.097 123 D HA -0.044 4.597 4.640 0.001 0.000 0.195 123 D C 1.004 177.279 176.300 -0.041 0.000 0.989 123 D CA 1.677 55.671 54.000 -0.010 0.000 0.827 123 D CB 0.086 40.890 40.800 0.007 0.000 0.966 123 D HN 0.361 nan 8.370 nan 0.000 0.456 124 K N -0.377 120.031 120.400 0.014 0.000 2.553 124 K HA 0.194 4.515 4.320 0.001 0.000 0.250 124 K C -1.586 175.148 176.600 0.224 0.000 0.953 124 K CA -0.545 55.742 56.287 -0.000 0.000 0.800 124 K CB 1.209 33.692 32.500 -0.027 0.000 1.243 124 K HN -0.287 nan 8.250 nan 0.000 0.435 125 F N 3.640 123.546 119.950 -0.075 0.000 2.421 125 F HA 0.460 4.988 4.527 0.001 0.000 0.337 125 F C -0.181 175.507 175.800 -0.186 0.000 1.105 125 F CA -1.095 56.905 58.000 -0.000 0.000 1.049 125 F CB 0.738 39.767 39.000 0.047 0.000 1.139 125 F HN 0.342 nan 8.300 nan 0.000 0.479 126 F N 4.590 124.667 119.950 0.211 0.000 2.420 126 F HA 0.593 5.120 4.527 0.001 0.000 0.342 126 F C 0.347 176.165 175.800 0.030 0.000 1.113 126 F CA -0.767 57.300 58.000 0.111 0.000 1.059 126 F CB 1.219 40.253 39.000 0.057 0.000 1.128 126 F HN 0.268 nan 8.300 nan 0.000 0.475 127 I N -0.082 120.540 120.570 0.087 0.000 2.722 127 I HA 0.811 4.981 4.170 0.001 0.000 0.295 127 I C -1.871 174.176 176.117 -0.116 0.000 1.161 127 I CA -0.615 60.644 61.300 -0.068 0.000 1.032 127 I CB 2.481 40.356 38.000 -0.209 0.000 1.244 127 I HN 0.417 nan 8.210 nan 0.000 0.421 128 D N 2.748 123.126 120.400 -0.036 0.000 2.622 128 D HA 0.467 5.108 4.640 0.001 0.000 0.255 128 D C -2.045 174.290 176.300 0.058 0.000 1.246 128 D CA -0.256 53.817 54.000 0.121 0.000 0.795 128 D CB 2.036 42.921 40.800 0.141 0.000 1.369 128 D HN 0.535 nan 8.370 nan 0.000 0.425 129 Y N 0.680 121.116 120.300 0.226 0.000 2.360 129 Y HA 0.541 5.091 4.550 0.001 0.000 0.337 129 Y C 0.301 176.294 175.900 0.156 0.000 1.039 129 Y CA -0.608 57.599 58.100 0.179 0.000 1.109 129 Y CB 1.386 39.916 38.460 0.117 0.000 1.201 129 Y HN 0.203 nan 8.280 nan 0.000 0.458 130 I N 2.689 123.428 120.570 0.282 0.000 2.440 130 I HA 0.674 4.845 4.170 0.001 0.000 0.294 130 I C 0.545 176.795 176.117 0.222 0.000 0.995 130 I CA 0.112 61.511 61.300 0.166 0.000 1.306 130 I CB 1.202 39.215 38.000 0.023 0.000 1.407 130 I HN 0.828 nan 8.210 nan 0.000 0.501 131 G N 5.689 114.547 108.800 0.097 0.000 2.347 131 G HA2 0.030 3.991 3.960 0.001 0.000 0.341 131 G HA3 0.030 3.991 3.960 0.001 0.000 0.341 131 G C -3.182 171.675 174.900 -0.073 0.000 1.287 131 G CA -1.156 43.851 45.100 -0.154 0.000 0.984 131 G HN 0.391 nan 8.290 nan 0.000 0.526 132 P HA 0.543 nan 4.420 nan 0.000 0.271 132 P C 0.001 177.083 177.300 -0.364 0.000 1.216 132 P CA -0.245 62.426 63.100 -0.716 0.000 0.776 132 P CB 0.605 32.068 31.700 -0.395 0.000 0.881 133 L N 3.890 124.905 121.223 -0.346 0.000 2.358 133 L HA 0.498 4.839 4.340 0.001 0.000 0.268 133 L C -2.017 174.876 176.870 0.038 0.000 1.032 133 L CA -2.603 52.109 54.840 -0.213 0.000 0.805 133 L CB 1.053 42.787 42.059 -0.542 0.000 1.253 133 L HN 0.222 nan 8.230 nan 0.000 0.452 134 P HA 0.073 nan 4.420 nan 0.000 0.264 134 P C -2.522 174.993 177.300 0.358 0.000 1.193 134 P CA -0.929 62.295 63.100 0.206 0.000 0.763 134 P CB -0.436 31.381 31.700 0.195 0.000 0.810 135 P HA -0.036 nan 4.420 nan 0.000 0.261 135 P C -0.005 177.344 177.300 0.081 0.000 1.165 135 P CA 0.943 64.142 63.100 0.165 0.000 0.759 135 P CB 0.263 32.007 31.700 0.073 0.000 0.772 136 S N 3.091 118.756 115.700 -0.058 0.000 2.707 136 S HA 0.155 4.625 4.470 0.001 0.000 0.303 136 S C -0.135 174.304 174.600 -0.268 0.000 1.132 136 S CA -0.358 57.621 58.200 -0.369 0.000 1.046 136 S CB 0.106 62.618 63.200 -1.147 0.000 1.004 136 S HN 0.439 nan 8.310 nan 0.000 0.483 137 Q N 2.317 121.981 119.800 -0.228 0.000 2.450 137 Q HA -0.244 4.097 4.340 0.001 0.000 0.255 137 Q C 0.927 176.903 176.000 -0.041 0.000 1.003 137 Q CA 1.448 57.118 55.803 -0.220 0.000 1.097 137 Q CB -1.975 26.403 28.738 -0.600 0.000 1.544 137 Q HN 1.723 nan 8.270 nan 0.000 0.531 138 G N -1.731 107.049 108.800 -0.034 0.000 2.175 138 G HA2 -0.327 3.633 3.960 0.001 0.000 0.244 138 G HA3 -0.327 3.633 3.960 0.001 0.000 0.244 138 G C -0.226 174.602 174.900 -0.120 0.000 0.982 138 G CA 0.251 45.296 45.100 -0.091 0.000 0.641 138 G HN 0.331 nan 8.290 nan 0.000 0.527 139 Y N -0.810 119.503 120.300 0.022 0.000 2.387 139 Y HA 0.687 5.238 4.550 0.001 0.000 0.330 139 Y C 1.410 177.538 175.900 0.380 0.000 1.133 139 Y CA -0.631 57.596 58.100 0.212 0.000 1.152 139 Y CB 1.505 40.133 38.460 0.281 0.000 1.215 139 Y HN -0.028 nan 8.280 nan 0.000 0.466 140 L N 1.141 122.690 121.223 0.544 0.000 2.902 140 L HA 0.275 4.616 4.340 0.001 0.000 0.254 140 L C -0.926 175.949 176.870 0.008 0.000 1.115 140 L CA -0.048 54.962 54.840 0.283 0.000 0.947 140 L CB 0.485 42.547 42.059 0.006 0.000 1.369 140 L HN 0.539 nan 8.230 nan 0.000 0.538 141 Y N -1.007 119.510 120.300 0.361 0.000 2.602 141 Y HA 0.647 5.198 4.550 0.000 0.000 0.342 141 Y C -0.333 175.743 175.900 0.293 0.000 1.029 141 Y CA -1.131 57.112 58.100 0.239 0.000 1.080 141 Y CB 2.096 40.692 38.460 0.226 0.000 1.284 141 Y HN -0.479 nan 8.280 nan 0.000 0.485 142 V N 2.713 122.854 119.914 0.380 0.000 2.531 142 V HA 0.306 4.426 4.120 0.001 0.000 0.301 142 V C -1.011 175.211 176.094 0.214 0.000 1.034 142 V CA -0.819 61.639 62.300 0.263 0.000 0.865 142 V CB 1.859 33.715 31.823 0.055 0.000 0.995 142 V HN 0.517 nan 8.190 nan 0.000 0.424 143 L N 6.472 127.764 121.223 0.116 0.000 2.313 143 L HA 0.574 4.914 4.340 0.001 0.000 0.282 143 L C -0.411 176.469 176.870 0.015 0.000 1.092 143 L CA 0.536 55.259 54.840 -0.195 0.000 0.831 143 L CB 1.204 43.150 42.059 -0.188 0.000 1.159 143 L HN 0.467 nan 8.230 nan 0.000 0.442 144 V N 6.152 126.038 119.914 -0.048 0.000 2.448 144 V HA 0.512 4.633 4.120 0.001 0.000 0.295 144 V C -0.535 175.579 176.094 0.032 0.000 1.025 144 V CA -0.624 61.690 62.300 0.023 0.000 0.859 144 V CB 1.888 33.715 31.823 0.006 0.000 0.988 144 V HN 0.513 nan 8.190 nan 0.000 0.431 145 V N 5.805 125.777 119.914 0.097 0.000 2.444 145 V HA 0.560 4.680 4.120 0.001 0.000 0.294 145 V C -0.437 175.701 176.094 0.073 0.000 1.022 145 V CA -0.562 61.773 62.300 0.057 0.000 0.850 145 V CB 2.052 33.902 31.823 0.045 0.000 0.992 145 V HN 0.598 nan 8.190 nan 0.000 0.426 146 V N 3.110 123.051 119.914 0.046 0.000 2.487 146 V HA 0.379 4.499 4.120 0.001 0.000 0.298 146 V C -0.379 175.790 176.094 0.125 0.000 1.028 146 V CA -0.738 61.610 62.300 0.080 0.000 0.860 146 V CB 2.036 33.909 31.823 0.084 0.000 0.991 146 V HN 0.948 nan 8.190 nan 0.000 0.427 147 D N 3.600 124.085 120.400 0.141 0.000 2.371 147 D HA 0.303 4.944 4.640 0.001 0.000 0.256 147 D C 1.383 177.840 176.300 0.262 0.000 1.193 147 D CA 0.815 54.986 54.000 0.285 0.000 0.881 147 D CB 1.813 42.756 40.800 0.238 0.000 1.143 147 D HN 0.593 nan 8.370 nan 0.000 0.473 148 G N 3.915 112.948 108.800 0.389 0.000 2.476 148 G HA2 -0.305 3.656 3.960 0.001 0.000 0.218 148 G HA3 -0.305 3.656 3.960 0.001 0.000 0.218 148 G C 1.312 176.306 174.900 0.157 0.000 1.164 148 G CA 0.587 45.896 45.100 0.349 0.000 0.768 148 G HN 0.549 nan 8.290 nan 0.000 0.560 149 M N 1.461 121.129 119.600 0.114 0.000 2.123 149 M HA -0.056 4.424 4.480 0.001 0.000 0.263 149 M C 2.598 178.905 176.300 0.012 0.000 1.069 149 M CA 2.335 57.659 55.300 0.040 0.000 1.133 149 M CB -0.780 31.818 32.600 -0.004 0.000 1.356 149 M HN 0.401 nan 8.290 nan 0.000 0.415 150 T N -3.975 110.577 114.554 -0.003 0.000 3.015 150 T HA 0.321 4.672 4.350 0.001 0.000 0.250 150 T C 1.479 176.188 174.700 0.014 0.000 1.057 150 T CA 0.942 63.029 62.100 -0.022 0.000 1.066 150 T CB 0.094 68.910 68.868 -0.086 0.000 0.959 150 T HN 0.580 nan 8.240 nan 0.000 0.488 151 G N 1.062 109.877 108.800 0.026 0.000 2.212 151 G HA2 -0.271 3.689 3.960 0.001 0.000 0.266 151 G HA3 -0.271 3.689 3.960 0.001 0.000 0.266 151 G C -0.031 174.848 174.900 -0.034 0.000 0.978 151 G CA 0.034 45.132 45.100 -0.003 0.000 0.632 151 G HN 0.640 nan 8.290 nan 0.000 0.537 152 F N 2.427 122.262 119.950 -0.191 0.000 2.607 152 F HA 0.459 4.986 4.527 0.001 0.000 0.374 152 F C 0.768 176.337 175.800 -0.386 0.000 1.104 152 F CA 1.475 59.266 58.000 -0.348 0.000 1.296 152 F CB 0.794 39.497 39.000 -0.496 0.000 1.085 152 F HN 0.015 nan 8.300 nan 0.000 0.584 153 T N 6.100 120.252 114.554 -0.671 0.000 2.848 153 T HA 0.263 4.613 4.350 0.001 0.000 0.285 153 T C -1.092 173.349 174.700 -0.431 0.000 0.995 153 T CA -0.462 61.426 62.100 -0.354 0.000 0.970 153 T CB 0.838 69.540 68.868 -0.276 0.000 0.976 153 T HN 0.456 nan 8.240 nan 0.000 0.441 154 W N 3.575 124.812 121.300 -0.106 0.000 2.606 154 W HA 0.611 5.272 4.660 0.001 0.000 0.332 154 W C -0.911 175.462 176.519 -0.243 0.000 1.052 154 W CA -0.890 56.366 57.345 -0.147 0.000 1.223 154 W CB 1.370 30.840 29.460 0.018 0.000 1.383 154 W HN 0.290 nan 8.180 nan 0.000 0.524 155 L N 3.338 124.419 121.223 -0.237 0.000 2.333 155 L HA 0.467 4.808 4.340 0.001 0.000 0.280 155 L C -1.346 175.244 176.870 -0.466 0.000 1.004 155 L CA -1.025 53.681 54.840 -0.224 0.000 0.820 155 L CB 1.251 43.223 42.059 -0.145 0.000 1.247 155 L HN 0.297 nan 8.230 nan 0.000 0.416 156 Y N 3.060 123.406 120.300 0.078 0.000 2.361 156 Y HA 0.425 4.976 4.550 0.001 0.000 0.337 156 Y C -2.306 173.684 175.900 0.149 0.000 0.965 156 Y CA -2.590 55.565 58.100 0.091 0.000 1.091 156 Y CB 1.958 40.477 38.460 0.097 0.000 1.182 156 Y HN 0.362 nan 8.280 nan 0.000 0.450 157 P HA 0.195 nan 4.420 nan 0.000 0.286 157 P C -0.426 177.248 177.300 0.624 0.000 1.269 157 P CA -0.222 63.120 63.100 0.405 0.000 0.787 157 P CB 1.579 33.333 31.700 0.090 0.000 0.920 158 T N -0.583 114.406 114.554 0.724 0.000 2.907 158 T HA 0.422 4.772 4.350 0.001 0.000 0.290 158 T C 0.809 175.835 174.700 0.543 0.000 1.066 158 T CA -0.787 61.693 62.100 0.633 0.000 1.012 158 T CB 1.845 70.995 68.868 0.469 0.000 1.184 158 T HN 0.190 nan 8.240 nan 0.000 0.522 159 K N 0.025 120.566 120.400 0.235 0.000 2.356 159 K HA 0.511 4.832 4.320 0.001 0.000 0.195 159 K C 0.656 177.366 176.600 0.183 0.000 1.037 159 K CA 0.235 56.586 56.287 0.107 0.000 1.014 159 K CB 0.477 32.910 32.500 -0.112 0.000 0.815 159 K HN 0.762 nan 8.250 nan 0.000 0.507 160 A N 1.481 124.339 122.820 0.065 0.000 2.606 160 A HA 0.410 4.730 4.320 0.001 0.000 0.293 160 A C -2.807 174.416 177.584 -0.601 0.000 1.082 160 A CA -1.240 50.659 52.037 -0.231 0.000 0.685 160 A CB 1.261 20.146 19.000 -0.192 0.000 1.284 160 A HN -0.178 nan 8.150 nan 0.000 0.408 161 P HA 0.210 nan 4.420 nan 0.000 0.214 161 P C -0.199 176.447 177.300 -1.089 0.000 1.826 161 P CA 0.164 62.251 63.100 -1.688 0.000 0.977 161 P CB -0.205 30.515 31.700 -1.634 0.000 1.930 162 S N -0.923 114.395 115.700 -0.636 0.000 2.681 162 S HA 0.399 4.870 4.470 0.001 0.000 0.299 162 S C 1.273 175.714 174.600 -0.265 0.000 1.113 162 S CA -0.365 57.608 58.200 -0.379 0.000 1.013 162 S CB 0.654 63.711 63.200 -0.238 0.000 1.076 162 S HN 0.052 nan 8.310 nan 0.000 0.534 163 T N 2.106 116.525 114.554 -0.226 0.000 2.708 163 T HA -0.129 4.222 4.350 0.001 0.000 0.266 163 T C 2.204 176.847 174.700 -0.095 0.000 1.037 163 T CA 2.025 64.027 62.100 -0.163 0.000 1.146 163 T CB -0.859 67.963 68.868 -0.077 0.000 0.865 163 T HN 0.864 nan 8.240 nan 0.000 0.435 164 S N 2.266 117.923 115.700 -0.070 0.000 2.382 164 S HA -0.034 4.437 4.470 0.001 0.000 0.228 164 S C 2.443 177.022 174.600 -0.036 0.000 1.027 164 S CA 0.940 59.116 58.200 -0.040 0.000 0.991 164 S CB -0.721 62.464 63.200 -0.025 0.000 0.823 164 S HN 0.531 nan 8.310 nan 0.000 0.469 165 A N 1.979 124.785 122.820 -0.024 0.000 1.933 165 A HA -0.026 4.294 4.320 0.001 0.000 0.218 165 A C 2.412 180.009 177.584 0.021 0.000 1.175 165 A CA 1.958 54.017 52.037 0.037 0.000 0.628 165 A CB -1.526 17.529 19.000 0.092 0.000 0.814 165 A HN 0.578 nan 8.150 nan 0.000 0.444 166 T N -0.488 114.065 114.554 -0.003 0.000 2.777 166 T HA -0.088 4.262 4.350 0.001 0.000 0.266 166 T C 1.861 176.418 174.700 -0.239 0.000 1.040 166 T CA 1.450 63.503 62.100 -0.079 0.000 1.141 166 T CB -0.432 68.359 68.868 -0.128 0.000 0.868 166 T HN 0.137 nan 8.240 nan 0.000 0.444 167 V N 1.545 121.302 119.914 -0.261 0.000 2.295 167 V HA -0.174 3.947 4.120 0.001 0.000 0.246 167 V C 2.524 178.478 176.094 -0.233 0.000 1.049 167 V CA 1.565 63.602 62.300 -0.439 0.000 1.024 167 V CB -0.497 31.145 31.823 -0.302 0.000 0.648 167 V HN 0.449 nan 8.190 nan 0.000 0.447 168 K N 0.078 120.412 120.400 -0.109 0.000 2.032 168 K HA -0.176 4.145 4.320 0.001 0.000 0.209 168 K C 2.412 178.950 176.600 -0.104 0.000 1.048 168 K CA 1.926 58.186 56.287 -0.045 0.000 0.927 168 K CB -0.379 32.126 32.500 0.009 0.000 0.712 168 K HN 0.388 nan 8.250 nan 0.000 0.441 169 S N 1.328 116.907 115.700 -0.201 0.000 2.368 169 S HA -0.078 4.393 4.470 0.001 0.000 0.225 169 S C 1.919 176.194 174.600 -0.541 0.000 1.030 169 S CA 1.040 58.945 58.200 -0.491 0.000 0.999 169 S CB -0.171 62.646 63.200 -0.638 0.000 0.844 169 S HN 0.202 nan 8.310 nan 0.000 0.459 170 L N 1.537 122.555 121.223 -0.342 0.000 2.240 170 L HA -0.021 4.319 4.340 0.001 0.000 0.211 170 L C 1.908 178.827 176.870 0.082 0.000 1.106 170 L CA 0.598 55.340 54.840 -0.164 0.000 0.793 170 L CB -0.610 41.323 42.059 -0.211 0.000 0.927 170 L HN 0.250 nan 8.230 nan 0.000 0.446 171 N N -0.123 118.643 118.700 0.110 0.000 2.289 171 N HA -0.139 4.601 4.740 0.001 0.000 0.184 171 N C 1.833 177.398 175.510 0.092 0.000 1.016 171 N CA 0.986 54.150 53.050 0.190 0.000 0.872 171 N CB -0.246 38.353 38.487 0.188 0.000 0.973 171 N HN 0.128 nan 8.380 nan 0.000 0.433 172 V N 0.964 120.896 119.914 0.029 0.000 2.379 172 V HA -0.123 3.997 4.120 0.001 0.000 0.245 172 V C 2.227 178.365 176.094 0.074 0.000 1.044 172 V CA 0.883 63.223 62.300 0.067 0.000 1.036 172 V CB -0.391 31.497 31.823 0.109 0.000 0.664 172 V HN 0.198 nan 8.190 nan 0.000 0.453 173 L N 1.169 122.395 121.223 0.005 0.000 2.044 173 L HA -0.091 4.249 4.340 0.001 0.000 0.205 173 L C 2.512 179.359 176.870 -0.038 0.000 1.075 173 L CA 2.801 57.603 54.840 -0.064 0.000 0.747 173 L CB -1.240 40.701 42.059 -0.196 0.000 0.903 173 L HN 0.542 nan 8.230 nan 0.000 0.435 174 T N -3.181 111.392 114.554 0.031 0.000 3.215 174 T HA -0.028 4.323 4.350 0.001 0.000 0.254 174 T C 1.752 176.439 174.700 -0.021 0.000 1.149 174 T CA 0.684 62.789 62.100 0.009 0.000 1.042 174 T CB -0.891 68.018 68.868 0.068 0.000 0.966 174 T HN 0.512 nan 8.240 nan 0.000 0.534 175 S N 0.998 116.705 115.700 0.012 0.000 2.562 175 S HA 0.057 4.528 4.470 0.001 0.000 0.221 175 S C 1.761 176.362 174.600 0.002 0.000 0.975 175 S CA 0.257 58.464 58.200 0.011 0.000 0.918 175 S CB -0.646 62.581 63.200 0.045 0.000 0.772 175 S HN 0.766 nan 8.310 nan 0.000 0.531 176 I N -0.384 120.182 120.570 -0.005 0.000 3.039 176 I HA 0.649 4.819 4.170 0.001 0.000 0.270 176 I C 0.427 176.445 176.117 -0.165 0.000 1.150 176 I CA 0.256 61.549 61.300 -0.012 0.000 1.448 176 I CB 0.334 38.405 38.000 0.119 0.000 1.197 176 I HN 0.323 nan 8.210 nan 0.000 0.450 177 A N 0.615 123.256 122.820 -0.299 0.000 2.606 177 A HA 0.730 5.051 4.320 0.001 0.000 0.293 177 A C -1.256 176.055 177.584 -0.455 0.000 1.082 177 A CA -0.522 51.152 52.037 -0.604 0.000 0.685 177 A CB 0.976 19.023 19.000 -1.588 0.000 1.284 177 A HN 0.188 nan 8.150 nan 0.000 0.408 178 I N 2.670 122.985 120.570 -0.426 0.000 2.378 178 I HA 0.381 4.552 4.170 0.001 0.000 0.291 178 I C -2.055 173.851 176.117 -0.352 0.000 0.992 178 I CA -1.965 59.141 61.300 -0.322 0.000 1.154 178 I CB 2.178 40.023 38.000 -0.259 0.000 1.315 178 I HN 0.495 nan 8.210 nan 0.000 0.448 179 P HA 0.247 nan 4.420 nan 0.000 0.277 179 P C -0.146 176.983 177.300 -0.285 0.000 1.240 179 P CA -0.495 62.316 63.100 -0.481 0.000 0.798 179 P CB 1.466 32.620 31.700 -0.911 0.000 0.979 180 K N 0.074 120.353 120.400 -0.202 0.000 2.031 180 K HA 0.072 4.393 4.320 0.001 0.000 0.205 180 K C 0.380 176.913 176.600 -0.112 0.000 1.049 180 K CA 1.090 57.296 56.287 -0.136 0.000 0.939 180 K CB -0.024 32.418 32.500 -0.096 0.000 0.717 180 K HN 0.266 nan 8.250 nan 0.000 0.438 181 V N 1.573 121.414 119.914 -0.121 0.000 2.709 181 V HA 0.363 4.483 4.120 0.001 0.000 0.308 181 V C -0.669 175.355 176.094 -0.117 0.000 1.062 181 V CA -0.816 61.438 62.300 -0.077 0.000 0.901 181 V CB 2.138 33.938 31.823 -0.038 0.000 1.003 181 V HN 0.079 nan 8.190 nan 0.000 0.425 182 I N 3.042 123.548 120.570 -0.107 0.000 2.406 182 I HA 0.449 4.620 4.170 0.001 0.000 0.290 182 I C -0.673 175.323 176.117 -0.202 0.000 0.999 182 I CA -0.469 60.784 61.300 -0.077 0.000 1.124 182 I CB 1.624 39.644 38.000 0.033 0.000 1.289 182 I HN 0.743 nan 8.210 nan 0.000 0.441 183 H N 5.221 124.072 119.070 -0.365 0.000 2.459 183 H HA 0.657 5.214 4.556 0.001 0.000 0.332 183 H C -0.576 174.584 175.328 -0.281 0.000 1.094 183 H CA -0.247 55.566 56.048 -0.391 0.000 1.224 183 H CB 1.243 30.640 29.762 -0.608 0.000 1.449 183 H HN 0.624 nan 8.280 nan 0.000 0.484 184 S N 2.776 118.178 115.700 -0.496 0.000 2.651 184 S HA 0.343 4.814 4.470 0.001 0.000 0.279 184 S C -0.836 173.734 174.600 -0.049 0.000 1.148 184 S CA -0.936 57.104 58.200 -0.266 0.000 0.837 184 S CB 1.516 64.331 63.200 -0.642 0.000 1.138 184 S HN 0.763 nan 8.310 nan 0.000 0.478 185 D N 0.029 120.534 120.400 0.175 0.000 2.414 185 D HA 0.160 4.801 4.640 0.001 0.000 0.251 185 D C 0.208 176.706 176.300 0.329 0.000 1.252 185 D CA -0.373 53.770 54.000 0.240 0.000 0.999 185 D CB -0.033 40.895 40.800 0.213 0.000 1.093 185 D HN 0.651 nan 8.370 nan 0.000 0.515 186 Q N -0.641 119.253 119.800 0.156 0.000 2.244 186 Q HA 0.247 4.587 4.340 0.001 0.000 0.239 186 Q C 0.508 176.503 176.000 -0.008 0.000 0.890 186 Q CA -0.372 55.453 55.803 0.037 0.000 0.964 186 Q CB 0.310 28.977 28.738 -0.118 0.000 1.076 186 Q HN 0.548 nan 8.270 nan 0.000 0.447 187 G N 0.117 108.971 108.800 0.090 0.000 2.484 187 G HA2 0.145 4.106 3.960 0.001 0.000 0.235 187 G HA3 0.145 4.106 3.960 0.001 0.000 0.235 187 G C 0.999 175.770 174.900 -0.215 0.000 1.282 187 G CA 0.190 45.246 45.100 -0.074 0.000 0.857 187 G HN 0.350 nan 8.290 nan 0.000 0.571 188 A N 2.123 124.792 122.820 -0.252 0.000 1.958 188 A HA -0.026 4.294 4.320 0.001 0.000 0.221 188 A C 2.740 180.127 177.584 -0.327 0.000 1.178 188 A CA 2.690 54.580 52.037 -0.244 0.000 0.642 188 A CB -0.667 18.201 19.000 -0.220 0.000 0.816 188 A HN 1.475 nan 8.150 nan 0.000 0.453 189 A N -1.752 120.718 122.820 -0.582 0.000 2.067 189 A HA 0.158 4.479 4.320 0.001 0.000 0.219 189 A C 1.561 178.716 177.584 -0.713 0.000 1.158 189 A CA 1.383 52.990 52.037 -0.718 0.000 0.661 189 A CB -0.527 17.894 19.000 -0.965 0.000 0.801 189 A HN 0.531 nan 8.150 nan 0.000 0.452 190 F N -0.765 119.099 119.950 -0.144 0.000 2.720 190 F HA 0.125 4.652 4.527 0.001 0.000 0.301 190 F C 1.906 177.889 175.800 0.305 0.000 1.103 190 F CA 0.929 58.895 58.000 -0.057 0.000 1.291 190 F CB -0.474 38.581 39.000 0.093 0.000 1.086 190 F HN 0.139 nan 8.300 nan 0.000 0.592 191 T N -2.511 112.143 114.554 0.166 0.000 3.069 191 T HA 0.110 4.460 4.350 0.001 0.000 0.252 191 T C 0.868 175.590 174.700 0.038 0.000 1.053 191 T CA 0.138 62.236 62.100 -0.004 0.000 0.964 191 T CB -0.527 68.210 68.868 -0.217 0.000 1.005 191 T HN 0.125 nan 8.240 nan 0.000 0.532 192 S N 1.939 117.689 115.700 0.083 0.000 2.576 192 S HA 0.211 4.681 4.470 0.001 0.000 0.276 192 S C 1.588 176.276 174.600 0.148 0.000 1.339 192 S CA -0.092 58.151 58.200 0.071 0.000 1.039 192 S CB 1.215 64.440 63.200 0.042 0.000 0.902 192 S HN 0.380 nan 8.310 nan 0.000 0.516 193 S N 1.995 117.752 115.700 0.096 0.000 2.453 193 S HA -0.097 4.374 4.470 0.001 0.000 0.231 193 S C 1.602 176.280 174.600 0.131 0.000 1.005 193 S CA 1.027 59.288 58.200 0.102 0.000 0.949 193 S CB -1.295 61.940 63.200 0.057 0.000 0.774 193 S HN 0.824 nan 8.310 nan 0.000 0.510 194 T N 1.751 116.389 114.554 0.139 0.000 2.746 194 T HA -0.003 4.347 4.350 0.001 0.000 0.267 194 T C 1.256 176.116 174.700 0.266 0.000 1.039 194 T CA 1.277 63.474 62.100 0.162 0.000 1.142 194 T CB -0.536 68.408 68.868 0.128 0.000 0.866 194 T HN 0.427 nan 8.240 nan 0.000 0.444 195 F N 2.283 122.309 119.950 0.126 0.000 2.146 195 F HA 0.103 4.630 4.527 0.000 0.000 0.298 195 F C 2.514 178.471 175.800 0.262 0.000 1.096 195 F CA 0.507 58.622 58.000 0.192 0.000 1.275 195 F CB -0.918 38.193 39.000 0.186 0.000 1.008 195 F HN 0.148 nan 8.300 nan 0.000 0.480 196 A N -0.004 122.935 122.820 0.199 0.000 1.917 196 A HA -0.257 4.064 4.320 0.001 0.000 0.219 196 A C 2.183 179.772 177.584 0.008 0.000 1.182 196 A CA 2.132 54.210 52.037 0.069 0.000 0.633 196 A CB -0.936 18.128 19.000 0.107 0.000 0.819 196 A HN 0.545 nan 8.150 nan 0.000 0.448 197 E N -1.977 118.261 120.200 0.063 0.000 2.106 197 E HA -0.211 4.140 4.350 0.001 0.000 0.192 197 E C 1.763 178.373 176.600 0.017 0.000 0.984 197 E CA 1.091 57.511 56.400 0.033 0.000 0.806 197 E CB -0.239 29.496 29.700 0.058 0.000 0.750 197 E HN 0.870 nan 8.360 nan 0.000 0.458 198 W N 1.668 122.901 121.300 -0.112 0.000 2.335 198 W HA -0.240 4.420 4.660 0.000 0.000 0.311 198 W C 2.338 178.725 176.519 -0.220 0.000 1.213 198 W CA 2.261 59.525 57.345 -0.136 0.000 1.274 198 W CB -0.307 29.094 29.460 -0.097 0.000 1.148 198 W HN 0.011 nan 8.180 nan 0.000 0.498 199 A N 0.348 123.044 122.820 -0.207 0.000 1.902 199 A HA -0.225 4.095 4.320 0.001 0.000 0.217 199 A C 2.075 179.451 177.584 -0.347 0.000 1.181 199 A CA 1.996 53.793 52.037 -0.401 0.000 0.623 199 A CB -0.929 17.889 19.000 -0.304 0.000 0.818 199 A HN 0.403 nan 8.150 nan 0.000 0.443 200 K N -0.480 119.786 120.400 -0.224 0.000 2.103 200 K HA -0.139 4.181 4.320 0.001 0.000 0.204 200 K C 1.893 178.376 176.600 -0.195 0.000 1.052 200 K CA 1.339 57.525 56.287 -0.169 0.000 0.945 200 K CB -0.144 32.297 32.500 -0.098 0.000 0.722 200 K HN 0.553 nan 8.250 nan 0.000 0.443 201 E N 0.127 120.190 120.200 -0.228 0.000 2.147 201 E HA -0.210 4.140 4.350 0.001 0.000 0.199 201 E C 1.518 177.944 176.600 -0.291 0.000 1.005 201 E CA 1.577 57.833 56.400 -0.241 0.000 0.810 201 E CB 0.156 29.693 29.700 -0.271 0.000 0.736 201 E HN 0.215 nan 8.360 nan 0.000 0.460 202 R N -2.084 118.177 120.500 -0.399 0.000 2.397 202 R HA 0.191 4.531 4.340 0.001 0.000 0.241 202 R C 1.050 177.175 176.300 -0.291 0.000 0.914 202 R CA 0.487 56.350 56.100 -0.395 0.000 1.071 202 R CB 1.154 31.090 30.300 -0.606 0.000 1.116 202 R HN 0.220 nan 8.270 nan 0.000 0.524 203 G N 1.486 110.144 108.800 -0.237 0.000 2.159 203 G HA2 -0.261 3.700 3.960 0.001 0.000 0.256 203 G HA3 -0.261 3.700 3.960 0.001 0.000 0.256 203 G C 0.245 175.047 174.900 -0.163 0.000 0.977 203 G CA -0.117 44.882 45.100 -0.170 0.000 0.652 203 G HN 0.209 nan 8.290 nan 0.000 0.531 204 I N 1.482 121.920 120.570 -0.219 0.000 2.588 204 I HA 0.172 4.342 4.170 0.001 0.000 0.283 204 I C 0.893 176.939 176.117 -0.117 0.000 1.119 204 I CA -0.458 60.731 61.300 -0.185 0.000 1.419 204 I CB 0.678 38.531 38.000 -0.244 0.000 1.394 204 I HN 0.146 nan 8.210 nan 0.000 0.562 205 H N 7.175 126.150 119.070 -0.159 0.000 2.527 205 H HA 0.424 4.980 4.556 0.001 0.000 0.321 205 H C -1.085 174.143 175.328 -0.168 0.000 1.087 205 H CA -0.653 55.313 56.048 -0.137 0.000 1.337 205 H CB 1.387 31.083 29.762 -0.110 0.000 1.440 205 H HN 0.469 nan 8.280 nan 0.000 0.490 206 L N 4.426 125.202 121.223 -0.746 0.000 2.289 206 L HA 0.312 4.652 4.340 0.001 0.000 0.285 206 L C 0.217 176.595 176.870 -0.820 0.000 1.049 206 L CA -0.238 54.195 54.840 -0.678 0.000 0.804 206 L CB 1.396 43.133 42.059 -0.536 0.000 1.195 206 L HN 0.600 nan 8.230 nan 0.000 0.428 207 E N 3.088 122.850 120.200 -0.729 0.000 2.260 207 E HA 0.449 4.800 4.350 0.001 0.000 0.266 207 E C -1.724 174.437 176.600 -0.731 0.000 0.887 207 E CA -0.558 55.589 56.400 -0.422 0.000 0.777 207 E CB 1.464 31.122 29.700 -0.070 0.000 1.205 207 E HN 0.277 nan 8.360 nan 0.000 0.414 208 F N 1.407 121.227 119.950 -0.216 0.000 2.480 208 F HA 0.338 4.865 4.527 0.000 0.000 0.329 208 F C 0.612 176.290 175.800 -0.202 0.000 1.091 208 F CA -0.734 57.098 58.000 -0.281 0.000 0.972 208 F CB 1.868 40.811 39.000 -0.094 0.000 1.150 208 F HN 0.250 nan 8.300 nan 0.000 0.467 209 S N -0.298 115.413 115.700 0.019 0.000 2.576 209 S HA 0.277 4.748 4.470 0.001 0.000 0.276 209 S C -0.049 174.676 174.600 0.209 0.000 1.339 209 S CA -1.017 57.335 58.200 0.254 0.000 1.039 209 S CB 0.351 63.798 63.200 0.413 0.000 0.902 209 S HN 0.710 nan 8.310 nan 0.000 0.516 210 T N 0.594 115.269 114.554 0.201 0.000 2.934 210 T HA 0.191 4.542 4.350 0.001 0.000 0.321 210 T C -2.647 172.147 174.700 0.157 0.000 1.080 210 T CA -1.057 61.130 62.100 0.144 0.000 1.132 210 T CB -0.940 67.979 68.868 0.085 0.000 1.039 210 T HN 0.399 nan 8.240 nan 0.000 0.543 211 P HA 0.138 nan 4.420 nan 0.000 0.269 211 P C -0.382 177.053 177.300 0.225 0.000 1.209 211 P CA -0.342 62.801 63.100 0.073 0.000 0.776 211 P CB -0.227 31.549 31.700 0.127 0.000 0.876 212 Y N -0.496 119.893 120.300 0.149 0.000 3.037 212 Y HA -0.259 4.292 4.550 0.001 0.000 0.204 212 Y C 0.511 176.539 175.900 0.214 0.000 1.275 212 Y CA 1.070 59.258 58.100 0.146 0.000 1.066 212 Y CB -2.402 36.123 38.460 0.107 0.000 1.305 212 Y HN 0.549 nan 8.280 nan 0.000 0.499 213 H N 0.314 119.494 119.070 0.184 0.000 2.750 213 H HA 0.191 4.747 4.556 0.001 0.000 0.261 213 H C -2.368 173.046 175.328 0.143 0.000 1.387 213 H CA -1.618 54.526 56.048 0.160 0.000 1.557 213 H CB 1.549 31.406 29.762 0.158 0.000 1.756 213 H HN -0.008 nan 8.280 nan 0.000 0.580 214 P HA -0.039 nan 4.420 nan 0.000 0.233 214 P C 1.212 178.470 177.300 -0.070 0.000 1.167 214 P CA 0.537 63.643 63.100 0.009 0.000 0.770 214 P CB 0.487 32.206 31.700 0.032 0.000 0.837 215 Q N -0.069 119.568 119.800 -0.273 0.000 2.152 215 Q HA -0.141 4.199 4.340 0.001 0.000 0.206 215 Q C 2.262 178.227 176.000 -0.058 0.000 0.985 215 Q CA 1.962 57.632 55.803 -0.222 0.000 0.863 215 Q CB -1.161 27.364 28.738 -0.355 0.000 0.904 215 Q HN 0.191 nan 8.270 nan 0.000 0.422 216 S N -0.394 115.345 115.700 0.067 0.000 2.442 216 S HA -0.051 4.419 4.470 0.001 0.000 0.236 216 S C 1.264 175.962 174.600 0.164 0.000 1.007 216 S CA 0.985 59.322 58.200 0.228 0.000 0.965 216 S CB 0.011 63.467 63.200 0.427 0.000 0.773 216 S HN 0.227 nan 8.310 nan 0.000 0.504 217 S N 0.543 116.337 115.700 0.157 0.000 2.574 217 S HA 0.270 4.741 4.470 0.001 0.000 0.242 217 S C 1.745 176.328 174.600 -0.028 0.000 0.982 217 S CA -0.056 58.241 58.200 0.161 0.000 0.977 217 S CB 0.469 63.832 63.200 0.272 0.000 0.814 217 S HN 0.566 nan 8.310 nan 0.000 0.464 218 G N 2.919 111.658 108.800 -0.102 0.000 2.505 218 G HA2 -0.285 3.675 3.960 0.001 0.000 0.220 218 G HA3 -0.285 3.675 3.960 0.001 0.000 0.220 218 G C 1.667 176.447 174.900 -0.200 0.000 1.145 218 G CA 0.915 45.935 45.100 -0.133 0.000 0.761 218 G HN 0.322 nan 8.290 nan 0.000 0.571 219 K N 0.045 120.209 120.400 -0.394 0.000 2.034 219 K HA -0.117 4.204 4.320 0.001 0.000 0.214 219 K C 2.730 179.192 176.600 -0.231 0.000 1.051 219 K CA 1.633 57.661 56.287 -0.432 0.000 0.931 219 K CB -0.786 31.174 32.500 -0.901 0.000 0.715 219 K HN 0.366 nan 8.250 nan 0.000 0.446 220 V N 0.995 120.823 119.914 -0.143 0.000 2.488 220 V HA -0.100 4.021 4.120 0.001 0.000 0.246 220 V C 2.235 178.319 176.094 -0.017 0.000 1.046 220 V CA 1.223 63.514 62.300 -0.015 0.000 1.053 220 V CB -0.368 31.503 31.823 0.079 0.000 0.679 220 V HN 0.167 nan 8.190 nan 0.000 0.458 221 E N 0.804 120.993 120.200 -0.017 0.000 2.072 221 E HA -0.207 4.143 4.350 0.001 0.000 0.191 221 E C 2.365 178.948 176.600 -0.029 0.000 0.985 221 E CA 1.090 57.487 56.400 -0.005 0.000 0.801 221 E CB -0.325 29.375 29.700 -0.001 0.000 0.750 221 E HN 0.364 nan 8.360 nan 0.000 0.452 222 R N 1.753 122.221 120.500 -0.053 0.000 2.127 222 R HA -0.126 4.214 4.340 0.001 0.000 0.238 222 R C 1.953 178.220 176.300 -0.054 0.000 1.134 222 R CA 1.523 57.589 56.100 -0.057 0.000 0.975 222 R CB -0.301 29.955 30.300 -0.073 0.000 0.865 222 R HN -0.090 nan 8.270 nan 0.000 0.447 223 K N 0.155 120.520 120.400 -0.058 0.000 2.217 223 K HA 0.051 4.371 4.320 0.001 0.000 0.202 223 K C 1.428 177.998 176.600 -0.050 0.000 1.051 223 K CA 1.161 57.413 56.287 -0.058 0.000 0.952 223 K CB -0.090 32.373 32.500 -0.062 0.000 0.736 223 K HN 0.201 nan 8.250 nan 0.000 0.453 224 N N -0.103 118.576 118.700 -0.035 0.000 2.188 224 N HA -0.135 4.605 4.740 0.001 0.000 0.184 224 N C 1.664 177.150 175.510 -0.041 0.000 1.018 224 N CA 1.142 54.173 53.050 -0.031 0.000 0.858 224 N CB -0.572 37.910 38.487 -0.010 0.000 0.989 224 N HN 0.117 nan 8.380 nan 0.000 0.426 225 S N 1.006 116.684 115.700 -0.037 0.000 2.359 225 S HA -0.166 4.305 4.470 0.001 0.000 0.223 225 S C 1.300 175.874 174.600 -0.044 0.000 1.039 225 S CA 1.470 59.647 58.200 -0.038 0.000 1.042 225 S CB -0.238 62.941 63.200 -0.034 0.000 0.915 225 S HN 0.223 nan 8.310 nan 0.000 0.439 226 D N 0.917 121.288 120.400 -0.049 0.000 2.117 226 D HA -0.033 4.607 4.640 0.001 0.000 0.197 226 D C 1.945 178.211 176.300 -0.058 0.000 0.987 226 D CA 1.073 55.041 54.000 -0.053 0.000 0.829 226 D CB -0.459 40.306 40.800 -0.059 0.000 0.961 226 D HN 0.462 nan 8.370 nan 0.000 0.460 227 I N 1.010 121.541 120.570 -0.065 0.000 2.118 227 I HA -0.296 3.874 4.170 0.001 0.000 0.241 227 I C 2.403 178.481 176.117 -0.065 0.000 1.070 227 I CA 1.265 62.523 61.300 -0.069 0.000 1.327 227 I CB -0.264 37.691 38.000 -0.075 0.000 1.034 227 I HN -0.051 nan 8.210 nan 0.000 0.405 228 K N 0.368 120.727 120.400 -0.067 0.000 2.057 228 K HA -0.199 4.121 4.320 0.001 0.000 0.207 228 K C 2.303 178.873 176.600 -0.050 0.000 1.049 228 K CA 1.267 57.512 56.287 -0.071 0.000 0.931 228 K CB -0.255 32.203 32.500 -0.070 0.000 0.714 228 K HN 0.250 nan 8.250 nan 0.000 0.440 229 R N 1.019 121.493 120.500 -0.043 0.000 2.081 229 R HA -0.152 4.189 4.340 0.001 0.000 0.235 229 R C 2.346 178.628 176.300 -0.029 0.000 1.131 229 R CA 1.103 57.183 56.100 -0.033 0.000 0.960 229 R CB -0.250 30.030 30.300 -0.033 0.000 0.856 229 R HN 0.061 nan 8.270 nan 0.000 0.436 230 L N 0.965 122.168 121.223 -0.034 0.000 2.027 230 L HA -0.099 4.242 4.340 0.001 0.000 0.206 230 L C 2.016 178.877 176.870 -0.015 0.000 1.074 230 L CA 1.587 56.410 54.840 -0.029 0.000 0.745 230 L CB -0.476 41.560 42.059 -0.039 0.000 0.898 230 L HN 0.250 nan 8.230 nan 0.000 0.433 231 L N -1.149 120.065 121.223 -0.015 0.000 2.013 231 L HA -0.283 4.057 4.340 0.001 0.000 0.212 231 L C 2.371 179.250 176.870 0.016 0.000 1.073 231 L CA 1.997 56.844 54.840 0.011 0.000 0.753 231 L CB -1.166 40.895 42.059 0.003 0.000 0.890 231 L HN 0.294 nan 8.230 nan 0.000 0.432 232 T N -0.331 114.222 114.554 -0.003 0.000 2.607 232 T HA -0.270 4.080 4.350 0.001 0.000 0.267 232 T C 1.894 176.597 174.700 0.006 0.000 1.049 232 T CA 1.792 63.893 62.100 0.001 0.000 1.162 232 T CB -0.194 68.668 68.868 -0.010 0.000 0.863 232 T HN 0.281 nan 8.240 nan 0.000 0.424 233 K N 0.738 121.138 120.400 -0.001 0.000 2.032 233 K HA 0.020 4.341 4.320 0.001 0.000 0.209 233 K C 2.203 178.807 176.600 0.007 0.000 1.048 233 K CA 1.119 57.406 56.287 -0.001 0.000 0.927 233 K CB -0.419 32.077 32.500 -0.008 0.000 0.712 233 K HN 0.279 nan 8.250 nan 0.000 0.441 234 L N 0.777 122.006 121.223 0.010 0.000 2.450 234 L HA -0.126 4.214 4.340 0.001 0.000 0.224 234 L C 1.574 178.461 176.870 0.028 0.000 1.149 234 L CA 0.740 55.590 54.840 0.017 0.000 0.816 234 L CB -0.206 41.865 42.059 0.020 0.000 0.932 234 L HN 0.208 nan 8.230 nan 0.000 0.449 235 L N -1.202 120.040 121.223 0.033 0.000 2.766 235 L HA 0.164 4.504 4.340 0.001 0.000 0.242 235 L C 0.474 177.363 176.870 0.031 0.000 1.136 235 L CA -0.429 54.436 54.840 0.042 0.000 0.933 235 L CB 0.733 42.831 42.059 0.065 0.000 1.241 235 L HN -0.120 nan 8.230 nan 0.000 0.522 236 V N 1.178 121.105 119.914 0.021 0.000 2.694 236 V HA 0.167 4.288 4.120 0.001 0.000 0.306 236 V C 1.529 177.632 176.094 0.016 0.000 1.054 236 V CA 1.401 63.710 62.300 0.015 0.000 1.161 236 V CB 0.371 32.199 31.823 0.009 0.000 0.916 236 V HN 0.657 nan 8.190 nan 0.000 0.490 237 G N 4.752 113.561 108.800 0.015 0.000 2.990 237 G HA2 -0.264 3.697 3.960 0.001 0.000 0.225 237 G HA3 -0.264 3.697 3.960 0.001 0.000 0.225 237 G C 0.454 175.364 174.900 0.017 0.000 1.304 237 G CA 0.303 45.411 45.100 0.013 0.000 0.816 237 G HN 0.673 nan 8.290 nan 0.000 0.528 238 R N 1.634 122.146 120.500 0.021 0.000 2.615 238 R HA 0.473 4.813 4.340 0.001 0.000 0.270 238 R C -2.454 173.865 176.300 0.031 0.000 1.081 238 R CA -1.329 54.786 56.100 0.024 0.000 1.154 238 R CB -0.130 30.186 30.300 0.026 0.000 1.063 238 R HN 0.218 nan 8.270 nan 0.000 0.519 239 P HA -0.002 nan 4.420 nan 0.000 0.269 239 P C -0.182 177.151 177.300 0.054 0.000 1.209 239 P CA -0.016 63.105 63.100 0.035 0.000 0.776 239 P CB 0.430 32.144 31.700 0.023 0.000 0.876 240 T N -0.687 113.915 114.554 0.080 0.000 4.219 240 T HA 0.132 4.482 4.350 0.001 0.000 0.263 240 T C 0.298 175.086 174.700 0.147 0.000 1.217 240 T CA -0.439 61.748 62.100 0.145 0.000 1.145 240 T CB -0.928 68.055 68.868 0.191 0.000 1.298 240 T HN 0.196 nan 8.240 nan 0.000 0.999 241 K N 2.856 123.301 120.400 0.075 0.000 2.333 241 K HA 0.140 4.461 4.320 0.001 0.000 0.241 241 K C 1.165 177.770 176.600 0.008 0.000 1.193 241 K CA -0.660 55.613 56.287 -0.023 0.000 1.142 241 K CB 0.025 32.513 32.500 -0.020 0.000 1.731 241 K HN 0.779 nan 8.250 nan 0.000 0.344 242 W N 0.710 122.050 121.300 0.066 0.000 2.467 242 W HA -0.182 4.478 4.660 0.001 0.000 0.275 242 W C 1.146 177.702 176.519 0.062 0.000 1.239 242 W CA 0.146 57.520 57.345 0.049 0.000 1.266 242 W CB -0.882 28.599 29.460 0.034 0.000 1.112 242 W HN 0.407 nan 8.180 nan 0.000 0.576 243 Y N 2.990 122.932 120.300 -0.597 0.000 2.151 243 Y HA -0.284 4.267 4.550 0.001 0.000 0.284 243 Y C 2.050 177.838 175.900 -0.186 0.000 1.166 243 Y CA 2.595 60.389 58.100 -0.510 0.000 1.163 243 Y CB -0.564 37.496 38.460 -0.668 0.000 0.974 243 Y HN -0.210 nan 8.280 nan 0.000 0.511 244 D N -0.034 120.403 120.400 0.060 0.000 2.269 244 D HA -0.095 4.546 4.640 0.001 0.000 0.208 244 D C 1.985 178.273 176.300 -0.021 0.000 0.963 244 D CA 0.997 55.013 54.000 0.027 0.000 0.864 244 D CB -0.065 40.769 40.800 0.057 0.000 0.936 244 D HN 0.439 nan 8.370 nan 0.000 0.505 245 L N 0.080 121.313 121.223 0.016 0.000 2.341 245 L HA 0.036 4.376 4.340 0.001 0.000 0.214 245 L C 2.366 179.233 176.870 -0.006 0.000 1.115 245 L CA 0.041 54.895 54.840 0.023 0.000 0.820 245 L CB -0.040 42.059 42.059 0.067 0.000 0.944 245 L HN 0.003 nan 8.230 nan 0.000 0.452 246 L N 0.346 121.560 121.223 -0.016 0.000 2.010 246 L HA -0.237 4.104 4.340 0.001 0.000 0.219 246 L C -0.084 176.728 176.870 -0.097 0.000 1.077 246 L CA 2.030 56.840 54.840 -0.049 0.000 0.773 246 L CB -1.979 40.029 42.059 -0.085 0.000 0.892 246 L HN 0.259 nan 8.230 nan 0.000 0.436 247 P HA -0.141 nan 4.420 nan 0.000 0.214 247 P C 1.932 179.183 177.300 -0.082 0.000 1.163 247 P CA 1.329 64.368 63.100 -0.102 0.000 0.883 247 P CB -0.071 31.578 31.700 -0.085 0.000 0.788 248 V N -0.343 119.535 119.914 -0.060 0.000 2.250 248 V HA -0.263 3.857 4.120 0.001 0.000 0.250 248 V C 2.485 178.541 176.094 -0.063 0.000 1.060 248 V CA 2.183 64.454 62.300 -0.049 0.000 1.030 248 V CB -1.709 30.097 31.823 -0.029 0.000 0.643 248 V HN -0.035 nan 8.190 nan 0.000 0.445 249 V N -0.273 119.604 119.914 -0.062 0.000 2.261 249 V HA -0.369 3.751 4.120 0.001 0.000 0.246 249 V C 2.522 178.544 176.094 -0.120 0.000 1.047 249 V CA 2.502 64.757 62.300 -0.074 0.000 1.015 249 V CB -0.770 31.019 31.823 -0.056 0.000 0.642 249 V HN 0.656 nan 8.190 nan 0.000 0.446 250 Q N -0.435 119.279 119.800 -0.144 0.000 2.062 250 Q HA -0.273 4.067 4.340 0.001 0.000 0.209 250 Q C 2.358 178.210 176.000 -0.246 0.000 0.996 250 Q CA 2.382 58.054 55.803 -0.218 0.000 0.859 250 Q CB -0.256 28.348 28.738 -0.222 0.000 0.920 250 Q HN 0.608 nan 8.270 nan 0.000 0.415 251 L N -0.122 120.998 121.223 -0.172 0.000 1.994 251 L HA -0.199 4.141 4.340 0.001 0.000 0.208 251 L C 2.490 179.273 176.870 -0.144 0.000 1.071 251 L CA 1.389 56.141 54.840 -0.146 0.000 0.745 251 L CB -0.648 41.360 42.059 -0.085 0.000 0.892 251 L HN 0.440 nan 8.230 nan 0.000 0.431 252 A N -0.037 122.715 122.820 -0.113 0.000 1.892 252 A HA -0.248 4.073 4.320 0.001 0.000 0.218 252 A C 2.156 179.670 177.584 -0.116 0.000 1.188 252 A CA 1.769 53.750 52.037 -0.093 0.000 0.631 252 A CB -0.854 18.104 19.000 -0.069 0.000 0.822 252 A HN 0.472 nan 8.150 nan 0.000 0.447 253 L N -0.570 120.564 121.223 -0.147 0.000 2.083 253 L HA -0.181 4.159 4.340 0.001 0.000 0.209 253 L C 2.163 178.906 176.870 -0.211 0.000 1.083 253 L CA 1.251 55.993 54.840 -0.163 0.000 0.752 253 L CB -0.625 41.330 42.059 -0.173 0.000 0.899 253 L HN 0.385 nan 8.230 nan 0.000 0.433 254 N N 0.096 118.614 118.700 -0.304 0.000 2.309 254 N HA -0.111 4.630 4.740 0.001 0.000 0.182 254 N C 1.028 176.439 175.510 -0.164 0.000 1.018 254 N CA 0.859 53.674 53.050 -0.391 0.000 0.876 254 N CB -0.161 37.866 38.487 -0.768 0.000 0.972 254 N HN 0.362 nan 8.380 nan 0.000 0.434 255 N N -0.045 118.570 118.700 -0.142 0.000 2.279 255 N HA 0.045 4.785 4.740 0.001 0.000 0.226 255 N C -0.462 174.962 175.510 -0.143 0.000 1.126 255 N CA 0.161 53.135 53.050 -0.127 0.000 0.846 255 N CB 0.669 39.075 38.487 -0.135 0.000 1.050 255 N HN -0.013 nan 8.380 nan 0.000 0.502 256 T N 0.863 115.341 114.554 -0.126 0.000 2.806 256 T HA 0.236 4.587 4.350 0.001 0.000 0.290 256 T C -0.119 174.537 174.700 -0.073 0.000 0.966 256 T CA -0.185 61.872 62.100 -0.072 0.000 1.060 256 T CB 0.644 69.479 68.868 -0.055 0.000 0.927 256 T HN 0.013 nan 8.240 nan 0.000 0.485 257 Y N 1.960 122.241 120.300 -0.032 0.000 2.425 257 Y HA 0.221 4.771 4.550 0.001 0.000 0.331 257 Y C 1.205 177.087 175.900 -0.029 0.000 1.157 257 Y CA 0.148 58.233 58.100 -0.025 0.000 1.372 257 Y CB 0.745 39.171 38.460 -0.056 0.000 1.253 257 Y HN 0.503 nan 8.280 nan 0.000 0.536 258 S N 5.759 121.544 115.700 0.142 0.000 2.416 258 S HA 0.227 4.697 4.470 0.001 0.000 0.287 258 S C -1.730 172.913 174.600 0.072 0.000 1.139 258 S CA -1.582 56.668 58.200 0.083 0.000 1.058 258 S CB 0.686 63.929 63.200 0.073 0.000 0.967 258 S HN 0.437 nan 8.310 nan 0.000 0.495 259 P HA -0.140 nan 4.420 nan 0.000 0.217 259 P C 1.440 178.708 177.300 -0.053 0.000 1.151 259 P CA 0.667 63.749 63.100 -0.031 0.000 0.849 259 P CB 0.141 31.811 31.700 -0.049 0.000 0.787 260 V N -1.319 118.565 119.914 -0.051 0.000 2.719 260 V HA -0.087 4.034 4.120 0.001 0.000 0.252 260 V C 1.873 177.954 176.094 -0.021 0.000 1.065 260 V CA 1.357 63.597 62.300 -0.100 0.000 1.086 260 V CB -0.712 31.006 31.823 -0.175 0.000 0.700 260 V HN 0.007 nan 8.190 nan 0.000 0.467 261 L N -0.571 120.692 121.223 0.066 0.000 2.249 261 L HA 0.189 4.530 4.340 0.001 0.000 0.207 261 L C 1.326 178.269 176.870 0.122 0.000 1.090 261 L CA 0.533 55.478 54.840 0.174 0.000 0.802 261 L CB -0.186 42.018 42.059 0.241 0.000 0.947 261 L HN 0.217 nan 8.230 nan 0.000 0.453 262 K N -0.784 119.611 120.400 -0.008 0.000 3.230 262 K HA -0.212 4.108 4.320 0.001 0.000 0.285 262 K C -1.247 175.096 176.600 -0.428 0.000 1.196 262 K CA 0.829 56.991 56.287 -0.209 0.000 0.838 262 K CB -2.250 30.041 32.500 -0.347 0.000 1.262 262 K HN 0.265 nan 8.250 nan 0.000 0.492 263 Y N -0.514 119.940 120.300 0.256 0.000 2.562 263 Y HA 0.301 4.852 4.550 0.001 0.000 0.345 263 Y C 0.824 176.674 175.900 -0.083 0.000 1.045 263 Y CA -0.684 57.481 58.100 0.108 0.000 1.028 263 Y CB 1.592 40.095 38.460 0.071 0.000 1.297 263 Y HN 0.107 nan 8.280 nan 0.000 0.463 264 T N -1.670 112.808 114.554 -0.125 0.000 2.918 264 T HA 0.345 4.695 4.350 0.001 0.000 0.283 264 T C -2.344 172.372 174.700 0.026 0.000 1.001 264 T CA -2.220 59.790 62.100 -0.149 0.000 1.041 264 T CB 1.871 70.565 68.868 -0.289 0.000 1.028 264 T HN 0.263 nan 8.240 nan 0.000 0.511 265 P HA -0.119 nan 4.420 nan 0.000 0.215 265 P C 1.312 178.744 177.300 0.220 0.000 1.153 265 P CA 1.343 64.490 63.100 0.078 0.000 0.853 265 P CB -0.165 31.526 31.700 -0.014 0.000 0.788 266 H N -0.064 119.132 119.070 0.211 0.000 2.289 266 H HA -0.189 4.368 4.556 0.001 0.000 0.296 266 H C 2.112 177.592 175.328 0.254 0.000 1.091 266 H CA 2.079 58.368 56.048 0.401 0.000 1.274 266 H CB -0.444 29.521 29.762 0.338 0.000 1.364 266 H HN 0.036 nan 8.280 nan 0.000 0.490 267 Q N -0.061 119.938 119.800 0.332 0.000 2.112 267 Q HA -0.174 4.167 4.340 0.001 0.000 0.206 267 Q C 2.544 178.566 176.000 0.037 0.000 0.987 267 Q CA 2.018 57.950 55.803 0.214 0.000 0.858 267 Q CB -0.096 28.768 28.738 0.210 0.000 0.905 267 Q HN 0.537 nan 8.270 nan 0.000 0.420 268 L N -0.358 120.854 121.223 -0.018 0.000 2.141 268 L HA -0.161 4.180 4.340 0.001 0.000 0.209 268 L C 2.208 178.961 176.870 -0.194 0.000 1.094 268 L CA 0.300 55.071 54.840 -0.116 0.000 0.763 268 L CB -0.299 41.709 42.059 -0.084 0.000 0.908 268 L HN 0.274 nan 8.230 nan 0.000 0.437 269 L N -0.871 120.168 121.223 -0.306 0.000 2.072 269 L HA -0.081 4.260 4.340 0.001 0.000 0.205 269 L C 1.827 178.295 176.870 -0.671 0.000 1.079 269 L CA 1.972 56.419 54.840 -0.655 0.000 0.752 269 L CB -0.274 41.072 42.059 -1.188 0.000 0.906 269 L HN 0.059 nan 8.230 nan 0.000 0.436 270 F N -1.580 118.217 119.950 -0.255 0.000 2.712 270 F HA 0.383 4.910 4.527 0.001 0.000 0.297 270 F C 1.846 177.593 175.800 -0.087 0.000 1.114 270 F CA 0.393 58.273 58.000 -0.199 0.000 1.305 270 F CB -0.016 38.790 39.000 -0.323 0.000 1.086 270 F HN 0.088 nan 8.300 nan 0.000 0.599 271 G N 2.040 110.901 108.800 0.101 0.000 2.184 271 G HA2 -0.320 3.641 3.960 0.001 0.000 0.264 271 G HA3 -0.320 3.641 3.960 0.001 0.000 0.264 271 G C 0.152 175.131 174.900 0.131 0.000 0.975 271 G CA 0.570 45.717 45.100 0.079 0.000 0.642 271 G HN 0.546 nan 8.290 nan 0.000 0.536 272 I N -3.684 117.004 120.570 0.196 0.000 2.918 272 I HA 0.684 4.855 4.170 0.001 0.000 0.301 272 I C -1.252 175.055 176.117 0.316 0.000 1.312 272 I CA -1.405 60.015 61.300 0.199 0.000 1.007 272 I CB 1.784 39.864 38.000 0.135 0.000 1.281 272 I HN -0.163 nan 8.210 nan 0.000 0.440 273 D N 2.982 123.512 120.400 0.216 0.000 2.362 273 D HA 0.298 4.938 4.640 0.001 0.000 0.242 273 D C 0.066 176.393 176.300 0.045 0.000 1.132 273 D CA 0.167 54.226 54.000 0.097 0.000 0.907 273 D CB 1.732 42.537 40.800 0.007 0.000 1.195 273 D HN 0.604 nan 8.370 nan 0.000 0.429 274 S N 0.165 115.764 115.700 -0.169 0.000 2.598 274 S HA 0.024 4.494 4.470 0.001 0.000 0.267 274 S C 0.475 175.021 174.600 -0.090 0.000 1.189 274 S CA -0.517 57.615 58.200 -0.113 0.000 1.010 274 S CB 0.312 63.402 63.200 -0.183 0.000 1.084 274 S HN 0.423 nan 8.310 nan 0.000 0.541 275 N N 1.409 120.068 118.700 -0.067 0.000 3.178 275 N HA 0.170 4.910 4.740 0.001 0.000 0.300 275 N C -0.547 174.928 175.510 -0.057 0.000 1.242 275 N CA -0.171 52.848 53.050 -0.051 0.000 1.192 275 N CB -0.718 37.747 38.487 -0.037 0.000 1.463 275 N HN 0.577 nan 8.380 nan 0.000 0.539 276 T N -1.382 113.131 114.554 -0.068 0.000 2.949 276 T HA 0.608 4.959 4.350 0.001 0.000 0.287 276 T C -2.591 172.100 174.700 -0.014 0.000 1.034 276 T CA -2.051 60.020 62.100 -0.049 0.000 1.018 276 T CB 1.073 69.895 68.868 -0.076 0.000 1.135 276 T HN 0.008 nan 8.240 nan 0.000 0.532 277 P HA 0.273 nan 4.420 nan 0.000 0.266 277 P C -0.285 177.130 177.300 0.191 0.000 1.195 277 P CA 0.039 63.166 63.100 0.046 0.000 0.768 277 P CB -0.311 31.490 31.700 0.168 0.000 0.838 278 F N -1.422 118.528 119.950 0.000 0.000 3.091 278 F HA -0.239 4.289 4.527 0.001 0.000 0.288 278 F C 0.875 176.695 175.800 0.032 0.000 0.907 278 F CA 0.404 58.414 58.000 0.018 0.000 1.028 278 F CB -2.129 36.889 39.000 0.031 0.000 1.022 278 F HN 0.294 nan 8.300 nan 0.000 0.665 279 A N 0.880 123.762 122.820 0.102 0.000 2.477 279 A HA 0.289 4.609 4.320 0.001 0.000 0.246 279 A C 0.714 178.359 177.584 0.101 0.000 1.078 279 A CA -0.170 51.913 52.037 0.077 0.000 0.770 279 A CB 0.233 19.243 19.000 0.016 0.000 1.011 279 A HN 0.448 nan 8.150 nan 0.000 0.494 280 N N 1.840 120.617 118.700 0.128 0.000 2.497 280 N HA 0.035 4.776 4.740 0.001 0.000 0.268 280 N C 0.199 175.769 175.510 0.100 0.000 1.171 280 N CA 0.296 53.428 53.050 0.138 0.000 0.948 280 N CB 0.723 39.325 38.487 0.191 0.000 1.069 280 N HN 0.705 nan 8.380 nan 0.000 0.460 281 Q N 1.434 121.285 119.800 0.083 0.000 2.171 281 Q HA 0.097 4.438 4.340 0.001 0.000 0.218 281 Q C 0.030 176.069 176.000 0.063 0.000 0.822 281 Q CA -0.364 55.477 55.803 0.063 0.000 0.987 281 Q CB 0.657 29.421 28.738 0.044 0.000 1.144 281 Q HN 0.585 nan 8.270 nan 0.000 0.494 282 D N 1.155 121.601 120.400 0.077 0.000 2.322 282 D HA -0.136 4.504 4.640 0.001 0.000 0.210 282 D C 1.313 177.652 176.300 0.065 0.000 0.983 282 D CA 1.687 55.730 54.000 0.071 0.000 0.902 282 D CB 0.025 40.877 40.800 0.087 0.000 0.905 282 D HN 0.349 nan 8.370 nan 0.000 0.483 283 T N -2.484 112.110 114.554 0.068 0.000 3.266 283 T HA 0.212 4.562 4.350 0.001 0.000 0.278 283 T C 1.431 176.160 174.700 0.049 0.000 1.010 283 T CA -0.399 61.737 62.100 0.060 0.000 0.909 283 T CB -0.031 68.879 68.868 0.070 0.000 1.122 283 T HN -0.139 nan 8.240 nan 0.000 0.536 284 L N 1.509 122.758 121.223 0.043 0.000 2.191 284 L HA 0.074 4.414 4.340 0.001 0.000 0.212 284 L C 1.613 178.501 176.870 0.029 0.000 1.103 284 L CA 1.640 56.500 54.840 0.034 0.000 0.769 284 L CB -0.172 41.904 42.059 0.029 0.000 0.908 284 L HN 0.289 nan 8.230 nan 0.000 0.438 285 D N -1.411 119.006 120.400 0.029 0.000 2.367 285 D HA 0.136 4.776 4.640 0.001 0.000 0.207 285 D C 0.724 177.039 176.300 0.025 0.000 1.034 285 D CA 0.118 54.133 54.000 0.024 0.000 0.861 285 D CB 0.390 41.203 40.800 0.022 0.000 0.943 285 D HN 0.210 nan 8.370 nan 0.000 0.515 286 L N 1.754 122.995 121.223 0.030 0.000 2.397 286 L HA 0.125 4.466 4.340 0.001 0.000 0.271 286 L C 1.285 178.172 176.870 0.027 0.000 1.148 286 L CA -0.311 54.547 54.840 0.029 0.000 0.825 286 L CB 0.823 42.902 42.059 0.034 0.000 1.117 286 L HN -0.042 nan 8.230 nan 0.000 0.456 287 T N -0.964 113.604 114.554 0.024 0.000 2.813 287 T HA 0.082 4.433 4.350 0.001 0.000 0.297 287 T C 1.089 175.805 174.700 0.026 0.000 1.036 287 T CA -0.610 61.504 62.100 0.022 0.000 1.044 287 T CB 1.081 69.960 68.868 0.019 0.000 0.993 287 T HN 0.577 nan 8.240 nan 0.000 0.535 288 R N 0.777 121.293 120.500 0.026 0.000 2.103 288 R HA -0.141 4.200 4.340 0.001 0.000 0.242 288 R C 2.264 178.580 176.300 0.028 0.000 1.142 288 R CA 2.213 58.331 56.100 0.030 0.000 0.960 288 R CB -1.062 29.256 30.300 0.029 0.000 0.858 288 R HN 0.922 nan 8.270 nan 0.000 0.439 289 E N -0.106 120.107 120.200 0.022 0.000 2.031 289 E HA -0.209 4.141 4.350 0.001 0.000 0.193 289 E C 1.937 178.548 176.600 0.019 0.000 0.994 289 E CA 1.708 58.119 56.400 0.019 0.000 0.800 289 E CB -0.080 29.629 29.700 0.015 0.000 0.752 289 E HN 0.515 nan 8.360 nan 0.000 0.447 290 E N 0.619 120.831 120.200 0.020 0.000 2.049 290 E HA -0.261 4.090 4.350 0.001 0.000 0.198 290 E C 2.129 178.743 176.600 0.024 0.000 1.007 290 E CA 1.197 57.610 56.400 0.021 0.000 0.809 290 E CB -0.137 29.576 29.700 0.022 0.000 0.749 290 E HN 0.247 nan 8.360 nan 0.000 0.450 291 E N 0.714 120.932 120.200 0.030 0.000 2.086 291 E HA -0.228 4.123 4.350 0.001 0.000 0.200 291 E C 2.087 178.703 176.600 0.028 0.000 1.012 291 E CA 0.986 57.407 56.400 0.035 0.000 0.812 291 E CB -0.067 29.659 29.700 0.043 0.000 0.743 291 E HN 0.214 nan 8.360 nan 0.000 0.453 292 L N 0.219 121.457 121.223 0.024 0.000 2.291 292 L HA -0.110 4.230 4.340 0.001 0.000 0.214 292 L C 2.443 179.317 176.870 0.006 0.000 1.120 292 L CA 1.189 56.039 54.840 0.017 0.000 0.799 292 L CB -0.153 41.918 42.059 0.020 0.000 0.925 292 L HN 0.249 nan 8.230 nan 0.000 0.446 293 S N -1.206 114.499 115.700 0.008 0.000 2.492 293 S HA -0.067 4.403 4.470 0.001 0.000 0.218 293 S C 1.776 176.378 174.600 0.003 0.000 1.016 293 S CA -0.097 58.105 58.200 0.004 0.000 0.916 293 S CB -0.137 63.066 63.200 0.006 0.000 0.791 293 S HN 0.254 nan 8.310 nan 0.000 0.513 294 L N 1.036 122.265 121.223 0.010 0.000 2.083 294 L HA 0.121 4.462 4.340 0.001 0.000 0.209 294 L C 2.223 179.086 176.870 -0.012 0.000 1.083 294 L CA 1.281 56.127 54.840 0.011 0.000 0.752 294 L CB -0.611 41.466 42.059 0.029 0.000 0.899 294 L HN 0.400 nan 8.230 nan 0.000 0.433 295 L N -0.641 120.570 121.223 -0.021 0.000 2.046 295 L HA -0.242 4.098 4.340 0.001 0.000 0.208 295 L C 2.460 179.293 176.870 -0.062 0.000 1.077 295 L CA 1.804 56.611 54.840 -0.056 0.000 0.747 295 L CB -0.671 41.364 42.059 -0.040 0.000 0.896 295 L HN 0.397 nan 8.230 nan 0.000 0.432 296 Q N -0.964 118.814 119.800 -0.036 0.000 2.170 296 Q HA -0.261 4.080 4.340 0.001 0.000 0.203 296 Q C 2.074 178.054 176.000 -0.033 0.000 0.976 296 Q CA 1.662 57.445 55.803 -0.033 0.000 0.858 296 Q CB -0.111 28.615 28.738 -0.019 0.000 0.907 296 Q HN 0.531 nan 8.270 nan 0.000 0.433 297 E N 1.044 121.229 120.200 -0.026 0.000 2.107 297 E HA -0.115 4.235 4.350 0.001 0.000 0.191 297 E C 1.600 178.184 176.600 -0.027 0.000 0.982 297 E CA 0.919 57.310 56.400 -0.016 0.000 0.809 297 E CB -0.160 29.541 29.700 0.001 0.000 0.756 297 E HN 0.336 nan 8.360 nan 0.000 0.459 298 I N 0.175 120.707 120.570 -0.064 0.000 2.286 298 I HA -0.232 3.939 4.170 0.001 0.000 0.248 298 I C 2.450 178.489 176.117 -0.130 0.000 1.115 298 I CA 1.085 62.309 61.300 -0.127 0.000 1.392 298 I CB -0.116 37.702 38.000 -0.303 0.000 1.065 298 I HN 0.063 nan 8.210 nan 0.000 0.418 299 R N -0.086 120.344 120.500 -0.116 0.000 2.115 299 R HA -0.128 4.213 4.340 0.001 0.000 0.230 299 R C 2.253 178.526 176.300 -0.045 0.000 1.111 299 R CA 1.913 57.960 56.100 -0.088 0.000 0.976 299 R CB -0.468 29.783 30.300 -0.082 0.000 0.870 299 R HN 0.482 nan 8.270 nan 0.000 0.445 300 T N -2.286 112.248 114.554 -0.034 0.000 3.067 300 T HA -0.012 4.338 4.350 0.001 0.000 0.261 300 T C 1.624 176.322 174.700 -0.003 0.000 1.110 300 T CA 0.851 62.938 62.100 -0.022 0.000 1.113 300 T CB 0.136 68.992 68.868 -0.020 0.000 0.917 300 T HN 0.178 nan 8.240 nan 0.000 0.499 301 S N 0.463 116.171 115.700 0.013 0.000 2.557 301 S HA 0.390 4.860 4.470 0.001 0.000 0.223 301 S C 0.410 175.060 174.600 0.084 0.000 0.969 301 S CA -0.795 57.432 58.200 0.044 0.000 0.927 301 S CB -0.672 62.560 63.200 0.053 0.000 0.806 301 S HN 0.478 nan 8.310 nan 0.000 0.489 302 L N 2.706 123.978 121.223 0.081 0.000 2.416 302 L HA 0.295 4.635 4.340 0.001 0.000 0.272 302 L C 0.499 177.473 176.870 0.173 0.000 1.161 302 L CA -0.966 53.960 54.840 0.143 0.000 0.845 302 L CB 0.082 42.212 42.059 0.118 0.000 1.119 302 L HN 0.346 nan 8.230 nan 0.000 0.464 303 Y N 3.171 123.528 120.300 0.095 0.000 2.996 303 Y HA -0.181 4.369 4.550 0.001 0.000 0.347 303 Y C -0.200 175.775 175.900 0.125 0.000 1.276 303 Y CA 0.362 58.514 58.100 0.087 0.000 1.601 303 Y CB -0.147 38.347 38.460 0.057 0.000 1.193 303 Y HN 0.432 nan 8.280 nan 0.000 0.582 304 H N 7.969 126.604 119.070 -0.725 0.000 2.727 304 H HA 0.451 5.007 4.556 0.001 0.000 0.330 304 H C -2.464 172.314 175.328 -0.916 0.000 0.986 304 H CA -2.351 53.274 56.048 -0.705 0.000 1.251 304 H CB 1.010 30.594 29.762 -0.296 0.000 1.493 304 H HN 0.522 nan 8.280 nan 0.000 0.515 305 P HA 0.096 nan 4.420 nan 0.000 0.269 305 P C -0.616 176.447 177.300 -0.396 0.000 1.209 305 P CA -0.287 62.432 63.100 -0.634 0.000 0.776 305 P CB 1.170 32.647 31.700 -0.371 0.000 0.876 306 S N 0.242 115.847 115.700 -0.159 0.000 2.747 306 S HA 0.538 5.009 4.470 0.001 0.000 0.300 306 S C 0.162 174.731 174.600 -0.052 0.000 1.121 306 S CA -0.621 57.531 58.200 -0.080 0.000 0.995 306 S CB 0.609 63.793 63.200 -0.025 0.000 1.113 306 S HN 0.661 nan 8.310 nan 0.000 0.547 307 T N -0.342 114.196 114.554 -0.026 0.000 2.907 307 T HA 0.527 4.877 4.350 0.001 0.000 0.298 307 T C -2.583 172.111 174.700 -0.009 0.000 1.017 307 T CA -1.133 60.956 62.100 -0.018 0.000 1.118 307 T CB -0.337 68.526 68.868 -0.009 0.000 0.948 307 T HN 0.465 nan 8.240 nan 0.000 0.531 308 P HA 0.353 nan 4.420 nan 0.000 0.272 308 P C -2.452 174.849 177.300 0.002 0.000 1.240 308 P CA -1.351 61.750 63.100 0.001 0.000 0.791 308 P CB -0.720 30.982 31.700 0.003 0.000 0.978 309 P HA 0.131 nan 4.420 nan 0.000 0.267 309 P C -0.588 176.715 177.300 0.006 0.000 1.200 309 P CA 0.024 63.128 63.100 0.006 0.000 0.772 309 P CB 0.166 31.872 31.700 0.009 0.000 0.855 310 A N 2.464 125.286 122.820 0.004 0.000 2.483 310 A HA 0.386 4.707 4.320 0.001 0.000 0.238 310 A C 0.734 178.327 177.584 0.014 0.000 1.070 310 A CA 0.005 52.044 52.037 0.005 0.000 0.770 310 A CB -0.433 18.568 19.000 0.002 0.000 1.008 310 A HN 0.621 nan 8.150 nan 0.000 0.497 311 S N 1.372 117.084 115.700 0.021 0.000 2.632 311 S HA 0.258 4.729 4.470 0.001 0.000 0.267 311 S C 1.171 175.791 174.600 0.032 0.000 1.276 311 S CA -0.020 58.197 58.200 0.028 0.000 0.998 311 S CB 0.918 64.140 63.200 0.036 0.000 0.953 311 S HN 0.920 nan 8.310 nan 0.000 0.547 312 S N 1.222 116.940 115.700 0.031 0.000 2.407 312 S HA -0.137 4.333 4.470 0.001 0.000 0.235 312 S C 0.993 175.617 174.600 0.039 0.000 1.036 312 S CA 1.222 59.440 58.200 0.031 0.000 1.013 312 S CB -0.498 62.719 63.200 0.027 0.000 0.820 312 S HN 0.766 nan 8.310 nan 0.000 0.476 313 R N 1.588 122.118 120.500 0.050 0.000 2.782 313 R HA 0.260 4.600 4.340 0.001 0.000 0.293 313 R C -0.566 175.794 176.300 0.101 0.000 1.333 313 R CA -0.133 56.005 56.100 0.064 0.000 1.479 313 R CB 0.936 31.267 30.300 0.053 0.000 1.306 313 R HN 0.418 nan 8.270 nan 0.000 0.654 314 S N 0.029 115.789 115.700 0.100 0.000 2.713 314 S HA 0.585 5.055 4.470 0.001 0.000 0.283 314 S C -0.272 174.452 174.600 0.207 0.000 1.161 314 S CA -0.792 57.486 58.200 0.130 0.000 0.999 314 S CB 1.359 64.585 63.200 0.042 0.000 1.039 314 S HN 0.463 nan 8.310 nan 0.000 0.548 315 W N -0.413 120.890 121.300 0.005 0.000 2.936 315 W HA 0.754 5.415 4.660 0.001 0.000 0.338 315 W C -1.538 174.985 176.519 0.007 0.000 1.121 315 W CA -1.027 56.318 57.345 -0.001 0.000 1.209 315 W CB 0.760 30.212 29.460 -0.013 0.000 1.420 315 W HN 0.582 nan 8.180 nan 0.000 0.516 316 S N 3.169 118.842 115.700 -0.045 0.000 2.566 316 S HA 0.645 5.116 4.470 0.001 0.000 0.298 316 S C -2.467 172.105 174.600 -0.047 0.000 1.083 316 S CA -1.089 56.943 58.200 -0.280 0.000 0.978 316 S CB 2.349 65.451 63.200 -0.164 0.000 1.073 316 S HN 0.269 nan 8.310 nan 0.000 0.491 317 P HA 0.399 nan 4.420 nan 0.000 0.279 317 P C -1.307 176.049 177.300 0.093 0.000 1.239 317 P CA -0.352 62.811 63.100 0.105 0.000 0.789 317 P CB 0.724 32.428 31.700 0.007 0.000 0.933 318 V N 3.773 123.770 119.914 0.138 0.000 2.588 318 V HA 0.127 4.248 4.120 0.001 0.000 0.304 318 V C 0.315 176.456 176.094 0.078 0.000 1.042 318 V CA -1.002 61.350 62.300 0.087 0.000 0.877 318 V CB 2.269 34.144 31.823 0.086 0.000 0.996 318 V HN 0.306 nan 8.190 nan 0.000 0.425 319 V N 4.820 124.767 119.914 0.055 0.000 2.584 319 V HA 0.323 4.443 4.120 0.001 0.000 0.303 319 V C 1.548 177.669 176.094 0.045 0.000 1.035 319 V CA 1.884 64.213 62.300 0.048 0.000 1.172 319 V CB -0.062 31.782 31.823 0.035 0.000 0.896 319 V HN 1.376 nan 8.190 nan 0.000 0.486 320 G N 2.960 111.787 108.800 0.045 0.000 2.234 320 G HA2 -0.268 3.693 3.960 0.001 0.000 0.235 320 G HA3 -0.268 3.693 3.960 0.001 0.000 0.235 320 G C 0.352 175.273 174.900 0.035 0.000 0.997 320 G CA 0.340 45.461 45.100 0.036 0.000 0.623 320 G HN 0.839 nan 8.290 nan 0.000 0.514 321 Q N 0.702 120.530 119.800 0.047 0.000 2.361 321 Q HA 0.462 4.803 4.340 0.001 0.000 0.276 321 Q C 0.435 176.450 176.000 0.026 0.000 1.022 321 Q CA -0.177 55.650 55.803 0.040 0.000 0.898 321 Q CB 0.218 29.004 28.738 0.081 0.000 1.246 321 Q HN 0.456 nan 8.270 nan 0.000 0.410 322 L N 5.205 126.422 121.223 -0.010 0.000 2.319 322 L HA 0.345 4.685 4.340 0.001 0.000 0.280 322 L C -0.096 176.734 176.870 -0.067 0.000 1.099 322 L CA -0.620 54.205 54.840 -0.025 0.000 0.828 322 L CB 0.597 42.632 42.059 -0.040 0.000 1.150 322 L HN 0.515 nan 8.230 nan 0.000 0.442 323 V N 1.280 121.175 119.914 -0.032 0.000 3.074 323 V HA 0.619 4.740 4.120 0.001 0.000 0.314 323 V C -0.850 175.236 176.094 -0.014 0.000 1.117 323 V CA -0.869 61.391 62.300 -0.066 0.000 1.014 323 V CB 2.135 33.987 31.823 0.048 0.000 1.057 323 V HN 0.792 nan 8.190 nan 0.000 0.438 324 Q N 0.766 120.551 119.800 -0.026 0.000 2.337 324 Q HA 0.491 4.831 4.340 0.001 0.000 0.270 324 Q C -0.962 175.234 176.000 0.327 0.000 1.043 324 Q CA -0.431 55.441 55.803 0.114 0.000 0.794 324 Q CB 2.951 31.713 28.738 0.039 0.000 1.281 324 Q HN 0.875 nan 8.270 nan 0.000 0.446 325 E N 2.032 122.454 120.200 0.370 0.000 2.354 325 E HA 0.139 4.489 4.350 0.001 0.000 0.269 325 E C -0.574 176.298 176.600 0.454 0.000 1.036 325 E CA -0.443 56.204 56.400 0.412 0.000 0.876 325 E CB 0.911 30.816 29.700 0.343 0.000 1.009 325 E HN 0.381 nan 8.360 nan 0.000 0.416 326 R N 2.632 123.274 120.500 0.236 0.000 2.490 326 R HA 0.140 4.480 4.340 0.001 0.000 0.280 326 R C -1.031 175.114 176.300 -0.258 0.000 1.077 326 R CA -0.485 55.429 56.100 -0.309 0.000 1.065 326 R CB 0.766 30.744 30.300 -0.537 0.000 1.003 326 R HN 0.264 nan 8.270 nan 0.000 0.470 327 V N 5.981 125.575 119.914 -0.534 0.000 2.446 327 V HA 0.069 4.189 4.120 0.001 0.000 0.276 327 V C 1.468 177.334 176.094 -0.381 0.000 1.030 327 V CA 0.623 62.610 62.300 -0.521 0.000 1.033 327 V CB 0.169 31.634 31.823 -0.597 0.000 0.993 327 V HN 1.096 nan 8.190 nan 0.000 0.477 328 A N 5.607 128.232 122.820 -0.325 0.000 1.836 328 A HA -0.103 4.217 4.320 0.001 0.000 0.215 328 A C 1.806 179.159 177.584 -0.384 0.000 1.214 328 A CA 2.123 53.832 52.037 -0.547 0.000 0.636 328 A CB -0.395 18.134 19.000 -0.784 0.000 0.847 328 A HN 1.050 nan 8.150 nan 0.000 0.451 329 R N 0.770 121.124 120.500 -0.244 0.000 3.301 329 R HA 0.531 4.872 4.340 0.001 0.000 0.286 329 R C -2.719 173.506 176.300 -0.125 0.000 1.386 329 R CA -1.321 54.688 56.100 -0.152 0.000 1.607 329 R CB -1.260 28.995 30.300 -0.075 0.000 1.305 329 R HN 0.585 nan 8.270 nan 0.000 0.637 330 P HA 0.342 nan 4.420 nan 0.000 0.271 330 P C 0.059 177.299 177.300 -0.100 0.000 1.233 330 P CA -0.264 62.747 63.100 -0.149 0.000 0.764 330 P CB 1.453 33.039 31.700 -0.191 0.000 0.825 331 A N 3.332 126.106 122.820 -0.077 0.000 2.475 331 A HA 0.193 4.513 4.320 0.001 0.000 0.239 331 A C 0.818 178.370 177.584 -0.053 0.000 1.087 331 A CA -0.090 51.915 52.037 -0.053 0.000 0.779 331 A CB -0.317 18.659 19.000 -0.039 0.000 1.036 331 A HN 0.548 nan 8.150 nan 0.000 0.506 332 S N -0.183 115.493 115.700 -0.040 0.000 2.537 332 S HA 0.280 4.750 4.470 0.001 0.000 0.286 332 S C 0.665 175.245 174.600 -0.034 0.000 1.299 332 S CA 0.384 58.563 58.200 -0.035 0.000 1.067 332 S CB -0.803 62.382 63.200 -0.025 0.000 0.864 332 S HN 1.189 nan 8.310 nan 0.000 0.494 333 L N 2.373 123.575 121.223 -0.034 0.000 3.865 333 L HA -0.190 4.150 4.340 0.001 0.000 0.408 333 L C 0.096 176.944 176.870 -0.037 0.000 1.209 333 L CA 0.411 55.232 54.840 -0.031 0.000 0.940 333 L CB -1.184 40.862 42.059 -0.022 0.000 1.971 333 L HN 0.647 nan 8.230 nan 0.000 0.899 334 R N -0.383 120.087 120.500 -0.050 0.000 2.807 334 R HA 0.585 4.926 4.340 0.001 0.000 0.276 334 R C -2.317 173.938 176.300 -0.075 0.000 0.979 334 R CA -1.925 54.140 56.100 -0.057 0.000 0.928 334 R CB 1.007 31.270 30.300 -0.062 0.000 1.191 334 R HN -0.263 nan 8.270 nan 0.000 0.471 335 P HA 0.068 nan 4.420 nan 0.000 0.262 335 P C 0.367 177.578 177.300 -0.149 0.000 1.182 335 P CA -0.066 62.996 63.100 -0.064 0.000 0.761 335 P CB 0.597 32.273 31.700 -0.040 0.000 0.795 336 R N 1.234 121.630 120.500 -0.174 0.000 2.307 336 R HA 0.079 4.419 4.340 0.001 0.000 0.199 336 R C -0.259 175.587 176.300 -0.757 0.000 1.000 336 R CA 0.325 56.156 56.100 -0.449 0.000 1.023 336 R CB -0.389 29.629 30.300 -0.470 0.000 0.908 336 R HN 0.574 nan 8.270 nan 0.000 0.473 337 W N -0.474 120.723 121.300 -0.171 0.000 2.736 337 W HA 0.364 5.025 4.660 0.001 0.000 0.335 337 W C 0.429 176.811 176.519 -0.229 0.000 1.059 337 W CA -0.854 56.388 57.345 -0.172 0.000 1.226 337 W CB 0.697 30.106 29.460 -0.085 0.000 1.416 337 W HN -0.068 nan 8.180 nan 0.000 0.505 338 H N 1.691 120.853 119.070 0.153 0.000 2.671 338 H HA 0.142 4.699 4.556 0.001 0.000 0.372 338 H C 0.479 175.829 175.328 0.037 0.000 1.227 338 H CA -0.111 55.931 56.048 -0.010 0.000 1.426 338 H CB 0.812 30.498 29.762 -0.127 0.000 1.480 338 H HN 0.368 nan 8.280 nan 0.000 0.611 339 K N 1.309 121.787 120.400 0.129 0.000 2.230 339 K HA 0.236 4.557 4.320 0.001 0.000 0.253 339 K C -2.613 174.037 176.600 0.083 0.000 1.008 339 K CA -1.525 54.810 56.287 0.080 0.000 0.910 339 K CB -0.512 32.020 32.500 0.053 0.000 0.994 339 K HN 0.200 nan 8.250 nan 0.000 0.495 340 P HA -0.045 nan 4.420 nan 0.000 0.267 340 P C -1.034 176.297 177.300 0.052 0.000 1.200 340 P CA 0.105 63.225 63.100 0.032 0.000 0.772 340 P CB 0.768 32.471 31.700 0.004 0.000 0.855 341 S N 0.084 115.817 115.700 0.055 0.000 2.618 341 S HA 0.635 5.105 4.470 0.001 0.000 0.277 341 S C -0.788 173.844 174.600 0.053 0.000 1.138 341 S CA -0.785 57.453 58.200 0.064 0.000 0.844 341 S CB 1.057 64.313 63.200 0.093 0.000 1.127 341 S HN 0.246 nan 8.310 nan 0.000 0.474 342 T N 1.603 116.187 114.554 0.050 0.000 2.875 342 T HA 0.471 4.821 4.350 0.001 0.000 0.284 342 T C 0.000 174.736 174.700 0.060 0.000 0.995 342 T CA -0.548 61.580 62.100 0.047 0.000 1.060 342 T CB 1.079 69.969 68.868 0.036 0.000 0.967 342 T HN 0.566 nan 8.240 nan 0.000 0.476 343 V N 4.831 124.786 119.914 0.070 0.000 2.485 343 V HA 0.061 4.181 4.120 0.001 0.000 0.287 343 V C 1.251 177.379 176.094 0.057 0.000 1.022 343 V CA 0.330 62.677 62.300 0.078 0.000 1.067 343 V CB -0.028 31.854 31.823 0.098 0.000 0.967 343 V HN 0.816 nan 8.190 nan 0.000 0.479 344 L N 3.428 124.682 121.223 0.051 0.000 2.221 344 L HA 0.253 4.593 4.340 0.001 0.000 0.202 344 L C 1.069 177.961 176.870 0.036 0.000 1.074 344 L CA 0.829 55.692 54.840 0.040 0.000 0.795 344 L CB 0.135 42.215 42.059 0.035 0.000 0.960 344 L HN 0.543 nan 8.230 nan 0.000 0.458 345 K N -0.726 119.698 120.400 0.039 0.000 2.502 345 K HA 0.436 4.756 4.320 0.001 0.000 0.257 345 K C -1.427 175.194 176.600 0.036 0.000 0.938 345 K CA -0.500 55.807 56.287 0.034 0.000 0.819 345 K CB 2.624 35.142 32.500 0.029 0.000 1.333 345 K HN -0.353 nan 8.250 nan 0.000 0.434 346 V N 6.533 126.464 119.914 0.028 0.000 2.277 346 V HA 0.166 4.287 4.120 0.001 0.000 0.269 346 V C 1.056 177.158 176.094 0.014 0.000 1.036 346 V CA -0.357 61.955 62.300 0.020 0.000 0.821 346 V CB 0.701 32.532 31.823 0.015 0.000 1.052 346 V HN 0.810 nan 8.190 nan 0.000 0.462 347 L N 3.415 124.648 121.223 0.017 0.000 2.027 347 L HA -0.022 4.318 4.340 0.001 0.000 0.206 347 L C 0.967 177.844 176.870 0.011 0.000 1.074 347 L CA 1.320 56.172 54.840 0.019 0.000 0.745 347 L CB -0.137 41.939 42.059 0.029 0.000 0.898 347 L HN 0.893 nan 8.230 nan 0.000 0.433 348 N N -3.488 115.213 118.700 0.002 0.000 3.039 348 N HA 0.256 4.997 4.740 0.001 0.000 0.257 348 N C -2.584 172.908 175.510 -0.029 0.000 1.497 348 N CA -1.598 51.447 53.050 -0.007 0.000 0.861 348 N CB 0.248 38.736 38.487 0.002 0.000 1.479 348 N HN -0.383 nan 8.380 nan 0.000 0.547 349 P HA 0.111 nan 4.420 nan 0.000 0.239 349 P C 0.142 177.368 177.300 -0.124 0.000 1.184 349 P CA 0.794 63.846 63.100 -0.080 0.000 0.760 349 P CB 0.201 31.857 31.700 -0.074 0.000 0.884 350 R N -2.098 118.350 120.500 -0.088 0.000 2.531 350 R HA 0.218 4.558 4.340 0.001 0.000 0.316 350 R C -0.144 176.106 176.300 -0.083 0.000 0.955 350 R CA 0.331 56.369 56.100 -0.103 0.000 1.120 350 R CB 0.856 31.121 30.300 -0.059 0.000 1.361 350 R HN 0.098 nan 8.270 nan 0.000 0.534 351 T N 0.113 114.638 114.554 -0.048 0.000 2.893 351 T HA 0.547 4.897 4.350 0.001 0.000 0.293 351 T C -0.985 173.714 174.700 -0.002 0.000 1.027 351 T CA -0.529 61.558 62.100 -0.022 0.000 0.988 351 T CB 2.875 71.748 68.868 0.009 0.000 1.043 351 T HN -0.244 nan 8.240 nan 0.000 0.461 352 V N 1.854 121.780 119.914 0.021 0.000 3.087 352 V HA 0.592 4.713 4.120 0.001 0.000 0.306 352 V C -1.110 175.017 176.094 0.055 0.000 1.187 352 V CA -0.728 61.597 62.300 0.042 0.000 0.999 352 V CB 2.668 34.528 31.823 0.061 0.000 1.049 352 V HN 0.797 nan 8.190 nan 0.000 0.431 353 V N 5.354 125.301 119.914 0.055 0.000 2.435 353 V HA 0.590 4.711 4.120 0.001 0.000 0.290 353 V C -0.196 175.935 176.094 0.061 0.000 1.030 353 V CA -0.448 61.885 62.300 0.054 0.000 0.881 353 V CB 1.409 33.258 31.823 0.043 0.000 0.983 353 V HN 0.714 nan 8.190 nan 0.000 0.445 354 I N 2.538 123.146 120.570 0.064 0.000 2.603 354 I HA 0.663 4.833 4.170 0.001 0.000 0.300 354 I C -0.813 175.334 176.117 0.049 0.000 1.017 354 I CA -1.158 60.182 61.300 0.068 0.000 1.098 354 I CB 1.985 40.040 38.000 0.092 0.000 1.279 354 I HN 0.466 nan 8.210 nan 0.000 0.437 355 L N 5.700 126.950 121.223 0.045 0.000 2.268 355 L HA 0.349 4.689 4.340 0.001 0.000 0.289 355 L C 0.029 176.925 176.870 0.044 0.000 1.064 355 L CA 0.335 55.195 54.840 0.033 0.000 0.824 355 L CB -0.117 41.959 42.059 0.029 0.000 1.202 355 L HN 0.865 nan 8.230 nan 0.000 0.433 356 D N 2.874 123.293 120.400 0.031 0.000 2.311 356 D HA 0.083 4.723 4.640 0.001 0.000 0.284 356 D C -0.268 176.079 176.300 0.079 0.000 1.182 356 D CA 0.194 54.234 54.000 0.067 0.000 1.111 356 D CB -0.083 40.724 40.800 0.011 0.000 1.176 356 D HN 0.670 nan 8.370 nan 0.000 0.539 357 H N -1.423 117.615 119.070 -0.052 0.000 2.746 357 H HA 0.685 5.241 4.556 0.001 0.000 0.269 357 H C -0.685 174.620 175.328 -0.037 0.000 1.248 357 H CA -0.986 55.034 56.048 -0.047 0.000 1.258 357 H CB 0.177 29.894 29.762 -0.076 0.000 1.441 357 H HN 0.263 nan 8.280 nan 0.000 0.508 358 L N 3.178 124.377 121.223 -0.040 0.000 2.949 358 L HA 0.480 4.821 4.340 0.001 0.000 0.258 358 L C -1.111 175.756 176.870 -0.004 0.000 0.941 358 L CA -0.210 54.635 54.840 0.008 0.000 1.053 358 L CB 1.636 43.730 42.059 0.058 0.000 1.550 358 L HN 0.891 nan 8.230 nan 0.000 0.493 359 G N 2.560 111.353 108.800 -0.011 0.000 2.644 359 G HA2 0.602 4.562 3.960 0.001 0.000 0.300 359 G HA3 0.602 4.562 3.960 0.001 0.000 0.300 359 G C -1.354 173.528 174.900 -0.030 0.000 1.395 359 G CA -0.524 44.567 45.100 -0.016 0.000 0.964 359 G HN 0.551 nan 8.290 nan 0.000 0.511 360 N N 1.068 119.735 118.700 -0.056 0.000 2.384 360 N HA 0.377 5.117 4.740 0.001 0.000 0.301 360 N C -0.642 174.847 175.510 -0.036 0.000 1.133 360 N CA -1.069 51.951 53.050 -0.051 0.000 0.853 360 N CB 1.045 39.486 38.487 -0.077 0.000 1.241 360 N HN 0.262 nan 8.380 nan 0.000 0.502 361 N N 1.135 119.824 118.700 -0.018 0.000 2.497 361 N HA 0.187 4.928 4.740 0.001 0.000 0.268 361 N C -0.605 174.903 175.510 -0.003 0.000 1.171 361 N CA 0.037 53.086 53.050 -0.001 0.000 0.948 361 N CB 0.469 38.961 38.487 0.008 0.000 1.069 361 N HN 0.263 nan 8.380 nan 0.000 0.460 362 R N 1.037 121.545 120.500 0.014 0.000 2.534 362 R HA 0.413 4.754 4.340 0.001 0.000 0.301 362 R C -0.685 175.642 176.300 0.046 0.000 0.961 362 R CA -0.556 55.559 56.100 0.025 0.000 0.871 362 R CB 1.476 31.796 30.300 0.033 0.000 1.170 362 R HN 0.445 nan 8.270 nan 0.000 0.446 363 T N 1.959 116.543 114.554 0.050 0.000 2.767 363 T HA 0.461 4.811 4.350 0.001 0.000 0.288 363 T C -0.144 174.598 174.700 0.070 0.000 0.963 363 T CA -0.402 61.734 62.100 0.060 0.000 1.019 363 T CB 1.276 70.183 68.868 0.064 0.000 0.923 363 T HN 0.147 nan 8.240 nan 0.000 0.468 364 V N 2.058 122.013 119.914 0.068 0.000 2.932 364 V HA 0.503 4.623 4.120 0.001 0.000 0.307 364 V C -0.108 176.003 176.094 0.028 0.000 1.147 364 V CA -0.921 61.424 62.300 0.075 0.000 0.951 364 V CB 2.549 34.439 31.823 0.111 0.000 1.031 364 V HN 0.881 nan 8.190 nan 0.000 0.426 365 S N 2.482 118.164 115.700 -0.030 0.000 2.565 365 S HA 0.372 4.842 4.470 0.001 0.000 0.274 365 S C 1.287 175.859 174.600 -0.046 0.000 1.309 365 S CA -0.295 57.798 58.200 -0.179 0.000 1.043 365 S CB 0.734 63.563 63.200 -0.618 0.000 0.939 365 S HN 0.691 nan 8.310 nan 0.000 0.504 366 I N 1.248 121.785 120.570 -0.055 0.000 2.614 366 I HA -0.015 4.156 4.170 0.001 0.000 0.258 366 I C 1.133 177.348 176.117 0.165 0.000 1.189 366 I CA 1.201 62.523 61.300 0.037 0.000 1.462 366 I CB -0.271 37.593 38.000 -0.228 0.000 1.092 366 I HN 0.404 nan 8.210 nan 0.000 0.442 367 D N 1.905 122.371 120.400 0.111 0.000 2.263 367 D HA -0.125 4.516 4.640 0.001 0.000 0.208 367 D C 1.228 177.695 176.300 0.279 0.000 0.971 367 D CA 0.977 55.112 54.000 0.226 0.000 0.867 367 D CB -0.316 40.666 40.800 0.303 0.000 0.929 367 D HN 0.465 nan 8.370 nan 0.000 0.492 368 N N -0.066 118.783 118.700 0.247 0.000 2.276 368 N HA 0.135 4.876 4.740 0.001 0.000 0.212 368 N C -0.134 175.603 175.510 0.379 0.000 1.127 368 N CA 0.050 53.260 53.050 0.266 0.000 0.834 368 N CB 0.903 39.517 38.487 0.212 0.000 1.014 368 N HN 0.209 nan 8.380 nan 0.000 0.491 369 L N 0.498 121.989 121.223 0.447 0.000 2.341 369 L HA 0.500 4.840 4.340 0.001 0.000 0.267 369 L C -0.112 176.998 176.870 0.400 0.000 1.009 369 L CA -0.947 54.180 54.840 0.479 0.000 0.819 369 L CB 2.169 44.535 42.059 0.512 0.000 1.323 369 L HN 0.002 nan 8.230 nan 0.000 0.425 370 K N 1.527 121.909 120.400 -0.031 0.000 2.422 370 K HA 0.646 4.966 4.320 0.001 0.000 0.251 370 K C -2.947 173.227 176.600 -0.710 0.000 0.933 370 K CA -1.799 54.187 56.287 -0.502 0.000 0.798 370 K CB 2.291 34.220 32.500 -0.953 0.000 1.238 370 K HN 0.091 nan 8.250 nan 0.000 0.428 371 P HA 0.055 nan 4.420 nan 0.000 0.275 371 P C -0.674 176.293 177.300 -0.555 0.000 1.227 371 P CA -0.202 62.382 63.100 -0.860 0.000 0.781 371 P CB 0.893 31.981 31.700 -1.020 0.000 0.906 372 T N 2.291 116.619 114.554 -0.377 0.000 2.834 372 T HA 0.188 4.539 4.350 0.001 0.000 0.298 372 T C 0.648 175.171 174.700 -0.294 0.000 0.966 372 T CA 0.063 61.988 62.100 -0.293 0.000 1.141 372 T CB -0.260 68.503 68.868 -0.176 0.000 0.905 372 T HN 0.375 nan 8.240 nan 0.000 0.535 373 S N 4.928 120.423 115.700 -0.341 0.000 2.584 373 S HA 0.436 4.907 4.470 0.001 0.000 0.273 373 S C -0.050 174.280 174.600 -0.450 0.000 1.311 373 S CA -0.931 56.965 58.200 -0.506 0.000 1.034 373 S CB 0.350 63.115 63.200 -0.724 0.000 0.939 373 S HN 0.903 nan 8.310 nan 0.000 0.513 374 H N 0.000 119.014 119.070 -0.093 0.000 2.539 374 H HA 0.000 4.556 4.556 0.001 0.000 0.296 374 H CA 0.000 56.005 56.048 -0.072 0.000 1.023 374 H CB 0.000 29.719 29.762 -0.071 0.000 1.292 374 H HN 0.000 nan 8.280 nan 0.000 0.496