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 3lpf_1_A DATA FIRST_RESID -1 DATA SEQUENCE SHXLRPVETP TREIKKLDGL WAFSLDRENC GIDQRWWESA LQESRAIAVP DATA SEQUENCE GSFNDQFADA DIRNYAGNVW YQREVFIPKG WAGQRIVLRF DAVTHYGKVW DATA SEQUENCE VNNQEVXEHQ GGYTPFEADV TPYVIAGKSV RITVCVNNEL NWQTIPPGXV DATA SEQUENCE ITDENGKKKQ SYFHDFFNYA GIHRSVXLYT TPNTWVDDIT VVTHVAQDCN DATA SEQUENCE HASVDWQVVA NGDVSVELRD ADQQVVATGQ GTSGTLQVVN PHLWQPGEGY DATA SEQUENCE LYELCVTAKS QTECDIYPLR VGIRSVAVKG EQFLINHKPF YFTGFGRHED DATA SEQUENCE ADLRGKGFDN VLXVHDHALX DWIGANSYRT SHYPYAEEXL DWADEHGIVV DATA SEQUENCE IDETAAVGFN LSLGIGFEAG NKPKELYSEE AVNGETQQAH LQAIKELIAR DATA SEQUENCE DKNHPSVVXW SIANEPDTRP QGAREYFAPL AEATRKLDPT RPITCVNVXF DATA SEQUENCE CDAHTDTISD LFDVLCLNRY YGWYVQSGDL ETAEKVLEKE LLAWQEKLHQ DATA SEQUENCE PIIITEYGVD TLAGLHSXYT DXWSEEYQCA WLDXYHRVFD RVSAVVGEQV DATA SEQUENCE WNFADFATSQ GILRVGGNKK GIFTRDRKPK SAAFLLQKRW TGXNFGEKPQ DATA SEQUENCE QGG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 S HA 0.000 nan 4.470 nan 0.000 0.327 -1 S C 0.000 174.676 174.600 0.126 0.000 1.055 -1 S CA 0.000 58.305 58.200 0.175 0.000 1.107 -1 S CB 0.000 63.354 63.200 0.257 0.000 0.593 3 R N 2.983 123.544 120.500 0.102 0.000 2.267 3 R HA 0.402 4.742 4.340 -0.001 0.000 0.319 3 R C -2.425 173.894 176.300 0.032 0.000 1.067 3 R CA -0.946 55.189 56.100 0.059 0.000 0.936 3 R CB 0.774 31.130 30.300 0.094 0.000 1.006 3 R HN 0.127 nan 8.270 nan 0.000 0.452 4 P HA 0.009 nan 4.420 nan 0.000 0.267 4 P C -1.113 176.091 177.300 -0.159 0.000 1.209 4 P CA -0.068 62.834 63.100 -0.330 0.000 0.763 4 P CB 0.841 32.105 31.700 -0.727 0.000 0.816 5 V N 1.961 121.797 119.914 -0.130 0.000 3.167 5 V HA 0.330 4.449 4.120 -0.001 0.000 0.310 5 V C 0.889 176.922 176.094 -0.101 0.000 1.207 5 V CA -0.715 61.502 62.300 -0.138 0.000 1.059 5 V CB 2.064 33.739 31.823 -0.248 0.000 1.079 5 V HN 0.379 nan 8.190 nan 0.000 0.446 6 E N 0.097 120.248 120.200 -0.081 0.000 2.444 6 E HA 0.031 4.381 4.350 -0.001 0.000 0.191 6 E C 1.343 177.923 176.600 -0.032 0.000 1.041 6 E CA 0.629 57.006 56.400 -0.038 0.000 0.883 6 E CB 0.307 30.000 29.700 -0.011 0.000 1.024 6 E HN 0.963 nan 8.360 nan 0.000 0.470 7 T N 0.583 115.106 114.554 -0.051 0.000 2.595 7 T HA -0.106 4.244 4.350 -0.001 0.000 0.264 7 T C -0.520 174.174 174.700 -0.010 0.000 1.058 7 T CA 1.128 63.208 62.100 -0.034 0.000 1.166 7 T CB -1.176 67.663 68.868 -0.049 0.000 0.863 7 T HN 0.212 nan 8.240 nan 0.000 0.415 8 P HA 0.247 nan 4.420 nan 0.000 0.249 8 P C 0.182 177.466 177.300 -0.026 0.000 1.177 8 P CA 0.361 63.459 63.100 -0.003 0.000 0.879 8 P CB 0.052 31.760 31.700 0.013 0.000 1.083 9 T N 2.048 116.594 114.554 -0.012 0.000 2.932 9 T HA 0.234 4.583 4.350 -0.001 0.000 0.312 9 T C 0.277 174.955 174.700 -0.036 0.000 1.071 9 T CA 0.450 62.537 62.100 -0.021 0.000 1.128 9 T CB 0.382 69.272 68.868 0.036 0.000 0.984 9 T HN 0.042 nan 8.240 nan 0.000 0.549 10 R N 1.488 121.944 120.500 -0.072 0.000 2.535 10 R HA 0.346 4.686 4.340 -0.001 0.000 0.274 10 R C -1.254 175.086 176.300 0.066 0.000 1.090 10 R CA -0.809 55.290 56.100 -0.003 0.000 0.930 10 R CB 1.851 32.175 30.300 0.041 0.000 1.223 10 R HN 0.519 nan 8.270 nan 0.000 0.441 11 E N 1.974 122.276 120.200 0.169 0.000 2.214 11 E HA 0.424 4.774 4.350 -0.001 0.000 0.274 11 E C -0.553 176.245 176.600 0.331 0.000 0.977 11 E CA -0.556 55.993 56.400 0.249 0.000 0.827 11 E CB 1.498 31.280 29.700 0.137 0.000 1.130 11 E HN 0.211 nan 8.360 nan 0.000 0.394 12 I N 2.906 123.699 120.570 0.372 0.000 2.389 12 I HA 0.156 4.326 4.170 -0.001 0.000 0.288 12 I C 1.078 177.287 176.117 0.154 0.000 0.999 12 I CA -0.319 61.108 61.300 0.212 0.000 1.129 12 I CB 1.680 39.738 38.000 0.098 0.000 1.288 12 I HN 0.593 nan 8.210 nan 0.000 0.444 13 K N 4.949 125.416 120.400 0.111 0.000 1.984 13 K HA -0.115 4.205 4.320 -0.001 0.000 0.209 13 K C 0.635 177.298 176.600 0.105 0.000 1.046 13 K CA 1.713 58.058 56.287 0.098 0.000 0.934 13 K CB 0.192 32.744 32.500 0.087 0.000 0.717 13 K HN 0.523 nan 8.250 nan 0.000 0.438 14 K N -1.066 119.401 120.400 0.113 0.000 3.495 14 K HA -0.218 4.102 4.320 -0.001 0.000 0.315 14 K C 0.941 177.702 176.600 0.268 0.000 1.301 14 K CA 1.209 57.586 56.287 0.151 0.000 0.985 14 K CB -1.841 30.737 32.500 0.130 0.000 1.244 14 K HN 0.357 nan 8.250 nan 0.000 0.433 15 L N 1.863 123.204 121.223 0.197 0.000 2.599 15 L HA 0.043 4.383 4.340 -0.001 0.000 0.230 15 L C -0.115 176.887 176.870 0.220 0.000 1.141 15 L CA 0.231 55.189 54.840 0.197 0.000 0.877 15 L CB -0.023 42.102 42.059 0.111 0.000 1.009 15 L HN 0.100 nan 8.230 nan 0.000 0.447 16 D N 1.125 121.653 120.400 0.214 0.000 2.658 16 D HA -0.074 4.566 4.640 -0.001 0.000 0.230 16 D C 0.935 177.440 176.300 0.343 0.000 1.118 16 D CA 1.049 55.170 54.000 0.203 0.000 0.848 16 D CB 1.464 42.355 40.800 0.152 0.000 1.160 16 D HN 0.421 nan 8.370 nan 0.000 0.497 17 G N 2.702 111.679 108.800 0.295 0.000 3.159 17 G HA2 0.099 4.059 3.960 -0.001 0.000 0.232 17 G HA3 0.099 4.059 3.960 -0.001 0.000 0.232 17 G C 0.736 175.918 174.900 0.469 0.000 1.116 17 G CA -0.278 45.034 45.100 0.353 0.000 0.767 17 G HN 0.395 nan 8.290 nan 0.000 0.547 18 L N 1.675 123.136 121.223 0.396 0.000 2.342 18 L HA 0.357 4.696 4.340 -0.001 0.000 0.285 18 L C -0.540 176.619 176.870 0.482 0.000 1.095 18 L CA -0.669 54.384 54.840 0.354 0.000 0.843 18 L CB 0.229 42.405 42.059 0.196 0.000 1.201 18 L HN 0.113 nan 8.230 nan 0.000 0.445 19 W N 1.859 123.272 121.300 0.190 0.000 2.850 19 W HA 0.698 5.358 4.660 0.000 0.000 0.349 19 W C 0.028 176.676 176.519 0.214 0.000 1.133 19 W CA -0.842 56.642 57.345 0.232 0.000 1.117 19 W CB 1.443 31.119 29.460 0.361 0.000 1.442 19 W HN 0.347 nan 8.180 nan 0.000 0.575 20 A N 1.523 124.605 122.820 0.436 0.000 2.302 20 A HA 0.773 5.093 4.320 -0.001 0.000 0.285 20 A C -1.708 176.092 177.584 0.360 0.000 1.105 20 A CA -0.211 52.008 52.037 0.303 0.000 0.816 20 A CB 0.492 19.599 19.000 0.177 0.000 1.067 20 A HN 0.627 nan 8.150 nan 0.000 0.489 21 F N 1.035 121.008 119.950 0.038 0.000 2.615 21 F HA 0.574 5.101 4.527 0.000 0.000 0.312 21 F C -0.286 175.449 175.800 -0.109 0.000 1.119 21 F CA 0.346 58.298 58.000 -0.080 0.000 0.979 21 F CB 1.809 40.714 39.000 -0.158 0.000 1.266 21 F HN 0.973 nan 8.300 nan 0.000 0.444 22 S N 5.611 120.728 115.700 -0.973 0.000 2.565 22 S HA 0.694 5.163 4.470 -0.001 0.000 0.269 22 S C -1.671 172.440 174.600 -0.814 0.000 1.153 22 S CA -1.078 56.623 58.200 -0.832 0.000 0.835 22 S CB 1.372 64.353 63.200 -0.365 0.000 1.122 22 S HN 0.820 nan 8.310 nan 0.000 0.462 23 L N 1.131 121.995 121.223 -0.598 0.000 2.490 23 L HA 0.645 4.985 4.340 -0.001 0.000 0.245 23 L C -0.368 176.461 176.870 -0.069 0.000 1.185 23 L CA -0.570 53.971 54.840 -0.500 0.000 0.813 23 L CB 0.391 42.052 42.059 -0.663 0.000 1.233 23 L HN 0.822 nan 8.230 nan 0.000 0.489 24 D N -0.880 119.553 120.400 0.054 0.000 2.763 24 D HA 0.283 4.923 4.640 -0.001 0.000 0.235 24 D C -0.042 176.397 176.300 0.231 0.000 1.334 24 D CA -0.411 53.697 54.000 0.181 0.000 0.950 24 D CB 1.526 42.456 40.800 0.217 0.000 1.433 24 D HN 0.346 nan 8.370 nan 0.000 0.580 25 R N 1.571 122.175 120.500 0.173 0.000 2.257 25 R HA 0.183 4.522 4.340 -0.001 0.000 0.195 25 R C 0.950 177.327 176.300 0.129 0.000 0.921 25 R CA 0.041 56.270 56.100 0.213 0.000 1.069 25 R CB 0.834 31.232 30.300 0.163 0.000 1.115 25 R HN 0.271 nan 8.270 nan 0.000 0.571 26 E N 0.559 120.810 120.200 0.086 0.000 2.474 26 E HA 0.044 4.394 4.350 -0.001 0.000 0.195 26 E C -0.338 176.274 176.600 0.020 0.000 1.039 26 E CA -0.028 56.401 56.400 0.048 0.000 0.881 26 E CB 0.378 30.101 29.700 0.039 0.000 0.970 26 E HN 0.118 nan 8.360 nan 0.000 0.486 27 N N 0.069 118.779 118.700 0.017 0.000 2.783 27 N HA -0.167 4.573 4.740 -0.001 0.000 0.247 27 N C 0.264 175.721 175.510 -0.089 0.000 1.089 27 N CA 0.592 53.632 53.050 -0.017 0.000 0.690 27 N CB -1.837 36.652 38.487 0.003 0.000 0.991 27 N HN 0.194 nan 8.380 nan 0.000 0.552 28 C N -2.504 116.682 119.300 -0.190 0.000 2.594 28 C HA 0.298 4.758 4.460 -0.001 0.000 0.265 28 C C 2.617 177.256 174.990 -0.585 0.000 1.351 28 C CA 0.247 59.105 59.018 -0.267 0.000 1.744 28 C CB -0.803 26.848 27.740 -0.148 0.000 1.890 28 C HN 0.632 nan 8.230 nan 0.000 0.551 29 G N 1.419 109.713 108.800 -0.844 0.000 2.440 29 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.218 29 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.218 29 G C 1.453 176.011 174.900 -0.569 0.000 1.154 29 G CA 0.843 45.092 45.100 -1.418 0.000 0.767 29 G HN 0.559 nan 8.290 nan 0.000 0.552 30 I N 0.453 121.026 120.570 0.004 0.000 2.852 30 I HA -0.005 4.165 4.170 -0.001 0.000 0.264 30 I C 1.948 178.137 176.117 0.120 0.000 1.179 30 I CA 0.439 61.927 61.300 0.314 0.000 1.480 30 I CB -0.108 38.099 38.000 0.344 0.000 1.111 30 I HN 0.032 nan 8.210 nan 0.000 0.441 31 D N 1.250 121.626 120.400 -0.041 0.000 2.087 31 D HA -0.218 4.422 4.640 -0.001 0.000 0.192 31 D C 1.782 178.011 176.300 -0.119 0.000 0.993 31 D CA 1.471 55.440 54.000 -0.051 0.000 0.828 31 D CB -0.322 40.437 40.800 -0.068 0.000 0.968 31 D HN 0.377 nan 8.370 nan 0.000 0.448 32 Q N -0.069 119.599 119.800 -0.221 0.000 2.373 32 Q HA 0.194 4.534 4.340 -0.001 0.000 0.206 32 Q C -0.398 175.401 176.000 -0.335 0.000 0.942 32 Q CA -0.171 55.529 55.803 -0.170 0.000 0.953 32 Q CB 0.212 28.981 28.738 0.051 0.000 1.022 32 Q HN 0.149 nan 8.270 nan 0.000 0.502 33 R N -0.646 119.434 120.500 -0.699 0.000 3.188 33 R HA -0.216 4.123 4.340 -0.001 0.000 0.247 33 R C -0.335 175.066 176.300 -1.500 0.000 0.918 33 R CA -0.023 55.046 56.100 -1.718 0.000 0.629 33 R CB -1.306 28.347 30.300 -1.077 0.000 1.087 33 R HN 0.432 nan 8.270 nan 0.000 0.462 34 W N -0.030 120.456 121.300 -1.355 0.000 2.421 34 W HA -0.123 4.536 4.660 -0.001 0.000 0.270 34 W C 1.812 177.904 176.519 -0.713 0.000 1.233 34 W CA 1.002 57.742 57.345 -1.009 0.000 1.226 34 W CB -0.672 27.961 29.460 -1.378 0.000 1.121 34 W HN 0.681 nan 8.180 nan 0.000 0.579 35 W N 0.423 121.551 121.300 -0.286 0.000 2.538 35 W HA -0.024 4.635 4.660 -0.001 0.000 0.254 35 W C 1.299 177.750 176.519 -0.113 0.000 1.249 35 W CA 1.243 58.463 57.345 -0.209 0.000 1.253 35 W CB -1.275 27.767 29.460 -0.697 0.000 1.130 35 W HN -0.038 nan 8.180 nan 0.000 0.618 36 E N 0.827 120.742 120.200 -0.475 0.000 2.250 36 E HA -0.001 4.349 4.350 -0.001 0.000 0.192 36 E C 0.617 177.116 176.600 -0.169 0.000 0.986 36 E CA 0.898 57.136 56.400 -0.270 0.000 0.849 36 E CB 0.040 29.495 29.700 -0.407 0.000 0.797 36 E HN 0.237 nan 8.360 nan 0.000 0.482 37 S N 0.017 115.582 115.700 -0.224 0.000 2.548 37 S HA 0.669 5.138 4.470 -0.001 0.000 0.286 37 S C -0.260 174.227 174.600 -0.190 0.000 1.098 37 S CA -1.039 57.048 58.200 -0.188 0.000 0.930 37 S CB 2.030 65.096 63.200 -0.224 0.000 1.070 37 S HN 0.145 nan 8.310 nan 0.000 0.480 38 A N 2.657 125.391 122.820 -0.145 0.000 2.567 38 A HA 0.354 4.673 4.320 -0.001 0.000 0.240 38 A C 0.539 177.988 177.584 -0.225 0.000 1.053 38 A CA -0.305 51.654 52.037 -0.130 0.000 0.755 38 A CB -0.636 18.307 19.000 -0.096 0.000 0.978 38 A HN 0.862 nan 8.150 nan 0.000 0.507 39 L N 1.978 123.071 121.223 -0.217 0.000 2.529 39 L HA 0.011 4.351 4.340 -0.001 0.000 0.287 39 L C 1.186 177.825 176.870 -0.384 0.000 1.241 39 L CA 0.319 54.933 54.840 -0.377 0.000 0.857 39 L CB 0.040 41.956 42.059 -0.238 0.000 1.113 39 L HN 0.940 nan 8.230 nan 0.000 0.504 40 Q N 1.068 120.537 119.800 -0.552 0.000 2.248 40 Q HA 0.344 4.684 4.340 -0.001 0.000 0.263 40 Q C -0.509 175.275 176.000 -0.360 0.000 1.007 40 Q CA -0.974 54.583 55.803 -0.410 0.000 0.877 40 Q CB 1.462 29.943 28.738 -0.429 0.000 1.315 40 Q HN 0.432 nan 8.270 nan 0.000 0.454 41 E N 0.051 120.106 120.200 -0.242 0.000 2.183 41 E HA -0.200 4.149 4.350 -0.001 0.000 0.196 41 E C -1.393 175.098 176.600 -0.182 0.000 1.364 41 E CA 1.201 57.488 56.400 -0.188 0.000 0.700 41 E CB -1.239 28.349 29.700 -0.187 0.000 1.106 41 E HN 0.606 nan 8.360 nan 0.000 0.347 42 S N 0.870 116.487 115.700 -0.138 0.000 2.552 42 S HA 0.711 5.181 4.470 -0.001 0.000 0.314 42 S C -0.097 174.498 174.600 -0.008 0.000 1.099 42 S CA -0.806 57.340 58.200 -0.091 0.000 1.070 42 S CB 1.274 64.420 63.200 -0.090 0.000 0.998 42 S HN 0.416 nan 8.310 nan 0.000 0.474 43 R N 2.638 123.165 120.500 0.045 0.000 2.643 43 R HA 0.836 5.176 4.340 -0.001 0.000 0.272 43 R C -0.094 176.318 176.300 0.186 0.000 0.995 43 R CA -0.733 55.418 56.100 0.085 0.000 1.032 43 R CB 0.947 31.262 30.300 0.026 0.000 1.126 43 R HN 0.667 nan 8.270 nan 0.000 0.505 44 A N 3.289 126.218 122.820 0.182 0.000 2.440 44 A HA 0.385 4.705 4.320 -0.001 0.000 0.251 44 A C -0.254 177.496 177.584 0.276 0.000 1.089 44 A CA -0.495 51.673 52.037 0.218 0.000 0.779 44 A CB 0.051 19.151 19.000 0.167 0.000 1.022 44 A HN 0.751 nan 8.150 nan 0.000 0.492 45 I N 1.235 121.960 120.570 0.258 0.000 2.769 45 I HA 0.627 4.797 4.170 -0.001 0.000 0.298 45 I C 0.052 176.264 176.117 0.159 0.000 1.128 45 I CA -0.923 60.474 61.300 0.163 0.000 1.031 45 I CB 2.042 40.047 38.000 0.009 0.000 1.235 45 I HN 0.725 nan 8.210 nan 0.000 0.423 46 A N 6.379 129.233 122.820 0.057 0.000 2.320 46 A HA 0.537 4.856 4.320 -0.001 0.000 0.287 46 A C -0.796 176.827 177.584 0.066 0.000 1.181 46 A CA -0.332 51.751 52.037 0.078 0.000 0.831 46 A CB 0.837 19.846 19.000 0.015 0.000 1.102 46 A HN 0.659 nan 8.150 nan 0.000 0.513 47 V N 3.677 123.617 119.914 0.044 0.000 2.495 47 V HA 0.784 4.904 4.120 -0.001 0.000 0.298 47 V C -2.752 173.340 176.094 -0.005 0.000 1.031 47 V CA -2.309 59.943 62.300 -0.079 0.000 0.871 47 V CB 2.076 33.634 31.823 -0.443 0.000 0.988 47 V HN 0.764 nan 8.190 nan 0.000 0.432 48 P HA 0.737 nan 4.420 nan 0.000 0.281 48 P C -0.170 177.143 177.300 0.021 0.000 1.249 48 P CA 0.120 63.223 63.100 0.006 0.000 0.810 48 P CB 1.702 33.451 31.700 0.080 0.000 1.008 49 G N -0.150 108.678 108.800 0.047 0.000 2.368 49 G HA2 0.367 4.327 3.960 -0.001 0.000 0.293 49 G HA3 0.367 4.327 3.960 -0.001 0.000 0.293 49 G C -1.314 173.678 174.900 0.154 0.000 1.467 49 G CA -0.459 44.661 45.100 0.034 0.000 0.804 49 G HN 0.374 nan 8.290 nan 0.000 0.535 50 S N -0.657 115.089 115.700 0.077 0.000 2.617 50 S HA 0.427 4.896 4.470 -0.001 0.000 0.269 50 S C 1.116 175.778 174.600 0.104 0.000 1.292 50 S CA -0.026 58.273 58.200 0.165 0.000 1.010 50 S CB 0.657 63.808 63.200 -0.081 0.000 0.944 50 S HN 0.856 nan 8.310 nan 0.000 0.536 51 F N 1.466 121.541 119.950 0.208 0.000 2.512 51 F HA 0.167 4.695 4.527 0.001 0.000 0.296 51 F C 1.453 177.349 175.800 0.160 0.000 1.110 51 F CA 0.421 58.489 58.000 0.114 0.000 1.446 51 F CB -0.767 38.345 39.000 0.187 0.000 1.092 51 F HN 0.485 nan 8.300 nan 0.000 0.554 52 N N 0.976 119.599 118.700 -0.128 0.000 2.149 52 N HA -0.182 4.558 4.740 -0.001 0.000 0.188 52 N C 0.441 176.084 175.510 0.221 0.000 1.019 52 N CA 1.715 54.849 53.050 0.140 0.000 0.857 52 N CB -0.365 38.272 38.487 0.250 0.000 0.997 52 N HN 0.378 nan 8.380 nan 0.000 0.426 53 D N 0.302 120.761 120.400 0.098 0.000 2.379 53 D HA 0.037 4.677 4.640 -0.001 0.000 0.208 53 D C 1.459 177.679 176.300 -0.134 0.000 1.065 53 D CA 0.178 54.192 54.000 0.022 0.000 0.848 53 D CB 0.135 40.945 40.800 0.017 0.000 0.949 53 D HN 0.309 nan 8.370 nan 0.000 0.509 54 Q N -0.512 119.061 119.800 -0.378 0.000 2.436 54 Q HA -0.017 4.323 4.340 -0.001 0.000 0.209 54 Q C 0.398 176.034 176.000 -0.607 0.000 0.965 54 Q CA 0.768 56.199 55.803 -0.619 0.000 0.910 54 Q CB 0.023 28.209 28.738 -0.919 0.000 0.980 54 Q HN 0.345 nan 8.270 nan 0.000 0.491 55 F N -1.127 118.847 119.950 0.040 0.000 2.688 55 F HA 0.483 5.010 4.527 -0.000 0.000 0.310 55 F C 0.849 176.679 175.800 0.050 0.000 1.098 55 F CA -0.213 57.813 58.000 0.044 0.000 1.228 55 F CB 0.378 39.415 39.000 0.062 0.000 1.042 55 F HN -0.092 nan 8.300 nan 0.000 0.557 56 A N 0.703 123.620 122.820 0.163 0.000 2.799 56 A HA -0.270 4.050 4.320 -0.001 0.000 0.287 56 A C 0.030 177.697 177.584 0.137 0.000 1.484 56 A CA 1.218 53.325 52.037 0.116 0.000 0.813 56 A CB -2.046 17.002 19.000 0.080 0.000 1.009 56 A HN 0.391 nan 8.150 nan 0.000 0.545 57 D N -1.162 119.353 120.400 0.192 0.000 2.471 57 D HA 0.659 5.298 4.640 -0.001 0.000 0.245 57 D C 1.101 177.505 176.300 0.174 0.000 1.116 57 D CA 0.372 54.474 54.000 0.169 0.000 0.853 57 D CB 1.232 42.141 40.800 0.182 0.000 1.123 57 D HN 0.510 nan 8.370 nan 0.000 0.540 58 A N 3.837 126.736 122.820 0.130 0.000 1.986 58 A HA -0.211 4.109 4.320 -0.001 0.000 0.220 58 A C 1.546 179.234 177.584 0.173 0.000 1.171 58 A CA 1.474 53.589 52.037 0.130 0.000 0.640 58 A CB -0.022 19.035 19.000 0.095 0.000 0.811 58 A HN 0.556 nan 8.150 nan 0.000 0.451 59 D N -0.534 119.968 120.400 0.170 0.000 2.213 59 D HA 0.018 4.658 4.640 -0.001 0.000 0.205 59 D C 1.840 178.297 176.300 0.262 0.000 0.961 59 D CA 0.782 54.895 54.000 0.188 0.000 0.853 59 D CB -0.177 40.705 40.800 0.137 0.000 0.967 59 D HN 0.539 nan 8.370 nan 0.000 0.496 60 I N 0.579 121.311 120.570 0.270 0.000 2.353 60 I HA -0.146 4.024 4.170 -0.001 0.000 0.248 60 I C 2.572 179.017 176.117 0.546 0.000 1.119 60 I CA 0.535 62.063 61.300 0.380 0.000 1.417 60 I CB -0.042 38.181 38.000 0.372 0.000 1.078 60 I HN -0.140 nan 8.210 nan 0.000 0.421 61 R N 1.378 122.125 120.500 0.412 0.000 2.096 61 R HA -0.143 4.197 4.340 -0.001 0.000 0.235 61 R C 1.150 177.714 176.300 0.439 0.000 1.127 61 R CA 1.868 58.193 56.100 0.375 0.000 0.968 61 R CB -0.136 30.292 30.300 0.213 0.000 0.861 61 R HN 0.418 nan 8.270 nan 0.000 0.440 62 N N -0.773 118.156 118.700 0.381 0.000 2.251 62 N HA -0.012 4.728 4.740 -0.001 0.000 0.217 62 N C -0.990 174.709 175.510 0.315 0.000 1.124 62 N CA -0.402 52.847 53.050 0.331 0.000 0.843 62 N CB 0.393 39.025 38.487 0.242 0.000 1.024 62 N HN 0.150 nan 8.380 nan 0.000 0.501 63 Y N 2.211 122.681 120.300 0.283 0.000 2.497 63 Y HA 0.352 4.902 4.550 -0.001 0.000 0.334 63 Y C -0.263 175.772 175.900 0.225 0.000 1.199 63 Y CA -0.930 57.322 58.100 0.252 0.000 1.425 63 Y CB 0.471 39.124 38.460 0.322 0.000 1.291 63 Y HN -0.029 nan 8.280 nan 0.000 0.562 64 A N 4.121 126.593 122.820 -0.579 0.000 2.374 64 A HA 0.848 5.168 4.320 -0.001 0.000 0.305 64 A C -0.013 177.075 177.584 -0.827 0.000 1.053 64 A CA 0.122 51.865 52.037 -0.489 0.000 0.726 64 A CB 1.020 19.881 19.000 -0.232 0.000 1.229 64 A HN 1.690 nan 8.150 nan 0.000 0.431 65 G N 1.299 109.794 108.800 -0.507 0.000 2.247 65 G HA2 0.034 3.994 3.960 -0.001 0.000 0.229 65 G HA3 0.034 3.994 3.960 -0.001 0.000 0.229 65 G C -1.145 173.762 174.900 0.011 0.000 1.345 65 G CA -0.618 44.291 45.100 -0.318 0.000 1.100 65 G HN 0.853 nan 8.290 nan 0.000 0.473 66 N N -0.170 118.663 118.700 0.222 0.000 2.361 66 N HA 0.657 5.397 4.740 -0.001 0.000 0.302 66 N C -0.452 175.227 175.510 0.283 0.000 1.074 66 N CA -0.127 53.050 53.050 0.211 0.000 0.850 66 N CB 2.686 41.238 38.487 0.108 0.000 1.228 66 N HN 0.987 nan 8.380 nan 0.000 0.491 67 V N -1.311 118.653 119.914 0.083 0.000 3.102 67 V HA 0.715 4.834 4.120 -0.001 0.000 0.312 67 V C -1.762 174.306 176.094 -0.043 0.000 1.135 67 V CA -0.868 61.409 62.300 -0.039 0.000 1.022 67 V CB 1.777 33.437 31.823 -0.271 0.000 1.056 67 V HN 0.628 nan 8.190 nan 0.000 0.436 68 W N 0.716 121.956 121.300 -0.101 0.000 2.739 68 W HA 0.774 5.433 4.660 -0.001 0.000 0.331 68 W C -1.261 175.340 176.519 0.137 0.000 1.049 68 W CA -0.563 56.877 57.345 0.158 0.000 1.234 68 W CB 1.699 31.302 29.460 0.238 0.000 1.404 68 W HN 0.609 nan 8.180 nan 0.000 0.477 69 Y N 2.174 122.783 120.300 0.515 0.000 2.352 69 Y HA 0.473 5.022 4.550 -0.001 0.000 0.339 69 Y C 0.227 176.553 175.900 0.709 0.000 0.992 69 Y CA -0.882 57.579 58.100 0.603 0.000 1.100 69 Y CB 1.995 40.739 38.460 0.473 0.000 1.192 69 Y HN 0.323 nan 8.280 nan 0.000 0.458 70 Q N 3.025 123.281 119.800 0.759 0.000 2.389 70 Q HA 0.732 5.072 4.340 -0.001 0.000 0.277 70 Q C -1.548 174.604 176.000 0.255 0.000 1.082 70 Q CA -1.250 54.858 55.803 0.508 0.000 0.810 70 Q CB 2.489 31.420 28.738 0.322 0.000 1.374 70 Q HN 0.760 nan 8.270 nan 0.000 0.422 71 R N 1.171 121.648 120.500 -0.039 0.000 2.633 71 R HA 0.267 4.607 4.340 -0.001 0.000 0.256 71 R C -1.937 174.196 176.300 -0.279 0.000 1.131 71 R CA -0.350 55.512 56.100 -0.396 0.000 0.994 71 R CB 1.258 30.716 30.300 -1.402 0.000 1.261 71 R HN 0.561 nan 8.270 nan 0.000 0.446 72 E N 2.273 122.352 120.200 -0.202 0.000 2.266 72 E HA 0.536 4.886 4.350 -0.001 0.000 0.277 72 E C -1.106 175.405 176.600 -0.148 0.000 1.018 72 E CA -0.873 55.443 56.400 -0.141 0.000 0.840 72 E CB 2.178 31.823 29.700 -0.092 0.000 1.082 72 E HN 0.367 nan 8.360 nan 0.000 0.395 73 V N 3.427 123.264 119.914 -0.129 0.000 3.160 73 V HA 0.490 4.610 4.120 -0.001 0.000 0.310 73 V C -1.751 174.272 176.094 -0.117 0.000 1.181 73 V CA -0.672 61.582 62.300 -0.077 0.000 1.047 73 V CB 1.796 33.576 31.823 -0.072 0.000 1.068 73 V HN 0.561 nan 8.190 nan 0.000 0.441 74 F N 4.104 123.985 119.950 -0.114 0.000 2.426 74 F HA 0.589 5.115 4.527 -0.001 0.000 0.348 74 F C 0.245 175.920 175.800 -0.209 0.000 1.124 74 F CA -0.784 57.135 58.000 -0.134 0.000 1.008 74 F CB 1.498 40.420 39.000 -0.130 0.000 1.139 74 F HN 0.235 nan 8.300 nan 0.000 0.452 75 I N 5.466 125.978 120.570 -0.097 0.000 2.496 75 I HA 0.206 4.376 4.170 -0.001 0.000 0.285 75 I C -2.378 173.564 176.117 -0.291 0.000 1.080 75 I CA -3.051 58.108 61.300 -0.234 0.000 1.404 75 I CB -0.023 37.899 38.000 -0.130 0.000 1.403 75 I HN 0.277 nan 8.210 nan 0.000 0.539 76 P HA 0.147 nan 4.420 nan 0.000 0.268 76 P C 0.449 177.544 177.300 -0.343 0.000 1.204 76 P CA -0.141 62.592 63.100 -0.612 0.000 0.768 76 P CB 0.710 31.709 31.700 -1.168 0.000 0.842 77 K N 2.197 122.512 120.400 -0.142 0.000 2.097 77 K HA -0.107 4.213 4.320 -0.001 0.000 0.206 77 K C 2.253 178.864 176.600 0.018 0.000 1.049 77 K CA 1.736 58.002 56.287 -0.035 0.000 0.933 77 K CB -0.778 31.717 32.500 -0.008 0.000 0.717 77 K HN 0.618 nan 8.250 nan 0.000 0.442 78 G N 0.642 109.460 108.800 0.030 0.000 2.499 78 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.221 78 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.221 78 G C -0.179 174.914 174.900 0.322 0.000 1.109 78 G CA 0.267 45.463 45.100 0.160 0.000 0.749 78 G HN 0.234 nan 8.290 nan 0.000 0.568 79 W N 1.205 122.507 121.300 0.002 0.000 1.836 79 W HA 0.698 5.358 4.660 -0.001 0.000 0.449 79 W C 1.085 177.593 176.519 -0.019 0.000 0.787 79 W CA -1.379 55.959 57.345 -0.013 0.000 1.729 79 W CB -0.755 28.694 29.460 -0.019 0.000 1.802 79 W HN 0.192 nan 8.180 nan 0.000 0.257 80 A N 1.292 124.217 122.820 0.174 0.000 1.871 80 A HA 0.218 4.537 4.320 -0.001 0.000 0.211 80 A C 2.026 179.641 177.584 0.052 0.000 1.207 80 A CA 1.313 53.407 52.037 0.095 0.000 0.620 80 A CB -0.615 18.425 19.000 0.067 0.000 0.860 80 A HN 0.441 nan 8.150 nan 0.000 0.450 81 G N -0.762 108.054 108.800 0.028 0.000 3.337 81 G HA2 0.319 4.278 3.960 -0.001 0.000 0.246 81 G HA3 0.319 4.278 3.960 -0.001 0.000 0.246 81 G C 0.186 175.069 174.900 -0.029 0.000 1.131 81 G CA -0.232 44.868 45.100 0.000 0.000 0.773 81 G HN 0.286 nan 8.290 nan 0.000 0.544 82 Q N 0.724 120.507 119.800 -0.029 0.000 2.261 82 Q HA 0.237 4.577 4.340 -0.001 0.000 0.252 82 Q C 0.155 176.060 176.000 -0.158 0.000 0.915 82 Q CA -0.277 55.461 55.803 -0.107 0.000 0.915 82 Q CB 1.370 30.026 28.738 -0.138 0.000 1.204 82 Q HN 0.198 nan 8.270 nan 0.000 0.421 83 R N 2.635 122.982 120.500 -0.254 0.000 2.457 83 R HA 0.140 4.479 4.340 -0.001 0.000 0.335 83 R C -0.211 175.839 176.300 -0.416 0.000 1.003 83 R CA 0.297 56.178 56.100 -0.365 0.000 1.003 83 R CB -0.175 29.785 30.300 -0.568 0.000 0.950 83 R HN 0.472 nan 8.270 nan 0.000 0.428 84 I N 4.165 124.551 120.570 -0.307 0.000 2.362 84 I HA 0.242 4.412 4.170 -0.001 0.000 0.289 84 I C -0.255 175.684 176.117 -0.296 0.000 0.994 84 I CA -0.855 60.289 61.300 -0.259 0.000 1.158 84 I CB 1.881 39.886 38.000 0.008 0.000 1.315 84 I HN 0.148 nan 8.210 nan 0.000 0.451 85 V N 6.792 126.420 119.914 -0.477 0.000 2.555 85 V HA 0.393 4.513 4.120 -0.001 0.000 0.302 85 V C -0.411 175.530 176.094 -0.254 0.000 1.038 85 V CA -0.770 61.235 62.300 -0.492 0.000 0.887 85 V CB 2.228 33.429 31.823 -1.036 0.000 0.991 85 V HN 0.412 nan 8.190 nan 0.000 0.434 86 L N 5.538 126.707 121.223 -0.090 0.000 2.287 86 L HA 0.684 5.024 4.340 -0.001 0.000 0.287 86 L C -0.259 176.593 176.870 -0.029 0.000 1.022 86 L CA -0.131 54.692 54.840 -0.027 0.000 0.814 86 L CB 1.013 43.100 42.059 0.046 0.000 1.217 86 L HN 0.800 nan 8.230 nan 0.000 0.420 87 R N 4.327 124.772 120.500 -0.092 0.000 2.621 87 R HA 0.607 4.946 4.340 -0.001 0.000 0.292 87 R C -1.853 174.203 176.300 -0.407 0.000 0.969 87 R CA -0.480 55.557 56.100 -0.104 0.000 0.887 87 R CB 1.153 31.516 30.300 0.104 0.000 1.180 87 R HN 0.524 nan 8.270 nan 0.000 0.450 88 F N 2.966 122.642 119.950 -0.456 0.000 2.449 88 F HA 0.258 4.784 4.527 -0.001 0.000 0.342 88 F C 0.686 176.248 175.800 -0.396 0.000 1.127 88 F CA -0.662 57.033 58.000 -0.508 0.000 0.975 88 F CB 2.007 40.446 39.000 -0.935 0.000 1.146 88 F HN 0.615 nan 8.300 nan 0.000 0.444 89 D N 2.248 122.614 120.400 -0.057 0.000 2.219 89 D HA 0.093 4.733 4.640 -0.001 0.000 0.205 89 D C 0.429 176.768 176.300 0.064 0.000 0.970 89 D CA 1.048 55.042 54.000 -0.010 0.000 0.851 89 D CB 0.294 41.078 40.800 -0.027 0.000 0.943 89 D HN 0.488 nan 8.370 nan 0.000 0.488 90 A N -0.832 122.043 122.820 0.093 0.000 2.594 90 A HA 0.521 4.841 4.320 -0.001 0.000 0.296 90 A C -1.651 175.998 177.584 0.109 0.000 1.056 90 A CA -0.595 51.527 52.037 0.142 0.000 0.693 90 A CB 1.402 20.474 19.000 0.120 0.000 1.278 90 A HN -0.137 nan 8.150 nan 0.000 0.408 91 V N 1.650 121.636 119.914 0.120 0.000 2.524 91 V HA 0.494 4.614 4.120 -0.001 0.000 0.297 91 V C -0.028 175.926 176.094 -0.233 0.000 1.035 91 V CA -0.392 61.862 62.300 -0.078 0.000 0.867 91 V CB 1.964 33.763 31.823 -0.039 0.000 1.004 91 V HN 0.953 nan 8.190 nan 0.000 0.426 92 T N 4.868 119.155 114.554 -0.445 0.000 2.761 92 T HA 0.440 4.790 4.350 -0.001 0.000 0.296 92 T C 0.433 174.803 174.700 -0.551 0.000 0.934 92 T CA 0.344 62.059 62.100 -0.642 0.000 1.091 92 T CB 0.030 68.371 68.868 -0.878 0.000 0.896 92 T HN 0.990 nan 8.240 nan 0.000 0.515 93 H N 0.411 119.362 119.070 -0.199 0.000 1.452 93 H HA -0.283 4.272 4.556 -0.001 0.000 0.090 93 H C -0.038 175.245 175.328 -0.075 0.000 0.968 93 H CA 1.567 57.555 56.048 -0.101 0.000 1.901 93 H CB -0.939 28.788 29.762 -0.060 0.000 2.257 93 H HN 0.740 nan 8.280 nan 0.000 0.961 94 Y N 1.951 122.209 120.300 -0.069 0.000 2.299 94 Y HA 0.498 5.047 4.550 -0.001 0.000 0.326 94 Y C 0.477 176.252 175.900 -0.208 0.000 1.164 94 Y CA 0.060 58.051 58.100 -0.183 0.000 1.234 94 Y CB 1.306 39.671 38.460 -0.158 0.000 1.219 94 Y HN 0.714 nan 8.280 nan 0.000 0.497 95 G N 5.571 113.753 108.800 -1.030 0.000 2.617 95 G HA2 0.430 4.390 3.960 -0.001 0.000 0.306 95 G HA3 0.430 4.390 3.960 -0.001 0.000 0.306 95 G C -2.086 172.180 174.900 -1.058 0.000 1.360 95 G CA -1.074 43.516 45.100 -0.850 0.000 0.983 95 G HN 0.675 nan 8.290 nan 0.000 0.496 96 K N 1.388 121.340 120.400 -0.746 0.000 2.270 96 K HA 0.693 5.013 4.320 -0.001 0.000 0.255 96 K C -1.192 175.018 176.600 -0.649 0.000 0.936 96 K CA -0.604 55.258 56.287 -0.708 0.000 0.809 96 K CB 2.309 34.449 32.500 -0.601 0.000 1.131 96 K HN 0.268 nan 8.250 nan 0.000 0.427 97 V N 4.191 123.673 119.914 -0.721 0.000 2.540 97 V HA 0.482 4.602 4.120 -0.001 0.000 0.302 97 V C -0.860 174.924 176.094 -0.518 0.000 1.035 97 V CA -0.853 61.228 62.300 -0.366 0.000 0.873 97 V CB 1.393 33.150 31.823 -0.111 0.000 0.992 97 V HN 0.728 nan 8.190 nan 0.000 0.428 98 W N 2.835 124.176 121.300 0.068 0.000 2.632 98 W HA 0.625 5.285 4.660 -0.001 0.000 0.328 98 W C -0.921 175.682 176.519 0.140 0.000 1.044 98 W CA -0.753 56.620 57.345 0.047 0.000 1.225 98 W CB 2.227 31.729 29.460 0.069 0.000 1.396 98 W HN 0.266 nan 8.180 nan 0.000 0.499 99 V N 3.154 123.238 119.914 0.284 0.000 2.294 99 V HA 0.056 4.175 4.120 -0.001 0.000 0.272 99 V C 0.160 176.404 176.094 0.250 0.000 1.027 99 V CA -0.607 61.840 62.300 0.244 0.000 0.823 99 V CB 0.101 32.036 31.823 0.185 0.000 1.030 99 V HN 0.742 nan 8.190 nan 0.000 0.457 100 N N 5.023 123.883 118.700 0.267 0.000 2.688 100 N HA -0.239 4.501 4.740 -0.001 0.000 0.258 100 N C 0.246 175.917 175.510 0.268 0.000 1.016 100 N CA 0.756 53.941 53.050 0.224 0.000 0.747 100 N CB -1.018 37.557 38.487 0.147 0.000 0.895 100 N HN 1.007 nan 8.380 nan 0.000 0.543 101 N N -1.901 117.053 118.700 0.423 0.000 2.776 101 N HA -0.270 4.470 4.740 -0.001 0.000 0.249 101 N C -0.787 174.919 175.510 0.327 0.000 1.111 101 N CA 0.628 53.973 53.050 0.492 0.000 0.711 101 N CB -0.495 38.178 38.487 0.309 0.000 1.065 101 N HN 0.576 nan 8.380 nan 0.000 0.556 102 Q N 1.317 121.273 119.800 0.261 0.000 2.414 102 Q HA 0.243 4.582 4.340 -0.001 0.000 0.256 102 Q C -1.139 174.812 176.000 -0.082 0.000 0.974 102 Q CA -0.539 55.262 55.803 -0.003 0.000 0.723 102 Q CB 1.070 29.653 28.738 -0.258 0.000 1.281 102 Q HN 0.284 nan 8.270 nan 0.000 0.470 103 E N 3.479 123.567 120.200 -0.188 0.000 2.415 103 E HA 0.278 4.628 4.350 -0.001 0.000 0.260 103 E C -0.352 175.991 176.600 -0.429 0.000 1.016 103 E CA -0.176 55.856 56.400 -0.613 0.000 0.924 103 E CB 0.514 29.806 29.700 -0.680 0.000 0.961 103 E HN 0.519 nan 8.360 nan 0.000 0.459 107 H N 2.085 120.642 119.070 -0.855 0.000 2.954 107 H HA 0.424 4.980 4.556 -0.001 0.000 0.361 107 H C -1.625 173.395 175.328 -0.514 0.000 1.122 107 H CA -0.429 55.156 56.048 -0.771 0.000 1.217 107 H CB 1.896 30.745 29.762 -1.522 0.000 1.776 107 H HN 0.299 nan 8.280 nan 0.000 0.533 108 Q N 3.270 122.601 119.800 -0.781 0.000 2.333 108 Q HA 0.637 4.976 4.340 -0.001 0.000 0.265 108 Q C -0.788 174.869 176.000 -0.570 0.000 0.989 108 Q CA 0.199 55.747 55.803 -0.426 0.000 0.842 108 Q CB 1.376 30.023 28.738 -0.152 0.000 1.262 108 Q HN 1.061 nan 8.270 nan 0.000 0.451 109 G N 0.929 109.586 108.800 -0.238 0.000 2.329 109 G HA2 0.362 4.322 3.960 -0.001 0.000 0.308 109 G HA3 0.362 4.322 3.960 -0.001 0.000 0.308 109 G C -0.244 174.683 174.900 0.046 0.000 1.587 109 G CA -0.211 44.896 45.100 0.012 0.000 0.978 109 G HN 0.689 nan 8.290 nan 0.000 0.685 110 G N -1.305 107.482 108.800 -0.022 0.000 3.228 110 G HA2 0.413 4.373 3.960 -0.001 0.000 0.245 110 G HA3 0.413 4.373 3.960 -0.001 0.000 0.245 110 G C 0.447 174.938 174.900 -0.680 0.000 1.051 110 G CA 0.496 45.255 45.100 -0.569 0.000 0.809 110 G HN 0.562 nan 8.290 nan 0.000 0.531 111 Y N 0.939 121.364 120.300 0.208 0.000 2.610 111 Y HA 0.278 4.827 4.550 -0.001 0.000 0.254 111 Y C 0.888 176.928 175.900 0.233 0.000 1.110 111 Y CA -0.292 57.944 58.100 0.226 0.000 1.238 111 Y CB 0.668 39.291 38.460 0.272 0.000 1.322 111 Y HN 0.148 nan 8.280 nan 0.000 0.547 112 T N -2.245 112.511 114.554 0.337 0.000 2.906 112 T HA 0.634 4.984 4.350 -0.001 0.000 0.295 112 T C -3.219 171.579 174.700 0.163 0.000 1.075 112 T CA -2.678 59.575 62.100 0.254 0.000 1.005 112 T CB 2.832 71.854 68.868 0.257 0.000 1.136 112 T HN -0.346 nan 8.240 nan 0.000 0.498 113 P HA 0.553 nan 4.420 nan 0.000 0.276 113 P C -1.048 176.282 177.300 0.050 0.000 1.244 113 P CA -0.651 62.484 63.100 0.058 0.000 0.801 113 P CB 0.168 31.886 31.700 0.030 0.000 1.006 114 F N -1.701 118.145 119.950 -0.173 0.000 2.591 114 F HA 0.737 5.263 4.527 -0.001 0.000 0.309 114 F C -0.542 175.294 175.800 0.059 0.000 1.098 114 F CA -1.107 56.807 58.000 -0.145 0.000 0.937 114 F CB 2.134 40.948 39.000 -0.309 0.000 1.250 114 F HN 0.326 nan 8.300 nan 0.000 0.447 115 E N 2.182 122.449 120.200 0.113 0.000 2.356 115 E HA 0.830 5.179 4.350 -0.001 0.000 0.275 115 E C -1.989 174.679 176.600 0.113 0.000 0.904 115 E CA -1.474 54.980 56.400 0.090 0.000 0.757 115 E CB 2.416 32.195 29.700 0.132 0.000 1.232 115 E HN 1.031 nan 8.360 nan 0.000 0.442 116 A N 1.951 124.818 122.820 0.079 0.000 2.414 116 A HA 0.382 4.702 4.320 -0.001 0.000 0.306 116 A C -1.153 176.430 177.584 -0.002 0.000 1.054 116 A CA -0.836 51.241 52.037 0.066 0.000 0.724 116 A CB 1.696 20.751 19.000 0.092 0.000 1.267 116 A HN 0.690 nan 8.150 nan 0.000 0.418 117 D N 2.122 122.510 120.400 -0.020 0.000 2.338 117 D HA 0.244 4.884 4.640 -0.001 0.000 0.255 117 D C 0.866 177.160 176.300 -0.009 0.000 1.237 117 D CA 0.323 54.265 54.000 -0.097 0.000 0.883 117 D CB 0.939 41.668 40.800 -0.118 0.000 1.087 117 D HN 0.545 nan 8.370 nan 0.000 0.485 118 V N 1.069 120.973 119.914 -0.017 0.000 3.427 118 V HA 0.089 4.208 4.120 -0.001 0.000 0.305 118 V C 1.745 177.828 176.094 -0.019 0.000 1.412 118 V CA 0.133 62.495 62.300 0.105 0.000 1.086 118 V CB -0.364 31.544 31.823 0.142 0.000 0.964 118 V HN 0.419 nan 8.190 nan 0.000 0.439 119 T N 2.196 116.681 114.554 -0.114 0.000 2.620 119 T HA -0.145 4.205 4.350 -0.001 0.000 0.267 119 T C -0.225 174.352 174.700 -0.204 0.000 1.044 119 T CA 2.742 64.764 62.100 -0.129 0.000 1.161 119 T CB -1.477 67.306 68.868 -0.142 0.000 0.862 119 T HN 0.522 nan 8.240 nan 0.000 0.438 120 P HA 0.045 nan 4.420 nan 0.000 0.242 120 P C -0.031 176.898 177.300 -0.619 0.000 1.197 120 P CA 0.765 63.532 63.100 -0.556 0.000 0.765 120 P CB -0.234 31.033 31.700 -0.722 0.000 0.936 121 Y N -2.819 117.496 120.300 0.025 0.000 2.557 121 Y HA 0.345 4.894 4.550 -0.001 0.000 0.247 121 Y C 0.635 176.557 175.900 0.036 0.000 1.164 121 Y CA -0.520 57.603 58.100 0.039 0.000 1.218 121 Y CB 0.371 38.862 38.460 0.051 0.000 1.210 121 Y HN -0.303 nan 8.280 nan 0.000 0.529 122 V N 1.051 121.014 119.914 0.082 0.000 2.876 122 V HA 0.452 4.571 4.120 -0.001 0.000 0.312 122 V C -1.238 174.869 176.094 0.021 0.000 1.085 122 V CA -0.964 61.371 62.300 0.058 0.000 0.945 122 V CB 2.909 34.771 31.823 0.066 0.000 1.017 122 V HN -0.133 nan 8.190 nan 0.000 0.428 123 I N 3.538 124.113 120.570 0.008 0.000 2.382 123 I HA 0.586 4.755 4.170 -0.001 0.000 0.285 123 I C 0.623 176.737 176.117 -0.005 0.000 1.007 123 I CA -0.643 60.658 61.300 0.001 0.000 1.142 123 I CB 1.359 39.356 38.000 -0.005 0.000 1.289 123 I HN 0.732 nan 8.210 nan 0.000 0.453 124 A N 5.046 127.878 122.820 0.020 0.000 2.553 124 A HA 0.455 4.775 4.320 -0.001 0.000 0.258 124 A C 1.307 178.892 177.584 0.002 0.000 1.069 124 A CA 0.956 53.004 52.037 0.019 0.000 0.767 124 A CB -0.799 18.244 19.000 0.072 0.000 0.997 124 A HN 1.575 nan 8.150 nan 0.000 0.512 125 G N 1.876 110.671 108.800 -0.009 0.000 2.179 125 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.220 125 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.220 125 G C 0.286 175.223 174.900 0.063 0.000 0.990 125 G CA 0.390 45.525 45.100 0.059 0.000 0.646 125 G HN 0.725 nan 8.290 nan 0.000 0.517 126 K N 0.140 120.489 120.400 -0.084 0.000 2.280 126 K HA 0.725 5.045 4.320 -0.001 0.000 0.234 126 K C -0.385 175.890 176.600 -0.541 0.000 1.028 126 K CA -0.383 55.757 56.287 -0.246 0.000 0.882 126 K CB 1.654 34.069 32.500 -0.142 0.000 1.194 126 K HN 0.149 nan 8.250 nan 0.000 0.458 127 S N 0.716 116.029 115.700 -0.645 0.000 2.451 127 S HA 0.484 4.954 4.470 -0.001 0.000 0.301 127 S C -0.775 173.638 174.600 -0.311 0.000 1.116 127 S CA -0.730 57.047 58.200 -0.705 0.000 1.093 127 S CB 0.636 63.337 63.200 -0.832 0.000 1.017 127 S HN 0.366 nan 8.310 nan 0.000 0.482 128 V N 3.570 123.354 119.914 -0.217 0.000 2.864 128 V HA 0.753 4.873 4.120 -0.001 0.000 0.314 128 V C -0.535 175.527 176.094 -0.054 0.000 1.073 128 V CA -1.214 61.032 62.300 -0.089 0.000 0.956 128 V CB 1.737 33.542 31.823 -0.030 0.000 1.023 128 V HN 0.963 nan 8.190 nan 0.000 0.435 129 R N 3.222 123.728 120.500 0.010 0.000 2.393 129 R HA 0.742 5.081 4.340 -0.001 0.000 0.310 129 R C -1.422 174.962 176.300 0.140 0.000 0.968 129 R CA -0.714 55.415 56.100 0.048 0.000 0.867 129 R CB 1.364 31.697 30.300 0.056 0.000 1.124 129 R HN 0.909 nan 8.270 nan 0.000 0.450 130 I N 3.996 124.661 120.570 0.159 0.000 2.439 130 I HA 0.237 4.407 4.170 -0.001 0.000 0.285 130 I C -0.679 175.696 176.117 0.431 0.000 1.021 130 I CA -0.665 60.808 61.300 0.289 0.000 1.091 130 I CB 2.408 40.547 38.000 0.231 0.000 1.242 130 I HN 0.632 nan 8.210 nan 0.000 0.439 131 T N 5.506 120.408 114.554 0.580 0.000 2.823 131 T HA 0.578 4.928 4.350 -0.001 0.000 0.279 131 T C -0.243 174.928 174.700 0.784 0.000 0.998 131 T CA -0.556 61.978 62.100 0.725 0.000 0.994 131 T CB 2.218 71.552 68.868 0.777 0.000 0.960 131 T HN 0.161 nan 8.240 nan 0.000 0.448 132 V N 1.865 122.198 119.914 0.699 0.000 2.495 132 V HA 0.465 4.585 4.120 -0.001 0.000 0.298 132 V C -0.051 176.191 176.094 0.247 0.000 1.031 132 V CA -1.016 61.535 62.300 0.417 0.000 0.871 132 V CB 1.689 33.669 31.823 0.262 0.000 0.988 132 V HN 1.112 nan 8.190 nan 0.000 0.432 133 C N 6.401 125.668 119.300 -0.054 0.000 2.264 133 C HA 0.791 5.251 4.460 -0.001 0.000 0.324 133 C C -0.162 174.683 174.990 -0.242 0.000 1.267 133 C CA -0.158 58.533 59.018 -0.545 0.000 1.618 133 C CB -0.228 27.047 27.740 -0.774 0.000 2.278 133 C HN 0.725 nan 8.230 nan 0.000 0.499 134 V N 6.534 126.374 119.914 -0.124 0.000 2.513 134 V HA 0.505 4.625 4.120 -0.001 0.000 0.299 134 V C -0.189 175.965 176.094 0.099 0.000 1.035 134 V CA -0.422 61.881 62.300 0.005 0.000 0.889 134 V CB 1.832 33.730 31.823 0.125 0.000 0.988 134 V HN 0.904 nan 8.190 nan 0.000 0.440 135 N N 2.452 121.256 118.700 0.174 0.000 2.258 135 N HA 0.414 5.154 4.740 -0.001 0.000 0.299 135 N C 0.100 175.721 175.510 0.186 0.000 1.047 135 N CA -0.606 52.549 53.050 0.175 0.000 0.814 135 N CB 1.476 40.046 38.487 0.138 0.000 1.413 135 N HN 0.703 nan 8.380 nan 0.000 0.478 136 N N 1.823 120.632 118.700 0.181 0.000 2.275 136 N HA 0.110 4.850 4.740 -0.001 0.000 0.236 136 N C -1.014 174.543 175.510 0.078 0.000 1.154 136 N CA -0.171 53.020 53.050 0.235 0.000 0.866 136 N CB 0.103 38.753 38.487 0.272 0.000 1.093 136 N HN 0.587 nan 8.380 nan 0.000 0.515 137 E N 0.565 120.746 120.200 -0.031 0.000 2.277 137 E HA 0.460 4.810 4.350 -0.001 0.000 0.274 137 E C -0.473 175.977 176.600 -0.251 0.000 1.022 137 E CA -0.614 55.695 56.400 -0.152 0.000 0.853 137 E CB 1.829 31.442 29.700 -0.146 0.000 1.086 137 E HN 0.153 nan 8.360 nan 0.000 0.397 138 L N 2.181 123.216 121.223 -0.315 0.000 2.341 138 L HA 0.507 4.847 4.340 -0.001 0.000 0.267 138 L C -0.211 176.459 176.870 -0.333 0.000 1.009 138 L CA -0.890 53.727 54.840 -0.372 0.000 0.819 138 L CB 1.381 43.160 42.059 -0.468 0.000 1.323 138 L HN 0.663 nan 8.230 nan 0.000 0.425 139 N N -1.122 117.388 118.700 -0.317 0.000 3.316 139 N HA 0.243 4.983 4.740 -0.001 0.000 0.300 139 N C -0.420 174.902 175.510 -0.314 0.000 1.567 139 N CA -0.897 51.970 53.050 -0.305 0.000 0.821 139 N CB 0.307 38.705 38.487 -0.148 0.000 1.748 139 N HN 0.526 nan 8.380 nan 0.000 0.603 140 W N -1.050 120.200 121.300 -0.083 0.000 2.699 140 W HA 0.094 4.754 4.660 0.000 0.000 0.249 140 W C 1.047 177.508 176.519 -0.097 0.000 1.280 140 W CA 0.291 57.576 57.345 -0.101 0.000 1.345 140 W CB 0.253 29.660 29.460 -0.088 0.000 1.128 140 W HN 0.510 nan 8.180 nan 0.000 0.642 141 Q N -1.141 118.727 119.800 0.113 0.000 2.282 141 Q HA 0.099 4.438 4.340 -0.001 0.000 0.206 141 Q C 0.824 176.848 176.000 0.041 0.000 0.878 141 Q CA 0.400 56.257 55.803 0.089 0.000 0.944 141 Q CB 0.436 29.215 28.738 0.069 0.000 1.100 141 Q HN -0.171 nan 8.270 nan 0.000 0.509 142 T N 0.213 114.749 114.554 -0.030 0.000 2.909 142 T HA 0.383 4.732 4.350 -0.001 0.000 0.289 142 T C -0.360 174.338 174.700 -0.004 0.000 1.005 142 T CA -0.430 61.639 62.100 -0.052 0.000 1.084 142 T CB 0.340 69.116 68.868 -0.154 0.000 0.975 142 T HN 0.009 nan 8.240 nan 0.000 0.509 143 I N 7.805 128.410 120.570 0.059 0.000 2.371 143 I HA 0.341 4.510 4.170 -0.001 0.000 0.282 143 I C -1.989 174.236 176.117 0.181 0.000 1.031 143 I CA -2.715 58.666 61.300 0.135 0.000 1.180 143 I CB 0.895 38.975 38.000 0.133 0.000 1.336 143 I HN 0.520 nan 8.210 nan 0.000 0.467 144 P HA 0.446 nan 4.420 nan 0.000 0.278 144 P C -2.864 174.399 177.300 -0.062 0.000 1.258 144 P CA -1.775 61.392 63.100 0.112 0.000 0.811 144 P CB 0.903 32.664 31.700 0.101 0.000 1.063 145 P HA 0.413 nan 4.420 nan 0.000 0.279 145 P C -0.150 176.825 177.300 -0.542 0.000 1.252 145 P CA 0.116 62.993 63.100 -0.372 0.000 0.811 145 P CB 1.084 32.500 31.700 -0.474 0.000 1.035 149 I N 4.998 125.532 120.570 -0.060 0.000 2.389 149 I HA 0.635 4.804 4.170 -0.001 0.000 0.288 149 I C 0.261 176.360 176.117 -0.030 0.000 0.999 149 I CA -0.317 60.963 61.300 -0.033 0.000 1.129 149 I CB 2.326 40.311 38.000 -0.026 0.000 1.288 149 I HN 0.893 nan 8.210 nan 0.000 0.444 150 T N 1.046 115.587 114.554 -0.021 0.000 2.758 150 T HA 0.459 4.808 4.350 -0.001 0.000 0.285 150 T C -0.309 174.386 174.700 -0.007 0.000 0.981 150 T CA -1.036 61.053 62.100 -0.017 0.000 0.965 150 T CB 0.907 69.764 68.868 -0.019 0.000 0.927 150 T HN 0.542 nan 8.240 nan 0.000 0.448 151 D N 2.010 122.407 120.400 -0.004 0.000 2.393 151 D HA 0.036 4.675 4.640 -0.001 0.000 0.246 151 D C 1.418 177.719 176.300 0.003 0.000 1.275 151 D CA -0.658 53.343 54.000 0.002 0.000 0.979 151 D CB 0.498 41.302 40.800 0.006 0.000 1.101 151 D HN 0.725 nan 8.370 nan 0.000 0.505 152 E N -0.807 119.396 120.200 0.005 0.000 2.331 152 E HA -0.250 4.100 4.350 -0.001 0.000 0.199 152 E C 0.620 177.224 176.600 0.006 0.000 1.008 152 E CA 0.745 57.148 56.400 0.005 0.000 0.843 152 E CB -0.463 29.241 29.700 0.006 0.000 0.761 152 E HN 0.342 nan 8.360 nan 0.000 0.507 153 N N 0.270 118.974 118.700 0.008 0.000 2.280 153 N HA 0.036 4.775 4.740 -0.001 0.000 0.192 153 N C 0.976 176.491 175.510 0.009 0.000 1.109 153 N CA 0.822 53.878 53.050 0.010 0.000 0.855 153 N CB 1.250 39.745 38.487 0.014 0.000 0.974 153 N HN 0.451 nan 8.380 nan 0.000 0.482 154 G N 1.400 110.203 108.800 0.005 0.000 2.176 154 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.253 154 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.253 154 G C 0.191 175.092 174.900 0.002 0.000 0.979 154 G CA -0.062 45.040 45.100 0.002 0.000 0.641 154 G HN 0.289 nan 8.290 nan 0.000 0.530 155 K N 1.423 121.827 120.400 0.006 0.000 2.315 155 K HA 0.283 4.602 4.320 -0.001 0.000 0.291 155 K C 0.523 177.118 176.600 -0.009 0.000 1.074 155 K CA -0.280 56.012 56.287 0.008 0.000 0.936 155 K CB 0.095 32.608 32.500 0.022 0.000 1.049 155 K HN 0.342 nan 8.250 nan 0.000 0.471 156 K N 3.249 123.631 120.400 -0.030 0.000 2.382 156 K HA 0.069 4.389 4.320 -0.001 0.000 0.275 156 K C -0.160 176.409 176.600 -0.051 0.000 1.009 156 K CA 0.313 56.568 56.287 -0.054 0.000 0.970 156 K CB 0.676 33.121 32.500 -0.092 0.000 0.934 156 K HN 0.341 nan 8.250 nan 0.000 0.479 157 K N 2.655 123.025 120.400 -0.050 0.000 2.601 157 K HA 0.087 4.407 4.320 -0.001 0.000 0.249 157 K C -1.345 175.218 176.600 -0.061 0.000 0.966 157 K CA -0.695 55.569 56.287 -0.039 0.000 0.827 157 K CB 1.735 34.222 32.500 -0.021 0.000 1.178 157 K HN 0.409 nan 8.250 nan 0.000 0.437 158 Q N 2.011 121.774 119.800 -0.061 0.000 2.304 158 Q HA 0.214 4.554 4.340 -0.001 0.000 0.260 158 Q C -0.871 175.098 176.000 -0.052 0.000 0.965 158 Q CA 0.135 55.892 55.803 -0.076 0.000 0.898 158 Q CB 1.069 29.753 28.738 -0.091 0.000 1.196 158 Q HN 0.566 nan 8.270 nan 0.000 0.402 159 S N 3.461 119.087 115.700 -0.124 0.000 2.568 159 S HA 0.871 5.341 4.470 -0.001 0.000 0.293 159 S C -1.234 173.135 174.600 -0.385 0.000 1.089 159 S CA -0.637 57.418 58.200 -0.242 0.000 0.945 159 S CB 0.896 63.969 63.200 -0.212 0.000 1.077 159 S HN 0.662 nan 8.310 nan 0.000 0.485 160 Y N -1.569 118.271 120.300 -0.765 0.000 2.705 160 Y HA 0.730 5.279 4.550 -0.001 0.000 0.332 160 Y C -0.924 174.377 175.900 -0.998 0.000 1.221 160 Y CA -1.607 55.773 58.100 -1.200 0.000 1.059 160 Y CB 0.517 38.380 38.460 -0.995 0.000 1.298 160 Y HN 0.425 nan 8.280 nan 0.000 0.459 161 F N 0.851 120.685 119.950 -0.194 0.000 2.654 161 F HA 0.258 4.785 4.527 -0.001 0.000 0.303 161 F C 0.452 176.242 175.800 -0.018 0.000 1.099 161 F CA -0.900 57.029 58.000 -0.118 0.000 1.270 161 F CB -0.326 38.654 39.000 -0.033 0.000 1.024 161 F HN 0.563 nan 8.300 nan 0.000 0.548 162 H N -2.238 116.868 119.070 0.060 0.000 2.651 162 H HA 0.371 4.927 4.556 -0.001 0.000 0.353 162 H C 0.146 175.499 175.328 0.042 0.000 1.178 162 H CA -0.727 55.355 56.048 0.056 0.000 1.224 162 H CB 1.444 31.169 29.762 -0.062 0.000 1.702 162 H HN -0.136 nan 8.280 nan 0.000 0.550 163 D N 1.171 121.796 120.400 0.375 0.000 2.081 163 D HA -0.086 4.554 4.640 -0.001 0.000 0.194 163 D C 0.700 177.278 176.300 0.464 0.000 0.986 163 D CA 0.962 55.225 54.000 0.438 0.000 0.837 163 D CB -0.304 40.953 40.800 0.760 0.000 0.985 163 D HN 0.491 nan 8.370 nan 0.000 0.448 164 F N -0.232 120.126 119.950 0.681 0.000 2.589 164 F HA 0.166 4.691 4.527 -0.003 0.000 0.352 164 F C 0.288 176.412 175.800 0.541 0.000 1.168 164 F CA -1.228 57.111 58.000 0.565 0.000 1.353 164 F CB -0.271 38.848 39.000 0.198 0.000 1.116 164 F HN -0.167 nan 8.300 nan 0.000 0.608 165 F N 2.863 123.038 119.950 0.375 0.000 2.529 165 F HA 0.150 4.680 4.527 0.004 0.000 0.365 165 F C 0.508 176.328 175.800 0.033 0.000 1.102 165 F CA -0.382 57.678 58.000 0.100 0.000 1.271 165 F CB 0.114 38.965 39.000 -0.248 0.000 1.120 165 F HN 0.630 nan 8.300 nan 0.000 0.579 166 N N 5.242 123.414 118.700 -0.881 0.000 2.406 166 N HA 0.047 4.787 4.740 -0.001 0.000 0.269 166 N C -1.533 173.582 175.510 -0.659 0.000 1.210 166 N CA 0.218 52.852 53.050 -0.693 0.000 0.966 166 N CB -0.345 37.508 38.487 -1.056 0.000 1.293 166 N HN 0.406 nan 8.380 nan 0.000 0.491 167 Y N 1.457 121.741 120.300 -0.028 0.000 2.376 167 Y HA 0.663 5.211 4.550 -0.003 0.000 0.325 167 Y C 0.587 176.499 175.900 0.020 0.000 1.199 167 Y CA -0.612 57.547 58.100 0.097 0.000 1.206 167 Y CB 1.598 40.171 38.460 0.188 0.000 1.229 167 Y HN 0.514 nan 8.280 nan 0.000 0.480 168 A N 0.781 123.639 122.820 0.063 0.000 2.564 168 A HA 0.949 5.269 4.320 -0.001 0.000 0.288 168 A C -0.217 177.337 177.584 -0.050 0.000 1.164 168 A CA -0.166 51.827 52.037 -0.073 0.000 0.712 168 A CB 1.472 20.516 19.000 0.074 0.000 1.303 168 A HN 1.394 nan 8.150 nan 0.000 0.418 169 G N -1.273 107.487 108.800 -0.066 0.000 2.331 169 G HA2 0.294 4.253 3.960 -0.001 0.000 0.402 169 G HA3 0.294 4.253 3.960 -0.001 0.000 0.402 169 G C -1.034 173.656 174.900 -0.349 0.000 1.275 169 G CA -0.459 44.730 45.100 0.149 0.000 1.003 169 G HN 1.077 nan 8.290 nan 0.000 0.500 170 I N 1.446 121.792 120.570 -0.373 0.000 2.278 170 I HA 0.241 4.410 4.170 -0.001 0.000 0.296 170 I C 1.192 177.212 176.117 -0.162 0.000 1.121 170 I CA -0.173 60.899 61.300 -0.380 0.000 1.267 170 I CB 0.420 38.085 38.000 -0.557 0.000 1.447 170 I HN 0.632 nan 8.210 nan 0.000 0.509 171 H N 5.038 124.058 119.070 -0.084 0.000 2.535 171 H HA 0.217 4.773 4.556 0.000 0.000 0.273 171 H C 0.600 175.936 175.328 0.012 0.000 0.983 171 H CA 0.237 56.260 56.048 -0.042 0.000 1.238 171 H CB 0.468 30.203 29.762 -0.045 0.000 1.412 171 H HN 0.488 nan 8.280 nan 0.000 0.562 172 R N -0.046 120.521 120.500 0.111 0.000 2.905 172 R HA 0.286 4.626 4.340 -0.001 0.000 0.260 172 R C -0.399 175.912 176.300 0.018 0.000 1.086 172 R CA -0.742 55.407 56.100 0.080 0.000 0.978 172 R CB 1.703 32.036 30.300 0.054 0.000 1.215 172 R HN 0.038 nan 8.270 nan 0.000 0.480 173 S N 0.220 115.919 115.700 -0.002 0.000 2.573 173 S HA 0.254 4.724 4.470 -0.001 0.000 0.277 173 S C 0.529 175.080 174.600 -0.083 0.000 1.346 173 S CA -0.876 57.313 58.200 -0.017 0.000 1.034 173 S CB 0.708 63.903 63.200 -0.008 0.000 0.879 173 S HN 0.454 nan 8.310 nan 0.000 0.528 177 Y N -0.034 120.288 120.300 0.036 0.000 2.644 177 Y HA 0.885 5.435 4.550 -0.000 0.000 0.338 177 Y C -0.885 174.763 175.900 -0.420 0.000 1.119 177 Y CA -0.820 57.190 58.100 -0.150 0.000 1.060 177 Y CB 2.083 40.486 38.460 -0.094 0.000 1.294 177 Y HN 0.443 nan 8.280 nan 0.000 0.472 178 T N 1.688 115.981 114.554 -0.435 0.000 2.863 178 T HA 0.619 4.969 4.350 -0.001 0.000 0.285 178 T C -1.116 173.382 174.700 -0.337 0.000 1.009 178 T CA -0.395 61.299 62.100 -0.678 0.000 0.989 178 T CB 1.687 69.894 68.868 -1.101 0.000 1.004 178 T HN 0.860 nan 8.240 nan 0.000 0.455 179 T N 3.011 117.331 114.554 -0.392 0.000 2.841 179 T HA 0.689 5.039 4.350 -0.001 0.000 0.296 179 T C -2.695 171.856 174.700 -0.248 0.000 1.166 179 T CA -1.693 60.261 62.100 -0.244 0.000 1.007 179 T CB 1.729 70.457 68.868 -0.232 0.000 1.253 179 T HN 0.252 nan 8.240 nan 0.000 0.511 180 P HA 0.445 nan 4.420 nan 0.000 0.279 180 P C -0.179 177.141 177.300 0.034 0.000 1.276 180 P CA -0.426 62.652 63.100 -0.037 0.000 0.801 180 P CB 0.532 32.250 31.700 0.031 0.000 1.127 181 N N -2.353 116.403 118.700 0.093 0.000 2.467 181 N HA 0.015 4.755 4.740 -0.001 0.000 0.184 181 N C -0.285 175.479 175.510 0.423 0.000 1.106 181 N CA 0.675 53.852 53.050 0.212 0.000 0.892 181 N CB -0.279 38.266 38.487 0.097 0.000 0.969 181 N HN 0.282 nan 8.380 nan 0.000 0.454 182 T N 1.999 116.742 114.554 0.316 0.000 2.749 182 T HA 0.371 4.721 4.350 -0.001 0.000 0.287 182 T C -1.032 173.859 174.700 0.319 0.000 0.970 182 T CA -0.634 61.577 62.100 0.186 0.000 0.980 182 T CB 0.559 69.466 68.868 0.064 0.000 0.924 182 T HN 0.218 nan 8.240 nan 0.000 0.456 183 W N 1.242 122.508 121.300 -0.056 0.000 3.571 183 W HA 0.477 5.137 4.660 -0.001 0.000 0.294 183 W C -1.514 174.960 176.519 -0.074 0.000 1.257 183 W CA -1.399 55.917 57.345 -0.048 0.000 1.206 183 W CB -0.246 29.189 29.460 -0.041 0.000 1.325 183 W HN 0.223 nan 8.180 nan 0.000 0.546 184 V N 3.493 123.430 119.914 0.039 0.000 2.529 184 V HA -0.014 4.105 4.120 -0.001 0.000 0.292 184 V C 0.954 177.013 176.094 -0.058 0.000 1.028 184 V CA 0.859 63.094 62.300 -0.108 0.000 1.074 184 V CB 0.535 32.311 31.823 -0.078 0.000 0.958 184 V HN 0.637 nan 8.190 nan 0.000 0.481 185 D N 1.177 121.446 120.400 -0.219 0.000 2.469 185 D HA 0.162 4.802 4.640 -0.001 0.000 0.213 185 D C -0.017 176.280 176.300 -0.004 0.000 1.135 185 D CA -0.040 53.932 54.000 -0.046 0.000 0.834 185 D CB 0.719 41.486 40.800 -0.054 0.000 1.009 185 D HN 0.511 nan 8.370 nan 0.000 0.507 186 D N -0.173 120.191 120.400 -0.061 0.000 2.927 186 D HA 0.482 5.121 4.640 -0.001 0.000 0.219 186 D C -1.196 175.079 176.300 -0.041 0.000 1.248 186 D CA -0.423 53.627 54.000 0.083 0.000 0.861 186 D CB 1.954 42.989 40.800 0.391 0.000 1.677 186 D HN 0.004 nan 8.370 nan 0.000 0.511 187 I N 1.090 121.738 120.570 0.131 0.000 2.769 187 I HA 0.493 4.663 4.170 -0.001 0.000 0.298 187 I C -0.518 175.862 176.117 0.437 0.000 1.128 187 I CA -0.663 60.746 61.300 0.181 0.000 1.031 187 I CB 2.684 40.699 38.000 0.024 0.000 1.235 187 I HN 0.148 nan 8.210 nan 0.000 0.423 188 T N 3.830 118.725 114.554 0.568 0.000 2.921 188 T HA 0.560 4.909 4.350 -0.001 0.000 0.297 188 T C -0.835 173.965 174.700 0.167 0.000 1.013 188 T CA -0.476 61.788 62.100 0.274 0.000 0.990 188 T CB 2.233 71.082 68.868 -0.032 0.000 1.023 188 T HN 0.217 nan 8.240 nan 0.000 0.447 189 V N 3.287 123.233 119.914 0.054 0.000 2.656 189 V HA 0.695 4.815 4.120 -0.001 0.000 0.307 189 V C -0.579 175.483 176.094 -0.053 0.000 1.051 189 V CA -0.758 61.552 62.300 0.017 0.000 0.893 189 V CB 2.087 33.915 31.823 0.008 0.000 0.999 189 V HN 0.722 nan 8.190 nan 0.000 0.426 190 V N 2.875 122.740 119.914 -0.082 0.000 2.588 190 V HA 0.531 4.650 4.120 -0.001 0.000 0.304 190 V C -0.004 175.907 176.094 -0.306 0.000 1.042 190 V CA -0.349 61.823 62.300 -0.214 0.000 0.877 190 V CB 2.223 33.913 31.823 -0.223 0.000 0.996 190 V HN 0.915 nan 8.190 nan 0.000 0.425 191 T N 3.815 118.146 114.554 -0.372 0.000 2.771 191 T HA 0.591 4.941 4.350 -0.001 0.000 0.281 191 T C -0.718 173.707 174.700 -0.458 0.000 0.982 191 T CA -0.263 61.656 62.100 -0.302 0.000 0.978 191 T CB 0.509 69.276 68.868 -0.169 0.000 0.930 191 T HN 0.746 nan 8.240 nan 0.000 0.447 192 H N 0.342 119.283 119.070 -0.215 0.000 2.621 192 H HA 0.801 5.357 4.556 -0.000 0.000 0.360 192 H C -0.408 174.694 175.328 -0.376 0.000 1.163 192 H CA -0.728 55.087 56.048 -0.388 0.000 1.194 192 H CB 1.906 31.271 29.762 -0.661 0.000 1.649 192 H HN 0.454 nan 8.280 nan 0.000 0.532 193 V N 0.049 119.924 119.914 -0.064 0.000 3.098 193 V HA 0.777 4.897 4.120 -0.001 0.000 0.294 193 V C -1.683 174.651 176.094 0.400 0.000 1.351 193 V CA -0.498 61.928 62.300 0.210 0.000 0.999 193 V CB 1.875 33.816 31.823 0.195 0.000 1.104 193 V HN 1.002 nan 8.190 nan 0.000 0.438 194 A N 3.592 126.590 122.820 0.296 0.000 2.702 194 A HA 0.730 5.050 4.320 -0.001 0.000 0.305 194 A C 0.115 177.660 177.584 -0.064 0.000 1.213 194 A CA 0.076 52.151 52.037 0.063 0.000 0.745 194 A CB 0.952 20.035 19.000 0.138 0.000 1.161 194 A HN 1.560 nan 8.150 nan 0.000 0.445 195 Q N 1.235 120.884 119.800 -0.251 0.000 2.422 195 Q HA -0.226 4.113 4.340 -0.001 0.000 0.245 195 Q C 0.184 176.191 176.000 0.012 0.000 0.922 195 Q CA 1.764 57.497 55.803 -0.116 0.000 1.192 195 Q CB -1.640 27.035 28.738 -0.106 0.000 1.641 195 Q HN 0.950 nan 8.270 nan 0.000 0.552 196 D N -4.383 116.065 120.400 0.079 0.000 3.103 196 D HA -0.224 4.416 4.640 -0.001 0.000 0.211 196 D C 0.324 176.673 176.300 0.081 0.000 1.100 196 D CA 0.939 55.009 54.000 0.116 0.000 0.961 196 D CB -1.483 39.387 40.800 0.115 0.000 1.093 196 D HN 0.531 nan 8.370 nan 0.000 0.427 197 C N 0.268 119.601 119.300 0.056 0.000 2.518 197 C HA 0.108 4.568 4.460 -0.001 0.000 0.283 197 C C 1.061 176.072 174.990 0.035 0.000 1.351 197 C CA 0.798 59.839 59.018 0.038 0.000 1.745 197 C CB -0.504 27.245 27.740 0.016 0.000 2.107 197 C HN 0.566 nan 8.230 nan 0.000 0.502 198 N N -0.513 118.208 118.700 0.035 0.000 2.521 198 N HA 0.383 5.123 4.740 -0.001 0.000 0.269 198 N C -1.106 174.434 175.510 0.051 0.000 1.079 198 N CA -0.216 52.845 53.050 0.019 0.000 0.980 198 N CB 0.759 39.223 38.487 -0.038 0.000 1.667 198 N HN 0.252 nan 8.380 nan 0.000 0.498 199 H N 1.042 120.116 119.070 0.008 0.000 2.905 199 H HA 0.732 5.287 4.556 -0.000 0.000 0.280 199 H C -1.150 174.178 175.328 0.001 0.000 1.445 199 H CA 0.042 56.099 56.048 0.015 0.000 1.165 199 H CB 1.435 31.234 29.762 0.061 0.000 1.857 199 H HN 0.730 nan 8.280 nan 0.000 0.567 200 A N 0.301 123.608 122.820 0.812 0.000 2.257 200 A HA 0.599 4.918 4.320 -0.001 0.000 0.289 200 A C -0.620 177.074 177.584 0.184 0.000 1.095 200 A CA -0.122 52.136 52.037 0.369 0.000 0.836 200 A CB 0.389 19.636 19.000 0.411 0.000 1.111 200 A HN 0.497 nan 8.150 nan 0.000 0.497 201 S N 0.439 116.208 115.700 0.115 0.000 2.774 201 S HA 0.457 4.926 4.470 -0.001 0.000 0.297 201 S C -0.171 174.487 174.600 0.095 0.000 1.143 201 S CA -0.446 57.791 58.200 0.061 0.000 1.090 201 S CB 0.636 63.833 63.200 -0.005 0.000 1.019 201 S HN 1.525 nan 8.310 nan 0.000 0.482 202 V N 0.486 120.488 119.914 0.148 0.000 2.963 202 V HA 0.535 4.654 4.120 -0.001 0.000 0.306 202 V C -0.258 175.894 176.094 0.095 0.000 1.077 202 V CA -0.104 62.276 62.300 0.133 0.000 1.124 202 V CB 0.822 32.753 31.823 0.180 0.000 0.987 202 V HN 0.942 nan 8.190 nan 0.000 0.487 203 D N 3.391 123.857 120.400 0.111 0.000 2.857 203 D HA 0.337 4.977 4.640 -0.001 0.000 0.227 203 D C -1.524 174.897 176.300 0.201 0.000 1.192 203 D CA -0.414 53.666 54.000 0.133 0.000 0.857 203 D CB 2.012 42.863 40.800 0.084 0.000 1.645 203 D HN 0.938 nan 8.370 nan 0.000 0.482 204 W N 2.770 124.063 121.300 -0.011 0.000 2.839 204 W HA 0.424 5.084 4.660 -0.001 0.000 0.334 204 W C -1.896 174.610 176.519 -0.022 0.000 1.064 204 W CA -0.710 56.627 57.345 -0.015 0.000 1.236 204 W CB 1.928 31.379 29.460 -0.015 0.000 1.405 204 W HN 0.394 nan 8.180 nan 0.000 0.478 205 Q N 5.307 124.763 119.800 -0.573 0.000 2.263 205 Q HA 0.521 4.860 4.340 -0.001 0.000 0.266 205 Q C -2.386 173.145 176.000 -0.783 0.000 1.002 205 Q CA -0.630 54.830 55.803 -0.571 0.000 0.790 205 Q CB 1.858 30.449 28.738 -0.244 0.000 1.272 205 Q HN 0.398 nan 8.270 nan 0.000 0.435 206 V N 4.322 123.720 119.914 -0.859 0.000 2.427 206 V HA 0.714 4.834 4.120 -0.001 0.000 0.286 206 V C -0.604 175.233 176.094 -0.429 0.000 1.034 206 V CA -0.697 61.239 62.300 -0.607 0.000 0.893 206 V CB 1.732 33.273 31.823 -0.470 0.000 0.982 206 V HN 0.694 nan 8.190 nan 0.000 0.452 207 V N 4.671 124.350 119.914 -0.391 0.000 2.680 207 V HA 0.786 4.905 4.120 -0.001 0.000 0.309 207 V C 0.352 176.136 176.094 -0.517 0.000 1.052 207 V CA -0.592 61.466 62.300 -0.402 0.000 0.908 207 V CB 2.053 33.700 31.823 -0.293 0.000 1.001 207 V HN 1.025 nan 8.190 nan 0.000 0.431 208 A N 4.449 126.795 122.820 -0.791 0.000 2.475 208 A HA 0.333 4.653 4.320 -0.001 0.000 0.293 208 A C 0.744 178.038 177.584 -0.484 0.000 1.252 208 A CA 0.618 52.117 52.037 -0.897 0.000 0.920 208 A CB -1.360 16.549 19.000 -1.819 0.000 1.125 208 A HN 1.325 nan 8.150 nan 0.000 0.528 209 N N 0.350 118.871 118.700 -0.298 0.000 2.710 209 N HA -0.189 4.550 4.740 -0.001 0.000 0.249 209 N C 0.283 175.715 175.510 -0.131 0.000 1.059 209 N CA 1.345 54.292 53.050 -0.171 0.000 0.720 209 N CB -0.586 37.844 38.487 -0.094 0.000 0.983 209 N HN 1.083 nan 8.380 nan 0.000 0.544 210 G N -1.174 107.535 108.800 -0.150 0.000 2.690 210 G HA2 0.393 4.353 3.960 -0.001 0.000 0.291 210 G HA3 0.393 4.353 3.960 -0.001 0.000 0.291 210 G C -1.454 173.387 174.900 -0.099 0.000 1.403 210 G CA -0.709 44.328 45.100 -0.104 0.000 0.864 210 G HN 0.033 nan 8.290 nan 0.000 0.480 211 D N 0.249 120.607 120.400 -0.070 0.000 2.414 211 D HA 0.306 4.945 4.640 -0.001 0.000 0.242 211 D C 0.647 176.909 176.300 -0.063 0.000 1.129 211 D CA 0.523 54.486 54.000 -0.062 0.000 0.885 211 D CB 1.910 42.685 40.800 -0.042 0.000 1.198 211 D HN 0.398 nan 8.370 nan 0.000 0.437 212 V N -0.664 119.209 119.914 -0.068 0.000 2.628 212 V HA 0.750 4.870 4.120 -0.001 0.000 0.306 212 V C -0.090 175.980 176.094 -0.039 0.000 1.045 212 V CA -0.699 61.565 62.300 -0.060 0.000 0.905 212 V CB 1.840 33.609 31.823 -0.089 0.000 0.997 212 V HN 0.467 nan 8.190 nan 0.000 0.436 213 S N 2.507 118.193 115.700 -0.023 0.000 2.667 213 S HA 0.933 5.402 4.470 -0.001 0.000 0.292 213 S C -1.325 173.275 174.600 -0.000 0.000 1.126 213 S CA -0.499 57.695 58.200 -0.011 0.000 0.881 213 S CB 2.135 65.332 63.200 -0.005 0.000 1.132 213 S HN 1.351 nan 8.310 nan 0.000 0.492 214 V N 2.200 122.118 119.914 0.007 0.000 2.852 214 V HA 0.492 4.612 4.120 -0.001 0.000 0.300 214 V C -1.728 174.379 176.094 0.021 0.000 1.205 214 V CA -0.556 61.754 62.300 0.017 0.000 0.940 214 V CB 1.961 33.793 31.823 0.014 0.000 1.047 214 V HN 1.008 nan 8.190 nan 0.000 0.429 215 E N 5.231 125.448 120.200 0.029 0.000 2.314 215 E HA 0.604 4.953 4.350 -0.001 0.000 0.272 215 E C -1.594 175.032 176.600 0.043 0.000 0.884 215 E CA -1.097 55.322 56.400 0.031 0.000 0.753 215 E CB 3.007 32.725 29.700 0.029 0.000 1.213 215 E HN 0.342 nan 8.360 nan 0.000 0.432 216 L N 2.543 123.794 121.223 0.045 0.000 2.270 216 L HA 0.349 4.689 4.340 -0.001 0.000 0.286 216 L C -0.418 176.521 176.870 0.116 0.000 1.059 216 L CA -0.196 54.685 54.840 0.069 0.000 0.839 216 L CB 0.191 42.263 42.059 0.021 0.000 1.221 216 L HN 0.512 nan 8.230 nan 0.000 0.431 217 R N 2.437 123.010 120.500 0.122 0.000 2.368 217 R HA 0.264 4.604 4.340 -0.001 0.000 0.302 217 R C -0.320 176.076 176.300 0.160 0.000 1.002 217 R CA -0.792 55.378 56.100 0.117 0.000 0.929 217 R CB 1.035 31.371 30.300 0.060 0.000 1.073 217 R HN 0.530 nan 8.270 nan 0.000 0.464 218 D N 1.056 121.541 120.400 0.141 0.000 2.352 218 D HA 0.023 4.663 4.640 -0.001 0.000 0.238 218 D C 1.070 177.335 176.300 -0.058 0.000 1.286 218 D CA 0.350 54.395 54.000 0.074 0.000 0.923 218 D CB 0.897 41.753 40.800 0.093 0.000 1.146 218 D HN 0.578 nan 8.370 nan 0.000 0.471 219 A N 1.184 123.912 122.820 -0.154 0.000 1.892 219 A HA -0.226 4.094 4.320 -0.001 0.000 0.218 219 A C 1.142 178.676 177.584 -0.083 0.000 1.188 219 A CA 2.238 54.149 52.037 -0.211 0.000 0.631 219 A CB -0.501 18.380 19.000 -0.199 0.000 0.822 219 A HN 0.658 nan 8.150 nan 0.000 0.447 220 D N -1.640 118.754 120.400 -0.011 0.000 2.336 220 D HA 0.227 4.866 4.640 -0.001 0.000 0.228 220 D C 0.343 176.646 176.300 0.005 0.000 1.120 220 D CA 0.205 54.204 54.000 -0.002 0.000 0.839 220 D CB 0.173 40.984 40.800 0.018 0.000 0.932 220 D HN 0.399 nan 8.370 nan 0.000 0.509 221 Q N -0.699 119.103 119.800 0.003 0.000 2.464 221 Q HA -0.179 4.161 4.340 -0.001 0.000 0.246 221 Q C -0.431 175.586 176.000 0.029 0.000 0.763 221 Q CA 0.592 56.401 55.803 0.009 0.000 1.233 221 Q CB -1.827 26.910 28.738 -0.002 0.000 1.361 221 Q HN 0.786 nan 8.270 nan 0.000 0.699 222 Q N -0.722 119.106 119.800 0.046 0.000 2.230 222 Q HA 0.533 4.873 4.340 -0.001 0.000 0.253 222 Q C 0.039 176.081 176.000 0.070 0.000 0.919 222 Q CA -0.563 55.271 55.803 0.052 0.000 0.908 222 Q CB 1.594 30.363 28.738 0.052 0.000 1.245 222 Q HN 0.011 nan 8.270 nan 0.000 0.437 223 V N 4.577 124.525 119.914 0.056 0.000 2.341 223 V HA -0.056 4.063 4.120 -0.001 0.000 0.248 223 V C 0.977 177.108 176.094 0.062 0.000 1.107 223 V CA 0.149 62.484 62.300 0.058 0.000 1.069 223 V CB 0.580 32.427 31.823 0.039 0.000 1.177 223 V HN 0.840 nan 8.190 nan 0.000 0.492 224 V N 5.023 124.991 119.914 0.089 0.000 3.041 224 V HA 0.386 4.506 4.120 -0.001 0.000 0.260 224 V C 0.863 176.978 176.094 0.034 0.000 1.105 224 V CA 1.536 63.884 62.300 0.080 0.000 1.125 224 V CB 0.109 32.022 31.823 0.149 0.000 0.730 224 V HN 0.936 nan 8.190 nan 0.000 0.479 225 A N -1.589 121.247 122.820 0.027 0.000 2.544 225 A HA 0.696 5.015 4.320 -0.001 0.000 0.291 225 A C -0.484 177.108 177.584 0.013 0.000 1.055 225 A CA 0.002 52.044 52.037 0.009 0.000 0.651 225 A CB 1.190 20.183 19.000 -0.011 0.000 1.296 225 A HN 0.205 nan 8.150 nan 0.000 0.431 226 T N -0.433 114.126 114.554 0.008 0.000 2.896 226 T HA 0.859 5.209 4.350 -0.001 0.000 0.297 226 T C -0.132 174.572 174.700 0.007 0.000 1.108 226 T CA -0.195 61.911 62.100 0.010 0.000 1.004 226 T CB 2.111 70.984 68.868 0.009 0.000 1.159 226 T HN 2.014 nan 8.240 nan 0.000 0.499 227 G N 0.647 109.451 108.800 0.007 0.000 2.742 227 G HA2 0.613 4.572 3.960 -0.001 0.000 0.296 227 G HA3 0.613 4.572 3.960 -0.001 0.000 0.296 227 G C -2.013 172.887 174.900 0.000 0.000 1.436 227 G CA -0.567 44.535 45.100 0.005 0.000 0.928 227 G HN 0.490 nan 8.290 nan 0.000 0.520 228 Q N -0.598 119.200 119.800 -0.003 0.000 2.451 228 Q HA 0.781 5.120 4.340 -0.001 0.000 0.281 228 Q C -0.009 175.983 176.000 -0.015 0.000 1.099 228 Q CA 0.049 55.846 55.803 -0.010 0.000 0.806 228 Q CB 2.617 31.349 28.738 -0.009 0.000 1.419 228 Q HN 1.973 nan 8.270 nan 0.000 0.427 229 G N -0.061 108.724 108.800 -0.025 0.000 2.484 229 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.685 229 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.685 229 G C 0.062 174.931 174.900 -0.052 0.000 1.294 229 G CA -0.117 44.964 45.100 -0.032 0.000 0.879 229 G HN 0.448 nan 8.290 nan 0.000 0.646 230 T N 0.206 114.717 114.554 -0.070 0.000 2.866 230 T HA 0.189 4.538 4.350 -0.001 0.000 0.250 230 T C 2.202 176.801 174.700 -0.168 0.000 1.033 230 T CA 1.999 64.030 62.100 -0.115 0.000 1.145 230 T CB -0.097 68.695 68.868 -0.125 0.000 0.866 230 T HN 0.805 nan 8.240 nan 0.000 0.434 231 S N -0.106 115.506 115.700 -0.147 0.000 2.666 231 S HA 0.467 4.937 4.470 -0.001 0.000 0.239 231 S C 0.480 175.053 174.600 -0.045 0.000 1.031 231 S CA -0.508 57.556 58.200 -0.227 0.000 1.015 231 S CB 1.427 64.490 63.200 -0.229 0.000 0.981 231 S HN 0.510 nan 8.310 nan 0.000 0.547 232 G N 1.447 110.241 108.800 -0.009 0.000 2.740 232 G HA2 0.608 4.568 3.960 -0.001 0.000 0.296 232 G HA3 0.608 4.568 3.960 -0.001 0.000 0.296 232 G C -0.874 174.044 174.900 0.030 0.000 1.439 232 G CA -0.523 44.606 45.100 0.048 0.000 1.066 232 G HN 0.184 nan 8.290 nan 0.000 0.527 233 T N -1.335 113.249 114.554 0.051 0.000 2.686 233 T HA 0.727 5.077 4.350 -0.001 0.000 0.308 233 T C -1.300 173.433 174.700 0.055 0.000 1.667 233 T CA -0.820 61.303 62.100 0.039 0.000 0.987 233 T CB 1.627 70.510 68.868 0.024 0.000 1.652 233 T HN 0.980 nan 8.240 nan 0.000 0.496 234 L N 0.029 121.279 121.223 0.046 0.000 2.591 234 L HA 0.696 5.036 4.340 -0.001 0.000 0.257 234 L C -1.994 174.901 176.870 0.041 0.000 0.935 234 L CA -0.479 54.396 54.840 0.058 0.000 0.873 234 L CB 2.475 44.568 42.059 0.056 0.000 1.397 234 L HN 0.850 nan 8.230 nan 0.000 0.414 235 Q N 1.600 121.426 119.800 0.044 0.000 2.347 235 Q HA 0.728 5.067 4.340 -0.001 0.000 0.271 235 Q C -1.542 174.473 176.000 0.026 0.000 1.064 235 Q CA -0.407 55.408 55.803 0.020 0.000 0.800 235 Q CB 2.848 31.587 28.738 0.002 0.000 1.304 235 Q HN 0.392 nan 8.270 nan 0.000 0.438 236 V N 2.069 121.987 119.914 0.006 0.000 2.850 236 V HA 0.861 4.980 4.120 -0.001 0.000 0.315 236 V C -0.651 175.421 176.094 -0.036 0.000 1.064 236 V CA -0.748 61.550 62.300 -0.002 0.000 0.979 236 V CB 1.988 33.794 31.823 -0.029 0.000 1.039 236 V HN 0.571 nan 8.190 nan 0.000 0.452 237 V N 1.724 121.609 119.914 -0.047 0.000 2.924 237 V HA 0.330 4.450 4.120 -0.001 0.000 0.300 237 V C -0.628 175.432 176.094 -0.056 0.000 1.227 237 V CA -0.799 61.455 62.300 -0.077 0.000 0.954 237 V CB 2.007 33.730 31.823 -0.166 0.000 1.055 237 V HN 0.961 nan 8.190 nan 0.000 0.429 238 N N 4.819 123.491 118.700 -0.047 0.000 2.437 238 N HA 0.624 5.364 4.740 -0.001 0.000 0.243 238 N C -2.711 172.764 175.510 -0.057 0.000 1.041 238 N CA -1.029 52.001 53.050 -0.033 0.000 0.940 238 N CB 1.536 40.012 38.487 -0.019 0.000 1.133 238 N HN 0.494 nan 8.380 nan 0.000 0.506 239 P HA 0.305 nan 4.420 nan 0.000 0.307 239 P C -1.690 175.619 177.300 0.015 0.000 1.385 239 P CA -0.648 62.446 63.100 -0.010 0.000 1.108 239 P CB 1.385 33.107 31.700 0.037 0.000 1.505 240 H N 1.163 120.284 119.070 0.084 0.000 2.846 240 H HA 0.324 4.880 4.556 -0.001 0.000 0.278 240 H C 0.311 175.686 175.328 0.079 0.000 1.117 240 H CA -0.784 55.137 56.048 -0.212 0.000 1.406 240 H CB -0.054 29.096 29.762 -1.021 0.000 1.445 240 H HN 0.135 nan 8.280 nan 0.000 0.469 241 L N 2.003 123.354 121.223 0.213 0.000 2.473 241 L HA -0.025 4.314 4.340 -0.001 0.000 0.268 241 L C 0.321 177.391 176.870 0.335 0.000 1.215 241 L CA -0.098 54.907 54.840 0.274 0.000 0.823 241 L CB 0.597 42.769 42.059 0.188 0.000 1.099 241 L HN 0.637 nan 8.230 nan 0.000 0.483 242 W N 2.824 124.226 121.300 0.169 0.000 2.311 242 W HA 0.253 4.912 4.660 -0.001 0.000 0.310 242 W C -0.519 176.027 176.519 0.046 0.000 1.274 242 W CA -0.211 57.209 57.345 0.125 0.000 1.215 242 W CB 0.587 30.104 29.460 0.095 0.000 1.227 242 W HN 0.352 nan 8.180 nan 0.000 0.523 243 Q N 6.626 126.244 119.800 -0.304 0.000 2.331 243 Q HA 0.146 4.486 4.340 -0.001 0.000 0.272 243 Q C -1.847 173.831 176.000 -0.536 0.000 1.062 243 Q CA -1.739 53.924 55.803 -0.233 0.000 0.806 243 Q CB 2.337 30.999 28.738 -0.126 0.000 1.312 243 Q HN 0.266 nan 8.270 nan 0.000 0.431 244 P HA -0.273 nan 4.420 nan 0.000 0.219 244 P C 1.153 178.369 177.300 -0.140 0.000 1.158 244 P CA 2.326 65.326 63.100 -0.167 0.000 0.895 244 P CB 0.187 31.950 31.700 0.105 0.000 0.792 245 G N -0.673 107.952 108.800 -0.293 0.000 2.514 245 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.217 245 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.217 245 G C 1.395 176.066 174.900 -0.382 0.000 1.198 245 G CA 1.035 45.770 45.100 -0.609 0.000 0.780 245 G HN 0.260 nan 8.290 nan 0.000 0.565 246 E N -0.603 119.351 120.200 -0.409 0.000 2.508 246 E HA 0.167 4.517 4.350 -0.001 0.000 0.217 246 E C 1.468 177.784 176.600 -0.472 0.000 0.896 246 E CA 0.494 56.680 56.400 -0.357 0.000 1.118 246 E CB 0.459 30.000 29.700 -0.265 0.000 1.133 246 E HN 0.417 nan 8.360 nan 0.000 0.526 247 G N 2.948 111.249 108.800 -0.832 0.000 2.393 247 G HA2 -0.344 3.616 3.960 -0.001 0.000 0.299 247 G HA3 -0.344 3.616 3.960 -0.001 0.000 0.299 247 G C -0.064 174.544 174.900 -0.486 0.000 0.990 247 G CA 0.712 44.980 45.100 -1.386 0.000 1.118 247 G HN 0.342 nan 8.290 nan 0.000 0.513 248 Y N -0.793 119.333 120.300 -0.290 0.000 2.895 248 Y HA 0.268 4.818 4.550 -0.001 0.000 0.334 248 Y C 0.360 176.329 175.900 0.115 0.000 1.261 248 Y CA 0.234 58.288 58.100 -0.078 0.000 1.560 248 Y CB 0.301 38.738 38.460 -0.039 0.000 1.253 248 Y HN 0.291 nan 8.280 nan 0.000 0.582 249 L N 7.724 128.628 121.223 -0.532 0.000 2.376 249 L HA 0.360 4.700 4.340 -0.001 0.000 0.275 249 L C -0.915 175.703 176.870 -0.419 0.000 0.987 249 L CA -0.630 54.080 54.840 -0.217 0.000 0.828 249 L CB 1.007 43.033 42.059 -0.056 0.000 1.249 249 L HN 0.553 nan 8.230 nan 0.000 0.409 250 Y N 0.560 120.813 120.300 -0.079 0.000 2.240 250 Y HA 0.444 4.993 4.550 -0.001 0.000 0.341 250 Y C 0.671 176.554 175.900 -0.028 0.000 1.326 250 Y CA -0.193 57.893 58.100 -0.023 0.000 1.569 250 Y CB 0.706 39.208 38.460 0.071 0.000 1.426 250 Y HN 0.506 nan 8.280 nan 0.000 0.587 251 E N 1.394 121.693 120.200 0.165 0.000 2.260 251 E HA 0.320 4.670 4.350 -0.001 0.000 0.266 251 E C -2.129 174.525 176.600 0.090 0.000 0.887 251 E CA -0.879 55.572 56.400 0.085 0.000 0.777 251 E CB 1.675 31.390 29.700 0.024 0.000 1.205 251 E HN 0.559 nan 8.360 nan 0.000 0.414 252 L N 4.722 125.994 121.223 0.081 0.000 2.289 252 L HA 0.425 4.765 4.340 -0.001 0.000 0.285 252 L C -1.185 175.732 176.870 0.079 0.000 1.049 252 L CA -0.273 54.612 54.840 0.075 0.000 0.804 252 L CB 1.303 43.406 42.059 0.073 0.000 1.195 252 L HN 0.672 nan 8.230 nan 0.000 0.428 253 C N 5.788 125.129 119.300 0.067 0.000 2.293 253 C HA 0.697 5.156 4.460 -0.001 0.000 0.323 253 C C -0.463 174.570 174.990 0.072 0.000 1.240 253 C CA -0.594 58.462 59.018 0.063 0.000 1.497 253 C CB 0.273 28.037 27.740 0.040 0.000 2.171 253 C HN 0.620 nan 8.230 nan 0.000 0.465 254 V N 6.468 126.448 119.914 0.109 0.000 2.398 254 V HA 0.524 4.644 4.120 -0.001 0.000 0.286 254 V C 0.268 176.407 176.094 0.074 0.000 1.026 254 V CA -0.048 62.304 62.300 0.087 0.000 0.868 254 V CB 1.914 33.797 31.823 0.101 0.000 0.982 254 V HN 0.930 nan 8.190 nan 0.000 0.443 255 T N 3.884 118.458 114.554 0.034 0.000 2.809 255 T HA 0.691 5.041 4.350 -0.001 0.000 0.284 255 T C -0.063 174.636 174.700 -0.001 0.000 0.992 255 T CA -0.378 61.737 62.100 0.026 0.000 0.957 255 T CB 1.626 70.506 68.868 0.020 0.000 0.942 255 T HN 0.839 nan 8.240 nan 0.000 0.439 256 A N 3.665 126.485 122.820 -0.001 0.000 2.249 256 A HA 0.633 4.953 4.320 -0.001 0.000 0.314 256 A C -0.066 177.510 177.584 -0.014 0.000 1.290 256 A CA -0.753 51.265 52.037 -0.031 0.000 0.893 256 A CB 0.352 19.320 19.000 -0.053 0.000 1.165 256 A HN 0.754 nan 8.150 nan 0.000 0.530 257 K N 2.103 122.489 120.400 -0.024 0.000 2.307 257 K HA 0.496 4.815 4.320 -0.001 0.000 0.263 257 K C 0.044 176.632 176.600 -0.021 0.000 0.973 257 K CA -0.212 56.067 56.287 -0.014 0.000 0.846 257 K CB 1.768 34.261 32.500 -0.012 0.000 1.100 257 K HN 0.652 nan 8.250 nan 0.000 0.438 258 S N 1.273 116.966 115.700 -0.011 0.000 2.646 258 S HA 0.084 4.554 4.470 -0.001 0.000 0.273 258 S C 1.139 175.734 174.600 -0.008 0.000 1.168 258 S CA -0.427 57.766 58.200 -0.012 0.000 1.013 258 S CB 0.937 64.136 63.200 -0.002 0.000 1.098 258 S HN 0.622 nan 8.310 nan 0.000 0.544 259 Q N -0.417 119.378 119.800 -0.007 0.000 2.123 259 Q HA -0.035 4.305 4.340 -0.001 0.000 0.199 259 Q C 1.634 177.633 176.000 -0.000 0.000 0.966 259 Q CA 1.411 57.211 55.803 -0.004 0.000 0.845 259 Q CB -0.041 28.694 28.738 -0.005 0.000 0.907 259 Q HN 0.629 nan 8.270 nan 0.000 0.439 260 T N -0.474 114.081 114.554 0.003 0.000 3.045 260 T HA 0.075 4.424 4.350 -0.001 0.000 0.239 260 T C 0.243 174.948 174.700 0.009 0.000 1.008 260 T CA 0.203 62.306 62.100 0.006 0.000 1.143 260 T CB 0.287 69.159 68.868 0.007 0.000 0.894 260 T HN 0.091 nan 8.240 nan 0.000 0.451 261 E N -0.350 119.858 120.200 0.013 0.000 2.222 261 E HA 0.528 4.877 4.350 -0.001 0.000 0.267 261 E C -1.504 175.109 176.600 0.022 0.000 0.963 261 E CA -0.618 55.794 56.400 0.020 0.000 0.837 261 E CB 1.778 31.495 29.700 0.030 0.000 1.183 261 E HN 0.220 nan 8.360 nan 0.000 0.403 262 C N 2.390 121.706 119.300 0.027 0.000 2.547 262 C HA 0.551 5.011 4.460 -0.001 0.000 0.313 262 C C -1.498 173.518 174.990 0.043 0.000 1.191 262 C CA -0.401 58.633 59.018 0.028 0.000 1.474 262 C CB 1.043 28.795 27.740 0.019 0.000 2.081 262 C HN 0.825 nan 8.230 nan 0.000 0.476 263 D N 3.575 124.007 120.400 0.053 0.000 2.738 263 D HA 0.641 5.281 4.640 -0.001 0.000 0.237 263 D C -1.254 175.094 176.300 0.079 0.000 1.123 263 D CA -0.310 53.738 54.000 0.079 0.000 0.856 263 D CB 1.382 42.261 40.800 0.131 0.000 1.552 263 D HN 0.393 nan 8.370 nan 0.000 0.480 264 I N 3.735 124.360 120.570 0.092 0.000 2.447 264 I HA 0.303 4.473 4.170 -0.001 0.000 0.287 264 I C -1.511 174.689 176.117 0.138 0.000 1.023 264 I CA -0.660 60.694 61.300 0.089 0.000 1.083 264 I CB 1.334 39.360 38.000 0.043 0.000 1.245 264 I HN 0.484 nan 8.210 nan 0.000 0.434 265 Y N 9.209 129.520 120.300 0.018 0.000 2.329 265 Y HA 0.529 5.079 4.550 -0.001 0.000 0.328 265 Y C -2.490 173.418 175.900 0.012 0.000 0.992 265 Y CA -1.996 56.115 58.100 0.018 0.000 1.151 265 Y CB 2.272 40.749 38.460 0.027 0.000 1.150 265 Y HN 0.338 nan 8.280 nan 0.000 0.450 266 P HA 0.220 nan 4.420 nan 0.000 0.287 266 P C -1.337 175.839 177.300 -0.207 0.000 1.294 266 P CA -0.266 62.720 63.100 -0.190 0.000 0.776 266 P CB 1.677 33.251 31.700 -0.210 0.000 0.889 267 L N 4.511 125.779 121.223 0.076 0.000 2.325 267 L HA 0.460 4.800 4.340 -0.001 0.000 0.281 267 L C 0.042 176.955 176.870 0.071 0.000 1.004 267 L CA -0.686 54.246 54.840 0.153 0.000 0.823 267 L CB 1.272 43.481 42.059 0.250 0.000 1.236 267 L HN 0.202 nan 8.230 nan 0.000 0.415 268 R N 3.923 124.451 120.500 0.046 0.000 2.491 268 R HA 0.471 4.810 4.340 -0.001 0.000 0.283 268 R C -1.093 175.237 176.300 0.050 0.000 1.072 268 R CA -0.450 55.675 56.100 0.042 0.000 1.048 268 R CB 1.139 31.463 30.300 0.041 0.000 0.983 268 R HN 0.497 nan 8.270 nan 0.000 0.450 269 V N 1.607 121.566 119.914 0.075 0.000 2.540 269 V HA 0.454 4.574 4.120 -0.001 0.000 0.302 269 V C 0.292 176.461 176.094 0.126 0.000 1.035 269 V CA -0.772 61.570 62.300 0.070 0.000 0.873 269 V CB 2.123 33.996 31.823 0.083 0.000 0.992 269 V HN 0.944 nan 8.190 nan 0.000 0.428 270 G N 4.654 113.467 108.800 0.023 0.000 2.422 270 G HA2 0.638 4.598 3.960 -0.001 0.000 0.317 270 G HA3 0.638 4.598 3.960 -0.001 0.000 0.317 270 G C -0.568 174.380 174.900 0.080 0.000 1.210 270 G CA -0.538 44.618 45.100 0.093 0.000 0.930 270 G HN 0.657 nan 8.290 nan 0.000 0.468 271 I N 2.865 123.595 120.570 0.266 0.000 2.329 271 I HA 0.326 4.495 4.170 -0.001 0.000 0.295 271 I C 0.255 176.462 176.117 0.151 0.000 1.109 271 I CA -0.299 61.092 61.300 0.152 0.000 1.297 271 I CB 0.221 38.316 38.000 0.158 0.000 1.433 271 I HN 0.632 nan 8.210 nan 0.000 0.509 272 R N 3.827 124.341 120.500 0.023 0.000 2.634 272 R HA 0.519 4.859 4.340 -0.001 0.000 0.263 272 R C -1.211 175.023 176.300 -0.109 0.000 1.060 272 R CA -0.850 55.256 56.100 0.011 0.000 0.898 272 R CB 0.908 31.275 30.300 0.110 0.000 1.253 272 R HN 0.405 nan 8.270 nan 0.000 0.461 273 S N 0.709 116.322 115.700 -0.145 0.000 2.537 273 S HA 0.820 5.289 4.470 -0.001 0.000 0.301 273 S C -0.711 173.746 174.600 -0.237 0.000 1.092 273 S CA -0.756 57.308 58.200 -0.226 0.000 1.048 273 S CB 1.972 64.984 63.200 -0.313 0.000 1.053 273 S HN 0.504 nan 8.310 nan 0.000 0.501 274 V N 1.598 121.370 119.914 -0.236 0.000 2.569 274 V HA 0.867 4.986 4.120 -0.001 0.000 0.301 274 V C -0.265 175.636 176.094 -0.322 0.000 1.044 274 V CA 0.116 62.263 62.300 -0.255 0.000 0.874 274 V CB 1.227 32.950 31.823 -0.167 0.000 1.002 274 V HN 1.420 nan 8.190 nan 0.000 0.424 275 A N 4.470 127.015 122.820 -0.458 0.000 2.604 275 A HA 0.813 5.132 4.320 -0.001 0.000 0.295 275 A C -1.385 175.888 177.584 -0.518 0.000 1.067 275 A CA -0.510 51.288 52.037 -0.399 0.000 0.683 275 A CB 1.864 20.737 19.000 -0.212 0.000 1.281 275 A HN 0.597 nan 8.150 nan 0.000 0.407 276 V N 2.115 121.809 119.914 -0.368 0.000 2.498 276 V HA 0.387 4.507 4.120 -0.001 0.000 0.279 276 V C 0.357 176.392 176.094 -0.099 0.000 1.048 276 V CA -0.049 62.119 62.300 -0.221 0.000 0.967 276 V CB 1.340 33.109 31.823 -0.090 0.000 0.988 276 V HN 0.724 nan 8.190 nan 0.000 0.473 277 K N 3.893 124.265 120.400 -0.046 0.000 2.575 277 K HA 0.520 4.839 4.320 -0.001 0.000 0.236 277 K C 0.664 177.279 176.600 0.024 0.000 0.976 277 K CA 0.516 56.800 56.287 -0.005 0.000 0.985 277 K CB 0.959 33.463 32.500 0.008 0.000 1.198 277 K HN 0.958 nan 8.250 nan 0.000 0.464 278 G N 3.315 112.132 108.800 0.029 0.000 2.574 278 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.301 278 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.301 278 G C 0.422 175.366 174.900 0.074 0.000 1.166 278 G CA 0.250 45.379 45.100 0.049 0.000 0.971 278 G HN 0.681 nan 8.290 nan 0.000 0.542 279 E N 1.528 121.778 120.200 0.084 0.000 2.444 279 E HA 0.189 4.538 4.350 -0.001 0.000 0.191 279 E C 0.736 177.403 176.600 0.113 0.000 1.041 279 E CA 0.049 56.508 56.400 0.099 0.000 0.883 279 E CB 0.212 29.972 29.700 0.100 0.000 1.024 279 E HN 0.516 nan 8.360 nan 0.000 0.470 280 Q N -0.048 119.820 119.800 0.114 0.000 2.348 280 Q HA 0.411 4.751 4.340 -0.001 0.000 0.271 280 Q C -1.174 174.940 176.000 0.189 0.000 1.067 280 Q CA -0.730 55.163 55.803 0.150 0.000 0.839 280 Q CB 2.091 30.895 28.738 0.111 0.000 1.354 280 Q HN 0.045 nan 8.270 nan 0.000 0.447 281 F N 2.212 122.233 119.950 0.117 0.000 2.427 281 F HA 0.428 4.955 4.527 0.001 0.000 0.348 281 F C -1.377 174.494 175.800 0.118 0.000 1.125 281 F CA -0.695 57.387 58.000 0.136 0.000 0.989 281 F CB 0.667 39.817 39.000 0.251 0.000 1.165 281 F HN 0.313 nan 8.300 nan 0.000 0.442 282 L N 7.484 128.609 121.223 -0.163 0.000 2.282 282 L HA 0.527 4.867 4.340 -0.001 0.000 0.288 282 L C -0.554 176.248 176.870 -0.115 0.000 1.033 282 L CA -0.638 54.169 54.840 -0.054 0.000 0.807 282 L CB 1.478 43.490 42.059 -0.078 0.000 1.209 282 L HN 0.498 nan 8.230 nan 0.000 0.423 283 I N 2.873 123.443 120.570 0.000 0.000 2.406 283 I HA 0.236 4.405 4.170 -0.001 0.000 0.290 283 I C 0.072 176.152 176.117 -0.061 0.000 0.999 283 I CA -0.696 60.564 61.300 -0.066 0.000 1.124 283 I CB 1.561 39.494 38.000 -0.112 0.000 1.289 283 I HN 0.709 nan 8.210 nan 0.000 0.441 284 N N 6.126 124.743 118.700 -0.138 0.000 2.708 284 N HA -0.240 4.499 4.740 -0.001 0.000 0.251 284 N C -0.001 175.491 175.510 -0.029 0.000 1.017 284 N CA 0.499 53.476 53.050 -0.122 0.000 0.742 284 N CB -0.868 37.642 38.487 0.039 0.000 0.943 284 N HN 0.768 nan 8.380 nan 0.000 0.539 285 H N -3.732 115.350 119.070 0.021 0.000 3.237 285 H HA -0.147 4.408 4.556 -0.000 0.000 0.231 285 H C 0.168 175.520 175.328 0.041 0.000 1.148 285 H CA 1.340 57.401 56.048 0.022 0.000 1.155 285 H CB -1.081 28.696 29.762 0.026 0.000 1.210 285 H HN 0.523 nan 8.280 nan 0.000 0.317 286 K N 1.315 121.788 120.400 0.123 0.000 2.270 286 K HA 0.352 4.672 4.320 -0.001 0.000 0.255 286 K C -2.738 173.953 176.600 0.152 0.000 0.936 286 K CA -1.884 54.482 56.287 0.132 0.000 0.809 286 K CB 2.060 34.643 32.500 0.137 0.000 1.131 286 K HN -0.198 nan 8.250 nan 0.000 0.427 287 P HA 0.024 nan 4.420 nan 0.000 0.267 287 P C -1.098 176.343 177.300 0.235 0.000 1.205 287 P CA 0.031 63.238 63.100 0.179 0.000 0.765 287 P CB 0.192 31.967 31.700 0.125 0.000 0.828 288 F N 4.212 124.212 119.950 0.084 0.000 2.507 288 F HA 0.571 5.098 4.527 -0.001 0.000 0.327 288 F C -1.183 174.607 175.800 -0.016 0.000 1.068 288 F CA -1.154 56.829 58.000 -0.027 0.000 0.965 288 F CB 1.330 40.253 39.000 -0.129 0.000 1.192 288 F HN 0.222 nan 8.300 nan 0.000 0.476 289 Y N 5.183 124.791 120.300 -1.152 0.000 2.326 289 Y HA 0.476 5.025 4.550 -0.001 0.000 0.329 289 Y C -1.422 173.785 175.900 -1.155 0.000 0.973 289 Y CA -1.103 56.515 58.100 -0.802 0.000 1.162 289 Y CB 0.720 38.879 38.460 -0.502 0.000 1.147 289 Y HN 0.464 nan 8.280 nan 0.000 0.456 290 F N 3.945 123.251 119.950 -1.075 0.000 2.484 290 F HA 0.328 4.854 4.527 -0.001 0.000 0.360 290 F C 0.875 176.173 175.800 -0.836 0.000 1.101 290 F CA 0.226 57.759 58.000 -0.778 0.000 1.251 290 F CB 0.935 39.602 39.000 -0.555 0.000 1.132 290 F HN 0.473 nan 8.300 nan 0.000 0.570 291 T N 0.175 114.379 114.554 -0.584 0.000 2.916 291 T HA 0.918 5.268 4.350 -0.001 0.000 0.292 291 T C -0.121 174.042 174.700 -0.894 0.000 1.055 291 T CA -0.243 61.315 62.100 -0.902 0.000 1.009 291 T CB 1.864 69.795 68.868 -1.562 0.000 1.118 291 T HN 1.212 nan 8.240 nan 0.000 0.497 292 G N 0.653 108.760 108.800 -1.154 0.000 2.280 292 G HA2 0.292 4.251 3.960 -0.001 0.000 0.277 292 G HA3 0.292 4.251 3.960 -0.001 0.000 0.277 292 G C -1.785 172.844 174.900 -0.453 0.000 1.288 292 G CA -0.889 43.681 45.100 -0.883 0.000 1.075 292 G HN 0.766 nan 8.290 nan 0.000 0.480 293 F N 0.755 120.789 119.950 0.140 0.000 2.556 293 F HA 0.710 5.237 4.527 0.001 0.000 0.327 293 F C 1.059 176.951 175.800 0.153 0.000 1.059 293 F CA 0.008 58.123 58.000 0.191 0.000 0.953 293 F CB 2.033 41.150 39.000 0.195 0.000 1.227 293 F HN 0.785 nan 8.300 nan 0.000 0.478 294 G N 1.273 110.315 108.800 0.402 0.000 2.372 294 G HA2 0.630 4.590 3.960 -0.001 0.000 0.283 294 G HA3 0.630 4.590 3.960 -0.001 0.000 0.283 294 G C -0.569 174.320 174.900 -0.017 0.000 1.177 294 G CA -0.583 44.686 45.100 0.281 0.000 0.842 294 G HN 0.557 nan 8.290 nan 0.000 0.503 295 R N 0.310 120.748 120.500 -0.102 0.000 2.939 295 R HA 0.567 4.907 4.340 -0.001 0.000 0.254 295 R C -0.931 175.158 176.300 -0.351 0.000 1.123 295 R CA -0.995 54.976 56.100 -0.215 0.000 1.020 295 R CB 1.777 31.989 30.300 -0.147 0.000 1.206 295 R HN 0.523 nan 8.270 nan 0.000 0.491 296 H N 0.451 119.360 119.070 -0.269 0.000 2.855 296 H HA 0.271 4.826 4.556 -0.001 0.000 0.363 296 H C -0.908 174.233 175.328 -0.313 0.000 1.185 296 H CA -0.704 55.163 56.048 -0.302 0.000 1.174 296 H CB 2.100 31.584 29.762 -0.462 0.000 1.857 296 H HN 0.451 nan 8.280 nan 0.000 0.565 297 E N 1.813 121.990 120.200 -0.038 0.000 2.014 297 E HA 0.201 4.551 4.350 -0.001 0.000 0.275 297 E C -0.838 175.684 176.600 -0.130 0.000 0.997 297 E CA -0.243 56.037 56.400 -0.199 0.000 0.804 297 E CB 0.885 30.432 29.700 -0.254 0.000 1.090 297 E HN 0.382 nan 8.360 nan 0.000 0.401 298 D N 2.364 122.684 120.400 -0.132 0.000 2.745 298 D HA 0.494 5.134 4.640 -0.001 0.000 0.221 298 D C -1.872 174.366 176.300 -0.103 0.000 1.237 298 D CA -0.367 53.580 54.000 -0.088 0.000 0.781 298 D CB 1.737 42.578 40.800 0.069 0.000 1.575 298 D HN 0.438 nan 8.370 nan 0.000 0.482 299 A N 2.436 125.174 122.820 -0.137 0.000 2.567 299 A HA 0.430 4.750 4.320 -0.001 0.000 0.291 299 A C -1.356 176.144 177.584 -0.140 0.000 1.048 299 A CA -0.783 51.177 52.037 -0.129 0.000 0.661 299 A CB 1.070 19.967 19.000 -0.171 0.000 1.288 299 A HN 0.447 nan 8.150 nan 0.000 0.424 300 D N 0.893 121.227 120.400 -0.110 0.000 2.472 300 D HA 0.379 5.018 4.640 -0.001 0.000 0.237 300 D C 1.437 177.656 176.300 -0.136 0.000 1.141 300 D CA 1.251 55.190 54.000 -0.101 0.000 0.875 300 D CB 0.582 41.333 40.800 -0.083 0.000 1.192 300 D HN 0.789 nan 8.370 nan 0.000 0.450 301 L N 0.531 121.677 121.223 -0.128 0.000 3.153 301 L HA -0.418 3.921 4.340 -0.001 0.000 0.369 301 L C 1.992 178.742 176.870 -0.199 0.000 3.110 301 L CA 2.043 56.798 54.840 -0.143 0.000 2.423 301 L CB -1.316 40.669 42.059 -0.124 0.000 2.474 301 L HN 0.517 nan 8.230 nan 0.000 0.797 302 R N 2.206 122.574 120.500 -0.221 0.000 2.323 302 R HA 0.301 4.641 4.340 -0.001 0.000 0.198 302 R C 1.356 177.431 176.300 -0.374 0.000 0.988 302 R CA 0.889 56.842 56.100 -0.246 0.000 1.041 302 R CB -0.028 30.146 30.300 -0.210 0.000 0.926 302 R HN 0.645 nan 8.270 nan 0.000 0.476 303 G N 2.455 110.912 108.800 -0.572 0.000 2.596 303 G HA2 -0.415 3.545 3.960 -0.001 0.000 0.304 303 G HA3 -0.415 3.545 3.960 -0.001 0.000 0.304 303 G C 0.257 174.728 174.900 -0.714 0.000 1.189 303 G CA 0.700 45.128 45.100 -1.119 0.000 0.986 303 G HN 0.411 nan 8.290 nan 0.000 0.548 304 K N 1.703 121.676 120.400 -0.713 0.000 2.410 304 K HA 0.385 4.704 4.320 -0.001 0.000 0.200 304 K C 1.287 177.568 176.600 -0.532 0.000 1.023 304 K CA 0.346 56.259 56.287 -0.623 0.000 1.149 304 K CB 0.624 32.617 32.500 -0.845 0.000 0.859 304 K HN 0.707 nan 8.250 nan 0.000 0.514 305 G N 1.692 110.279 108.800 -0.355 0.000 2.353 305 G HA2 -0.019 3.940 3.960 -0.001 0.000 0.239 305 G HA3 -0.019 3.940 3.960 -0.001 0.000 0.239 305 G C -0.480 174.371 174.900 -0.082 0.000 1.295 305 G CA -0.314 44.718 45.100 -0.114 0.000 0.884 305 G HN 0.178 nan 8.290 nan 0.000 0.537 306 F N 1.275 121.174 119.950 -0.086 0.000 2.496 306 F HA 0.418 4.946 4.527 0.001 0.000 0.344 306 F C 0.265 176.022 175.800 -0.072 0.000 1.155 306 F CA -0.171 57.784 58.000 -0.075 0.000 1.302 306 F CB 1.320 40.306 39.000 -0.023 0.000 1.159 306 F HN 0.494 nan 8.300 nan 0.000 0.595 307 D N 3.571 123.137 120.400 -1.390 0.000 2.861 307 D HA 0.194 4.834 4.640 -0.001 0.000 0.216 307 D C 0.015 175.726 176.300 -0.981 0.000 1.323 307 D CA -0.530 52.932 54.000 -0.896 0.000 0.917 307 D CB 0.781 41.311 40.800 -0.450 0.000 1.582 307 D HN 0.386 nan 8.370 nan 0.000 0.576 308 N N 1.836 120.216 118.700 -0.534 0.000 2.069 308 N HA -0.130 4.610 4.740 -0.001 0.000 0.191 308 N C 1.741 177.154 175.510 -0.162 0.000 1.031 308 N CA 1.027 53.956 53.050 -0.203 0.000 0.852 308 N CB -0.029 38.477 38.487 0.032 0.000 1.018 308 N HN 0.319 nan 8.380 nan 0.000 0.423 309 V N 1.551 121.379 119.914 -0.143 0.000 2.295 309 V HA -0.153 3.966 4.120 -0.001 0.000 0.246 309 V C 1.601 177.618 176.094 -0.129 0.000 1.049 309 V CA 0.646 62.890 62.300 -0.094 0.000 1.024 309 V CB -0.503 31.270 31.823 -0.083 0.000 0.648 309 V HN 0.218 nan 8.190 nan 0.000 0.447 313 H N 1.405 120.374 119.070 -0.169 0.000 2.299 313 H HA -0.142 4.414 4.556 -0.000 0.000 0.302 313 H C 1.748 176.966 175.328 -0.184 0.000 1.078 313 H CA 2.343 58.307 56.048 -0.140 0.000 1.323 313 H CB 0.124 29.804 29.762 -0.137 0.000 1.381 313 H HN 0.461 nan 8.280 nan 0.000 0.498 314 D N -0.240 120.087 120.400 -0.122 0.000 2.182 314 D HA -0.140 4.500 4.640 -0.001 0.000 0.201 314 D C 2.176 178.188 176.300 -0.479 0.000 0.986 314 D CA 0.892 54.700 54.000 -0.319 0.000 0.847 314 D CB -0.402 40.007 40.800 -0.652 0.000 0.942 314 D HN 0.565 nan 8.370 nan 0.000 0.467 315 H N 0.027 118.843 119.070 -0.422 0.000 2.436 315 H HA 0.141 4.697 4.556 0.001 0.000 0.294 315 H C 2.046 177.324 175.328 -0.084 0.000 1.048 315 H CA 1.046 56.892 56.048 -0.336 0.000 1.353 315 H CB 0.148 29.518 29.762 -0.653 0.000 1.414 315 H HN 0.092 nan 8.280 nan 0.000 0.536 316 A N 1.577 124.396 122.820 -0.002 0.000 1.902 316 A HA -0.048 4.272 4.320 -0.001 0.000 0.217 316 A C 1.739 179.363 177.584 0.067 0.000 1.181 316 A CA 0.378 52.435 52.037 0.033 0.000 0.623 316 A CB -0.752 18.200 19.000 -0.081 0.000 0.818 316 A HN 0.149 nan 8.150 nan 0.000 0.443 320 W N 2.475 123.878 121.300 0.173 0.000 2.318 320 W HA -0.042 4.618 4.660 -0.000 0.000 0.313 320 W C 1.875 178.531 176.519 0.229 0.000 1.221 320 W CA 2.219 59.669 57.345 0.174 0.000 1.266 320 W CB -0.589 28.958 29.460 0.144 0.000 1.150 320 W HN 0.153 nan 8.180 nan 0.000 0.496 321 I N 0.338 120.966 120.570 0.097 0.000 3.111 321 I HA 0.056 4.225 4.170 -0.001 0.000 0.272 321 I C 1.775 177.939 176.117 0.078 0.000 1.268 321 I CA 1.444 62.633 61.300 -0.185 0.000 1.467 321 I CB -0.636 37.579 38.000 0.357 0.000 1.087 321 I HN 0.372 nan 8.210 nan 0.000 0.467 322 G N 0.685 109.584 108.800 0.166 0.000 2.159 322 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.227 322 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.227 322 G C 0.420 175.389 174.900 0.115 0.000 0.986 322 G CA -0.036 45.181 45.100 0.195 0.000 0.651 322 G HN 0.652 nan 8.290 nan 0.000 0.523 323 A N 0.499 123.377 122.820 0.096 0.000 2.488 323 A HA 0.545 4.864 4.320 -0.001 0.000 0.249 323 A C 1.132 178.666 177.584 -0.083 0.000 1.083 323 A CA 0.941 52.831 52.037 -0.245 0.000 0.768 323 A CB 0.151 19.117 19.000 -0.056 0.000 1.017 323 A HN 1.184 nan 8.150 nan 0.000 0.496 324 N N 0.209 118.787 118.700 -0.203 0.000 2.205 324 N HA 0.132 4.871 4.740 -0.001 0.000 0.201 324 N C -0.168 175.396 175.510 0.090 0.000 1.128 324 N CA 0.490 53.547 53.050 0.011 0.000 0.867 324 N CB 0.312 38.736 38.487 -0.107 0.000 0.996 324 N HN 0.717 nan 8.380 nan 0.000 0.503 325 S N -1.367 114.362 115.700 0.049 0.000 2.636 325 S HA 0.629 5.099 4.470 -0.001 0.000 0.268 325 S C -1.391 173.354 174.600 0.242 0.000 1.159 325 S CA -1.014 57.278 58.200 0.154 0.000 0.815 325 S CB 0.948 64.262 63.200 0.190 0.000 1.130 325 S HN 0.386 nan 8.310 nan 0.000 0.471 326 Y N -0.935 119.380 120.300 0.025 0.000 2.705 326 Y HA 0.817 5.367 4.550 0.001 0.000 0.332 326 Y C -0.900 174.946 175.900 -0.091 0.000 1.221 326 Y CA -1.373 56.719 58.100 -0.014 0.000 1.059 326 Y CB 0.986 39.443 38.460 -0.005 0.000 1.298 326 Y HN 0.999 nan 8.280 nan 0.000 0.459 327 R N 0.775 121.256 120.500 -0.031 0.000 2.637 327 R HA 0.494 4.834 4.340 -0.001 0.000 0.291 327 R C -1.022 175.116 176.300 -0.270 0.000 0.963 327 R CA -0.531 55.437 56.100 -0.220 0.000 0.901 327 R CB 1.747 31.953 30.300 -0.156 0.000 1.160 327 R HN 0.942 nan 8.270 nan 0.000 0.457 328 T N 1.344 115.568 114.554 -0.550 0.000 2.855 328 T HA 0.172 4.522 4.350 -0.001 0.000 0.290 328 T C -0.063 174.252 174.700 -0.642 0.000 0.941 328 T CA -0.684 60.725 62.100 -1.151 0.000 1.030 328 T CB 0.184 68.312 68.868 -1.233 0.000 0.935 328 T HN 0.527 nan 8.240 nan 0.000 0.564 329 S N 3.650 119.036 115.700 -0.523 0.000 2.560 329 S HA 0.151 4.621 4.470 -0.001 0.000 0.284 329 S C 0.616 174.763 174.600 -0.755 0.000 1.327 329 S CA -0.402 57.409 58.200 -0.648 0.000 1.055 329 S CB -0.411 62.410 63.200 -0.633 0.000 0.868 329 S HN 1.017 nan 8.310 nan 0.000 0.506 330 H N -0.826 117.956 119.070 -0.479 0.000 4.158 330 H HA -0.237 4.319 4.556 -0.001 0.000 0.150 330 H C -0.470 174.707 175.328 -0.252 0.000 0.823 330 H CA 1.920 57.738 56.048 -0.382 0.000 1.252 330 H CB -1.711 27.945 29.762 -0.176 0.000 0.889 330 H HN 0.890 nan 8.280 nan 0.000 0.437 331 Y N -5.179 115.090 120.300 -0.051 0.000 2.732 331 Y HA 0.523 5.072 4.550 -0.002 0.000 0.342 331 Y C -3.303 172.590 175.900 -0.012 0.000 1.203 331 Y CA -2.972 54.987 58.100 -0.235 0.000 1.092 331 Y CB 0.165 38.037 38.460 -0.979 0.000 1.345 331 Y HN -0.320 nan 8.280 nan 0.000 0.458 332 P HA 0.176 nan 4.420 nan 0.000 0.271 332 P C -0.920 176.717 177.300 0.561 0.000 1.216 332 P CA 0.398 63.689 63.100 0.318 0.000 0.771 332 P CB 0.281 32.178 31.700 0.328 0.000 0.864 333 Y N 0.804 121.223 120.300 0.198 0.000 2.334 333 Y HA 0.403 4.952 4.550 -0.000 0.000 0.325 333 Y C 1.341 177.352 175.900 0.184 0.000 1.308 333 Y CA -1.860 56.374 58.100 0.223 0.000 1.389 333 Y CB 0.740 39.306 38.460 0.177 0.000 1.328 333 Y HN 0.327 nan 8.280 nan 0.000 0.532 334 A N 1.652 124.652 122.820 0.301 0.000 2.580 334 A HA -0.087 4.233 4.320 -0.001 0.000 0.244 334 A C 0.896 178.529 177.584 0.082 0.000 1.045 334 A CA -0.199 51.894 52.037 0.094 0.000 0.761 334 A CB -0.100 18.839 19.000 -0.100 0.000 0.962 334 A HN 0.944 nan 8.150 nan 0.000 0.512 335 E N 2.026 122.253 120.200 0.044 0.000 2.130 335 E HA -0.176 4.174 4.350 -0.001 0.000 0.196 335 E C 0.713 177.326 176.600 0.023 0.000 0.998 335 E CA 1.655 58.094 56.400 0.065 0.000 0.806 335 E CB -0.260 29.503 29.700 0.105 0.000 0.738 335 E HN 0.872 nan 8.360 nan 0.000 0.459 339 D N 0.661 121.060 120.400 -0.000 0.000 2.104 339 D HA -0.238 4.402 4.640 -0.001 0.000 0.194 339 D C 1.569 177.993 176.300 0.207 0.000 0.994 339 D CA 1.773 55.858 54.000 0.141 0.000 0.830 339 D CB -0.123 40.771 40.800 0.157 0.000 0.959 339 D HN 0.416 nan 8.370 nan 0.000 0.452 340 W N 2.025 123.356 121.300 0.051 0.000 2.318 340 W HA -0.240 4.421 4.660 0.002 0.000 0.313 340 W C 2.282 178.884 176.519 0.138 0.000 1.221 340 W CA 2.138 59.509 57.345 0.043 0.000 1.266 340 W CB -0.408 28.922 29.460 -0.218 0.000 1.150 340 W HN -0.038 nan 8.180 nan 0.000 0.496 341 A N 0.526 123.607 122.820 0.434 0.000 1.877 341 A HA -0.248 4.072 4.320 -0.001 0.000 0.216 341 A C 1.741 179.571 177.584 0.409 0.000 1.186 341 A CA 2.184 54.475 52.037 0.423 0.000 0.620 341 A CB -1.140 18.050 19.000 0.318 0.000 0.822 341 A HN 0.230 nan 8.150 nan 0.000 0.443 342 D N -0.684 119.913 120.400 0.329 0.000 2.106 342 D HA -0.193 4.446 4.640 -0.001 0.000 0.191 342 D C 1.923 178.487 176.300 0.441 0.000 0.997 342 D CA 1.730 55.981 54.000 0.419 0.000 0.834 342 D CB -0.328 40.626 40.800 0.257 0.000 0.956 342 D HN 0.740 nan 8.370 nan 0.000 0.448 343 E N -0.667 119.636 120.200 0.172 0.000 2.107 343 E HA -0.152 4.198 4.350 -0.001 0.000 0.191 343 E C 1.019 177.449 176.600 -0.284 0.000 0.982 343 E CA 0.743 57.090 56.400 -0.089 0.000 0.809 343 E CB 0.076 29.624 29.700 -0.253 0.000 0.756 343 E HN 0.384 nan 8.360 nan 0.000 0.459 344 H N -1.324 117.660 119.070 -0.143 0.000 2.529 344 H HA 0.294 4.850 4.556 0.000 0.000 0.277 344 H C 0.717 175.976 175.328 -0.115 0.000 1.004 344 H CA 0.565 56.525 56.048 -0.147 0.000 1.167 344 H CB 1.083 30.773 29.762 -0.121 0.000 1.445 344 H HN 0.302 nan 8.280 nan 0.000 0.554 345 G N 1.088 109.838 108.800 -0.083 0.000 2.246 345 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.273 345 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.273 345 G C -0.013 174.883 174.900 -0.007 0.000 1.055 345 G CA 0.101 44.944 45.100 -0.428 0.000 0.851 345 G HN 0.381 nan 8.290 nan 0.000 0.500 346 I N 0.001 120.741 120.570 0.284 0.000 2.428 346 I HA 0.339 4.509 4.170 -0.001 0.000 0.289 346 I C 0.857 177.161 176.117 0.311 0.000 1.019 346 I CA -0.876 60.620 61.300 0.327 0.000 1.351 346 I CB 1.583 39.849 38.000 0.444 0.000 1.412 346 I HN -0.098 nan 8.210 nan 0.000 0.513 347 V N 7.374 127.402 119.914 0.190 0.000 2.465 347 V HA 0.312 4.432 4.120 -0.001 0.000 0.279 347 V C 0.089 176.153 176.094 -0.049 0.000 1.045 347 V CA -0.384 61.961 62.300 0.074 0.000 0.938 347 V CB 1.585 33.368 31.823 -0.066 0.000 0.986 347 V HN 0.398 nan 8.190 nan 0.000 0.467 348 V N 6.221 126.037 119.914 -0.164 0.000 2.735 348 V HA 0.518 4.638 4.120 -0.001 0.000 0.310 348 V C -0.287 175.611 176.094 -0.327 0.000 1.061 348 V CA -0.587 61.471 62.300 -0.403 0.000 0.913 348 V CB 2.231 33.736 31.823 -0.529 0.000 1.005 348 V HN 0.651 nan 8.190 nan 0.000 0.428 349 I N 3.179 123.526 120.570 -0.371 0.000 2.330 349 I HA 0.350 4.520 4.170 -0.001 0.000 0.289 349 I C -0.638 175.297 176.117 -0.304 0.000 1.001 349 I CA -0.247 60.864 61.300 -0.315 0.000 1.193 349 I CB 1.381 39.195 38.000 -0.311 0.000 1.345 349 I HN 0.544 nan 8.210 nan 0.000 0.461 350 D N 6.598 126.855 120.400 -0.237 0.000 2.198 350 D HA 0.251 4.891 4.640 -0.001 0.000 0.245 350 D C -0.622 175.701 176.300 0.038 0.000 1.079 350 D CA -0.031 53.900 54.000 -0.115 0.000 0.854 350 D CB 1.333 42.116 40.800 -0.029 0.000 1.148 350 D HN 0.547 nan 8.370 nan 0.000 0.456 351 E N 1.809 122.002 120.200 -0.012 0.000 2.248 351 E HA 0.383 4.733 4.350 -0.001 0.000 0.267 351 E C -0.343 176.298 176.600 0.069 0.000 0.877 351 E CA -0.764 55.650 56.400 0.024 0.000 0.759 351 E CB 1.143 30.809 29.700 -0.058 0.000 1.182 351 E HN 0.476 nan 8.360 nan 0.000 0.418 352 T N 0.442 115.063 114.554 0.111 0.000 2.701 352 T HA 0.275 4.624 4.350 -0.001 0.000 0.303 352 T C 0.979 175.744 174.700 0.108 0.000 1.030 352 T CA 0.077 62.250 62.100 0.122 0.000 1.010 352 T CB 1.153 70.098 68.868 0.128 0.000 1.007 352 T HN 0.473 nan 8.240 nan 0.000 0.532 353 A N 0.015 122.919 122.820 0.139 0.000 2.291 353 A HA 0.561 4.881 4.320 -0.001 0.000 0.220 353 A C 1.637 179.322 177.584 0.168 0.000 1.262 353 A CA 0.128 52.268 52.037 0.171 0.000 0.867 353 A CB -1.080 18.070 19.000 0.250 0.000 0.888 353 A HN 1.212 nan 8.150 nan 0.000 0.487 354 A N 0.442 123.311 122.820 0.082 0.000 3.077 354 A HA 0.487 4.807 4.320 -0.001 0.000 0.255 354 A C 0.330 177.999 177.584 0.142 0.000 1.728 354 A CA -0.073 51.995 52.037 0.052 0.000 1.383 354 A CB -0.859 17.895 19.000 -0.409 0.000 1.097 354 A HN 0.643 nan 8.150 nan 0.000 0.634 355 V N 0.575 120.618 119.914 0.215 0.000 2.973 355 V HA 0.737 4.856 4.120 -0.001 0.000 0.314 355 V C 1.154 177.489 176.094 0.402 0.000 1.066 355 V CA 0.958 63.372 62.300 0.191 0.000 1.021 355 V CB 1.413 33.244 31.823 0.013 0.000 1.076 355 V HN 1.665 nan 8.190 nan 0.000 0.462 356 G N 3.674 112.718 108.800 0.408 0.000 2.176 356 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.232 356 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.232 356 G C 0.492 175.675 174.900 0.471 0.000 0.986 356 G CA 0.502 45.882 45.100 0.467 0.000 0.643 356 G HN 0.814 nan 8.290 nan 0.000 0.522 357 F N 1.010 121.107 119.950 0.245 0.000 2.529 357 F HA 0.042 4.568 4.527 -0.001 0.000 0.297 357 F C 1.618 177.486 175.800 0.113 0.000 1.114 357 F CA 0.920 59.046 58.000 0.210 0.000 1.467 357 F CB 0.125 39.285 39.000 0.266 0.000 1.096 357 F HN 0.195 nan 8.300 nan 0.000 0.586 358 N N 0.538 119.382 118.700 0.240 0.000 2.400 358 N HA 0.176 4.916 4.740 -0.001 0.000 0.288 358 N C 0.021 175.504 175.510 -0.045 0.000 1.024 358 N CA -0.256 52.878 53.050 0.140 0.000 0.894 358 N CB 1.597 40.222 38.487 0.231 0.000 1.173 358 N HN -0.101 nan 8.380 nan 0.000 0.487 359 L N 1.956 123.108 121.223 -0.118 0.000 2.640 359 L HA 0.272 4.612 4.340 -0.001 0.000 0.230 359 L C 1.657 178.453 176.870 -0.124 0.000 1.123 359 L CA 0.568 55.259 54.840 -0.250 0.000 0.900 359 L CB -0.669 41.239 42.059 -0.251 0.000 1.146 359 L HN 0.512 nan 8.230 nan 0.000 0.484 360 S N -0.731 114.954 115.700 -0.026 0.000 2.535 360 S HA 0.272 4.742 4.470 -0.001 0.000 0.214 360 S C 0.950 175.542 174.600 -0.014 0.000 0.980 360 S CA -0.151 58.002 58.200 -0.080 0.000 0.907 360 S CB 0.119 63.168 63.200 -0.251 0.000 0.790 360 S HN 0.213 nan 8.310 nan 0.000 0.510 361 L N 2.512 123.793 121.223 0.096 0.000 2.422 361 L HA 0.425 4.765 4.340 -0.001 0.000 0.256 361 L C 0.752 177.627 176.870 0.009 0.000 1.202 361 L CA -0.762 54.125 54.840 0.079 0.000 1.119 361 L CB 0.100 42.228 42.059 0.114 0.000 1.383 361 L HN 0.083 nan 8.230 nan 0.000 0.411 362 G N 0.789 109.563 108.800 -0.043 0.000 2.451 362 G HA2 0.687 4.647 3.960 -0.001 0.000 0.303 362 G HA3 0.687 4.647 3.960 -0.001 0.000 0.303 362 G C 0.089 174.926 174.900 -0.105 0.000 1.166 362 G CA -0.199 44.861 45.100 -0.066 0.000 0.884 362 G HN 0.286 nan 8.290 nan 0.000 0.514 363 I N -0.056 120.436 120.570 -0.131 0.000 3.211 363 I HA 0.769 4.939 4.170 -0.001 0.000 0.297 363 I C 1.353 177.265 176.117 -0.341 0.000 1.095 363 I CA -0.288 60.889 61.300 -0.205 0.000 1.239 363 I CB 0.092 37.977 38.000 -0.193 0.000 1.455 363 I HN 0.937 nan 8.210 nan 0.000 0.630 364 G N 0.567 108.982 108.800 -0.640 0.000 2.527 364 G HA2 0.498 4.458 3.960 -0.001 0.000 0.248 364 G HA3 0.498 4.458 3.960 -0.001 0.000 0.248 364 G C 0.269 174.527 174.900 -1.070 0.000 1.231 364 G CA 0.572 45.054 45.100 -1.030 0.000 0.838 364 G HN 2.258 nan 8.290 nan 0.000 0.570 365 F N -2.719 117.229 119.950 -0.004 0.000 2.890 365 F HA -0.202 4.324 4.527 -0.002 0.000 0.346 365 F C 0.418 176.215 175.800 -0.004 0.000 0.660 365 F CA 0.700 58.697 58.000 -0.005 0.000 1.091 365 F CB -1.679 37.319 39.000 -0.004 0.000 1.535 365 F HN 0.410 nan 8.300 nan 0.000 0.314 366 E N 1.932 122.206 120.200 0.123 0.000 1.932 366 E HA 0.484 4.834 4.350 -0.001 0.000 0.275 366 E C 1.406 178.038 176.600 0.054 0.000 1.159 366 E CA 0.567 57.020 56.400 0.089 0.000 0.905 366 E CB 1.202 30.927 29.700 0.042 0.000 1.059 366 E HN 0.452 nan 8.360 nan 0.000 0.400 367 A N 3.528 126.386 122.820 0.064 0.000 1.927 367 A HA -0.129 4.190 4.320 -0.001 0.000 0.220 367 A C 1.194 178.792 177.584 0.024 0.000 1.185 367 A CA 1.838 53.901 52.037 0.043 0.000 0.639 367 A CB -0.068 18.956 19.000 0.039 0.000 0.820 367 A HN 0.542 nan 8.150 nan 0.000 0.451 368 G N -2.575 106.240 108.800 0.025 0.000 2.658 368 G HA2 0.518 4.478 3.960 -0.001 0.000 0.292 368 G HA3 0.518 4.478 3.960 -0.001 0.000 0.292 368 G C -1.534 173.383 174.900 0.028 0.000 1.320 368 G CA -0.473 44.640 45.100 0.022 0.000 0.933 368 G HN 0.206 nan 8.290 nan 0.000 0.476 369 N N -1.358 117.365 118.700 0.038 0.000 2.431 369 N HA 0.663 5.403 4.740 -0.001 0.000 0.275 369 N C -0.795 174.746 175.510 0.052 0.000 1.091 369 N CA -0.301 52.768 53.050 0.032 0.000 0.922 369 N CB 2.110 40.610 38.487 0.022 0.000 1.666 369 N HN 0.873 nan 8.380 nan 0.000 0.484 370 K N 1.515 121.935 120.400 0.034 0.000 2.422 370 K HA 0.751 5.070 4.320 -0.001 0.000 0.251 370 K C -2.753 173.847 176.600 0.001 0.000 0.933 370 K CA -1.450 54.869 56.287 0.053 0.000 0.798 370 K CB 0.323 32.827 32.500 0.006 0.000 1.238 370 K HN 0.468 nan 8.250 nan 0.000 0.428 371 P HA 0.040 nan 4.420 nan 0.000 0.263 371 P C 0.021 177.245 177.300 -0.127 0.000 1.168 371 P CA 0.100 63.139 63.100 -0.102 0.000 0.759 371 P CB 0.646 32.197 31.700 -0.248 0.000 0.782 372 K N 1.165 121.502 120.400 -0.106 0.000 2.365 372 K HA 0.009 4.328 4.320 -0.001 0.000 0.197 372 K C 0.272 176.810 176.600 -0.102 0.000 1.042 372 K CA 0.757 56.990 56.287 -0.089 0.000 0.987 372 K CB 0.333 32.798 32.500 -0.059 0.000 0.779 372 K HN 0.520 nan 8.250 nan 0.000 0.484 373 E N 1.458 121.576 120.200 -0.136 0.000 2.145 373 E HA 0.014 4.364 4.350 -0.001 0.000 0.262 373 E C 0.331 176.783 176.600 -0.247 0.000 0.883 373 E CA -0.177 56.146 56.400 -0.129 0.000 0.748 373 E CB 1.854 31.503 29.700 -0.085 0.000 1.140 373 E HN -0.045 nan 8.360 nan 0.000 0.417 374 L N 3.801 124.866 121.223 -0.264 0.000 2.012 374 L HA -0.169 4.171 4.340 -0.001 0.000 0.210 374 L C 0.358 176.805 176.870 -0.704 0.000 1.073 374 L CA 1.996 56.520 54.840 -0.526 0.000 0.748 374 L CB -0.355 41.388 42.059 -0.527 0.000 0.891 374 L HN 0.447 nan 8.230 nan 0.000 0.431 375 Y N 0.650 120.849 120.300 -0.167 0.000 2.751 375 Y HA 0.485 5.035 4.550 -0.000 0.000 0.333 375 Y C 0.420 176.236 175.900 -0.141 0.000 1.122 375 Y CA -0.111 57.898 58.100 -0.152 0.000 1.367 375 Y CB -0.005 38.423 38.460 -0.053 0.000 1.242 375 Y HN 0.165 nan 8.280 nan 0.000 0.505 376 S N -0.676 114.936 115.700 -0.147 0.000 2.596 376 S HA 0.349 4.819 4.470 -0.001 0.000 0.270 376 S C 0.406 174.911 174.600 -0.158 0.000 1.155 376 S CA -1.016 57.108 58.200 -0.125 0.000 0.827 376 S CB 1.764 64.868 63.200 -0.160 0.000 1.130 376 S HN 0.330 nan 8.310 nan 0.000 0.467 377 E N 1.373 121.512 120.200 -0.101 0.000 2.209 377 E HA -0.174 4.176 4.350 -0.001 0.000 0.196 377 E C 1.756 178.275 176.600 -0.136 0.000 0.993 377 E CA 1.924 58.273 56.400 -0.087 0.000 0.819 377 E CB -0.314 29.359 29.700 -0.046 0.000 0.745 377 E HN 0.903 nan 8.360 nan 0.000 0.477 378 E N 0.740 120.826 120.200 -0.189 0.000 2.028 378 E HA -0.082 4.268 4.350 -0.001 0.000 0.191 378 E C 2.036 178.350 176.600 -0.476 0.000 0.988 378 E CA 1.361 57.624 56.400 -0.228 0.000 0.799 378 E CB -0.266 29.335 29.700 -0.166 0.000 0.755 378 E HN 0.137 nan 8.360 nan 0.000 0.447 379 A N 1.055 123.418 122.820 -0.760 0.000 1.862 379 A HA 0.227 4.547 4.320 -0.001 0.000 0.211 379 A C 1.018 177.906 177.584 -1.159 0.000 1.220 379 A CA 0.662 51.789 52.037 -1.517 0.000 0.616 379 A CB 0.350 18.422 19.000 -1.546 0.000 0.878 379 A HN 0.123 nan 8.150 nan 0.000 0.453 380 V N 2.177 121.700 119.914 -0.652 0.000 2.445 380 V HA 0.360 4.480 4.120 -0.001 0.000 0.283 380 V C -1.267 174.728 176.094 -0.165 0.000 1.014 380 V CA -0.604 61.474 62.300 -0.369 0.000 0.852 380 V CB 0.851 32.357 31.823 -0.529 0.000 1.021 380 V HN 0.780 nan 8.190 nan 0.000 0.435 381 N N 2.958 121.650 118.700 -0.013 0.000 3.038 381 N HA 0.525 5.264 4.740 -0.001 0.000 0.307 381 N C 1.298 176.905 175.510 0.161 0.000 1.441 381 N CA -0.114 52.973 53.050 0.061 0.000 0.772 381 N CB 1.014 39.505 38.487 0.006 0.000 1.651 381 N HN 0.285 nan 8.380 nan 0.000 0.593 382 G N -0.094 108.784 108.800 0.128 0.000 2.606 382 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.221 382 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.221 382 G C 1.011 175.984 174.900 0.123 0.000 1.152 382 G CA 1.352 46.524 45.100 0.121 0.000 0.765 382 G HN 0.664 nan 8.290 nan 0.000 0.595 383 E N -0.007 120.256 120.200 0.104 0.000 2.085 383 E HA -0.058 4.292 4.350 -0.001 0.000 0.194 383 E C 2.908 179.601 176.600 0.155 0.000 0.994 383 E CA 1.415 57.876 56.400 0.102 0.000 0.801 383 E CB -0.737 29.009 29.700 0.077 0.000 0.743 383 E HN 0.399 nan 8.360 nan 0.000 0.453 384 T N 0.375 115.052 114.554 0.206 0.000 2.708 384 T HA -0.210 4.140 4.350 -0.001 0.000 0.266 384 T C 1.823 176.787 174.700 0.439 0.000 1.037 384 T CA 1.501 63.781 62.100 0.299 0.000 1.146 384 T CB -0.234 68.809 68.868 0.292 0.000 0.865 384 T HN 0.244 nan 8.240 nan 0.000 0.435 385 Q N 0.099 120.190 119.800 0.485 0.000 2.181 385 Q HA -0.180 4.160 4.340 -0.001 0.000 0.205 385 Q C 2.368 178.445 176.000 0.129 0.000 0.980 385 Q CA 1.073 57.045 55.803 0.282 0.000 0.862 385 Q CB 0.005 28.769 28.738 0.044 0.000 0.905 385 Q HN 0.352 nan 8.270 nan 0.000 0.429 386 Q N -0.342 119.536 119.800 0.130 0.000 2.079 386 Q HA -0.066 4.274 4.340 -0.001 0.000 0.200 386 Q C 1.901 177.971 176.000 0.117 0.000 0.974 386 Q CA 1.530 57.383 55.803 0.083 0.000 0.840 386 Q CB -0.346 28.430 28.738 0.064 0.000 0.898 386 Q HN 0.472 nan 8.270 nan 0.000 0.430 387 A N 0.068 122.984 122.820 0.160 0.000 2.015 387 A HA -0.184 4.135 4.320 -0.001 0.000 0.219 387 A C 1.952 179.659 177.584 0.205 0.000 1.163 387 A CA 1.407 53.533 52.037 0.148 0.000 0.646 387 A CB -0.561 18.519 19.000 0.134 0.000 0.806 387 A HN 0.342 nan 8.150 nan 0.000 0.448 388 H N -0.388 118.780 119.070 0.164 0.000 2.333 388 H HA -0.052 4.504 4.556 -0.000 0.000 0.302 388 H C 1.943 177.306 175.328 0.058 0.000 1.075 388 H CA 1.761 57.903 56.048 0.156 0.000 1.348 388 H CB -0.429 29.454 29.762 0.202 0.000 1.393 388 H HN 0.335 nan 8.280 nan 0.000 0.509 389 L N 1.258 122.580 121.223 0.164 0.000 2.042 389 L HA -0.187 4.153 4.340 -0.001 0.000 0.210 389 L C 2.563 179.467 176.870 0.057 0.000 1.076 389 L CA 2.010 56.873 54.840 0.039 0.000 0.749 389 L CB -0.842 41.202 42.059 -0.026 0.000 0.893 389 L HN 0.225 nan 8.230 nan 0.000 0.432 390 Q N -0.317 119.530 119.800 0.078 0.000 2.096 390 Q HA -0.154 4.186 4.340 -0.001 0.000 0.204 390 Q C 2.161 178.212 176.000 0.085 0.000 0.982 390 Q CA 2.207 58.049 55.803 0.066 0.000 0.850 390 Q CB -0.514 28.262 28.738 0.063 0.000 0.901 390 Q HN 0.601 nan 8.270 nan 0.000 0.422 391 A N 0.056 122.950 122.820 0.123 0.000 1.933 391 A HA -0.124 4.196 4.320 -0.001 0.000 0.218 391 A C 2.119 179.766 177.584 0.106 0.000 1.175 391 A CA 1.435 53.553 52.037 0.135 0.000 0.628 391 A CB -0.698 18.388 19.000 0.143 0.000 0.814 391 A HN 0.478 nan 8.150 nan 0.000 0.444 392 I N -0.536 120.093 120.570 0.097 0.000 2.113 392 I HA -0.289 3.881 4.170 -0.001 0.000 0.238 392 I C 2.484 178.543 176.117 -0.097 0.000 1.070 392 I CA 1.699 62.995 61.300 -0.006 0.000 1.332 392 I CB -0.476 37.512 38.000 -0.019 0.000 1.044 392 I HN 0.289 nan 8.210 nan 0.000 0.402 393 K N 0.869 121.228 120.400 -0.068 0.000 2.015 393 K HA -0.258 4.061 4.320 -0.001 0.000 0.216 393 K C 2.036 178.603 176.600 -0.055 0.000 1.052 393 K CA 2.012 58.248 56.287 -0.085 0.000 0.937 393 K CB -0.297 32.178 32.500 -0.042 0.000 0.719 393 K HN 0.381 nan 8.250 nan 0.000 0.446 394 E N 0.578 120.791 120.200 0.021 0.000 2.085 394 E HA -0.223 4.127 4.350 -0.001 0.000 0.194 394 E C 2.063 178.698 176.600 0.059 0.000 0.994 394 E CA 1.069 57.513 56.400 0.074 0.000 0.801 394 E CB -0.152 29.645 29.700 0.162 0.000 0.743 394 E HN 0.145 nan 8.360 nan 0.000 0.453 395 L N 1.195 122.439 121.223 0.034 0.000 2.017 395 L HA -0.148 4.191 4.340 -0.001 0.000 0.208 395 L C 2.058 178.891 176.870 -0.062 0.000 1.073 395 L CA 1.594 56.458 54.840 0.040 0.000 0.745 395 L CB -0.345 41.742 42.059 0.046 0.000 0.894 395 L HN 0.086 nan 8.230 nan 0.000 0.432 396 I N -0.249 120.135 120.570 -0.309 0.000 2.252 396 I HA -0.232 3.938 4.170 -0.001 0.000 0.245 396 I C 2.594 178.629 176.117 -0.138 0.000 1.102 396 I CA 1.014 62.017 61.300 -0.494 0.000 1.385 396 I CB -0.748 36.814 38.000 -0.730 0.000 1.064 396 I HN 0.373 nan 8.210 nan 0.000 0.414 397 A N 0.759 123.524 122.820 -0.093 0.000 1.986 397 A HA -0.254 4.066 4.320 -0.001 0.000 0.220 397 A C 2.469 180.076 177.584 0.038 0.000 1.171 397 A CA 1.714 53.735 52.037 -0.026 0.000 0.640 397 A CB -0.617 18.378 19.000 -0.008 0.000 0.811 397 A HN 0.339 nan 8.150 nan 0.000 0.451 398 R N -1.044 119.502 120.500 0.076 0.000 2.062 398 R HA -0.077 4.263 4.340 -0.001 0.000 0.226 398 R C 0.445 176.841 176.300 0.160 0.000 1.125 398 R CA 1.518 57.694 56.100 0.126 0.000 0.966 398 R CB -0.037 30.361 30.300 0.164 0.000 0.861 398 R HN 0.368 nan 8.270 nan 0.000 0.433 399 D N -0.125 120.424 120.400 0.249 0.000 2.398 399 D HA -0.027 4.613 4.640 -0.001 0.000 0.210 399 D C 1.124 177.638 176.300 0.357 0.000 1.094 399 D CA 0.232 54.475 54.000 0.406 0.000 0.839 399 D CB 0.470 41.595 40.800 0.542 0.000 0.963 399 D HN 0.344 nan 8.370 nan 0.000 0.506 400 K N 0.371 120.923 120.400 0.255 0.000 2.280 400 K HA -0.075 4.245 4.320 -0.001 0.000 0.202 400 K C 0.608 177.244 176.600 0.061 0.000 1.047 400 K CA 0.978 57.406 56.287 0.235 0.000 0.942 400 K CB -0.253 32.308 32.500 0.102 0.000 0.739 400 K HN 0.018 nan 8.250 nan 0.000 0.457 401 N N 0.217 118.886 118.700 -0.051 0.000 2.270 401 N HA 0.026 4.766 4.740 -0.001 0.000 0.198 401 N C -0.597 174.812 175.510 -0.167 0.000 1.117 401 N CA -0.254 52.728 53.050 -0.114 0.000 0.845 401 N CB 0.259 38.679 38.487 -0.113 0.000 0.980 401 N HN 0.147 nan 8.380 nan 0.000 0.486 402 H N 1.521 120.561 119.070 -0.050 0.000 2.934 402 H HA 0.087 4.643 4.556 0.000 0.000 0.273 402 H C -1.427 173.736 175.328 -0.276 0.000 1.121 402 H CA -1.804 54.175 56.048 -0.114 0.000 1.451 402 H CB 1.075 30.803 29.762 -0.058 0.000 1.469 402 H HN 0.190 nan 8.280 nan 0.000 0.476 403 P HA -0.128 nan 4.420 nan 0.000 0.223 403 P C 1.445 178.221 177.300 -0.872 0.000 1.151 403 P CA 0.878 63.569 63.100 -0.681 0.000 0.787 403 P CB 0.280 31.311 31.700 -1.115 0.000 0.788 404 S N -1.160 114.215 115.700 -0.541 0.000 2.447 404 S HA -0.030 4.440 4.470 -0.001 0.000 0.233 404 S C 0.977 175.421 174.600 -0.261 0.000 1.006 404 S CA 0.263 58.288 58.200 -0.291 0.000 0.957 404 S CB -1.366 61.853 63.200 0.031 0.000 0.773 404 S HN -0.066 nan 8.310 nan 0.000 0.507 405 V N 3.885 123.623 119.914 -0.293 0.000 2.427 405 V HA 0.429 4.548 4.120 -0.001 0.000 0.268 405 V C 0.498 176.350 176.094 -0.405 0.000 1.046 405 V CA -0.345 61.729 62.300 -0.375 0.000 0.970 405 V CB 0.447 31.978 31.823 -0.488 0.000 1.001 405 V HN 0.470 nan 8.190 nan 0.000 0.476 409 S N 2.528 118.339 115.700 0.186 0.000 2.437 409 S HA 0.482 4.951 4.470 -0.001 0.000 0.305 409 S C 0.006 174.672 174.600 0.110 0.000 1.109 409 S CA -0.297 57.941 58.200 0.063 0.000 1.099 409 S CB 0.890 64.060 63.200 -0.050 0.000 1.004 409 S HN 0.476 nan 8.310 nan 0.000 0.475 410 I N 4.109 124.735 120.570 0.094 0.000 3.427 410 I HA 0.478 4.648 4.170 -0.001 0.000 0.288 410 I C 0.847 177.102 176.117 0.231 0.000 1.249 410 I CA 0.867 62.286 61.300 0.198 0.000 1.421 410 I CB 0.251 38.415 38.000 0.273 0.000 1.086 410 I HN 0.855 nan 8.210 nan 0.000 0.448 411 A N 0.065 122.935 122.820 0.084 0.000 2.569 411 A HA 0.568 4.888 4.320 -0.001 0.000 0.292 411 A C -1.260 176.291 177.584 -0.054 0.000 1.032 411 A CA -0.706 51.364 52.037 0.056 0.000 0.669 411 A CB 0.463 19.568 19.000 0.176 0.000 1.290 411 A HN 0.045 nan 8.150 nan 0.000 0.422 412 N N 0.682 119.352 118.700 -0.051 0.000 2.483 412 N HA 0.494 5.233 4.740 -0.001 0.000 0.267 412 N C -0.500 174.958 175.510 -0.086 0.000 0.998 412 N CA 0.007 52.993 53.050 -0.106 0.000 0.918 412 N CB 0.744 39.109 38.487 -0.203 0.000 1.215 412 N HN 0.688 nan 8.380 nan 0.000 0.500 413 E N 0.461 120.594 120.200 -0.112 0.000 2.320 413 E HA -0.152 4.198 4.350 -0.001 0.000 0.234 413 E C -2.313 174.300 176.600 0.023 0.000 1.183 413 E CA 0.109 56.457 56.400 -0.087 0.000 0.713 413 E CB -1.139 28.511 29.700 -0.082 0.000 1.226 413 E HN 0.581 nan 8.360 nan 0.000 0.382 414 P HA -0.007 nan 4.420 nan 0.000 0.271 414 P C -0.132 177.287 177.300 0.197 0.000 1.216 414 P CA 0.041 63.283 63.100 0.238 0.000 0.776 414 P CB 0.693 32.550 31.700 0.261 0.000 0.881 415 D N 2.081 122.668 120.400 0.311 0.000 2.346 415 D HA 0.033 4.672 4.640 -0.001 0.000 0.260 415 D C 1.034 177.574 176.300 0.400 0.000 1.252 415 D CA 0.285 54.502 54.000 0.361 0.000 0.895 415 D CB 0.199 41.217 40.800 0.364 0.000 1.097 415 D HN 0.284 nan 8.370 nan 0.000 0.489 416 T N 0.727 115.453 114.554 0.287 0.000 3.105 416 T HA 0.162 4.512 4.350 -0.001 0.000 0.253 416 T C 1.576 176.402 174.700 0.210 0.000 1.047 416 T CA -0.155 62.085 62.100 0.233 0.000 0.944 416 T CB 0.242 69.182 68.868 0.120 0.000 1.016 416 T HN 0.228 nan 8.240 nan 0.000 0.544 417 R N 1.467 122.114 120.500 0.245 0.000 2.057 417 R HA 0.120 4.460 4.340 -0.001 0.000 0.229 417 R C -1.556 174.837 176.300 0.155 0.000 1.136 417 R CA 0.321 56.533 56.100 0.187 0.000 0.952 417 R CB -1.635 28.777 30.300 0.186 0.000 0.848 417 R HN 0.363 nan 8.270 nan 0.000 0.430 418 P HA -0.078 nan 4.420 nan 0.000 0.264 418 P C -0.907 176.456 177.300 0.106 0.000 1.183 418 P CA 0.219 63.423 63.100 0.175 0.000 0.763 418 P CB 0.474 32.350 31.700 0.293 0.000 0.807 419 Q N 2.547 122.386 119.800 0.066 0.000 2.392 419 Q HA 0.347 4.686 4.340 -0.001 0.000 0.262 419 Q C 1.153 177.135 176.000 -0.029 0.000 1.003 419 Q CA 0.767 56.581 55.803 0.019 0.000 0.888 419 Q CB -0.090 28.664 28.738 0.026 0.000 1.260 419 Q HN 0.738 nan 8.270 nan 0.000 0.435 420 G N 1.599 110.352 108.800 -0.078 0.000 2.241 420 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.244 420 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.244 420 G C 0.964 175.593 174.900 -0.452 0.000 0.998 420 G CA 0.473 45.486 45.100 -0.144 0.000 0.621 420 G HN 1.364 nan 8.290 nan 0.000 0.519 421 A N 0.616 123.056 122.820 -0.633 0.000 1.873 421 A HA -0.053 4.267 4.320 -0.001 0.000 0.218 421 A C 2.176 179.746 177.584 -0.023 0.000 1.193 421 A CA 2.758 54.410 52.037 -0.642 0.000 0.629 421 A CB -0.613 18.300 19.000 -0.145 0.000 0.826 421 A HN 0.723 nan 8.150 nan 0.000 0.447 422 R N -0.380 120.130 120.500 0.016 0.000 2.096 422 R HA -0.173 4.166 4.340 -0.001 0.000 0.235 422 R C 2.183 178.520 176.300 0.061 0.000 1.127 422 R CA 1.745 57.898 56.100 0.088 0.000 0.968 422 R CB -0.277 30.052 30.300 0.047 0.000 0.861 422 R HN 0.729 nan 8.270 nan 0.000 0.440 423 E N -0.759 119.447 120.200 0.010 0.000 2.118 423 E HA -0.267 4.083 4.350 -0.001 0.000 0.195 423 E C 1.626 178.235 176.600 0.014 0.000 0.992 423 E CA 1.474 57.877 56.400 0.005 0.000 0.804 423 E CB -0.226 29.474 29.700 0.000 0.000 0.741 423 E HN 0.512 nan 8.360 nan 0.000 0.458 424 Y N -0.860 119.370 120.300 -0.117 0.000 2.286 424 Y HA -0.073 4.477 4.550 -0.001 0.000 0.293 424 Y C 1.391 177.147 175.900 -0.240 0.000 1.124 424 Y CA 1.453 59.454 58.100 -0.164 0.000 1.178 424 Y CB -0.039 38.325 38.460 -0.161 0.000 1.010 424 Y HN 0.045 nan 8.280 nan 0.000 0.536 425 F N -0.592 119.356 119.950 -0.005 0.000 2.387 425 F HA 0.141 4.668 4.527 -0.001 0.000 0.294 425 F C 2.466 178.179 175.800 -0.146 0.000 1.093 425 F CA 0.727 58.690 58.000 -0.061 0.000 1.420 425 F CB -0.843 38.254 39.000 0.160 0.000 1.086 425 F HN 0.102 nan 8.300 nan 0.000 0.531 426 A N 1.114 123.949 122.820 0.025 0.000 1.892 426 A HA -0.174 4.145 4.320 -0.001 0.000 0.218 426 A C -0.279 177.227 177.584 -0.130 0.000 1.188 426 A CA 1.895 53.887 52.037 -0.074 0.000 0.631 426 A CB -2.056 16.911 19.000 -0.055 0.000 0.822 426 A HN 0.208 nan 8.150 nan 0.000 0.447 427 P HA -0.035 nan 4.420 nan 0.000 0.223 427 P C 1.331 178.516 177.300 -0.193 0.000 1.151 427 P CA 0.658 63.661 63.100 -0.162 0.000 0.787 427 P CB -0.085 31.515 31.700 -0.167 0.000 0.788 428 L N -0.963 120.114 121.223 -0.244 0.000 2.068 428 L HA -0.031 4.309 4.340 -0.001 0.000 0.204 428 L C 2.556 179.343 176.870 -0.138 0.000 1.076 428 L CA 1.236 55.931 54.840 -0.241 0.000 0.753 428 L CB -1.290 40.534 42.059 -0.392 0.000 0.910 428 L HN -0.075 nan 8.230 nan 0.000 0.439 429 A N 0.303 123.041 122.820 -0.136 0.000 1.884 429 A HA -0.298 4.022 4.320 -0.001 0.000 0.219 429 A C 2.158 179.637 177.584 -0.176 0.000 1.197 429 A CA 2.178 54.074 52.037 -0.235 0.000 0.637 429 A CB -0.662 17.993 19.000 -0.575 0.000 0.827 429 A HN 0.447 nan 8.150 nan 0.000 0.450 430 E N -0.733 119.368 120.200 -0.164 0.000 2.038 430 E HA -0.159 4.191 4.350 -0.001 0.000 0.195 430 E C 2.410 178.945 176.600 -0.108 0.000 1.000 430 E CA 1.064 57.389 56.400 -0.125 0.000 0.803 430 E CB -0.320 29.313 29.700 -0.112 0.000 0.750 430 E HN 0.621 nan 8.360 nan 0.000 0.448 431 A N 0.713 123.464 122.820 -0.115 0.000 1.908 431 A HA -0.219 4.101 4.320 -0.001 0.000 0.218 431 A C 2.384 179.901 177.584 -0.111 0.000 1.181 431 A CA 2.174 54.146 52.037 -0.109 0.000 0.627 431 A CB -1.005 17.925 19.000 -0.116 0.000 0.818 431 A HN 0.240 nan 8.150 nan 0.000 0.445 432 T N -0.240 114.249 114.554 -0.108 0.000 2.746 432 T HA -0.161 4.189 4.350 -0.001 0.000 0.267 432 T C 2.018 176.661 174.700 -0.095 0.000 1.039 432 T CA 1.629 63.658 62.100 -0.118 0.000 1.142 432 T CB -0.257 68.576 68.868 -0.059 0.000 0.866 432 T HN 0.556 nan 8.240 nan 0.000 0.444 433 R N 0.912 121.377 120.500 -0.059 0.000 2.081 433 R HA 0.008 4.348 4.340 -0.001 0.000 0.235 433 R C 2.597 178.867 176.300 -0.051 0.000 1.131 433 R CA 0.902 56.984 56.100 -0.030 0.000 0.960 433 R CB -0.095 30.183 30.300 -0.036 0.000 0.856 433 R HN 0.267 nan 8.270 nan 0.000 0.436 434 K N 0.889 121.244 120.400 -0.074 0.000 2.057 434 K HA -0.111 4.209 4.320 -0.001 0.000 0.207 434 K C 2.173 178.711 176.600 -0.104 0.000 1.049 434 K CA 1.103 57.342 56.287 -0.081 0.000 0.931 434 K CB -0.293 32.158 32.500 -0.082 0.000 0.714 434 K HN 0.240 nan 8.250 nan 0.000 0.440 435 L N 0.452 121.599 121.223 -0.127 0.000 2.046 435 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 435 L C 0.523 177.297 176.870 -0.160 0.000 1.077 435 L CA 0.989 55.729 54.840 -0.168 0.000 0.747 435 L CB -0.194 41.737 42.059 -0.214 0.000 0.896 435 L HN 0.171 nan 8.230 nan 0.000 0.432 436 D N -1.571 118.765 120.400 -0.107 0.000 2.602 436 D HA 0.188 4.828 4.640 -0.001 0.000 0.245 436 D C -2.165 174.164 176.300 0.048 0.000 1.325 436 D CA -1.541 52.458 54.000 -0.003 0.000 0.952 436 D CB 1.824 42.704 40.800 0.133 0.000 1.317 436 D HN -0.226 nan 8.370 nan 0.000 0.577 437 P HA 0.064 nan 4.420 nan 0.000 0.255 437 P C 0.932 178.242 177.300 0.016 0.000 1.248 437 P CA 0.213 63.317 63.100 0.007 0.000 0.807 437 P CB 0.562 32.250 31.700 -0.021 0.000 1.150 438 T N -0.924 113.647 114.554 0.028 0.000 3.081 438 T HA 0.172 4.521 4.350 -0.001 0.000 0.250 438 T C 0.599 175.280 174.700 -0.031 0.000 1.100 438 T CA 0.115 62.203 62.100 -0.020 0.000 1.038 438 T CB -0.085 68.746 68.868 -0.062 0.000 0.962 438 T HN 0.048 nan 8.240 nan 0.000 0.516 439 R N 1.329 121.851 120.500 0.037 0.000 2.686 439 R HA 0.516 4.856 4.340 -0.001 0.000 0.283 439 R C -2.861 173.467 176.300 0.046 0.000 0.978 439 R CA -2.063 54.017 56.100 -0.033 0.000 0.897 439 R CB 1.452 31.618 30.300 -0.222 0.000 1.192 439 R HN 0.062 nan 8.270 nan 0.000 0.457 440 P HA 0.022 nan 4.420 nan 0.000 0.270 440 P C -0.726 176.665 177.300 0.152 0.000 1.221 440 P CA -0.053 63.096 63.100 0.082 0.000 0.788 440 P CB 0.620 32.392 31.700 0.120 0.000 0.904 441 I N -0.768 119.917 120.570 0.192 0.000 2.769 441 I HA 0.582 4.752 4.170 -0.001 0.000 0.298 441 I C -0.929 175.354 176.117 0.276 0.000 1.128 441 I CA -0.372 61.095 61.300 0.280 0.000 1.031 441 I CB 2.386 40.565 38.000 0.299 0.000 1.235 441 I HN 0.314 nan 8.210 nan 0.000 0.423 442 T N 4.936 119.598 114.554 0.181 0.000 2.762 442 T HA 0.473 4.823 4.350 -0.001 0.000 0.301 442 T C -2.084 172.297 174.700 -0.532 0.000 1.299 442 T CA -0.399 61.621 62.100 -0.133 0.000 1.005 442 T CB 1.433 70.199 68.868 -0.171 0.000 1.377 442 T HN 0.749 nan 8.240 nan 0.000 0.504 443 C N 3.113 121.873 119.300 -0.900 0.000 2.599 443 C HA 0.720 5.179 4.460 -0.001 0.000 0.354 443 C C -0.753 173.903 174.990 -0.557 0.000 1.092 443 C CA -0.432 58.083 59.018 -0.839 0.000 1.280 443 C CB -0.273 26.599 27.740 -1.448 0.000 1.829 443 C HN 0.786 nan 8.230 nan 0.000 0.454 444 V N 5.965 125.665 119.914 -0.356 0.000 2.572 444 V HA 0.214 4.333 4.120 -0.001 0.000 0.291 444 V C 0.420 176.346 176.094 -0.279 0.000 1.039 444 V CA 0.243 62.370 62.300 -0.289 0.000 1.055 444 V CB 1.034 32.742 31.823 -0.191 0.000 0.969 444 V HN 0.889 nan 8.190 nan 0.000 0.482 445 N N 3.579 122.107 118.700 -0.286 0.000 2.421 445 N HA 0.465 5.205 4.740 -0.001 0.000 0.285 445 N C -0.613 174.779 175.510 -0.197 0.000 1.027 445 N CA -0.415 52.480 53.050 -0.259 0.000 0.918 445 N CB 1.836 40.124 38.487 -0.331 0.000 1.152 445 N HN 0.489 nan 8.380 nan 0.000 0.485 449 C N 4.402 123.775 119.300 0.122 0.000 2.295 449 C HA 0.733 5.193 4.460 -0.001 0.000 0.331 449 C C -0.200 174.934 174.990 0.239 0.000 1.280 449 C CA -0.233 58.906 59.018 0.202 0.000 1.746 449 C CB 0.239 28.042 27.740 0.105 0.000 2.328 449 C HN 0.586 nan 8.230 nan 0.000 0.521 450 D N 1.968 122.506 120.400 0.230 0.000 2.636 450 D HA 0.383 5.023 4.640 -0.001 0.000 0.275 450 D C 0.552 176.685 176.300 -0.278 0.000 1.130 450 D CA -0.556 53.544 54.000 0.166 0.000 1.031 450 D CB 1.408 42.294 40.800 0.142 0.000 1.451 450 D HN 0.356 nan 8.370 nan 0.000 0.505 451 A N -0.312 121.917 122.820 -0.986 0.000 2.024 451 A HA -0.209 4.111 4.320 -0.001 0.000 0.220 451 A C 1.488 178.457 177.584 -1.025 0.000 1.164 451 A CA 1.669 52.619 52.037 -1.812 0.000 0.643 451 A CB -1.122 16.785 19.000 -1.822 0.000 0.806 451 A HN 0.660 nan 8.150 nan 0.000 0.451 452 H N -1.782 117.085 119.070 -0.338 0.000 2.562 452 H HA 0.078 4.633 4.556 -0.001 0.000 0.267 452 H C 2.222 177.502 175.328 -0.080 0.000 0.959 452 H CA 1.307 57.251 56.048 -0.173 0.000 1.204 452 H CB 0.298 29.991 29.762 -0.114 0.000 1.430 452 H HN 0.626 nan 8.280 nan 0.000 0.545 453 T N -2.481 112.095 114.554 0.037 0.000 2.990 453 T HA -0.007 4.343 4.350 -0.001 0.000 0.250 453 T C 0.634 175.395 174.700 0.102 0.000 1.041 453 T CA -0.177 61.978 62.100 0.091 0.000 1.010 453 T CB -0.071 68.880 68.868 0.138 0.000 1.003 453 T HN 0.109 nan 8.240 nan 0.000 0.499 454 D N 2.654 123.115 120.400 0.102 0.000 2.424 454 D HA 0.165 4.805 4.640 -0.001 0.000 0.244 454 D C 1.170 177.552 176.300 0.136 0.000 1.134 454 D CA 0.635 54.739 54.000 0.173 0.000 0.881 454 D CB 1.320 42.333 40.800 0.356 0.000 1.191 454 D HN 0.350 nan 8.370 nan 0.000 0.445 455 T N 1.110 115.738 114.554 0.123 0.000 3.134 455 T HA 0.198 4.547 4.350 -0.001 0.000 0.260 455 T C 1.037 175.799 174.700 0.103 0.000 1.027 455 T CA -0.342 61.818 62.100 0.100 0.000 0.913 455 T CB 0.054 68.971 68.868 0.082 0.000 1.046 455 T HN 0.375 nan 8.240 nan 0.000 0.553 456 I N 0.172 120.814 120.570 0.120 0.000 4.624 456 I HA 0.270 4.440 4.170 -0.001 0.000 0.327 456 I C 1.848 178.091 176.117 0.210 0.000 1.295 456 I CA 0.015 61.397 61.300 0.136 0.000 1.267 456 I CB -0.258 37.783 38.000 0.068 0.000 1.249 456 I HN 0.153 nan 8.210 nan 0.000 0.440 457 S N 1.811 117.625 115.700 0.190 0.000 2.481 457 S HA -0.119 4.351 4.470 -0.001 0.000 0.231 457 S C 1.583 176.307 174.600 0.205 0.000 0.996 457 S CA 1.213 59.531 58.200 0.196 0.000 0.942 457 S CB -0.264 62.983 63.200 0.079 0.000 0.768 457 S HN 0.563 nan 8.310 nan 0.000 0.520 458 D N 2.023 122.515 120.400 0.155 0.000 2.218 458 D HA -0.125 4.515 4.640 -0.001 0.000 0.204 458 D C 1.512 177.837 176.300 0.042 0.000 0.976 458 D CA 0.713 54.773 54.000 0.099 0.000 0.853 458 D CB -0.446 40.400 40.800 0.075 0.000 0.939 458 D HN 0.389 nan 8.370 nan 0.000 0.481 459 L N -1.177 120.042 121.223 -0.007 0.000 2.551 459 L HA 0.109 4.449 4.340 -0.001 0.000 0.228 459 L C 0.488 177.079 176.870 -0.466 0.000 1.153 459 L CA 0.322 55.010 54.840 -0.253 0.000 0.851 459 L CB -0.339 41.474 42.059 -0.411 0.000 0.959 459 L HN -0.126 nan 8.230 nan 0.000 0.451 460 F N -1.499 118.442 119.950 -0.015 0.000 2.639 460 F HA 0.285 4.813 4.527 0.000 0.000 0.339 460 F C 1.107 176.899 175.800 -0.012 0.000 1.071 460 F CA -0.910 57.080 58.000 -0.017 0.000 0.994 460 F CB 0.803 39.777 39.000 -0.043 0.000 1.341 460 F HN -0.267 nan 8.300 nan 0.000 0.498 461 D N -0.120 120.408 120.400 0.214 0.000 2.262 461 D HA 0.103 4.743 4.640 -0.001 0.000 0.212 461 D C -0.066 176.292 176.300 0.097 0.000 0.964 461 D CA 1.230 55.301 54.000 0.117 0.000 0.875 461 D CB 0.663 41.524 40.800 0.101 0.000 0.996 461 D HN -0.003 nan 8.370 nan 0.000 0.497 462 V N 1.574 121.537 119.914 0.081 0.000 2.604 462 V HA 0.255 4.374 4.120 -0.001 0.000 0.305 462 V C -0.568 175.465 176.094 -0.101 0.000 1.043 462 V CA -0.976 61.333 62.300 0.014 0.000 0.888 462 V CB 2.732 34.579 31.823 0.040 0.000 0.995 462 V HN -0.072 nan 8.190 nan 0.000 0.429 463 L N 5.029 126.155 121.223 -0.162 0.000 2.261 463 L HA 0.499 4.839 4.340 -0.001 0.000 0.289 463 L C -0.407 176.244 176.870 -0.364 0.000 1.059 463 L CA 0.415 55.070 54.840 -0.307 0.000 0.816 463 L CB 0.294 42.139 42.059 -0.358 0.000 1.191 463 L HN 0.781 nan 8.230 nan 0.000 0.431 464 C N 6.317 125.385 119.300 -0.388 0.000 2.281 464 C HA 0.571 5.031 4.460 -0.001 0.000 0.323 464 C C -0.060 174.708 174.990 -0.369 0.000 1.270 464 C CA -1.001 57.797 59.018 -0.367 0.000 1.559 464 C CB 0.074 27.616 27.740 -0.330 0.000 2.239 464 C HN 0.671 nan 8.230 nan 0.000 0.488 465 L N 4.153 125.177 121.223 -0.333 0.000 2.322 465 L HA 0.457 4.796 4.340 -0.001 0.000 0.281 465 L C -0.454 176.319 176.870 -0.162 0.000 1.014 465 L CA -0.347 54.329 54.840 -0.273 0.000 0.815 465 L CB 0.995 42.891 42.059 -0.271 0.000 1.247 465 L HN 0.561 nan 8.230 nan 0.000 0.421 466 N N 3.704 122.325 118.700 -0.132 0.000 2.437 466 N HA 0.346 5.085 4.740 -0.001 0.000 0.243 466 N C -0.733 174.717 175.510 -0.100 0.000 1.041 466 N CA -0.459 52.531 53.050 -0.100 0.000 0.940 466 N CB 0.880 39.334 38.487 -0.055 0.000 1.133 466 N HN 0.333 nan 8.380 nan 0.000 0.506 467 R N 1.793 122.179 120.500 -0.190 0.000 2.599 467 R HA 0.337 4.676 4.340 -0.001 0.000 0.295 467 R C -0.431 175.735 176.300 -0.223 0.000 0.963 467 R CA -0.477 55.553 56.100 -0.118 0.000 0.883 467 R CB 0.957 31.345 30.300 0.146 0.000 1.171 467 R HN 0.559 nan 8.270 nan 0.000 0.450 468 Y N 0.297 120.722 120.300 0.208 0.000 2.738 468 Y HA 0.265 4.814 4.550 -0.001 0.000 0.249 468 Y C -0.248 175.978 175.900 0.543 0.000 1.157 468 Y CA -0.647 57.722 58.100 0.448 0.000 1.189 468 Y CB 0.188 38.934 38.460 0.476 0.000 1.262 468 Y HN 0.482 nan 8.280 nan 0.000 0.554 469 Y N 0.864 121.616 120.300 0.753 0.000 2.865 469 Y HA 0.217 4.767 4.550 -0.000 0.000 0.338 469 Y C 1.544 177.917 175.900 0.788 0.000 1.269 469 Y CA 1.280 59.743 58.100 0.605 0.000 1.585 469 Y CB -0.092 38.594 38.460 0.378 0.000 1.224 469 Y HN 0.423 nan 8.280 nan 0.000 0.554 470 G N 2.413 111.687 108.800 0.791 0.000 2.307 470 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.210 470 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.210 470 G C 0.694 175.989 174.900 0.659 0.000 1.005 470 G CA 0.129 45.719 45.100 0.816 0.000 0.634 470 G HN 0.716 nan 8.290 nan 0.000 0.496 471 W N -0.239 121.252 121.300 0.318 0.000 2.866 471 W HA 0.413 5.070 4.660 -0.006 0.000 0.258 471 W C 1.393 177.813 176.519 -0.166 0.000 1.183 471 W CA 0.973 58.268 57.345 -0.083 0.000 1.451 471 W CB 0.610 29.806 29.460 -0.439 0.000 0.959 471 W HN 0.291 nan 8.180 nan 0.000 0.622 472 Y N -0.467 119.972 120.300 0.232 0.000 2.444 472 Y HA 0.257 4.807 4.550 0.000 0.000 0.252 472 Y C 0.220 176.187 175.900 0.111 0.000 1.091 472 Y CA 0.206 58.361 58.100 0.091 0.000 1.276 472 Y CB 1.201 39.762 38.460 0.170 0.000 1.170 472 Y HN -0.480 nan 8.280 nan 0.000 0.517 473 V N -0.025 120.089 119.914 0.334 0.000 3.048 473 V HA 0.143 4.263 4.120 -0.001 0.000 0.303 473 V C -0.948 175.341 176.094 0.326 0.000 1.214 473 V CA -1.186 61.303 62.300 0.314 0.000 0.984 473 V CB 2.030 34.082 31.823 0.382 0.000 1.054 473 V HN 0.218 nan 8.190 nan 0.000 0.430 474 Q N 1.112 121.065 119.800 0.254 0.000 2.434 474 Q HA -0.162 4.177 4.340 -0.001 0.000 0.299 474 Q C 0.329 176.454 176.000 0.209 0.000 1.286 474 Q CA 1.001 56.940 55.803 0.227 0.000 0.872 474 Q CB -1.455 27.449 28.738 0.277 0.000 1.193 474 Q HN 0.740 nan 8.270 nan 0.000 0.466 475 S N 0.043 115.815 115.700 0.121 0.000 2.555 475 S HA 0.335 4.805 4.470 -0.001 0.000 0.293 475 S C 1.568 176.195 174.600 0.045 0.000 1.248 475 S CA 0.430 58.644 58.200 0.023 0.000 1.096 475 S CB 0.786 63.913 63.200 -0.121 0.000 0.881 475 S HN 1.002 nan 8.310 nan 0.000 0.498 476 G N 2.611 111.479 108.800 0.113 0.000 2.175 476 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.244 476 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.244 476 G C -0.233 174.835 174.900 0.280 0.000 0.982 476 G CA 0.079 45.239 45.100 0.100 0.000 0.641 476 G HN 0.703 nan 8.290 nan 0.000 0.527 477 D N 0.613 121.185 120.400 0.287 0.000 2.473 477 D HA 0.536 5.176 4.640 -0.001 0.000 0.226 477 D C 1.494 177.954 176.300 0.266 0.000 1.089 477 D CA -0.690 53.452 54.000 0.237 0.000 0.883 477 D CB 0.698 41.600 40.800 0.169 0.000 1.029 477 D HN -0.036 nan 8.370 nan 0.000 0.517 478 L N 3.002 124.383 121.223 0.262 0.000 2.072 478 L HA 0.013 4.353 4.340 -0.001 0.000 0.205 478 L C 2.230 179.162 176.870 0.103 0.000 1.079 478 L CA 1.250 56.210 54.840 0.200 0.000 0.752 478 L CB -0.550 41.602 42.059 0.156 0.000 0.906 478 L HN 0.518 nan 8.230 nan 0.000 0.436 479 E N -0.934 119.321 120.200 0.091 0.000 2.065 479 E HA -0.316 4.033 4.350 -0.001 0.000 0.201 479 E C 2.090 178.713 176.600 0.039 0.000 1.016 479 E CA 2.187 58.618 56.400 0.051 0.000 0.818 479 E CB -0.015 29.720 29.700 0.058 0.000 0.749 479 E HN 0.499 nan 8.360 nan 0.000 0.453 480 T N -1.324 113.270 114.554 0.066 0.000 3.009 480 T HA 0.142 4.492 4.350 -0.001 0.000 0.258 480 T C 1.860 176.589 174.700 0.048 0.000 1.063 480 T CA 1.062 63.191 62.100 0.049 0.000 1.139 480 T CB -0.090 68.812 68.868 0.056 0.000 0.890 480 T HN 0.232 nan 8.240 nan 0.000 0.471 481 A N 1.612 124.503 122.820 0.118 0.000 1.917 481 A HA -0.182 4.137 4.320 -0.001 0.000 0.219 481 A C 2.262 179.831 177.584 -0.025 0.000 1.182 481 A CA 2.263 54.388 52.037 0.147 0.000 0.633 481 A CB -1.013 18.179 19.000 0.321 0.000 0.819 481 A HN 0.790 nan 8.150 nan 0.000 0.448 482 E N -0.262 119.903 120.200 -0.058 0.000 2.106 482 E HA -0.195 4.154 4.350 -0.001 0.000 0.192 482 E C 1.933 178.443 176.600 -0.150 0.000 0.984 482 E CA 1.306 57.615 56.400 -0.152 0.000 0.806 482 E CB -0.103 29.525 29.700 -0.120 0.000 0.750 482 E HN 0.652 nan 8.360 nan 0.000 0.458 483 K N -0.004 120.334 120.400 -0.104 0.000 2.057 483 K HA -0.077 4.242 4.320 -0.001 0.000 0.206 483 K C 2.137 178.650 176.600 -0.145 0.000 1.050 483 K CA 1.243 57.472 56.287 -0.098 0.000 0.935 483 K CB 0.115 32.580 32.500 -0.059 0.000 0.715 483 K HN 0.045 nan 8.250 nan 0.000 0.439 484 V N 1.591 121.382 119.914 -0.205 0.000 2.379 484 V HA -0.204 3.916 4.120 -0.001 0.000 0.245 484 V C 2.143 177.940 176.094 -0.495 0.000 1.044 484 V CA 1.149 63.242 62.300 -0.345 0.000 1.036 484 V CB -0.340 31.229 31.823 -0.422 0.000 0.664 484 V HN 0.235 nan 8.190 nan 0.000 0.453 485 L N 0.629 121.566 121.223 -0.476 0.000 2.012 485 L HA -0.204 4.136 4.340 -0.001 0.000 0.210 485 L C 2.431 179.204 176.870 -0.161 0.000 1.073 485 L CA 2.486 57.136 54.840 -0.316 0.000 0.748 485 L CB -0.743 41.109 42.059 -0.345 0.000 0.891 485 L HN 0.462 nan 8.230 nan 0.000 0.431 486 E N -0.669 119.437 120.200 -0.158 0.000 2.072 486 E HA -0.288 4.061 4.350 -0.001 0.000 0.191 486 E C 2.289 178.858 176.600 -0.052 0.000 0.985 486 E CA 1.308 57.658 56.400 -0.084 0.000 0.801 486 E CB -0.154 29.496 29.700 -0.085 0.000 0.750 486 E HN 0.507 nan 8.360 nan 0.000 0.452 487 K N 0.479 120.834 120.400 -0.076 0.000 2.097 487 K HA -0.243 4.077 4.320 -0.001 0.000 0.206 487 K C 2.092 178.669 176.600 -0.037 0.000 1.049 487 K CA 1.727 57.984 56.287 -0.050 0.000 0.933 487 K CB -0.024 32.440 32.500 -0.060 0.000 0.717 487 K HN 0.029 nan 8.250 nan 0.000 0.442 488 E N 0.733 120.907 120.200 -0.043 0.000 2.072 488 E HA -0.125 4.225 4.350 -0.001 0.000 0.190 488 E C 1.940 178.600 176.600 0.101 0.000 0.982 488 E CA 1.036 57.436 56.400 0.000 0.000 0.803 488 E CB -0.175 29.576 29.700 0.086 0.000 0.755 488 E HN 0.330 nan 8.360 nan 0.000 0.453 489 L N 0.302 121.610 121.223 0.141 0.000 2.046 489 L HA -0.170 4.170 4.340 -0.001 0.000 0.208 489 L C 2.566 179.509 176.870 0.122 0.000 1.077 489 L CA 0.988 55.938 54.840 0.183 0.000 0.747 489 L CB -0.448 41.677 42.059 0.111 0.000 0.896 489 L HN 0.261 nan 8.230 nan 0.000 0.432 490 L N -0.501 120.752 121.223 0.050 0.000 2.046 490 L HA -0.192 4.148 4.340 -0.001 0.000 0.208 490 L C 2.903 179.769 176.870 -0.008 0.000 1.077 490 L CA 1.081 55.936 54.840 0.024 0.000 0.747 490 L CB -0.713 41.351 42.059 0.008 0.000 0.896 490 L HN 0.242 nan 8.230 nan 0.000 0.432 491 A N -0.417 122.368 122.820 -0.058 0.000 1.908 491 A HA -0.256 4.063 4.320 -0.001 0.000 0.218 491 A C 1.952 179.421 177.584 -0.193 0.000 1.181 491 A CA 1.724 53.656 52.037 -0.174 0.000 0.627 491 A CB -1.043 17.753 19.000 -0.340 0.000 0.818 491 A HN 0.535 nan 8.150 nan 0.000 0.445 492 W N -0.340 120.886 121.300 -0.124 0.000 2.363 492 W HA -0.155 4.505 4.660 -0.001 0.000 0.296 492 W C 2.685 179.114 176.519 -0.150 0.000 1.212 492 W CA 1.311 58.579 57.345 -0.128 0.000 1.260 492 W CB -0.126 29.276 29.460 -0.096 0.000 1.131 492 W HN 0.550 nan 8.180 nan 0.000 0.530 493 Q N 1.287 121.146 119.800 0.098 0.000 2.084 493 Q HA -0.288 4.051 4.340 -0.001 0.000 0.202 493 Q C 2.124 177.973 176.000 -0.251 0.000 0.978 493 Q CA 2.182 57.975 55.803 -0.016 0.000 0.844 493 Q CB -0.368 28.384 28.738 0.024 0.000 0.898 493 Q HN 0.520 nan 8.270 nan 0.000 0.426 494 E N 0.252 120.327 120.200 -0.208 0.000 2.107 494 E HA -0.213 4.137 4.350 -0.001 0.000 0.191 494 E C 2.032 178.389 176.600 -0.405 0.000 0.982 494 E CA 1.030 57.247 56.400 -0.305 0.000 0.809 494 E CB -0.210 29.444 29.700 -0.077 0.000 0.756 494 E HN 0.260 nan 8.360 nan 0.000 0.459 495 K N 0.417 120.680 120.400 -0.228 0.000 2.026 495 K HA -0.115 4.204 4.320 -0.001 0.000 0.208 495 K C 1.893 178.426 176.600 -0.112 0.000 1.048 495 K CA 1.749 57.955 56.287 -0.135 0.000 0.929 495 K CB 0.055 32.488 32.500 -0.112 0.000 0.713 495 K HN 0.282 nan 8.250 nan 0.000 0.439 496 L N -1.699 119.454 121.223 -0.117 0.000 2.717 496 L HA 0.133 4.473 4.340 -0.001 0.000 0.239 496 L C -0.130 176.772 176.870 0.053 0.000 1.086 496 L CA -0.235 54.617 54.840 0.019 0.000 0.897 496 L CB 0.284 42.414 42.059 0.118 0.000 1.214 496 L HN 0.281 nan 8.230 nan 0.000 0.508 497 H N 0.495 119.613 119.070 0.081 0.000 2.741 497 H HA -0.189 4.367 4.556 -0.000 0.000 0.305 497 H C 0.239 175.598 175.328 0.053 0.000 1.169 497 H CA 0.595 56.679 56.048 0.060 0.000 1.144 497 H CB -1.580 28.210 29.762 0.047 0.000 1.397 497 H HN 0.532 nan 8.280 nan 0.000 0.409 498 Q N 0.137 120.003 119.800 0.110 0.000 2.195 498 Q HA 0.404 4.744 4.340 -0.001 0.000 0.250 498 Q C -2.230 173.806 176.000 0.059 0.000 0.988 498 Q CA -1.835 54.016 55.803 0.080 0.000 0.911 498 Q CB 1.205 29.971 28.738 0.047 0.000 1.258 498 Q HN 0.064 nan 8.270 nan 0.000 0.475 499 P HA 0.139 nan 4.420 nan 0.000 0.275 499 P C -0.986 176.290 177.300 -0.040 0.000 1.227 499 P CA 0.333 63.465 63.100 0.053 0.000 0.781 499 P CB 0.481 32.267 31.700 0.142 0.000 0.906 500 I N 3.926 124.445 120.570 -0.085 0.000 2.362 500 I HA 0.400 4.570 4.170 -0.001 0.000 0.289 500 I C 0.108 176.060 176.117 -0.275 0.000 0.994 500 I CA -0.583 60.602 61.300 -0.191 0.000 1.158 500 I CB 1.093 38.991 38.000 -0.170 0.000 1.315 500 I HN 0.091 nan 8.210 nan 0.000 0.451 501 I N 6.823 127.177 120.570 -0.359 0.000 2.378 501 I HA 0.347 4.517 4.170 -0.001 0.000 0.291 501 I C -0.498 175.367 176.117 -0.420 0.000 0.992 501 I CA -0.796 60.228 61.300 -0.461 0.000 1.154 501 I CB 1.970 39.605 38.000 -0.608 0.000 1.315 501 I HN 0.364 nan 8.210 nan 0.000 0.448 502 I N 5.431 125.721 120.570 -0.466 0.000 2.337 502 I HA 0.077 4.246 4.170 -0.001 0.000 0.291 502 I C 1.394 177.416 176.117 -0.160 0.000 1.046 502 I CA 0.345 61.443 61.300 -0.336 0.000 1.324 502 I CB 1.146 38.874 38.000 -0.455 0.000 1.409 502 I HN 0.643 nan 8.210 nan 0.000 0.494 503 T N 1.158 115.650 114.554 -0.103 0.000 3.022 503 T HA 0.320 4.670 4.350 -0.001 0.000 0.250 503 T C 0.497 175.271 174.700 0.124 0.000 1.060 503 T CA -0.051 62.026 62.100 -0.040 0.000 1.013 503 T CB -0.011 68.773 68.868 -0.139 0.000 0.982 503 T HN 0.511 nan 8.240 nan 0.000 0.508 504 E N 0.733 121.015 120.200 0.136 0.000 2.274 504 E HA 0.500 4.850 4.350 -0.001 0.000 0.269 504 E C -1.872 174.868 176.600 0.234 0.000 0.891 504 E CA -1.084 55.452 56.400 0.226 0.000 0.784 504 E CB 2.111 31.791 29.700 -0.032 0.000 1.225 504 E HN 0.631 nan 8.360 nan 0.000 0.412 505 Y N -0.046 120.336 120.300 0.137 0.000 2.442 505 Y HA 0.794 5.345 4.550 0.002 0.000 0.330 505 Y C -0.341 175.752 175.900 0.322 0.000 1.100 505 Y CA -0.960 57.190 58.100 0.084 0.000 1.034 505 Y CB 1.914 40.399 38.460 0.041 0.000 1.285 505 Y HN 0.598 nan 8.280 nan 0.000 0.440 506 G N 1.192 110.082 108.800 0.150 0.000 2.368 506 G HA2 0.524 4.484 3.960 -0.001 0.000 0.293 506 G HA3 0.524 4.484 3.960 -0.001 0.000 0.293 506 G C -1.933 172.419 174.900 -0.912 0.000 1.467 506 G CA -0.299 44.644 45.100 -0.261 0.000 0.804 506 G HN 1.503 nan 8.290 nan 0.000 0.535 507 V N -2.100 117.185 119.914 -1.048 0.000 3.007 507 V HA 0.776 4.896 4.120 -0.001 0.000 0.311 507 V C -0.830 174.453 176.094 -1.351 0.000 1.120 507 V CA -1.330 59.985 62.300 -1.642 0.000 0.980 507 V CB 1.939 32.759 31.823 -1.672 0.000 1.033 507 V HN 0.657 nan 8.190 nan 0.000 0.429 508 D N 1.936 121.212 120.400 -1.873 0.000 2.425 508 D HA 0.509 5.149 4.640 -0.001 0.000 0.247 508 D C -0.103 175.784 176.300 -0.689 0.000 1.147 508 D CA 0.798 54.176 54.000 -1.037 0.000 0.879 508 D CB 0.948 41.150 40.800 -0.996 0.000 1.179 508 D HN 0.845 nan 8.370 nan 0.000 0.456 509 T N 2.666 117.042 114.554 -0.296 0.000 2.965 509 T HA 0.243 4.592 4.350 -0.001 0.000 0.306 509 T C -0.126 174.570 174.700 -0.006 0.000 0.991 509 T CA -0.680 61.349 62.100 -0.117 0.000 1.001 509 T CB 0.606 69.369 68.868 -0.174 0.000 0.984 509 T HN 0.182 nan 8.240 nan 0.000 0.446 510 L N 3.148 124.436 121.223 0.109 0.000 2.385 510 L HA 0.432 4.772 4.340 -0.001 0.000 0.281 510 L C 1.096 177.952 176.870 -0.023 0.000 1.106 510 L CA -0.675 54.205 54.840 0.066 0.000 0.856 510 L CB 0.428 42.547 42.059 0.099 0.000 1.186 510 L HN 0.800 nan 8.230 nan 0.000 0.453 511 A N 3.247 126.037 122.820 -0.050 0.000 2.584 511 A HA 0.340 4.659 4.320 -0.001 0.000 0.239 511 A C 1.318 178.845 177.584 -0.096 0.000 1.043 511 A CA 0.822 52.811 52.037 -0.080 0.000 0.756 511 A CB -0.071 18.895 19.000 -0.057 0.000 0.963 511 A HN 1.175 nan 8.150 nan 0.000 0.511 512 G N 1.007 109.693 108.800 -0.189 0.000 2.199 512 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.254 512 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.254 512 G C 0.245 174.997 174.900 -0.246 0.000 0.982 512 G CA 0.246 45.228 45.100 -0.196 0.000 0.632 512 G HN 1.114 nan 8.290 nan 0.000 0.529 513 L N 2.402 123.494 121.223 -0.218 0.000 2.278 513 L HA 0.465 4.804 4.340 -0.001 0.000 0.287 513 L C -0.156 176.614 176.870 -0.168 0.000 1.072 513 L CA -0.451 54.331 54.840 -0.097 0.000 0.819 513 L CB 0.305 42.370 42.059 0.010 0.000 1.176 513 L HN 0.204 nan 8.230 nan 0.000 0.435 514 H N 2.873 121.982 119.070 0.065 0.000 2.569 514 H HA 0.558 5.112 4.556 -0.003 0.000 0.357 514 H C -0.726 174.641 175.328 0.065 0.000 1.153 514 H CA -0.341 55.743 56.048 0.059 0.000 1.193 514 H CB 2.374 32.158 29.762 0.036 0.000 1.602 514 H HN 0.594 nan 8.280 nan 0.000 0.523 518 T N 1.452 116.142 114.554 0.226 0.000 4.096 518 T HA -0.204 4.146 4.350 -0.001 0.000 0.343 518 T C -0.307 174.637 174.700 0.406 0.000 0.756 518 T CA 1.341 63.610 62.100 0.283 0.000 1.914 518 T CB -1.785 67.219 68.868 0.226 0.000 1.873 518 T HN 0.545 nan 8.240 nan 0.000 0.850 522 S N -0.772 115.071 115.700 0.238 0.000 2.687 522 S HA 0.411 4.881 4.470 -0.001 0.000 0.283 522 S C 0.985 175.647 174.600 0.103 0.000 1.170 522 S CA -0.320 57.970 58.200 0.150 0.000 1.008 522 S CB 2.153 65.453 63.200 0.165 0.000 1.026 522 S HN 0.203 nan 8.310 nan 0.000 0.541 523 E N 0.725 120.934 120.200 0.015 0.000 2.110 523 E HA -0.178 4.172 4.350 -0.001 0.000 0.193 523 E C 1.589 178.229 176.600 0.066 0.000 0.988 523 E CA 1.523 57.922 56.400 -0.003 0.000 0.804 523 E CB -0.170 29.492 29.700 -0.063 0.000 0.745 523 E HN 0.732 nan 8.360 nan 0.000 0.458 524 E N 0.125 120.400 120.200 0.124 0.000 2.110 524 E HA -0.192 4.157 4.350 -0.001 0.000 0.193 524 E C 1.652 178.339 176.600 0.145 0.000 0.988 524 E CA 0.833 57.313 56.400 0.132 0.000 0.804 524 E CB -0.324 29.464 29.700 0.147 0.000 0.745 524 E HN 0.322 nan 8.360 nan 0.000 0.458 525 Y N 1.289 121.633 120.300 0.073 0.000 2.163 525 Y HA -0.219 4.330 4.550 -0.002 0.000 0.288 525 Y C 2.433 178.370 175.900 0.061 0.000 1.136 525 Y CA 1.993 60.148 58.100 0.092 0.000 1.147 525 Y CB -0.171 38.350 38.460 0.101 0.000 0.987 525 Y HN 0.051 nan 8.280 nan 0.000 0.509 526 Q N -0.834 118.991 119.800 0.042 0.000 2.152 526 Q HA -0.253 4.086 4.340 -0.001 0.000 0.206 526 Q C 2.275 178.231 176.000 -0.073 0.000 0.985 526 Q CA 2.205 57.951 55.803 -0.095 0.000 0.863 526 Q CB -0.451 28.209 28.738 -0.131 0.000 0.904 526 Q HN 0.602 nan 8.270 nan 0.000 0.422 527 C N -0.334 118.942 119.300 -0.041 0.000 2.453 527 C HA -0.023 4.437 4.460 -0.001 0.000 0.277 527 C C 2.823 177.780 174.990 -0.057 0.000 1.262 527 C CA 0.818 59.813 59.018 -0.038 0.000 1.718 527 C CB -1.170 26.572 27.740 0.002 0.000 2.031 527 C HN 0.713 nan 8.230 nan 0.000 0.480 528 A N -1.222 121.558 122.820 -0.067 0.000 1.929 528 A HA -0.196 4.123 4.320 -0.001 0.000 0.216 528 A C 1.940 179.455 177.584 -0.115 0.000 1.176 528 A CA 1.306 53.294 52.037 -0.081 0.000 0.628 528 A CB -0.920 18.046 19.000 -0.058 0.000 0.816 528 A HN 0.768 nan 8.150 nan 0.000 0.444 529 W N 0.649 121.692 121.300 -0.427 0.000 2.355 529 W HA -0.140 4.522 4.660 0.004 0.000 0.309 529 W C 1.730 178.106 176.519 -0.239 0.000 1.206 529 W CA 1.916 59.038 57.345 -0.372 0.000 1.284 529 W CB -0.226 28.903 29.460 -0.551 0.000 1.145 529 W HN 0.246 nan 8.180 nan 0.000 0.502 530 L N -0.062 121.160 121.223 -0.002 0.000 2.131 530 L HA -0.151 4.189 4.340 -0.001 0.000 0.210 530 L C 1.661 178.149 176.870 -0.637 0.000 1.092 530 L CA 1.018 55.693 54.840 -0.275 0.000 0.759 530 L CB -0.971 40.944 42.059 -0.241 0.000 0.903 530 L HN -0.071 nan 8.230 nan 0.000 0.435 534 H N 0.365 119.073 119.070 -0.603 0.000 2.389 534 H HA -0.058 4.498 4.556 -0.001 0.000 0.299 534 H C 1.891 177.048 175.328 -0.284 0.000 1.081 534 H CA 1.315 57.110 56.048 -0.422 0.000 1.345 534 H CB 0.110 29.800 29.762 -0.120 0.000 1.393 534 H HN 0.179 nan 8.280 nan 0.000 0.520 535 R N 0.330 120.751 120.500 -0.132 0.000 2.081 535 R HA -0.114 4.225 4.340 -0.001 0.000 0.235 535 R C 2.371 178.606 176.300 -0.108 0.000 1.131 535 R CA 1.377 57.420 56.100 -0.096 0.000 0.960 535 R CB -0.201 30.039 30.300 -0.100 0.000 0.856 535 R HN 0.140 nan 8.270 nan 0.000 0.436 536 V N 0.567 120.356 119.914 -0.208 0.000 2.358 536 V HA -0.220 3.900 4.120 -0.001 0.000 0.246 536 V C 2.027 178.142 176.094 0.035 0.000 1.047 536 V CA 1.554 63.768 62.300 -0.144 0.000 1.035 536 V CB -0.573 31.094 31.823 -0.260 0.000 0.658 536 V HN 0.130 nan 8.190 nan 0.000 0.452 537 F N 0.909 120.820 119.950 -0.064 0.000 2.095 537 F HA -0.148 4.378 4.527 -0.001 0.000 0.298 537 F C 2.223 178.016 175.800 -0.011 0.000 1.104 537 F CA 1.184 59.171 58.000 -0.021 0.000 1.232 537 F CB -1.245 37.777 39.000 0.037 0.000 0.987 537 F HN 0.249 nan 8.300 nan 0.000 0.475 538 D N -0.408 120.091 120.400 0.165 0.000 2.378 538 D HA -0.077 4.562 4.640 -0.001 0.000 0.222 538 D C 2.169 178.485 176.300 0.027 0.000 0.980 538 D CA 0.566 54.599 54.000 0.054 0.000 0.907 538 D CB -0.238 40.566 40.800 0.008 0.000 0.899 538 D HN 0.282 nan 8.370 nan 0.000 0.527 539 R N -0.393 120.129 120.500 0.037 0.000 2.254 539 R HA 0.142 4.481 4.340 -0.001 0.000 0.195 539 R C -0.019 176.298 176.300 0.029 0.000 0.957 539 R CA 0.132 56.243 56.100 0.018 0.000 1.024 539 R CB 0.994 31.295 30.300 0.001 0.000 0.952 539 R HN -0.056 nan 8.270 nan 0.000 0.484 540 V N 1.593 121.539 119.914 0.053 0.000 2.357 540 V HA 0.039 4.159 4.120 -0.001 0.000 0.284 540 V C 1.033 177.157 176.094 0.051 0.000 1.018 540 V CA -0.182 62.150 62.300 0.052 0.000 0.841 540 V CB 1.668 33.530 31.823 0.065 0.000 0.991 540 V HN 0.248 nan 8.190 nan 0.000 0.437 541 S N 3.813 119.539 115.700 0.044 0.000 2.453 541 S HA -0.048 4.422 4.470 -0.001 0.000 0.231 541 S C 1.725 176.360 174.600 0.057 0.000 1.005 541 S CA 0.817 59.044 58.200 0.045 0.000 0.949 541 S CB -0.032 63.193 63.200 0.042 0.000 0.774 541 S HN 0.886 nan 8.310 nan 0.000 0.510 542 A N 1.096 123.948 122.820 0.054 0.000 2.167 542 A HA 0.414 4.734 4.320 -0.001 0.000 0.214 542 A C 0.860 178.460 177.584 0.026 0.000 1.151 542 A CA 0.038 52.106 52.037 0.051 0.000 0.735 542 A CB -0.379 18.650 19.000 0.049 0.000 0.802 542 A HN 0.378 nan 8.150 nan 0.000 0.467 543 V N 0.321 120.246 119.914 0.019 0.000 2.470 543 V HA 0.123 4.243 4.120 -0.001 0.000 0.276 543 V C 1.029 177.181 176.094 0.096 0.000 1.040 543 V CA 0.469 62.749 62.300 -0.034 0.000 1.008 543 V CB 1.268 33.042 31.823 -0.081 0.000 0.990 543 V HN 0.134 nan 8.190 nan 0.000 0.477 544 V N 3.948 123.858 119.914 -0.007 0.000 3.398 544 V HA 0.600 4.720 4.120 -0.001 0.000 0.298 544 V C 0.611 176.479 176.094 -0.376 0.000 1.496 544 V CA 0.907 63.252 62.300 0.075 0.000 1.044 544 V CB 0.589 32.475 31.823 0.105 0.000 0.880 544 V HN 0.972 nan 8.190 nan 0.000 0.443 545 G N 0.677 109.083 108.800 -0.656 0.000 2.579 545 G HA2 0.594 4.553 3.960 -0.001 0.000 0.292 545 G HA3 0.594 4.553 3.960 -0.001 0.000 0.292 545 G C -1.601 172.891 174.900 -0.679 0.000 1.484 545 G CA -0.368 44.204 45.100 -0.881 0.000 0.813 545 G HN 0.224 nan 8.290 nan 0.000 0.515 546 E N 0.262 120.172 120.200 -0.483 0.000 2.281 546 E HA 0.486 4.835 4.350 -0.001 0.000 0.266 546 E C -1.369 175.305 176.600 0.124 0.000 0.893 546 E CA -0.851 55.480 56.400 -0.116 0.000 0.798 546 E CB 2.162 31.992 29.700 0.216 0.000 1.245 546 E HN 0.391 nan 8.360 nan 0.000 0.410 547 Q N 2.455 122.415 119.800 0.267 0.000 2.347 547 Q HA 0.301 4.641 4.340 -0.001 0.000 0.265 547 Q C -0.562 175.720 176.000 0.470 0.000 1.024 547 Q CA -0.887 55.070 55.803 0.256 0.000 0.731 547 Q CB 2.631 31.426 28.738 0.094 0.000 1.245 547 Q HN 0.443 nan 8.270 nan 0.000 0.472 548 V N 3.159 123.287 119.914 0.357 0.000 2.673 548 V HA -0.119 4.000 4.120 -0.001 0.000 0.303 548 V C 1.171 177.454 176.094 0.315 0.000 1.046 548 V CA 0.405 62.717 62.300 0.020 0.000 1.126 548 V CB 0.483 32.348 31.823 0.070 0.000 0.934 548 V HN 0.900 nan 8.190 nan 0.000 0.487 549 W N 4.386 125.709 121.300 0.039 0.000 2.322 549 W HA -0.122 4.539 4.660 0.002 0.000 0.326 549 W C 0.870 177.529 176.519 0.234 0.000 1.224 549 W CA 1.457 58.908 57.345 0.176 0.000 1.257 549 W CB 0.203 29.816 29.460 0.255 0.000 1.174 549 W HN 0.598 nan 8.180 nan 0.000 0.460 550 N N -0.221 118.334 118.700 -0.242 0.000 2.392 550 N HA 0.122 4.862 4.740 -0.001 0.000 0.283 550 N C 0.316 175.719 175.510 -0.177 0.000 1.003 550 N CA -0.533 52.275 53.050 -0.403 0.000 0.892 550 N CB 1.092 39.145 38.487 -0.723 0.000 1.193 550 N HN -0.004 nan 8.380 nan 0.000 0.487 551 F N 3.706 123.409 119.950 -0.411 0.000 2.065 551 F HA 0.034 4.564 4.527 0.005 0.000 0.298 551 F C 0.450 176.071 175.800 -0.299 0.000 1.112 551 F CA 1.437 58.954 58.000 -0.805 0.000 1.212 551 F CB 0.059 38.526 39.000 -0.888 0.000 0.975 551 F HN 0.459 nan 8.300 nan 0.000 0.476 552 A N -0.405 122.295 122.820 -0.201 0.000 2.572 552 A HA 0.439 4.759 4.320 -0.001 0.000 0.295 552 A C -1.229 176.371 177.584 0.028 0.000 1.072 552 A CA -0.846 51.105 52.037 -0.145 0.000 0.691 552 A CB 0.430 19.357 19.000 -0.122 0.000 1.291 552 A HN 0.102 nan 8.150 nan 0.000 0.404 553 D N 0.699 121.081 120.400 -0.030 0.000 2.449 553 D HA 0.456 5.095 4.640 -0.001 0.000 0.236 553 D C -0.323 176.035 176.300 0.097 0.000 1.149 553 D CA 1.379 55.345 54.000 -0.056 0.000 0.878 553 D CB 0.111 40.858 40.800 -0.089 0.000 1.198 553 D HN 0.478 nan 8.370 nan 0.000 0.446 554 F N -1.722 118.251 119.950 0.038 0.000 2.645 554 F HA 0.678 5.208 4.527 0.005 0.000 0.310 554 F C -0.753 175.119 175.800 0.119 0.000 1.102 554 F CA -1.623 56.423 58.000 0.077 0.000 0.952 554 F CB 0.802 39.856 39.000 0.090 0.000 1.326 554 F HN 0.273 nan 8.300 nan 0.000 0.456 555 A N 1.461 124.502 122.820 0.367 0.000 2.401 555 A HA 0.636 4.956 4.320 -0.001 0.000 0.259 555 A C 0.154 177.969 177.584 0.385 0.000 1.103 555 A CA 0.439 52.621 52.037 0.241 0.000 0.789 555 A CB -0.086 19.012 19.000 0.164 0.000 1.035 555 A HN 1.138 nan 8.150 nan 0.000 0.491 556 T N -0.622 114.089 114.554 0.263 0.000 2.883 556 T HA 0.713 5.062 4.350 -0.001 0.000 0.284 556 T C 0.340 175.226 174.700 0.309 0.000 1.041 556 T CA -0.012 62.294 62.100 0.343 0.000 1.007 556 T CB 0.810 69.825 68.868 0.244 0.000 1.220 556 T HN 1.243 nan 8.240 nan 0.000 0.552 557 S N 0.384 116.239 115.700 0.258 0.000 2.614 557 S HA 0.294 4.763 4.470 -0.001 0.000 0.265 557 S C -0.018 174.628 174.600 0.077 0.000 1.303 557 S CA -0.931 57.380 58.200 0.185 0.000 1.000 557 S CB -0.190 62.952 63.200 -0.096 0.000 0.935 557 S HN 0.829 nan 8.310 nan 0.000 0.551 558 Q N 0.325 120.157 119.800 0.054 0.000 2.314 558 Q HA 0.601 4.940 4.340 -0.001 0.000 0.258 558 Q C 0.293 176.298 176.000 0.008 0.000 0.954 558 Q CA -0.378 55.444 55.803 0.031 0.000 0.890 558 Q CB 0.967 29.723 28.738 0.029 0.000 1.210 558 Q HN 0.942 nan 8.270 nan 0.000 0.410 559 G N 0.526 109.338 108.800 0.020 0.000 2.495 559 G HA2 0.256 4.216 3.960 -0.001 0.000 0.294 559 G HA3 0.256 4.216 3.960 -0.001 0.000 0.294 559 G C 0.129 175.051 174.900 0.037 0.000 1.397 559 G CA -0.778 44.331 45.100 0.016 0.000 0.790 559 G HN 0.726 nan 8.290 nan 0.000 0.486 560 I N -1.228 119.367 120.570 0.042 0.000 2.916 560 I HA 0.149 4.319 4.170 -0.001 0.000 0.267 560 I C 1.264 177.434 176.117 0.088 0.000 1.263 560 I CA 0.987 62.324 61.300 0.061 0.000 1.471 560 I CB -0.250 37.807 38.000 0.094 0.000 1.089 560 I HN 0.273 nan 8.210 nan 0.000 0.468 561 L N 0.716 122.005 121.223 0.110 0.000 2.477 561 L HA 0.230 4.570 4.340 -0.001 0.000 0.220 561 L C 0.705 177.735 176.870 0.267 0.000 1.106 561 L CA 0.101 55.065 54.840 0.206 0.000 0.851 561 L CB -0.137 42.038 42.059 0.193 0.000 0.994 561 L HN 0.104 nan 8.230 nan 0.000 0.462 562 R N 1.269 121.872 120.500 0.173 0.000 2.272 562 R HA 0.325 4.665 4.340 -0.001 0.000 0.323 562 R C -0.792 175.573 176.300 0.108 0.000 1.002 562 R CA -0.392 55.803 56.100 0.159 0.000 0.900 562 R CB 1.533 31.899 30.300 0.110 0.000 1.151 562 R HN -0.159 nan 8.270 nan 0.000 0.507 563 V N 2.426 122.418 119.914 0.130 0.000 2.364 563 V HA 0.106 4.226 4.120 -0.001 0.000 0.252 563 V C 1.419 177.530 176.094 0.029 0.000 1.075 563 V CA 0.304 62.628 62.300 0.040 0.000 1.033 563 V CB 0.314 32.131 31.823 -0.011 0.000 1.116 563 V HN 1.052 nan 8.190 nan 0.000 0.488 564 G N 3.693 112.500 108.800 0.011 0.000 2.379 564 G HA2 0.108 4.068 3.960 -0.001 0.000 0.297 564 G HA3 0.108 4.068 3.960 -0.001 0.000 0.297 564 G C 0.706 175.601 174.900 -0.008 0.000 1.004 564 G CA 0.547 45.646 45.100 -0.002 0.000 0.921 564 G HN 1.976 nan 8.290 nan 0.000 0.511 565 G N -1.403 107.396 108.800 -0.001 0.000 2.343 565 G HA2 0.235 4.194 3.960 -0.001 0.000 0.465 565 G HA3 0.235 4.194 3.960 -0.001 0.000 0.465 565 G C -0.589 174.237 174.900 -0.124 0.000 1.282 565 G CA 0.025 45.093 45.100 -0.054 0.000 0.996 565 G HN 1.153 nan 8.290 nan 0.000 0.521 566 N N 0.002 118.457 118.700 -0.408 0.000 2.444 566 N HA 0.465 5.204 4.740 -0.001 0.000 0.271 566 N C 0.682 175.941 175.510 -0.417 0.000 1.069 566 N CA -0.532 52.237 53.050 -0.468 0.000 0.965 566 N CB 0.503 38.438 38.487 -0.921 0.000 1.092 566 N HN 0.342 nan 8.380 nan 0.000 0.476 567 K N 2.786 123.065 120.400 -0.201 0.000 2.570 567 K HA 0.088 4.407 4.320 -0.001 0.000 0.210 567 K C 0.047 176.503 176.600 -0.240 0.000 1.048 567 K CA 0.076 56.265 56.287 -0.164 0.000 1.167 567 K CB 0.336 32.828 32.500 -0.013 0.000 0.892 567 K HN 0.586 nan 8.250 nan 0.000 0.480 568 K N 0.717 120.959 120.400 -0.263 0.000 2.522 568 K HA 0.046 4.366 4.320 -0.001 0.000 0.194 568 K C 0.899 177.361 176.600 -0.230 0.000 1.026 568 K CA -0.149 55.974 56.287 -0.274 0.000 1.119 568 K CB 0.271 32.694 32.500 -0.129 0.000 0.856 568 K HN 0.148 nan 8.250 nan 0.000 0.513 569 G N 1.268 109.941 108.800 -0.212 0.000 2.474 569 G HA2 -0.044 3.916 3.960 -0.001 0.000 0.233 569 G HA3 -0.044 3.916 3.960 -0.001 0.000 0.233 569 G C 0.847 175.609 174.900 -0.230 0.000 1.278 569 G CA -0.476 44.506 45.100 -0.196 0.000 0.861 569 G HN 0.030 nan 8.290 nan 0.000 0.567 570 I N 0.518 120.927 120.570 -0.267 0.000 2.731 570 I HA 0.182 4.352 4.170 -0.001 0.000 0.260 570 I C 0.565 176.280 176.117 -0.671 0.000 1.138 570 I CA 0.653 61.718 61.300 -0.391 0.000 1.461 570 I CB -0.628 37.208 38.000 -0.274 0.000 1.128 570 I HN 0.239 nan 8.210 nan 0.000 0.438 571 F N 0.994 120.684 119.950 -0.434 0.000 2.483 571 F HA 0.326 4.851 4.527 -0.003 0.000 0.329 571 F C 1.246 176.868 175.800 -0.297 0.000 1.064 571 F CA -0.918 56.842 58.000 -0.400 0.000 0.986 571 F CB 0.877 39.510 39.000 -0.612 0.000 1.218 571 F HN -0.163 nan 8.300 nan 0.000 0.484 572 T N -2.005 112.530 114.554 -0.031 0.000 2.754 572 T HA 0.227 4.577 4.350 -0.001 0.000 0.286 572 T C 1.198 175.871 174.700 -0.044 0.000 0.997 572 T CA -0.645 61.425 62.100 -0.049 0.000 0.982 572 T CB 0.883 69.728 68.868 -0.039 0.000 1.027 572 T HN 0.701 nan 8.240 nan 0.000 0.529 573 R N 0.358 120.834 120.500 -0.040 0.000 2.148 573 R HA -0.089 4.251 4.340 -0.001 0.000 0.227 573 R C 0.982 177.245 176.300 -0.061 0.000 1.103 573 R CA 1.553 57.634 56.100 -0.032 0.000 0.983 573 R CB -0.368 29.924 30.300 -0.014 0.000 0.874 573 R HN 0.856 nan 8.270 nan 0.000 0.451 574 D N -0.261 120.100 120.400 -0.065 0.000 2.336 574 D HA -0.035 4.605 4.640 -0.001 0.000 0.228 574 D C -0.283 175.953 176.300 -0.106 0.000 1.120 574 D CA -0.147 53.798 54.000 -0.092 0.000 0.839 574 D CB 0.162 40.916 40.800 -0.076 0.000 0.932 574 D HN 0.010 nan 8.370 nan 0.000 0.509 575 R N -0.624 119.825 120.500 -0.085 0.000 3.656 575 R HA -0.171 4.168 4.340 -0.001 0.000 0.297 575 R C -0.647 175.692 176.300 0.065 0.000 1.166 575 R CA 0.462 56.515 56.100 -0.077 0.000 0.799 575 R CB -2.879 27.324 30.300 -0.162 0.000 1.285 575 R HN 0.402 nan 8.270 nan 0.000 0.477 576 K N 1.909 122.352 120.400 0.071 0.000 2.172 576 K HA 0.333 4.653 4.320 -0.001 0.000 0.276 576 K C -2.005 174.648 176.600 0.088 0.000 1.013 576 K CA -1.741 54.598 56.287 0.087 0.000 0.913 576 K CB 1.125 33.641 32.500 0.026 0.000 1.055 576 K HN -0.115 nan 8.250 nan 0.000 0.461 577 P HA 0.105 nan 4.420 nan 0.000 0.280 577 P C -1.012 176.167 177.300 -0.200 0.000 1.244 577 P CA -0.259 62.679 63.100 -0.271 0.000 0.784 577 P CB 0.896 32.377 31.700 -0.366 0.000 0.913 578 K N 0.865 121.073 120.400 -0.320 0.000 2.102 578 K HA 0.170 4.490 4.320 -0.001 0.000 0.244 578 K C 1.659 178.196 176.600 -0.105 0.000 1.021 578 K CA -0.254 55.931 56.287 -0.169 0.000 0.913 578 K CB 0.390 32.767 32.500 -0.204 0.000 1.062 578 K HN 0.425 nan 8.250 nan 0.000 0.485 579 S N 0.187 115.913 115.700 0.043 0.000 2.423 579 S HA -0.151 4.319 4.470 -0.001 0.000 0.231 579 S C 1.968 176.621 174.600 0.087 0.000 1.014 579 S CA 0.973 59.293 58.200 0.200 0.000 0.965 579 S CB -0.335 62.989 63.200 0.205 0.000 0.785 579 S HN 0.638 nan 8.310 nan 0.000 0.495 580 A N 1.690 124.476 122.820 -0.057 0.000 2.131 580 A HA 0.231 4.551 4.320 -0.001 0.000 0.220 580 A C 2.429 179.886 177.584 -0.211 0.000 1.158 580 A CA 1.543 53.509 52.037 -0.118 0.000 0.665 580 A CB -1.299 17.608 19.000 -0.155 0.000 0.795 580 A HN 0.883 nan 8.150 nan 0.000 0.460 581 A N -0.701 121.902 122.820 -0.361 0.000 1.902 581 A HA 0.019 4.339 4.320 -0.001 0.000 0.217 581 A C 1.834 179.199 177.584 -0.365 0.000 1.181 581 A CA 1.515 53.244 52.037 -0.513 0.000 0.623 581 A CB -0.696 17.775 19.000 -0.881 0.000 0.818 581 A HN 0.505 nan 8.150 nan 0.000 0.443 582 F N -0.433 119.545 119.950 0.046 0.000 2.259 582 F HA -0.035 4.488 4.527 -0.006 0.000 0.298 582 F C 2.061 177.825 175.800 -0.060 0.000 1.088 582 F CA 0.643 58.679 58.000 0.060 0.000 1.358 582 F CB -0.435 38.631 39.000 0.111 0.000 1.040 582 F HN 0.189 nan 8.300 nan 0.000 0.505 583 L N 0.639 121.889 121.223 0.045 0.000 2.017 583 L HA -0.175 4.165 4.340 -0.001 0.000 0.208 583 L C 1.972 178.729 176.870 -0.190 0.000 1.073 583 L CA 2.011 56.824 54.840 -0.044 0.000 0.745 583 L CB -1.069 40.965 42.059 -0.042 0.000 0.894 583 L HN 0.212 nan 8.230 nan 0.000 0.432 584 L N -0.265 120.758 121.223 -0.333 0.000 2.027 584 L HA -0.233 4.107 4.340 -0.001 0.000 0.206 584 L C 2.695 179.203 176.870 -0.604 0.000 1.074 584 L CA 1.462 55.862 54.840 -0.734 0.000 0.745 584 L CB -0.647 40.851 42.059 -0.936 0.000 0.898 584 L HN 0.364 nan 8.230 nan 0.000 0.433 585 Q N 1.128 120.690 119.800 -0.398 0.000 2.096 585 Q HA -0.280 4.060 4.340 -0.001 0.000 0.208 585 Q C 1.998 177.869 176.000 -0.215 0.000 0.993 585 Q CA 2.109 57.683 55.803 -0.383 0.000 0.862 585 Q CB -0.168 28.198 28.738 -0.619 0.000 0.915 585 Q HN 0.321 nan 8.270 nan 0.000 0.416 586 K N -0.250 120.063 120.400 -0.145 0.000 2.025 586 K HA -0.156 4.163 4.320 -0.001 0.000 0.207 586 K C 2.358 178.910 176.600 -0.080 0.000 1.049 586 K CA 1.450 57.693 56.287 -0.074 0.000 0.933 586 K CB -0.292 32.189 32.500 -0.032 0.000 0.714 586 K HN 0.333 nan 8.250 nan 0.000 0.438 587 R N 0.289 120.696 120.500 -0.155 0.000 2.073 587 R HA -0.162 4.177 4.340 -0.001 0.000 0.234 587 R C 1.699 177.997 176.300 -0.004 0.000 1.134 587 R CA 1.682 57.694 56.100 -0.147 0.000 0.952 587 R CB -0.205 29.906 30.300 -0.314 0.000 0.850 587 R HN 0.245 nan 8.270 nan 0.000 0.433 588 W N 0.867 122.105 121.300 -0.102 0.000 2.476 588 W HA 0.060 4.720 4.660 0.000 0.000 0.281 588 W C 2.257 178.730 176.519 -0.077 0.000 1.230 588 W CA 1.435 58.720 57.345 -0.099 0.000 1.287 588 W CB -0.913 28.485 29.460 -0.104 0.000 1.108 588 W HN 0.336 nan 8.180 nan 0.000 0.567 589 T N -2.561 112.069 114.554 0.126 0.000 3.067 589 T HA 0.220 4.570 4.350 -0.001 0.000 0.261 589 T C 1.264 175.998 174.700 0.057 0.000 1.110 589 T CA 0.734 62.878 62.100 0.073 0.000 1.113 589 T CB -0.328 68.544 68.868 0.007 0.000 0.917 589 T HN -0.065 nan 8.240 nan 0.000 0.499 593 F N 2.201 122.144 119.950 -0.012 0.000 2.623 593 F HA 0.231 4.757 4.527 -0.001 0.000 0.386 593 F C 1.636 177.426 175.800 -0.018 0.000 1.068 593 F CA 1.839 59.834 58.000 -0.009 0.000 1.265 593 F CB 0.221 39.229 39.000 0.014 0.000 1.026 593 F HN 0.764 nan 8.300 nan 0.000 0.568 594 G N 3.932 112.175 108.800 -0.929 0.000 2.225 594 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.267 594 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.267 594 G C -0.169 174.483 174.900 -0.414 0.000 1.024 594 G CA 0.440 45.083 45.100 -0.762 0.000 0.784 594 G HN 0.929 nan 8.290 nan 0.000 0.507 595 E N -0.480 119.538 120.200 -0.303 0.000 2.287 595 E HA 0.410 4.760 4.350 -0.001 0.000 0.274 595 E C 0.113 176.529 176.600 -0.305 0.000 0.896 595 E CA -0.963 55.321 56.400 -0.194 0.000 0.788 595 E CB 0.877 30.523 29.700 -0.091 0.000 1.244 595 E HN 0.208 nan 8.360 nan 0.000 0.408 596 K N 4.550 124.720 120.400 -0.383 0.000 2.485 596 K HA 0.140 4.460 4.320 -0.001 0.000 0.277 596 K C -2.143 174.215 176.600 -0.403 0.000 0.990 596 K CA -0.970 54.909 56.287 -0.681 0.000 0.994 596 K CB 0.383 32.622 32.500 -0.436 0.000 0.906 596 K HN 0.289 nan 8.250 nan 0.000 0.488 597 P HA -0.068 nan 4.420 nan 0.000 0.271 597 P C -0.627 176.588 177.300 -0.141 0.000 1.244 597 P CA -0.178 62.797 63.100 -0.209 0.000 0.793 597 P CB 0.403 32.002 31.700 -0.168 0.000 0.984 598 Q N 0.871 120.618 119.800 -0.089 0.000 2.265 598 Q HA -0.071 4.268 4.340 -0.001 0.000 0.217 598 Q C -0.072 175.900 176.000 -0.046 0.000 0.916 598 Q CA 0.200 55.967 55.803 -0.059 0.000 0.948 598 Q CB -0.632 28.082 28.738 -0.041 0.000 1.020 598 Q HN 0.354 nan 8.270 nan 0.000 0.462 599 Q N -1.786 117.983 119.800 -0.053 0.000 2.489 599 Q HA -0.185 4.155 4.340 -0.001 0.000 0.259 599 Q C -0.517 175.465 176.000 -0.029 0.000 0.934 599 Q CA 0.830 56.612 55.803 -0.035 0.000 1.131 599 Q CB -1.289 27.435 28.738 -0.024 0.000 1.472 599 Q HN 0.701 nan 8.270 nan 0.000 0.560 600 G N -2.421 106.358 108.800 -0.034 0.000 2.646 600 G HA2 0.610 4.570 3.960 -0.001 0.000 0.291 600 G HA3 0.610 4.570 3.960 -0.001 0.000 0.291 600 G C -0.088 174.795 174.900 -0.028 0.000 1.445 600 G CA -0.241 44.843 45.100 -0.027 0.000 0.814 600 G HN 0.332 nan 8.290 nan 0.000 0.495 601 G N 0.000 108.787 108.800 -0.021 0.000 5.446 601 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 601 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 601 G CA 0.000 45.089 45.100 -0.019 0.000 0.502 601 G HN 0.000 nan 8.290 nan 0.000 0.925