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 2zkl_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNIVITGAKG FVGKNLKADL TSTTDHHIFE VHRQTKEEEL ESALLKADFI DATA SEQUENCE VHLAGVXXXX XXXXFSLGNV SYLDHVLDIL TRNTKKPAIL LSSSIQATQD DATA SEQUENCE NPYGESKLQG EQLLREYAEE YGNTVYIYRW PNLFGKWCKP NYNSVIATFC DATA SEQUENCE YKIARNEEIQ VNDRNVELTL NYVDDIVAEI KRAIEGTPTI ENGVPTVPNV DATA SEQUENCE FKVTLGEIVD LLYKFKQSRL DRTLPKLDNL FEKDLYSTYL SYLPSTDFSY DATA SEQUENCE PLLMNVDDRG SFTEFIKTPD RGQVSVNISK PGITKGNHWH HTKNEKFLVV DATA SEQUENCE SGKGVIRFRH VNDDEIIEYY VSGDKLEVVD IPVGYTHNIE NLGDTDMVTI DATA SEQUENCE MWVNEMFDPN QPDTYFLEV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.394 176.300 0.157 0.000 1.140 1 M CA 0.000 55.384 55.300 0.140 0.000 0.988 1 M CB 0.000 32.606 32.600 0.010 0.000 1.302 2 N N 1.066 119.854 118.700 0.146 0.000 2.422 2 N HA 0.596 5.336 4.740 -0.001 0.000 0.266 2 N C -1.397 174.223 175.510 0.183 0.000 1.007 2 N CA -0.625 52.569 53.050 0.239 0.000 0.941 2 N CB 1.256 39.825 38.487 0.136 0.000 1.115 2 N HN 0.350 nan 8.380 nan 0.000 0.492 3 I N 3.321 124.058 120.570 0.278 0.000 2.389 3 I HA 0.253 4.422 4.170 -0.001 0.000 0.288 3 I C 0.199 176.507 176.117 0.318 0.000 0.999 3 I CA -0.952 60.489 61.300 0.236 0.000 1.129 3 I CB 1.141 39.223 38.000 0.137 0.000 1.288 3 I HN 0.168 nan 8.210 nan 0.000 0.444 4 V N 5.037 125.090 119.914 0.233 0.000 2.483 4 V HA 0.657 4.777 4.120 -0.001 0.000 0.295 4 V C -0.253 175.964 176.094 0.206 0.000 1.035 4 V CA -0.595 61.835 62.300 0.216 0.000 0.896 4 V CB 2.146 34.020 31.823 0.085 0.000 0.986 4 V HN 0.518 nan 8.190 nan 0.000 0.447 5 I N 4.577 125.264 120.570 0.196 0.000 2.382 5 I HA 0.397 4.567 4.170 -0.001 0.000 0.285 5 I C 0.583 176.788 176.117 0.147 0.000 1.007 5 I CA -0.318 61.079 61.300 0.163 0.000 1.142 5 I CB 2.047 40.129 38.000 0.136 0.000 1.289 5 I HN 0.942 nan 8.210 nan 0.000 0.453 6 T N 1.606 116.242 114.554 0.138 0.000 2.910 6 T HA 0.484 4.833 4.350 -0.001 0.000 0.293 6 T C 1.072 175.777 174.700 0.009 0.000 1.015 6 T CA 0.215 62.390 62.100 0.125 0.000 1.094 6 T CB 1.564 70.576 68.868 0.238 0.000 0.968 6 T HN 1.025 nan 8.240 nan 0.000 0.521 7 G N 1.111 109.899 108.800 -0.020 0.000 2.221 7 G HA2 -0.108 3.852 3.960 -0.001 0.000 0.265 7 G HA3 -0.108 3.852 3.960 -0.001 0.000 0.265 7 G C 0.935 175.850 174.900 0.025 0.000 1.041 7 G CA 0.105 45.181 45.100 -0.041 0.000 0.807 7 G HN 1.557 nan 8.290 nan 0.000 0.502 8 A N -1.003 121.861 122.820 0.072 0.000 2.178 8 A HA 0.200 4.519 4.320 -0.001 0.000 0.218 8 A C 2.105 179.710 177.584 0.034 0.000 1.157 8 A CA 2.103 54.183 52.037 0.072 0.000 0.689 8 A CB -0.139 18.929 19.000 0.113 0.000 0.787 8 A HN 0.339 nan 8.150 nan 0.000 0.465 9 K N -0.061 120.349 120.400 0.016 0.000 2.404 9 K HA 0.207 4.526 4.320 -0.001 0.000 0.194 9 K C 0.964 177.560 176.600 -0.007 0.000 1.023 9 K CA 0.406 56.667 56.287 -0.044 0.000 1.094 9 K CB -0.065 32.369 32.500 -0.110 0.000 0.841 9 K HN 0.396 nan 8.250 nan 0.000 0.523 10 G N -0.745 108.071 108.800 0.026 0.000 2.547 10 G HA2 0.118 4.078 3.960 -0.001 0.000 0.291 10 G HA3 0.118 4.078 3.960 -0.001 0.000 0.291 10 G C 0.509 175.491 174.900 0.137 0.000 1.211 10 G CA -0.591 44.546 45.100 0.062 0.000 0.950 10 G HN 0.128 nan 8.290 nan 0.000 0.504 11 F N 0.617 120.577 119.950 0.017 0.000 2.027 11 F HA -0.214 4.312 4.527 -0.001 0.000 0.297 11 F C 2.538 178.365 175.800 0.046 0.000 1.129 11 F CA 2.301 60.331 58.000 0.050 0.000 1.195 11 F CB -0.723 38.290 39.000 0.021 0.000 0.960 11 F HN 0.064 nan 8.300 nan 0.000 0.485 12 V N 0.943 120.607 119.914 -0.417 0.000 2.407 12 V HA -0.197 3.923 4.120 -0.001 0.000 0.248 12 V C 2.782 178.758 176.094 -0.198 0.000 1.055 12 V CA 1.722 63.717 62.300 -0.508 0.000 1.049 12 V CB -1.819 29.847 31.823 -0.262 0.000 0.662 12 V HN 0.623 nan 8.190 nan 0.000 0.455 13 G N 0.481 109.252 108.800 -0.048 0.000 2.480 13 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.216 13 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.216 13 G C 1.593 176.515 174.900 0.037 0.000 1.200 13 G CA 0.993 46.100 45.100 0.011 0.000 0.782 13 G HN 0.493 nan 8.290 nan 0.000 0.554 14 K N 0.476 120.929 120.400 0.088 0.000 2.103 14 K HA -0.122 4.197 4.320 -0.001 0.000 0.207 14 K C 2.342 179.137 176.600 0.326 0.000 1.048 14 K CA 1.486 57.876 56.287 0.170 0.000 0.930 14 K CB -0.300 32.320 32.500 0.200 0.000 0.716 14 K HN 0.290 nan 8.250 nan 0.000 0.444 15 N N 0.854 119.675 118.700 0.201 0.000 2.106 15 N HA -0.136 4.604 4.740 -0.001 0.000 0.188 15 N C 1.682 177.153 175.510 -0.064 0.000 1.029 15 N CA 0.568 53.601 53.050 -0.030 0.000 0.848 15 N CB -0.082 38.165 38.487 -0.400 0.000 1.007 15 N HN -0.000 nan 8.380 nan 0.000 0.423 16 L N 1.759 122.932 121.223 -0.083 0.000 2.046 16 L HA -0.111 4.229 4.340 -0.001 0.000 0.208 16 L C 2.032 178.899 176.870 -0.004 0.000 1.077 16 L CA 1.762 56.564 54.840 -0.064 0.000 0.747 16 L CB -0.556 41.476 42.059 -0.045 0.000 0.896 16 L HN 0.076 nan 8.230 nan 0.000 0.432 17 K N -0.554 119.866 120.400 0.035 0.000 2.026 17 K HA -0.193 4.126 4.320 -0.001 0.000 0.208 17 K C 1.972 178.601 176.600 0.049 0.000 1.048 17 K CA 1.507 57.822 56.287 0.047 0.000 0.929 17 K CB -0.280 32.249 32.500 0.050 0.000 0.713 17 K HN 0.427 nan 8.250 nan 0.000 0.439 18 A N 1.863 124.742 122.820 0.098 0.000 1.883 18 A HA -0.245 4.074 4.320 -0.001 0.000 0.217 18 A C 2.044 179.658 177.584 0.049 0.000 1.186 18 A CA 2.132 54.239 52.037 0.117 0.000 0.624 18 A CB -0.832 18.354 19.000 0.309 0.000 0.822 18 A HN 0.606 nan 8.150 nan 0.000 0.444 19 D N -0.472 119.933 120.400 0.009 0.000 2.078 19 D HA -0.139 4.501 4.640 -0.001 0.000 0.193 19 D C 1.889 178.174 176.300 -0.026 0.000 0.990 19 D CA 1.351 55.331 54.000 -0.033 0.000 0.827 19 D CB -0.156 40.596 40.800 -0.080 0.000 0.975 19 D HN 0.172 nan 8.370 nan 0.000 0.451 20 L N 1.011 122.225 121.223 -0.014 0.000 2.043 20 L HA -0.177 4.163 4.340 -0.001 0.000 0.212 20 L C 2.885 179.753 176.870 -0.003 0.000 1.075 20 L CA 2.200 57.041 54.840 0.001 0.000 0.752 20 L CB -1.621 40.459 42.059 0.036 0.000 0.891 20 L HN 0.297 nan 8.230 nan 0.000 0.432 21 T N -5.416 109.138 114.554 0.000 0.000 2.867 21 T HA -0.089 4.261 4.350 -0.001 0.000 0.268 21 T C 1.914 176.597 174.700 -0.029 0.000 1.057 21 T CA 1.446 63.537 62.100 -0.015 0.000 1.136 21 T CB -0.315 68.544 68.868 -0.015 0.000 0.874 21 T HN 0.225 nan 8.240 nan 0.000 0.466 22 S N 0.753 116.439 115.700 -0.024 0.000 2.441 22 S HA 0.067 4.537 4.470 -0.001 0.000 0.224 22 S C 2.116 176.692 174.600 -0.041 0.000 1.043 22 S CA 0.751 58.934 58.200 -0.029 0.000 0.948 22 S CB -0.246 62.943 63.200 -0.017 0.000 0.810 22 S HN 0.568 nan 8.310 nan 0.000 0.504 23 T N 1.098 115.624 114.554 -0.047 0.000 3.065 23 T HA 0.183 4.533 4.350 -0.001 0.000 0.252 23 T C 0.635 175.283 174.700 -0.086 0.000 1.099 23 T CA 0.651 62.715 62.100 -0.059 0.000 1.063 23 T CB 0.245 69.079 68.868 -0.057 0.000 0.948 23 T HN 0.258 nan 8.240 nan 0.000 0.506 24 T N -0.124 114.370 114.554 -0.100 0.000 2.804 24 T HA 0.316 4.666 4.350 -0.001 0.000 0.290 24 T C -0.507 174.091 174.700 -0.169 0.000 1.099 24 T CA -0.644 61.348 62.100 -0.181 0.000 1.011 24 T CB 1.751 70.465 68.868 -0.257 0.000 1.291 24 T HN -0.238 nan 8.240 nan 0.000 0.523 25 D N -0.465 119.781 120.400 -0.258 0.000 2.392 25 D HA 0.148 4.787 4.640 -0.001 0.000 0.206 25 D C 0.239 176.509 176.300 -0.050 0.000 1.046 25 D CA 0.336 54.250 54.000 -0.144 0.000 0.865 25 D CB -0.050 40.677 40.800 -0.122 0.000 0.969 25 D HN 0.570 nan 8.370 nan 0.000 0.509 26 H N 0.291 119.376 119.070 0.024 0.000 3.016 26 H HA -0.051 4.505 4.556 -0.001 0.000 0.345 26 H C 0.622 176.006 175.328 0.093 0.000 1.066 26 H CA 0.116 56.206 56.048 0.069 0.000 1.390 26 H CB 0.549 30.347 29.762 0.059 0.000 1.344 26 H HN 0.011 nan 8.280 nan 0.000 0.605 27 H N 3.627 122.797 119.070 0.167 0.000 2.668 27 H HA 0.112 4.668 4.556 -0.001 0.000 0.303 27 H C -0.744 174.575 175.328 -0.014 0.000 1.074 27 H CA -0.931 55.119 56.048 0.003 0.000 1.406 27 H CB 0.029 29.801 29.762 0.016 0.000 1.442 27 H HN 0.369 nan 8.280 nan 0.000 0.482 28 I N 7.027 127.728 120.570 0.218 0.000 2.321 28 I HA 0.136 4.306 4.170 -0.001 0.000 0.291 28 I C -0.402 175.702 176.117 -0.020 0.000 0.998 28 I CA -0.665 60.720 61.300 0.140 0.000 1.227 28 I CB 0.023 38.084 38.000 0.100 0.000 1.368 28 I HN 0.369 nan 8.210 nan 0.000 0.466 29 F N 4.248 124.264 119.950 0.111 0.000 2.388 29 F HA 0.388 4.914 4.527 -0.001 0.000 0.358 29 F C 0.818 176.670 175.800 0.087 0.000 1.122 29 F CA -0.737 57.306 58.000 0.072 0.000 1.056 29 F CB 0.937 39.929 39.000 -0.013 0.000 1.155 29 F HN 0.405 nan 8.300 nan 0.000 0.461 30 E N 2.454 122.789 120.200 0.226 0.000 2.283 30 E HA 0.552 4.901 4.350 -0.001 0.000 0.278 30 E C -1.027 175.706 176.600 0.223 0.000 1.027 30 E CA -0.627 55.895 56.400 0.202 0.000 0.843 30 E CB 1.995 31.794 29.700 0.165 0.000 1.062 30 E HN 0.285 nan 8.360 nan 0.000 0.401 31 V N 4.772 124.806 119.914 0.201 0.000 2.482 31 V HA 0.256 4.375 4.120 -0.001 0.000 0.295 31 V C -0.300 175.878 176.094 0.139 0.000 1.026 31 V CA -0.832 61.549 62.300 0.135 0.000 0.856 31 V CB 1.000 32.904 31.823 0.136 0.000 1.001 31 V HN 0.704 nan 8.190 nan 0.000 0.424 32 H N 3.255 122.348 119.070 0.038 0.000 2.864 32 H HA 0.547 5.102 4.556 -0.001 0.000 0.354 32 H C -0.477 174.835 175.328 -0.026 0.000 1.208 32 H CA -1.354 54.685 56.048 -0.015 0.000 1.191 32 H CB 1.752 31.507 29.762 -0.012 0.000 1.889 32 H HN 0.350 nan 8.280 nan 0.000 0.574 33 R N 1.015 121.521 120.500 0.010 0.000 4.154 33 R HA 0.044 4.384 4.340 -0.001 0.000 0.186 33 R C -0.164 176.149 176.300 0.021 0.000 1.750 33 R CA 0.396 56.472 56.100 -0.041 0.000 1.431 33 R CB -0.288 29.976 30.300 -0.061 0.000 1.383 33 R HN 0.641 nan 8.270 nan 0.000 0.788 34 Q N -0.425 119.331 119.800 -0.072 0.000 1.524 34 Q HA -0.008 4.331 4.340 -0.001 0.000 0.143 34 Q C -0.996 174.893 176.000 -0.185 0.000 0.744 34 Q CA 0.065 55.855 55.803 -0.022 0.000 0.714 34 Q CB 0.913 29.749 28.738 0.163 0.000 1.220 34 Q HN 0.178 nan 8.270 nan 0.000 0.334 35 T N 2.029 116.393 114.554 -0.318 0.000 2.832 35 T HA 0.294 4.643 4.350 -0.001 0.000 0.313 35 T C 0.003 174.640 174.700 -0.104 0.000 1.035 35 T CA -0.285 61.643 62.100 -0.286 0.000 0.950 35 T CB 0.646 69.307 68.868 -0.344 0.000 0.984 35 T HN 0.004 nan 8.240 nan 0.000 0.486 36 K N 2.615 122.984 120.400 -0.052 0.000 2.586 36 K HA -0.073 4.246 4.320 -0.001 0.000 0.280 36 K C 1.327 177.919 176.600 -0.013 0.000 0.972 36 K CA -0.117 56.161 56.287 -0.014 0.000 1.040 36 K CB 0.544 33.046 32.500 0.003 0.000 0.870 36 K HN 0.484 nan 8.250 nan 0.000 0.497 37 E N 2.776 122.976 120.200 0.001 0.000 2.219 37 E HA -0.241 4.108 4.350 -0.001 0.000 0.198 37 E C 1.337 177.941 176.600 0.008 0.000 0.998 37 E CA 1.290 57.693 56.400 0.005 0.000 0.818 37 E CB 0.188 29.911 29.700 0.038 0.000 0.741 37 E HN 0.485 nan 8.360 nan 0.000 0.477 38 E N 0.711 120.917 120.200 0.010 0.000 2.023 38 E HA -0.209 4.140 4.350 -0.001 0.000 0.196 38 E C 1.946 178.550 176.600 0.006 0.000 1.003 38 E CA 1.339 57.745 56.400 0.010 0.000 0.809 38 E CB -0.320 29.389 29.700 0.014 0.000 0.755 38 E HN 0.513 nan 8.360 nan 0.000 0.449 39 E N 1.442 121.647 120.200 0.009 0.000 2.208 39 E HA -0.127 4.223 4.350 -0.001 0.000 0.193 39 E C 2.385 178.984 176.600 -0.002 0.000 0.988 39 E CA 0.381 56.790 56.400 0.015 0.000 0.828 39 E CB -0.704 29.018 29.700 0.037 0.000 0.763 39 E HN 0.240 nan 8.360 nan 0.000 0.478 40 L N 1.050 122.264 121.223 -0.015 0.000 2.013 40 L HA -0.227 4.113 4.340 -0.001 0.000 0.212 40 L C 2.413 179.257 176.870 -0.044 0.000 1.073 40 L CA 1.978 56.800 54.840 -0.030 0.000 0.753 40 L CB -0.170 41.855 42.059 -0.056 0.000 0.890 40 L HN 0.139 nan 8.230 nan 0.000 0.432 41 E N -1.046 119.135 120.200 -0.031 0.000 2.072 41 E HA -0.221 4.129 4.350 -0.001 0.000 0.191 41 E C 2.166 178.727 176.600 -0.064 0.000 0.985 41 E CA 1.252 57.629 56.400 -0.038 0.000 0.801 41 E CB -0.159 29.530 29.700 -0.019 0.000 0.750 41 E HN 0.429 nan 8.360 nan 0.000 0.452 42 S N 0.881 116.549 115.700 -0.052 0.000 2.392 42 S HA -0.276 4.193 4.470 -0.001 0.000 0.225 42 S C 2.198 176.703 174.600 -0.158 0.000 1.041 42 S CA 1.733 59.892 58.200 -0.068 0.000 1.100 42 S CB -0.347 62.843 63.200 -0.018 0.000 1.029 42 S HN 0.354 nan 8.310 nan 0.000 0.424 43 A N 1.426 124.139 122.820 -0.178 0.000 1.883 43 A HA -0.026 4.293 4.320 -0.001 0.000 0.217 43 A C 2.351 179.713 177.584 -0.370 0.000 1.186 43 A CA 1.769 53.564 52.037 -0.403 0.000 0.624 43 A CB -1.016 17.870 19.000 -0.191 0.000 0.822 43 A HN 0.608 nan 8.150 nan 0.000 0.444 44 L N -0.964 120.140 121.223 -0.198 0.000 2.042 44 L HA -0.194 4.145 4.340 -0.001 0.000 0.210 44 L C 2.436 179.206 176.870 -0.166 0.000 1.076 44 L CA 0.791 55.536 54.840 -0.159 0.000 0.749 44 L CB -0.511 41.482 42.059 -0.110 0.000 0.893 44 L HN 0.299 nan 8.230 nan 0.000 0.432 45 L N -0.153 120.977 121.223 -0.155 0.000 2.093 45 L HA -0.171 4.169 4.340 -0.001 0.000 0.208 45 L C 2.404 179.181 176.870 -0.155 0.000 1.085 45 L CA 1.699 56.461 54.840 -0.130 0.000 0.755 45 L CB -0.943 41.057 42.059 -0.099 0.000 0.904 45 L HN 0.205 nan 8.230 nan 0.000 0.435 46 K N -0.287 119.970 120.400 -0.238 0.000 2.217 46 K HA 0.069 4.389 4.320 -0.001 0.000 0.202 46 K C 1.019 177.456 176.600 -0.271 0.000 1.051 46 K CA 0.412 56.534 56.287 -0.275 0.000 0.952 46 K CB -0.133 32.090 32.500 -0.462 0.000 0.736 46 K HN 0.263 nan 8.250 nan 0.000 0.453 47 A N 1.837 124.481 122.820 -0.293 0.000 2.587 47 A HA -0.128 4.192 4.320 -0.001 0.000 0.233 47 A C 0.263 177.804 177.584 -0.073 0.000 1.049 47 A CA 0.585 52.511 52.037 -0.185 0.000 0.754 47 A CB 0.114 19.026 19.000 -0.147 0.000 0.977 47 A HN 0.208 nan 8.150 nan 0.000 0.509 48 D N -0.311 120.091 120.400 0.003 0.000 2.473 48 D HA 0.229 4.869 4.640 -0.001 0.000 0.230 48 D C -0.800 175.579 176.300 0.132 0.000 1.097 48 D CA 0.826 54.858 54.000 0.054 0.000 0.861 48 D CB 0.499 41.342 40.800 0.072 0.000 1.114 48 D HN 0.470 nan 8.370 nan 0.000 0.500 49 F N 0.832 120.771 119.950 -0.020 0.000 2.622 49 F HA 0.366 4.893 4.527 -0.001 0.000 0.318 49 F C -1.859 173.954 175.800 0.021 0.000 1.135 49 F CA -0.900 57.107 58.000 0.011 0.000 1.015 49 F CB 1.477 40.478 39.000 0.002 0.000 1.275 49 F HN -0.385 nan 8.300 nan 0.000 0.457 50 I N 6.168 126.684 120.570 -0.091 0.000 2.389 50 I HA 0.391 4.560 4.170 -0.001 0.000 0.288 50 I C -0.876 175.354 176.117 0.188 0.000 0.999 50 I CA -0.687 60.654 61.300 0.068 0.000 1.129 50 I CB 1.778 39.748 38.000 -0.049 0.000 1.288 50 I HN 0.282 nan 8.210 nan 0.000 0.444 51 V N 5.918 126.022 119.914 0.317 0.000 2.288 51 V HA 0.172 4.291 4.120 -0.001 0.000 0.266 51 V C -0.216 176.008 176.094 0.216 0.000 1.048 51 V CA -0.701 61.787 62.300 0.314 0.000 0.842 51 V CB 0.113 32.103 31.823 0.279 0.000 1.064 51 V HN 0.585 nan 8.190 nan 0.000 0.472 52 H N 5.114 124.236 119.070 0.086 0.000 2.969 52 H HA 0.349 4.904 4.556 -0.001 0.000 0.269 52 H C 0.342 175.692 175.328 0.037 0.000 1.223 52 H CA -0.431 55.653 56.048 0.059 0.000 1.400 52 H CB 0.841 30.613 29.762 0.016 0.000 1.500 52 H HN 0.420 nan 8.280 nan 0.000 0.486 53 L N 3.516 124.610 121.223 -0.215 0.000 2.590 53 L HA 0.381 4.720 4.340 -0.001 0.000 0.227 53 L C 1.370 178.107 176.870 -0.221 0.000 1.099 53 L CA 0.528 55.284 54.840 -0.139 0.000 0.872 53 L CB -0.838 41.229 42.059 0.013 0.000 1.088 53 L HN 0.635 nan 8.230 nan 0.000 0.479 54 A N -0.177 122.384 122.820 -0.432 0.000 2.475 54 A HA 0.447 4.767 4.320 -0.001 0.000 0.239 54 A C 1.169 178.627 177.584 -0.211 0.000 1.087 54 A CA 0.494 52.324 52.037 -0.346 0.000 0.779 54 A CB -0.436 18.285 19.000 -0.466 0.000 1.036 54 A HN 0.307 nan 8.150 nan 0.000 0.506 55 G N -0.891 107.836 108.800 -0.123 0.000 2.525 55 G HA2 0.421 4.381 3.960 -0.001 0.000 0.276 55 G HA3 0.421 4.381 3.960 -0.001 0.000 0.276 55 G C 0.426 175.366 174.900 0.067 0.000 1.388 55 G CA -0.001 45.101 45.100 0.003 0.000 1.050 55 G HN 0.856 nan 8.290 nan 0.000 0.520 66 S N -0.227 115.591 115.700 0.197 0.000 2.522 66 S HA 0.220 4.689 4.470 -0.001 0.000 0.227 66 S C 0.318 174.974 174.600 0.094 0.000 0.986 66 S CA 0.396 58.667 58.200 0.118 0.000 0.929 66 S CB 0.397 63.646 63.200 0.082 0.000 0.769 66 S HN 0.400 nan 8.310 nan 0.000 0.529 67 L N 0.544 121.823 121.223 0.093 0.000 2.371 67 L HA 0.738 5.077 4.340 -0.001 0.000 0.262 67 L C 0.294 177.174 176.870 0.018 0.000 1.006 67 L CA -0.191 54.678 54.840 0.048 0.000 0.818 67 L CB 1.969 44.048 42.059 0.034 0.000 1.354 67 L HN 0.355 nan 8.230 nan 0.000 0.415 68 G N 1.214 110.012 108.800 -0.002 0.000 2.650 68 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.686 68 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.686 68 G C -1.222 173.668 174.900 -0.017 0.000 1.205 68 G CA -0.912 44.166 45.100 -0.037 0.000 0.781 68 G HN 0.731 nan 8.290 nan 0.000 0.648 69 N N -0.282 118.404 118.700 -0.024 0.000 2.416 69 N HA 0.335 5.074 4.740 -0.001 0.000 0.265 69 N C 1.167 176.686 175.510 0.014 0.000 1.195 69 N CA 0.580 53.629 53.050 -0.001 0.000 0.943 69 N CB 1.081 39.562 38.487 -0.010 0.000 1.115 69 N HN 1.528 nan 8.380 nan 0.000 0.481 70 V N 1.128 121.076 119.914 0.056 0.000 3.070 70 V HA 0.329 4.449 4.120 -0.001 0.000 0.345 70 V C 0.521 176.697 176.094 0.136 0.000 1.403 70 V CA -0.737 61.625 62.300 0.104 0.000 1.155 70 V CB -0.340 31.570 31.823 0.145 0.000 1.140 70 V HN 0.534 nan 8.190 nan 0.000 0.505 71 S N 0.257 116.022 115.700 0.107 0.000 2.465 71 S HA 0.246 4.716 4.470 -0.001 0.000 0.280 71 S C 0.603 175.301 174.600 0.164 0.000 1.232 71 S CA -0.159 58.114 58.200 0.122 0.000 1.066 71 S CB 0.223 63.462 63.200 0.066 0.000 0.929 71 S HN 0.626 nan 8.310 nan 0.000 0.494 72 Y N 5.433 125.785 120.300 0.087 0.000 2.314 72 Y HA -0.012 4.537 4.550 -0.001 0.000 0.293 72 Y C 1.657 177.600 175.900 0.073 0.000 1.129 72 Y CA 1.596 59.752 58.100 0.094 0.000 1.201 72 Y CB -0.100 38.422 38.460 0.103 0.000 0.999 72 Y HN 0.743 nan 8.280 nan 0.000 0.541 73 L N 0.550 121.832 121.223 0.099 0.000 2.056 73 L HA -0.128 4.211 4.340 -0.001 0.000 0.207 73 L C 1.933 178.668 176.870 -0.223 0.000 1.078 73 L CA 2.417 57.142 54.840 -0.191 0.000 0.749 73 L CB -0.973 40.987 42.059 -0.165 0.000 0.901 73 L HN 0.294 nan 8.230 nan 0.000 0.433 74 D N -1.493 118.847 120.400 -0.099 0.000 2.104 74 D HA -0.314 4.325 4.640 -0.001 0.000 0.194 74 D C 2.260 178.507 176.300 -0.087 0.000 0.994 74 D CA 1.607 55.559 54.000 -0.081 0.000 0.830 74 D CB -0.189 40.596 40.800 -0.025 0.000 0.959 74 D HN 0.532 nan 8.370 nan 0.000 0.452 75 H N -0.011 118.943 119.070 -0.194 0.000 2.319 75 H HA -0.075 4.480 4.556 -0.001 0.000 0.299 75 H C 2.211 177.368 175.328 -0.284 0.000 1.092 75 H CA 1.531 57.447 56.048 -0.219 0.000 1.302 75 H CB -0.510 29.106 29.762 -0.243 0.000 1.373 75 H HN 0.110 nan 8.280 nan 0.000 0.497 76 V N 1.205 120.998 119.914 -0.201 0.000 2.287 76 V HA -0.262 3.858 4.120 -0.001 0.000 0.248 76 V C 3.075 179.027 176.094 -0.237 0.000 1.053 76 V CA 1.735 63.875 62.300 -0.267 0.000 1.027 76 V CB -0.660 30.925 31.823 -0.396 0.000 0.646 76 V HN 0.308 nan 8.190 nan 0.000 0.447 77 L N -0.156 120.873 121.223 -0.323 0.000 2.083 77 L HA -0.201 4.139 4.340 -0.001 0.000 0.209 77 L C 2.375 179.174 176.870 -0.118 0.000 1.083 77 L CA 1.903 56.475 54.840 -0.447 0.000 0.752 77 L CB -0.653 40.968 42.059 -0.729 0.000 0.899 77 L HN 0.416 nan 8.230 nan 0.000 0.433 78 D N 0.645 120.998 120.400 -0.079 0.000 2.104 78 D HA -0.214 4.426 4.640 -0.001 0.000 0.194 78 D C 2.136 178.389 176.300 -0.078 0.000 0.994 78 D CA 1.516 55.482 54.000 -0.057 0.000 0.830 78 D CB -0.005 40.713 40.800 -0.137 0.000 0.959 78 D HN 0.257 nan 8.370 nan 0.000 0.452 79 I N -0.025 120.501 120.570 -0.073 0.000 2.315 79 I HA -0.199 3.970 4.170 -0.001 0.000 0.248 79 I C 2.274 178.341 176.117 -0.083 0.000 1.117 79 I CA 0.511 61.774 61.300 -0.062 0.000 1.404 79 I CB -0.187 37.802 38.000 -0.019 0.000 1.071 79 I HN 0.108 nan 8.210 nan 0.000 0.419 80 L N 0.055 121.222 121.223 -0.094 0.000 2.353 80 L HA -0.181 4.159 4.340 -0.001 0.000 0.220 80 L C 2.524 179.333 176.870 -0.101 0.000 1.133 80 L CA 0.920 55.704 54.840 -0.094 0.000 0.798 80 L CB -0.716 41.277 42.059 -0.111 0.000 0.922 80 L HN 0.263 nan 8.230 nan 0.000 0.445 81 T N -0.097 114.379 114.554 -0.131 0.000 2.778 81 T HA -0.197 4.152 4.350 -0.001 0.000 0.269 81 T C 1.405 175.969 174.700 -0.226 0.000 1.050 81 T CA 1.358 63.274 62.100 -0.307 0.000 1.137 81 T CB -0.107 68.587 68.868 -0.290 0.000 0.860 81 T HN 0.262 nan 8.240 nan 0.000 0.468 82 R N 1.583 122.001 120.500 -0.136 0.000 2.978 82 R HA 0.270 4.609 4.340 -0.001 0.000 0.298 82 R C -0.088 176.162 176.300 -0.083 0.000 1.296 82 R CA -0.173 55.868 56.100 -0.097 0.000 1.181 82 R CB 0.020 30.275 30.300 -0.075 0.000 1.348 82 R HN 0.081 nan 8.270 nan 0.000 0.585 83 N N 0.322 118.968 118.700 -0.090 0.000 2.501 83 N HA 0.063 4.802 4.740 -0.001 0.000 0.245 83 N C 0.262 175.740 175.510 -0.054 0.000 0.974 83 N CA 0.035 53.042 53.050 -0.072 0.000 0.941 83 N CB 1.221 39.661 38.487 -0.077 0.000 1.122 83 N HN -0.013 nan 8.380 nan 0.000 0.507 84 T N 2.802 117.331 114.554 -0.041 0.000 2.564 84 T HA -0.248 4.102 4.350 -0.001 0.000 0.264 84 T C 0.538 175.227 174.700 -0.019 0.000 1.100 84 T CA 1.510 63.594 62.100 -0.026 0.000 1.171 84 T CB -0.187 68.669 68.868 -0.020 0.000 0.863 84 T HN 0.599 nan 8.240 nan 0.000 0.430 85 K N 1.704 122.093 120.400 -0.018 0.000 2.219 85 K HA 0.315 4.634 4.320 -0.001 0.000 0.258 85 K C -0.426 176.165 176.600 -0.014 0.000 1.008 85 K CA -0.168 56.113 56.287 -0.009 0.000 0.928 85 K CB 0.475 32.972 32.500 -0.005 0.000 0.983 85 K HN 0.083 nan 8.250 nan 0.000 0.484 86 K N 2.264 122.661 120.400 -0.005 0.000 2.403 86 K HA 0.174 4.493 4.320 -0.001 0.000 0.235 86 K C -2.283 174.303 176.600 -0.023 0.000 1.142 86 K CA -1.715 54.568 56.287 -0.006 0.000 1.114 86 K CB 0.394 32.898 32.500 0.006 0.000 1.777 86 K HN 0.502 nan 8.250 nan 0.000 0.424 87 P HA -0.066 nan 4.420 nan 0.000 0.264 87 P C -0.322 176.877 177.300 -0.168 0.000 1.193 87 P CA -0.030 63.025 63.100 -0.075 0.000 0.763 87 P CB 0.933 32.587 31.700 -0.077 0.000 0.810 88 A N 4.534 127.204 122.820 -0.251 0.000 2.445 88 A HA 0.389 4.709 4.320 -0.001 0.000 0.242 88 A C 0.364 177.518 177.584 -0.716 0.000 1.075 88 A CA -0.237 51.544 52.037 -0.426 0.000 0.777 88 A CB -0.269 18.541 19.000 -0.316 0.000 1.013 88 A HN 0.559 nan 8.150 nan 0.000 0.493 89 I N 2.320 122.599 120.570 -0.484 0.000 2.465 89 I HA 0.261 4.431 4.170 -0.001 0.000 0.291 89 I C -0.701 175.328 176.117 -0.145 0.000 1.014 89 I CA -0.667 60.419 61.300 -0.357 0.000 1.093 89 I CB 1.759 39.613 38.000 -0.243 0.000 1.267 89 I HN 0.459 nan 8.210 nan 0.000 0.431 90 L N 7.543 128.775 121.223 0.016 0.000 2.296 90 L HA 0.558 4.898 4.340 -0.001 0.000 0.286 90 L C -1.378 175.587 176.870 0.159 0.000 1.023 90 L CA -0.629 54.373 54.840 0.270 0.000 0.812 90 L CB 1.485 43.826 42.059 0.471 0.000 1.223 90 L HN 0.505 nan 8.230 nan 0.000 0.421 91 L N 5.365 126.660 121.223 0.120 0.000 2.319 91 L HA 0.463 4.802 4.340 -0.001 0.000 0.281 91 L C -0.059 176.730 176.870 -0.136 0.000 1.005 91 L CA -0.103 54.751 54.840 0.023 0.000 0.828 91 L CB 1.728 43.784 42.059 -0.005 0.000 1.227 91 L HN 0.728 nan 8.230 nan 0.000 0.415 92 S N 2.668 118.169 115.700 -0.331 0.000 2.485 92 S HA 0.466 4.936 4.470 -0.001 0.000 0.312 92 S C 0.239 174.553 174.600 -0.477 0.000 1.102 92 S CA -0.444 57.245 58.200 -0.852 0.000 1.066 92 S CB 0.488 62.932 63.200 -1.259 0.000 1.102 92 S HN 0.715 nan 8.310 nan 0.000 0.519 93 S N 2.309 117.795 115.700 -0.356 0.000 2.719 93 S HA 0.750 5.219 4.470 -0.001 0.000 0.285 93 S C 0.050 174.605 174.600 -0.074 0.000 1.137 93 S CA -0.560 57.543 58.200 -0.160 0.000 1.012 93 S CB 1.428 64.571 63.200 -0.095 0.000 1.134 93 S HN 0.852 nan 8.310 nan 0.000 0.544 94 S N 0.026 115.733 115.700 0.011 0.000 2.600 94 S HA 0.409 4.878 4.470 -0.001 0.000 0.300 94 S C 1.055 175.736 174.600 0.135 0.000 1.087 94 S CA -0.844 57.444 58.200 0.146 0.000 0.965 94 S CB 0.873 64.214 63.200 0.234 0.000 1.089 94 S HN 0.698 nan 8.310 nan 0.000 0.496 95 I N 1.419 122.101 120.570 0.187 0.000 3.334 95 I HA 0.054 4.223 4.170 -0.001 0.000 0.282 95 I C 1.191 177.386 176.117 0.130 0.000 1.313 95 I CA 1.005 62.394 61.300 0.147 0.000 1.396 95 I CB -1.328 36.765 38.000 0.155 0.000 1.054 95 I HN 0.583 nan 8.210 nan 0.000 0.495 96 Q N 1.637 121.533 119.800 0.159 0.000 2.378 96 Q HA 0.144 4.484 4.340 -0.001 0.000 0.205 96 Q C 2.328 178.374 176.000 0.076 0.000 0.954 96 Q CA 1.210 57.109 55.803 0.161 0.000 0.901 96 Q CB -0.037 28.891 28.738 0.317 0.000 0.981 96 Q HN 0.705 nan 8.270 nan 0.000 0.483 97 A N 0.470 123.309 122.820 0.032 0.000 2.032 97 A HA -0.182 4.137 4.320 -0.001 0.000 0.221 97 A C 2.202 179.797 177.584 0.019 0.000 1.165 97 A CA 1.858 53.894 52.037 -0.002 0.000 0.645 97 A CB -0.507 18.486 19.000 -0.011 0.000 0.807 97 A HN 0.317 nan 8.150 nan 0.000 0.453 98 T N 0.253 114.830 114.554 0.040 0.000 2.698 98 T HA -0.049 4.301 4.350 -0.001 0.000 0.260 98 T C 0.961 175.686 174.700 0.042 0.000 1.044 98 T CA 0.872 62.996 62.100 0.039 0.000 1.149 98 T CB -0.233 68.665 68.868 0.049 0.000 0.864 98 T HN 0.532 nan 8.240 nan 0.000 0.419 99 Q N 2.757 122.591 119.800 0.057 0.000 2.539 99 Q HA 0.030 4.370 4.340 -0.001 0.000 0.268 99 Q C -0.204 175.827 176.000 0.052 0.000 1.109 99 Q CA 0.539 56.377 55.803 0.059 0.000 0.968 99 Q CB 0.067 28.854 28.738 0.081 0.000 1.309 99 Q HN 0.593 nan 8.270 nan 0.000 0.497 100 D N 0.782 121.211 120.400 0.049 0.000 2.483 100 D HA 0.166 4.805 4.640 -0.001 0.000 0.281 100 D C -0.394 175.937 176.300 0.051 0.000 1.174 100 D CA -0.430 53.595 54.000 0.042 0.000 0.938 100 D CB 0.035 40.854 40.800 0.032 0.000 1.002 100 D HN 0.488 nan 8.370 nan 0.000 0.501 101 N N 0.490 119.230 118.700 0.067 0.000 2.284 101 N HA 0.249 4.989 4.740 -0.001 0.000 0.289 101 N C -2.496 173.069 175.510 0.092 0.000 1.179 101 N CA -1.536 51.562 53.050 0.081 0.000 0.774 101 N CB 2.501 41.050 38.487 0.103 0.000 1.548 101 N HN -0.287 nan 8.380 nan 0.000 0.473 102 P HA -0.248 nan 4.420 nan 0.000 0.219 102 P C 1.180 178.547 177.300 0.113 0.000 1.161 102 P CA 1.749 64.904 63.100 0.091 0.000 0.909 102 P CB -0.131 31.627 31.700 0.096 0.000 0.793 103 Y N 0.233 120.558 120.300 0.042 0.000 2.128 103 Y HA -0.181 4.368 4.550 -0.001 0.000 0.284 103 Y C 2.465 178.394 175.900 0.048 0.000 1.154 103 Y CA 2.229 60.358 58.100 0.049 0.000 1.149 103 Y CB -1.140 37.353 38.460 0.054 0.000 0.976 103 Y HN -0.123 nan 8.280 nan 0.000 0.505 104 G N -0.624 108.190 108.800 0.023 0.000 2.421 104 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.216 104 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.216 104 G C 1.517 176.368 174.900 -0.082 0.000 1.171 104 G CA 0.932 45.999 45.100 -0.055 0.000 0.775 104 G HN 0.474 nan 8.290 nan 0.000 0.543 105 E N 0.318 120.502 120.200 -0.027 0.000 2.085 105 E HA -0.109 4.241 4.350 -0.001 0.000 0.194 105 E C 2.927 179.497 176.600 -0.049 0.000 0.994 105 E CA 1.297 57.684 56.400 -0.023 0.000 0.801 105 E CB -0.059 29.643 29.700 0.005 0.000 0.743 105 E HN 0.356 nan 8.360 nan 0.000 0.453 106 S N 0.310 115.968 115.700 -0.070 0.000 2.353 106 S HA -0.156 4.314 4.470 -0.001 0.000 0.222 106 S C 1.709 176.240 174.600 -0.116 0.000 1.035 106 S CA 1.050 59.205 58.200 -0.076 0.000 1.025 106 S CB -0.098 63.060 63.200 -0.071 0.000 0.902 106 S HN 0.153 nan 8.310 nan 0.000 0.440 107 K N 0.952 121.220 120.400 -0.220 0.000 2.147 107 K HA 0.019 4.339 4.320 -0.001 0.000 0.205 107 K C 1.995 178.529 176.600 -0.110 0.000 1.049 107 K CA 0.574 56.739 56.287 -0.202 0.000 0.936 107 K CB -0.743 31.568 32.500 -0.315 0.000 0.722 107 K HN 0.283 nan 8.250 nan 0.000 0.446 108 L N 1.785 122.955 121.223 -0.088 0.000 2.056 108 L HA -0.112 4.227 4.340 -0.001 0.000 0.207 108 L C 2.149 178.995 176.870 -0.040 0.000 1.078 108 L CA 1.682 56.492 54.840 -0.051 0.000 0.749 108 L CB -0.468 41.571 42.059 -0.034 0.000 0.901 108 L HN 0.082 nan 8.230 nan 0.000 0.433 109 Q N -0.296 119.482 119.800 -0.037 0.000 2.226 109 Q HA -0.106 4.234 4.340 -0.001 0.000 0.204 109 Q C 2.060 178.044 176.000 -0.027 0.000 0.975 109 Q CA 1.424 57.212 55.803 -0.025 0.000 0.866 109 Q CB -0.623 28.105 28.738 -0.017 0.000 0.915 109 Q HN 0.670 nan 8.270 nan 0.000 0.440 110 G N 0.824 109.602 108.800 -0.037 0.000 2.403 110 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.216 110 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.216 110 G C 1.292 176.164 174.900 -0.047 0.000 1.154 110 G CA 0.429 45.506 45.100 -0.038 0.000 0.784 110 G HN 0.370 nan 8.290 nan 0.000 0.538 111 E N 0.063 120.235 120.200 -0.045 0.000 2.031 111 E HA -0.187 4.163 4.350 -0.001 0.000 0.193 111 E C 2.416 178.995 176.600 -0.035 0.000 0.994 111 E CA 1.063 57.437 56.400 -0.043 0.000 0.800 111 E CB -0.252 29.424 29.700 -0.039 0.000 0.752 111 E HN 0.522 nan 8.360 nan 0.000 0.447 112 Q N 0.808 120.592 119.800 -0.027 0.000 2.077 112 Q HA -0.239 4.100 4.340 -0.001 0.000 0.206 112 Q C 2.365 178.360 176.000 -0.009 0.000 0.989 112 Q CA 1.488 57.280 55.803 -0.017 0.000 0.853 112 Q CB -0.148 28.581 28.738 -0.015 0.000 0.907 112 Q HN 0.221 nan 8.270 nan 0.000 0.418 113 L N 0.281 121.497 121.223 -0.013 0.000 2.012 113 L HA -0.188 4.152 4.340 -0.001 0.000 0.210 113 L C 2.162 179.039 176.870 0.011 0.000 1.073 113 L CA 1.665 56.505 54.840 -0.001 0.000 0.748 113 L CB -0.729 41.316 42.059 -0.023 0.000 0.891 113 L HN 0.391 nan 8.230 nan 0.000 0.431 114 L N -0.360 120.841 121.223 -0.037 0.000 2.093 114 L HA -0.131 4.209 4.340 -0.001 0.000 0.208 114 L C 2.681 179.559 176.870 0.013 0.000 1.085 114 L CA 1.590 56.398 54.840 -0.053 0.000 0.755 114 L CB -0.631 41.364 42.059 -0.106 0.000 0.904 114 L HN 0.285 nan 8.230 nan 0.000 0.435 115 R N -0.747 119.753 120.500 0.000 0.000 2.075 115 R HA -0.096 4.244 4.340 -0.001 0.000 0.232 115 R C 2.022 178.337 176.300 0.025 0.000 1.126 115 R CA 1.194 57.294 56.100 0.000 0.000 0.963 115 R CB -0.535 29.754 30.300 -0.017 0.000 0.858 115 R HN 0.390 nan 8.270 nan 0.000 0.435 116 E N 0.670 120.891 120.200 0.034 0.000 2.058 116 E HA -0.222 4.128 4.350 -0.001 0.000 0.194 116 E C 1.844 178.486 176.600 0.069 0.000 0.997 116 E CA 1.251 57.669 56.400 0.029 0.000 0.801 116 E CB -0.462 29.255 29.700 0.028 0.000 0.746 116 E HN 0.351 nan 8.360 nan 0.000 0.450 117 Y N 1.344 121.642 120.300 -0.004 0.000 2.207 117 Y HA -0.206 4.344 4.550 -0.001 0.000 0.287 117 Y C 2.234 178.180 175.900 0.077 0.000 1.156 117 Y CA 1.531 59.675 58.100 0.072 0.000 1.182 117 Y CB -0.380 38.114 38.460 0.058 0.000 0.979 117 Y HN 0.017 nan 8.280 nan 0.000 0.521 118 A N 0.006 122.990 122.820 0.273 0.000 1.898 118 A HA -0.210 4.110 4.320 -0.001 0.000 0.216 118 A C 2.219 179.813 177.584 0.017 0.000 1.181 118 A CA 1.678 53.805 52.037 0.150 0.000 0.620 118 A CB -0.874 18.160 19.000 0.056 0.000 0.819 118 A HN 0.609 nan 8.150 nan 0.000 0.442 119 E N -0.848 119.337 120.200 -0.025 0.000 2.204 119 E HA -0.209 4.141 4.350 -0.001 0.000 0.195 119 E C 1.913 178.426 176.600 -0.145 0.000 0.990 119 E CA 1.093 57.449 56.400 -0.074 0.000 0.821 119 E CB 0.028 29.688 29.700 -0.067 0.000 0.750 119 E HN 0.543 nan 8.360 nan 0.000 0.477 120 E N -0.379 119.678 120.200 -0.238 0.000 2.057 120 E HA -0.083 4.266 4.350 -0.001 0.000 0.190 120 E C 1.223 177.481 176.600 -0.569 0.000 0.969 120 E CA 0.916 57.034 56.400 -0.470 0.000 0.812 120 E CB -0.067 29.197 29.700 -0.727 0.000 0.777 120 E HN 0.367 nan 8.360 nan 0.000 0.455 121 Y N -0.609 119.545 120.300 -0.243 0.000 2.466 121 Y HA 0.252 4.802 4.550 -0.001 0.000 0.272 121 Y C 1.587 177.418 175.900 -0.115 0.000 1.169 121 Y CA 0.583 58.551 58.100 -0.221 0.000 1.285 121 Y CB 0.484 38.716 38.460 -0.379 0.000 1.078 121 Y HN 0.218 nan 8.280 nan 0.000 0.523 122 G N 0.337 109.143 108.800 0.009 0.000 2.184 122 G HA2 -0.350 3.610 3.960 -0.001 0.000 0.264 122 G HA3 -0.350 3.610 3.960 -0.001 0.000 0.264 122 G C -0.043 174.863 174.900 0.010 0.000 0.975 122 G CA 0.171 45.272 45.100 0.001 0.000 0.642 122 G HN 0.419 nan 8.290 nan 0.000 0.536 123 N N 1.645 120.375 118.700 0.049 0.000 2.458 123 N HA 0.436 5.176 4.740 -0.001 0.000 0.258 123 N C 0.658 176.126 175.510 -0.071 0.000 1.219 123 N CA 0.945 53.996 53.050 0.001 0.000 0.902 123 N CB 0.648 39.155 38.487 0.034 0.000 1.076 123 N HN 0.448 nan 8.380 nan 0.000 0.455 124 T N -1.393 113.081 114.554 -0.133 0.000 2.851 124 T HA 0.429 4.779 4.350 -0.001 0.000 0.298 124 T C 0.289 174.764 174.700 -0.375 0.000 0.977 124 T CA -0.933 61.021 62.100 -0.243 0.000 1.126 124 T CB 0.249 68.967 68.868 -0.250 0.000 0.916 124 T HN 0.301 nan 8.240 nan 0.000 0.529 125 V N 0.798 120.461 119.914 -0.418 0.000 2.680 125 V HA 0.665 4.785 4.120 -0.001 0.000 0.309 125 V C -1.531 174.274 176.094 -0.481 0.000 1.052 125 V CA -1.511 60.561 62.300 -0.379 0.000 0.908 125 V CB 1.194 32.906 31.823 -0.184 0.000 1.001 125 V HN 0.882 nan 8.190 nan 0.000 0.431 126 Y N 4.173 124.473 120.300 -0.001 0.000 2.464 126 Y HA 0.660 5.210 4.550 -0.001 0.000 0.326 126 Y C 0.061 175.975 175.900 0.024 0.000 0.969 126 Y CA -0.632 57.482 58.100 0.023 0.000 1.270 126 Y CB 1.596 40.189 38.460 0.221 0.000 1.103 126 Y HN 0.551 nan 8.280 nan 0.000 0.491 127 I N 4.600 125.177 120.570 0.011 0.000 2.330 127 I HA 0.271 4.441 4.170 -0.001 0.000 0.289 127 I C -0.951 175.111 176.117 -0.091 0.000 1.001 127 I CA -0.724 60.573 61.300 -0.006 0.000 1.193 127 I CB 0.677 38.651 38.000 -0.043 0.000 1.345 127 I HN 0.471 nan 8.210 nan 0.000 0.461 128 Y N 4.953 125.209 120.300 -0.074 0.000 2.446 128 Y HA 0.509 5.059 4.550 -0.001 0.000 0.338 128 Y C 0.277 176.092 175.900 -0.142 0.000 1.055 128 Y CA -0.917 57.151 58.100 -0.054 0.000 1.101 128 Y CB 1.506 39.963 38.460 -0.004 0.000 1.221 128 Y HN 0.348 nan 8.280 nan 0.000 0.460 129 R N 2.396 123.010 120.500 0.190 0.000 2.423 129 R HA 0.188 4.528 4.340 -0.001 0.000 0.293 129 R C -1.428 175.076 176.300 0.339 0.000 1.196 129 R CA -0.585 55.609 56.100 0.157 0.000 1.262 129 R CB 0.402 30.775 30.300 0.120 0.000 1.116 129 R HN 0.534 nan 8.270 nan 0.000 0.566 130 W N 3.921 125.319 121.300 0.163 0.000 2.202 130 W HA 0.219 4.879 4.660 -0.001 0.000 0.332 130 W C -1.798 174.810 176.519 0.148 0.000 1.263 130 W CA -2.287 55.143 57.345 0.142 0.000 1.223 130 W CB -0.256 29.275 29.460 0.118 0.000 1.128 130 W HN 0.305 nan 8.180 nan 0.000 0.573 131 P HA 0.147 nan 4.420 nan 0.000 0.325 131 P C -0.205 177.257 177.300 0.270 0.000 1.298 131 P CA -0.544 62.715 63.100 0.265 0.000 0.771 131 P CB 1.052 32.875 31.700 0.205 0.000 1.389 132 N N -0.542 118.295 118.700 0.228 0.000 2.479 132 N HA 0.158 4.897 4.740 -0.001 0.000 0.257 132 N C -0.226 175.452 175.510 0.279 0.000 1.232 132 N CA 0.202 53.387 53.050 0.226 0.000 0.920 132 N CB -0.193 38.398 38.487 0.174 0.000 1.105 132 N HN 0.237 nan 8.380 nan 0.000 0.444 133 L N 1.739 123.135 121.223 0.288 0.000 2.313 133 L HA 0.645 4.984 4.340 -0.001 0.000 0.268 133 L C -0.237 176.887 176.870 0.424 0.000 1.010 133 L CA -0.721 54.319 54.840 0.333 0.000 0.814 133 L CB 0.729 42.976 42.059 0.314 0.000 1.304 133 L HN 0.516 nan 8.230 nan 0.000 0.441 134 F N -1.185 118.947 119.950 0.303 0.000 2.654 134 F HA 0.907 5.433 4.527 -0.001 0.000 0.308 134 F C -0.236 175.794 175.800 0.384 0.000 1.108 134 F CA -0.486 57.639 58.000 0.208 0.000 0.957 134 F CB 1.772 40.908 39.000 0.227 0.000 1.309 134 F HN 0.701 nan 8.300 nan 0.000 0.446 135 G N 2.131 111.071 108.800 0.233 0.000 2.315 135 G HA2 0.215 4.175 3.960 -0.001 0.000 0.294 135 G HA3 0.215 4.175 3.960 -0.001 0.000 0.294 135 G C -0.526 174.478 174.900 0.174 0.000 1.300 135 G CA -0.397 44.826 45.100 0.206 0.000 0.843 135 G HN 1.031 nan 8.290 nan 0.000 0.527 136 K N -1.215 119.170 120.400 -0.025 0.000 1.991 136 K HA -0.082 4.238 4.320 -0.001 0.000 0.212 136 K C 1.145 177.675 176.600 -0.116 0.000 1.049 136 K CA 1.909 58.047 56.287 -0.248 0.000 0.932 136 K CB -0.059 32.094 32.500 -0.579 0.000 0.717 136 K HN 0.370 nan 8.250 nan 0.000 0.441 137 W N 1.899 123.284 121.300 0.141 0.000 3.466 137 W HA 0.228 4.887 4.660 -0.001 0.000 0.323 137 W C 0.208 176.798 176.519 0.119 0.000 1.264 137 W CA -1.834 55.569 57.345 0.097 0.000 1.750 137 W CB -1.419 28.099 29.460 0.097 0.000 1.040 137 W HN 0.120 nan 8.180 nan 0.000 0.742 138 C N 2.692 122.018 119.300 0.045 0.000 2.644 138 C HA 0.193 4.652 4.460 -0.001 0.000 0.417 138 C C 0.997 176.015 174.990 0.046 0.000 1.304 138 C CA -0.093 58.749 59.018 -0.293 0.000 2.035 138 C CB -0.043 27.214 27.740 -0.805 0.000 2.673 138 C HN 0.131 nan 8.230 nan 0.000 0.602 139 K N 6.570 126.937 120.400 -0.055 0.000 2.205 139 K HA 0.369 4.689 4.320 -0.001 0.000 0.279 139 K C -2.155 174.410 176.600 -0.058 0.000 1.027 139 K CA -0.873 55.400 56.287 -0.024 0.000 0.932 139 K CB 1.040 33.478 32.500 -0.103 0.000 1.032 139 K HN 0.617 nan 8.250 nan 0.000 0.466 140 P HA 0.052 nan 4.420 nan 0.000 0.276 140 P C -0.722 176.483 177.300 -0.159 0.000 1.252 140 P CA -0.320 62.649 63.100 -0.217 0.000 0.802 140 P CB 0.433 31.872 31.700 -0.435 0.000 1.035 141 N N -0.844 117.770 118.700 -0.143 0.000 2.725 141 N HA -0.248 4.492 4.740 -0.001 0.000 0.251 141 N C -0.329 175.169 175.510 -0.020 0.000 1.031 141 N CA 0.999 53.994 53.050 -0.092 0.000 0.720 141 N CB -1.513 36.899 38.487 -0.125 0.000 0.930 141 N HN 0.606 nan 8.380 nan 0.000 0.543 142 Y N 0.706 120.928 120.300 -0.130 0.000 2.627 142 Y HA 0.198 4.748 4.550 -0.001 0.000 0.103 142 Y C 1.450 177.293 175.900 -0.095 0.000 0.930 142 Y CA 0.986 59.028 58.100 -0.097 0.000 1.840 142 Y CB -0.315 38.093 38.460 -0.086 0.000 1.162 142 Y HN 0.076 nan 8.280 nan 0.000 0.218 143 N N -0.622 118.298 118.700 0.366 0.000 2.516 143 N HA 0.161 4.900 4.740 -0.001 0.000 0.197 143 N C -0.044 175.467 175.510 0.003 0.000 1.064 143 N CA 0.506 53.651 53.050 0.159 0.000 0.866 143 N CB -0.131 38.482 38.487 0.209 0.000 1.255 143 N HN 0.092 nan 8.380 nan 0.000 0.447 144 S N 0.356 116.031 115.700 -0.041 0.000 2.455 144 S HA 0.188 4.658 4.470 -0.001 0.000 0.278 144 S C 0.956 175.437 174.600 -0.197 0.000 1.216 144 S CA -0.582 57.553 58.200 -0.109 0.000 1.055 144 S CB 0.667 63.780 63.200 -0.144 0.000 0.939 144 S HN 0.182 nan 8.310 nan 0.000 0.494 145 V N 7.088 126.849 119.914 -0.254 0.000 2.667 145 V HA -0.027 4.093 4.120 -0.001 0.000 0.252 145 V C 1.674 177.382 176.094 -0.643 0.000 1.065 145 V CA 1.630 63.615 62.300 -0.526 0.000 1.083 145 V CB -0.459 31.051 31.823 -0.521 0.000 0.692 145 V HN 0.959 nan 8.190 nan 0.000 0.468 146 I N 0.241 120.638 120.570 -0.288 0.000 2.233 146 I HA -0.118 4.052 4.170 -0.001 0.000 0.243 146 I C 2.711 178.731 176.117 -0.162 0.000 1.093 146 I CA 1.342 62.569 61.300 -0.122 0.000 1.380 146 I CB -0.646 37.365 38.000 0.018 0.000 1.067 146 I HN 0.360 nan 8.210 nan 0.000 0.413 147 A N 0.405 123.078 122.820 -0.247 0.000 1.908 147 A HA -0.214 4.106 4.320 -0.001 0.000 0.218 147 A C 2.371 179.663 177.584 -0.486 0.000 1.181 147 A CA 2.493 54.207 52.037 -0.538 0.000 0.627 147 A CB -1.092 17.692 19.000 -0.359 0.000 0.818 147 A HN 0.368 nan 8.150 nan 0.000 0.445 148 T N -0.379 113.996 114.554 -0.298 0.000 2.708 148 T HA -0.102 4.248 4.350 -0.001 0.000 0.266 148 T C 1.550 176.272 174.700 0.036 0.000 1.037 148 T CA 1.559 63.560 62.100 -0.166 0.000 1.146 148 T CB -0.403 68.336 68.868 -0.216 0.000 0.865 148 T HN 0.380 nan 8.240 nan 0.000 0.435 149 F N 1.217 121.118 119.950 -0.082 0.000 2.134 149 F HA -0.066 4.461 4.527 -0.001 0.000 0.299 149 F C 2.813 178.581 175.800 -0.054 0.000 1.097 149 F CA -0.526 57.433 58.000 -0.068 0.000 1.264 149 F CB -1.556 37.392 39.000 -0.088 0.000 1.001 149 F HN 0.248 nan 8.300 nan 0.000 0.479 150 C N -1.060 118.312 119.300 0.120 0.000 2.436 150 C HA -0.230 4.230 4.460 -0.001 0.000 0.277 150 C C 2.666 177.700 174.990 0.074 0.000 1.241 150 C CA 0.740 59.844 59.018 0.143 0.000 1.721 150 C CB -1.439 26.318 27.740 0.029 0.000 2.043 150 C HN 0.529 nan 8.230 nan 0.000 0.472 151 Y N 2.012 122.206 120.300 -0.178 0.000 2.114 151 Y HA -0.244 4.306 4.550 -0.001 0.000 0.282 151 Y C 2.445 178.364 175.900 0.031 0.000 1.165 151 Y CA 1.961 60.031 58.100 -0.048 0.000 1.148 151 Y CB -0.357 38.047 38.460 -0.094 0.000 0.972 151 Y HN 0.281 nan 8.280 nan 0.000 0.504 152 K N 0.042 120.561 120.400 0.198 0.000 1.984 152 K HA -0.148 4.171 4.320 -0.001 0.000 0.209 152 K C 2.111 178.746 176.600 0.059 0.000 1.046 152 K CA 1.958 58.326 56.287 0.135 0.000 0.934 152 K CB -0.392 32.232 32.500 0.206 0.000 0.717 152 K HN 0.347 nan 8.250 nan 0.000 0.438 153 I N 1.280 121.889 120.570 0.064 0.000 2.194 153 I HA -0.288 3.881 4.170 -0.001 0.000 0.246 153 I C 2.267 178.460 176.117 0.128 0.000 1.093 153 I CA 1.174 62.499 61.300 0.041 0.000 1.355 153 I CB -0.351 37.551 38.000 -0.164 0.000 1.046 153 I HN 0.176 nan 8.210 nan 0.000 0.413 154 A N 0.286 123.195 122.820 0.147 0.000 2.248 154 A HA -0.066 4.253 4.320 -0.001 0.000 0.210 154 A C 1.941 179.532 177.584 0.011 0.000 1.174 154 A CA 0.981 53.087 52.037 0.114 0.000 0.750 154 A CB -0.433 18.517 19.000 -0.083 0.000 0.780 154 A HN 0.415 nan 8.150 nan 0.000 0.478 155 R N -0.817 119.667 120.500 -0.027 0.000 2.596 155 R HA 0.155 4.494 4.340 -0.001 0.000 0.369 155 R C -0.147 176.161 176.300 0.013 0.000 1.042 155 R CA -0.187 55.883 56.100 -0.049 0.000 1.120 155 R CB 0.193 30.398 30.300 -0.158 0.000 1.353 155 R HN 0.396 nan 8.270 nan 0.000 0.564 156 N N 1.614 120.349 118.700 0.058 0.000 2.681 156 N HA -0.214 4.525 4.740 -0.001 0.000 0.250 156 N C -0.845 174.709 175.510 0.074 0.000 1.133 156 N CA 1.292 54.390 53.050 0.080 0.000 0.732 156 N CB -0.663 37.860 38.487 0.060 0.000 1.107 156 N HN 0.527 nan 8.380 nan 0.000 0.559 157 E N 0.864 121.107 120.200 0.071 0.000 2.313 157 E HA 0.133 4.482 4.350 -0.001 0.000 0.276 157 E C 0.238 176.899 176.600 0.102 0.000 1.031 157 E CA -0.489 55.959 56.400 0.079 0.000 0.857 157 E CB 0.825 30.578 29.700 0.087 0.000 1.040 157 E HN 0.036 nan 8.360 nan 0.000 0.408 158 E N 2.235 122.489 120.200 0.090 0.000 2.390 158 E HA 0.161 4.511 4.350 -0.001 0.000 0.261 158 E C 0.204 176.868 176.600 0.106 0.000 1.076 158 E CA 0.031 56.487 56.400 0.093 0.000 0.905 158 E CB 0.652 30.388 29.700 0.059 0.000 0.984 158 E HN 0.433 nan 8.360 nan 0.000 0.427 159 I N -1.904 118.726 120.570 0.100 0.000 2.910 159 I HA 0.418 4.587 4.170 -0.001 0.000 0.310 159 I C -0.341 175.827 176.117 0.086 0.000 1.043 159 I CA -1.069 60.295 61.300 0.107 0.000 1.053 159 I CB 1.931 39.920 38.000 -0.018 0.000 1.242 159 I HN 0.214 nan 8.210 nan 0.000 0.452 160 Q N 3.240 123.133 119.800 0.156 0.000 2.327 160 Q HA 0.560 4.900 4.340 -0.001 0.000 0.270 160 Q C -2.054 174.048 176.000 0.169 0.000 1.022 160 Q CA -0.676 55.201 55.803 0.123 0.000 0.773 160 Q CB 2.161 30.965 28.738 0.110 0.000 1.251 160 Q HN 0.726 nan 8.270 nan 0.000 0.457 161 V N 5.285 125.253 119.914 0.091 0.000 2.325 161 V HA 0.144 4.264 4.120 -0.001 0.000 0.280 161 V C 0.278 176.413 176.094 0.068 0.000 1.016 161 V CA -0.584 61.780 62.300 0.107 0.000 0.818 161 V CB 1.159 32.994 31.823 0.020 0.000 1.019 161 V HN 0.818 nan 8.190 nan 0.000 0.434 162 N N 2.430 121.176 118.700 0.076 0.000 2.084 162 N HA -0.077 4.662 4.740 -0.001 0.000 0.190 162 N C 0.378 175.909 175.510 0.035 0.000 1.030 162 N CA 1.335 54.413 53.050 0.047 0.000 0.849 162 N CB 0.126 38.639 38.487 0.043 0.000 1.012 162 N HN 0.788 nan 8.380 nan 0.000 0.423 163 D N -1.445 118.980 120.400 0.042 0.000 2.736 163 D HA 0.274 4.914 4.640 -0.001 0.000 0.243 163 D C -0.127 176.193 176.300 0.032 0.000 1.304 163 D CA -0.398 53.619 54.000 0.029 0.000 0.934 163 D CB 0.933 41.747 40.800 0.024 0.000 1.382 163 D HN -0.103 nan 8.370 nan 0.000 0.571 164 R N 2.260 122.771 120.500 0.018 0.000 2.280 164 R HA 0.051 4.390 4.340 -0.001 0.000 0.207 164 R C 0.669 176.973 176.300 0.008 0.000 1.043 164 R CA 0.698 56.806 56.100 0.013 0.000 1.006 164 R CB -0.011 30.286 30.300 -0.005 0.000 0.885 164 R HN 0.393 nan 8.270 nan 0.000 0.467 165 N N -0.055 118.649 118.700 0.007 0.000 2.467 165 N HA 0.002 4.741 4.740 -0.001 0.000 0.184 165 N C -0.280 175.233 175.510 0.006 0.000 1.106 165 N CA 0.076 53.127 53.050 0.002 0.000 0.892 165 N CB 0.430 38.918 38.487 0.001 0.000 0.969 165 N HN -0.123 nan 8.380 nan 0.000 0.454 166 V N 1.934 121.856 119.914 0.015 0.000 2.509 166 V HA -0.077 4.043 4.120 -0.001 0.000 0.297 166 V C 0.762 176.862 176.094 0.009 0.000 1.014 166 V CA 0.409 62.719 62.300 0.017 0.000 1.127 166 V CB 0.280 32.119 31.823 0.028 0.000 0.925 166 V HN 0.262 nan 8.190 nan 0.000 0.480 167 E N 3.226 123.430 120.200 0.006 0.000 2.313 167 E HA 0.499 4.848 4.350 -0.001 0.000 0.272 167 E C -1.116 175.486 176.600 0.004 0.000 1.038 167 E CA -0.770 55.628 56.400 -0.004 0.000 0.863 167 E CB 1.746 31.446 29.700 -0.001 0.000 1.060 167 E HN 0.372 nan 8.360 nan 0.000 0.402 168 L N 1.787 123.005 121.223 -0.009 0.000 2.386 168 L HA 0.306 4.645 4.340 -0.001 0.000 0.271 168 L C -0.554 176.332 176.870 0.026 0.000 0.993 168 L CA -0.297 54.550 54.840 0.013 0.000 0.819 168 L CB 2.301 44.361 42.059 0.002 0.000 1.294 168 L HN 0.383 nan 8.230 nan 0.000 0.414 169 T N 4.744 119.343 114.554 0.074 0.000 2.758 169 T HA 0.734 5.084 4.350 -0.001 0.000 0.285 169 T C -0.655 174.148 174.700 0.172 0.000 0.981 169 T CA -0.431 61.731 62.100 0.104 0.000 0.965 169 T CB 0.737 69.665 68.868 0.099 0.000 0.927 169 T HN 0.138 nan 8.240 nan 0.000 0.448 170 L N 3.019 124.391 121.223 0.249 0.000 2.327 170 L HA 0.664 5.004 4.340 -0.001 0.000 0.258 170 L C -0.187 176.944 176.870 0.434 0.000 1.024 170 L CA -0.952 54.135 54.840 0.411 0.000 0.825 170 L CB 2.060 44.490 42.059 0.619 0.000 1.386 170 L HN 0.530 nan 8.230 nan 0.000 0.417 171 N N -0.009 118.947 118.700 0.427 0.000 2.235 171 N HA 0.273 5.013 4.740 -0.001 0.000 0.293 171 N C -1.558 174.079 175.510 0.211 0.000 1.083 171 N CA -0.388 52.794 53.050 0.221 0.000 0.801 171 N CB 2.818 41.275 38.487 -0.050 0.000 1.559 171 N HN 0.447 nan 8.380 nan 0.000 0.472 172 Y N 1.851 122.134 120.300 -0.028 0.000 2.304 172 Y HA 0.135 4.685 4.550 -0.001 0.000 0.328 172 Y C 1.433 177.102 175.900 -0.385 0.000 1.123 172 Y CA -0.144 57.658 58.100 -0.496 0.000 1.218 172 Y CB 0.974 39.315 38.460 -0.198 0.000 1.207 172 Y HN 0.348 nan 8.280 nan 0.000 0.495 173 V N 4.860 124.303 119.914 -0.786 0.000 2.453 173 V HA -0.306 3.814 4.120 -0.001 0.000 0.252 173 V C 1.276 176.904 176.094 -0.776 0.000 1.068 173 V CA 2.881 64.718 62.300 -0.771 0.000 1.070 173 V CB -0.358 30.995 31.823 -0.783 0.000 0.664 173 V HN 0.942 nan 8.190 nan 0.000 0.461 174 D N -0.139 119.660 120.400 -1.003 0.000 2.144 174 D HA -0.147 4.493 4.640 -0.001 0.000 0.199 174 D C 1.950 178.065 176.300 -0.308 0.000 0.984 174 D CA 1.601 55.265 54.000 -0.560 0.000 0.834 174 D CB -0.204 40.385 40.800 -0.352 0.000 0.955 174 D HN 0.556 nan 8.370 nan 0.000 0.465 175 D N 0.080 120.343 120.400 -0.229 0.000 2.097 175 D HA -0.100 4.540 4.640 -0.001 0.000 0.197 175 D C 2.226 178.362 176.300 -0.274 0.000 0.984 175 D CA 0.403 54.304 54.000 -0.166 0.000 0.826 175 D CB -0.028 40.713 40.800 -0.098 0.000 0.973 175 D HN 0.157 nan 8.370 nan 0.000 0.460 176 I N 1.291 121.608 120.570 -0.421 0.000 2.118 176 I HA -0.223 3.947 4.170 -0.001 0.000 0.241 176 I C 2.617 178.491 176.117 -0.405 0.000 1.070 176 I CA 0.898 61.850 61.300 -0.580 0.000 1.327 176 I CB -1.103 36.387 38.000 -0.850 0.000 1.034 176 I HN -0.087 nan 8.210 nan 0.000 0.405 177 V N 1.160 120.852 119.914 -0.370 0.000 2.427 177 V HA -0.210 3.910 4.120 -0.001 0.000 0.248 177 V C 2.750 178.727 176.094 -0.194 0.000 1.051 177 V CA 1.626 63.765 62.300 -0.268 0.000 1.048 177 V CB -1.018 30.635 31.823 -0.284 0.000 0.666 177 V HN 0.470 nan 8.190 nan 0.000 0.456 178 A N -0.159 122.551 122.820 -0.185 0.000 1.969 178 A HA -0.193 4.127 4.320 -0.001 0.000 0.218 178 A C 2.192 179.712 177.584 -0.107 0.000 1.169 178 A CA 1.790 53.752 52.037 -0.125 0.000 0.635 178 A CB -0.376 18.565 19.000 -0.100 0.000 0.810 178 A HN 0.517 nan 8.150 nan 0.000 0.445 179 E N 0.399 120.522 120.200 -0.128 0.000 2.072 179 E HA -0.071 4.278 4.350 -0.001 0.000 0.190 179 E C 1.682 178.217 176.600 -0.108 0.000 0.982 179 E CA 1.136 57.480 56.400 -0.094 0.000 0.803 179 E CB -0.389 29.236 29.700 -0.125 0.000 0.755 179 E HN 0.617 nan 8.360 nan 0.000 0.453 180 I N 0.418 120.902 120.570 -0.143 0.000 2.226 180 I HA -0.276 3.893 4.170 -0.001 0.000 0.245 180 I C 2.189 178.226 176.117 -0.134 0.000 1.100 180 I CA 1.254 62.492 61.300 -0.104 0.000 1.374 180 I CB -0.183 37.781 38.000 -0.059 0.000 1.057 180 I HN 0.065 nan 8.210 nan 0.000 0.413 181 K N 0.314 120.639 120.400 -0.125 0.000 2.147 181 K HA -0.128 4.192 4.320 -0.001 0.000 0.205 181 K C 2.223 178.756 176.600 -0.113 0.000 1.049 181 K CA 1.051 57.266 56.287 -0.120 0.000 0.936 181 K CB -0.088 32.359 32.500 -0.088 0.000 0.722 181 K HN 0.291 nan 8.250 nan 0.000 0.446 182 R N 0.117 120.562 120.500 -0.092 0.000 2.090 182 R HA -0.005 4.335 4.340 -0.001 0.000 0.228 182 R C 2.347 178.578 176.300 -0.114 0.000 1.110 182 R CA 1.028 57.086 56.100 -0.070 0.000 0.973 182 R CB -0.183 30.098 30.300 -0.032 0.000 0.869 182 R HN 0.151 nan 8.270 nan 0.000 0.440 183 A N 1.451 124.172 122.820 -0.165 0.000 1.873 183 A HA -0.108 4.212 4.320 -0.001 0.000 0.215 183 A C 2.092 179.507 177.584 -0.281 0.000 1.186 183 A CA 0.984 52.800 52.037 -0.368 0.000 0.616 183 A CB -0.487 18.328 19.000 -0.309 0.000 0.823 183 A HN 0.170 nan 8.150 nan 0.000 0.442 184 I N 0.509 120.848 120.570 -0.385 0.000 2.479 184 I HA -0.264 3.905 4.170 -0.001 0.000 0.258 184 I C 1.510 177.490 176.117 -0.229 0.000 1.165 184 I CA 1.863 62.748 61.300 -0.692 0.000 1.422 184 I CB -0.230 37.370 38.000 -0.666 0.000 1.087 184 I HN 0.636 nan 8.210 nan 0.000 0.441 185 E N 0.330 120.472 120.200 -0.097 0.000 2.736 185 E HA 0.282 4.632 4.350 -0.001 0.000 0.208 185 E C 0.977 177.606 176.600 0.048 0.000 0.996 185 E CA 0.242 56.646 56.400 0.008 0.000 1.104 185 E CB 0.314 30.021 29.700 0.013 0.000 1.111 185 E HN 0.275 nan 8.360 nan 0.000 0.455 186 G N 2.033 110.881 108.800 0.079 0.000 2.258 186 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.274 186 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.274 186 G C 0.481 175.433 174.900 0.087 0.000 1.021 186 G CA 1.052 46.240 45.100 0.148 0.000 0.798 186 G HN 0.580 nan 8.290 nan 0.000 0.507 187 T N -1.566 112.995 114.554 0.012 0.000 3.630 187 T HA 0.593 4.943 4.350 -0.001 0.000 0.238 187 T C -1.837 172.867 174.700 0.006 0.000 1.195 187 T CA -0.894 61.221 62.100 0.025 0.000 1.433 187 T CB 2.463 71.345 68.868 0.023 0.000 0.940 187 T HN 0.283 nan 8.240 nan 0.000 0.641 188 P HA 0.218 nan 4.420 nan 0.000 0.272 188 P C -0.321 177.022 177.300 0.071 0.000 1.230 188 P CA 0.011 63.128 63.100 0.029 0.000 0.788 188 P CB 0.654 32.349 31.700 -0.009 0.000 0.949 189 T N 3.029 117.650 114.554 0.112 0.000 2.727 189 T HA 0.302 4.652 4.350 -0.001 0.000 0.295 189 T C 0.459 175.206 174.700 0.078 0.000 0.915 189 T CA 0.197 62.353 62.100 0.093 0.000 1.066 189 T CB -0.487 68.445 68.868 0.108 0.000 0.891 189 T HN 0.174 nan 8.240 nan 0.000 0.516 190 I N 3.332 123.933 120.570 0.052 0.000 2.392 190 I HA 0.394 4.564 4.170 -0.001 0.000 0.295 190 I C 0.349 176.486 176.117 0.034 0.000 0.985 190 I CA -0.311 61.010 61.300 0.034 0.000 1.221 190 I CB 1.441 39.459 38.000 0.030 0.000 1.366 190 I HN 0.576 nan 8.210 nan 0.000 0.467 191 E N 5.088 125.305 120.200 0.029 0.000 2.307 191 E HA 0.324 4.674 4.350 -0.001 0.000 0.280 191 E C -0.943 175.671 176.600 0.024 0.000 0.900 191 E CA -0.449 55.969 56.400 0.030 0.000 0.790 191 E CB 0.651 30.374 29.700 0.039 0.000 1.261 191 E HN 0.620 nan 8.360 nan 0.000 0.405 192 N N 2.801 121.513 118.700 0.020 0.000 2.776 192 N HA -0.205 4.534 4.740 -0.001 0.000 0.249 192 N C 0.561 176.077 175.510 0.010 0.000 1.111 192 N CA 1.460 54.520 53.050 0.016 0.000 0.711 192 N CB -1.364 37.135 38.487 0.020 0.000 1.065 192 N HN 0.922 nan 8.380 nan 0.000 0.556 193 G N -2.584 106.221 108.800 0.009 0.000 2.189 193 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.267 193 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.267 193 G C 0.165 175.061 174.900 -0.008 0.000 0.975 193 G CA 1.100 46.202 45.100 0.003 0.000 0.644 193 G HN 1.457 nan 8.290 nan 0.000 0.537 194 V N -3.502 116.404 119.914 -0.013 0.000 2.960 194 V HA 0.910 5.029 4.120 -0.001 0.000 0.315 194 V C -2.643 173.404 176.094 -0.078 0.000 1.087 194 V CA -3.081 59.192 62.300 -0.045 0.000 0.982 194 V CB 2.266 34.066 31.823 -0.038 0.000 1.039 194 V HN -0.009 nan 8.190 nan 0.000 0.437 195 P HA 0.414 nan 4.420 nan 0.000 0.276 195 P C -0.567 176.562 177.300 -0.286 0.000 1.235 195 P CA 0.364 63.237 63.100 -0.379 0.000 0.772 195 P CB 0.826 31.991 31.700 -0.892 0.000 0.871 196 T N 1.546 116.158 114.554 0.097 0.000 3.172 196 T HA 0.289 4.639 4.350 -0.001 0.000 0.320 196 T C -0.754 174.167 174.700 0.368 0.000 1.085 196 T CA -0.619 61.675 62.100 0.324 0.000 1.052 196 T CB 0.430 69.397 68.868 0.166 0.000 1.107 196 T HN -0.039 nan 8.240 nan 0.000 0.458 197 V N 6.916 127.071 119.914 0.401 0.000 2.599 197 V HA 0.271 4.391 4.120 -0.001 0.000 0.300 197 V C -1.677 174.455 176.094 0.062 0.000 1.034 197 V CA -0.839 61.549 62.300 0.148 0.000 1.115 197 V CB 0.172 31.973 31.823 -0.036 0.000 0.934 197 V HN 0.790 nan 8.190 nan 0.000 0.485 198 P HA 0.254 nan 4.420 nan 0.000 0.277 198 P C -0.014 177.222 177.300 -0.106 0.000 1.276 198 P CA -0.502 62.584 63.100 -0.023 0.000 0.788 198 P CB 0.216 31.911 31.700 -0.009 0.000 1.114 199 N N -2.779 115.831 118.700 -0.149 0.000 2.725 199 N HA -0.140 4.599 4.740 -0.001 0.000 0.251 199 N C -0.279 174.817 175.510 -0.690 0.000 1.031 199 N CA 0.415 53.260 53.050 -0.342 0.000 0.720 199 N CB -2.000 36.332 38.487 -0.258 0.000 0.930 199 N HN 0.297 nan 8.380 nan 0.000 0.543 200 V N 0.398 120.073 119.914 -0.399 0.000 2.637 200 V HA 0.404 4.524 4.120 -0.001 0.000 0.296 200 V C 0.207 176.068 176.094 -0.387 0.000 1.046 200 V CA -0.183 61.922 62.300 -0.326 0.000 1.066 200 V CB 0.112 31.887 31.823 -0.080 0.000 0.968 200 V HN 0.128 nan 8.190 nan 0.000 0.483 201 F N 5.623 125.641 119.950 0.114 0.000 2.470 201 F HA 0.666 5.192 4.527 -0.001 0.000 0.329 201 F C 0.446 176.211 175.800 -0.058 0.000 1.072 201 F CA -0.824 57.187 58.000 0.018 0.000 0.989 201 F CB 1.708 40.705 39.000 -0.006 0.000 1.193 201 F HN 0.279 nan 8.300 nan 0.000 0.481 202 K N 2.487 122.931 120.400 0.072 0.000 2.535 202 K HA 0.674 4.993 4.320 -0.001 0.000 0.253 202 K C -1.519 175.008 176.600 -0.123 0.000 0.953 202 K CA -0.457 55.823 56.287 -0.012 0.000 0.863 202 K CB 2.369 34.874 32.500 0.007 0.000 1.111 202 K HN 0.417 nan 8.250 nan 0.000 0.431 203 V N 1.212 121.005 119.914 -0.202 0.000 3.007 203 V HA 0.330 4.449 4.120 -0.001 0.000 0.311 203 V C 0.038 176.032 176.094 -0.166 0.000 1.120 203 V CA -0.847 61.275 62.300 -0.297 0.000 0.980 203 V CB 2.357 33.752 31.823 -0.713 0.000 1.033 203 V HN 0.662 nan 8.190 nan 0.000 0.429 204 T N 2.039 116.519 114.554 -0.124 0.000 2.909 204 T HA 0.301 4.651 4.350 -0.001 0.000 0.289 204 T C 0.894 175.571 174.700 -0.038 0.000 1.005 204 T CA -0.123 61.941 62.100 -0.061 0.000 1.084 204 T CB 1.073 69.914 68.868 -0.045 0.000 0.975 204 T HN 0.536 nan 8.240 nan 0.000 0.509 205 L N 3.690 124.916 121.223 0.005 0.000 2.079 205 L HA 0.077 4.417 4.340 -0.001 0.000 0.210 205 L C 2.455 179.343 176.870 0.031 0.000 1.081 205 L CA 2.043 56.919 54.840 0.061 0.000 0.752 205 L CB -0.933 41.187 42.059 0.103 0.000 0.896 205 L HN 0.867 nan 8.230 nan 0.000 0.433 206 G N -1.349 107.450 108.800 -0.002 0.000 2.418 206 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.217 206 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.217 206 G C 1.407 176.282 174.900 -0.041 0.000 1.158 206 G CA 0.745 45.829 45.100 -0.026 0.000 0.771 206 G HN 0.520 nan 8.290 nan 0.000 0.545 207 E N 0.132 120.308 120.200 -0.041 0.000 2.110 207 E HA -0.056 4.293 4.350 -0.001 0.000 0.193 207 E C 2.456 179.031 176.600 -0.043 0.000 0.988 207 E CA 0.536 56.908 56.400 -0.048 0.000 0.804 207 E CB -0.132 29.535 29.700 -0.055 0.000 0.745 207 E HN 0.481 nan 8.360 nan 0.000 0.458 208 I N 0.835 121.397 120.570 -0.014 0.000 2.202 208 I HA -0.238 3.931 4.170 -0.001 0.000 0.242 208 I C 2.379 178.434 176.117 -0.104 0.000 1.091 208 I CA 0.847 62.154 61.300 0.012 0.000 1.368 208 I CB -0.232 37.823 38.000 0.093 0.000 1.058 208 I HN -0.011 nan 8.210 nan 0.000 0.410 209 V N 0.881 120.723 119.914 -0.119 0.000 2.407 209 V HA -0.286 3.833 4.120 -0.001 0.000 0.248 209 V C 2.057 178.061 176.094 -0.149 0.000 1.055 209 V CA 1.908 64.073 62.300 -0.225 0.000 1.049 209 V CB -0.729 30.961 31.823 -0.222 0.000 0.662 209 V HN 0.397 nan 8.190 nan 0.000 0.455 210 D N -0.032 120.303 120.400 -0.108 0.000 2.084 210 D HA -0.135 4.504 4.640 -0.001 0.000 0.194 210 D C 2.045 178.199 176.300 -0.244 0.000 0.990 210 D CA 1.022 54.961 54.000 -0.102 0.000 0.826 210 D CB -0.356 40.386 40.800 -0.096 0.000 0.971 210 D HN 0.209 nan 8.370 nan 0.000 0.453 211 L N 0.441 121.445 121.223 -0.365 0.000 2.012 211 L HA -0.159 4.180 4.340 -0.001 0.000 0.210 211 L C 2.302 178.415 176.870 -1.262 0.000 1.073 211 L CA 1.165 55.553 54.840 -0.753 0.000 0.748 211 L CB -0.928 40.759 42.059 -0.620 0.000 0.891 211 L HN 0.063 nan 8.230 nan 0.000 0.431 212 L N -2.141 118.591 121.223 -0.817 0.000 2.017 212 L HA -0.234 4.105 4.340 -0.001 0.000 0.208 212 L C 2.395 178.896 176.870 -0.616 0.000 1.073 212 L CA 1.670 56.080 54.840 -0.717 0.000 0.745 212 L CB -1.238 40.551 42.059 -0.450 0.000 0.894 212 L HN 0.221 nan 8.230 nan 0.000 0.432 213 Y N -0.035 120.051 120.300 -0.356 0.000 2.224 213 Y HA -0.233 4.316 4.550 -0.001 0.000 0.289 213 Y C 2.605 178.368 175.900 -0.228 0.000 1.146 213 Y CA 1.482 59.437 58.100 -0.242 0.000 1.182 213 Y CB -0.456 37.889 38.460 -0.192 0.000 0.983 213 Y HN 0.200 nan 8.280 nan 0.000 0.524 214 K N -0.527 119.780 120.400 -0.154 0.000 2.097 214 K HA -0.166 4.154 4.320 -0.001 0.000 0.206 214 K C 1.754 178.341 176.600 -0.021 0.000 1.049 214 K CA 1.411 57.627 56.287 -0.118 0.000 0.933 214 K CB -0.323 32.069 32.500 -0.181 0.000 0.717 214 K HN 0.107 nan 8.250 nan 0.000 0.442 215 F N 1.769 121.595 119.950 -0.206 0.000 2.134 215 F HA -0.118 4.408 4.527 -0.001 0.000 0.299 215 F C 2.364 178.035 175.800 -0.215 0.000 1.097 215 F CA 1.121 58.983 58.000 -0.230 0.000 1.264 215 F CB -0.815 37.929 39.000 -0.425 0.000 1.001 215 F HN 0.070 nan 8.300 nan 0.000 0.479 216 K N 0.247 120.595 120.400 -0.086 0.000 2.025 216 K HA -0.173 4.146 4.320 -0.001 0.000 0.207 216 K C 1.948 178.567 176.600 0.032 0.000 1.049 216 K CA 1.325 57.623 56.287 0.017 0.000 0.933 216 K CB -0.150 32.389 32.500 0.064 0.000 0.714 216 K HN 0.282 nan 8.250 nan 0.000 0.438 217 Q N -0.194 119.621 119.800 0.026 0.000 2.369 217 Q HA -0.027 4.313 4.340 -0.001 0.000 0.206 217 Q C 1.810 177.801 176.000 -0.015 0.000 0.963 217 Q CA 0.916 56.723 55.803 0.007 0.000 0.894 217 Q CB 0.254 28.995 28.738 0.005 0.000 0.965 217 Q HN 0.181 nan 8.270 nan 0.000 0.475 218 S N 0.432 116.128 115.700 -0.008 0.000 2.469 218 S HA -0.126 4.343 4.470 -0.001 0.000 0.238 218 S C 1.637 176.188 174.600 -0.083 0.000 0.998 218 S CA 0.754 58.937 58.200 -0.027 0.000 0.957 218 S CB -0.053 63.142 63.200 -0.007 0.000 0.764 218 S HN 0.257 nan 8.310 nan 0.000 0.514 219 R N 0.743 121.160 120.500 -0.139 0.000 2.081 219 R HA 0.003 4.343 4.340 -0.001 0.000 0.235 219 R C 1.801 177.955 176.300 -0.243 0.000 1.131 219 R CA 1.157 57.030 56.100 -0.379 0.000 0.960 219 R CB -0.374 29.695 30.300 -0.385 0.000 0.856 219 R HN 0.230 nan 8.270 nan 0.000 0.436 220 L N 0.734 121.901 121.223 -0.093 0.000 2.023 220 L HA -0.073 4.267 4.340 -0.001 0.000 0.205 220 L C 1.015 177.896 176.870 0.019 0.000 1.073 220 L CA 1.969 56.803 54.840 -0.010 0.000 0.745 220 L CB -0.786 41.274 42.059 0.003 0.000 0.900 220 L HN 0.359 nan 8.230 nan 0.000 0.435 221 D N -1.214 119.187 120.400 0.003 0.000 2.352 221 D HA -0.022 4.618 4.640 -0.001 0.000 0.236 221 D C 0.251 176.560 176.300 0.014 0.000 1.148 221 D CA -0.170 53.838 54.000 0.014 0.000 0.844 221 D CB -0.093 40.709 40.800 0.002 0.000 0.933 221 D HN -0.008 nan 8.370 nan 0.000 0.507 222 R N -1.109 119.406 120.500 0.024 0.000 3.610 222 R HA -0.171 4.169 4.340 -0.001 0.000 0.274 222 R C -0.225 176.055 176.300 -0.034 0.000 1.123 222 R CA 0.644 56.759 56.100 0.025 0.000 0.747 222 R CB -3.439 26.892 30.300 0.052 0.000 1.149 222 R HN 0.315 nan 8.270 nan 0.000 0.471 223 T N 0.608 115.136 114.554 -0.043 0.000 2.849 223 T HA 0.567 4.917 4.350 -0.001 0.000 0.284 223 T C 0.407 175.043 174.700 -0.106 0.000 1.004 223 T CA -0.312 61.751 62.100 -0.062 0.000 1.021 223 T CB 0.886 69.728 68.868 -0.043 0.000 1.013 223 T HN 0.015 nan 8.240 nan 0.000 0.527 224 L N 2.413 123.561 121.223 -0.126 0.000 2.354 224 L HA 0.573 4.913 4.340 -0.001 0.000 0.264 224 L C -2.172 174.567 176.870 -0.217 0.000 1.008 224 L CA -2.421 52.296 54.840 -0.206 0.000 0.819 224 L CB 1.144 43.098 42.059 -0.176 0.000 1.339 224 L HN 0.437 nan 8.230 nan 0.000 0.420 225 P HA 0.212 nan 4.420 nan 0.000 0.274 225 P C -0.987 176.218 177.300 -0.158 0.000 1.231 225 P CA -0.604 62.327 63.100 -0.281 0.000 0.790 225 P CB 0.497 31.812 31.700 -0.640 0.000 0.951 226 K N 2.345 122.707 120.400 -0.064 0.000 2.220 226 K HA 0.088 4.407 4.320 -0.001 0.000 0.283 226 K C 0.413 176.985 176.600 -0.047 0.000 1.098 226 K CA -0.348 55.914 56.287 -0.043 0.000 0.928 226 K CB -0.132 32.362 32.500 -0.010 0.000 1.214 226 K HN 0.293 nan 8.250 nan 0.000 0.442 227 L N 2.921 124.105 121.223 -0.066 0.000 2.549 227 L HA -0.123 4.216 4.340 -0.001 0.000 0.229 227 L C 1.252 178.110 176.870 -0.020 0.000 1.158 227 L CA 1.427 56.233 54.840 -0.056 0.000 0.842 227 L CB -0.697 41.324 42.059 -0.064 0.000 0.952 227 L HN 0.629 nan 8.230 nan 0.000 0.452 228 D N -2.464 117.932 120.400 -0.006 0.000 2.342 228 D HA -0.044 4.595 4.640 -0.001 0.000 0.221 228 D C 0.532 176.852 176.300 0.033 0.000 1.101 228 D CA -0.080 53.928 54.000 0.014 0.000 0.837 228 D CB -0.375 40.433 40.800 0.014 0.000 0.938 228 D HN 0.135 nan 8.370 nan 0.000 0.508 229 N N 1.405 120.123 118.700 0.030 0.000 2.558 229 N HA 0.036 4.775 4.740 -0.001 0.000 0.242 229 N C 0.835 176.378 175.510 0.054 0.000 0.979 229 N CA -0.460 52.625 53.050 0.058 0.000 0.931 229 N CB 1.259 39.779 38.487 0.055 0.000 1.122 229 N HN -0.078 nan 8.380 nan 0.000 0.508 230 L N 5.046 126.334 121.223 0.108 0.000 2.021 230 L HA -0.172 4.167 4.340 -0.001 0.000 0.215 230 L C 1.775 178.623 176.870 -0.038 0.000 1.074 230 L CA 1.864 56.779 54.840 0.125 0.000 0.760 230 L CB -1.088 41.164 42.059 0.322 0.000 0.889 230 L HN 0.612 nan 8.230 nan 0.000 0.433 231 F N 0.489 120.265 119.950 -0.290 0.000 2.095 231 F HA -0.237 4.290 4.527 -0.001 0.000 0.298 231 F C 2.576 178.180 175.800 -0.327 0.000 1.104 231 F CA 2.119 59.690 58.000 -0.715 0.000 1.232 231 F CB -0.459 38.107 39.000 -0.724 0.000 0.987 231 F HN 0.361 nan 8.300 nan 0.000 0.475 232 E N 0.301 120.354 120.200 -0.245 0.000 2.077 232 E HA -0.292 4.058 4.350 -0.001 0.000 0.193 232 E C 2.391 178.911 176.600 -0.134 0.000 0.989 232 E CA 1.583 57.906 56.400 -0.128 0.000 0.800 232 E CB -0.303 29.427 29.700 0.050 0.000 0.746 232 E HN 0.456 nan 8.360 nan 0.000 0.452 233 K N 0.233 120.544 120.400 -0.148 0.000 2.032 233 K HA -0.205 4.114 4.320 -0.001 0.000 0.209 233 K C 1.629 178.103 176.600 -0.209 0.000 1.048 233 K CA 1.954 58.164 56.287 -0.130 0.000 0.927 233 K CB -0.056 32.392 32.500 -0.087 0.000 0.712 233 K HN 0.117 nan 8.250 nan 0.000 0.441 234 D N 0.901 121.065 120.400 -0.393 0.000 2.117 234 D HA -0.164 4.475 4.640 -0.001 0.000 0.197 234 D C 1.920 177.996 176.300 -0.373 0.000 0.987 234 D CA 0.754 54.331 54.000 -0.704 0.000 0.829 234 D CB -0.213 39.867 40.800 -1.201 0.000 0.961 234 D HN 0.156 nan 8.370 nan 0.000 0.460 235 L N 0.148 121.140 121.223 -0.385 0.000 2.083 235 L HA -0.178 4.161 4.340 -0.001 0.000 0.209 235 L C 2.211 179.130 176.870 0.082 0.000 1.083 235 L CA 1.416 56.153 54.840 -0.172 0.000 0.752 235 L CB -0.805 40.963 42.059 -0.485 0.000 0.899 235 L HN 0.011 nan 8.230 nan 0.000 0.433 236 Y N -0.386 119.739 120.300 -0.292 0.000 2.128 236 Y HA -0.256 4.294 4.550 -0.001 0.000 0.284 236 Y C 2.695 178.442 175.900 -0.255 0.000 1.154 236 Y CA 1.889 59.557 58.100 -0.720 0.000 1.149 236 Y CB -0.651 37.245 38.460 -0.940 0.000 0.976 236 Y HN 0.209 nan 8.280 nan 0.000 0.505 237 S N -0.949 114.598 115.700 -0.256 0.000 2.368 237 S HA -0.231 4.238 4.470 -0.001 0.000 0.225 237 S C 2.158 176.681 174.600 -0.128 0.000 1.030 237 S CA 1.836 59.895 58.200 -0.236 0.000 0.999 237 S CB -0.807 62.350 63.200 -0.072 0.000 0.844 237 S HN 0.771 nan 8.310 nan 0.000 0.459 238 T N -0.163 114.422 114.554 0.052 0.000 2.821 238 T HA -0.152 4.198 4.350 -0.001 0.000 0.267 238 T C 1.664 176.476 174.700 0.187 0.000 1.046 238 T CA 1.208 63.404 62.100 0.159 0.000 1.139 238 T CB -0.555 68.555 68.868 0.404 0.000 0.871 238 T HN 0.469 nan 8.240 nan 0.000 0.454 239 Y N 1.406 121.759 120.300 0.090 0.000 2.128 239 Y HA -0.030 4.519 4.550 -0.001 0.000 0.284 239 Y C 1.985 177.889 175.900 0.006 0.000 1.154 239 Y CA 1.265 59.446 58.100 0.135 0.000 1.149 239 Y CB -0.711 37.832 38.460 0.139 0.000 0.976 239 Y HN 0.187 nan 8.280 nan 0.000 0.505 240 L N 0.443 121.486 121.223 -0.299 0.000 2.129 240 L HA -0.231 4.109 4.340 -0.001 0.000 0.212 240 L C 2.848 179.507 176.870 -0.352 0.000 1.087 240 L CA 2.177 56.776 54.840 -0.403 0.000 0.757 240 L CB -1.541 40.241 42.059 -0.462 0.000 0.896 240 L HN 0.535 nan 8.230 nan 0.000 0.434 241 S N -2.024 113.498 115.700 -0.297 0.000 2.447 241 S HA -0.189 4.281 4.470 -0.001 0.000 0.233 241 S C 1.661 176.051 174.600 -0.350 0.000 1.006 241 S CA 0.672 58.682 58.200 -0.316 0.000 0.957 241 S CB -0.662 62.320 63.200 -0.365 0.000 0.773 241 S HN 0.464 nan 8.310 nan 0.000 0.507 242 Y N 0.913 121.138 120.300 -0.126 0.000 2.470 242 Y HA 0.503 5.052 4.550 -0.001 0.000 0.284 242 Y C 0.399 176.223 175.900 -0.126 0.000 1.188 242 Y CA -0.937 57.129 58.100 -0.057 0.000 1.269 242 Y CB -0.173 38.268 38.460 -0.033 0.000 1.094 242 Y HN 0.214 nan 8.280 nan 0.000 0.518 243 L N 2.088 123.280 121.223 -0.052 0.000 2.416 243 L HA 0.260 4.599 4.340 -0.001 0.000 0.272 243 L C -2.092 174.885 176.870 0.178 0.000 1.161 243 L CA -2.385 52.465 54.840 0.018 0.000 0.845 243 L CB 0.164 42.246 42.059 0.038 0.000 1.119 243 L HN -0.071 nan 8.230 nan 0.000 0.464 244 P HA 0.044 nan 4.420 nan 0.000 0.265 244 P C 0.460 177.750 177.300 -0.017 0.000 1.193 244 P CA 0.074 63.192 63.100 0.030 0.000 0.765 244 P CB 0.512 32.198 31.700 -0.024 0.000 0.823 245 S N 0.615 116.222 115.700 -0.155 0.000 2.500 245 S HA -0.138 4.332 4.470 -0.001 0.000 0.239 245 S C 1.261 175.397 174.600 -0.775 0.000 0.989 245 S CA 1.528 59.364 58.200 -0.607 0.000 0.951 245 S CB -1.189 61.823 63.200 -0.314 0.000 0.759 245 S HN 0.587 nan 8.310 nan 0.000 0.523 246 T N -3.074 111.256 114.554 -0.373 0.000 3.134 246 T HA 0.301 4.650 4.350 -0.001 0.000 0.260 246 T C 0.275 174.892 174.700 -0.139 0.000 1.027 246 T CA -0.085 61.864 62.100 -0.251 0.000 0.913 246 T CB 0.179 68.968 68.868 -0.131 0.000 1.046 246 T HN 0.195 nan 8.240 nan 0.000 0.553 247 D N -0.022 120.324 120.400 -0.090 0.000 2.720 247 D HA 0.275 4.915 4.640 -0.001 0.000 0.285 247 D C 0.201 176.689 176.300 0.313 0.000 1.359 247 D CA -0.806 53.253 54.000 0.098 0.000 0.818 247 D CB -0.236 40.622 40.800 0.097 0.000 1.108 247 D HN 0.177 nan 8.370 nan 0.000 0.474 248 F N 0.612 120.595 119.950 0.055 0.000 2.558 248 F HA 0.129 4.656 4.527 -0.000 0.000 0.298 248 F C 1.455 177.332 175.800 0.129 0.000 1.119 248 F CA 0.009 58.051 58.000 0.071 0.000 1.451 248 F CB -0.677 38.346 39.000 0.039 0.000 1.091 248 F HN -0.022 nan 8.300 nan 0.000 0.563 249 S N -0.261 115.623 115.700 0.307 0.000 2.638 249 S HA 0.723 5.193 4.470 -0.001 0.000 0.302 249 S C -1.154 173.623 174.600 0.295 0.000 1.096 249 S CA -0.513 57.823 58.200 0.225 0.000 0.953 249 S CB 2.334 65.589 63.200 0.091 0.000 1.107 249 S HN 0.154 nan 8.310 nan 0.000 0.503 250 Y N -1.396 118.960 120.300 0.094 0.000 2.513 250 Y HA 0.782 5.332 4.550 -0.001 0.000 0.340 250 Y C -2.989 172.952 175.900 0.069 0.000 1.055 250 Y CA -2.388 55.761 58.100 0.082 0.000 1.020 250 Y CB 0.033 38.550 38.460 0.095 0.000 1.301 250 Y HN 0.645 nan 8.280 nan 0.000 0.453 251 P HA 0.284 nan 4.420 nan 0.000 0.279 251 P C -1.162 176.194 177.300 0.093 0.000 1.239 251 P CA -0.193 62.937 63.100 0.051 0.000 0.789 251 P CB 1.865 33.604 31.700 0.065 0.000 0.933 252 L N 2.696 123.935 121.223 0.027 0.000 2.399 252 L HA 0.285 4.624 4.340 -0.001 0.000 0.265 252 L C 0.098 177.003 176.870 0.059 0.000 1.089 252 L CA -0.944 53.936 54.840 0.066 0.000 0.802 252 L CB 0.785 42.853 42.059 0.015 0.000 1.180 252 L HN 0.334 nan 8.230 nan 0.000 0.454 253 L N 3.436 124.704 121.223 0.075 0.000 2.334 253 L HA 0.346 4.686 4.340 -0.001 0.000 0.286 253 L C -0.246 176.653 176.870 0.048 0.000 1.108 253 L CA 0.381 55.259 54.840 0.063 0.000 0.875 253 L CB -0.250 41.856 42.059 0.078 0.000 1.246 253 L HN 0.502 nan 8.230 nan 0.000 0.439 254 M N 4.141 123.759 119.600 0.030 0.000 2.146 254 M HA 0.205 4.684 4.480 -0.001 0.000 0.352 254 M C -0.203 176.122 176.300 0.043 0.000 1.343 254 M CA 0.085 55.398 55.300 0.021 0.000 1.115 254 M CB 0.344 32.945 32.600 0.000 0.000 1.657 254 M HN 0.518 nan 8.290 nan 0.000 0.471 255 N N 2.754 121.497 118.700 0.071 0.000 2.437 255 N HA 0.355 5.095 4.740 -0.001 0.000 0.243 255 N C -1.139 174.406 175.510 0.059 0.000 1.041 255 N CA -0.185 52.910 53.050 0.076 0.000 0.940 255 N CB 0.935 39.487 38.487 0.110 0.000 1.133 255 N HN 0.292 nan 8.380 nan 0.000 0.506 256 V N 1.699 121.634 119.914 0.036 0.000 2.630 256 V HA 0.610 4.729 4.120 -0.001 0.000 0.305 256 V C -0.014 176.091 176.094 0.018 0.000 1.046 256 V CA -0.578 61.737 62.300 0.024 0.000 0.934 256 V CB 1.788 33.619 31.823 0.014 0.000 1.003 256 V HN 0.814 nan 8.190 nan 0.000 0.451 257 D N 0.509 120.917 120.400 0.013 0.000 3.145 257 D HA 0.140 4.780 4.640 -0.001 0.000 0.345 257 D C 0.233 176.535 176.300 0.004 0.000 1.391 257 D CA -0.406 53.598 54.000 0.007 0.000 0.930 257 D CB 0.384 41.188 40.800 0.006 0.000 1.451 257 D HN 0.257 nan 8.370 nan 0.000 0.555 258 D N -0.652 119.749 120.400 0.001 0.000 2.144 258 D HA -0.044 4.595 4.640 -0.001 0.000 0.200 258 D C 1.732 178.032 176.300 -0.000 0.000 0.978 258 D CA 1.030 55.030 54.000 -0.000 0.000 0.833 258 D CB 0.072 40.871 40.800 -0.002 0.000 0.961 258 D HN 0.249 nan 8.370 nan 0.000 0.470 259 R N 0.086 120.586 120.500 -0.000 0.000 2.189 259 R HA 0.179 4.518 4.340 -0.001 0.000 0.218 259 R C 1.447 177.747 176.300 0.001 0.000 1.074 259 R CA 0.836 56.935 56.100 -0.001 0.000 0.991 259 R CB 0.079 30.378 30.300 -0.002 0.000 0.883 259 R HN 0.238 nan 8.270 nan 0.000 0.457 260 G N -1.360 107.443 108.800 0.005 0.000 2.174 260 G HA2 0.013 3.973 3.960 -0.001 0.000 0.070 260 G HA3 0.013 3.973 3.960 -0.001 0.000 0.070 260 G C -1.149 173.760 174.900 0.015 0.000 1.120 260 G CA -0.250 44.852 45.100 0.004 0.000 1.194 260 G HN 0.396 nan 8.290 nan 0.000 0.435 261 S N -1.152 114.562 115.700 0.024 0.000 2.565 261 S HA 0.752 5.222 4.470 -0.001 0.000 0.269 261 S C -1.742 172.913 174.600 0.093 0.000 1.153 261 S CA -0.422 57.806 58.200 0.046 0.000 0.835 261 S CB 2.343 65.549 63.200 0.009 0.000 1.122 261 S HN 1.831 nan 8.310 nan 0.000 0.462 262 F N 1.175 121.092 119.950 -0.055 0.000 2.536 262 F HA 0.673 5.200 4.527 -0.001 0.000 0.322 262 F C -0.873 174.899 175.800 -0.047 0.000 1.144 262 F CA 0.100 58.060 58.000 -0.067 0.000 0.924 262 F CB 2.149 41.094 39.000 -0.092 0.000 1.181 262 F HN 0.774 nan 8.300 nan 0.000 0.438 263 T N 4.845 119.127 114.554 -0.453 0.000 2.848 263 T HA 0.295 4.644 4.350 -0.001 0.000 0.285 263 T C -0.810 173.723 174.700 -0.278 0.000 0.995 263 T CA -0.759 61.200 62.100 -0.234 0.000 0.970 263 T CB 1.559 70.336 68.868 -0.151 0.000 0.976 263 T HN 0.512 nan 8.240 nan 0.000 0.441 264 E N 1.618 121.781 120.200 -0.062 0.000 2.313 264 E HA 0.259 4.609 4.350 -0.001 0.000 0.276 264 E C -0.224 176.454 176.600 0.129 0.000 1.031 264 E CA -0.332 56.079 56.400 0.019 0.000 0.857 264 E CB 0.821 30.576 29.700 0.092 0.000 1.040 264 E HN 0.514 nan 8.360 nan 0.000 0.408 265 F N 3.150 123.073 119.950 -0.045 0.000 2.479 265 F HA 0.346 4.873 4.527 -0.001 0.000 0.280 265 F C -0.004 175.823 175.800 0.046 0.000 0.982 265 F CA 0.095 58.090 58.000 -0.009 0.000 1.276 265 F CB 0.562 39.541 39.000 -0.034 0.000 1.137 265 F HN 0.309 nan 8.300 nan 0.000 0.660 266 I N 1.796 122.221 120.570 -0.241 0.000 2.569 266 I HA 0.318 4.487 4.170 -0.001 0.000 0.290 266 I C -1.163 174.885 176.117 -0.115 0.000 1.088 266 I CA -0.552 60.545 61.300 -0.339 0.000 1.047 266 I CB 2.051 39.682 38.000 -0.615 0.000 1.237 266 I HN -0.070 nan 8.210 nan 0.000 0.421 267 K N 4.198 124.550 120.400 -0.080 0.000 2.324 267 K HA 0.817 5.137 4.320 -0.001 0.000 0.253 267 K C -0.852 175.725 176.600 -0.037 0.000 0.932 267 K CA -0.767 55.497 56.287 -0.038 0.000 0.799 267 K CB 2.501 34.993 32.500 -0.012 0.000 1.154 267 K HN 0.689 nan 8.250 nan 0.000 0.425 268 T N -1.783 112.759 114.554 -0.019 0.000 2.900 268 T HA 0.399 4.749 4.350 -0.001 0.000 0.303 268 T C -2.281 172.417 174.700 -0.003 0.000 1.142 268 T CA -1.475 60.619 62.100 -0.011 0.000 1.007 268 T CB 2.033 70.906 68.868 0.008 0.000 1.156 268 T HN 0.284 nan 8.240 nan 0.000 0.490 269 P HA 0.175 nan 4.420 nan 0.000 0.240 269 P C 0.064 177.372 177.300 0.012 0.000 1.190 269 P CA 0.606 63.705 63.100 -0.002 0.000 0.781 269 P CB 0.092 31.788 31.700 -0.007 0.000 0.931 270 D N -1.577 118.839 120.400 0.027 0.000 2.500 270 D HA 0.058 4.697 4.640 -0.001 0.000 0.217 270 D C 1.158 177.510 176.300 0.087 0.000 1.159 270 D CA -0.004 54.023 54.000 0.045 0.000 0.828 270 D CB 0.019 40.837 40.800 0.030 0.000 1.039 270 D HN 0.025 nan 8.370 nan 0.000 0.512 271 R N 0.635 121.208 120.500 0.122 0.000 2.582 271 R HA 0.520 4.859 4.340 -0.001 0.000 0.453 271 R C 0.627 177.177 176.300 0.418 0.000 0.969 271 R CA 0.064 56.303 56.100 0.232 0.000 1.113 271 R CB 1.296 31.688 30.300 0.154 0.000 1.507 271 R HN 0.164 nan 8.270 nan 0.000 0.587 272 G N 2.407 111.329 108.800 0.203 0.000 2.642 272 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.231 272 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.231 272 G C -0.736 174.136 174.900 -0.046 0.000 1.338 272 G CA -0.042 45.025 45.100 -0.054 0.000 0.883 272 G HN 0.392 nan 8.290 nan 0.000 0.570 273 Q N -2.348 117.298 119.800 -0.257 0.000 2.511 273 Q HA 0.732 5.071 4.340 -0.001 0.000 0.289 273 Q C -0.918 175.043 176.000 -0.066 0.000 1.021 273 Q CA -0.690 55.061 55.803 -0.086 0.000 0.785 273 Q CB 2.517 31.212 28.738 -0.072 0.000 1.472 273 Q HN 2.136 nan 8.270 nan 0.000 0.411 274 V N -0.469 119.489 119.914 0.074 0.000 2.656 274 V HA 0.863 4.982 4.120 -0.001 0.000 0.307 274 V C -1.288 174.879 176.094 0.122 0.000 1.051 274 V CA -0.003 62.393 62.300 0.159 0.000 0.893 274 V CB 1.852 33.852 31.823 0.295 0.000 0.999 274 V HN 0.906 nan 8.190 nan 0.000 0.426 275 S N 3.505 119.218 115.700 0.022 0.000 2.709 275 S HA 0.849 5.318 4.470 -0.001 0.000 0.302 275 S C -0.819 173.611 174.600 -0.283 0.000 1.127 275 S CA -0.696 57.389 58.200 -0.192 0.000 0.905 275 S CB 2.019 64.913 63.200 -0.511 0.000 1.151 275 S HN 0.929 nan 8.310 nan 0.000 0.510 276 V N 2.598 122.244 119.914 -0.447 0.000 2.378 276 V HA 0.449 4.569 4.120 -0.001 0.000 0.288 276 V C -0.250 175.568 176.094 -0.460 0.000 1.016 276 V CA -0.784 61.302 62.300 -0.357 0.000 0.840 276 V CB 1.343 33.008 31.823 -0.263 0.000 0.994 276 V HN 0.842 nan 8.190 nan 0.000 0.431 277 N N 5.389 123.900 118.700 -0.315 0.000 2.421 277 N HA 0.553 5.292 4.740 -0.001 0.000 0.285 277 N C -1.301 174.145 175.510 -0.108 0.000 1.027 277 N CA -0.419 52.532 53.050 -0.164 0.000 0.918 277 N CB 1.542 40.009 38.487 -0.033 0.000 1.152 277 N HN 0.608 nan 8.380 nan 0.000 0.485 278 I N 1.838 122.371 120.570 -0.062 0.000 2.418 278 I HA 0.190 4.360 4.170 -0.001 0.000 0.287 278 I C -0.240 175.862 176.117 -0.026 0.000 1.008 278 I CA -0.572 60.697 61.300 -0.052 0.000 1.104 278 I CB 1.887 39.855 38.000 -0.055 0.000 1.264 278 I HN 0.313 nan 8.210 nan 0.000 0.438 279 S N 5.508 121.190 115.700 -0.030 0.000 2.478 279 S HA 0.413 4.882 4.470 -0.001 0.000 0.312 279 S C -0.338 174.253 174.600 -0.016 0.000 1.094 279 S CA -0.825 57.363 58.200 -0.020 0.000 1.081 279 S CB 1.514 64.699 63.200 -0.026 0.000 1.007 279 S HN 0.426 nan 8.310 nan 0.000 0.475 280 K N 2.880 123.274 120.400 -0.010 0.000 2.355 280 K HA 0.127 4.446 4.320 -0.001 0.000 0.270 280 K C -1.711 174.887 176.600 -0.004 0.000 1.003 280 K CA -1.680 54.602 56.287 -0.007 0.000 0.957 280 K CB 0.161 32.658 32.500 -0.005 0.000 0.939 280 K HN 0.226 nan 8.250 nan 0.000 0.482 281 P HA -0.288 nan 4.420 nan 0.000 0.230 281 P C 0.596 177.900 177.300 0.006 0.000 1.153 281 P CA 1.840 64.941 63.100 0.003 0.000 0.891 281 P CB 0.204 31.906 31.700 0.002 0.000 0.773 282 G N -3.218 105.585 108.800 0.005 0.000 3.443 282 G HA2 0.163 4.122 3.960 -0.001 0.000 0.252 282 G HA3 0.163 4.122 3.960 -0.001 0.000 0.252 282 G C 0.378 175.282 174.900 0.006 0.000 1.015 282 G CA -0.067 45.038 45.100 0.008 0.000 0.891 282 G HN 0.212 nan 8.290 nan 0.000 0.510 283 I N 0.246 120.817 120.570 0.002 0.000 3.004 283 I HA 0.603 4.773 4.170 -0.001 0.000 0.287 283 I C -0.842 175.272 176.117 -0.004 0.000 1.144 283 I CA 0.045 61.345 61.300 -0.001 0.000 1.353 283 I CB 0.618 38.616 38.000 -0.003 0.000 1.417 283 I HN -0.197 nan 8.210 nan 0.000 0.602 284 T N 4.954 119.504 114.554 -0.007 0.000 2.886 284 T HA 0.543 4.893 4.350 -0.001 0.000 0.292 284 T C -0.339 174.346 174.700 -0.024 0.000 1.012 284 T CA -0.692 61.399 62.100 -0.015 0.000 0.982 284 T CB 1.766 70.627 68.868 -0.011 0.000 1.018 284 T HN 0.597 nan 8.240 nan 0.000 0.451 285 K N 1.024 121.399 120.400 -0.041 0.000 2.395 285 K HA 0.799 5.118 4.320 -0.001 0.000 0.247 285 K C 0.538 177.065 176.600 -0.122 0.000 0.973 285 K CA -0.739 55.512 56.287 -0.061 0.000 0.828 285 K CB 2.243 34.715 32.500 -0.048 0.000 1.272 285 K HN 0.827 nan 8.250 nan 0.000 0.439 286 G N 1.074 109.735 108.800 -0.232 0.000 2.846 286 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.225 286 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.225 286 G C -0.800 173.722 174.900 -0.629 0.000 1.285 286 G CA -0.223 44.517 45.100 -0.600 0.000 1.055 286 G HN 0.624 nan 8.290 nan 0.000 0.579 287 N N 1.978 120.361 118.700 -0.529 0.000 2.708 287 N HA -0.154 4.586 4.740 -0.001 0.000 0.255 287 N C -0.001 175.215 175.510 -0.491 0.000 1.046 287 N CA 2.230 55.021 53.050 -0.432 0.000 0.715 287 N CB -1.936 36.371 38.487 -0.299 0.000 0.895 287 N HN 1.451 nan 8.380 nan 0.000 0.545 288 H N -2.702 116.116 119.070 -0.420 0.000 3.014 288 H HA 0.634 5.190 4.556 -0.001 0.000 0.337 288 H C -0.879 174.181 175.328 -0.447 0.000 1.320 288 H CA -1.161 54.653 56.048 -0.389 0.000 1.128 288 H CB 1.453 31.013 29.762 -0.336 0.000 1.862 288 H HN 0.185 nan 8.280 nan 0.000 0.536 289 W N 0.822 121.942 121.300 -0.299 0.000 2.967 289 W HA 0.633 5.292 4.660 -0.001 0.000 0.342 289 W C -1.546 174.640 176.519 -0.556 0.000 1.162 289 W CA -0.896 56.264 57.345 -0.308 0.000 1.085 289 W CB 1.193 30.621 29.460 -0.053 0.000 1.460 289 W HN 0.635 nan 8.180 nan 0.000 0.584 290 H N -0.518 118.728 119.070 0.294 0.000 2.865 290 H HA 0.272 4.828 4.556 -0.001 0.000 0.372 290 H C -0.011 175.513 175.328 0.327 0.000 1.173 290 H CA -0.520 55.534 56.048 0.009 0.000 1.147 290 H CB 2.612 32.384 29.762 0.017 0.000 1.805 290 H HN 0.601 nan 8.280 nan 0.000 0.553 291 H N 0.281 119.602 119.070 0.417 0.000 2.355 291 H HA -0.059 4.497 4.556 -0.001 0.000 0.303 291 H C 1.393 176.878 175.328 0.261 0.000 1.061 291 H CA 2.134 58.428 56.048 0.410 0.000 1.368 291 H CB 0.774 30.734 29.762 0.331 0.000 1.412 291 H HN 0.675 nan 8.280 nan 0.000 0.523 292 T N -2.704 112.037 114.554 0.311 0.000 3.080 292 T HA 0.114 4.464 4.350 -0.001 0.000 0.280 292 T C 0.387 175.137 174.700 0.083 0.000 0.926 292 T CA -0.537 61.670 62.100 0.178 0.000 0.883 292 T CB 0.292 69.236 68.868 0.126 0.000 1.194 292 T HN -0.006 nan 8.240 nan 0.000 0.541 293 K N 3.025 123.440 120.400 0.025 0.000 2.350 293 K HA 0.241 4.560 4.320 -0.001 0.000 0.279 293 K C -0.416 176.095 176.600 -0.148 0.000 1.027 293 K CA -0.250 55.936 56.287 -0.168 0.000 0.969 293 K CB 0.287 32.524 32.500 -0.439 0.000 0.954 293 K HN 0.655 nan 8.250 nan 0.000 0.474 294 N N 2.194 120.812 118.700 -0.137 0.000 2.396 294 N HA 0.284 5.024 4.740 -0.001 0.000 0.275 294 N C -1.400 174.070 175.510 -0.067 0.000 1.218 294 N CA -0.784 52.236 53.050 -0.050 0.000 0.812 294 N CB 1.956 40.473 38.487 0.051 0.000 1.592 294 N HN 0.565 nan 8.380 nan 0.000 0.480 295 E N 0.171 120.348 120.200 -0.038 0.000 2.431 295 E HA 0.511 4.860 4.350 -0.001 0.000 0.268 295 E C -1.256 175.418 176.600 0.124 0.000 0.953 295 E CA -0.864 55.567 56.400 0.052 0.000 0.810 295 E CB 2.266 31.981 29.700 0.025 0.000 1.369 295 E HN 0.409 nan 8.360 nan 0.000 0.440 296 K N 1.109 121.695 120.400 0.310 0.000 2.613 296 K HA 0.375 4.694 4.320 -0.001 0.000 0.248 296 K C -1.530 175.330 176.600 0.433 0.000 0.959 296 K CA -0.532 55.915 56.287 0.267 0.000 0.855 296 K CB 0.964 33.643 32.500 0.299 0.000 1.143 296 K HN 0.222 nan 8.250 nan 0.000 0.437 297 F N 2.923 122.932 119.950 0.099 0.000 2.404 297 F HA 0.459 4.985 4.527 -0.001 0.000 0.339 297 F C -0.091 175.744 175.800 0.058 0.000 1.105 297 F CA -1.425 56.622 58.000 0.079 0.000 1.087 297 F CB 1.131 40.162 39.000 0.053 0.000 1.143 297 F HN 0.266 nan 8.300 nan 0.000 0.491 298 L N 5.513 126.864 121.223 0.213 0.000 2.457 298 L HA 0.519 4.858 4.340 -0.001 0.000 0.266 298 L C -1.097 175.809 176.870 0.059 0.000 0.979 298 L CA -0.765 54.147 54.840 0.119 0.000 0.857 298 L CB 1.429 43.546 42.059 0.097 0.000 1.213 298 L HN 0.319 nan 8.230 nan 0.000 0.418 299 V N 4.263 124.209 119.914 0.053 0.000 2.461 299 V HA 0.464 4.583 4.120 -0.001 0.000 0.275 299 V C 0.673 176.777 176.094 0.016 0.000 1.047 299 V CA 0.273 62.584 62.300 0.018 0.000 0.955 299 V CB 1.243 33.081 31.823 0.024 0.000 0.988 299 V HN 0.759 nan 8.190 nan 0.000 0.471 300 V N 1.503 121.414 119.914 -0.005 0.000 3.578 300 V HA 0.532 4.652 4.120 -0.001 0.000 0.290 300 V C 0.649 176.736 176.094 -0.012 0.000 1.376 300 V CA 0.747 63.042 62.300 -0.007 0.000 1.083 300 V CB -0.325 31.486 31.823 -0.020 0.000 0.911 300 V HN 1.192 nan 8.190 nan 0.000 0.433 301 S N -0.536 115.156 115.700 -0.013 0.000 2.570 301 S HA 0.641 5.111 4.470 -0.001 0.000 0.286 301 S C -0.260 174.335 174.600 -0.008 0.000 1.143 301 S CA 0.744 58.937 58.200 -0.012 0.000 0.921 301 S CB 0.885 64.071 63.200 -0.024 0.000 1.108 301 S HN 2.278 nan 8.310 nan 0.000 0.456 302 G N 3.489 112.290 108.800 0.001 0.000 2.582 302 G HA2 0.137 4.097 3.960 -0.001 0.000 0.222 302 G HA3 0.137 4.097 3.960 -0.001 0.000 0.222 302 G C -1.131 173.782 174.900 0.022 0.000 1.311 302 G CA 0.001 45.105 45.100 0.007 0.000 0.915 302 G HN 1.481 nan 8.290 nan 0.000 0.528 303 K N -1.122 119.296 120.400 0.031 0.000 2.568 303 K HA 0.849 5.168 4.320 -0.001 0.000 0.273 303 K C 0.060 176.697 176.600 0.061 0.000 0.951 303 K CA -0.338 55.981 56.287 0.054 0.000 0.854 303 K CB 1.825 34.363 32.500 0.063 0.000 1.424 303 K HN 2.352 nan 8.250 nan 0.000 0.427 304 G N 0.289 109.139 108.800 0.083 0.000 2.450 304 G HA2 0.509 4.469 3.960 -0.001 0.000 0.273 304 G HA3 0.509 4.469 3.960 -0.001 0.000 0.273 304 G C -1.621 173.308 174.900 0.049 0.000 1.221 304 G CA -0.221 44.922 45.100 0.071 0.000 0.900 304 G HN 0.771 nan 8.290 nan 0.000 0.483 305 V N -0.762 119.131 119.914 -0.035 0.000 3.007 305 V HA 0.763 4.883 4.120 -0.001 0.000 0.311 305 V C -0.695 175.343 176.094 -0.094 0.000 1.120 305 V CA -0.849 61.348 62.300 -0.172 0.000 0.980 305 V CB 1.972 33.550 31.823 -0.408 0.000 1.033 305 V HN 0.731 nan 8.190 nan 0.000 0.429 306 I N 2.608 123.128 120.570 -0.083 0.000 2.411 306 I HA 0.543 4.713 4.170 -0.001 0.000 0.284 306 I C -0.054 175.925 176.117 -0.232 0.000 1.012 306 I CA -0.395 60.839 61.300 -0.110 0.000 1.119 306 I CB 1.486 39.470 38.000 -0.027 0.000 1.261 306 I HN 0.562 nan 8.210 nan 0.000 0.448 307 R N 5.661 125.979 120.500 -0.304 0.000 2.532 307 R HA 0.716 5.055 4.340 -0.001 0.000 0.295 307 R C -1.394 174.674 176.300 -0.386 0.000 0.968 307 R CA -0.650 55.317 56.100 -0.221 0.000 0.916 307 R CB 1.835 32.078 30.300 -0.095 0.000 1.124 307 R HN 0.302 nan 8.270 nan 0.000 0.463 308 F N 0.552 120.583 119.950 0.135 0.000 2.577 308 F HA 0.567 5.093 4.527 -0.001 0.000 0.318 308 F C 0.241 176.166 175.800 0.209 0.000 1.065 308 F CA -0.888 57.214 58.000 0.171 0.000 0.929 308 F CB 2.075 41.120 39.000 0.076 0.000 1.237 308 F HN 0.204 nan 8.300 nan 0.000 0.468 309 R N 1.346 122.142 120.500 0.493 0.000 2.658 309 R HA 0.166 4.505 4.340 -0.001 0.000 0.287 309 R C -1.518 174.953 176.300 0.285 0.000 1.209 309 R CA -0.734 55.569 56.100 0.339 0.000 1.046 309 R CB 1.057 31.454 30.300 0.162 0.000 1.247 309 R HN 0.963 nan 8.270 nan 0.000 0.405 310 H N 2.544 121.653 119.070 0.064 0.000 3.001 310 H HA -0.011 4.544 4.556 -0.001 0.000 0.334 310 H C 1.247 176.382 175.328 -0.322 0.000 1.034 310 H CA 0.210 55.980 56.048 -0.463 0.000 1.420 310 H CB 1.156 30.605 29.762 -0.523 0.000 1.405 310 H HN 0.375 nan 8.280 nan 0.000 0.593 311 V N 3.369 123.146 119.914 -0.227 0.000 2.282 311 V HA -0.339 3.780 4.120 -0.001 0.000 0.249 311 V C 1.139 177.150 176.094 -0.138 0.000 1.057 311 V CA 2.106 64.216 62.300 -0.318 0.000 1.032 311 V CB -0.348 31.019 31.823 -0.761 0.000 0.645 311 V HN 0.824 nan 8.190 nan 0.000 0.447 312 N N 0.869 119.553 118.700 -0.027 0.000 2.623 312 N HA 0.163 4.902 4.740 -0.001 0.000 0.263 312 N C -0.271 175.122 175.510 -0.195 0.000 1.218 312 N CA 0.292 53.249 53.050 -0.154 0.000 0.949 312 N CB 0.075 38.435 38.487 -0.211 0.000 1.270 312 N HN 0.564 nan 8.380 nan 0.000 0.507 313 D N -0.538 119.792 120.400 -0.118 0.000 2.665 313 D HA 0.133 4.772 4.640 -0.001 0.000 0.287 313 D C -0.610 175.672 176.300 -0.029 0.000 1.266 313 D CA -0.308 53.639 54.000 -0.090 0.000 0.830 313 D CB 1.416 42.153 40.800 -0.106 0.000 1.356 313 D HN -0.082 nan 8.370 nan 0.000 0.437 314 D N -0.783 119.610 120.400 -0.011 0.000 2.455 314 D HA 0.049 4.689 4.640 -0.001 0.000 0.228 314 D C 0.335 176.655 176.300 0.035 0.000 1.070 314 D CA -0.166 53.840 54.000 0.009 0.000 0.881 314 D CB 0.698 41.499 40.800 0.002 0.000 1.087 314 D HN 0.286 nan 8.370 nan 0.000 0.498 315 E N 1.646 121.872 120.200 0.044 0.000 2.417 315 E HA 0.045 4.395 4.350 -0.001 0.000 0.261 315 E C -0.567 176.097 176.600 0.107 0.000 1.000 315 E CA 0.030 56.471 56.400 0.068 0.000 0.919 315 E CB 0.474 30.216 29.700 0.069 0.000 0.955 315 E HN 0.173 nan 8.360 nan 0.000 0.455 316 I N 6.364 126.993 120.570 0.098 0.000 2.336 316 I HA 0.254 4.423 4.170 -0.001 0.000 0.292 316 I C -0.080 176.117 176.117 0.133 0.000 0.991 316 I CA -0.677 60.695 61.300 0.120 0.000 1.227 316 I CB 1.069 39.118 38.000 0.082 0.000 1.366 316 I HN 0.478 nan 8.210 nan 0.000 0.466 317 I N 6.431 127.121 120.570 0.200 0.000 2.377 317 I HA 0.346 4.516 4.170 -0.001 0.000 0.293 317 I C -0.149 176.100 176.117 0.221 0.000 0.987 317 I CA -0.521 60.898 61.300 0.199 0.000 1.185 317 I CB 1.279 39.444 38.000 0.275 0.000 1.341 317 I HN 0.530 nan 8.210 nan 0.000 0.455 318 E N 5.267 125.510 120.200 0.072 0.000 2.212 318 E HA 0.437 4.786 4.350 -0.001 0.000 0.268 318 E C -1.668 174.853 176.600 -0.132 0.000 0.902 318 E CA -0.776 55.615 56.400 -0.015 0.000 0.779 318 E CB 2.486 32.110 29.700 -0.127 0.000 1.172 318 E HN 0.420 nan 8.360 nan 0.000 0.409 319 Y N 1.441 121.674 120.300 -0.111 0.000 2.426 319 Y HA 0.235 4.785 4.550 -0.001 0.000 0.325 319 Y C -0.907 174.906 175.900 -0.146 0.000 0.989 319 Y CA -0.810 57.279 58.100 -0.018 0.000 1.284 319 Y CB 0.748 39.277 38.460 0.116 0.000 1.104 319 Y HN 0.491 nan 8.280 nan 0.000 0.481 320 Y N 2.444 122.824 120.300 0.132 0.000 2.402 320 Y HA 0.449 4.999 4.550 -0.001 0.000 0.333 320 Y C 0.127 176.096 175.900 0.115 0.000 1.076 320 Y CA -0.146 58.013 58.100 0.099 0.000 1.299 320 Y CB 1.056 39.546 38.460 0.050 0.000 1.197 320 Y HN 0.342 nan 8.280 nan 0.000 0.517 321 V N 2.878 122.912 119.914 0.201 0.000 3.178 321 V HA 0.822 4.941 4.120 -0.001 0.000 0.302 321 V C -1.093 175.071 176.094 0.117 0.000 1.262 321 V CA -0.195 62.199 62.300 0.157 0.000 1.030 321 V CB 2.496 34.409 31.823 0.149 0.000 1.074 321 V HN 0.861 nan 8.190 nan 0.000 0.438 322 S N 2.356 118.111 115.700 0.092 0.000 2.643 322 S HA 0.567 5.036 4.470 -0.001 0.000 0.270 322 S C 0.723 175.352 174.600 0.048 0.000 1.166 322 S CA 0.021 58.260 58.200 0.064 0.000 0.815 322 S CB 1.048 64.285 63.200 0.061 0.000 1.139 322 S HN 1.801 nan 8.310 nan 0.000 0.472 323 G N 0.319 109.138 108.800 0.032 0.000 2.559 323 G HA2 -0.017 3.942 3.960 -0.001 0.000 0.216 323 G HA3 -0.017 3.942 3.960 -0.001 0.000 0.216 323 G C 0.598 175.510 174.900 0.021 0.000 1.126 323 G CA 0.826 45.939 45.100 0.021 0.000 0.778 323 G HN 0.748 nan 8.290 nan 0.000 0.543 324 D N 0.034 120.449 120.400 0.025 0.000 2.097 324 D HA -0.024 4.616 4.640 -0.001 0.000 0.197 324 D C 1.185 177.500 176.300 0.025 0.000 0.984 324 D CA 0.999 55.012 54.000 0.022 0.000 0.826 324 D CB 0.184 40.998 40.800 0.023 0.000 0.973 324 D HN 0.297 nan 8.370 nan 0.000 0.460 325 K N 0.962 121.382 120.400 0.034 0.000 2.425 325 K HA 0.197 4.517 4.320 -0.001 0.000 0.259 325 K C -1.109 175.516 176.600 0.042 0.000 0.978 325 K CA -0.679 55.629 56.287 0.036 0.000 0.883 325 K CB 0.986 33.511 32.500 0.043 0.000 1.110 325 K HN -0.188 nan 8.250 nan 0.000 0.436 326 L N 5.675 126.918 121.223 0.034 0.000 2.407 326 L HA 0.139 4.478 4.340 -0.001 0.000 0.282 326 L C -0.031 176.863 176.870 0.040 0.000 1.110 326 L CA 0.619 55.480 54.840 0.035 0.000 0.863 326 L CB 0.131 42.205 42.059 0.024 0.000 1.207 326 L HN 0.632 nan 8.230 nan 0.000 0.454 327 E N 3.067 123.299 120.200 0.054 0.000 2.292 327 E HA 0.528 4.877 4.350 -0.001 0.000 0.272 327 E C -1.394 175.245 176.600 0.065 0.000 0.881 327 E CA -0.914 55.520 56.400 0.058 0.000 0.754 327 E CB 1.841 31.585 29.700 0.074 0.000 1.201 327 E HN 0.077 nan 8.360 nan 0.000 0.425 328 V N 2.444 122.386 119.914 0.046 0.000 2.649 328 V HA 0.225 4.344 4.120 -0.001 0.000 0.292 328 V C -0.185 175.922 176.094 0.021 0.000 1.055 328 V CA -0.583 61.746 62.300 0.048 0.000 1.023 328 V CB 1.452 33.287 31.823 0.020 0.000 0.992 328 V HN 0.581 nan 8.190 nan 0.000 0.480 329 V N 3.836 123.766 119.914 0.028 0.000 2.376 329 V HA 0.338 4.458 4.120 -0.001 0.000 0.287 329 V C -0.260 175.769 176.094 -0.109 0.000 1.015 329 V CA -0.841 61.413 62.300 -0.076 0.000 0.834 329 V CB 1.435 33.231 31.823 -0.045 0.000 1.001 329 V HN 0.813 nan 8.190 nan 0.000 0.428 330 D N 4.105 124.401 120.400 -0.173 0.000 2.372 330 D HA 0.261 4.900 4.640 -0.001 0.000 0.243 330 D C -0.175 175.978 176.300 -0.244 0.000 1.121 330 D CA 0.031 53.929 54.000 -0.169 0.000 0.898 330 D CB 1.620 42.323 40.800 -0.162 0.000 1.202 330 D HN 0.209 nan 8.370 nan 0.000 0.428 331 I N 3.670 124.105 120.570 -0.225 0.000 2.412 331 I HA 0.225 4.394 4.170 -0.001 0.000 0.279 331 I C -2.277 173.760 176.117 -0.134 0.000 1.063 331 I CA -2.285 58.884 61.300 -0.219 0.000 1.193 331 I CB 0.389 38.078 38.000 -0.519 0.000 1.370 331 I HN -0.122 nan 8.210 nan 0.000 0.479 332 P HA 0.098 nan 4.420 nan 0.000 0.271 332 P C 0.071 177.485 177.300 0.191 0.000 1.216 332 P CA -0.236 62.838 63.100 -0.043 0.000 0.776 332 P CB 0.696 32.278 31.700 -0.198 0.000 0.881 333 V N 0.135 120.175 119.914 0.209 0.000 2.872 333 V HA 0.392 4.512 4.120 -0.001 0.000 0.307 333 V C 1.433 177.676 176.094 0.249 0.000 1.072 333 V CA 0.504 62.974 62.300 0.283 0.000 1.148 333 V CB -0.562 31.407 31.823 0.244 0.000 0.954 333 V HN 0.971 nan 8.190 nan 0.000 0.490 334 G N 2.052 110.997 108.800 0.241 0.000 2.176 334 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.253 334 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.253 334 G C -0.340 174.323 174.900 -0.395 0.000 0.979 334 G CA 0.440 45.444 45.100 -0.161 0.000 0.641 334 G HN 1.083 nan 8.290 nan 0.000 0.530 335 Y N 1.931 122.238 120.300 0.013 0.000 2.335 335 Y HA 0.559 5.109 4.550 -0.001 0.000 0.338 335 Y C 1.130 177.219 175.900 0.314 0.000 0.977 335 Y CA -0.177 57.981 58.100 0.098 0.000 1.114 335 Y CB 1.546 40.135 38.460 0.213 0.000 1.182 335 Y HN 0.236 nan 8.280 nan 0.000 0.463 336 T N 1.650 116.384 114.554 0.299 0.000 2.898 336 T HA 0.397 4.746 4.350 -0.001 0.000 0.301 336 T C -0.515 174.315 174.700 0.216 0.000 1.049 336 T CA -0.517 61.707 62.100 0.208 0.000 1.095 336 T CB 0.525 69.428 68.868 0.059 0.000 0.976 336 T HN 0.759 nan 8.240 nan 0.000 0.539 337 H N -0.210 118.884 119.070 0.039 0.000 3.037 337 H HA 0.606 5.161 4.556 -0.001 0.000 0.355 337 H C -1.094 174.131 175.328 -0.171 0.000 1.263 337 H CA -1.173 54.789 56.048 -0.144 0.000 1.129 337 H CB 1.541 31.152 29.762 -0.252 0.000 1.861 337 H HN 0.948 nan 8.280 nan 0.000 0.546 338 N N 0.888 119.517 118.700 -0.119 0.000 2.591 338 N HA 0.514 5.253 4.740 -0.001 0.000 0.263 338 N C -1.681 173.808 175.510 -0.036 0.000 1.308 338 N CA -0.902 52.086 53.050 -0.102 0.000 0.837 338 N CB 3.369 41.775 38.487 -0.136 0.000 1.548 338 N HN 0.582 nan 8.380 nan 0.000 0.493 339 I N -0.112 120.458 120.570 -0.001 0.000 2.582 339 I HA 0.410 4.580 4.170 -0.001 0.000 0.292 339 I C -1.428 174.675 176.117 -0.024 0.000 1.066 339 I CA -0.455 60.848 61.300 0.005 0.000 1.053 339 I CB 2.174 40.200 38.000 0.042 0.000 1.241 339 I HN 0.815 nan 8.210 nan 0.000 0.421 340 E N 5.805 125.991 120.200 -0.024 0.000 2.272 340 E HA 0.290 4.639 4.350 -0.001 0.000 0.269 340 E C -1.410 175.190 176.600 -0.000 0.000 0.877 340 E CA -0.864 55.528 56.400 -0.014 0.000 0.755 340 E CB 1.464 31.159 29.700 -0.010 0.000 1.192 340 E HN 0.592 nan 8.360 nan 0.000 0.422 341 N N 4.461 123.162 118.700 0.002 0.000 2.411 341 N HA 0.083 4.823 4.740 -0.001 0.000 0.259 341 N C -0.199 175.327 175.510 0.025 0.000 1.103 341 N CA -0.060 52.996 53.050 0.010 0.000 0.954 341 N CB 0.919 39.407 38.487 0.002 0.000 1.085 341 N HN 0.512 nan 8.380 nan 0.000 0.485 342 L N 2.506 123.755 121.223 0.042 0.000 2.616 342 L HA 0.405 4.744 4.340 -0.001 0.000 0.229 342 L C 1.341 178.238 176.870 0.044 0.000 1.110 342 L CA 0.102 54.977 54.840 0.057 0.000 0.884 342 L CB -0.405 41.715 42.059 0.102 0.000 1.115 342 L HN 0.573 nan 8.230 nan 0.000 0.481 343 G N -1.533 107.286 108.800 0.033 0.000 2.568 343 G HA2 0.248 4.208 3.960 -0.001 0.000 0.293 343 G HA3 0.248 4.208 3.960 -0.001 0.000 0.293 343 G C -0.323 174.586 174.900 0.015 0.000 1.347 343 G CA -0.219 44.895 45.100 0.024 0.000 1.039 343 G HN 0.092 nan 8.290 nan 0.000 0.523 344 D N -1.306 119.101 120.400 0.010 0.000 2.398 344 D HA 0.174 4.814 4.640 -0.001 0.000 0.210 344 D C 1.097 177.398 176.300 0.002 0.000 1.094 344 D CA 0.301 54.305 54.000 0.006 0.000 0.839 344 D CB 0.601 41.404 40.800 0.005 0.000 0.963 344 D HN 0.460 nan 8.370 nan 0.000 0.506 345 T N -2.116 112.439 114.554 0.001 0.000 2.940 345 T HA 0.372 4.722 4.350 -0.001 0.000 0.288 345 T C -0.044 174.652 174.700 -0.006 0.000 1.033 345 T CA -1.062 61.036 62.100 -0.004 0.000 1.033 345 T CB 1.810 70.676 68.868 -0.004 0.000 1.079 345 T HN -0.283 nan 8.240 nan 0.000 0.496 346 D N 1.509 121.902 120.400 -0.011 0.000 2.506 346 D HA 0.084 4.723 4.640 -0.001 0.000 0.234 346 D C -0.213 176.076 176.300 -0.018 0.000 1.143 346 D CA 0.435 54.426 54.000 -0.016 0.000 0.871 346 D CB 0.414 41.201 40.800 -0.022 0.000 1.190 346 D HN 0.592 nan 8.370 nan 0.000 0.459 347 M N 2.518 122.105 119.600 -0.021 0.000 2.238 347 M HA 0.310 4.789 4.480 -0.001 0.000 0.350 347 M C -1.195 175.079 176.300 -0.043 0.000 1.138 347 M CA -0.781 54.504 55.300 -0.025 0.000 1.040 347 M CB 1.485 34.074 32.600 -0.020 0.000 1.639 347 M HN 0.127 nan 8.290 nan 0.000 0.451 348 V N 5.702 125.586 119.914 -0.049 0.000 2.409 348 V HA 0.631 4.751 4.120 -0.001 0.000 0.291 348 V C -0.956 175.092 176.094 -0.077 0.000 1.020 348 V CA 0.051 62.309 62.300 -0.071 0.000 0.848 348 V CB 1.906 33.685 31.823 -0.073 0.000 0.990 348 V HN 0.941 nan 8.190 nan 0.000 0.430 349 T N 8.465 122.952 114.554 -0.111 0.000 2.792 349 T HA 0.565 4.914 4.350 -0.001 0.000 0.280 349 T C -0.367 174.256 174.700 -0.128 0.000 0.990 349 T CA -0.355 61.669 62.100 -0.127 0.000 0.960 349 T CB 1.115 69.845 68.868 -0.230 0.000 0.939 349 T HN 0.527 nan 8.240 nan 0.000 0.439 350 I N 3.851 124.388 120.570 -0.056 0.000 2.441 350 I HA 0.334 4.504 4.170 -0.001 0.000 0.287 350 I C 0.234 176.383 176.117 0.055 0.000 1.049 350 I CA -0.345 60.947 61.300 -0.014 0.000 1.381 350 I CB 0.499 38.520 38.000 0.035 0.000 1.409 350 I HN 0.606 nan 8.210 nan 0.000 0.523 351 M N 6.300 125.945 119.600 0.074 0.000 2.190 351 M HA 0.235 4.715 4.480 -0.001 0.000 0.312 351 M C -1.104 175.364 176.300 0.281 0.000 0.990 351 M CA -0.498 54.936 55.300 0.224 0.000 0.927 351 M CB 2.261 34.966 32.600 0.175 0.000 1.571 351 M HN 0.587 nan 8.290 nan 0.000 0.427 352 W N 4.801 126.207 121.300 0.177 0.000 2.469 352 W HA 0.686 5.345 4.660 -0.001 0.000 0.320 352 W C -1.935 174.658 176.519 0.123 0.000 1.086 352 W CA -0.650 56.767 57.345 0.120 0.000 1.211 352 W CB 0.960 30.470 29.460 0.083 0.000 1.298 352 W HN 0.395 nan 8.180 nan 0.000 0.525 353 V N 7.762 127.124 119.914 -0.920 0.000 2.735 353 V HA 0.279 4.398 4.120 -0.001 0.000 0.310 353 V C 0.586 175.777 176.094 -1.505 0.000 1.061 353 V CA -0.774 60.996 62.300 -0.882 0.000 0.913 353 V CB 2.037 33.649 31.823 -0.352 0.000 1.005 353 V HN 0.739 nan 8.190 nan 0.000 0.428 354 N N 4.054 122.090 118.700 -1.106 0.000 2.571 354 N HA -0.014 4.726 4.740 -0.001 0.000 0.189 354 N C 0.031 175.346 175.510 -0.324 0.000 1.154 354 N CA 0.792 53.422 53.050 -0.699 0.000 0.907 354 N CB 0.191 38.557 38.487 -0.201 0.000 0.977 354 N HN 0.917 nan 8.380 nan 0.000 0.449 355 E N -0.939 119.076 120.200 -0.309 0.000 2.416 355 E HA 0.242 4.592 4.350 -0.001 0.000 0.280 355 E C -1.224 175.305 176.600 -0.119 0.000 1.055 355 E CA -0.857 55.446 56.400 -0.161 0.000 0.825 355 E CB 0.783 30.416 29.700 -0.111 0.000 1.312 355 E HN -0.122 nan 8.360 nan 0.000 0.452 356 M N 1.554 121.117 119.600 -0.061 0.000 2.245 356 M HA 0.223 4.703 4.480 -0.001 0.000 0.330 356 M C -0.233 176.091 176.300 0.040 0.000 1.098 356 M CA -0.265 55.033 55.300 -0.004 0.000 1.172 356 M CB 0.352 32.949 32.600 -0.004 0.000 1.467 356 M HN 0.497 nan 8.290 nan 0.000 0.454 357 F N 2.310 122.219 119.950 -0.069 0.000 2.438 357 F HA 0.147 4.673 4.527 -0.001 0.000 0.356 357 F C -0.162 175.601 175.800 -0.062 0.000 1.099 357 F CA -0.196 57.758 58.000 -0.076 0.000 1.185 357 F CB 0.414 39.379 39.000 -0.059 0.000 1.115 357 F HN 0.413 nan 8.300 nan 0.000 0.526 358 D N 8.488 128.500 120.400 -0.646 0.000 2.421 358 D HA 0.328 4.968 4.640 -0.001 0.000 0.254 358 D C -2.201 173.682 176.300 -0.695 0.000 1.238 358 D CA -2.362 51.322 54.000 -0.526 0.000 0.919 358 D CB 2.019 42.660 40.800 -0.265 0.000 1.152 358 D HN 0.180 nan 8.370 nan 0.000 0.552 359 P HA -0.029 nan 4.420 nan 0.000 0.221 359 P C 0.536 177.679 177.300 -0.262 0.000 1.145 359 P CA 0.967 63.776 63.100 -0.484 0.000 0.795 359 P CB 0.405 31.939 31.700 -0.276 0.000 0.775 360 N N -1.213 117.360 118.700 -0.212 0.000 2.132 360 N HA -0.077 4.663 4.740 -0.001 0.000 0.187 360 N C 0.619 176.057 175.510 -0.120 0.000 1.038 360 N CA 0.728 53.700 53.050 -0.130 0.000 0.846 360 N CB -0.189 38.238 38.487 -0.100 0.000 1.012 360 N HN -0.006 nan 8.380 nan 0.000 0.429 361 Q N 0.881 120.597 119.800 -0.140 0.000 3.035 361 Q HA 0.269 4.609 4.340 -0.001 0.000 0.354 361 Q C -2.404 173.503 176.000 -0.156 0.000 1.247 361 Q CA -1.680 54.060 55.803 -0.105 0.000 1.068 361 Q CB 0.710 29.399 28.738 -0.081 0.000 1.424 361 Q HN 0.365 nan 8.270 nan 0.000 0.486 362 P HA 0.085 nan 4.420 nan 0.000 0.274 362 P C -0.423 176.744 177.300 -0.222 0.000 1.237 362 P CA -0.113 62.827 63.100 -0.267 0.000 0.793 362 P CB 1.201 32.736 31.700 -0.275 0.000 0.977 363 D N 0.230 120.463 120.400 -0.277 0.000 2.957 363 D HA 0.172 4.812 4.640 -0.001 0.000 0.352 363 D C -0.795 175.137 176.300 -0.614 0.000 1.352 363 D CA -0.315 53.488 54.000 -0.329 0.000 0.831 363 D CB -0.388 40.362 40.800 -0.083 0.000 1.147 363 D HN 0.336 nan 8.370 nan 0.000 0.467 364 T N -1.428 112.534 114.554 -0.986 0.000 2.881 364 T HA 0.620 4.970 4.350 -0.001 0.000 0.290 364 T C -1.130 172.776 174.700 -1.323 0.000 1.000 364 T CA -0.672 60.807 62.100 -1.035 0.000 0.978 364 T CB 0.979 69.519 68.868 -0.547 0.000 0.997 364 T HN -0.044 nan 8.240 nan 0.000 0.443 365 Y N 2.181 122.072 120.300 -0.681 0.000 2.373 365 Y HA 0.562 5.111 4.550 -0.001 0.000 0.336 365 Y C -0.198 175.534 175.900 -0.280 0.000 0.979 365 Y CA -2.172 55.593 58.100 -0.558 0.000 1.080 365 Y CB 1.157 39.011 38.460 -1.009 0.000 1.190 365 Y HN 0.821 nan 8.280 nan 0.000 0.446 366 F N 5.026 124.974 119.950 -0.003 0.000 2.572 366 F HA 0.423 4.950 4.527 -0.001 0.000 0.370 366 F C -0.674 175.207 175.800 0.136 0.000 1.103 366 F CA -0.026 58.011 58.000 0.061 0.000 1.286 366 F CB 0.354 39.381 39.000 0.045 0.000 1.105 366 F HN 0.436 nan 8.300 nan 0.000 0.583 367 L N 6.150 126.836 121.223 -0.895 0.000 2.973 367 L HA 0.224 4.564 4.340 -0.001 0.000 0.254 367 L C -0.751 175.752 176.870 -0.612 0.000 0.947 367 L CA -0.338 54.207 54.840 -0.491 0.000 1.064 367 L CB 0.577 42.669 42.059 0.053 0.000 1.534 367 L HN 0.611 nan 8.230 nan 0.000 0.504 368 E N 2.073 121.914 120.200 -0.598 0.000 2.468 368 E HA 0.380 4.730 4.350 -0.001 0.000 0.263 368 E C 0.200 176.707 176.600 -0.155 0.000 1.192 368 E CA 0.950 57.167 56.400 -0.306 0.000 1.016 368 E CB 0.775 30.436 29.700 -0.065 0.000 0.980 368 E HN 0.642 nan 8.360 nan 0.000 0.467 369 V N 0.000 119.859 119.914 -0.091 0.000 2.409 369 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 369 V CA 0.000 62.274 62.300 -0.044 0.000 1.235 369 V CB 0.000 31.814 31.823 -0.016 0.000 1.184 369 V HN 0.000 nan 8.190 nan 0.000 0.556