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 1ni5_1_A DATA FIRST_RESID 0 DATA SEQUENCE SXTLTLNRQL LTSRQILVAF SGGLDSTVLL HQLVQWRTEN PGVALRAIHV DATA SEQUENCE HHGLSANADA WVTHCENVCQ QWQVPLVVER VQLAQEGLGI EAQARQARYQ DATA SEQUENCE AFARTLLPGE VLVTAQHLDD QCETFLLALK RGSGPAGLSA XAEVSEFAGT DATA SEQUENCE RLIRPLLART RGELVQWARQ YDLRWIEDES NQDDSYDRNF LRLRVVPLLQ DATA SEQUENCE QRWPHFAEAT ARSAALCAEQ ESLLDELLAD DLAHCQSPQG TLQIVPXLAX DATA SEQUENCE SDARRAAIIR RWLAGQNAPX PSRDALVRIW QEVALAREDA SPCLRLGAFE DATA SEQUENCE IRRYQSQLWW IKSVTGQSEN IVPWQTWLQP LELPAGLGSV QLNAGGDIRP DATA SEQUENCE PRADEAVSVR FKAPGLLHIV GRNGGRKLKK IWQELGVPPW LRDTTPLLFY DATA SEQUENCE GETLIAAAGV FVTQEGVAEG ENGVSFVWQK TLS 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.571 174.600 -0.048 0.000 1.055 0 S CA 0.000 58.211 58.200 0.019 0.000 1.107 0 S CB 0.000 63.205 63.200 0.008 0.000 0.593 3 L N 2.262 123.460 121.223 -0.043 0.000 1.989 3 L HA -0.034 4.307 4.340 0.000 0.000 0.211 3 L C 2.602 179.430 176.870 -0.070 0.000 1.071 3 L CA 2.567 57.389 54.840 -0.030 0.000 0.749 3 L CB -0.922 41.129 42.059 -0.014 0.000 0.890 3 L HN 0.435 nan 8.230 nan 0.000 0.431 4 T N -0.301 114.193 114.554 -0.101 0.000 2.759 4 T HA -0.225 4.125 4.350 0.000 0.000 0.269 4 T C 1.938 176.532 174.700 -0.177 0.000 1.042 4 T CA 1.587 63.611 62.100 -0.127 0.000 1.140 4 T CB -0.322 68.462 68.868 -0.140 0.000 0.864 4 T HN 0.246 nan 8.240 nan 0.000 0.455 5 L N 1.638 122.721 121.223 -0.234 0.000 1.989 5 L HA -0.213 4.127 4.340 0.000 0.000 0.211 5 L C 2.606 179.248 176.870 -0.380 0.000 1.071 5 L CA 2.192 56.821 54.840 -0.352 0.000 0.749 5 L CB -0.621 41.184 42.059 -0.423 0.000 0.890 5 L HN 0.470 nan 8.230 nan 0.000 0.431 6 N N -0.158 118.403 118.700 -0.232 0.000 2.166 6 N HA -0.280 4.460 4.740 0.000 0.000 0.186 6 N C 1.865 177.349 175.510 -0.043 0.000 1.019 6 N CA 1.376 54.386 53.050 -0.067 0.000 0.856 6 N CB -0.462 38.107 38.487 0.135 0.000 0.993 6 N HN 0.183 nan 8.380 nan 0.000 0.426 7 R N 0.243 120.703 120.500 -0.066 0.000 2.081 7 R HA -0.090 4.250 4.340 0.000 0.000 0.235 7 R C 1.774 178.031 176.300 -0.072 0.000 1.131 7 R CA 1.680 57.750 56.100 -0.049 0.000 0.960 7 R CB -0.138 30.131 30.300 -0.053 0.000 0.856 7 R HN 0.471 nan 8.270 nan 0.000 0.436 8 Q N -0.192 119.533 119.800 -0.125 0.000 2.378 8 Q HA 0.009 4.349 4.340 0.000 0.000 0.205 8 Q C 1.458 177.364 176.000 -0.156 0.000 0.954 8 Q CA 0.701 56.422 55.803 -0.137 0.000 0.901 8 Q CB 0.347 28.984 28.738 -0.169 0.000 0.981 8 Q HN 0.384 nan 8.270 nan 0.000 0.483 9 L N -0.135 120.967 121.223 -0.200 0.000 2.728 9 L HA 0.137 4.477 4.340 0.000 0.000 0.238 9 L C 1.527 178.427 176.870 0.049 0.000 1.143 9 L CA -0.107 54.613 54.840 -0.199 0.000 0.937 9 L CB 0.112 41.773 42.059 -0.663 0.000 1.225 9 L HN 0.217 nan 8.230 nan 0.000 0.507 10 L N 0.500 121.758 121.223 0.059 0.000 1.990 10 L HA -0.205 4.135 4.340 0.000 0.000 0.213 10 L C 2.329 179.252 176.870 0.088 0.000 1.072 10 L CA 2.189 57.092 54.840 0.106 0.000 0.755 10 L CB -0.480 41.612 42.059 0.055 0.000 0.889 10 L HN 0.446 nan 8.230 nan 0.000 0.432 11 T N -3.546 111.035 114.554 0.045 0.000 3.496 11 T HA 0.095 4.445 4.350 0.000 0.000 0.253 11 T C 0.358 175.087 174.700 0.049 0.000 1.134 11 T CA -0.153 61.969 62.100 0.036 0.000 0.993 11 T CB -0.266 68.610 68.868 0.014 0.000 1.018 11 T HN 0.099 nan 8.240 nan 0.000 0.571 12 S N -0.239 115.515 115.700 0.091 0.000 2.540 12 S HA 0.660 5.130 4.470 0.000 0.000 0.275 12 S C 0.080 174.792 174.600 0.188 0.000 1.123 12 S CA -1.024 57.243 58.200 0.112 0.000 0.907 12 S CB 2.493 65.742 63.200 0.082 0.000 1.081 12 S HN 0.160 nan 8.310 nan 0.000 0.476 13 R N 0.614 121.193 120.500 0.132 0.000 2.276 13 R HA 0.304 4.644 4.340 0.000 0.000 0.195 13 R C -0.133 176.228 176.300 0.102 0.000 0.908 13 R CA 0.567 56.727 56.100 0.099 0.000 1.083 13 R CB 0.373 30.694 30.300 0.036 0.000 1.182 13 R HN 0.540 nan 8.270 nan 0.000 0.608 14 Q N 0.663 120.520 119.800 0.095 0.000 2.357 14 Q HA 0.398 4.738 4.340 0.000 0.000 0.266 14 Q C -1.111 174.941 176.000 0.088 0.000 1.021 14 Q CA -0.548 55.304 55.803 0.082 0.000 0.784 14 Q CB 2.109 30.878 28.738 0.052 0.000 1.243 14 Q HN -0.026 nan 8.270 nan 0.000 0.465 15 I N 2.249 122.883 120.570 0.106 0.000 2.607 15 I HA 0.398 4.569 4.170 0.000 0.000 0.305 15 I C -0.629 175.507 176.117 0.032 0.000 0.995 15 I CA -0.696 60.642 61.300 0.062 0.000 1.148 15 I CB 1.670 39.714 38.000 0.074 0.000 1.323 15 I HN 0.413 nan 8.210 nan 0.000 0.461 16 L N 6.133 127.350 121.223 -0.009 0.000 2.446 16 L HA 0.533 4.873 4.340 0.000 0.000 0.268 16 L C -1.579 175.237 176.870 -0.089 0.000 0.975 16 L CA -0.665 54.162 54.840 -0.022 0.000 0.848 16 L CB 1.643 43.698 42.059 -0.006 0.000 1.225 16 L HN 0.431 nan 8.230 nan 0.000 0.410 17 V N 5.597 125.470 119.914 -0.068 0.000 2.394 17 V HA 0.646 4.766 4.120 0.000 0.000 0.282 17 V C 0.634 176.682 176.094 -0.075 0.000 1.031 17 V CA -0.319 61.924 62.300 -0.096 0.000 0.881 17 V CB 1.691 33.485 31.823 -0.048 0.000 0.982 17 V HN 0.914 nan 8.190 nan 0.000 0.451 18 A N 7.095 129.768 122.820 -0.244 0.000 2.496 18 A HA 0.343 4.663 4.320 0.000 0.000 0.278 18 A C -0.505 177.125 177.584 0.076 0.000 1.137 18 A CA 0.159 52.057 52.037 -0.230 0.000 0.805 18 A CB -0.648 18.059 19.000 -0.490 0.000 1.077 18 A HN 1.012 nan 8.150 nan 0.000 0.513 19 F N 4.517 124.472 119.950 0.007 0.000 2.311 19 F HA 0.443 4.970 4.527 0.000 0.000 0.371 19 F C 0.627 176.490 175.800 0.105 0.000 1.083 19 F CA -0.739 57.304 58.000 0.072 0.000 1.113 19 F CB 0.836 39.920 39.000 0.141 0.000 1.349 19 F HN 0.529 nan 8.300 nan 0.000 0.470 20 S N 2.563 118.031 115.700 -0.387 0.000 2.646 20 S HA 0.482 4.952 4.470 0.000 0.000 0.276 20 S C 1.337 175.481 174.600 -0.759 0.000 1.222 20 S CA -0.208 57.718 58.200 -0.458 0.000 1.014 20 S CB 1.463 64.452 63.200 -0.352 0.000 0.991 20 S HN 0.783 nan 8.310 nan 0.000 0.533 21 G N 1.023 109.466 108.800 -0.594 0.000 2.501 21 G HA2 0.184 4.144 3.960 0.000 0.000 0.220 21 G HA3 0.184 4.144 3.960 0.000 0.000 0.220 21 G C 0.813 175.482 174.900 -0.385 0.000 1.114 21 G CA 0.211 44.907 45.100 -0.674 0.000 0.757 21 G HN 1.145 nan 8.290 nan 0.000 0.559 22 G N -0.334 108.287 108.800 -0.298 0.000 2.825 22 G HA2 0.170 4.130 3.960 0.000 0.000 0.241 22 G HA3 0.170 4.130 3.960 0.000 0.000 0.241 22 G C 1.052 175.925 174.900 -0.045 0.000 1.239 22 G CA 0.021 45.076 45.100 -0.074 0.000 0.859 22 G HN 0.274 nan 8.290 nan 0.000 0.598 23 L N 0.631 121.704 121.223 -0.250 0.000 1.941 23 L HA -0.198 4.142 4.340 0.000 0.000 0.224 23 L C 2.821 179.504 176.870 -0.311 0.000 1.081 23 L CA 3.260 57.651 54.840 -0.749 0.000 0.784 23 L CB -0.909 40.572 42.059 -0.963 0.000 0.894 23 L HN 0.798 nan 8.230 nan 0.000 0.436 24 D N -1.174 119.106 120.400 -0.199 0.000 2.157 24 D HA -0.235 4.405 4.640 0.000 0.000 0.191 24 D C 1.811 178.102 176.300 -0.015 0.000 1.004 24 D CA 2.163 56.109 54.000 -0.090 0.000 0.854 24 D CB -1.001 39.840 40.800 0.069 0.000 0.936 24 D HN 0.466 nan 8.370 nan 0.000 0.446 25 S N -0.538 115.189 115.700 0.044 0.000 2.355 25 S HA -0.110 4.360 4.470 0.000 0.000 0.222 25 S C 2.127 176.973 174.600 0.410 0.000 1.031 25 S CA 1.563 59.890 58.200 0.211 0.000 0.993 25 S CB -0.671 62.633 63.200 0.173 0.000 0.859 25 S HN 0.424 nan 8.310 nan 0.000 0.453 26 T N 2.235 117.039 114.554 0.416 0.000 2.746 26 T HA -0.057 4.293 4.350 0.000 0.000 0.267 26 T C 1.911 176.831 174.700 0.367 0.000 1.039 26 T CA 1.225 63.662 62.100 0.562 0.000 1.142 26 T CB -0.359 68.783 68.868 0.458 0.000 0.866 26 T HN 0.181 nan 8.240 nan 0.000 0.444 27 V N 1.222 121.220 119.914 0.141 0.000 2.453 27 V HA -0.042 4.078 4.120 0.000 0.000 0.247 27 V C 2.315 178.356 176.094 -0.087 0.000 1.048 27 V CA 0.997 63.328 62.300 0.052 0.000 1.049 27 V CB -0.551 31.202 31.823 -0.116 0.000 0.672 27 V HN 0.313 nan 8.190 nan 0.000 0.457 28 L N 0.017 121.195 121.223 -0.075 0.000 2.027 28 L HA -0.080 4.260 4.340 0.000 0.000 0.206 28 L C 2.183 178.977 176.870 -0.125 0.000 1.074 28 L CA 1.929 56.684 54.840 -0.143 0.000 0.745 28 L CB -0.785 41.217 42.059 -0.094 0.000 0.898 28 L HN 0.303 nan 8.230 nan 0.000 0.433 29 L N -0.656 120.555 121.223 -0.020 0.000 2.017 29 L HA -0.236 4.104 4.340 0.000 0.000 0.208 29 L C 2.679 179.418 176.870 -0.217 0.000 1.073 29 L CA 2.257 57.044 54.840 -0.088 0.000 0.745 29 L CB -1.251 40.732 42.059 -0.126 0.000 0.894 29 L HN 0.594 nan 8.230 nan 0.000 0.432 30 H N -0.689 118.197 119.070 -0.306 0.000 2.387 30 H HA -0.186 4.370 4.556 0.000 0.000 0.299 30 H C 1.960 177.059 175.328 -0.382 0.000 1.099 30 H CA 2.023 57.673 56.048 -0.664 0.000 1.315 30 H CB 0.202 29.791 29.762 -0.290 0.000 1.380 30 H HN 0.568 nan 8.280 nan 0.000 0.513 31 Q N 0.165 119.715 119.800 -0.417 0.000 2.167 31 Q HA -0.075 4.265 4.340 0.000 0.000 0.202 31 Q C 2.727 178.550 176.000 -0.294 0.000 0.970 31 Q CA 1.041 56.583 55.803 -0.435 0.000 0.855 31 Q CB 0.241 28.679 28.738 -0.500 0.000 0.911 31 Q HN 0.505 nan 8.270 nan 0.000 0.438 32 L N -0.420 120.662 121.223 -0.235 0.000 2.109 32 L HA -0.113 4.228 4.340 0.000 0.000 0.207 32 L C 2.153 179.022 176.870 -0.002 0.000 1.086 32 L CA 0.518 55.326 54.840 -0.053 0.000 0.760 32 L CB -0.147 41.872 42.059 -0.068 0.000 0.910 32 L HN 0.075 nan 8.230 nan 0.000 0.437 33 V N -0.737 119.051 119.914 -0.209 0.000 2.809 33 V HA -0.236 3.884 4.120 0.000 0.000 0.256 33 V C 2.306 178.261 176.094 -0.232 0.000 1.080 33 V CA 1.239 63.396 62.300 -0.238 0.000 1.102 33 V CB -0.305 31.248 31.823 -0.450 0.000 0.705 33 V HN 0.391 nan 8.190 nan 0.000 0.475 34 Q N -0.902 118.723 119.800 -0.291 0.000 2.083 34 Q HA -0.176 4.164 4.340 0.000 0.000 0.198 34 Q C 1.865 177.834 176.000 -0.052 0.000 0.969 34 Q CA 1.845 57.511 55.803 -0.228 0.000 0.838 34 Q CB -0.360 28.179 28.738 -0.333 0.000 0.900 34 Q HN 0.746 nan 8.270 nan 0.000 0.436 35 W N 0.868 122.042 121.300 -0.210 0.000 2.388 35 W HA -0.107 4.553 4.660 0.000 0.000 0.294 35 W C 2.140 178.589 176.519 -0.117 0.000 1.212 35 W CA 1.718 58.973 57.345 -0.149 0.000 1.271 35 W CB -0.170 29.197 29.460 -0.156 0.000 1.126 35 W HN 0.068 nan 8.180 nan 0.000 0.535 36 R N -0.538 119.881 120.500 -0.135 0.000 2.081 36 R HA -0.138 4.202 4.340 0.000 0.000 0.235 36 R C 1.977 178.123 176.300 -0.257 0.000 1.131 36 R CA 2.072 57.990 56.100 -0.304 0.000 0.960 36 R CB -0.813 29.402 30.300 -0.142 0.000 0.856 36 R HN 0.019 nan 8.270 nan 0.000 0.436 37 T N 0.188 114.645 114.554 -0.163 0.000 3.025 37 T HA -0.103 4.247 4.350 0.000 0.000 0.270 37 T C 1.086 175.708 174.700 -0.130 0.000 1.126 37 T CA 1.355 63.381 62.100 -0.122 0.000 1.105 37 T CB -0.068 68.751 68.868 -0.083 0.000 0.884 37 T HN 0.265 nan 8.240 nan 0.000 0.522 38 E N 0.790 120.884 120.200 -0.177 0.000 2.460 38 E HA 0.135 4.485 4.350 0.000 0.000 0.200 38 E C -0.357 176.106 176.600 -0.229 0.000 1.011 38 E CA 0.124 56.430 56.400 -0.157 0.000 0.912 38 E CB 0.342 29.985 29.700 -0.094 0.000 0.953 38 E HN 0.250 nan 8.360 nan 0.000 0.494 39 N N 0.980 119.460 118.700 -0.367 0.000 2.762 39 N HA 0.280 5.021 4.740 0.000 0.000 0.252 39 N C -2.840 172.473 175.510 -0.328 0.000 1.269 39 N CA -1.534 51.280 53.050 -0.393 0.000 0.799 39 N CB 1.666 39.755 38.487 -0.663 0.000 1.173 39 N HN -0.092 nan 8.380 nan 0.000 0.516 40 P HA 0.109 nan 4.420 nan 0.000 0.264 40 P C 1.019 178.230 177.300 -0.148 0.000 1.183 40 P CA 0.790 63.797 63.100 -0.154 0.000 0.763 40 P CB 0.658 32.294 31.700 -0.106 0.000 0.807 41 G N 1.123 109.847 108.800 -0.127 0.000 2.195 41 G HA2 -0.210 3.750 3.960 0.000 0.000 0.246 41 G HA3 -0.210 3.750 3.960 0.000 0.000 0.246 41 G C 0.038 174.865 174.900 -0.123 0.000 0.984 41 G CA -0.221 44.818 45.100 -0.103 0.000 0.633 41 G HN 0.534 nan 8.290 nan 0.000 0.525 42 V N 1.992 121.788 119.914 -0.198 0.000 2.427 42 V HA 0.634 4.754 4.120 0.000 0.000 0.268 42 V C 0.923 176.935 176.094 -0.136 0.000 1.046 42 V CA 0.092 62.254 62.300 -0.230 0.000 0.970 42 V CB 0.964 32.465 31.823 -0.537 0.000 1.001 42 V HN 1.020 nan 8.190 nan 0.000 0.476 43 A N 6.102 128.890 122.820 -0.053 0.000 2.327 43 A HA 0.806 5.126 4.320 0.000 0.000 0.283 43 A C -0.789 176.815 177.584 0.034 0.000 1.127 43 A CA -0.374 51.657 52.037 -0.010 0.000 0.810 43 A CB 0.882 19.885 19.000 0.004 0.000 1.066 43 A HN 0.813 nan 8.150 nan 0.000 0.492 44 L N 2.186 123.431 121.223 0.037 0.000 2.410 44 L HA 0.702 5.042 4.340 0.000 0.000 0.270 44 L C -0.494 176.402 176.870 0.044 0.000 0.983 44 L CA -0.180 54.696 54.840 0.060 0.000 0.822 44 L CB 1.760 43.860 42.059 0.068 0.000 1.285 44 L HN 0.817 nan 8.230 nan 0.000 0.409 45 R N 3.485 124.011 120.500 0.043 0.000 2.744 45 R HA 0.934 5.274 4.340 0.000 0.000 0.279 45 R C -1.316 175.009 176.300 0.042 0.000 0.977 45 R CA -0.931 55.197 56.100 0.046 0.000 0.906 45 R CB 2.147 32.479 30.300 0.054 0.000 1.197 45 R HN 0.790 nan 8.270 nan 0.000 0.463 46 A N 2.384 125.243 122.820 0.065 0.000 2.380 46 A HA 0.762 5.082 4.320 0.000 0.000 0.315 46 A C -1.022 176.662 177.584 0.166 0.000 1.101 46 A CA -0.776 51.317 52.037 0.093 0.000 0.771 46 A CB 1.450 20.482 19.000 0.053 0.000 1.287 46 A HN 0.761 nan 8.150 nan 0.000 0.436 47 I N 1.402 122.101 120.570 0.215 0.000 2.529 47 I HA 0.374 4.545 4.170 0.000 0.000 0.284 47 I C -1.295 175.017 176.117 0.325 0.000 1.088 47 I CA -0.371 61.083 61.300 0.256 0.000 1.062 47 I CB 1.314 39.445 38.000 0.218 0.000 1.218 47 I HN 0.940 nan 8.210 nan 0.000 0.442 48 H N 6.235 125.466 119.070 0.268 0.000 2.527 48 H HA 0.553 5.109 4.556 0.000 0.000 0.321 48 H C -1.327 174.139 175.328 0.230 0.000 1.087 48 H CA -0.278 55.911 56.048 0.235 0.000 1.337 48 H CB 1.578 31.471 29.762 0.219 0.000 1.440 48 H HN 0.345 nan 8.280 nan 0.000 0.490 49 V N 6.821 126.681 119.914 -0.091 0.000 2.294 49 V HA 0.052 4.172 4.120 0.000 0.000 0.272 49 V C -0.048 176.177 176.094 0.218 0.000 1.027 49 V CA -0.707 61.656 62.300 0.105 0.000 0.823 49 V CB 0.367 32.191 31.823 0.002 0.000 1.030 49 V HN 0.799 nan 8.190 nan 0.000 0.457 50 H N 7.088 126.328 119.070 0.282 0.000 2.782 50 H HA 0.370 4.926 4.556 0.000 0.000 0.285 50 H C -0.577 174.870 175.328 0.199 0.000 1.093 50 H CA -0.132 56.072 56.048 0.260 0.000 1.410 50 H CB 0.264 30.169 29.762 0.239 0.000 1.439 50 H HN 0.842 nan 8.280 nan 0.000 0.469 51 H N 2.451 121.494 119.070 -0.046 0.000 2.895 51 H HA 0.486 5.042 4.556 0.000 0.000 0.373 51 H C 0.255 175.527 175.328 -0.093 0.000 1.174 51 H CA -0.435 55.619 56.048 0.009 0.000 1.144 51 H CB 1.248 31.006 29.762 -0.006 0.000 1.793 51 H HN 0.854 nan 8.280 nan 0.000 0.551 52 G N 0.404 109.241 108.800 0.061 0.000 2.846 52 G HA2 -0.224 3.736 3.960 0.000 0.000 0.660 52 G HA3 -0.224 3.736 3.960 0.000 0.000 0.660 52 G C -0.937 173.915 174.900 -0.080 0.000 1.464 52 G CA -0.204 44.889 45.100 -0.012 0.000 0.891 52 G HN 0.755 nan 8.290 nan 0.000 0.552 53 L N 1.620 122.810 121.223 -0.056 0.000 2.449 53 L HA 0.629 4.969 4.340 0.000 0.000 0.255 53 L C 1.025 177.819 176.870 -0.126 0.000 1.167 53 L CA 0.459 55.259 54.840 -0.067 0.000 1.090 53 L CB 0.219 42.263 42.059 -0.026 0.000 1.385 53 L HN 0.982 nan 8.230 nan 0.000 0.411 54 S N 1.671 117.235 115.700 -0.226 0.000 2.617 54 S HA 0.566 5.036 4.470 0.000 0.000 0.269 54 S C 1.577 175.973 174.600 -0.339 0.000 1.292 54 S CA 0.034 58.054 58.200 -0.300 0.000 1.010 54 S CB 1.489 64.391 63.200 -0.497 0.000 0.944 54 S HN 0.701 nan 8.310 nan 0.000 0.536 55 A N 3.455 126.088 122.820 -0.311 0.000 1.933 55 A HA -0.033 4.287 4.320 0.000 0.000 0.218 55 A C 1.390 178.743 177.584 -0.384 0.000 1.175 55 A CA 1.768 53.649 52.037 -0.261 0.000 0.628 55 A CB -0.711 18.190 19.000 -0.165 0.000 0.814 55 A HN 0.852 nan 8.150 nan 0.000 0.444 56 N N -1.121 117.147 118.700 -0.719 0.000 2.187 56 N HA 0.373 5.113 4.740 0.000 0.000 0.212 56 N C 1.220 175.997 175.510 -1.221 0.000 1.152 56 N CA 0.598 53.104 53.050 -0.907 0.000 0.872 56 N CB 0.168 38.079 38.487 -0.960 0.000 1.025 56 N HN 0.344 nan 8.380 nan 0.000 0.514 57 A N 0.893 123.075 122.820 -1.063 0.000 1.954 57 A HA -0.291 4.029 4.320 0.000 0.000 0.222 57 A C 1.466 178.935 177.584 -0.192 0.000 1.199 57 A CA 2.302 53.929 52.037 -0.683 0.000 0.657 57 A CB -0.534 18.144 19.000 -0.537 0.000 0.823 57 A HN 0.228 nan 8.150 nan 0.000 0.463 58 D N -0.819 119.505 120.400 -0.128 0.000 2.194 58 D HA 0.195 4.835 4.640 0.000 0.000 0.204 58 D C 2.200 178.473 176.300 -0.044 0.000 0.964 58 D CA 1.207 55.207 54.000 0.000 0.000 0.846 58 D CB -0.228 40.557 40.800 -0.024 0.000 0.962 58 D HN 0.472 nan 8.370 nan 0.000 0.490 59 A N 0.481 123.216 122.820 -0.142 0.000 1.898 59 A HA -0.132 4.188 4.320 0.000 0.000 0.216 59 A C 1.668 179.303 177.584 0.086 0.000 1.181 59 A CA 0.738 52.742 52.037 -0.055 0.000 0.620 59 A CB -0.917 18.023 19.000 -0.098 0.000 0.819 59 A HN 0.232 nan 8.150 nan 0.000 0.442 60 W N 0.298 121.575 121.300 -0.039 0.000 2.338 60 W HA -0.150 4.510 4.660 0.000 0.000 0.304 60 W C 2.299 178.675 176.519 -0.237 0.000 1.212 60 W CA 1.096 58.382 57.345 -0.098 0.000 1.264 60 W CB -1.524 27.906 29.460 -0.051 0.000 1.142 60 W HN 0.185 nan 8.180 nan 0.000 0.512 61 V N 0.524 120.404 119.914 -0.057 0.000 2.255 61 V HA -0.354 3.766 4.120 0.000 0.000 0.247 61 V C 2.271 178.338 176.094 -0.046 0.000 1.051 61 V CA 2.765 64.930 62.300 -0.225 0.000 1.018 61 V CB -1.636 30.168 31.823 -0.032 0.000 0.641 61 V HN 0.140 nan 8.190 nan 0.000 0.445 62 T N -0.878 113.692 114.554 0.026 0.000 2.699 62 T HA -0.278 4.072 4.350 0.000 0.000 0.268 62 T C 1.923 176.675 174.700 0.087 0.000 1.036 62 T CA 1.959 64.087 62.100 0.046 0.000 1.147 62 T CB -0.498 68.392 68.868 0.036 0.000 0.862 62 T HN 0.629 nan 8.240 nan 0.000 0.446 63 H N 0.556 119.643 119.070 0.027 0.000 2.352 63 H HA -0.072 4.485 4.556 0.000 0.000 0.299 63 H C 2.222 177.593 175.328 0.072 0.000 1.097 63 H CA 1.466 57.541 56.048 0.046 0.000 1.311 63 H CB -0.780 29.029 29.762 0.077 0.000 1.377 63 H HN 0.375 nan 8.280 nan 0.000 0.504 64 C N 1.070 120.587 119.300 0.362 0.000 2.432 64 C HA -0.028 4.432 4.460 0.000 0.000 0.280 64 C C 2.647 177.808 174.990 0.286 0.000 1.353 64 C CA 0.749 60.027 59.018 0.433 0.000 1.766 64 C CB -0.613 27.289 27.740 0.270 0.000 1.924 64 C HN 0.642 nan 8.230 nan 0.000 0.509 65 E N 1.101 121.386 120.200 0.142 0.000 2.107 65 E HA -0.120 4.231 4.350 0.000 0.000 0.191 65 E C 1.728 178.349 176.600 0.036 0.000 0.982 65 E CA 0.778 57.231 56.400 0.089 0.000 0.809 65 E CB -0.165 29.568 29.700 0.055 0.000 0.756 65 E HN 0.666 nan 8.360 nan 0.000 0.459 66 N N 0.930 119.621 118.700 -0.015 0.000 2.135 66 N HA -0.128 4.612 4.740 0.000 0.000 0.186 66 N C 2.318 177.734 175.510 -0.156 0.000 1.027 66 N CA 1.704 54.698 53.050 -0.093 0.000 0.849 66 N CB -0.492 37.901 38.487 -0.155 0.000 1.002 66 N HN 0.139 nan 8.380 nan 0.000 0.425 67 V N -0.106 119.692 119.914 -0.192 0.000 2.287 67 V HA -0.237 3.883 4.120 0.000 0.000 0.248 67 V C 2.635 178.567 176.094 -0.270 0.000 1.053 67 V CA 1.425 63.506 62.300 -0.366 0.000 1.027 67 V CB -1.466 30.235 31.823 -0.204 0.000 0.646 67 V HN 0.226 nan 8.190 nan 0.000 0.447 68 C N 0.015 119.301 119.300 -0.024 0.000 2.413 68 C HA -0.188 4.272 4.460 0.000 0.000 0.276 68 C C 2.946 177.985 174.990 0.082 0.000 1.236 68 C CA 1.862 60.920 59.018 0.066 0.000 1.735 68 C CB -1.108 26.687 27.740 0.091 0.000 2.031 68 C HN 0.759 nan 8.230 nan 0.000 0.474 69 Q N 0.333 120.151 119.800 0.031 0.000 2.050 69 Q HA -0.271 4.070 4.340 0.000 0.000 0.202 69 Q C 2.219 178.237 176.000 0.030 0.000 0.980 69 Q CA 1.858 57.681 55.803 0.033 0.000 0.840 69 Q CB -0.273 28.472 28.738 0.012 0.000 0.898 69 Q HN 0.622 nan 8.270 nan 0.000 0.424 70 Q N -0.798 118.971 119.800 -0.053 0.000 2.297 70 Q HA -0.158 4.182 4.340 0.000 0.000 0.208 70 Q C 0.410 176.469 176.000 0.098 0.000 0.981 70 Q CA 1.431 57.191 55.803 -0.073 0.000 0.876 70 Q CB -0.104 28.472 28.738 -0.270 0.000 0.921 70 Q HN 0.524 nan 8.270 nan 0.000 0.446 71 W N 0.253 121.568 121.300 0.025 0.000 3.132 71 W HA 0.333 4.993 4.660 0.000 0.000 0.364 71 W C -0.212 176.314 176.519 0.012 0.000 1.129 71 W CA -0.223 57.137 57.345 0.025 0.000 1.815 71 W CB 0.179 29.652 29.460 0.020 0.000 1.099 71 W HN 0.084 nan 8.180 nan 0.000 0.605 72 Q N 0.150 120.073 119.800 0.205 0.000 2.457 72 Q HA -0.153 4.187 4.340 0.000 0.000 0.333 72 Q C -0.754 175.310 176.000 0.108 0.000 1.448 72 Q CA 0.746 56.623 55.803 0.123 0.000 0.891 72 Q CB -2.040 26.756 28.738 0.096 0.000 1.142 72 Q HN 0.045 nan 8.270 nan 0.000 0.375 73 V N 1.781 121.760 119.914 0.110 0.000 2.569 73 V HA 0.390 4.510 4.120 0.000 0.000 0.301 73 V C -1.699 174.440 176.094 0.075 0.000 1.044 73 V CA -1.366 60.984 62.300 0.084 0.000 0.874 73 V CB 2.143 34.019 31.823 0.088 0.000 1.002 73 V HN 0.200 nan 8.190 nan 0.000 0.424 74 P HA 0.177 nan 4.420 nan 0.000 0.268 74 P C -0.985 176.366 177.300 0.086 0.000 1.208 74 P CA -0.161 62.980 63.100 0.068 0.000 0.777 74 P CB 1.368 33.103 31.700 0.059 0.000 0.875 75 L N 3.105 124.388 121.223 0.100 0.000 2.504 75 L HA 0.290 4.631 4.340 0.000 0.000 0.265 75 L C -0.933 176.021 176.870 0.141 0.000 0.975 75 L CA -0.752 54.169 54.840 0.136 0.000 0.864 75 L CB 1.732 43.888 42.059 0.161 0.000 1.212 75 L HN 0.035 nan 8.230 nan 0.000 0.416 76 V N 5.272 125.277 119.914 0.151 0.000 2.649 76 V HA 0.414 4.534 4.120 0.000 0.000 0.292 76 V C -0.083 176.126 176.094 0.191 0.000 1.055 76 V CA -0.396 61.992 62.300 0.148 0.000 1.023 76 V CB 1.592 33.500 31.823 0.141 0.000 0.992 76 V HN 0.503 nan 8.190 nan 0.000 0.480 77 V N 3.699 123.717 119.914 0.172 0.000 2.315 77 V HA 0.284 4.404 4.120 0.000 0.000 0.265 77 V C -0.059 176.143 176.094 0.180 0.000 1.019 77 V CA -0.635 61.791 62.300 0.211 0.000 0.824 77 V CB 0.921 32.852 31.823 0.179 0.000 1.072 77 V HN 0.917 nan 8.190 nan 0.000 0.448 78 E N 2.428 122.740 120.200 0.186 0.000 2.376 78 E HA 0.229 4.579 4.350 0.000 0.000 0.266 78 E C 0.915 177.620 176.600 0.175 0.000 1.009 78 E CA 0.242 56.729 56.400 0.145 0.000 0.902 78 E CB 0.602 30.374 29.700 0.119 0.000 0.972 78 E HN 0.402 nan 8.360 nan 0.000 0.439 79 R N 2.691 123.265 120.500 0.123 0.000 2.466 79 R HA 0.159 4.499 4.340 0.000 0.000 0.279 79 R C -0.258 176.143 176.300 0.168 0.000 0.976 79 R CA -0.298 55.882 56.100 0.132 0.000 1.081 79 R CB 0.319 30.592 30.300 -0.045 0.000 1.215 79 R HN 0.335 nan 8.270 nan 0.000 0.546 80 V N 3.432 123.425 119.914 0.132 0.000 2.877 80 V HA -0.188 3.933 4.120 0.000 0.000 0.294 80 V C 0.453 176.631 176.094 0.140 0.000 1.280 80 V CA 0.933 63.292 62.300 0.098 0.000 1.372 80 V CB 0.070 31.917 31.823 0.041 0.000 0.867 80 V HN 0.349 nan 8.190 nan 0.000 0.513 81 Q N 5.371 125.231 119.800 0.101 0.000 2.305 81 Q HA 0.781 5.121 4.340 0.000 0.000 0.271 81 Q C -1.548 174.492 176.000 0.067 0.000 1.046 81 Q CA -1.123 54.743 55.803 0.106 0.000 0.798 81 Q CB 2.439 31.239 28.738 0.104 0.000 1.286 81 Q HN 0.582 nan 8.270 nan 0.000 0.435 82 L N 1.363 122.624 121.223 0.064 0.000 2.787 82 L HA 0.810 5.150 4.340 0.000 0.000 0.260 82 L C -2.235 174.663 176.870 0.046 0.000 0.921 82 L CA 0.448 55.314 54.840 0.044 0.000 0.984 82 L CB 2.009 44.085 42.059 0.028 0.000 1.519 82 L HN 1.015 nan 8.230 nan 0.000 0.452 83 A N 4.471 127.316 122.820 0.043 0.000 2.528 83 A HA 0.626 4.947 4.320 0.000 0.000 0.306 83 A C -1.190 176.418 177.584 0.041 0.000 1.042 83 A CA -0.416 51.648 52.037 0.046 0.000 0.950 83 A CB 0.988 20.017 19.000 0.049 0.000 1.374 83 A HN 0.628 nan 8.150 nan 0.000 0.387 84 Q N 1.745 121.570 119.800 0.041 0.000 2.506 84 Q HA 0.334 4.675 4.340 0.000 0.000 0.380 84 Q C 0.066 176.088 176.000 0.036 0.000 0.867 84 Q CA -0.016 55.807 55.803 0.034 0.000 1.093 84 Q CB 0.940 29.694 28.738 0.027 0.000 1.388 84 Q HN 0.984 nan 8.270 nan 0.000 0.400 85 E N -0.420 119.807 120.200 0.045 0.000 3.912 85 E HA -0.259 4.091 4.350 0.000 0.000 0.335 85 E C 0.607 177.233 176.600 0.043 0.000 0.654 85 E CA 1.676 58.102 56.400 0.044 0.000 1.177 85 E CB -1.101 28.617 29.700 0.030 0.000 1.650 85 E HN 0.699 nan 8.360 nan 0.000 0.430 86 G N -0.087 108.739 108.800 0.044 0.000 3.048 86 G HA2 0.351 4.311 3.960 0.000 0.000 0.151 86 G HA3 0.351 4.311 3.960 0.000 0.000 0.151 86 G C 0.063 174.997 174.900 0.056 0.000 1.803 86 G CA -0.050 45.074 45.100 0.040 0.000 1.047 86 G HN 0.166 nan 8.290 nan 0.000 0.513 87 L N 2.111 123.369 121.223 0.058 0.000 2.456 87 L HA 0.298 4.638 4.340 0.000 0.000 0.277 87 L C 1.668 178.614 176.870 0.127 0.000 1.124 87 L CA -0.445 54.442 54.840 0.078 0.000 0.880 87 L CB 0.044 42.140 42.059 0.062 0.000 1.192 87 L HN 0.559 nan 8.230 nan 0.000 0.463 88 G N 3.309 112.241 108.800 0.220 0.000 2.332 88 G HA2 -0.056 3.904 3.960 0.000 0.000 0.311 88 G HA3 -0.056 3.904 3.960 0.000 0.000 0.311 88 G C 1.184 176.199 174.900 0.191 0.000 1.392 88 G CA -0.229 45.089 45.100 0.363 0.000 1.110 88 G HN 0.646 nan 8.290 nan 0.000 0.594 89 I N 0.077 120.666 120.570 0.032 0.000 2.091 89 I HA -0.144 4.026 4.170 0.000 0.000 0.239 89 I C 1.791 177.936 176.117 0.047 0.000 1.061 89 I CA 1.257 62.531 61.300 -0.044 0.000 1.317 89 I CB -0.352 37.509 38.000 -0.231 0.000 1.031 89 I HN 0.266 nan 8.210 nan 0.000 0.401 90 E N 1.188 121.460 120.200 0.120 0.000 2.565 90 E HA 0.042 4.392 4.350 0.000 0.000 0.212 90 E C 0.671 177.334 176.600 0.104 0.000 1.341 90 E CA 0.657 57.131 56.400 0.123 0.000 1.236 90 E CB -0.170 29.634 29.700 0.173 0.000 1.246 90 E HN 0.588 nan 8.360 nan 0.000 0.446 91 A N -0.529 122.341 122.820 0.083 0.000 2.134 91 A HA -0.076 4.244 4.320 0.000 0.000 0.169 91 A C 1.762 179.373 177.584 0.045 0.000 1.465 91 A CA 0.433 52.509 52.037 0.065 0.000 1.855 91 A CB -0.276 18.768 19.000 0.074 0.000 1.812 91 A HN 0.150 nan 8.150 nan 0.000 0.866 92 Q N 1.092 120.921 119.800 0.048 0.000 1.985 92 Q HA -0.101 4.239 4.340 0.000 0.000 0.207 92 Q C 2.062 178.056 176.000 -0.010 0.000 0.996 92 Q CA 3.558 59.378 55.803 0.029 0.000 0.851 92 Q CB -0.651 28.112 28.738 0.043 0.000 0.921 92 Q HN 0.859 nan 8.270 nan 0.000 0.418 93 A N 0.432 123.232 122.820 -0.033 0.000 1.883 93 A HA -0.229 4.091 4.320 0.000 0.000 0.217 93 A C 2.126 179.587 177.584 -0.206 0.000 1.186 93 A CA 1.812 53.751 52.037 -0.163 0.000 0.624 93 A CB -0.672 18.242 19.000 -0.143 0.000 0.822 93 A HN 0.469 nan 8.150 nan 0.000 0.444 94 R N -0.595 119.860 120.500 -0.076 0.000 2.133 94 R HA -0.216 4.124 4.340 0.000 0.000 0.247 94 R C 2.472 178.841 176.300 0.115 0.000 1.151 94 R CA 1.873 57.990 56.100 0.029 0.000 0.971 94 R CB -0.370 30.000 30.300 0.117 0.000 0.866 94 R HN 0.713 nan 8.270 nan 0.000 0.447 95 Q N -0.261 119.571 119.800 0.052 0.000 2.020 95 Q HA -0.063 4.277 4.340 0.000 0.000 0.198 95 Q C 2.314 178.321 176.000 0.011 0.000 0.974 95 Q CA 1.315 57.162 55.803 0.073 0.000 0.829 95 Q CB -0.147 28.616 28.738 0.042 0.000 0.894 95 Q HN 0.355 nan 8.270 nan 0.000 0.433 96 A N 1.505 124.281 122.820 -0.074 0.000 1.917 96 A HA -0.251 4.069 4.320 0.000 0.000 0.219 96 A C 2.075 179.514 177.584 -0.242 0.000 1.182 96 A CA 1.621 53.585 52.037 -0.122 0.000 0.633 96 A CB -0.559 18.361 19.000 -0.133 0.000 0.819 96 A HN 0.212 nan 8.150 nan 0.000 0.448 97 R N -1.841 118.410 120.500 -0.416 0.000 2.070 97 R HA -0.156 4.184 4.340 0.000 0.000 0.233 97 R C 1.990 177.637 176.300 -1.090 0.000 1.137 97 R CA 1.933 57.554 56.100 -0.799 0.000 0.945 97 R CB -0.440 29.318 30.300 -0.902 0.000 0.845 97 R HN 0.618 nan 8.270 nan 0.000 0.430 98 Y N 0.804 120.781 120.300 -0.539 0.000 2.333 98 Y HA -0.197 4.353 4.550 0.000 0.000 0.290 98 Y C 2.543 178.540 175.900 0.162 0.000 1.144 98 Y CA 1.461 59.480 58.100 -0.135 0.000 1.228 98 Y CB -0.014 38.527 38.460 0.135 0.000 0.985 98 Y HN 0.254 nan 8.280 nan 0.000 0.542 99 Q N -0.578 119.294 119.800 0.121 0.000 2.049 99 Q HA -0.140 4.200 4.340 0.000 0.000 0.198 99 Q C 2.632 178.674 176.000 0.070 0.000 0.971 99 Q CA 1.129 56.999 55.803 0.112 0.000 0.833 99 Q CB -0.327 28.438 28.738 0.045 0.000 0.896 99 Q HN 0.508 nan 8.270 nan 0.000 0.434 100 A N 0.579 123.357 122.820 -0.069 0.000 1.940 100 A HA -0.185 4.135 4.320 0.000 0.000 0.219 100 A C 1.841 179.503 177.584 0.131 0.000 1.176 100 A CA 1.248 53.263 52.037 -0.036 0.000 0.631 100 A CB -0.934 17.972 19.000 -0.156 0.000 0.814 100 A HN 0.378 nan 8.150 nan 0.000 0.446 101 F N -0.169 119.840 119.950 0.099 0.000 2.113 101 F HA -0.131 4.396 4.527 0.000 0.000 0.297 101 F C 2.930 178.877 175.800 0.245 0.000 1.103 101 F CA 0.388 58.471 58.000 0.138 0.000 1.248 101 F CB -0.265 38.787 39.000 0.088 0.000 0.999 101 F HN 0.316 nan 8.300 nan 0.000 0.475 102 A N 0.577 123.701 122.820 0.505 0.000 1.865 102 A HA -0.234 4.086 4.320 0.000 0.000 0.217 102 A C 2.231 179.913 177.584 0.164 0.000 1.191 102 A CA 1.731 53.933 52.037 0.275 0.000 0.623 102 A CB -0.937 18.130 19.000 0.111 0.000 0.826 102 A HN 0.264 nan 8.150 nan 0.000 0.444 103 R N -0.271 120.314 120.500 0.140 0.000 2.113 103 R HA -0.149 4.191 4.340 0.000 0.000 0.231 103 R C 1.497 177.862 176.300 0.110 0.000 1.129 103 R CA 2.165 58.324 56.100 0.099 0.000 0.915 103 R CB -0.906 29.445 30.300 0.084 0.000 0.837 103 R HN 0.596 nan 8.270 nan 0.000 0.430 104 T N -0.021 114.616 114.554 0.139 0.000 3.667 104 T HA 0.220 4.570 4.350 0.000 0.000 0.240 104 T C 0.013 174.794 174.700 0.136 0.000 0.919 104 T CA -0.229 61.950 62.100 0.132 0.000 0.928 104 T CB -0.156 68.800 68.868 0.146 0.000 1.151 104 T HN 0.006 nan 8.240 nan 0.000 0.644 105 L N 1.644 122.944 121.223 0.129 0.000 2.349 105 L HA 0.561 4.901 4.340 0.000 0.000 0.278 105 L C -0.545 176.375 176.870 0.084 0.000 0.996 105 L CA -1.449 53.462 54.840 0.119 0.000 0.825 105 L CB 1.348 43.504 42.059 0.163 0.000 1.243 105 L HN 0.256 nan 8.230 nan 0.000 0.412 106 L N 6.049 127.314 121.223 0.070 0.000 2.464 106 L HA 0.407 4.748 4.340 0.000 0.000 0.264 106 L C -1.807 175.092 176.870 0.049 0.000 1.199 106 L CA -1.649 53.223 54.840 0.054 0.000 0.818 106 L CB 0.335 42.423 42.059 0.048 0.000 1.102 106 L HN 0.532 nan 8.230 nan 0.000 0.473 107 P HA 0.126 nan 4.420 nan 0.000 0.282 107 P C 0.476 177.795 177.300 0.031 0.000 1.274 107 P CA 0.276 63.395 63.100 0.032 0.000 0.770 107 P CB 1.368 33.083 31.700 0.024 0.000 0.867 108 G N 2.211 111.030 108.800 0.032 0.000 2.194 108 G HA2 -0.212 3.748 3.960 0.000 0.000 0.236 108 G HA3 -0.212 3.748 3.960 0.000 0.000 0.236 108 G C 0.062 174.985 174.900 0.039 0.000 0.987 108 G CA -0.175 44.944 45.100 0.031 0.000 0.635 108 G HN 0.633 nan 8.290 nan 0.000 0.520 109 E N 0.495 120.721 120.200 0.044 0.000 2.283 109 E HA 0.510 4.860 4.350 0.000 0.000 0.278 109 E C -0.140 176.489 176.600 0.050 0.000 1.027 109 E CA -0.550 55.880 56.400 0.049 0.000 0.843 109 E CB 1.249 30.980 29.700 0.051 0.000 1.062 109 E HN 0.078 nan 8.360 nan 0.000 0.401 110 V N 5.758 125.696 119.914 0.040 0.000 2.383 110 V HA 0.139 4.259 4.120 0.000 0.000 0.275 110 V C -0.048 176.044 176.094 -0.003 0.000 1.036 110 V CA -0.643 61.672 62.300 0.025 0.000 0.889 110 V CB 1.137 32.964 31.823 0.007 0.000 0.985 110 V HN 0.593 nan 8.190 nan 0.000 0.459 111 L N 7.434 128.657 121.223 0.001 0.000 2.367 111 L HA 0.511 4.851 4.340 0.000 0.000 0.275 111 L C -0.317 176.475 176.870 -0.131 0.000 1.129 111 L CA 0.706 55.499 54.840 -0.079 0.000 0.839 111 L CB 1.173 43.190 42.059 -0.071 0.000 1.133 111 L HN 0.425 nan 8.230 nan 0.000 0.453 112 V N 4.343 124.149 119.914 -0.181 0.000 2.588 112 V HA 0.632 4.752 4.120 0.000 0.000 0.304 112 V C 0.062 176.028 176.094 -0.214 0.000 1.042 112 V CA -0.165 62.027 62.300 -0.181 0.000 0.877 112 V CB 2.049 33.767 31.823 -0.174 0.000 0.996 112 V HN 0.968 nan 8.190 nan 0.000 0.425 113 T N 1.399 115.842 114.554 -0.185 0.000 2.932 113 T HA 0.756 5.106 4.350 0.000 0.000 0.289 113 T C 0.128 174.763 174.700 -0.108 0.000 1.039 113 T CA -0.255 61.746 62.100 -0.166 0.000 1.024 113 T CB 2.108 70.888 68.868 -0.147 0.000 1.090 113 T HN 0.894 nan 8.240 nan 0.000 0.496 114 A N 1.509 124.287 122.820 -0.071 0.000 3.181 114 A HA 0.389 4.709 4.320 0.000 0.000 0.293 114 A C 0.347 177.929 177.584 -0.003 0.000 1.346 114 A CA -0.615 51.400 52.037 -0.037 0.000 1.018 114 A CB -0.712 18.284 19.000 -0.007 0.000 1.093 114 A HN 0.791 nan 8.150 nan 0.000 0.629 115 Q N 1.072 120.849 119.800 -0.038 0.000 2.279 115 Q HA 0.453 4.793 4.340 0.000 0.000 0.256 115 Q C -0.083 175.890 176.000 -0.045 0.000 0.937 115 Q CA -0.140 55.619 55.803 -0.074 0.000 0.933 115 Q CB 0.754 29.450 28.738 -0.069 0.000 1.189 115 Q HN 0.901 nan 8.270 nan 0.000 0.417 116 H N -0.480 118.554 119.070 -0.060 0.000 2.858 116 H HA 0.299 4.855 4.556 0.000 0.000 0.318 116 H C 0.497 175.795 175.328 -0.050 0.000 1.419 116 H CA -1.049 54.958 56.048 -0.067 0.000 1.373 116 H CB 0.174 29.887 29.762 -0.081 0.000 1.915 116 H HN 0.455 nan 8.280 nan 0.000 0.704 117 L N 0.416 121.719 121.223 0.133 0.000 2.030 117 L HA -0.279 4.061 4.340 0.000 0.000 0.222 117 L C 1.133 178.011 176.870 0.013 0.000 1.082 117 L CA 2.347 57.220 54.840 0.055 0.000 0.785 117 L CB -1.191 40.907 42.059 0.064 0.000 0.895 117 L HN 0.830 nan 8.230 nan 0.000 0.439 118 D N -0.524 119.911 120.400 0.057 0.000 2.182 118 D HA -0.178 4.462 4.640 0.000 0.000 0.201 118 D C 1.779 178.021 176.300 -0.096 0.000 0.986 118 D CA 1.445 55.439 54.000 -0.010 0.000 0.847 118 D CB -0.208 40.618 40.800 0.044 0.000 0.942 118 D HN 0.533 nan 8.370 nan 0.000 0.467 119 D N -0.140 120.130 120.400 -0.216 0.000 2.183 119 D HA -0.095 4.545 4.640 0.000 0.000 0.203 119 D C 2.012 178.278 176.300 -0.057 0.000 0.969 119 D CA 0.506 54.416 54.000 -0.149 0.000 0.842 119 D CB -0.070 40.607 40.800 -0.206 0.000 0.957 119 D HN 0.189 nan 8.370 nan 0.000 0.484 120 Q N 0.399 120.170 119.800 -0.049 0.000 2.084 120 Q HA -0.115 4.225 4.340 0.000 0.000 0.202 120 Q C 2.375 178.397 176.000 0.036 0.000 0.978 120 Q CA 0.556 56.356 55.803 -0.005 0.000 0.844 120 Q CB -0.740 27.984 28.738 -0.024 0.000 0.898 120 Q HN 0.316 nan 8.270 nan 0.000 0.426 121 C N 0.988 120.292 119.300 0.007 0.000 2.453 121 C HA -0.117 4.343 4.460 0.000 0.000 0.277 121 C C 2.406 177.463 174.990 0.112 0.000 1.262 121 C CA 0.894 59.929 59.018 0.028 0.000 1.718 121 C CB -0.608 27.148 27.740 0.026 0.000 2.031 121 C HN 0.528 nan 8.230 nan 0.000 0.480 122 E N -0.246 119.997 120.200 0.072 0.000 2.077 122 E HA -0.172 4.178 4.350 0.000 0.000 0.193 122 E C 2.216 178.865 176.600 0.083 0.000 0.989 122 E CA 1.909 58.353 56.400 0.073 0.000 0.800 122 E CB -0.267 29.453 29.700 0.033 0.000 0.746 122 E HN 0.629 nan 8.360 nan 0.000 0.452 123 T N 0.758 115.353 114.554 0.069 0.000 2.746 123 T HA -0.158 4.193 4.350 0.000 0.000 0.267 123 T C 1.452 176.194 174.700 0.071 0.000 1.039 123 T CA 0.964 63.094 62.100 0.051 0.000 1.142 123 T CB -0.357 68.528 68.868 0.028 0.000 0.866 123 T HN 0.145 nan 8.240 nan 0.000 0.444 124 F N 1.343 121.279 119.950 -0.022 0.000 2.046 124 F HA -0.114 4.413 4.527 0.000 0.000 0.297 124 F C 1.940 177.739 175.800 -0.001 0.000 1.123 124 F CA 1.068 59.053 58.000 -0.024 0.000 1.199 124 F CB -0.382 38.591 39.000 -0.046 0.000 0.972 124 F HN -0.015 nan 8.300 nan 0.000 0.474 125 L N 0.353 121.769 121.223 0.321 0.000 2.013 125 L HA -0.275 4.065 4.340 0.000 0.000 0.212 125 L C 2.378 179.300 176.870 0.088 0.000 1.073 125 L CA 1.706 56.677 54.840 0.218 0.000 0.753 125 L CB -1.313 40.858 42.059 0.187 0.000 0.890 125 L HN 0.229 nan 8.230 nan 0.000 0.432 126 L N -1.402 119.858 121.223 0.062 0.000 2.079 126 L HA -0.234 4.106 4.340 0.000 0.000 0.210 126 L C 2.597 179.455 176.870 -0.020 0.000 1.081 126 L CA 1.202 56.060 54.840 0.030 0.000 0.752 126 L CB -0.731 41.348 42.059 0.032 0.000 0.896 126 L HN 0.308 nan 8.230 nan 0.000 0.433 127 A N -0.169 122.603 122.820 -0.081 0.000 1.898 127 A HA -0.198 4.122 4.320 0.000 0.000 0.216 127 A C 2.299 179.790 177.584 -0.156 0.000 1.181 127 A CA 1.326 53.273 52.037 -0.150 0.000 0.620 127 A CB -0.647 18.195 19.000 -0.264 0.000 0.819 127 A HN 0.381 nan 8.150 nan 0.000 0.442 128 L N -0.014 121.108 121.223 -0.167 0.000 1.989 128 L HA -0.216 4.125 4.340 0.000 0.000 0.211 128 L C 2.430 179.285 176.870 -0.025 0.000 1.071 128 L CA 2.350 57.131 54.840 -0.098 0.000 0.749 128 L CB -0.293 41.773 42.059 0.012 0.000 0.890 128 L HN 0.566 nan 8.230 nan 0.000 0.431 129 K N -0.241 120.163 120.400 0.007 0.000 2.574 129 K HA -0.186 4.134 4.320 0.000 0.000 0.193 129 K C 1.725 178.331 176.600 0.010 0.000 1.035 129 K CA 1.091 57.394 56.287 0.026 0.000 0.982 129 K CB -0.298 32.234 32.500 0.053 0.000 0.795 129 K HN 0.257 nan 8.250 nan 0.000 0.491 130 R N 0.019 120.510 120.500 -0.015 0.000 2.404 130 R HA 0.141 4.481 4.340 0.000 0.000 0.237 130 R C 0.259 176.543 176.300 -0.027 0.000 0.907 130 R CA 0.593 56.682 56.100 -0.019 0.000 1.063 130 R CB 0.250 30.532 30.300 -0.031 0.000 1.134 130 R HN 0.388 nan 8.270 nan 0.000 0.529 131 G N 1.863 110.642 108.800 -0.034 0.000 2.273 131 G HA2 -0.321 3.639 3.960 0.000 0.000 0.280 131 G HA3 -0.321 3.639 3.960 0.000 0.000 0.280 131 G C -0.126 174.742 174.900 -0.053 0.000 1.047 131 G CA 0.621 45.700 45.100 -0.035 0.000 0.869 131 G HN 0.496 nan 8.290 nan 0.000 0.502 132 S N -0.741 114.908 115.700 -0.084 0.000 2.617 132 S HA 0.784 5.254 4.470 0.000 0.000 0.269 132 S C 1.103 175.638 174.600 -0.109 0.000 1.292 132 S CA 0.194 58.337 58.200 -0.095 0.000 1.010 132 S CB 2.100 65.230 63.200 -0.116 0.000 0.944 132 S HN 1.525 nan 8.310 nan 0.000 0.536 133 G N 0.690 109.437 108.800 -0.088 0.000 2.508 133 G HA2 0.451 4.411 3.960 0.000 0.000 0.278 133 G HA3 0.451 4.411 3.960 0.000 0.000 0.278 133 G C -1.875 172.966 174.900 -0.098 0.000 1.389 133 G CA -1.653 43.400 45.100 -0.079 0.000 1.050 133 G HN 0.549 nan 8.290 nan 0.000 0.522 134 P HA -0.153 nan 4.420 nan 0.000 0.216 134 P C 2.101 179.359 177.300 -0.071 0.000 1.153 134 P CA 2.347 65.410 63.100 -0.061 0.000 0.858 134 P CB 0.085 31.764 31.700 -0.036 0.000 0.789 135 A N -0.262 122.517 122.820 -0.069 0.000 1.883 135 A HA -0.110 4.210 4.320 0.000 0.000 0.217 135 A C 2.472 180.003 177.584 -0.088 0.000 1.186 135 A CA 2.167 54.162 52.037 -0.070 0.000 0.624 135 A CB -1.873 17.087 19.000 -0.066 0.000 0.822 135 A HN 0.302 nan 8.150 nan 0.000 0.444 136 G N -1.016 107.720 108.800 -0.107 0.000 2.534 136 G HA2 0.110 4.070 3.960 0.000 0.000 0.217 136 G HA3 0.110 4.070 3.960 0.000 0.000 0.217 136 G C 1.220 176.006 174.900 -0.190 0.000 1.128 136 G CA 0.608 45.631 45.100 -0.128 0.000 0.784 136 G HN 0.425 nan 8.290 nan 0.000 0.542 137 L N 1.013 122.097 121.223 -0.231 0.000 2.611 137 L HA 0.134 4.474 4.340 0.000 0.000 0.229 137 L C 1.981 178.754 176.870 -0.161 0.000 1.137 137 L CA -0.071 54.525 54.840 -0.406 0.000 0.901 137 L CB 0.431 42.174 42.059 -0.527 0.000 1.098 137 L HN 0.065 nan 8.230 nan 0.000 0.456 138 S N 0.181 115.836 115.700 -0.075 0.000 2.607 138 S HA 0.286 4.756 4.470 0.000 0.000 0.224 138 S C 1.156 175.762 174.600 0.010 0.000 0.969 138 S CA 0.338 58.536 58.200 -0.004 0.000 0.927 138 S CB -0.177 63.008 63.200 -0.026 0.000 0.772 138 S HN 0.507 nan 8.310 nan 0.000 0.533 142 E N -0.199 119.972 120.200 -0.047 0.000 2.204 142 E HA 0.049 4.400 4.350 0.000 0.000 0.195 142 E C -0.124 176.442 176.600 -0.058 0.000 0.990 142 E CA 1.618 57.983 56.400 -0.058 0.000 0.821 142 E CB 0.100 29.764 29.700 -0.061 0.000 0.750 142 E HN 0.526 nan 8.360 nan 0.000 0.477 143 V N 0.933 120.820 119.914 -0.046 0.000 2.612 143 V HA 0.252 4.372 4.120 0.000 0.000 0.301 143 V C -0.568 175.512 176.094 -0.025 0.000 1.059 143 V CA -0.599 61.678 62.300 -0.037 0.000 0.886 143 V CB 1.722 33.523 31.823 -0.037 0.000 1.007 143 V HN 0.199 nan 8.190 nan 0.000 0.426 144 S N 2.762 118.456 115.700 -0.010 0.000 2.704 144 S HA 0.738 5.208 4.470 0.000 0.000 0.296 144 S C -0.956 173.668 174.600 0.040 0.000 1.138 144 S CA -1.049 57.153 58.200 0.004 0.000 0.875 144 S CB 2.362 65.561 63.200 -0.000 0.000 1.151 144 S HN 0.619 nan 8.310 nan 0.000 0.500 145 E N 0.229 120.456 120.200 0.045 0.000 2.197 145 E HA 0.561 4.911 4.350 0.000 0.000 0.281 145 E C -1.711 174.983 176.600 0.157 0.000 0.995 145 E CA -0.343 56.098 56.400 0.068 0.000 0.808 145 E CB 1.261 30.968 29.700 0.013 0.000 1.093 145 E HN 0.485 nan 8.360 nan 0.000 0.394 146 F N 1.552 121.503 119.950 0.003 0.000 2.588 146 F HA 0.413 4.940 4.527 0.000 0.000 0.318 146 F C -0.512 175.315 175.800 0.044 0.000 1.155 146 F CA -0.486 57.532 58.000 0.030 0.000 0.967 146 F CB 1.413 40.454 39.000 0.069 0.000 1.236 146 F HN 0.617 nan 8.300 nan 0.000 0.455 147 A N 4.237 126.645 122.820 -0.687 0.000 2.312 147 A HA 0.177 4.497 4.320 0.000 0.000 0.286 147 A C 1.712 179.199 177.584 -0.161 0.000 1.425 147 A CA 1.713 53.471 52.037 -0.465 0.000 0.748 147 A CB -1.985 16.685 19.000 -0.550 0.000 1.126 147 A HN 2.749 nan 8.150 nan 0.000 0.368 148 G N -1.685 107.050 108.800 -0.108 0.000 2.609 148 G HA2 -0.183 3.777 3.960 0.000 0.000 0.235 148 G HA3 -0.183 3.777 3.960 0.000 0.000 0.235 148 G C 1.329 176.224 174.900 -0.008 0.000 1.177 148 G CA 1.800 46.873 45.100 -0.044 0.000 0.707 148 G HN 2.393 nan 8.290 nan 0.000 0.513 149 T N 0.105 114.672 114.554 0.021 0.000 2.893 149 T HA 0.679 5.029 4.350 0.000 0.000 0.281 149 T C 0.524 175.274 174.700 0.084 0.000 1.027 149 T CA -0.045 62.086 62.100 0.053 0.000 0.953 149 T CB 0.670 69.579 68.868 0.069 0.000 1.434 149 T HN 0.467 nan 8.240 nan 0.000 0.597 150 R N 0.274 120.820 120.500 0.076 0.000 2.536 150 R HA 0.616 4.956 4.340 0.000 0.000 0.279 150 R C -1.149 175.202 176.300 0.086 0.000 1.001 150 R CA -0.840 55.302 56.100 0.070 0.000 1.027 150 R CB 0.926 31.241 30.300 0.026 0.000 1.096 150 R HN 0.311 nan 8.270 nan 0.000 0.502 151 L N 3.906 125.169 121.223 0.067 0.000 2.318 151 L HA 0.452 4.792 4.340 0.000 0.000 0.277 151 L C -1.089 175.758 176.870 -0.037 0.000 1.008 151 L CA -0.262 54.583 54.840 0.009 0.000 0.846 151 L CB 0.855 42.912 42.059 -0.004 0.000 1.220 151 L HN 0.530 nan 8.230 nan 0.000 0.423 152 I N 4.909 125.438 120.570 -0.069 0.000 2.385 152 I HA 0.448 4.618 4.170 0.000 0.000 0.294 152 I C 0.256 176.305 176.117 -0.113 0.000 0.988 152 I CA -0.487 60.758 61.300 -0.092 0.000 1.265 152 I CB 0.950 38.881 38.000 -0.114 0.000 1.388 152 I HN 0.496 nan 8.210 nan 0.000 0.480 153 R N 5.918 126.355 120.500 -0.106 0.000 2.494 153 R HA 0.271 4.611 4.340 0.000 0.000 0.284 153 R C -2.237 173.993 176.300 -0.117 0.000 1.525 153 R CA -1.411 54.626 56.100 -0.105 0.000 1.460 153 R CB 1.032 31.285 30.300 -0.079 0.000 1.134 153 R HN 0.360 nan 8.270 nan 0.000 0.592 154 P HA -0.165 nan 4.420 nan 0.000 0.210 154 P C 0.823 178.035 177.300 -0.147 0.000 1.189 154 P CA 1.124 64.120 63.100 -0.173 0.000 0.920 154 P CB 0.209 31.767 31.700 -0.237 0.000 0.782 155 L N -1.044 120.092 121.223 -0.144 0.000 2.834 155 L HA -0.080 4.260 4.340 0.000 0.000 0.252 155 L C 1.949 178.792 176.870 -0.045 0.000 1.152 155 L CA -0.062 54.710 54.840 -0.113 0.000 0.898 155 L CB -0.927 41.065 42.059 -0.111 0.000 1.078 155 L HN -0.003 nan 8.230 nan 0.000 0.439 156 L N 0.623 121.812 121.223 -0.057 0.000 2.131 156 L HA -0.154 4.186 4.340 0.000 0.000 0.210 156 L C 2.470 179.323 176.870 -0.028 0.000 1.092 156 L CA 1.985 56.802 54.840 -0.037 0.000 0.759 156 L CB -0.413 41.614 42.059 -0.053 0.000 0.903 156 L HN 0.287 nan 8.230 nan 0.000 0.435 157 A N -1.684 121.109 122.820 -0.046 0.000 2.147 157 A HA 0.135 4.455 4.320 0.000 0.000 0.211 157 A C 1.061 178.618 177.584 -0.044 0.000 1.160 157 A CA -0.139 51.869 52.037 -0.047 0.000 0.781 157 A CB -0.181 18.784 19.000 -0.058 0.000 0.842 157 A HN 0.245 nan 8.150 nan 0.000 0.475 158 R N 1.485 121.954 120.500 -0.052 0.000 2.543 158 R HA 0.360 4.700 4.340 0.000 0.000 0.277 158 R C 0.489 176.756 176.300 -0.055 0.000 1.074 158 R CA 0.568 56.624 56.100 -0.073 0.000 1.076 158 R CB 0.179 30.407 30.300 -0.121 0.000 0.993 158 R HN 0.429 nan 8.270 nan 0.000 0.459 159 T N -1.376 113.131 114.554 -0.079 0.000 2.913 159 T HA 0.245 4.595 4.350 0.000 0.000 0.287 159 T C 1.167 175.766 174.700 -0.169 0.000 1.008 159 T CA -0.871 61.186 62.100 -0.071 0.000 1.067 159 T CB 1.342 70.168 68.868 -0.070 0.000 0.996 159 T HN 0.611 nan 8.240 nan 0.000 0.513 160 R N 1.203 121.599 120.500 -0.174 0.000 2.127 160 R HA -0.067 4.273 4.340 0.000 0.000 0.238 160 R C 2.444 178.653 176.300 -0.151 0.000 1.134 160 R CA 1.828 57.765 56.100 -0.272 0.000 0.975 160 R CB -1.133 29.105 30.300 -0.104 0.000 0.865 160 R HN 0.917 nan 8.270 nan 0.000 0.447 161 G N 0.555 109.308 108.800 -0.079 0.000 2.480 161 G HA2 -0.306 3.654 3.960 0.000 0.000 0.216 161 G HA3 -0.306 3.654 3.960 0.000 0.000 0.216 161 G C 1.074 175.951 174.900 -0.040 0.000 1.200 161 G CA 1.060 46.136 45.100 -0.040 0.000 0.782 161 G HN 0.446 nan 8.290 nan 0.000 0.554 162 E N -0.242 119.926 120.200 -0.055 0.000 2.097 162 E HA -0.151 4.199 4.350 0.000 0.000 0.196 162 E C 2.521 179.113 176.600 -0.014 0.000 1.000 162 E CA 0.858 57.243 56.400 -0.025 0.000 0.804 162 E CB -0.191 29.477 29.700 -0.053 0.000 0.740 162 E HN 0.260 nan 8.360 nan 0.000 0.454 163 L N 0.069 121.222 121.223 -0.116 0.000 2.093 163 L HA -0.150 4.191 4.340 0.000 0.000 0.208 163 L C 2.267 179.079 176.870 -0.098 0.000 1.085 163 L CA 1.137 55.886 54.840 -0.151 0.000 0.755 163 L CB -0.533 41.331 42.059 -0.325 0.000 0.904 163 L HN 0.026 nan 8.230 nan 0.000 0.435 164 V N -0.702 119.153 119.914 -0.099 0.000 2.358 164 V HA -0.316 3.804 4.120 0.000 0.000 0.246 164 V C 2.507 178.639 176.094 0.063 0.000 1.047 164 V CA 1.768 64.038 62.300 -0.050 0.000 1.035 164 V CB -0.550 31.290 31.823 0.027 0.000 0.658 164 V HN 0.604 nan 8.190 nan 0.000 0.452 165 Q N -1.084 118.765 119.800 0.082 0.000 2.226 165 Q HA -0.251 4.089 4.340 0.000 0.000 0.204 165 Q C 2.086 178.198 176.000 0.186 0.000 0.975 165 Q CA 2.031 57.902 55.803 0.114 0.000 0.866 165 Q CB -0.182 28.613 28.738 0.096 0.000 0.915 165 Q HN 0.810 nan 8.270 nan 0.000 0.440 166 W N 0.265 121.589 121.300 0.040 0.000 2.560 166 W HA 0.087 4.747 4.660 0.000 0.000 0.303 166 W C 1.954 178.578 176.519 0.174 0.000 1.151 166 W CA 1.310 58.736 57.345 0.134 0.000 1.426 166 W CB -0.691 28.804 29.460 0.059 0.000 1.135 166 W HN 0.224 nan 8.180 nan 0.000 0.522 167 A N 1.427 124.474 122.820 0.379 0.000 2.042 167 A HA -0.280 4.040 4.320 0.000 0.000 0.222 167 A C 2.077 179.802 177.584 0.236 0.000 1.167 167 A CA 2.355 54.532 52.037 0.233 0.000 0.649 167 A CB -0.913 17.985 19.000 -0.170 0.000 0.809 167 A HN 0.461 nan 8.150 nan 0.000 0.457 168 R N -0.900 119.720 120.500 0.200 0.000 2.100 168 R HA -0.028 4.312 4.340 0.000 0.000 0.220 168 R C 2.313 178.648 176.300 0.057 0.000 1.091 168 R CA 1.213 57.423 56.100 0.184 0.000 0.986 168 R CB -0.308 30.096 30.300 0.172 0.000 0.888 168 R HN 0.651 nan 8.270 nan 0.000 0.444 169 Q N -0.655 119.135 119.800 -0.017 0.000 2.364 169 Q HA -0.156 4.184 4.340 0.000 0.000 0.207 169 Q C 0.069 175.802 176.000 -0.444 0.000 0.970 169 Q CA 1.207 56.874 55.803 -0.226 0.000 0.888 169 Q CB 0.263 28.822 28.738 -0.299 0.000 0.951 169 Q HN 0.476 nan 8.270 nan 0.000 0.469 170 Y N 0.150 120.303 120.300 -0.246 0.000 2.660 170 Y HA 0.185 4.735 4.550 0.000 0.000 0.254 170 Y C -0.743 175.092 175.900 -0.109 0.000 1.176 170 Y CA -0.525 57.431 58.100 -0.239 0.000 1.195 170 Y CB 0.556 38.757 38.460 -0.431 0.000 1.190 170 Y HN 0.132 nan 8.280 nan 0.000 0.535 171 D N 0.669 121.107 120.400 0.063 0.000 2.704 171 D HA -0.213 4.427 4.640 0.000 0.000 0.232 171 D C -0.860 175.536 176.300 0.161 0.000 1.183 171 D CA 0.702 54.763 54.000 0.101 0.000 0.647 171 D CB -1.162 39.669 40.800 0.052 0.000 1.013 171 D HN 0.318 nan 8.370 nan 0.000 0.415 172 L N -0.159 121.211 121.223 0.245 0.000 2.350 172 L HA 0.533 4.873 4.340 0.000 0.000 0.275 172 L C 0.871 177.999 176.870 0.429 0.000 1.099 172 L CA -0.626 54.410 54.840 0.326 0.000 0.808 172 L CB 0.874 43.160 42.059 0.379 0.000 1.149 172 L HN -0.102 nan 8.230 nan 0.000 0.442 173 R N 2.096 122.792 120.500 0.326 0.000 2.346 173 R HA 0.533 4.873 4.340 0.000 0.000 0.311 173 R C -1.212 175.366 176.300 0.463 0.000 0.983 173 R CA -0.323 55.936 56.100 0.264 0.000 0.880 173 R CB 1.093 31.455 30.300 0.104 0.000 1.100 173 R HN 0.606 nan 8.270 nan 0.000 0.453 174 W N 3.762 125.158 121.300 0.160 0.000 3.083 174 W HA 0.660 5.320 4.660 0.000 0.000 0.333 174 W C -0.950 175.551 176.519 -0.029 0.000 1.217 174 W CA -1.361 56.036 57.345 0.086 0.000 1.170 174 W CB 0.673 30.174 29.460 0.069 0.000 1.437 174 W HN 0.517 nan 8.180 nan 0.000 0.557 175 I N 0.715 121.241 120.570 -0.072 0.000 3.078 175 I HA 0.763 4.934 4.170 0.000 0.000 0.318 175 I C -0.569 175.517 176.117 -0.052 0.000 1.016 175 I CA -1.138 60.055 61.300 -0.179 0.000 1.130 175 I CB 1.885 39.701 38.000 -0.306 0.000 1.397 175 I HN 0.760 nan 8.210 nan 0.000 0.570 176 E N 1.113 121.255 120.200 -0.096 0.000 2.635 176 E HA 0.110 4.460 4.350 0.000 0.000 0.388 176 E C -1.896 174.692 176.600 -0.020 0.000 1.027 176 E CA -0.526 55.852 56.400 -0.036 0.000 0.713 176 E CB 0.172 29.947 29.700 0.125 0.000 1.536 176 E HN 0.676 nan 8.360 nan 0.000 0.388 177 D N 3.597 123.970 120.400 -0.045 0.000 2.467 177 D HA 0.016 4.656 4.640 0.000 0.000 0.220 177 D C 0.792 177.118 176.300 0.043 0.000 1.103 177 D CA -0.146 53.897 54.000 0.072 0.000 0.886 177 D CB 1.145 42.113 40.800 0.279 0.000 1.025 177 D HN 0.700 nan 8.370 nan 0.000 0.514 178 E N 2.334 122.561 120.200 0.045 0.000 2.208 178 E HA -0.273 4.077 4.350 0.000 0.000 0.202 178 E C 0.346 176.978 176.600 0.053 0.000 1.014 178 E CA 1.409 57.837 56.400 0.046 0.000 0.819 178 E CB -0.036 29.697 29.700 0.055 0.000 0.735 178 E HN 0.591 nan 8.360 nan 0.000 0.469 179 S N 0.236 115.977 115.700 0.068 0.000 3.667 179 S HA -0.232 4.238 4.470 0.000 0.000 0.405 179 S C 0.369 175.009 174.600 0.067 0.000 0.913 179 S CA 0.613 58.853 58.200 0.068 0.000 1.288 179 S CB -2.469 60.767 63.200 0.060 0.000 0.905 179 S HN 0.468 nan 8.310 nan 0.000 0.550 180 N N 1.970 120.711 118.700 0.069 0.000 2.058 180 N HA -0.219 4.521 4.740 0.000 0.000 0.200 180 N C 1.496 177.061 175.510 0.092 0.000 1.033 180 N CA 2.066 55.162 53.050 0.077 0.000 0.880 180 N CB -0.486 38.041 38.487 0.066 0.000 1.069 180 N HN 0.715 nan 8.380 nan 0.000 0.461 181 Q N 0.954 120.804 119.800 0.083 0.000 2.615 181 Q HA -0.078 4.262 4.340 0.000 0.000 0.220 181 Q C 0.038 176.132 176.000 0.157 0.000 0.981 181 Q CA 0.764 56.626 55.803 0.099 0.000 0.939 181 Q CB -0.457 28.328 28.738 0.078 0.000 0.982 181 Q HN 0.442 nan 8.270 nan 0.000 0.550 182 D N -0.366 120.129 120.400 0.158 0.000 2.325 182 D HA -0.055 4.585 4.640 0.000 0.000 0.225 182 D C 0.993 177.524 176.300 0.384 0.000 1.096 182 D CA 0.016 54.161 54.000 0.242 0.000 0.844 182 D CB 0.137 40.951 40.800 0.023 0.000 0.925 182 D HN 0.115 nan 8.370 nan 0.000 0.513 183 D N 0.375 120.922 120.400 0.244 0.000 2.384 183 D HA -0.122 4.519 4.640 0.000 0.000 0.222 183 D C 1.250 177.617 176.300 0.111 0.000 0.976 183 D CA 0.649 54.772 54.000 0.204 0.000 0.915 183 D CB 0.264 41.156 40.800 0.152 0.000 0.896 183 D HN 0.219 nan 8.370 nan 0.000 0.523 184 S N -0.936 114.810 115.700 0.075 0.000 2.605 184 S HA 0.005 4.475 4.470 0.000 0.000 0.217 184 S C 0.028 174.382 174.600 -0.411 0.000 0.958 184 S CA -0.561 57.505 58.200 -0.222 0.000 0.919 184 S CB -0.348 62.658 63.200 -0.323 0.000 0.780 184 S HN 0.090 nan 8.310 nan 0.000 0.507 185 Y N 2.634 122.959 120.300 0.041 0.000 2.575 185 Y HA 0.389 4.939 4.550 0.000 0.000 0.326 185 Y C 0.753 176.714 175.900 0.102 0.000 0.979 185 Y CA -1.814 56.321 58.100 0.059 0.000 1.286 185 Y CB 0.347 38.841 38.460 0.057 0.000 1.093 185 Y HN -0.037 nan 8.280 nan 0.000 0.501 186 D N 1.034 121.542 120.400 0.181 0.000 4.769 186 D HA -0.398 4.242 4.640 0.000 0.000 0.434 186 D C 1.910 178.340 176.300 0.216 0.000 1.471 186 D CA 2.190 56.315 54.000 0.208 0.000 1.222 186 D CB -0.046 40.839 40.800 0.142 0.000 0.703 186 D HN 0.586 nan 8.370 nan 0.000 0.751 187 R N 0.752 121.353 120.500 0.168 0.000 2.241 187 R HA -0.074 4.266 4.340 0.000 0.000 0.224 187 R C 1.854 178.230 176.300 0.126 0.000 1.101 187 R CA 0.936 57.110 56.100 0.123 0.000 0.995 187 R CB 0.102 30.457 30.300 0.092 0.000 0.870 187 R HN 0.255 nan 8.270 nan 0.000 0.463 188 N N -0.240 118.567 118.700 0.180 0.000 2.251 188 N HA -0.137 4.603 4.740 0.000 0.000 0.181 188 N C 1.385 177.019 175.510 0.208 0.000 1.019 188 N CA 0.724 53.877 53.050 0.172 0.000 0.862 188 N CB -0.291 38.313 38.487 0.196 0.000 0.992 188 N HN 0.138 nan 8.380 nan 0.000 0.429 189 F N 2.349 122.348 119.950 0.083 0.000 2.307 189 F HA -0.023 4.504 4.527 0.000 0.000 0.301 189 F C 1.812 177.645 175.800 0.056 0.000 1.076 189 F CA 0.737 58.775 58.000 0.063 0.000 1.383 189 F CB -0.267 38.763 39.000 0.051 0.000 1.055 189 F HN -0.065 nan 8.300 nan 0.000 0.526 190 L N -0.520 120.662 121.223 -0.070 0.000 2.062 190 L HA -0.074 4.266 4.340 0.000 0.000 0.202 190 L C 2.639 179.460 176.870 -0.081 0.000 1.079 190 L CA 1.064 55.806 54.840 -0.163 0.000 0.755 190 L CB -0.719 41.317 42.059 -0.039 0.000 0.913 190 L HN -0.056 nan 8.230 nan 0.000 0.445 191 R N 0.821 121.321 120.500 -0.001 0.000 2.154 191 R HA -0.178 4.163 4.340 0.000 0.000 0.248 191 R C 1.857 178.169 176.300 0.021 0.000 1.155 191 R CA 1.857 57.970 56.100 0.022 0.000 0.979 191 R CB -0.712 29.612 30.300 0.041 0.000 0.869 191 R HN 0.337 nan 8.270 nan 0.000 0.452 192 L N -1.120 120.118 121.223 0.024 0.000 2.221 192 L HA 0.124 4.464 4.340 0.000 0.000 0.202 192 L C 2.183 179.059 176.870 0.010 0.000 1.074 192 L CA 0.434 55.297 54.840 0.038 0.000 0.795 192 L CB -0.203 41.904 42.059 0.079 0.000 0.960 192 L HN 0.053 nan 8.230 nan 0.000 0.458 193 R N -0.477 119.994 120.500 -0.049 0.000 2.040 193 R HA 0.131 4.471 4.340 0.000 0.000 0.209 193 R C 2.139 178.333 176.300 -0.176 0.000 1.281 193 R CA 0.628 56.675 56.100 -0.088 0.000 1.064 193 R CB -0.951 29.321 30.300 -0.048 0.000 0.950 193 R HN -0.001 nan 8.270 nan 0.000 0.462 194 V N 1.685 121.389 119.914 -0.351 0.000 2.216 194 V HA -0.216 3.904 4.120 0.000 0.000 0.243 194 V C 2.620 178.615 176.094 -0.166 0.000 1.044 194 V CA 2.092 64.222 62.300 -0.283 0.000 0.995 194 V CB -0.845 30.758 31.823 -0.367 0.000 0.633 194 V HN -0.009 nan 8.190 nan 0.000 0.446 195 V N 1.515 121.360 119.914 -0.115 0.000 2.250 195 V HA -0.243 3.877 4.120 0.000 0.000 0.253 195 V C 0.448 176.530 176.094 -0.019 0.000 1.065 195 V CA 2.873 65.154 62.300 -0.031 0.000 1.039 195 V CB -2.522 29.325 31.823 0.040 0.000 0.647 195 V HN 0.550 nan 8.190 nan 0.000 0.446 196 P HA -0.197 nan 4.420 nan 0.000 0.215 196 P C 2.096 179.384 177.300 -0.021 0.000 1.157 196 P CA 1.634 64.736 63.100 0.003 0.000 0.868 196 P CB -0.081 31.622 31.700 0.006 0.000 0.788 197 L N -1.016 120.176 121.223 -0.051 0.000 2.129 197 L HA -0.164 4.176 4.340 0.000 0.000 0.212 197 L C 2.623 179.445 176.870 -0.081 0.000 1.087 197 L CA 1.364 56.165 54.840 -0.065 0.000 0.757 197 L CB -0.495 41.520 42.059 -0.074 0.000 0.896 197 L HN -0.091 nan 8.230 nan 0.000 0.434 198 L N -1.117 120.045 121.223 -0.103 0.000 2.068 198 L HA -0.200 4.140 4.340 0.000 0.000 0.204 198 L C 2.490 179.384 176.870 0.040 0.000 1.076 198 L CA 1.031 55.800 54.840 -0.118 0.000 0.753 198 L CB -0.493 41.246 42.059 -0.533 0.000 0.910 198 L HN 0.318 nan 8.230 nan 0.000 0.439 199 Q N 0.089 119.929 119.800 0.066 0.000 2.439 199 Q HA -0.256 4.085 4.340 0.000 0.000 0.211 199 Q C 2.057 178.102 176.000 0.074 0.000 0.978 199 Q CA 1.067 56.956 55.803 0.145 0.000 0.897 199 Q CB 0.104 28.922 28.738 0.133 0.000 0.956 199 Q HN 0.490 nan 8.270 nan 0.000 0.483 200 Q N 0.104 119.900 119.800 -0.008 0.000 1.942 200 Q HA -0.234 4.106 4.340 0.000 0.000 0.203 200 Q C 1.924 177.842 176.000 -0.136 0.000 0.987 200 Q CA 1.530 57.295 55.803 -0.064 0.000 0.844 200 Q CB -0.064 28.618 28.738 -0.095 0.000 0.911 200 Q HN 0.121 nan 8.270 nan 0.000 0.423 201 R N -0.937 119.384 120.500 -0.299 0.000 2.236 201 R HA -0.014 4.326 4.340 0.000 0.000 0.208 201 R C -0.399 175.539 176.300 -0.604 0.000 1.036 201 R CA 0.627 56.389 56.100 -0.564 0.000 1.001 201 R CB 0.354 30.072 30.300 -0.970 0.000 0.896 201 R HN 0.367 nan 8.270 nan 0.000 0.464 202 W N 0.915 122.213 121.300 -0.003 0.000 2.492 202 W HA 0.308 4.968 4.660 0.000 0.000 0.287 202 W C -2.066 174.512 176.519 0.097 0.000 1.008 202 W CA -2.453 54.918 57.345 0.044 0.000 1.557 202 W CB 1.415 30.945 29.460 0.117 0.000 1.419 202 W HN -0.022 nan 8.180 nan 0.000 0.408 203 P HA -0.199 nan 4.420 nan 0.000 0.218 203 P C 0.444 178.036 177.300 0.487 0.000 1.146 203 P CA 1.778 65.058 63.100 0.300 0.000 0.813 203 P CB 0.272 32.129 31.700 0.262 0.000 0.778 204 H N -2.789 116.388 119.070 0.178 0.000 2.469 204 H HA 0.180 4.736 4.556 0.000 0.000 0.286 204 H C 1.218 176.616 175.328 0.116 0.000 1.106 204 H CA -0.769 55.349 56.048 0.117 0.000 1.055 204 H CB -0.298 29.502 29.762 0.064 0.000 1.618 204 H HN 0.005 nan 8.280 nan 0.000 0.559 205 F N 2.567 122.615 119.950 0.164 0.000 2.091 205 F HA -0.268 4.259 4.527 0.000 0.000 0.299 205 F C 2.418 178.205 175.800 -0.022 0.000 1.103 205 F CA 1.611 59.640 58.000 0.047 0.000 1.228 205 F CB -0.166 38.887 39.000 0.088 0.000 0.984 205 F HN 0.227 nan 8.300 nan 0.000 0.477 206 A N -0.632 122.235 122.820 0.078 0.000 2.024 206 A HA -0.236 4.084 4.320 0.000 0.000 0.220 206 A C 2.162 179.654 177.584 -0.153 0.000 1.164 206 A CA 1.842 53.842 52.037 -0.061 0.000 0.643 206 A CB -0.903 18.134 19.000 0.062 0.000 0.806 206 A HN 0.603 nan 8.150 nan 0.000 0.451 207 E N -0.433 119.709 120.200 -0.097 0.000 2.112 207 E HA 0.017 4.367 4.350 0.000 0.000 0.190 207 E C 2.126 178.619 176.600 -0.177 0.000 0.979 207 E CA 0.745 57.085 56.400 -0.100 0.000 0.814 207 E CB -0.203 29.478 29.700 -0.032 0.000 0.762 207 E HN 0.552 nan 8.360 nan 0.000 0.460 208 A N 0.104 122.776 122.820 -0.247 0.000 1.933 208 A HA -0.151 4.169 4.320 0.000 0.000 0.218 208 A C 2.298 179.601 177.584 -0.469 0.000 1.175 208 A CA 1.869 53.709 52.037 -0.328 0.000 0.628 208 A CB -0.769 18.003 19.000 -0.380 0.000 0.814 208 A HN 0.285 nan 8.150 nan 0.000 0.444 209 T N 0.212 114.382 114.554 -0.640 0.000 2.821 209 T HA 0.044 4.394 4.350 0.000 0.000 0.267 209 T C 2.178 176.553 174.700 -0.543 0.000 1.046 209 T CA 1.327 62.946 62.100 -0.802 0.000 1.139 209 T CB -0.342 68.019 68.868 -0.846 0.000 0.871 209 T HN 0.574 nan 8.240 nan 0.000 0.454 210 A N 1.534 124.166 122.820 -0.312 0.000 1.969 210 A HA -0.033 4.288 4.320 0.000 0.000 0.218 210 A C 2.304 179.800 177.584 -0.148 0.000 1.169 210 A CA 1.385 53.322 52.037 -0.168 0.000 0.635 210 A CB -0.518 18.413 19.000 -0.114 0.000 0.810 210 A HN 0.373 nan 8.150 nan 0.000 0.445 211 R N -0.240 120.150 120.500 -0.182 0.000 2.073 211 R HA -0.107 4.233 4.340 0.000 0.000 0.234 211 R C 2.406 178.626 176.300 -0.134 0.000 1.134 211 R CA 1.826 57.842 56.100 -0.140 0.000 0.952 211 R CB -0.285 29.927 30.300 -0.148 0.000 0.850 211 R HN 0.493 nan 8.270 nan 0.000 0.433 212 S N 0.292 115.864 115.700 -0.214 0.000 2.356 212 S HA -0.139 4.332 4.470 0.000 0.000 0.223 212 S C 1.964 176.579 174.600 0.025 0.000 1.032 212 S CA 1.136 59.252 58.200 -0.142 0.000 1.005 212 S CB -0.257 62.763 63.200 -0.300 0.000 0.867 212 S HN 0.555 nan 8.310 nan 0.000 0.449 213 A N 1.813 124.662 122.820 0.048 0.000 1.892 213 A HA -0.058 4.262 4.320 0.000 0.000 0.218 213 A C 2.386 180.011 177.584 0.069 0.000 1.188 213 A CA 2.010 54.167 52.037 0.200 0.000 0.631 213 A CB -1.287 17.824 19.000 0.185 0.000 0.822 213 A HN 0.544 nan 8.150 nan 0.000 0.447 214 A N -0.534 122.289 122.820 0.006 0.000 1.940 214 A HA -0.078 4.242 4.320 0.000 0.000 0.219 214 A C 2.181 179.759 177.584 -0.010 0.000 1.176 214 A CA 1.628 53.657 52.037 -0.012 0.000 0.631 214 A CB -0.606 18.374 19.000 -0.033 0.000 0.814 214 A HN 0.499 nan 8.150 nan 0.000 0.446 215 L N -1.112 120.105 121.223 -0.010 0.000 2.093 215 L HA -0.203 4.138 4.340 0.000 0.000 0.208 215 L C 2.657 179.528 176.870 0.002 0.000 1.085 215 L CA 0.965 55.799 54.840 -0.010 0.000 0.755 215 L CB -0.600 41.449 42.059 -0.018 0.000 0.904 215 L HN 0.483 nan 8.230 nan 0.000 0.435 216 C N -0.304 119.010 119.300 0.024 0.000 2.429 216 C HA -0.127 4.333 4.460 0.000 0.000 0.277 216 C C 3.148 178.136 174.990 -0.003 0.000 1.262 216 C CA 0.726 59.755 59.018 0.018 0.000 1.733 216 C CB -0.971 26.791 27.740 0.038 0.000 2.010 216 C HN 0.616 nan 8.230 nan 0.000 0.483 217 A N 0.354 123.173 122.820 -0.002 0.000 1.877 217 A HA -0.251 4.069 4.320 0.000 0.000 0.216 217 A C 2.121 179.694 177.584 -0.019 0.000 1.186 217 A CA 1.977 54.005 52.037 -0.015 0.000 0.620 217 A CB -0.779 18.212 19.000 -0.015 0.000 0.822 217 A HN 0.712 nan 8.150 nan 0.000 0.443 218 E N -0.644 119.546 120.200 -0.017 0.000 2.130 218 E HA -0.265 4.085 4.350 0.000 0.000 0.196 218 E C 2.089 178.677 176.600 -0.020 0.000 0.998 218 E CA 1.457 57.846 56.400 -0.019 0.000 0.806 218 E CB -0.107 29.581 29.700 -0.019 0.000 0.738 218 E HN 0.627 nan 8.360 nan 0.000 0.459 219 Q N 0.087 119.877 119.800 -0.018 0.000 2.079 219 Q HA -0.137 4.203 4.340 0.000 0.000 0.200 219 Q C 2.045 178.032 176.000 -0.023 0.000 0.974 219 Q CA 0.897 56.688 55.803 -0.019 0.000 0.840 219 Q CB -0.086 28.642 28.738 -0.017 0.000 0.898 219 Q HN 0.350 nan 8.270 nan 0.000 0.430 220 E N 0.750 120.935 120.200 -0.025 0.000 2.153 220 E HA -0.109 4.241 4.350 0.000 0.000 0.194 220 E C 2.057 178.640 176.600 -0.029 0.000 0.988 220 E CA 1.340 57.722 56.400 -0.029 0.000 0.811 220 E CB -0.052 29.628 29.700 -0.034 0.000 0.746 220 E HN 0.377 nan 8.360 nan 0.000 0.466 221 S N 0.631 116.315 115.700 -0.027 0.000 2.436 221 S HA -0.018 4.452 4.470 0.000 0.000 0.228 221 S C 2.088 176.674 174.600 -0.024 0.000 1.014 221 S CA 0.240 58.425 58.200 -0.026 0.000 0.950 221 S CB -0.314 62.871 63.200 -0.025 0.000 0.784 221 S HN 0.194 nan 8.310 nan 0.000 0.504 222 L N 0.931 122.140 121.223 -0.023 0.000 2.017 222 L HA 0.007 4.347 4.340 0.000 0.000 0.208 222 L C 2.411 179.268 176.870 -0.022 0.000 1.073 222 L CA 1.521 56.348 54.840 -0.021 0.000 0.745 222 L CB -0.470 41.576 42.059 -0.021 0.000 0.894 222 L HN 0.388 nan 8.230 nan 0.000 0.432 223 L N -0.550 120.659 121.223 -0.024 0.000 2.083 223 L HA -0.254 4.087 4.340 0.000 0.000 0.209 223 L C 2.303 179.159 176.870 -0.024 0.000 1.083 223 L CA 1.184 56.009 54.840 -0.025 0.000 0.752 223 L CB -0.833 41.209 42.059 -0.028 0.000 0.899 223 L HN 0.305 nan 8.230 nan 0.000 0.433 224 D N 0.035 120.420 120.400 -0.024 0.000 2.116 224 D HA -0.256 4.384 4.640 0.000 0.000 0.193 224 D C 1.979 178.268 176.300 -0.019 0.000 0.998 224 D CA 1.558 55.545 54.000 -0.022 0.000 0.836 224 D CB -0.039 40.746 40.800 -0.024 0.000 0.951 224 D HN 0.429 nan 8.370 nan 0.000 0.449 225 E N 0.557 120.746 120.200 -0.019 0.000 2.007 225 E HA -0.158 4.192 4.350 0.000 0.000 0.194 225 E C 2.440 179.030 176.600 -0.017 0.000 0.999 225 E CA 0.644 57.034 56.400 -0.017 0.000 0.811 225 E CB -0.269 29.420 29.700 -0.017 0.000 0.762 225 E HN 0.197 nan 8.360 nan 0.000 0.450 226 L N 0.595 121.806 121.223 -0.019 0.000 2.189 226 L HA -0.196 4.144 4.340 0.000 0.000 0.214 226 L C 2.372 179.229 176.870 -0.021 0.000 1.097 226 L CA 0.834 55.661 54.840 -0.021 0.000 0.764 226 L CB -0.216 41.830 42.059 -0.023 0.000 0.900 226 L HN 0.322 nan 8.230 nan 0.000 0.436 227 L N -1.806 119.405 121.223 -0.020 0.000 2.554 227 L HA 0.124 4.464 4.340 0.000 0.000 0.225 227 L C 2.662 179.527 176.870 -0.009 0.000 1.104 227 L CA 0.232 55.061 54.840 -0.018 0.000 0.866 227 L CB -0.504 41.543 42.059 -0.019 0.000 1.047 227 L HN 0.127 nan 8.230 nan 0.000 0.468 228 A N 1.335 124.150 122.820 -0.008 0.000 1.893 228 A HA -0.358 3.962 4.320 0.000 0.000 0.222 228 A C 1.863 179.451 177.584 0.006 0.000 1.309 228 A CA 2.719 54.754 52.037 -0.002 0.000 0.681 228 A CB -0.772 18.225 19.000 -0.005 0.000 0.842 228 A HN 0.381 nan 8.150 nan 0.000 0.468 229 D N -0.126 120.275 120.400 0.002 0.000 2.087 229 D HA -0.138 4.502 4.640 0.000 0.000 0.192 229 D C 1.653 177.970 176.300 0.029 0.000 0.993 229 D CA 1.470 55.475 54.000 0.009 0.000 0.828 229 D CB -0.634 40.160 40.800 -0.010 0.000 0.968 229 D HN 0.494 nan 8.370 nan 0.000 0.448 230 D N 0.222 120.630 120.400 0.013 0.000 2.149 230 D HA -0.151 4.489 4.640 0.000 0.000 0.194 230 D C 2.307 178.635 176.300 0.047 0.000 1.001 230 D CA 0.486 54.503 54.000 0.028 0.000 0.849 230 D CB -0.211 40.587 40.800 -0.004 0.000 0.939 230 D HN 0.207 nan 8.370 nan 0.000 0.449 231 L N 0.580 121.819 121.223 0.027 0.000 2.027 231 L HA -0.158 4.182 4.340 0.000 0.000 0.206 231 L C 2.568 179.456 176.870 0.030 0.000 1.074 231 L CA 1.119 55.973 54.840 0.025 0.000 0.745 231 L CB -0.259 41.813 42.059 0.023 0.000 0.898 231 L HN -0.045 nan 8.230 nan 0.000 0.433 232 A N -0.721 122.121 122.820 0.038 0.000 1.892 232 A HA -0.358 3.963 4.320 0.000 0.000 0.218 232 A C 2.046 179.658 177.584 0.047 0.000 1.188 232 A CA 2.280 54.339 52.037 0.038 0.000 0.631 232 A CB -0.978 18.046 19.000 0.040 0.000 0.822 232 A HN 0.630 nan 8.150 nan 0.000 0.447 233 H N -0.823 118.234 119.070 -0.022 0.000 2.321 233 H HA -0.129 4.427 4.556 0.000 0.000 0.300 233 H C 1.920 177.225 175.328 -0.037 0.000 1.087 233 H CA 2.239 58.271 56.048 -0.026 0.000 1.319 233 H CB -0.537 29.210 29.762 -0.025 0.000 1.379 233 H HN 0.429 nan 8.280 nan 0.000 0.501 234 C N 0.399 119.648 119.300 -0.085 0.000 2.481 234 C HA 0.081 4.541 4.460 0.000 0.000 0.275 234 C C 1.149 176.029 174.990 -0.184 0.000 1.419 234 C CA 0.011 58.928 59.018 -0.169 0.000 1.773 234 C CB -1.013 26.678 27.740 -0.083 0.000 1.862 234 C HN 0.566 nan 8.230 nan 0.000 0.530 235 Q N 1.702 121.433 119.800 -0.114 0.000 2.296 235 Q HA 0.320 4.660 4.340 0.000 0.000 0.257 235 Q C 0.433 176.384 176.000 -0.082 0.000 0.942 235 Q CA -0.175 55.581 55.803 -0.079 0.000 0.939 235 Q CB 0.869 29.617 28.738 0.016 0.000 1.198 235 Q HN 0.630 nan 8.270 nan 0.000 0.429 236 S N 3.019 118.658 115.700 -0.101 0.000 2.641 236 S HA 0.351 4.821 4.470 0.000 0.000 0.261 236 S C -1.870 172.705 174.600 -0.042 0.000 1.257 236 S CA -0.994 57.152 58.200 -0.090 0.000 0.983 236 S CB 0.618 63.741 63.200 -0.127 0.000 0.990 236 S HN 0.544 nan 8.310 nan 0.000 0.572 237 P HA 0.084 nan 4.420 nan 0.000 0.221 237 P C 1.228 178.532 177.300 0.007 0.000 1.155 237 P CA 0.709 63.807 63.100 -0.004 0.000 0.812 237 P CB 0.001 31.703 31.700 0.004 0.000 0.801 238 Q N -0.735 119.061 119.800 -0.006 0.000 2.124 238 Q HA 0.080 4.420 4.340 0.000 0.000 0.202 238 Q C 1.471 177.480 176.000 0.015 0.000 0.977 238 Q CA 1.754 57.563 55.803 0.011 0.000 0.850 238 Q CB -0.927 27.797 28.738 -0.023 0.000 0.901 238 Q HN 0.274 nan 8.270 nan 0.000 0.429 239 G N -0.324 108.474 108.800 -0.003 0.000 2.155 239 G HA2 -0.164 3.796 3.960 0.000 0.000 0.135 239 G HA3 -0.164 3.796 3.960 0.000 0.000 0.135 239 G C 0.122 175.117 174.900 0.159 0.000 1.023 239 G CA 0.018 45.164 45.100 0.077 0.000 0.688 239 G HN 0.458 nan 8.290 nan 0.000 0.499 240 T N -2.163 112.363 114.554 -0.048 0.000 2.919 240 T HA 0.833 5.183 4.350 0.000 0.000 0.282 240 T C -0.486 174.036 174.700 -0.297 0.000 1.020 240 T CA -0.986 60.997 62.100 -0.194 0.000 0.994 240 T CB 2.663 71.061 68.868 -0.783 0.000 1.180 240 T HN 0.915 nan 8.240 nan 0.000 0.566 241 L N 1.528 122.388 121.223 -0.605 0.000 2.349 241 L HA 0.405 4.745 4.340 0.000 0.000 0.278 241 L C -0.438 176.197 176.870 -0.392 0.000 0.996 241 L CA -0.514 53.927 54.840 -0.665 0.000 0.825 241 L CB 1.823 43.151 42.059 -1.219 0.000 1.243 241 L HN 0.605 nan 8.230 nan 0.000 0.412 242 Q N 5.318 124.956 119.800 -0.270 0.000 2.271 242 Q HA 0.143 4.483 4.340 0.000 0.000 0.273 242 Q C 1.011 176.955 176.000 -0.093 0.000 1.051 242 Q CA 0.351 56.051 55.803 -0.171 0.000 0.901 242 Q CB 1.332 29.960 28.738 -0.182 0.000 1.174 242 Q HN 0.737 nan 8.270 nan 0.000 0.385 243 I N 1.598 122.142 120.570 -0.044 0.000 2.277 243 I HA -0.234 3.936 4.170 0.000 0.000 0.243 243 I C 2.016 178.196 176.117 0.106 0.000 1.094 243 I CA 0.541 61.869 61.300 0.047 0.000 1.393 243 I CB -0.095 37.888 38.000 -0.029 0.000 1.078 243 I HN 0.361 nan 8.210 nan 0.000 0.417 244 V N 1.116 121.059 119.914 0.049 0.000 2.277 244 V HA -0.193 3.927 4.120 0.000 0.000 0.253 244 V C -0.996 175.156 176.094 0.097 0.000 1.067 244 V CA 1.719 64.059 62.300 0.067 0.000 1.047 244 V CB -2.094 29.750 31.823 0.035 0.000 0.649 244 V HN 0.327 nan 8.190 nan 0.000 0.447 251 D N 1.451 121.744 120.400 -0.178 0.000 2.133 251 D HA -0.161 4.479 4.640 0.000 0.000 0.192 251 D C 2.208 178.412 176.300 -0.161 0.000 1.001 251 D CA 2.148 56.032 54.000 -0.193 0.000 0.844 251 D CB -0.644 40.090 40.800 -0.109 0.000 0.944 251 D HN 0.747 nan 8.370 nan 0.000 0.447 252 A N 1.248 124.001 122.820 -0.112 0.000 1.902 252 A HA -0.178 4.142 4.320 0.000 0.000 0.217 252 A C 2.214 179.738 177.584 -0.100 0.000 1.181 252 A CA 1.036 53.020 52.037 -0.088 0.000 0.623 252 A CB -0.267 18.694 19.000 -0.064 0.000 0.818 252 A HN 0.014 nan 8.150 nan 0.000 0.443 253 R N -0.131 120.299 120.500 -0.117 0.000 2.088 253 R HA -0.127 4.213 4.340 0.000 0.000 0.232 253 R C 2.376 178.590 176.300 -0.142 0.000 1.136 253 R CA 1.856 57.887 56.100 -0.115 0.000 0.926 253 R CB -0.739 29.487 30.300 -0.123 0.000 0.837 253 R HN 0.595 nan 8.270 nan 0.000 0.429 254 R N -0.127 120.235 120.500 -0.230 0.000 2.136 254 R HA -0.204 4.136 4.340 0.000 0.000 0.242 254 R C 2.306 178.511 176.300 -0.158 0.000 1.131 254 R CA 1.999 57.925 56.100 -0.290 0.000 0.937 254 R CB -0.678 29.264 30.300 -0.598 0.000 0.863 254 R HN 0.305 nan 8.270 nan 0.000 0.435 255 A N 1.183 123.925 122.820 -0.129 0.000 1.892 255 A HA -0.188 4.132 4.320 0.000 0.000 0.218 255 A C 2.422 179.989 177.584 -0.029 0.000 1.188 255 A CA 1.988 53.995 52.037 -0.050 0.000 0.631 255 A CB -0.793 18.181 19.000 -0.044 0.000 0.822 255 A HN 0.478 nan 8.150 nan 0.000 0.447 256 A N -0.507 122.285 122.820 -0.045 0.000 1.972 256 A HA -0.058 4.262 4.320 0.000 0.000 0.219 256 A C 2.060 179.635 177.584 -0.014 0.000 1.169 256 A CA 1.621 53.639 52.037 -0.032 0.000 0.635 256 A CB -0.419 18.557 19.000 -0.041 0.000 0.810 256 A HN 0.440 nan 8.150 nan 0.000 0.446 257 I N -0.121 120.438 120.570 -0.018 0.000 2.206 257 I HA -0.161 4.009 4.170 0.000 0.000 0.239 257 I C 2.471 178.636 176.117 0.080 0.000 1.078 257 I CA 1.113 62.418 61.300 0.009 0.000 1.367 257 I CB -1.105 36.876 38.000 -0.031 0.000 1.078 257 I HN 0.295 nan 8.210 nan 0.000 0.413 258 I N 0.511 121.130 120.570 0.081 0.000 2.185 258 I HA -0.383 3.788 4.170 0.000 0.000 0.246 258 I C 2.801 179.061 176.117 0.239 0.000 1.088 258 I CA 1.470 62.903 61.300 0.222 0.000 1.347 258 I CB -0.492 37.620 38.000 0.187 0.000 1.041 258 I HN 0.277 nan 8.210 nan 0.000 0.415 259 R N 1.137 121.692 120.500 0.092 0.000 2.070 259 R HA -0.198 4.142 4.340 0.000 0.000 0.232 259 R C 2.500 178.787 176.300 -0.022 0.000 1.138 259 R CA 1.724 57.831 56.100 0.011 0.000 0.936 259 R CB -0.212 30.079 30.300 -0.016 0.000 0.839 259 R HN 0.132 nan 8.270 nan 0.000 0.429 260 R N -0.764 119.741 120.500 0.008 0.000 2.120 260 R HA -0.188 4.152 4.340 0.000 0.000 0.234 260 R C 1.900 178.205 176.300 0.008 0.000 1.123 260 R CA 1.899 57.993 56.100 -0.011 0.000 0.975 260 R CB -0.433 29.870 30.300 0.006 0.000 0.866 260 R HN 0.457 nan 8.270 nan 0.000 0.446 261 W N 0.712 121.942 121.300 -0.117 0.000 2.379 261 W HA -0.141 4.519 4.660 0.000 0.000 0.307 261 W C 1.226 177.621 176.519 -0.206 0.000 1.200 261 W CA 1.196 58.464 57.345 -0.128 0.000 1.297 261 W CB -0.453 28.952 29.460 -0.091 0.000 1.140 261 W HN -0.014 nan 8.180 nan 0.000 0.507 262 L N 0.970 121.893 121.223 -0.501 0.000 2.131 262 L HA -0.187 4.153 4.340 0.000 0.000 0.210 262 L C 2.695 179.106 176.870 -0.766 0.000 1.092 262 L CA 1.325 55.590 54.840 -0.959 0.000 0.759 262 L CB -1.232 40.418 42.059 -0.681 0.000 0.903 262 L HN 0.178 nan 8.230 nan 0.000 0.435 263 A N 0.191 122.743 122.820 -0.447 0.000 1.930 263 A HA -0.093 4.227 4.320 0.000 0.000 0.217 263 A C 2.409 179.788 177.584 -0.342 0.000 1.175 263 A CA 1.514 53.345 52.037 -0.344 0.000 0.627 263 A CB -1.084 17.791 19.000 -0.208 0.000 0.815 263 A HN 0.429 nan 8.150 nan 0.000 0.443 264 G N -0.938 107.663 108.800 -0.331 0.000 2.422 264 G HA2 -0.193 3.767 3.960 0.000 0.000 0.218 264 G HA3 -0.193 3.767 3.960 0.000 0.000 0.218 264 G C 1.305 176.012 174.900 -0.322 0.000 1.146 264 G CA 0.844 45.785 45.100 -0.264 0.000 0.769 264 G HN 0.490 nan 8.290 nan 0.000 0.547 265 Q N 0.332 119.815 119.800 -0.528 0.000 2.466 265 Q HA 0.037 4.377 4.340 0.000 0.000 0.210 265 Q C 0.267 175.998 176.000 -0.448 0.000 0.961 265 Q CA -0.041 55.465 55.803 -0.494 0.000 0.953 265 Q CB -0.568 27.684 28.738 -0.810 0.000 1.011 265 Q HN 0.684 nan 8.270 nan 0.000 0.516 266 N N 0.062 118.518 118.700 -0.407 0.000 2.714 266 N HA -0.200 4.540 4.740 0.000 0.000 0.253 266 N C -0.631 174.636 175.510 -0.406 0.000 1.024 266 N CA 0.240 53.099 53.050 -0.317 0.000 0.726 266 N CB -0.624 37.746 38.487 -0.196 0.000 0.908 266 N HN 0.357 nan 8.380 nan 0.000 0.542 267 A N 0.568 123.012 122.820 -0.626 0.000 2.269 267 A HA 0.753 5.073 4.320 0.000 0.000 0.319 267 A C -1.251 176.058 177.584 -0.459 0.000 1.110 267 A CA -0.957 50.624 52.037 -0.759 0.000 0.847 267 A CB 0.487 18.502 19.000 -1.642 0.000 1.161 267 A HN 0.214 nan 8.150 nan 0.000 0.497 271 S N 0.287 115.991 115.700 0.007 0.000 2.565 271 S HA 0.306 4.776 4.470 0.000 0.000 0.276 271 S C 0.967 175.574 174.600 0.012 0.000 1.326 271 S CA -0.447 57.756 58.200 0.005 0.000 1.045 271 S CB 1.374 64.583 63.200 0.015 0.000 0.918 271 S HN 0.374 nan 8.310 nan 0.000 0.505 272 R N 1.540 122.041 120.500 0.002 0.000 2.139 272 R HA -0.076 4.264 4.340 0.000 0.000 0.243 272 R C 1.689 178.003 176.300 0.023 0.000 1.145 272 R CA 1.806 57.909 56.100 0.006 0.000 0.976 272 R CB -0.731 29.566 30.300 -0.005 0.000 0.866 272 R HN 0.831 nan 8.270 nan 0.000 0.449 273 D N -0.449 119.967 120.400 0.027 0.000 2.194 273 D HA 0.026 4.666 4.640 0.000 0.000 0.204 273 D C 1.607 177.941 176.300 0.057 0.000 0.964 273 D CA 1.004 55.028 54.000 0.039 0.000 0.846 273 D CB 0.239 41.058 40.800 0.033 0.000 0.962 273 D HN 0.226 nan 8.370 nan 0.000 0.490 274 A N 1.189 124.043 122.820 0.058 0.000 1.883 274 A HA -0.152 4.168 4.320 0.000 0.000 0.217 274 A C 2.444 180.089 177.584 0.102 0.000 1.186 274 A CA 0.929 53.014 52.037 0.080 0.000 0.624 274 A CB -0.880 18.166 19.000 0.077 0.000 0.822 274 A HN 0.282 nan 8.150 nan 0.000 0.444 275 L N -0.522 120.754 121.223 0.088 0.000 2.079 275 L HA -0.198 4.142 4.340 0.000 0.000 0.210 275 L C 2.508 179.457 176.870 0.130 0.000 1.081 275 L CA 1.154 56.058 54.840 0.107 0.000 0.752 275 L CB -0.675 41.422 42.059 0.064 0.000 0.896 275 L HN 0.262 nan 8.230 nan 0.000 0.433 276 V N -0.205 119.772 119.914 0.105 0.000 2.307 276 V HA -0.251 3.869 4.120 0.000 0.000 0.245 276 V C 2.630 178.818 176.094 0.157 0.000 1.045 276 V CA 1.703 64.076 62.300 0.122 0.000 1.024 276 V CB -0.539 31.334 31.823 0.082 0.000 0.651 276 V HN 0.412 nan 8.190 nan 0.000 0.449 277 R N -0.290 120.284 120.500 0.124 0.000 2.073 277 R HA -0.112 4.228 4.340 0.000 0.000 0.234 277 R C 2.280 178.658 176.300 0.130 0.000 1.134 277 R CA 1.758 57.925 56.100 0.111 0.000 0.952 277 R CB -0.529 29.825 30.300 0.089 0.000 0.850 277 R HN 0.413 nan 8.270 nan 0.000 0.433 278 I N -0.051 120.616 120.570 0.162 0.000 2.145 278 I HA -0.372 3.799 4.170 0.000 0.000 0.244 278 I C 2.453 178.679 176.117 0.181 0.000 1.075 278 I CA 1.570 62.981 61.300 0.185 0.000 1.332 278 I CB -0.396 37.747 38.000 0.240 0.000 1.033 278 I HN 0.455 nan 8.210 nan 0.000 0.410 279 W N 1.410 122.742 121.300 0.052 0.000 2.407 279 W HA -0.161 4.499 4.660 -0.000 0.000 0.305 279 W C 2.459 178.996 176.519 0.031 0.000 1.196 279 W CA 1.091 58.455 57.345 0.031 0.000 1.311 279 W CB -0.161 29.310 29.460 0.019 0.000 1.135 279 W HN 0.189 nan 8.180 nan 0.000 0.514 280 Q N 0.457 120.328 119.800 0.119 0.000 2.119 280 Q HA -0.149 4.191 4.340 0.000 0.000 0.201 280 Q C 1.731 177.703 176.000 -0.047 0.000 0.972 280 Q CA 1.661 57.479 55.803 0.025 0.000 0.847 280 Q CB -0.423 28.384 28.738 0.115 0.000 0.903 280 Q HN 0.568 nan 8.270 nan 0.000 0.433 281 E N -0.572 119.622 120.200 -0.011 0.000 2.460 281 E HA 0.047 4.398 4.350 0.000 0.000 0.200 281 E C 1.565 178.150 176.600 -0.025 0.000 1.011 281 E CA 0.131 56.525 56.400 -0.010 0.000 0.912 281 E CB 0.818 30.533 29.700 0.025 0.000 0.953 281 E HN 0.022 nan 8.360 nan 0.000 0.494 282 V N 0.526 120.413 119.914 -0.046 0.000 3.097 282 V HA 0.107 4.227 4.120 0.000 0.000 0.223 282 V C 2.120 178.143 176.094 -0.118 0.000 1.199 282 V CA 1.037 63.318 62.300 -0.030 0.000 1.260 282 V CB -0.416 31.434 31.823 0.045 0.000 1.155 282 V HN 0.205 nan 8.190 nan 0.000 0.509 283 A N 0.163 122.840 122.820 -0.238 0.000 1.892 283 A HA -0.146 4.174 4.320 0.000 0.000 0.218 283 A C 1.982 179.256 177.584 -0.517 0.000 1.188 283 A CA 1.896 53.667 52.037 -0.444 0.000 0.631 283 A CB -0.645 17.852 19.000 -0.840 0.000 0.822 283 A HN 0.495 nan 8.150 nan 0.000 0.447 284 L N -0.693 120.185 121.223 -0.576 0.000 2.612 284 L HA 0.230 4.570 4.340 0.000 0.000 0.230 284 L C 1.109 177.862 176.870 -0.195 0.000 1.140 284 L CA -0.137 54.466 54.840 -0.395 0.000 0.896 284 L CB -0.460 41.366 42.059 -0.388 0.000 1.065 284 L HN 0.409 nan 8.230 nan 0.000 0.447 285 A N 0.541 123.270 122.820 -0.151 0.000 2.286 285 A HA 0.377 4.698 4.320 0.000 0.000 0.286 285 A C 0.275 177.830 177.584 -0.050 0.000 1.097 285 A CA -0.448 51.546 52.037 -0.072 0.000 0.821 285 A CB 0.416 19.392 19.000 -0.040 0.000 1.076 285 A HN 0.260 nan 8.150 nan 0.000 0.490 286 R N 0.815 121.301 120.500 -0.024 0.000 2.370 286 R HA 0.078 4.418 4.340 0.000 0.000 0.309 286 R C 0.506 176.813 176.300 0.013 0.000 1.059 286 R CA 0.059 56.154 56.100 -0.010 0.000 0.981 286 R CB 0.251 30.548 30.300 -0.004 0.000 0.972 286 R HN 0.927 nan 8.270 nan 0.000 0.437 287 E N 2.308 122.520 120.200 0.020 0.000 2.209 287 E HA -0.245 4.105 4.350 0.000 0.000 0.196 287 E C 0.804 177.438 176.600 0.057 0.000 0.993 287 E CA 0.971 57.404 56.400 0.054 0.000 0.819 287 E CB 0.171 29.901 29.700 0.050 0.000 0.745 287 E HN 0.657 nan 8.360 nan 0.000 0.477 288 D N 0.121 120.542 120.400 0.035 0.000 2.149 288 D HA -0.140 4.500 4.640 0.000 0.000 0.198 288 D C 1.121 177.441 176.300 0.033 0.000 0.990 288 D CA 1.058 55.078 54.000 0.032 0.000 0.839 288 D CB 0.085 40.897 40.800 0.020 0.000 0.948 288 D HN 0.117 nan 8.370 nan 0.000 0.460 289 A N -0.023 122.814 122.820 0.029 0.000 2.476 289 A HA 0.241 4.561 4.320 0.000 0.000 0.263 289 A C 0.337 177.942 177.584 0.035 0.000 1.342 289 A CA 0.022 52.075 52.037 0.026 0.000 0.926 289 A CB -0.149 18.861 19.000 0.017 0.000 1.019 289 A HN 0.016 nan 8.150 nan 0.000 0.515 290 S N 1.538 117.268 115.700 0.050 0.000 3.509 290 S HA -0.095 4.375 4.470 0.000 0.000 0.314 290 S C -2.159 172.478 174.600 0.062 0.000 0.844 290 S CA 0.622 58.861 58.200 0.065 0.000 1.361 290 S CB -1.044 62.185 63.200 0.048 0.000 1.359 290 S HN 0.714 nan 8.310 nan 0.000 0.501 291 P HA 0.478 nan 4.420 nan 0.000 0.275 291 P C -0.385 176.956 177.300 0.069 0.000 1.227 291 P CA -0.400 62.736 63.100 0.059 0.000 0.781 291 P CB 1.215 32.947 31.700 0.054 0.000 0.906 292 C N 4.832 124.161 119.300 0.047 0.000 2.832 292 C HA 0.517 4.977 4.460 0.000 0.000 0.383 292 C C -1.562 173.446 174.990 0.030 0.000 1.046 292 C CA -0.626 58.413 59.018 0.035 0.000 1.242 292 C CB 0.280 28.031 27.740 0.018 0.000 1.693 292 C HN 0.578 nan 8.230 nan 0.000 0.497 293 L N 5.871 127.118 121.223 0.040 0.000 2.316 293 L HA 0.621 4.961 4.340 0.000 0.000 0.280 293 L C 0.240 177.131 176.870 0.034 0.000 1.006 293 L CA -0.034 54.837 54.840 0.052 0.000 0.836 293 L CB 0.830 42.944 42.059 0.092 0.000 1.221 293 L HN 0.781 nan 8.230 nan 0.000 0.418 294 R N 3.947 124.455 120.500 0.015 0.000 2.316 294 R HA 0.414 4.754 4.340 0.000 0.000 0.314 294 R C -1.087 175.233 176.300 0.033 0.000 1.069 294 R CA -0.292 55.804 56.100 -0.007 0.000 0.959 294 R CB 0.446 30.734 30.300 -0.020 0.000 0.987 294 R HN 0.589 nan 8.270 nan 0.000 0.446 295 L N 5.352 126.603 121.223 0.045 0.000 2.495 295 L HA 0.342 4.682 4.340 0.000 0.000 0.248 295 L C 0.412 177.362 176.870 0.133 0.000 1.229 295 L CA 0.694 55.608 54.840 0.124 0.000 0.942 295 L CB 1.185 43.394 42.059 0.250 0.000 1.242 295 L HN 0.999 nan 8.230 nan 0.000 0.484 296 G N 1.678 110.523 108.800 0.075 0.000 2.512 296 G HA2 -0.230 3.730 3.960 0.000 0.000 0.254 296 G HA3 -0.230 3.730 3.960 0.000 0.000 0.254 296 G C 0.823 175.710 174.900 -0.021 0.000 1.199 296 G CA 0.211 45.350 45.100 0.065 0.000 0.941 296 G HN 0.794 nan 8.290 nan 0.000 0.569 297 A N -0.600 122.182 122.820 -0.064 0.000 2.119 297 A HA 0.546 4.866 4.320 0.000 0.000 0.217 297 A C 0.929 178.175 177.584 -0.564 0.000 1.153 297 A CA 1.521 53.367 52.037 -0.318 0.000 0.692 297 A CB -0.285 18.459 19.000 -0.426 0.000 0.799 297 A HN 0.743 nan 8.150 nan 0.000 0.458 298 F N -0.258 119.526 119.950 -0.275 0.000 2.450 298 F HA 0.532 5.059 4.527 0.000 0.000 0.328 298 F C 0.492 175.962 175.800 -0.550 0.000 1.068 298 F CA -0.780 56.871 58.000 -0.582 0.000 1.007 298 F CB 1.219 39.591 39.000 -1.047 0.000 1.251 298 F HN 0.290 nan 8.300 nan 0.000 0.492 299 E N 0.581 120.494 120.200 -0.478 0.000 2.343 299 E HA 0.596 4.946 4.350 0.000 0.000 0.278 299 E C -1.737 174.690 176.600 -0.288 0.000 0.910 299 E CA -0.764 55.454 56.400 -0.304 0.000 0.757 299 E CB 2.415 31.978 29.700 -0.228 0.000 1.218 299 E HN 0.456 nan 8.360 nan 0.000 0.435 300 I N 2.289 122.842 120.570 -0.029 0.000 2.412 300 I HA 0.525 4.696 4.170 0.000 0.000 0.296 300 I C 0.083 176.264 176.117 0.107 0.000 0.987 300 I CA -0.787 60.613 61.300 0.167 0.000 1.180 300 I CB 1.210 39.448 38.000 0.396 0.000 1.340 300 I HN 0.540 nan 8.210 nan 0.000 0.455 301 R N 4.581 125.165 120.500 0.139 0.000 2.795 301 R HA 0.621 4.961 4.340 0.000 0.000 0.268 301 R C -1.111 175.376 176.300 0.311 0.000 1.041 301 R CA -1.148 55.041 56.100 0.148 0.000 0.927 301 R CB 1.860 32.188 30.300 0.045 0.000 1.235 301 R HN 0.475 nan 8.270 nan 0.000 0.463 302 R N 0.936 121.614 120.500 0.295 0.000 2.445 302 R HA 0.421 4.761 4.340 0.000 0.000 0.308 302 R C -1.790 174.780 176.300 0.449 0.000 0.961 302 R CA -0.524 55.788 56.100 0.353 0.000 0.862 302 R CB 1.276 31.680 30.300 0.172 0.000 1.144 302 R HN 0.744 nan 8.270 nan 0.000 0.447 303 Y N 2.808 123.343 120.300 0.393 0.000 2.390 303 Y HA 0.096 4.646 4.550 0.001 0.000 0.324 303 Y C -1.013 175.133 175.900 0.410 0.000 1.151 303 Y CA -0.424 57.831 58.100 0.258 0.000 1.053 303 Y CB 1.566 39.995 38.460 -0.051 0.000 1.277 303 Y HN 0.864 nan 8.280 nan 0.000 0.432 304 Q N 3.891 123.484 119.800 -0.344 0.000 2.468 304 Q HA -0.214 4.126 4.340 0.000 0.000 0.289 304 Q C 0.111 176.104 176.000 -0.011 0.000 1.299 304 Q CA 1.038 56.697 55.803 -0.241 0.000 0.838 304 Q CB -1.602 26.994 28.738 -0.236 0.000 1.195 304 Q HN 0.852 nan 8.270 nan 0.000 0.456 305 S N -1.201 114.506 115.700 0.012 0.000 3.631 305 S HA -0.235 4.235 4.470 0.000 0.000 0.366 305 S C -0.084 174.530 174.600 0.024 0.000 0.993 305 S CA 1.623 59.830 58.200 0.011 0.000 1.167 305 S CB -0.721 62.468 63.200 -0.018 0.000 0.909 305 S HN 0.616 nan 8.310 nan 0.000 0.478 306 Q N -0.830 119.038 119.800 0.113 0.000 2.418 306 Q HA 0.673 5.014 4.340 0.000 0.000 0.282 306 Q C -0.915 175.163 176.000 0.130 0.000 1.044 306 Q CA -0.789 55.030 55.803 0.026 0.000 0.813 306 Q CB 1.632 30.338 28.738 -0.054 0.000 1.428 306 Q HN 0.354 nan 8.270 nan 0.000 0.402 307 L N 1.394 122.557 121.223 -0.100 0.000 2.295 307 L HA 0.546 4.887 4.340 0.000 0.000 0.285 307 L C -1.244 175.687 176.870 0.102 0.000 1.035 307 L CA -0.497 54.364 54.840 0.034 0.000 0.806 307 L CB 0.687 42.601 42.059 -0.241 0.000 1.214 307 L HN 0.510 nan 8.230 nan 0.000 0.426 308 W N 2.466 123.934 121.300 0.280 0.000 2.632 308 W HA 0.327 4.987 4.660 0.000 0.000 0.328 308 W C -0.574 176.146 176.519 0.334 0.000 1.044 308 W CA -0.594 56.947 57.345 0.326 0.000 1.225 308 W CB 1.305 30.818 29.460 0.088 0.000 1.396 308 W HN 0.418 nan 8.180 nan 0.000 0.499 309 W N 7.033 128.540 121.300 0.344 0.000 2.294 309 W HA 0.543 5.203 4.660 0.000 0.000 0.314 309 W C -1.473 175.063 176.519 0.028 0.000 1.044 309 W CA -1.163 56.210 57.345 0.048 0.000 1.284 309 W CB 0.649 29.926 29.460 -0.305 0.000 1.231 309 W HN 0.411 nan 8.180 nan 0.000 0.419 310 I N 2.707 122.990 120.570 -0.477 0.000 2.865 310 I HA 0.456 4.626 4.170 0.000 0.000 0.302 310 I C -0.682 175.190 176.117 -0.409 0.000 1.140 310 I CA -1.431 59.632 61.300 -0.396 0.000 1.021 310 I CB 1.667 39.343 38.000 -0.540 0.000 1.233 310 I HN 0.173 nan 8.210 nan 0.000 0.427 311 K N 3.080 123.343 120.400 -0.228 0.000 2.351 311 K HA 0.294 4.614 4.320 0.000 0.000 0.287 311 K C 0.179 176.543 176.600 -0.393 0.000 1.068 311 K CA 0.500 56.548 56.287 -0.397 0.000 0.998 311 K CB -0.187 32.143 32.500 -0.283 0.000 0.968 311 K HN 0.789 nan 8.250 nan 0.000 0.464 312 S N 2.873 118.302 115.700 -0.451 0.000 2.550 312 S HA 0.132 4.602 4.470 0.000 0.000 0.285 312 S C -0.462 173.995 174.600 -0.239 0.000 1.326 312 S CA -0.221 57.790 58.200 -0.316 0.000 1.037 312 S CB 0.129 63.156 63.200 -0.288 0.000 0.838 312 S HN 0.374 nan 8.310 nan 0.000 0.519 313 V N 3.852 123.670 119.914 -0.160 0.000 2.852 313 V HA 0.303 4.423 4.120 0.000 0.000 0.300 313 V C -0.168 175.866 176.094 -0.101 0.000 1.205 313 V CA -0.832 61.398 62.300 -0.117 0.000 0.940 313 V CB 2.129 33.911 31.823 -0.069 0.000 1.047 313 V HN 1.067 nan 8.190 nan 0.000 0.429 314 T N 1.740 116.228 114.554 -0.109 0.000 2.901 314 T HA 0.508 4.858 4.350 0.000 0.000 0.301 314 T C 0.881 175.497 174.700 -0.139 0.000 1.012 314 T CA 0.196 62.230 62.100 -0.110 0.000 1.135 314 T CB 1.251 70.055 68.868 -0.106 0.000 0.936 314 T HN 1.139 nan 8.240 nan 0.000 0.539 315 G N 0.657 109.381 108.800 -0.126 0.000 2.794 315 G HA2 0.300 4.260 3.960 0.000 0.000 0.249 315 G HA3 0.300 4.260 3.960 0.000 0.000 0.249 315 G C 0.186 174.935 174.900 -0.252 0.000 1.236 315 G CA -0.273 44.733 45.100 -0.157 0.000 0.880 315 G HN 0.689 nan 8.290 nan 0.000 0.586 316 Q N -1.547 118.055 119.800 -0.329 0.000 1.932 316 Q HA 0.103 4.443 4.340 0.000 0.000 0.191 316 Q C 1.983 177.852 176.000 -0.218 0.000 0.777 316 Q CA 0.584 56.083 55.803 -0.507 0.000 0.953 316 Q CB 0.069 27.974 28.738 -1.388 0.000 1.231 316 Q HN 0.644 nan 8.270 nan 0.000 0.418 317 S N -0.626 115.043 115.700 -0.052 0.000 2.402 317 S HA -0.168 4.302 4.470 0.000 0.000 0.233 317 S C 1.440 176.086 174.600 0.077 0.000 1.030 317 S CA 1.526 59.777 58.200 0.086 0.000 1.003 317 S CB 0.043 63.281 63.200 0.063 0.000 0.813 317 S HN 0.208 nan 8.310 nan 0.000 0.477 318 E N 1.557 121.770 120.200 0.022 0.000 2.478 318 E HA 0.304 4.655 4.350 0.000 0.000 0.194 318 E C 0.395 177.012 176.600 0.029 0.000 1.045 318 E CA -0.161 56.249 56.400 0.016 0.000 0.868 318 E CB -0.172 29.525 29.700 -0.006 0.000 0.885 318 E HN 0.733 nan 8.360 nan 0.000 0.505 319 N N 0.163 118.900 118.700 0.061 0.000 2.530 319 N HA 0.302 5.042 4.740 0.000 0.000 0.277 319 N C -0.810 174.798 175.510 0.164 0.000 1.168 319 N CA -0.222 52.888 53.050 0.099 0.000 0.979 319 N CB 0.612 39.143 38.487 0.073 0.000 1.141 319 N HN -0.080 nan 8.380 nan 0.000 0.459 320 I N 3.273 123.895 120.570 0.088 0.000 2.563 320 I HA 0.086 4.256 4.170 0.000 0.000 0.281 320 I C -0.810 175.327 176.117 0.034 0.000 1.110 320 I CA -0.604 60.709 61.300 0.022 0.000 1.073 320 I CB 1.848 39.821 38.000 -0.045 0.000 1.215 320 I HN 0.262 nan 8.210 nan 0.000 0.460 321 V N 9.343 129.282 119.914 0.040 0.000 2.318 321 V HA 0.529 4.649 4.120 0.000 0.000 0.271 321 V C -2.035 174.081 176.094 0.036 0.000 1.030 321 V CA -1.857 60.463 62.300 0.033 0.000 0.844 321 V CB 1.302 33.142 31.823 0.028 0.000 1.015 321 V HN 0.438 nan 8.190 nan 0.000 0.460 322 P HA 0.046 nan 4.420 nan 0.000 0.269 322 P C -1.001 176.441 177.300 0.235 0.000 1.209 322 P CA -0.100 63.087 63.100 0.144 0.000 0.776 322 P CB 0.644 32.413 31.700 0.114 0.000 0.876 323 W N 3.767 125.137 121.300 0.116 0.000 2.319 323 W HA 0.209 4.869 4.660 0.000 0.000 0.288 323 W C 0.879 177.519 176.519 0.202 0.000 0.959 323 W CA -0.369 57.075 57.345 0.165 0.000 1.784 323 W CB 0.363 29.951 29.460 0.215 0.000 1.848 323 W HN 0.394 nan 8.180 nan 0.000 0.408 324 Q N 0.555 120.572 119.800 0.361 0.000 2.119 324 Q HA -0.041 4.299 4.340 0.000 0.000 0.201 324 Q C 0.391 176.435 176.000 0.074 0.000 0.972 324 Q CA 1.226 57.148 55.803 0.198 0.000 0.847 324 Q CB 0.191 29.002 28.738 0.122 0.000 0.903 324 Q HN 0.096 nan 8.270 nan 0.000 0.433 325 T N 1.784 116.400 114.554 0.104 0.000 3.326 325 T HA 0.086 4.436 4.350 0.000 0.000 0.274 325 T C 0.769 175.376 174.700 -0.155 0.000 1.608 325 T CA -0.533 61.496 62.100 -0.119 0.000 1.433 325 T CB -0.570 68.288 68.868 -0.016 0.000 1.034 325 T HN 0.436 nan 8.240 nan 0.000 0.694 326 W N 0.286 121.319 121.300 -0.446 0.000 2.747 326 W HA 0.014 4.674 4.660 0.000 0.000 0.244 326 W C 0.579 176.809 176.519 -0.483 0.000 1.270 326 W CA -0.337 56.277 57.345 -1.218 0.000 1.333 326 W CB -0.612 27.930 29.460 -1.531 0.000 1.139 326 W HN 0.324 nan 8.180 nan 0.000 0.662 327 L N 0.968 121.864 121.223 -0.545 0.000 2.313 327 L HA 0.070 4.410 4.340 0.000 0.000 0.214 327 L C 1.110 177.963 176.870 -0.030 0.000 1.119 327 L CA 1.469 56.113 54.840 -0.328 0.000 0.809 327 L CB -0.653 41.106 42.059 -0.500 0.000 0.933 327 L HN -0.162 nan 8.230 nan 0.000 0.449 328 Q N -0.434 119.407 119.800 0.069 0.000 2.301 328 Q HA 0.421 4.761 4.340 0.000 0.000 0.267 328 Q C -2.245 174.002 176.000 0.412 0.000 1.035 328 Q CA -2.527 53.388 55.803 0.186 0.000 0.856 328 Q CB 0.927 29.739 28.738 0.124 0.000 1.337 328 Q HN -0.074 nan 8.270 nan 0.000 0.450 329 P HA 0.010 nan 4.420 nan 0.000 0.268 329 P C -0.768 176.663 177.300 0.218 0.000 1.208 329 P CA -0.187 63.105 63.100 0.321 0.000 0.777 329 P CB 0.396 32.203 31.700 0.179 0.000 0.875 330 L N 2.044 123.243 121.223 -0.041 0.000 2.319 330 L HA 0.411 4.751 4.340 0.000 0.000 0.281 330 L C -0.175 176.581 176.870 -0.189 0.000 1.005 330 L CA -0.818 53.841 54.840 -0.302 0.000 0.828 330 L CB 1.224 42.648 42.059 -1.059 0.000 1.227 330 L HN 0.149 nan 8.230 nan 0.000 0.415 331 E N 4.081 124.231 120.200 -0.084 0.000 2.324 331 E HA 0.314 4.664 4.350 0.000 0.000 0.271 331 E C -1.076 175.499 176.600 -0.041 0.000 1.028 331 E CA 0.210 56.591 56.400 -0.033 0.000 0.890 331 E CB 0.491 30.190 29.700 -0.002 0.000 1.004 331 E HN 0.649 nan 8.360 nan 0.000 0.431 332 L N 6.717 127.939 121.223 -0.002 0.000 2.399 332 L HA 0.481 4.821 4.340 0.000 0.000 0.265 332 L C -1.596 175.303 176.870 0.049 0.000 1.089 332 L CA -2.055 52.806 54.840 0.035 0.000 0.802 332 L CB 0.811 42.919 42.059 0.082 0.000 1.180 332 L HN 0.622 nan 8.230 nan 0.000 0.454 333 P HA 0.027 nan 4.420 nan 0.000 0.275 333 P C -0.319 176.972 177.300 -0.014 0.000 1.270 333 P CA -0.215 62.888 63.100 0.006 0.000 0.791 333 P CB 0.436 32.125 31.700 -0.017 0.000 1.089 334 A N -0.161 122.634 122.820 -0.040 0.000 2.311 334 A HA -0.069 4.252 4.320 0.000 0.000 0.284 334 A C 1.288 178.860 177.584 -0.019 0.000 1.409 334 A CA 1.062 53.069 52.037 -0.049 0.000 0.764 334 A CB -2.442 16.504 19.000 -0.091 0.000 1.095 334 A HN 1.165 nan 8.150 nan 0.000 0.369 335 G N -1.366 107.433 108.800 -0.001 0.000 2.450 335 G HA2 -0.293 3.667 3.960 0.000 0.000 0.302 335 G HA3 -0.293 3.667 3.960 0.000 0.000 0.302 335 G C 0.605 175.540 174.900 0.059 0.000 0.957 335 G CA 0.656 45.766 45.100 0.017 0.000 1.005 335 G HN 1.287 nan 8.290 nan 0.000 0.514 336 L N -0.523 120.768 121.223 0.114 0.000 2.554 336 L HA 0.359 4.699 4.340 0.000 0.000 0.226 336 L C 1.831 178.930 176.870 0.382 0.000 1.137 336 L CA 0.751 55.747 54.840 0.259 0.000 0.863 336 L CB -0.404 41.827 42.059 0.287 0.000 0.985 336 L HN 0.962 nan 8.230 nan 0.000 0.451 337 G N -0.373 108.560 108.800 0.221 0.000 2.526 337 G HA2 -0.182 3.778 3.960 0.000 0.000 0.250 337 G HA3 -0.182 3.778 3.960 0.000 0.000 0.250 337 G C -0.407 174.604 174.900 0.185 0.000 1.289 337 G CA -0.307 44.910 45.100 0.195 0.000 0.947 337 G HN 0.286 nan 8.290 nan 0.000 0.517 338 S N -2.005 113.792 115.700 0.162 0.000 2.739 338 S HA 0.892 5.362 4.470 0.000 0.000 0.306 338 S C -0.566 174.102 174.600 0.114 0.000 1.115 338 S CA -0.115 58.139 58.200 0.090 0.000 0.985 338 S CB 2.264 65.503 63.200 0.065 0.000 1.133 338 S HN 2.001 nan 8.310 nan 0.000 0.541 339 V N 1.337 121.243 119.914 -0.014 0.000 3.012 339 V HA 0.702 4.822 4.120 0.000 0.000 0.307 339 V C -1.628 174.540 176.094 0.123 0.000 1.166 339 V CA -0.497 61.764 62.300 -0.065 0.000 0.974 339 V CB 2.018 33.658 31.823 -0.305 0.000 1.040 339 V HN 1.176 nan 8.190 nan 0.000 0.428 340 Q N 4.289 124.279 119.800 0.317 0.000 2.522 340 Q HA 0.626 4.966 4.340 0.000 0.000 0.285 340 Q C -2.257 174.082 176.000 0.565 0.000 0.982 340 Q CA -0.972 55.195 55.803 0.607 0.000 0.805 340 Q CB 2.430 31.391 28.738 0.372 0.000 1.457 340 Q HN 0.585 nan 8.270 nan 0.000 0.394 341 L N 2.524 124.038 121.223 0.485 0.000 2.264 341 L HA 0.472 4.812 4.340 0.000 0.000 0.287 341 L C -0.673 176.330 176.870 0.221 0.000 1.039 341 L CA -0.397 54.631 54.840 0.315 0.000 0.829 341 L CB 0.813 42.966 42.059 0.156 0.000 1.211 341 L HN 0.627 nan 8.230 nan 0.000 0.427 342 N N 1.777 120.589 118.700 0.186 0.000 2.473 342 N HA 0.540 5.280 4.740 0.000 0.000 0.291 342 N C -0.096 175.480 175.510 0.109 0.000 1.083 342 N CA -0.662 52.469 53.050 0.136 0.000 0.951 342 N CB 1.780 40.337 38.487 0.117 0.000 1.164 342 N HN 0.636 nan 8.380 nan 0.000 0.480 343 A N 1.353 124.228 122.820 0.091 0.000 2.511 343 A HA 0.505 4.825 4.320 0.000 0.000 0.242 343 A C 0.850 178.470 177.584 0.061 0.000 1.069 343 A CA 0.379 52.459 52.037 0.071 0.000 0.763 343 A CB -0.486 18.551 19.000 0.061 0.000 1.001 343 A HN 0.880 nan 8.150 nan 0.000 0.498 344 G N 0.814 109.646 108.800 0.052 0.000 3.238 344 G HA2 0.566 4.526 3.960 0.000 0.000 0.684 344 G HA3 0.566 4.526 3.960 0.000 0.000 0.684 344 G C 0.173 175.104 174.900 0.052 0.000 1.156 344 G CA -0.080 45.048 45.100 0.046 0.000 1.048 344 G HN 2.794 nan 8.290 nan 0.000 0.462 345 G N 0.458 109.285 108.800 0.045 0.000 2.325 345 G HA2 0.536 4.497 3.960 0.000 0.000 0.297 345 G HA3 0.536 4.497 3.960 0.000 0.000 0.297 345 G C -0.182 174.740 174.900 0.038 0.000 1.448 345 G CA 0.159 45.288 45.100 0.049 0.000 0.838 345 G HN 0.311 nan 8.290 nan 0.000 0.579 346 D N -0.048 120.375 120.400 0.038 0.000 2.324 346 D HA 0.112 4.753 4.640 0.000 0.000 0.235 346 D C 0.745 177.055 176.300 0.016 0.000 1.095 346 D CA 0.640 54.656 54.000 0.026 0.000 0.871 346 D CB 0.300 41.117 40.800 0.028 0.000 0.906 346 D HN 0.258 nan 8.370 nan 0.000 0.522 347 I N 1.023 121.604 120.570 0.018 0.000 2.377 347 I HA 0.157 4.327 4.170 0.000 0.000 0.293 347 I C 0.785 176.903 176.117 0.001 0.000 0.987 347 I CA -0.892 60.405 61.300 -0.004 0.000 1.185 347 I CB 1.948 39.941 38.000 -0.011 0.000 1.341 347 I HN -0.308 nan 8.210 nan 0.000 0.455 348 R N 7.105 127.605 120.500 -0.000 0.000 2.489 348 R HA 0.273 4.613 4.340 0.000 0.000 0.287 348 R C -2.489 173.823 176.300 0.020 0.000 1.053 348 R CA -1.110 54.996 56.100 0.009 0.000 1.036 348 R CB 0.681 30.989 30.300 0.013 0.000 0.966 348 R HN 0.253 nan 8.270 nan 0.000 0.432 349 P HA 0.119 nan 4.420 nan 0.000 0.271 349 P C -2.486 174.560 177.300 -0.423 0.000 1.233 349 P CA -0.872 62.103 63.100 -0.208 0.000 0.789 349 P CB 0.263 31.866 31.700 -0.162 0.000 0.951 350 P HA 0.371 nan 4.420 nan 0.000 0.287 350 P C -0.798 176.083 177.300 -0.699 0.000 1.270 350 P CA -0.585 61.773 63.100 -1.238 0.000 0.844 350 P CB 1.220 31.781 31.700 -1.897 0.000 1.068 351 R N 1.028 121.250 120.500 -0.463 0.000 2.490 351 R HA 0.424 4.764 4.340 0.000 0.000 0.278 351 R C 1.495 177.751 176.300 -0.073 0.000 1.069 351 R CA -0.208 55.777 56.100 -0.192 0.000 1.080 351 R CB 0.171 30.389 30.300 -0.138 0.000 1.030 351 R HN 0.480 nan 8.270 nan 0.000 0.491 352 A N 1.869 124.733 122.820 0.073 0.000 2.248 352 A HA -0.157 4.163 4.320 0.000 0.000 0.210 352 A C 0.993 178.620 177.584 0.070 0.000 1.174 352 A CA 1.660 53.790 52.037 0.155 0.000 0.750 352 A CB -0.643 18.420 19.000 0.105 0.000 0.780 352 A HN 0.925 nan 8.150 nan 0.000 0.478 353 D N -0.602 119.806 120.400 0.013 0.000 2.367 353 D HA 0.012 4.652 4.640 0.000 0.000 0.207 353 D C 0.643 176.937 176.300 -0.010 0.000 1.034 353 D CA 0.315 54.316 54.000 0.001 0.000 0.861 353 D CB -0.122 40.672 40.800 -0.011 0.000 0.943 353 D HN 0.676 nan 8.370 nan 0.000 0.515 354 E N 0.200 120.371 120.200 -0.049 0.000 2.222 354 E HA 0.580 4.930 4.350 0.000 0.000 0.272 354 E C -0.903 175.679 176.600 -0.029 0.000 0.982 354 E CA -1.502 54.863 56.400 -0.059 0.000 0.842 354 E CB 1.562 31.186 29.700 -0.127 0.000 1.144 354 E HN 0.045 nan 8.360 nan 0.000 0.397 355 A N 2.505 125.336 122.820 0.018 0.000 2.316 355 A HA 0.368 4.688 4.320 0.000 0.000 0.311 355 A C -0.157 177.489 177.584 0.104 0.000 1.339 355 A CA -0.709 51.371 52.037 0.071 0.000 0.960 355 A CB 0.119 19.165 19.000 0.077 0.000 1.152 355 A HN 0.406 nan 8.150 nan 0.000 0.547 356 V N 3.088 123.072 119.914 0.117 0.000 2.649 356 V HA 0.604 4.725 4.120 0.000 0.000 0.292 356 V C 0.676 176.960 176.094 0.317 0.000 1.055 356 V CA 0.515 62.929 62.300 0.191 0.000 1.023 356 V CB 1.039 32.862 31.823 -0.000 0.000 0.992 356 V HN 1.157 nan 8.190 nan 0.000 0.480 357 S N 3.159 119.057 115.700 0.329 0.000 2.596 357 S HA 0.772 5.242 4.470 0.000 0.000 0.270 357 S C -1.337 173.385 174.600 0.203 0.000 1.155 357 S CA -0.775 57.582 58.200 0.263 0.000 0.827 357 S CB 1.916 65.191 63.200 0.125 0.000 1.130 357 S HN 0.405 nan 8.310 nan 0.000 0.467 358 V N 1.774 121.722 119.914 0.056 0.000 2.495 358 V HA 0.701 4.821 4.120 0.000 0.000 0.298 358 V C 0.021 175.964 176.094 -0.252 0.000 1.031 358 V CA -0.553 61.688 62.300 -0.098 0.000 0.871 358 V CB 1.477 33.176 31.823 -0.206 0.000 0.988 358 V HN 0.959 nan 8.190 nan 0.000 0.432 359 R N 2.743 123.026 120.500 -0.362 0.000 2.947 359 R HA 0.657 4.997 4.340 0.000 0.000 0.253 359 R C -1.173 174.698 176.300 -0.714 0.000 1.208 359 R CA -0.655 55.194 56.100 -0.418 0.000 1.012 359 R CB 1.546 31.606 30.300 -0.400 0.000 1.267 359 R HN 0.545 nan 8.270 nan 0.000 0.473 360 F N -0.285 119.684 119.950 0.032 0.000 2.859 360 F HA 0.406 4.933 4.527 0.000 0.000 0.324 360 F C 0.023 175.907 175.800 0.141 0.000 1.158 360 F CA -0.326 57.726 58.000 0.087 0.000 1.147 360 F CB 0.839 39.855 39.000 0.027 0.000 1.137 360 F HN 0.166 nan 8.300 nan 0.000 0.516 361 K N 1.199 121.738 120.400 0.231 0.000 2.533 361 K HA 0.893 5.213 4.320 0.000 0.000 0.272 361 K C -1.770 174.947 176.600 0.195 0.000 0.985 361 K CA -0.918 55.483 56.287 0.190 0.000 0.876 361 K CB 2.469 35.039 32.500 0.118 0.000 1.452 361 K HN -0.091 nan 8.250 nan 0.000 0.439 362 A N 3.255 126.175 122.820 0.165 0.000 2.522 362 A HA 0.369 4.689 4.320 0.000 0.000 0.290 362 A C -2.864 174.767 177.584 0.079 0.000 1.047 362 A CA -1.004 51.168 52.037 0.225 0.000 0.935 362 A CB 0.751 19.894 19.000 0.238 0.000 1.451 362 A HN 0.535 nan 8.150 nan 0.000 0.398 363 P HA 0.530 nan 4.420 nan 0.000 0.274 363 P C 0.685 177.980 177.300 -0.007 0.000 1.237 363 P CA 1.360 64.473 63.100 0.021 0.000 0.793 363 P CB 1.083 32.799 31.700 0.026 0.000 0.977 364 G N 0.482 109.265 108.800 -0.029 0.000 2.828 364 G HA2 -0.182 3.778 3.960 0.000 0.000 0.463 364 G HA3 -0.182 3.778 3.960 0.000 0.000 0.463 364 G C -0.706 174.133 174.900 -0.102 0.000 1.394 364 G CA -0.595 44.475 45.100 -0.049 0.000 0.862 364 G HN 0.596 nan 8.290 nan 0.000 0.540 365 L N -0.152 121.000 121.223 -0.119 0.000 2.416 365 L HA 0.522 4.862 4.340 0.000 0.000 0.272 365 L C 0.727 177.405 176.870 -0.319 0.000 1.161 365 L CA -0.215 54.495 54.840 -0.217 0.000 0.845 365 L CB 0.449 42.391 42.059 -0.194 0.000 1.119 365 L HN 0.438 nan 8.230 nan 0.000 0.464 366 L N 3.202 124.163 121.223 -0.436 0.000 2.362 366 L HA 0.507 4.847 4.340 0.000 0.000 0.271 366 L C -0.517 175.983 176.870 -0.617 0.000 1.002 366 L CA -0.787 53.785 54.840 -0.446 0.000 0.818 366 L CB 1.760 43.599 42.059 -0.368 0.000 1.298 366 L HN 0.513 nan 8.230 nan 0.000 0.420 367 H N 3.935 122.897 119.070 -0.181 0.000 2.459 367 H HA 0.596 5.152 4.556 0.000 0.000 0.332 367 H C -0.619 174.599 175.328 -0.183 0.000 1.094 367 H CA -0.374 55.577 56.048 -0.161 0.000 1.224 367 H CB 2.443 32.138 29.762 -0.111 0.000 1.449 367 H HN 0.395 nan 8.280 nan 0.000 0.484 368 I N 1.632 122.140 120.570 -0.103 0.000 2.957 368 I HA 0.183 4.353 4.170 0.000 0.000 0.310 368 I C 0.167 176.260 176.117 -0.038 0.000 1.063 368 I CA -1.339 59.888 61.300 -0.121 0.000 1.033 368 I CB 2.508 40.334 38.000 -0.289 0.000 1.230 368 I HN 0.154 nan 8.210 nan 0.000 0.447 369 V N 3.045 122.959 119.914 -0.000 0.000 2.521 369 V HA 0.313 4.433 4.120 0.000 0.000 0.286 369 V C 1.011 177.113 176.094 0.013 0.000 1.034 369 V CA 1.136 63.444 62.300 0.013 0.000 1.045 369 V CB 0.232 32.075 31.823 0.033 0.000 0.974 369 V HN 1.160 nan 8.190 nan 0.000 0.480 370 G N 4.186 112.990 108.800 0.006 0.000 2.159 370 G HA2 -0.153 3.807 3.960 0.000 0.000 0.227 370 G HA3 -0.153 3.807 3.960 0.000 0.000 0.227 370 G C 0.061 174.959 174.900 -0.003 0.000 0.986 370 G CA -0.374 44.730 45.100 0.008 0.000 0.651 370 G HN 0.528 nan 8.290 nan 0.000 0.523 371 R N -0.066 120.426 120.500 -0.013 0.000 2.548 371 R HA 0.333 4.673 4.340 0.000 0.000 0.280 371 R C -1.225 175.071 176.300 -0.007 0.000 1.061 371 R CA -0.771 55.318 56.100 -0.020 0.000 0.915 371 R CB 0.952 31.223 30.300 -0.048 0.000 1.210 371 R HN 0.272 nan 8.270 nan 0.000 0.442 372 N N 1.086 119.784 118.700 -0.002 0.000 2.678 372 N HA 0.419 5.159 4.740 0.000 0.000 0.231 372 N C 0.040 175.563 175.510 0.020 0.000 1.038 372 N CA 0.057 53.112 53.050 0.008 0.000 0.932 372 N CB 0.735 39.221 38.487 -0.002 0.000 1.176 372 N HN 0.786 nan 8.380 nan 0.000 0.511 373 G N 1.182 110.023 108.800 0.067 0.000 2.718 373 G HA2 0.385 4.345 3.960 0.000 0.000 0.123 373 G HA3 0.385 4.345 3.960 0.000 0.000 0.123 373 G C -0.184 174.793 174.900 0.130 0.000 1.042 373 G CA 0.114 45.253 45.100 0.066 0.000 1.397 373 G HN 0.662 nan 8.290 nan 0.000 0.611 374 G N 0.678 109.420 108.800 -0.096 0.000 2.421 374 G HA2 0.506 4.466 3.960 0.000 0.000 0.360 374 G HA3 0.506 4.466 3.960 0.000 0.000 0.360 374 G C -0.386 174.321 174.900 -0.323 0.000 1.219 374 G CA 0.291 45.102 45.100 -0.480 0.000 1.257 374 G HN 1.041 nan 8.290 nan 0.000 0.609 375 R N 0.733 121.055 120.500 -0.298 0.000 2.943 375 R HA 0.739 5.079 4.340 0.000 0.000 0.246 375 R C -0.039 176.117 176.300 -0.240 0.000 1.201 375 R CA -0.918 55.054 56.100 -0.214 0.000 1.056 375 R CB 0.722 30.926 30.300 -0.159 0.000 1.243 375 R HN 0.304 nan 8.270 nan 0.000 0.498 376 K N 0.420 120.714 120.400 -0.177 0.000 2.126 376 K HA 0.185 4.505 4.320 0.000 0.000 0.257 376 K C 1.336 177.800 176.600 -0.226 0.000 1.007 376 K CA -0.468 55.716 56.287 -0.172 0.000 0.928 376 K CB 0.873 33.312 32.500 -0.102 0.000 1.013 376 K HN 0.360 nan 8.250 nan 0.000 0.473 377 L N 2.205 123.272 121.223 -0.261 0.000 2.010 377 L HA -0.321 4.019 4.340 0.000 0.000 0.219 377 L C 2.458 179.096 176.870 -0.385 0.000 1.077 377 L CA 1.935 56.514 54.840 -0.436 0.000 0.773 377 L CB -0.281 41.567 42.059 -0.352 0.000 0.892 377 L HN 0.719 nan 8.230 nan 0.000 0.436 378 K N -0.054 120.288 120.400 -0.097 0.000 2.103 378 K HA -0.291 4.029 4.320 0.000 0.000 0.207 378 K C 2.155 178.804 176.600 0.081 0.000 1.048 378 K CA 1.962 58.317 56.287 0.114 0.000 0.930 378 K CB 0.015 32.578 32.500 0.105 0.000 0.716 378 K HN 0.089 nan 8.250 nan 0.000 0.444 379 K N 1.088 121.476 120.400 -0.021 0.000 2.062 379 K HA -0.031 4.290 4.320 0.000 0.000 0.205 379 K C 1.856 178.439 176.600 -0.029 0.000 1.051 379 K CA 1.164 57.438 56.287 -0.020 0.000 0.941 379 K CB -0.133 32.329 32.500 -0.062 0.000 0.719 379 K HN 0.161 nan 8.250 nan 0.000 0.440 380 I N -0.731 119.759 120.570 -0.133 0.000 2.226 380 I HA -0.273 3.897 4.170 0.000 0.000 0.245 380 I C 1.958 178.100 176.117 0.041 0.000 1.100 380 I CA 1.414 62.608 61.300 -0.176 0.000 1.374 380 I CB -0.321 37.395 38.000 -0.474 0.000 1.057 380 I HN 0.315 nan 8.210 nan 0.000 0.413 381 W N 1.130 122.416 121.300 -0.023 0.000 2.317 381 W HA -0.289 4.371 4.660 -0.000 0.000 0.318 381 W C 2.856 179.379 176.519 0.006 0.000 1.227 381 W CA 0.638 57.989 57.345 0.009 0.000 1.269 381 W CB -0.372 29.079 29.460 -0.014 0.000 1.155 381 W HN 0.156 nan 8.180 nan 0.000 0.484 382 Q N 0.245 120.206 119.800 0.268 0.000 2.030 382 Q HA -0.255 4.085 4.340 0.000 0.000 0.204 382 Q C 1.911 177.993 176.000 0.137 0.000 0.986 382 Q CA 1.958 57.867 55.803 0.177 0.000 0.843 382 Q CB -0.562 28.251 28.738 0.124 0.000 0.904 382 Q HN 0.421 nan 8.270 nan 0.000 0.420 383 E N 0.187 120.443 120.200 0.094 0.000 2.160 383 E HA -0.190 4.160 4.350 0.000 0.000 0.195 383 E C 1.455 178.108 176.600 0.088 0.000 0.991 383 E CA 0.781 57.219 56.400 0.063 0.000 0.810 383 E CB 0.041 29.752 29.700 0.019 0.000 0.742 383 E HN 0.153 nan 8.360 nan 0.000 0.466 384 L N -0.809 120.493 121.223 0.131 0.000 2.591 384 L HA 0.165 4.505 4.340 0.000 0.000 0.228 384 L C 1.391 178.357 176.870 0.160 0.000 1.133 384 L CA 1.016 55.950 54.840 0.156 0.000 0.880 384 L CB -0.013 42.180 42.059 0.223 0.000 1.033 384 L HN 0.237 nan 8.230 nan 0.000 0.450 385 G N -0.638 108.264 108.800 0.169 0.000 2.143 385 G HA2 -0.247 3.713 3.960 0.000 0.000 0.248 385 G HA3 -0.247 3.713 3.960 0.000 0.000 0.248 385 G C 0.298 175.262 174.900 0.105 0.000 0.991 385 G CA 0.196 45.416 45.100 0.199 0.000 0.689 385 G HN 0.118 nan 8.290 nan 0.000 0.522 386 V N 1.756 121.667 119.914 -0.005 0.000 2.446 386 V HA 0.275 4.395 4.120 0.000 0.000 0.276 386 V C -1.197 174.459 176.094 -0.730 0.000 1.030 386 V CA -1.027 61.089 62.300 -0.306 0.000 1.033 386 V CB 0.945 32.568 31.823 -0.332 0.000 0.993 386 V HN 0.152 nan 8.190 nan 0.000 0.477 387 P HA 0.102 nan 4.420 nan 0.000 0.266 387 P C -1.993 174.306 177.300 -1.669 0.000 1.195 387 P CA -0.987 60.835 63.100 -2.129 0.000 0.768 387 P CB 0.154 30.245 31.700 -2.683 0.000 0.838 388 P HA -0.186 nan 4.420 nan 0.000 0.216 388 P C 0.797 177.779 177.300 -0.529 0.000 1.150 388 P CA 1.493 64.177 63.100 -0.694 0.000 0.843 388 P CB -0.429 31.058 31.700 -0.354 0.000 0.787 389 W N -1.162 119.916 121.300 -0.370 0.000 2.611 389 W HA 0.087 4.747 4.660 0.000 0.000 0.251 389 W C 1.037 177.395 176.519 -0.268 0.000 1.265 389 W CA 0.427 57.608 57.345 -0.274 0.000 1.295 389 W CB -1.554 27.762 29.460 -0.241 0.000 1.129 389 W HN -0.126 nan 8.180 nan 0.000 0.630 390 L N 0.806 121.642 121.223 -0.646 0.000 2.664 390 L HA 0.295 4.635 4.340 0.000 0.000 0.233 390 L C 2.201 178.718 176.870 -0.588 0.000 1.113 390 L CA -0.104 54.453 54.840 -0.473 0.000 0.896 390 L CB -0.362 41.365 42.059 -0.553 0.000 1.163 390 L HN -0.080 nan 8.230 nan 0.000 0.497 391 R N 0.858 120.923 120.500 -0.725 0.000 2.280 391 R HA -0.064 4.276 4.340 0.000 0.000 0.207 391 R C 0.337 176.499 176.300 -0.229 0.000 1.043 391 R CA 1.064 56.606 56.100 -0.930 0.000 1.006 391 R CB -0.083 29.717 30.300 -0.833 0.000 0.885 391 R HN 0.415 nan 8.270 nan 0.000 0.467 392 D N -1.208 119.117 120.400 -0.125 0.000 2.582 392 D HA -0.018 4.622 4.640 0.000 0.000 0.246 392 D C 0.478 176.760 176.300 -0.030 0.000 1.334 392 D CA 0.069 54.090 54.000 0.036 0.000 0.805 392 D CB 0.345 41.141 40.800 -0.006 0.000 1.087 392 D HN 0.065 nan 8.370 nan 0.000 0.499 393 T N -3.391 111.165 114.554 0.004 0.000 3.209 393 T HA 0.224 4.574 4.350 0.000 0.000 0.295 393 T C 0.230 175.025 174.700 0.158 0.000 0.977 393 T CA -0.154 61.950 62.100 0.006 0.000 0.922 393 T CB 0.116 68.981 68.868 -0.004 0.000 1.152 393 T HN -0.114 nan 8.240 nan 0.000 0.527 394 T N 4.736 119.383 114.554 0.156 0.000 2.758 394 T HA 0.492 4.842 4.350 0.000 0.000 0.285 394 T C -2.822 171.766 174.700 -0.187 0.000 0.981 394 T CA -1.368 60.664 62.100 -0.113 0.000 0.965 394 T CB 1.402 70.250 68.868 -0.034 0.000 0.927 394 T HN 0.008 nan 8.240 nan 0.000 0.448 395 P HA 0.142 nan 4.420 nan 0.000 0.264 395 P C -0.886 176.293 177.300 -0.201 0.000 1.183 395 P CA 0.035 62.798 63.100 -0.562 0.000 0.763 395 P CB 0.365 31.660 31.700 -0.675 0.000 0.807 396 L N 3.814 124.900 121.223 -0.227 0.000 2.343 396 L HA 0.395 4.735 4.340 0.000 0.000 0.278 396 L C 0.095 176.895 176.870 -0.117 0.000 0.996 396 L CA -0.793 53.988 54.840 -0.099 0.000 0.831 396 L CB 1.405 43.509 42.059 0.075 0.000 1.232 396 L HN 0.261 nan 8.230 nan 0.000 0.413 397 L N 3.469 124.428 121.223 -0.439 0.000 2.360 397 L HA 0.344 4.684 4.340 0.000 0.000 0.276 397 L C -1.152 175.418 176.870 -0.502 0.000 1.121 397 L CA 0.179 54.648 54.840 -0.618 0.000 0.845 397 L CB 0.578 41.964 42.059 -1.121 0.000 1.143 397 L HN 0.434 nan 8.230 nan 0.000 0.452 398 F N 3.412 123.179 119.950 -0.305 0.000 2.536 398 F HA 0.341 4.868 4.527 0.000 0.000 0.322 398 F C -0.580 175.214 175.800 -0.009 0.000 1.144 398 F CA -0.560 57.320 58.000 -0.200 0.000 0.924 398 F CB 1.378 40.319 39.000 -0.099 0.000 1.181 398 F HN 0.197 nan 8.300 nan 0.000 0.438 399 Y N 2.732 123.024 120.300 -0.012 0.000 2.434 399 Y HA 0.530 5.081 4.550 0.000 0.000 0.341 399 Y C 0.919 176.832 175.900 0.021 0.000 0.965 399 Y CA -0.731 57.337 58.100 -0.054 0.000 1.205 399 Y CB 0.852 39.229 38.460 -0.139 0.000 1.121 399 Y HN 0.850 nan 8.280 nan 0.000 0.507 400 G N 3.269 112.188 108.800 0.199 0.000 2.596 400 G HA2 -0.308 3.653 3.960 0.000 0.000 0.304 400 G HA3 -0.308 3.653 3.960 0.000 0.000 0.304 400 G C 0.740 175.749 174.900 0.181 0.000 1.189 400 G CA 0.432 45.615 45.100 0.138 0.000 0.986 400 G HN 0.459 nan 8.290 nan 0.000 0.548 401 E N 1.676 121.976 120.200 0.166 0.000 2.499 401 E HA 0.272 4.622 4.350 0.000 0.000 0.199 401 E C 0.418 177.191 176.600 0.289 0.000 1.016 401 E CA 0.467 56.997 56.400 0.218 0.000 0.933 401 E CB 0.381 30.148 29.700 0.111 0.000 1.050 401 E HN 0.432 nan 8.360 nan 0.000 0.462 402 T N 1.209 115.873 114.554 0.182 0.000 2.829 402 T HA 0.334 4.684 4.350 0.000 0.000 0.282 402 T C -0.084 174.340 174.700 -0.459 0.000 0.990 402 T CA -0.587 61.484 62.100 -0.049 0.000 1.028 402 T CB 1.503 70.337 68.868 -0.057 0.000 0.951 402 T HN -0.015 nan 8.240 nan 0.000 0.460 403 L N 4.684 125.507 121.223 -0.667 0.000 2.319 403 L HA 0.317 4.657 4.340 0.000 0.000 0.280 403 L C 0.469 176.962 176.870 -0.628 0.000 1.099 403 L CA 0.013 54.227 54.840 -1.043 0.000 0.828 403 L CB 0.014 41.646 42.059 -0.712 0.000 1.150 403 L HN 0.570 nan 8.230 nan 0.000 0.442 404 I N 3.914 124.055 120.570 -0.716 0.000 2.947 404 I HA 0.438 4.608 4.170 0.000 0.000 0.263 404 I C 0.790 176.668 176.117 -0.397 0.000 1.130 404 I CA 0.766 61.712 61.300 -0.590 0.000 1.448 404 I CB -1.077 36.367 38.000 -0.926 0.000 1.222 404 I HN 0.688 nan 8.210 nan 0.000 0.453 405 A N 0.175 122.721 122.820 -0.457 0.000 2.586 405 A HA 0.801 5.121 4.320 0.000 0.000 0.291 405 A C -1.565 175.723 177.584 -0.493 0.000 1.062 405 A CA -0.080 51.731 52.037 -0.376 0.000 0.666 405 A CB 0.859 19.725 19.000 -0.222 0.000 1.281 405 A HN 0.113 nan 8.150 nan 0.000 0.421 406 A N 0.784 123.117 122.820 -0.811 0.000 2.293 406 A HA 0.754 5.074 4.320 0.000 0.000 0.312 406 A C 0.496 177.941 177.584 -0.232 0.000 1.309 406 A CA 0.161 51.810 52.037 -0.645 0.000 0.839 406 A CB 0.003 18.214 19.000 -1.315 0.000 1.155 406 A HN 2.552 nan 8.150 nan 0.000 0.501 407 A N 1.928 124.763 122.820 0.026 0.000 2.600 407 A HA 0.375 4.695 4.320 0.000 0.000 0.253 407 A C 1.731 179.370 177.584 0.092 0.000 0.997 407 A CA 1.235 53.279 52.037 0.012 0.000 0.820 407 A CB -0.722 18.157 19.000 -0.202 0.000 0.888 407 A HN 2.711 nan 8.150 nan 0.000 0.508 408 G N 0.958 109.813 108.800 0.091 0.000 2.200 408 G HA2 -0.248 3.713 3.960 0.000 0.000 0.267 408 G HA3 -0.248 3.713 3.960 0.000 0.000 0.267 408 G C 0.661 175.627 174.900 0.109 0.000 0.993 408 G CA 1.023 46.188 45.100 0.108 0.000 0.701 408 G HN 1.515 nan 8.290 nan 0.000 0.524 409 V N -1.671 118.286 119.914 0.071 0.000 3.029 409 V HA 0.648 4.769 4.120 0.000 0.000 0.230 409 V C 0.417 176.637 176.094 0.210 0.000 1.254 409 V CA 1.729 64.121 62.300 0.153 0.000 1.276 409 V CB -0.141 31.838 31.823 0.259 0.000 1.080 409 V HN 1.006 nan 8.190 nan 0.000 0.495 410 F N -1.887 118.117 119.950 0.090 0.000 2.773 410 F HA 0.846 5.373 4.527 0.000 0.000 0.314 410 F C -1.634 174.161 175.800 -0.007 0.000 1.160 410 F CA -1.417 56.599 58.000 0.027 0.000 0.920 410 F CB 1.331 40.322 39.000 -0.016 0.000 1.323 410 F HN -0.264 nan 8.300 nan 0.000 0.457 411 V N 1.571 121.691 119.914 0.343 0.000 2.588 411 V HA 0.579 4.699 4.120 0.000 0.000 0.304 411 V C -0.002 176.210 176.094 0.196 0.000 1.042 411 V CA -0.252 62.152 62.300 0.173 0.000 0.877 411 V CB 1.823 33.683 31.823 0.062 0.000 0.996 411 V HN 1.159 nan 8.190 nan 0.000 0.425 412 T N 1.415 116.037 114.554 0.114 0.000 2.813 412 T HA 0.160 4.510 4.350 0.000 0.000 0.297 412 T C 0.833 175.523 174.700 -0.016 0.000 1.036 412 T CA -0.035 62.074 62.100 0.015 0.000 1.044 412 T CB 0.957 69.788 68.868 -0.062 0.000 0.993 412 T HN 0.655 nan 8.240 nan 0.000 0.535 413 Q N 0.029 119.820 119.800 -0.016 0.000 2.172 413 Q HA -0.062 4.278 4.340 0.000 0.000 0.200 413 Q C 2.145 178.122 176.000 -0.039 0.000 0.964 413 Q CA 1.246 57.036 55.803 -0.021 0.000 0.855 413 Q CB -0.018 28.710 28.738 -0.016 0.000 0.918 413 Q HN 0.809 nan 8.270 nan 0.000 0.444 414 E N -0.510 119.661 120.200 -0.049 0.000 2.478 414 E HA -0.065 4.285 4.350 0.000 0.000 0.198 414 E C 1.281 177.839 176.600 -0.071 0.000 1.046 414 E CA 0.628 56.993 56.400 -0.057 0.000 0.870 414 E CB 0.167 29.830 29.700 -0.061 0.000 0.818 414 E HN 0.327 nan 8.360 nan 0.000 0.527 415 G N 0.773 109.520 108.800 -0.089 0.000 3.192 415 G HA2 0.128 4.089 3.960 0.000 0.000 0.239 415 G HA3 0.128 4.089 3.960 0.000 0.000 0.239 415 G C 0.491 175.351 174.900 -0.067 0.000 1.084 415 G CA -0.307 44.725 45.100 -0.113 0.000 0.784 415 G HN -0.042 nan 8.290 nan 0.000 0.540 416 V N 1.707 121.597 119.914 -0.040 0.000 2.740 416 V HA 0.433 4.553 4.120 0.000 0.000 0.303 416 V C 1.117 177.202 176.094 -0.015 0.000 1.054 416 V CA -0.656 61.632 62.300 -0.021 0.000 1.106 416 V CB 0.865 32.680 31.823 -0.014 0.000 0.957 416 V HN 0.386 nan 8.190 nan 0.000 0.486 417 A N 2.946 125.762 122.820 -0.007 0.000 2.545 417 A HA 0.105 4.425 4.320 0.000 0.000 0.253 417 A C 1.289 178.869 177.584 -0.007 0.000 1.074 417 A CA 0.172 52.206 52.037 -0.005 0.000 0.760 417 A CB -0.244 18.757 19.000 0.002 0.000 1.005 417 A HN 1.053 nan 8.150 nan 0.000 0.506 418 E N 3.069 123.263 120.200 -0.010 0.000 2.013 418 E HA -0.109 4.242 4.350 0.000 0.000 0.202 418 E C 1.670 178.265 176.600 -0.008 0.000 1.018 418 E CA 2.416 58.809 56.400 -0.012 0.000 0.834 418 E CB -0.396 29.295 29.700 -0.014 0.000 0.770 418 E HN 0.772 nan 8.360 nan 0.000 0.459 419 G N -0.693 108.103 108.800 -0.006 0.000 2.948 419 G HA2 -0.041 3.919 3.960 0.000 0.000 0.174 419 G HA3 -0.041 3.919 3.960 0.000 0.000 0.174 419 G C 0.762 175.662 174.900 0.000 0.000 1.839 419 G CA 0.780 45.878 45.100 -0.003 0.000 0.908 419 G HN 0.420 nan 8.290 nan 0.000 0.419 420 E N 0.179 120.380 120.200 0.003 0.000 2.633 420 E HA -0.026 4.325 4.350 0.000 0.000 0.222 420 E C 1.416 178.022 176.600 0.010 0.000 0.899 420 E CA 0.217 56.622 56.400 0.007 0.000 1.292 420 E CB -0.654 29.050 29.700 0.008 0.000 1.257 420 E HN 0.502 nan 8.360 nan 0.000 0.626 421 N N 3.123 121.829 118.700 0.009 0.000 2.014 421 N HA -0.159 4.582 4.740 0.000 0.000 0.194 421 N C 1.370 176.889 175.510 0.016 0.000 1.083 421 N CA 1.623 54.681 53.050 0.013 0.000 0.870 421 N CB -1.304 37.189 38.487 0.010 0.000 1.061 421 N HN 0.261 nan 8.380 nan 0.000 0.427 422 G N -0.087 108.720 108.800 0.011 0.000 2.939 422 G HA2 -0.104 3.856 3.960 0.000 0.000 0.278 422 G HA3 -0.104 3.856 3.960 0.000 0.000 0.278 422 G C -0.139 174.776 174.900 0.026 0.000 1.487 422 G CA 0.601 45.709 45.100 0.013 0.000 0.935 422 G HN 1.198 nan 8.290 nan 0.000 0.553 423 V N -3.507 116.427 119.914 0.032 0.000 3.158 423 V HA 0.960 5.080 4.120 0.000 0.000 0.315 423 V C 0.345 176.489 176.094 0.083 0.000 1.148 423 V CA -0.164 62.171 62.300 0.058 0.000 1.042 423 V CB 1.938 33.795 31.823 0.056 0.000 1.101 423 V HN 1.527 nan 8.190 nan 0.000 0.448 424 S N 1.263 117.034 115.700 0.117 0.000 2.498 424 S HA 0.602 5.072 4.470 0.000 0.000 0.317 424 S C -1.026 173.718 174.600 0.239 0.000 1.090 424 S CA -0.228 58.059 58.200 0.146 0.000 1.089 424 S CB 0.907 64.174 63.200 0.112 0.000 0.997 424 S HN 0.743 nan 8.310 nan 0.000 0.470 425 F N 5.842 125.833 119.950 0.069 0.000 2.405 425 F HA 0.455 4.982 4.527 0.000 0.000 0.358 425 F C -0.505 175.368 175.800 0.122 0.000 1.151 425 F CA -0.889 57.174 58.000 0.105 0.000 1.161 425 F CB -0.013 39.013 39.000 0.043 0.000 1.245 425 F HN 0.209 nan 8.300 nan 0.000 0.545 426 V N 6.874 126.775 119.914 -0.021 0.000 2.435 426 V HA 0.163 4.284 4.120 0.000 0.000 0.290 426 V C -0.841 175.195 176.094 -0.097 0.000 1.030 426 V CA -0.816 61.453 62.300 -0.052 0.000 0.881 426 V CB 1.304 33.160 31.823 0.055 0.000 0.983 426 V HN 0.728 nan 8.190 nan 0.000 0.445 427 W N 4.895 126.023 121.300 -0.286 0.000 2.376 427 W HA 0.583 5.243 4.660 0.000 0.000 0.312 427 W C -0.352 176.093 176.519 -0.124 0.000 1.060 427 W CA -1.157 56.037 57.345 -0.252 0.000 1.221 427 W CB 1.182 30.485 29.460 -0.262 0.000 1.281 427 W HN 0.562 nan 8.180 nan 0.000 0.456 428 Q N 4.469 124.347 119.800 0.129 0.000 2.333 428 Q HA 0.400 4.740 4.340 0.000 0.000 0.267 428 Q C -0.787 175.121 176.000 -0.153 0.000 1.012 428 Q CA -0.578 55.179 55.803 -0.077 0.000 0.824 428 Q CB 1.868 30.613 28.738 0.012 0.000 1.290 428 Q HN 0.364 nan 8.270 nan 0.000 0.449 429 K N 1.316 121.544 120.400 -0.287 0.000 2.221 429 K HA 0.442 4.762 4.320 0.000 0.000 0.258 429 K C -0.736 175.795 176.600 -0.115 0.000 0.944 429 K CA -0.534 55.615 56.287 -0.230 0.000 0.823 429 K CB 1.734 34.003 32.500 -0.385 0.000 1.113 429 K HN 0.545 nan 8.250 nan 0.000 0.431 430 T N 1.684 116.203 114.554 -0.057 0.000 2.813 430 T HA 0.057 4.407 4.350 0.000 0.000 0.297 430 T C 0.493 175.167 174.700 -0.043 0.000 1.036 430 T CA -0.683 61.396 62.100 -0.036 0.000 1.044 430 T CB 0.406 69.266 68.868 -0.014 0.000 0.993 430 T HN 0.471 nan 8.240 nan 0.000 0.535 431 L N 2.724 123.929 121.223 -0.030 0.000 2.852 431 L HA -0.031 4.309 4.340 0.000 0.000 0.281 431 L C 0.331 177.186 176.870 -0.024 0.000 1.110 431 L CA 0.364 55.189 54.840 -0.026 0.000 1.030 431 L CB -1.263 40.786 42.059 -0.016 0.000 1.405 431 L HN 0.926 nan 8.230 nan 0.000 0.464 432 S N 0.000 115.684 115.700 -0.027 0.000 2.498 432 S HA 0.000 4.470 4.470 0.000 0.000 0.327 432 S CA 0.000 58.190 58.200 -0.016 0.000 1.107 432 S CB 0.000 63.203 63.200 0.004 0.000 0.593 432 S HN 0.000 nan 8.310 nan 0.000 0.517