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 3f8t_1_A DATA FIRST_RESID 18 DATA SEQUENCE RIGEVASRFG LPTRVLIEIV RTESFQRSLA RVTSGKPVVL DLRELDSDLA DATA SEQUENCE SWIATHARLV EPALRELVRT VAPDVEPRVR FRGLPHRFRR VERIRPMDGA DATA SEQUENCE LISIEGVVRE VRGAERLEHA IVDTGSELVA VRLHGHRLGP GLRVEILGIV DATA SEQUENCE RSATLDALEV HKKDPIPEVH PDPAELEEFR ELADKDPLTT FARAIAPLPG DATA SEQUENCE AEEVGKMLAL QLFSCVGKNS ERLHVLLAGY PVVCSEILHH VLDHLAPRGV DATA SEQUENCE YVDLRRTELT DLTAVLKEDR GWALRAGAAV LADGGILAVD HLEGAPEPHR DATA SEQUENCE WALMEAMDKG TVTVDGIALN ARCAVLAAIN PGEXXPSDPP IARIDLDQDF DATA SEQUENCE LSHFDLIAFL GVXXXXXXXX XXXXXXPSYT LLRRYLLYAI REHPAPELTE DATA SEQUENCE EARKRLEHWY ETRREEVEER LGMGLPTLPV TRRQLESVER LAKAHARMRL DATA SEQUENCE SDDVEPEDVD IAAELVDWYL ETAMQ 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 18 R HA 0.000 nan 4.340 nan 0.000 0.208 18 R C 0.000 176.317 176.300 0.028 0.000 0.893 18 R CA 0.000 56.115 56.100 0.025 0.000 0.921 18 R CB 0.000 30.312 30.300 0.021 0.000 0.687 19 I N 2.222 122.801 120.570 0.015 0.000 2.202 19 I HA -0.051 4.118 4.170 -0.001 0.000 0.242 19 I C 2.011 178.137 176.117 0.016 0.000 1.091 19 I CA 2.072 63.376 61.300 0.007 0.000 1.368 19 I CB -1.185 36.802 38.000 -0.021 0.000 1.058 19 I HN 0.859 nan 8.210 nan 0.000 0.410 20 G N 0.825 109.630 108.800 0.009 0.000 2.469 20 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.219 20 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.219 20 G C 1.601 176.519 174.900 0.030 0.000 1.150 20 G CA 0.829 45.935 45.100 0.011 0.000 0.763 20 G HN 0.444 nan 8.290 nan 0.000 0.561 21 E N -0.269 119.952 120.200 0.035 0.000 2.077 21 E HA -0.083 4.266 4.350 -0.001 0.000 0.193 21 E C 2.773 179.422 176.600 0.083 0.000 0.989 21 E CA 1.057 57.484 56.400 0.045 0.000 0.800 21 E CB -0.128 29.594 29.700 0.037 0.000 0.746 21 E HN 0.308 nan 8.360 nan 0.000 0.452 22 V N 1.342 121.323 119.914 0.111 0.000 2.295 22 V HA -0.295 3.824 4.120 -0.001 0.000 0.246 22 V C 2.327 178.584 176.094 0.271 0.000 1.049 22 V CA 1.844 64.272 62.300 0.214 0.000 1.024 22 V CB -0.874 31.044 31.823 0.158 0.000 0.648 22 V HN 0.343 nan 8.190 nan 0.000 0.447 23 A N -0.389 122.520 122.820 0.147 0.000 1.892 23 A HA -0.291 4.029 4.320 -0.001 0.000 0.218 23 A C 2.583 180.252 177.584 0.142 0.000 1.188 23 A CA 2.546 54.662 52.037 0.132 0.000 0.631 23 A CB -1.000 18.030 19.000 0.050 0.000 0.822 23 A HN 0.491 nan 8.150 nan 0.000 0.447 24 S N -0.846 114.908 115.700 0.089 0.000 2.359 24 S HA -0.241 4.228 4.470 -0.001 0.000 0.224 24 S C 2.200 176.824 174.600 0.040 0.000 1.035 24 S CA 1.789 60.021 58.200 0.054 0.000 1.018 24 S CB -0.378 62.839 63.200 0.028 0.000 0.876 24 S HN 0.594 nan 8.310 nan 0.000 0.448 25 R N -0.900 119.619 120.500 0.031 0.000 2.105 25 R HA -0.038 4.301 4.340 -0.001 0.000 0.239 25 R C 1.048 177.187 176.300 -0.268 0.000 1.135 25 R CA 1.885 57.913 56.100 -0.121 0.000 0.967 25 R CB -0.286 29.929 30.300 -0.142 0.000 0.861 25 R HN 0.514 nan 8.270 nan 0.000 0.442 26 F N -0.897 119.074 119.950 0.037 0.000 2.653 26 F HA 0.331 4.857 4.527 -0.002 0.000 0.304 26 F C 1.183 177.020 175.800 0.062 0.000 1.092 26 F CA 0.358 58.387 58.000 0.049 0.000 1.279 26 F CB 1.279 40.312 39.000 0.056 0.000 1.044 26 F HN 0.212 nan 8.300 nan 0.000 0.564 27 G N 1.585 110.484 108.800 0.164 0.000 2.221 27 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.265 27 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.265 27 G C -0.187 174.814 174.900 0.169 0.000 1.041 27 G CA -0.139 45.040 45.100 0.133 0.000 0.807 27 G HN 0.296 nan 8.290 nan 0.000 0.502 28 L N -0.031 121.293 121.223 0.169 0.000 2.325 28 L HA 0.478 4.817 4.340 -0.001 0.000 0.278 28 L C -1.922 174.967 176.870 0.031 0.000 1.023 28 L CA -2.505 52.422 54.840 0.146 0.000 0.811 28 L CB 1.802 43.956 42.059 0.158 0.000 1.249 28 L HN -0.141 nan 8.230 nan 0.000 0.431 29 P HA 0.033 nan 4.420 nan 0.000 0.264 29 P C 0.595 177.833 177.300 -0.103 0.000 1.193 29 P CA 0.029 63.054 63.100 -0.125 0.000 0.763 29 P CB 0.627 32.168 31.700 -0.265 0.000 0.810 30 T N 3.032 117.545 114.554 -0.069 0.000 2.699 30 T HA -0.236 4.113 4.350 -0.001 0.000 0.268 30 T C 1.686 176.335 174.700 -0.084 0.000 1.036 30 T CA 1.833 63.899 62.100 -0.057 0.000 1.147 30 T CB -0.388 68.456 68.868 -0.040 0.000 0.862 30 T HN 0.578 nan 8.240 nan 0.000 0.446 31 R N 1.132 121.566 120.500 -0.110 0.000 2.105 31 R HA -0.041 4.298 4.340 -0.001 0.000 0.239 31 R C 2.200 178.417 176.300 -0.139 0.000 1.135 31 R CA 1.209 57.237 56.100 -0.120 0.000 0.967 31 R CB -1.221 29.002 30.300 -0.128 0.000 0.861 31 R HN 0.229 nan 8.270 nan 0.000 0.442 32 V N 2.037 121.842 119.914 -0.182 0.000 2.252 32 V HA -0.261 3.858 4.120 -0.001 0.000 0.249 32 V C 2.553 178.583 176.094 -0.107 0.000 1.056 32 V CA 1.946 64.146 62.300 -0.167 0.000 1.022 32 V CB -0.494 31.204 31.823 -0.208 0.000 0.641 32 V HN 0.330 nan 8.190 nan 0.000 0.445 33 L N -1.036 120.128 121.223 -0.097 0.000 2.109 33 L HA -0.121 4.218 4.340 -0.001 0.000 0.207 33 L C 2.361 179.138 176.870 -0.154 0.000 1.086 33 L CA 1.515 56.283 54.840 -0.120 0.000 0.760 33 L CB -0.397 41.612 42.059 -0.084 0.000 0.910 33 L HN 0.304 nan 8.230 nan 0.000 0.437 34 I N -0.048 120.453 120.570 -0.115 0.000 2.163 34 I HA -0.316 3.853 4.170 -0.001 0.000 0.243 34 I C 2.371 178.419 176.117 -0.115 0.000 1.085 34 I CA 1.505 62.742 61.300 -0.104 0.000 1.347 34 I CB -0.274 37.681 38.000 -0.075 0.000 1.044 34 I HN 0.290 nan 8.210 nan 0.000 0.408 35 E N 0.751 120.887 120.200 -0.107 0.000 2.150 35 E HA -0.175 4.174 4.350 -0.001 0.000 0.193 35 E C 2.287 178.821 176.600 -0.111 0.000 0.985 35 E CA 1.072 57.418 56.400 -0.090 0.000 0.814 35 E CB -0.038 29.617 29.700 -0.075 0.000 0.752 35 E HN 0.500 nan 8.360 nan 0.000 0.466 36 I N 0.568 121.040 120.570 -0.163 0.000 2.142 36 I HA -0.255 3.914 4.170 -0.001 0.000 0.240 36 I C 2.259 178.119 176.117 -0.428 0.000 1.078 36 I CA 0.913 62.065 61.300 -0.247 0.000 1.343 36 I CB -0.161 37.666 38.000 -0.288 0.000 1.046 36 I HN -0.009 nan 8.210 nan 0.000 0.405 37 V N 0.659 120.263 119.914 -0.517 0.000 2.759 37 V HA -0.198 3.921 4.120 -0.001 0.000 0.256 37 V C 2.353 178.380 176.094 -0.112 0.000 1.080 37 V CA 1.526 63.517 62.300 -0.514 0.000 1.101 37 V CB -0.804 30.814 31.823 -0.342 0.000 0.698 37 V HN 0.359 nan 8.190 nan 0.000 0.477 38 R N 0.426 120.872 120.500 -0.090 0.000 2.235 38 R HA -0.020 4.319 4.340 -0.001 0.000 0.213 38 R C 1.177 177.486 176.300 0.016 0.000 1.059 38 R CA 0.805 56.893 56.100 -0.020 0.000 0.997 38 R CB -0.331 29.951 30.300 -0.030 0.000 0.884 38 R HN 0.693 nan 8.270 nan 0.000 0.462 39 T N -1.633 112.934 114.554 0.022 0.000 2.926 39 T HA -0.003 4.347 4.350 -0.001 0.000 0.307 39 T C 1.048 175.803 174.700 0.092 0.000 1.059 39 T CA -0.458 61.676 62.100 0.056 0.000 1.122 39 T CB 1.719 70.626 68.868 0.066 0.000 0.972 39 T HN 0.114 nan 8.240 nan 0.000 0.545 40 E N 1.134 121.372 120.200 0.064 0.000 2.051 40 E HA -0.188 4.162 4.350 -0.001 0.000 0.192 40 E C 2.386 179.021 176.600 0.060 0.000 0.991 40 E CA 1.541 57.973 56.400 0.054 0.000 0.799 40 E CB -0.213 29.507 29.700 0.033 0.000 0.748 40 E HN 0.910 nan 8.360 nan 0.000 0.449 41 S N 0.419 116.158 115.700 0.066 0.000 2.365 41 S HA -0.239 4.230 4.470 -0.001 0.000 0.225 41 S C 1.924 176.555 174.600 0.052 0.000 1.039 41 S CA 1.384 59.615 58.200 0.051 0.000 1.033 41 S CB -0.879 62.357 63.200 0.060 0.000 0.887 41 S HN 0.369 nan 8.310 nan 0.000 0.447 42 F N 2.437 122.366 119.950 -0.034 0.000 2.084 42 F HA -0.032 4.494 4.527 -0.002 0.000 0.296 42 F C 2.920 178.697 175.800 -0.037 0.000 1.111 42 F CA 1.700 59.673 58.000 -0.046 0.000 1.224 42 F CB -0.383 38.591 39.000 -0.043 0.000 0.991 42 F HN 0.097 nan 8.300 nan 0.000 0.471 43 Q N 0.333 120.242 119.800 0.183 0.000 2.096 43 Q HA -0.179 4.160 4.340 -0.001 0.000 0.204 43 Q C 2.317 178.301 176.000 -0.026 0.000 0.982 43 Q CA 1.315 57.171 55.803 0.087 0.000 0.850 43 Q CB -0.437 28.359 28.738 0.096 0.000 0.901 43 Q HN 0.322 nan 8.270 nan 0.000 0.422 44 R N 0.391 120.874 120.500 -0.028 0.000 2.066 44 R HA -0.054 4.285 4.340 -0.001 0.000 0.232 44 R C 2.411 178.657 176.300 -0.090 0.000 1.131 44 R CA 1.599 57.672 56.100 -0.045 0.000 0.955 44 R CB -1.288 28.997 30.300 -0.026 0.000 0.851 44 R HN 0.411 nan 8.270 nan 0.000 0.432 45 S N 0.852 116.469 115.700 -0.137 0.000 2.383 45 S HA -0.080 4.389 4.470 -0.001 0.000 0.227 45 S C 2.012 176.468 174.600 -0.241 0.000 1.026 45 S CA 0.743 58.834 58.200 -0.181 0.000 0.981 45 S CB -0.446 62.631 63.200 -0.205 0.000 0.818 45 S HN 0.137 nan 8.310 nan 0.000 0.472 46 L N 2.190 123.208 121.223 -0.342 0.000 2.083 46 L HA 0.155 4.494 4.340 -0.001 0.000 0.209 46 L C 2.668 179.440 176.870 -0.164 0.000 1.083 46 L CA 1.584 56.228 54.840 -0.327 0.000 0.752 46 L CB -1.216 40.617 42.059 -0.377 0.000 0.899 46 L HN 0.413 nan 8.230 nan 0.000 0.433 47 A N -1.286 121.464 122.820 -0.117 0.000 2.067 47 A HA -0.090 4.229 4.320 -0.001 0.000 0.219 47 A C 2.043 179.587 177.584 -0.067 0.000 1.158 47 A CA 0.915 52.910 52.037 -0.070 0.000 0.661 47 A CB -0.350 18.622 19.000 -0.047 0.000 0.801 47 A HN 0.381 nan 8.150 nan 0.000 0.452 48 R N 0.089 120.540 120.500 -0.083 0.000 2.427 48 R HA 0.084 4.423 4.340 -0.001 0.000 0.262 48 R C 1.541 177.797 176.300 -0.073 0.000 0.943 48 R CA 0.855 56.914 56.100 -0.068 0.000 1.081 48 R CB -0.148 30.113 30.300 -0.066 0.000 1.166 48 R HN 0.552 nan 8.270 nan 0.000 0.534 49 V N -1.626 118.236 119.914 -0.086 0.000 2.626 49 V HA -0.149 3.970 4.120 -0.001 0.000 0.252 49 V C 2.333 178.391 176.094 -0.060 0.000 1.067 49 V CA 2.007 64.255 62.300 -0.086 0.000 1.081 49 V CB -1.142 30.620 31.823 -0.100 0.000 0.686 49 V HN 0.197 nan 8.190 nan 0.000 0.468 50 T N 0.189 114.714 114.554 -0.049 0.000 2.821 50 T HA -0.191 4.158 4.350 -0.001 0.000 0.267 50 T C 1.919 176.599 174.700 -0.034 0.000 1.046 50 T CA 1.746 63.824 62.100 -0.036 0.000 1.139 50 T CB -0.994 67.856 68.868 -0.029 0.000 0.871 50 T HN 0.850 nan 8.240 nan 0.000 0.454 51 S N 1.067 116.745 115.700 -0.036 0.000 2.584 51 S HA 0.239 4.708 4.470 -0.001 0.000 0.240 51 S C 2.031 176.611 174.600 -0.033 0.000 0.975 51 S CA 0.736 58.917 58.200 -0.032 0.000 0.949 51 S CB -1.393 61.788 63.200 -0.032 0.000 0.761 51 S HN 1.387 nan 8.310 nan 0.000 0.536 52 G N 0.639 109.416 108.800 -0.038 0.000 2.212 52 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.266 52 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.266 52 G C 0.116 174.990 174.900 -0.044 0.000 0.978 52 G CA 0.371 45.448 45.100 -0.038 0.000 0.632 52 G HN 0.557 nan 8.290 nan 0.000 0.537 53 K N 1.351 121.723 120.400 -0.048 0.000 2.382 53 K HA 0.321 4.640 4.320 -0.001 0.000 0.275 53 K C -2.178 174.379 176.600 -0.072 0.000 1.009 53 K CA -1.167 55.089 56.287 -0.052 0.000 0.970 53 K CB 0.670 33.139 32.500 -0.052 0.000 0.934 53 K HN 0.156 nan 8.250 nan 0.000 0.479 54 P HA 0.059 nan 4.420 nan 0.000 0.272 54 P C -0.478 176.737 177.300 -0.142 0.000 1.223 54 P CA -0.480 62.563 63.100 -0.094 0.000 0.784 54 P CB 0.496 32.154 31.700 -0.071 0.000 0.923 55 V N 2.423 122.220 119.914 -0.195 0.000 2.614 55 V HA 0.126 4.245 4.120 -0.001 0.000 0.291 55 V C 0.443 176.384 176.094 -0.256 0.000 1.049 55 V CA 0.020 62.140 62.300 -0.300 0.000 1.038 55 V CB 1.030 32.594 31.823 -0.430 0.000 0.980 55 V HN 0.227 nan 8.190 nan 0.000 0.481 56 V N 5.832 125.609 119.914 -0.228 0.000 2.487 56 V HA 0.437 4.556 4.120 -0.001 0.000 0.298 56 V C -0.501 175.560 176.094 -0.055 0.000 1.028 56 V CA -0.595 61.619 62.300 -0.143 0.000 0.860 56 V CB 1.729 33.503 31.823 -0.081 0.000 0.991 56 V HN 0.669 nan 8.190 nan 0.000 0.427 57 L N 4.653 125.828 121.223 -0.080 0.000 2.294 57 L HA 0.592 4.931 4.340 -0.001 0.000 0.283 57 L C -0.373 176.549 176.870 0.087 0.000 1.015 57 L CA 0.105 54.975 54.840 0.050 0.000 0.831 57 L CB 1.330 43.416 42.059 0.045 0.000 1.217 57 L HN 0.623 nan 8.230 nan 0.000 0.420 58 D N 4.790 125.244 120.400 0.090 0.000 2.380 58 D HA 0.142 4.781 4.640 -0.001 0.000 0.230 58 D C 1.119 177.476 176.300 0.095 0.000 1.154 58 D CA -0.089 53.965 54.000 0.089 0.000 0.859 58 D CB 1.000 41.837 40.800 0.062 0.000 1.045 58 D HN 0.688 nan 8.370 nan 0.000 0.495 59 L N 3.404 124.694 121.223 0.112 0.000 2.265 59 L HA -0.112 4.227 4.340 -0.001 0.000 0.215 59 L C 2.168 179.081 176.870 0.070 0.000 1.117 59 L CA 0.771 55.669 54.840 0.095 0.000 0.782 59 L CB -0.084 42.024 42.059 0.081 0.000 0.914 59 L HN 0.235 nan 8.230 nan 0.000 0.441 60 R N 0.036 120.575 120.500 0.065 0.000 2.235 60 R HA -0.099 4.240 4.340 -0.001 0.000 0.213 60 R C 1.612 177.939 176.300 0.045 0.000 1.059 60 R CA 0.610 56.742 56.100 0.054 0.000 0.997 60 R CB -0.141 30.188 30.300 0.049 0.000 0.884 60 R HN 0.405 nan 8.270 nan 0.000 0.462 61 E N 0.156 120.385 120.200 0.047 0.000 2.502 61 E HA 0.056 4.405 4.350 -0.001 0.000 0.194 61 E C -0.116 176.504 176.600 0.032 0.000 1.062 61 E CA 0.225 56.648 56.400 0.039 0.000 0.867 61 E CB 0.268 29.994 29.700 0.043 0.000 0.888 61 E HN 0.236 nan 8.360 nan 0.000 0.510 62 L N 0.327 121.571 121.223 0.037 0.000 2.319 62 L HA 0.283 4.622 4.340 -0.001 0.000 0.267 62 L C -0.032 176.856 176.870 0.031 0.000 1.011 62 L CA -1.300 53.557 54.840 0.028 0.000 0.818 62 L CB 1.427 43.507 42.059 0.035 0.000 1.316 62 L HN -0.124 nan 8.230 nan 0.000 0.432 63 D N 0.095 120.507 120.400 0.020 0.000 2.648 63 D HA -0.089 4.550 4.640 -0.001 0.000 0.229 63 D C 0.908 177.235 176.300 0.044 0.000 1.119 63 D CA 0.489 54.504 54.000 0.024 0.000 0.850 63 D CB 1.004 41.809 40.800 0.008 0.000 1.169 63 D HN 0.477 nan 8.370 nan 0.000 0.489 64 S N 2.370 118.101 115.700 0.051 0.000 2.370 64 S HA -0.168 4.301 4.470 -0.001 0.000 0.226 64 S C 1.179 175.836 174.600 0.096 0.000 1.033 64 S CA 1.135 59.379 58.200 0.073 0.000 1.011 64 S CB -0.168 63.073 63.200 0.068 0.000 0.852 64 S HN 0.615 nan 8.310 nan 0.000 0.457 65 D N 0.976 121.428 120.400 0.086 0.000 2.144 65 D HA -0.031 4.608 4.640 -0.001 0.000 0.200 65 D C 1.861 178.247 176.300 0.143 0.000 0.978 65 D CA 0.472 54.540 54.000 0.113 0.000 0.833 65 D CB -0.377 40.472 40.800 0.081 0.000 0.961 65 D HN 0.230 nan 8.370 nan 0.000 0.470 66 L N 1.083 122.361 121.223 0.092 0.000 2.056 66 L HA -0.010 4.329 4.340 -0.001 0.000 0.207 66 L C 2.141 179.103 176.870 0.154 0.000 1.078 66 L CA 1.558 56.456 54.840 0.098 0.000 0.749 66 L CB -0.873 41.195 42.059 0.016 0.000 0.901 66 L HN -0.041 nan 8.230 nan 0.000 0.433 67 A N -1.404 121.479 122.820 0.105 0.000 1.892 67 A HA -0.281 4.038 4.320 -0.001 0.000 0.218 67 A C 2.547 180.154 177.584 0.039 0.000 1.188 67 A CA 2.230 54.311 52.037 0.073 0.000 0.631 67 A CB -1.298 17.741 19.000 0.065 0.000 0.822 67 A HN 0.541 nan 8.150 nan 0.000 0.447 68 S N -2.084 113.688 115.700 0.119 0.000 2.356 68 S HA -0.224 4.245 4.470 -0.001 0.000 0.223 68 S C 1.679 176.380 174.600 0.168 0.000 1.032 68 S CA 1.685 59.989 58.200 0.173 0.000 1.005 68 S CB -0.504 62.872 63.200 0.293 0.000 0.867 68 S HN 0.729 nan 8.310 nan 0.000 0.449 69 W N 1.659 123.003 121.300 0.074 0.000 2.358 69 W HA -0.039 4.620 4.660 -0.002 0.000 0.303 69 W C 1.825 178.427 176.519 0.137 0.000 1.208 69 W CA 1.467 58.896 57.345 0.140 0.000 1.274 69 W CB -0.338 29.146 29.460 0.040 0.000 1.138 69 W HN 0.300 nan 8.180 nan 0.000 0.515 70 I N 0.363 121.120 120.570 0.311 0.000 2.179 70 I HA -0.315 3.854 4.170 -0.001 0.000 0.242 70 I C 2.618 178.605 176.117 -0.217 0.000 1.088 70 I CA 1.446 62.822 61.300 0.128 0.000 1.357 70 I CB -1.062 37.026 38.000 0.147 0.000 1.051 70 I HN 0.070 nan 8.210 nan 0.000 0.409 71 A N 0.353 122.930 122.820 -0.405 0.000 1.877 71 A HA -0.217 4.102 4.320 -0.001 0.000 0.216 71 A C 2.377 179.609 177.584 -0.588 0.000 1.186 71 A CA 2.511 54.093 52.037 -0.759 0.000 0.620 71 A CB -1.165 16.905 19.000 -1.550 0.000 0.822 71 A HN 0.381 nan 8.150 nan 0.000 0.443 72 T N -0.504 113.807 114.554 -0.405 0.000 2.759 72 T HA -0.140 4.209 4.350 -0.001 0.000 0.269 72 T C 0.900 175.242 174.700 -0.597 0.000 1.042 72 T CA 1.979 63.891 62.100 -0.312 0.000 1.140 72 T CB -0.369 68.346 68.868 -0.256 0.000 0.864 72 T HN 0.737 nan 8.240 nan 0.000 0.455 73 H N -0.290 118.461 119.070 -0.532 0.000 2.503 73 H HA 0.645 5.200 4.556 -0.002 0.000 0.296 73 H C 1.589 176.710 175.328 -0.344 0.000 1.097 73 H CA -0.069 55.656 56.048 -0.538 0.000 1.055 73 H CB -0.194 28.948 29.762 -1.033 0.000 1.580 73 H HN 0.271 nan 8.280 nan 0.000 0.546 74 A N 1.195 123.862 122.820 -0.254 0.000 2.024 74 A HA -0.243 4.076 4.320 -0.001 0.000 0.220 74 A C 2.348 179.867 177.584 -0.108 0.000 1.164 74 A CA 1.652 53.538 52.037 -0.252 0.000 0.643 74 A CB -0.236 18.490 19.000 -0.457 0.000 0.806 74 A HN 0.555 nan 8.150 nan 0.000 0.451 75 R N 0.074 120.521 120.500 -0.088 0.000 2.152 75 R HA 0.023 4.362 4.340 -0.001 0.000 0.232 75 R C 1.514 177.835 176.300 0.035 0.000 1.117 75 R CA 1.826 57.913 56.100 -0.021 0.000 0.981 75 R CB -0.796 29.487 30.300 -0.028 0.000 0.870 75 R HN 0.461 nan 8.270 nan 0.000 0.451 76 L N -0.058 121.190 121.223 0.042 0.000 2.168 76 L HA 0.056 4.395 4.340 -0.001 0.000 0.203 76 L C 2.213 179.141 176.870 0.097 0.000 1.078 76 L CA 0.369 55.276 54.840 0.113 0.000 0.780 76 L CB -0.268 41.871 42.059 0.133 0.000 0.939 76 L HN 0.024 nan 8.230 nan 0.000 0.451 77 V N -0.372 119.591 119.914 0.082 0.000 2.323 77 V HA -0.200 3.919 4.120 -0.001 0.000 0.244 77 V C 2.540 178.689 176.094 0.092 0.000 1.041 77 V CA 1.513 63.875 62.300 0.104 0.000 1.025 77 V CB -0.432 31.494 31.823 0.172 0.000 0.656 77 V HN 0.425 nan 8.190 nan 0.000 0.451 78 E N 0.719 121.022 120.200 0.171 0.000 2.049 78 E HA -0.209 4.140 4.350 -0.001 0.000 0.198 78 E C -0.034 176.567 176.600 0.001 0.000 1.007 78 E CA 2.304 58.821 56.400 0.195 0.000 0.809 78 E CB -1.205 28.646 29.700 0.252 0.000 0.749 78 E HN 0.478 nan 8.360 nan 0.000 0.450 79 P HA -0.076 nan 4.420 nan 0.000 0.221 79 P C 1.180 178.135 177.300 -0.575 0.000 1.150 79 P CA 1.661 64.674 63.100 -0.145 0.000 0.800 79 P CB -0.139 31.596 31.700 0.058 0.000 0.787 80 A N 0.559 122.875 122.820 -0.839 0.000 1.877 80 A HA -0.139 4.180 4.320 -0.001 0.000 0.216 80 A C 2.424 179.741 177.584 -0.446 0.000 1.186 80 A CA 1.412 52.788 52.037 -1.101 0.000 0.620 80 A CB -1.582 17.054 19.000 -0.607 0.000 0.822 80 A HN 0.114 nan 8.150 nan 0.000 0.443 81 L N -1.213 119.885 121.223 -0.208 0.000 2.017 81 L HA -0.195 4.144 4.340 -0.001 0.000 0.208 81 L C 2.873 179.722 176.870 -0.034 0.000 1.073 81 L CA 1.499 56.317 54.840 -0.037 0.000 0.745 81 L CB -0.602 41.478 42.059 0.035 0.000 0.894 81 L HN 0.364 nan 8.230 nan 0.000 0.432 82 R N -0.026 120.425 120.500 -0.081 0.000 2.103 82 R HA -0.236 4.103 4.340 -0.001 0.000 0.242 82 R C 2.264 178.543 176.300 -0.035 0.000 1.142 82 R CA 1.772 57.840 56.100 -0.054 0.000 0.960 82 R CB -0.268 30.007 30.300 -0.042 0.000 0.858 82 R HN 0.265 nan 8.270 nan 0.000 0.439 83 E N 1.147 121.303 120.200 -0.072 0.000 2.051 83 E HA -0.145 4.204 4.350 -0.001 0.000 0.192 83 E C 1.914 178.531 176.600 0.029 0.000 0.991 83 E CA 1.227 57.634 56.400 0.011 0.000 0.799 83 E CB -0.311 29.431 29.700 0.069 0.000 0.748 83 E HN 0.247 nan 8.360 nan 0.000 0.449 84 L N 0.145 121.375 121.223 0.012 0.000 2.013 84 L HA -0.203 4.137 4.340 -0.001 0.000 0.212 84 L C 2.637 179.546 176.870 0.065 0.000 1.073 84 L CA 1.700 56.578 54.840 0.064 0.000 0.753 84 L CB -0.783 41.346 42.059 0.117 0.000 0.890 84 L HN 0.279 nan 8.230 nan 0.000 0.432 85 V N -2.338 117.599 119.914 0.039 0.000 2.667 85 V HA -0.192 3.927 4.120 -0.001 0.000 0.252 85 V C 2.510 178.599 176.094 -0.007 0.000 1.065 85 V CA 1.416 63.711 62.300 -0.008 0.000 1.083 85 V CB -0.691 31.094 31.823 -0.063 0.000 0.692 85 V HN 0.409 nan 8.190 nan 0.000 0.468 86 R N 0.404 120.909 120.500 0.007 0.000 2.096 86 R HA -0.122 4.217 4.340 -0.001 0.000 0.235 86 R C 2.308 178.620 176.300 0.019 0.000 1.127 86 R CA 2.091 58.199 56.100 0.013 0.000 0.968 86 R CB -0.592 29.725 30.300 0.028 0.000 0.861 86 R HN 0.662 nan 8.270 nan 0.000 0.440 87 T N 0.124 114.695 114.554 0.029 0.000 2.746 87 T HA -0.099 4.251 4.350 -0.001 0.000 0.267 87 T C 1.795 176.506 174.700 0.018 0.000 1.039 87 T CA 1.478 63.595 62.100 0.030 0.000 1.142 87 T CB -0.111 68.781 68.868 0.041 0.000 0.866 87 T HN 0.047 nan 8.240 nan 0.000 0.444 88 V N 0.669 120.591 119.914 0.012 0.000 2.591 88 V HA 0.233 4.353 4.120 -0.001 0.000 0.249 88 V C 1.358 177.446 176.094 -0.009 0.000 1.053 88 V CA 1.139 63.440 62.300 0.001 0.000 1.068 88 V CB -0.557 31.261 31.823 -0.009 0.000 0.689 88 V HN 0.522 nan 8.190 nan 0.000 0.462 89 A N -0.306 122.507 122.820 -0.012 0.000 3.082 89 A HA 0.620 4.939 4.320 -0.001 0.000 0.328 89 A C -2.026 175.552 177.584 -0.010 0.000 1.089 89 A CA -0.820 51.208 52.037 -0.016 0.000 0.802 89 A CB 0.562 19.545 19.000 -0.029 0.000 1.138 89 A HN 0.262 nan 8.150 nan 0.000 0.474 90 P HA -0.080 nan 4.420 nan 0.000 0.228 90 P C 0.329 177.628 177.300 -0.002 0.000 1.151 90 P CA 1.112 64.213 63.100 0.002 0.000 0.770 90 P CB 0.310 32.013 31.700 0.006 0.000 0.786 91 D N -0.939 119.457 120.400 -0.007 0.000 2.097 91 D HA -0.057 4.582 4.640 -0.001 0.000 0.197 91 D C 0.956 177.250 176.300 -0.011 0.000 0.984 91 D CA 0.837 54.832 54.000 -0.009 0.000 0.826 91 D CB -0.611 40.182 40.800 -0.011 0.000 0.973 91 D HN 0.077 nan 8.370 nan 0.000 0.460 92 V N 0.115 120.020 119.914 -0.016 0.000 2.994 92 V HA 0.133 4.252 4.120 -0.001 0.000 0.318 92 V C -0.567 175.515 176.094 -0.020 0.000 1.085 92 V CA -1.026 61.262 62.300 -0.020 0.000 0.998 92 V CB 2.041 33.848 31.823 -0.027 0.000 1.063 92 V HN -0.012 nan 8.190 nan 0.000 0.447 93 E N 4.453 124.640 120.200 -0.021 0.000 2.415 93 E HA 0.148 4.497 4.350 -0.001 0.000 0.260 93 E C -2.347 174.235 176.600 -0.030 0.000 1.016 93 E CA -1.226 55.161 56.400 -0.022 0.000 0.924 93 E CB 0.858 30.544 29.700 -0.024 0.000 0.961 93 E HN 0.429 nan 8.360 nan 0.000 0.459 94 P HA 0.159 nan 4.420 nan 0.000 0.282 94 P C -1.107 176.166 177.300 -0.046 0.000 1.274 94 P CA 0.124 63.202 63.100 -0.038 0.000 0.770 94 P CB 0.550 32.234 31.700 -0.026 0.000 0.867 95 R N 2.137 122.601 120.500 -0.060 0.000 2.599 95 R HA 0.667 5.006 4.340 -0.001 0.000 0.295 95 R C -1.143 175.101 176.300 -0.093 0.000 0.963 95 R CA -1.050 55.014 56.100 -0.060 0.000 0.883 95 R CB 2.192 32.465 30.300 -0.045 0.000 1.171 95 R HN 0.197 nan 8.270 nan 0.000 0.450 96 V N 3.711 123.564 119.914 -0.102 0.000 2.656 96 V HA 0.527 4.647 4.120 -0.001 0.000 0.307 96 V C -0.286 175.678 176.094 -0.218 0.000 1.051 96 V CA -0.921 61.260 62.300 -0.198 0.000 0.893 96 V CB 2.093 33.777 31.823 -0.231 0.000 0.999 96 V HN 0.594 nan 8.190 nan 0.000 0.426 97 R N 2.873 123.194 120.500 -0.298 0.000 2.750 97 R HA 0.651 4.990 4.340 -0.001 0.000 0.281 97 R C -1.565 174.517 176.300 -0.363 0.000 0.972 97 R CA -0.553 55.434 56.100 -0.188 0.000 0.912 97 R CB 2.202 32.468 30.300 -0.057 0.000 1.187 97 R HN 0.529 nan 8.270 nan 0.000 0.464 98 F N 1.464 121.427 119.950 0.021 0.000 2.495 98 F HA 0.560 5.086 4.527 -0.001 0.000 0.327 98 F C 0.741 176.558 175.800 0.027 0.000 1.103 98 F CA -0.833 57.179 58.000 0.020 0.000 0.949 98 F CB 1.381 40.379 39.000 -0.004 0.000 1.142 98 F HN -0.002 nan 8.300 nan 0.000 0.457 99 R N 0.517 121.134 120.500 0.194 0.000 2.854 99 R HA 0.636 4.975 4.340 -0.001 0.000 0.271 99 R C 0.181 176.550 176.300 0.116 0.000 0.996 99 R CA -0.872 55.306 56.100 0.129 0.000 0.961 99 R CB 1.369 31.718 30.300 0.083 0.000 1.182 99 R HN 0.831 nan 8.270 nan 0.000 0.479 100 G N 1.128 109.979 108.800 0.086 0.000 2.256 100 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.272 100 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.272 100 G C -0.365 174.580 174.900 0.074 0.000 1.076 100 G CA -0.304 44.841 45.100 0.075 0.000 0.882 100 G HN 0.275 nan 8.290 nan 0.000 0.497 101 L N 0.839 122.103 121.223 0.067 0.000 2.578 101 L HA 0.252 4.591 4.340 -0.001 0.000 0.279 101 L C -1.198 175.743 176.870 0.119 0.000 1.227 101 L CA -0.529 54.341 54.840 0.050 0.000 0.900 101 L CB -0.071 42.022 42.059 0.057 0.000 1.144 101 L HN 0.070 nan 8.230 nan 0.000 0.496 102 P HA -0.056 nan 4.420 nan 0.000 0.266 102 P C 0.492 177.978 177.300 0.310 0.000 1.193 102 P CA 0.116 63.379 63.100 0.270 0.000 0.770 102 P CB 0.404 32.332 31.700 0.380 0.000 0.836 103 H N 3.644 122.800 119.070 0.144 0.000 2.387 103 H HA -0.186 4.369 4.556 -0.001 0.000 0.299 103 H C 1.886 177.246 175.328 0.053 0.000 1.099 103 H CA 2.039 58.139 56.048 0.088 0.000 1.315 103 H CB 0.158 29.950 29.762 0.051 0.000 1.380 103 H HN 0.361 nan 8.280 nan 0.000 0.513 104 R N -0.902 119.615 120.500 0.029 0.000 2.237 104 R HA -0.061 4.278 4.340 -0.001 0.000 0.219 104 R C 0.879 176.971 176.300 -0.346 0.000 1.080 104 R CA 1.466 57.449 56.100 -0.195 0.000 0.995 104 R CB -0.444 29.684 30.300 -0.286 0.000 0.875 104 R HN 0.283 nan 8.270 nan 0.000 0.462 105 F N 1.040 120.949 119.950 -0.069 0.000 2.765 105 F HA 0.299 4.825 4.527 -0.001 0.000 0.302 105 F C 0.654 176.400 175.800 -0.091 0.000 1.111 105 F CA -0.321 57.634 58.000 -0.075 0.000 1.359 105 F CB 0.238 39.198 39.000 -0.066 0.000 1.097 105 F HN -0.218 nan 8.300 nan 0.000 0.577 106 R N 0.333 120.827 120.500 -0.010 0.000 2.428 106 R HA 0.490 4.830 4.340 -0.001 0.000 0.294 106 R C 0.260 176.500 176.300 -0.100 0.000 1.000 106 R CA -0.909 55.155 56.100 -0.060 0.000 0.960 106 R CB 0.797 31.025 30.300 -0.119 0.000 1.076 106 R HN 0.080 nan 8.270 nan 0.000 0.475 107 R N -0.156 120.315 120.500 -0.047 0.000 3.264 107 R HA -0.152 4.187 4.340 -0.001 0.000 0.251 107 R C -0.451 175.824 176.300 -0.041 0.000 0.971 107 R CA 0.093 56.171 56.100 -0.036 0.000 0.658 107 R CB -1.840 28.436 30.300 -0.039 0.000 1.095 107 R HN 0.305 nan 8.270 nan 0.000 0.443 108 V N 1.341 121.235 119.914 -0.034 0.000 2.529 108 V HA -0.066 4.053 4.120 -0.001 0.000 0.292 108 V C 1.752 177.831 176.094 -0.026 0.000 1.028 108 V CA 0.689 62.966 62.300 -0.039 0.000 1.074 108 V CB 1.221 33.027 31.823 -0.030 0.000 0.958 108 V HN 0.385 nan 8.190 nan 0.000 0.481 109 E N 3.813 123.995 120.200 -0.029 0.000 2.318 109 E HA 0.080 4.429 4.350 -0.001 0.000 0.193 109 E C 0.190 176.780 176.600 -0.017 0.000 0.998 109 E CA 0.274 56.663 56.400 -0.018 0.000 0.859 109 E CB 0.366 30.057 29.700 -0.016 0.000 0.812 109 E HN 0.388 nan 8.360 nan 0.000 0.492 110 R N 0.896 121.381 120.500 -0.024 0.000 2.521 110 R HA 0.198 4.537 4.340 -0.001 0.000 0.295 110 R C 0.707 176.993 176.300 -0.024 0.000 1.183 110 R CA -0.155 55.933 56.100 -0.021 0.000 0.957 110 R CB 0.700 30.986 30.300 -0.024 0.000 1.171 110 R HN 0.157 nan 8.270 nan 0.000 0.494 111 I N -0.617 119.943 120.570 -0.017 0.000 2.716 111 I HA 0.054 4.223 4.170 -0.001 0.000 0.259 111 I C 2.134 178.241 176.117 -0.018 0.000 1.172 111 I CA 0.597 61.888 61.300 -0.015 0.000 1.478 111 I CB 0.022 38.018 38.000 -0.007 0.000 1.104 111 I HN 0.311 nan 8.210 nan 0.000 0.439 112 R N 1.688 122.178 120.500 -0.017 0.000 2.091 112 R HA -0.071 4.268 4.340 -0.001 0.000 0.238 112 R C -0.394 175.891 176.300 -0.024 0.000 1.136 112 R CA 1.935 58.024 56.100 -0.017 0.000 0.959 112 R CB -1.275 29.017 30.300 -0.014 0.000 0.856 112 R HN 0.352 nan 8.270 nan 0.000 0.437 113 P HA -0.080 nan 4.420 nan 0.000 0.230 113 P C 0.331 177.604 177.300 -0.045 0.000 1.158 113 P CA 0.975 64.052 63.100 -0.037 0.000 0.769 113 P CB 0.185 31.860 31.700 -0.041 0.000 0.807 114 M N -0.744 118.832 119.600 -0.039 0.000 2.571 114 M HA 0.130 4.609 4.480 -0.001 0.000 0.235 114 M C 0.093 176.368 176.300 -0.040 0.000 1.216 114 M CA -0.616 54.663 55.300 -0.035 0.000 0.979 114 M CB -1.436 31.155 32.600 -0.015 0.000 1.616 114 M HN -0.098 nan 8.290 nan 0.000 0.469 115 D N 0.861 121.234 120.400 -0.045 0.000 2.525 115 D HA 0.255 4.895 4.640 -0.001 0.000 0.235 115 D C 1.446 177.702 176.300 -0.073 0.000 1.137 115 D CA 2.133 56.105 54.000 -0.046 0.000 0.868 115 D CB 0.605 41.382 40.800 -0.038 0.000 1.180 115 D HN 0.611 nan 8.370 nan 0.000 0.465 116 G N 1.874 110.632 108.800 -0.069 0.000 2.225 116 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.254 116 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.254 116 G C 0.388 175.206 174.900 -0.138 0.000 0.988 116 G CA 0.412 45.453 45.100 -0.098 0.000 0.625 116 G HN 0.918 nan 8.290 nan 0.000 0.527 117 A N -0.132 122.617 122.820 -0.119 0.000 2.295 117 A HA 0.815 5.134 4.320 -0.001 0.000 0.318 117 A C 0.091 177.593 177.584 -0.136 0.000 1.134 117 A CA -0.193 51.765 52.037 -0.132 0.000 0.827 117 A CB 1.198 20.192 19.000 -0.009 0.000 1.136 117 A HN 1.498 nan 8.150 nan 0.000 0.493 118 L N 3.182 124.254 121.223 -0.252 0.000 2.360 118 L HA 0.637 4.976 4.340 -0.001 0.000 0.276 118 L C -0.241 176.555 176.870 -0.123 0.000 1.121 118 L CA 0.369 55.047 54.840 -0.271 0.000 0.845 118 L CB -0.079 41.661 42.059 -0.532 0.000 1.143 118 L HN 0.630 nan 8.230 nan 0.000 0.452 119 I N 1.430 121.979 120.570 -0.035 0.000 3.191 119 I HA 0.796 4.965 4.170 -0.001 0.000 0.313 119 I C -0.826 175.308 176.117 0.028 0.000 1.193 119 I CA -0.649 60.683 61.300 0.053 0.000 0.968 119 I CB 2.245 40.285 38.000 0.066 0.000 1.262 119 I HN 0.615 nan 8.210 nan 0.000 0.456 120 S N 3.224 118.949 115.700 0.041 0.000 2.532 120 S HA 0.841 5.311 4.470 -0.001 0.000 0.301 120 S C -0.456 174.155 174.600 0.018 0.000 1.083 120 S CA -0.688 57.531 58.200 0.031 0.000 1.025 120 S CB 1.645 64.871 63.200 0.043 0.000 1.056 120 S HN 0.871 nan 8.310 nan 0.000 0.494 121 I N -1.024 119.556 120.570 0.017 0.000 2.797 121 I HA 0.794 4.963 4.170 -0.001 0.000 0.307 121 I C -0.637 175.492 176.117 0.020 0.000 1.033 121 I CA -0.817 60.490 61.300 0.012 0.000 1.071 121 I CB 1.993 39.998 38.000 0.009 0.000 1.255 121 I HN 0.839 nan 8.210 nan 0.000 0.445 122 E N 2.437 122.648 120.200 0.018 0.000 2.290 122 E HA 0.712 5.061 4.350 -0.001 0.000 0.274 122 E C -0.828 175.785 176.600 0.022 0.000 0.889 122 E CA -0.643 55.773 56.400 0.025 0.000 0.760 122 E CB 2.220 31.936 29.700 0.028 0.000 1.206 122 E HN 1.101 nan 8.360 nan 0.000 0.419 123 G N 1.292 110.106 108.800 0.024 0.000 2.356 123 G HA2 0.243 4.202 3.960 -0.001 0.000 0.281 123 G HA3 0.243 4.202 3.960 -0.001 0.000 0.281 123 G C -1.520 173.394 174.900 0.023 0.000 1.246 123 G CA -0.415 44.698 45.100 0.022 0.000 0.889 123 G HN 0.388 nan 8.290 nan 0.000 0.486 124 V N 0.732 120.659 119.914 0.022 0.000 2.427 124 V HA 0.488 4.607 4.120 -0.001 0.000 0.286 124 V C 0.452 176.561 176.094 0.025 0.000 1.034 124 V CA -0.644 61.670 62.300 0.024 0.000 0.893 124 V CB 1.426 33.262 31.823 0.022 0.000 0.982 124 V HN 0.621 nan 8.190 nan 0.000 0.452 125 V N 6.960 126.891 119.914 0.029 0.000 2.446 125 V HA 0.177 4.296 4.120 -0.001 0.000 0.276 125 V C 1.437 177.552 176.094 0.034 0.000 1.030 125 V CA -0.116 62.204 62.300 0.033 0.000 1.033 125 V CB 0.486 32.333 31.823 0.039 0.000 0.993 125 V HN 0.798 nan 8.190 nan 0.000 0.477 126 R N 2.861 123.380 120.500 0.033 0.000 2.140 126 R HA 0.228 4.567 4.340 -0.001 0.000 0.213 126 R C 0.660 176.984 176.300 0.040 0.000 1.059 126 R CA 0.429 56.549 56.100 0.032 0.000 1.000 126 R CB 0.492 30.808 30.300 0.027 0.000 0.910 126 R HN 0.845 nan 8.270 nan 0.000 0.455 127 E N 0.032 120.259 120.200 0.046 0.000 2.380 127 E HA 0.264 4.613 4.350 -0.001 0.000 0.281 127 E C -1.644 175.000 176.600 0.072 0.000 0.999 127 E CA -0.579 55.856 56.400 0.058 0.000 0.800 127 E CB 2.179 31.903 29.700 0.040 0.000 1.228 127 E HN -0.112 nan 8.360 nan 0.000 0.436 128 V N 0.338 120.318 119.914 0.110 0.000 2.962 128 V HA 0.900 5.020 4.120 -0.001 0.000 0.313 128 V C -1.003 175.131 176.094 0.066 0.000 1.099 128 V CA -0.766 61.606 62.300 0.120 0.000 0.971 128 V CB 1.775 33.722 31.823 0.207 0.000 1.028 128 V HN 0.893 nan 8.190 nan 0.000 0.430 129 R N 1.731 122.144 120.500 -0.146 0.000 2.710 129 R HA 0.981 5.320 4.340 -0.001 0.000 0.270 129 R C -0.292 175.492 176.300 -0.860 0.000 1.021 129 R CA -0.133 55.640 56.100 -0.544 0.000 0.889 129 R CB 1.878 31.996 30.300 -0.304 0.000 1.243 129 R HN 1.878 nan 8.270 nan 0.000 0.464 130 G N -0.480 107.411 108.800 -1.516 0.000 2.348 130 G HA2 0.536 4.495 3.960 -0.001 0.000 0.296 130 G HA3 0.536 4.495 3.960 -0.001 0.000 0.296 130 G C -1.318 172.898 174.900 -1.140 0.000 1.258 130 G CA -0.170 44.294 45.100 -1.061 0.000 0.868 130 G HN 0.862 nan 8.290 nan 0.000 0.488 131 A N -1.824 120.789 122.820 -0.346 0.000 1.958 131 A HA 0.712 5.031 4.320 -0.001 0.000 0.185 131 A C 1.463 179.248 177.584 0.334 0.000 1.833 131 A CA 1.305 53.351 52.037 0.016 0.000 1.630 131 A CB -0.502 18.489 19.000 -0.016 0.000 1.437 131 A HN 0.580 nan 8.150 nan 0.000 0.732 132 E N 0.505 120.810 120.200 0.175 0.000 2.106 132 E HA -0.080 4.269 4.350 -0.001 0.000 0.192 132 E C 0.767 177.479 176.600 0.186 0.000 0.984 132 E CA 0.675 57.173 56.400 0.163 0.000 0.806 132 E CB 0.087 29.839 29.700 0.087 0.000 0.750 132 E HN 0.365 nan 8.360 nan 0.000 0.458 133 R N 0.199 120.793 120.500 0.156 0.000 2.711 133 R HA 0.270 4.609 4.340 -0.001 0.000 0.284 133 R C -0.860 175.535 176.300 0.159 0.000 0.968 133 R CA -0.829 55.352 56.100 0.136 0.000 0.924 133 R CB 1.009 31.341 30.300 0.053 0.000 1.162 133 R HN 0.029 nan 8.270 nan 0.000 0.465 134 L N 3.271 124.618 121.223 0.208 0.000 2.418 134 L HA 0.140 4.479 4.340 -0.001 0.000 0.274 134 L C -0.035 176.830 176.870 -0.008 0.000 1.135 134 L CA 1.136 56.079 54.840 0.172 0.000 0.870 134 L CB 0.673 42.879 42.059 0.245 0.000 1.154 134 L HN 0.834 nan 8.230 nan 0.000 0.462 135 E N 3.351 123.483 120.200 -0.113 0.000 2.406 135 E HA 0.228 4.577 4.350 -0.001 0.000 0.204 135 E C -0.352 176.026 176.600 -0.371 0.000 0.820 135 E CA -0.130 56.145 56.400 -0.207 0.000 1.136 135 E CB 0.447 30.066 29.700 -0.135 0.000 1.129 135 E HN 0.619 nan 8.360 nan 0.000 0.530 136 H N -0.690 118.286 119.070 -0.156 0.000 2.821 136 H HA 0.715 5.270 4.556 -0.002 0.000 0.373 136 H C -1.071 174.210 175.328 -0.080 0.000 1.165 136 H CA -0.696 55.278 56.048 -0.124 0.000 1.154 136 H CB 2.241 31.923 29.762 -0.134 0.000 1.765 136 H HN 0.116 nan 8.280 nan 0.000 0.549 137 A N 2.271 125.133 122.820 0.070 0.000 2.515 137 A HA 0.659 4.978 4.320 -0.001 0.000 0.296 137 A C -1.085 176.525 177.584 0.044 0.000 1.094 137 A CA -0.633 51.435 52.037 0.050 0.000 0.718 137 A CB 1.502 20.524 19.000 0.036 0.000 1.307 137 A HN 0.549 nan 8.150 nan 0.000 0.408 138 I N 1.165 121.756 120.570 0.035 0.000 2.406 138 I HA 0.475 4.644 4.170 -0.001 0.000 0.290 138 I C -0.932 175.200 176.117 0.025 0.000 0.999 138 I CA -0.856 60.460 61.300 0.026 0.000 1.124 138 I CB 2.006 40.017 38.000 0.018 0.000 1.289 138 I HN 0.304 nan 8.210 nan 0.000 0.441 139 V N 4.442 124.369 119.914 0.021 0.000 2.448 139 V HA 0.225 4.344 4.120 -0.001 0.000 0.295 139 V C -0.406 175.698 176.094 0.017 0.000 1.025 139 V CA -0.641 61.671 62.300 0.020 0.000 0.859 139 V CB 1.854 33.688 31.823 0.018 0.000 0.988 139 V HN 0.634 nan 8.190 nan 0.000 0.431 140 D N 3.517 123.928 120.400 0.018 0.000 2.352 140 D HA 0.118 4.757 4.640 -0.001 0.000 0.245 140 D C 1.250 177.559 176.300 0.015 0.000 1.224 140 D CA 0.057 54.067 54.000 0.016 0.000 0.879 140 D CB 1.446 42.257 40.800 0.018 0.000 1.057 140 D HN 0.711 nan 8.370 nan 0.000 0.491 141 T N 0.715 115.276 114.554 0.012 0.000 3.144 141 T HA 0.406 4.755 4.350 -0.001 0.000 0.249 141 T C 1.324 176.030 174.700 0.010 0.000 1.089 141 T CA 0.301 62.408 62.100 0.011 0.000 0.989 141 T CB 0.264 69.136 68.868 0.007 0.000 0.992 141 T HN 0.523 nan 8.240 nan 0.000 0.540 142 G N 1.171 109.978 108.800 0.011 0.000 2.792 142 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.201 142 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.201 142 G C 1.163 176.068 174.900 0.008 0.000 1.322 142 G CA 0.224 45.330 45.100 0.011 0.000 0.910 142 G HN 0.539 nan 8.290 nan 0.000 0.535 143 S N 1.274 116.977 115.700 0.005 0.000 2.502 143 S HA 0.422 4.891 4.470 -0.001 0.000 0.215 143 S C 0.433 175.035 174.600 0.002 0.000 1.009 143 S CA 1.078 59.279 58.200 0.003 0.000 0.908 143 S CB 0.473 63.673 63.200 0.000 0.000 0.801 143 S HN 1.040 nan 8.310 nan 0.000 0.505 144 E N 0.347 120.549 120.200 0.003 0.000 2.449 144 E HA 0.563 4.912 4.350 -0.001 0.000 0.278 144 E C -1.616 174.987 176.600 0.006 0.000 0.992 144 E CA -1.012 55.390 56.400 0.003 0.000 0.807 144 E CB 0.864 30.564 29.700 -0.000 0.000 1.350 144 E HN 0.002 nan 8.360 nan 0.000 0.462 145 L N 1.450 122.676 121.223 0.006 0.000 2.282 145 L HA 0.539 4.878 4.340 -0.001 0.000 0.288 145 L C -0.795 176.079 176.870 0.007 0.000 1.033 145 L CA -1.262 53.583 54.840 0.008 0.000 0.807 145 L CB 1.664 43.728 42.059 0.008 0.000 1.209 145 L HN 0.369 nan 8.230 nan 0.000 0.423 146 V N 2.588 122.507 119.914 0.009 0.000 2.417 146 V HA 0.543 4.662 4.120 -0.001 0.000 0.291 146 V C 0.417 176.520 176.094 0.015 0.000 1.024 146 V CA -0.638 61.668 62.300 0.010 0.000 0.861 146 V CB 1.656 33.484 31.823 0.008 0.000 0.985 146 V HN 0.872 nan 8.190 nan 0.000 0.436 147 A N 4.985 127.816 122.820 0.018 0.000 2.363 147 A HA 0.739 5.058 4.320 -0.001 0.000 0.270 147 A C -0.464 177.141 177.584 0.035 0.000 1.121 147 A CA -0.271 51.785 52.037 0.032 0.000 0.800 147 A CB 0.688 19.708 19.000 0.034 0.000 1.052 147 A HN 0.763 nan 8.150 nan 0.000 0.493 148 V N 3.567 123.505 119.914 0.039 0.000 2.577 148 V HA 0.373 4.492 4.120 -0.001 0.000 0.303 148 V C 0.017 176.071 176.094 -0.067 0.000 1.042 148 V CA -0.653 61.646 62.300 -0.001 0.000 0.872 148 V CB 1.655 33.473 31.823 -0.009 0.000 0.998 148 V HN 0.952 nan 8.190 nan 0.000 0.423 149 R N 3.492 123.897 120.500 -0.158 0.000 2.234 149 R HA 0.466 4.805 4.340 -0.001 0.000 0.324 149 R C 0.596 176.623 176.300 -0.454 0.000 1.054 149 R CA -0.365 55.456 56.100 -0.464 0.000 0.912 149 R CB 1.116 31.122 30.300 -0.490 0.000 1.030 149 R HN 0.677 nan 8.270 nan 0.000 0.455 150 L N 2.051 123.022 121.223 -0.420 0.000 2.270 150 L HA -0.017 4.322 4.340 -0.001 0.000 0.210 150 L C 0.194 177.093 176.870 0.049 0.000 1.104 150 L CA 0.140 54.903 54.840 -0.129 0.000 0.804 150 L CB -0.153 41.870 42.059 -0.061 0.000 0.937 150 L HN 0.755 nan 8.230 nan 0.000 0.450 151 H N -0.079 118.998 119.070 0.011 0.000 2.692 151 H HA -0.181 4.374 4.556 -0.002 0.000 0.316 151 H C 1.438 176.725 175.328 -0.068 0.000 1.176 151 H CA 0.727 56.783 56.048 0.015 0.000 1.142 151 H CB -1.701 28.111 29.762 0.082 0.000 1.475 151 H HN 0.584 nan 8.280 nan 0.000 0.423 152 G N -0.794 107.994 108.800 -0.021 0.000 2.225 152 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.254 152 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.254 152 G C 0.087 174.888 174.900 -0.164 0.000 0.988 152 G CA 0.559 45.593 45.100 -0.111 0.000 0.625 152 G HN 0.758 nan 8.290 nan 0.000 0.527 153 H N 0.662 119.739 119.070 0.011 0.000 2.683 153 H HA 0.650 5.205 4.556 -0.001 0.000 0.339 153 H C 0.924 176.252 175.328 0.001 0.000 1.081 153 H CA 0.106 56.154 56.048 -0.001 0.000 1.432 153 H CB 0.600 30.357 29.762 -0.009 0.000 1.462 153 H HN 0.342 nan 8.280 nan 0.000 0.557 154 R N 2.086 122.653 120.500 0.111 0.000 2.540 154 R HA 0.593 4.932 4.340 -0.001 0.000 0.287 154 R C -1.075 175.267 176.300 0.070 0.000 0.980 154 R CA -0.761 55.386 56.100 0.078 0.000 0.966 154 R CB 0.915 31.247 30.300 0.052 0.000 1.106 154 R HN 0.497 nan 8.270 nan 0.000 0.480 155 L N -1.912 119.352 121.223 0.068 0.000 3.119 155 L HA 0.836 5.175 4.340 -0.001 0.000 0.283 155 L C -0.678 176.231 176.870 0.066 0.000 1.028 155 L CA -0.952 53.923 54.840 0.057 0.000 0.975 155 L CB 0.846 42.934 42.059 0.049 0.000 1.543 155 L HN 0.663 nan 8.230 nan 0.000 0.390 156 G N -1.828 107.006 108.800 0.057 0.000 2.692 156 G HA2 0.758 4.717 3.960 -0.001 0.000 0.291 156 G HA3 0.758 4.717 3.960 -0.001 0.000 0.291 156 G C -3.294 171.638 174.900 0.054 0.000 1.423 156 G CA -1.572 43.565 45.100 0.062 0.000 0.843 156 G HN 0.513 nan 8.290 nan 0.000 0.486 157 P HA 0.295 nan 4.420 nan 0.000 0.264 157 P C 1.042 178.363 177.300 0.034 0.000 1.193 157 P CA 1.739 64.868 63.100 0.048 0.000 0.763 157 P CB 1.143 32.875 31.700 0.052 0.000 0.810 158 G N 1.678 110.496 108.800 0.031 0.000 2.234 158 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.235 158 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.235 158 G C -0.100 174.814 174.900 0.023 0.000 0.997 158 G CA -0.322 44.792 45.100 0.024 0.000 0.623 158 G HN 0.567 nan 8.290 nan 0.000 0.514 159 L N 1.548 122.787 121.223 0.027 0.000 2.453 159 L HA 0.596 4.935 4.340 -0.001 0.000 0.272 159 L C 0.996 177.883 176.870 0.027 0.000 1.182 159 L CA -0.075 54.781 54.840 0.027 0.000 0.858 159 L CB 0.635 42.712 42.059 0.031 0.000 1.120 159 L HN 0.357 nan 8.230 nan 0.000 0.474 160 R N 3.915 124.431 120.500 0.026 0.000 2.254 160 R HA 0.648 4.987 4.340 -0.001 0.000 0.318 160 R C -1.324 174.997 176.300 0.037 0.000 1.031 160 R CA -0.487 55.630 56.100 0.028 0.000 0.905 160 R CB 0.798 31.113 30.300 0.024 0.000 1.050 160 R HN 0.599 nan 8.270 nan 0.000 0.456 161 V N 0.202 120.140 119.914 0.039 0.000 3.007 161 V HA 0.548 4.667 4.120 -0.001 0.000 0.311 161 V C -0.972 175.155 176.094 0.055 0.000 1.120 161 V CA -1.016 61.313 62.300 0.049 0.000 0.980 161 V CB 1.907 33.752 31.823 0.037 0.000 1.033 161 V HN 0.861 nan 8.190 nan 0.000 0.429 162 E N 2.417 122.668 120.200 0.085 0.000 2.151 162 E HA 0.687 5.036 4.350 -0.001 0.000 0.275 162 E C -1.362 175.288 176.600 0.083 0.000 0.936 162 E CA -0.781 55.673 56.400 0.091 0.000 0.777 162 E CB 1.680 31.449 29.700 0.115 0.000 1.108 162 E HN 0.785 nan 8.360 nan 0.000 0.401 163 I N 5.451 126.046 120.570 0.041 0.000 2.418 163 I HA 0.281 4.451 4.170 -0.001 0.000 0.287 163 I C -0.596 175.524 176.117 0.005 0.000 1.008 163 I CA -0.866 60.429 61.300 -0.008 0.000 1.104 163 I CB 1.495 39.478 38.000 -0.027 0.000 1.264 163 I HN 0.457 nan 8.210 nan 0.000 0.438 164 L N 5.627 126.845 121.223 -0.008 0.000 2.325 164 L HA 0.875 5.215 4.340 -0.001 0.000 0.279 164 L C 0.298 177.156 176.870 -0.020 0.000 1.054 164 L CA 0.314 55.161 54.840 0.012 0.000 0.804 164 L CB 1.488 43.582 42.059 0.057 0.000 1.200 164 L HN 0.805 nan 8.230 nan 0.000 0.436 165 G N 3.943 112.739 108.800 -0.006 0.000 2.488 165 G HA2 0.408 4.367 3.960 -0.001 0.000 0.301 165 G HA3 0.408 4.367 3.960 -0.001 0.000 0.301 165 G C -1.870 173.017 174.900 -0.021 0.000 1.339 165 G CA -0.696 44.403 45.100 -0.003 0.000 0.803 165 G HN 0.452 nan 8.290 nan 0.000 0.482 166 I N 0.630 121.194 120.570 -0.011 0.000 2.404 166 I HA 0.378 4.547 4.170 -0.001 0.000 0.293 166 I C 0.044 176.154 176.117 -0.011 0.000 0.992 166 I CA -1.058 60.220 61.300 -0.037 0.000 1.149 166 I CB 2.099 40.072 38.000 -0.045 0.000 1.315 166 I HN 0.172 nan 8.210 nan 0.000 0.446 167 V N 7.224 127.125 119.914 -0.022 0.000 2.508 167 V HA 0.298 4.417 4.120 -0.001 0.000 0.281 167 V C 0.270 176.360 176.094 -0.007 0.000 1.041 167 V CA -0.193 62.101 62.300 -0.009 0.000 1.016 167 V CB 0.398 32.212 31.823 -0.015 0.000 0.984 167 V HN 0.661 nan 8.190 nan 0.000 0.478 168 R N 3.243 123.748 120.500 0.009 0.000 2.507 168 R HA 0.384 4.723 4.340 -0.001 0.000 0.298 168 R C -0.169 176.141 176.300 0.015 0.000 1.087 168 R CA -0.480 55.627 56.100 0.013 0.000 0.917 168 R CB 1.640 31.958 30.300 0.029 0.000 1.173 168 R HN 0.799 nan 8.270 nan 0.000 0.472 169 S N 1.973 117.677 115.700 0.006 0.000 3.436 169 S HA -0.271 4.198 4.470 -0.001 0.000 0.393 169 S C 0.841 175.446 174.600 0.007 0.000 0.914 169 S CA 0.830 59.033 58.200 0.005 0.000 1.317 169 S CB -1.002 62.204 63.200 0.009 0.000 0.920 169 S HN 1.110 nan 8.310 nan 0.000 0.564 170 A N -0.972 121.849 122.820 0.003 0.000 2.829 170 A HA -0.214 4.105 4.320 -0.001 0.000 0.267 170 A C 0.601 178.191 177.584 0.011 0.000 1.370 170 A CA 1.751 53.790 52.037 0.003 0.000 0.900 170 A CB -2.041 16.959 19.000 0.000 0.000 1.044 170 A HN 1.081 nan 8.150 nan 0.000 0.691 171 T N -0.366 114.199 114.554 0.018 0.000 2.861 171 T HA 0.566 4.915 4.350 -0.001 0.000 0.287 171 T C -0.460 174.256 174.700 0.026 0.000 1.003 171 T CA -0.291 61.825 62.100 0.028 0.000 0.977 171 T CB 1.533 70.428 68.868 0.045 0.000 0.996 171 T HN 0.890 nan 8.240 nan 0.000 0.448 172 L N 3.579 124.816 121.223 0.022 0.000 2.260 172 L HA 0.366 4.705 4.340 -0.001 0.000 0.289 172 L C -0.375 176.519 176.870 0.040 0.000 1.057 172 L CA -0.112 54.741 54.840 0.022 0.000 0.811 172 L CB 0.397 42.462 42.059 0.010 0.000 1.184 172 L HN 0.515 nan 8.230 nan 0.000 0.429 173 D N 5.809 126.255 120.400 0.076 0.000 2.365 173 D HA 0.242 4.881 4.640 -0.001 0.000 0.237 173 D C -0.032 176.360 176.300 0.153 0.000 1.190 173 D CA 0.068 54.176 54.000 0.179 0.000 0.867 173 D CB 1.355 42.282 40.800 0.212 0.000 1.050 173 D HN 0.727 nan 8.370 nan 0.000 0.491 174 A N 3.185 126.101 122.820 0.159 0.000 2.488 174 A HA 0.140 4.459 4.320 -0.001 0.000 0.249 174 A C 1.127 178.705 177.584 -0.010 0.000 1.083 174 A CA 0.032 52.077 52.037 0.014 0.000 0.768 174 A CB 0.374 19.333 19.000 -0.069 0.000 1.017 174 A HN 0.703 nan 8.150 nan 0.000 0.496 175 L N 0.888 122.034 121.223 -0.129 0.000 2.388 175 L HA 0.226 4.565 4.340 -0.001 0.000 0.209 175 L C 0.728 177.392 176.870 -0.342 0.000 1.061 175 L CA 0.543 55.327 54.840 -0.094 0.000 0.834 175 L CB -0.023 42.062 42.059 0.043 0.000 1.029 175 L HN 0.919 nan 8.230 nan 0.000 0.473 176 E N -1.102 118.832 120.200 -0.443 0.000 2.412 176 E HA 0.562 4.911 4.350 -0.001 0.000 0.279 176 E C -1.433 174.890 176.600 -0.462 0.000 0.984 176 E CA -0.805 55.296 56.400 -0.500 0.000 0.788 176 E CB 2.704 32.245 29.700 -0.264 0.000 1.277 176 E HN -0.289 nan 8.360 nan 0.000 0.455 177 V N 1.744 121.396 119.914 -0.436 0.000 2.531 177 V HA 0.310 4.429 4.120 -0.001 0.000 0.301 177 V C -1.023 174.860 176.094 -0.352 0.000 1.034 177 V CA -0.746 61.389 62.300 -0.274 0.000 0.865 177 V CB 1.571 33.331 31.823 -0.105 0.000 0.995 177 V HN 0.629 nan 8.190 nan 0.000 0.424 178 H N 3.707 122.783 119.070 0.010 0.000 2.587 178 H HA 0.359 4.914 4.556 -0.001 0.000 0.325 178 H C -0.113 175.228 175.328 0.022 0.000 1.012 178 H CA -0.638 55.422 56.048 0.020 0.000 1.213 178 H CB 1.893 31.667 29.762 0.020 0.000 1.431 178 H HN 0.531 nan 8.280 nan 0.000 0.492 179 K N 3.057 123.532 120.400 0.124 0.000 2.401 179 K HA 0.062 4.381 4.320 -0.001 0.000 0.278 179 K C -0.221 176.427 176.600 0.081 0.000 1.018 179 K CA -0.141 56.195 56.287 0.081 0.000 0.981 179 K CB 0.482 33.017 32.500 0.059 0.000 0.933 179 K HN 0.446 nan 8.250 nan 0.000 0.477 180 K N 2.264 122.699 120.400 0.059 0.000 2.352 180 K HA 0.262 4.581 4.320 -0.001 0.000 0.240 180 K C -0.829 175.789 176.600 0.029 0.000 1.017 180 K CA -0.838 55.477 56.287 0.046 0.000 0.851 180 K CB 0.976 33.503 32.500 0.046 0.000 1.261 180 K HN 0.631 nan 8.250 nan 0.000 0.451 181 D N 1.605 122.017 120.400 0.019 0.000 2.419 181 D HA 0.011 4.650 4.640 -0.001 0.000 0.236 181 D C -1.538 174.764 176.300 0.004 0.000 1.165 181 D CA -1.139 52.864 54.000 0.004 0.000 0.882 181 D CB 0.223 41.018 40.800 -0.008 0.000 1.201 181 D HN 0.099 nan 8.370 nan 0.000 0.443 182 P HA -0.012 nan 4.420 nan 0.000 0.225 182 P C 0.205 177.502 177.300 -0.006 0.000 1.148 182 P CA 0.892 63.991 63.100 -0.001 0.000 0.779 182 P CB 0.098 31.795 31.700 -0.006 0.000 0.780 183 I N -5.926 114.635 120.570 -0.015 0.000 2.740 183 I HA 0.638 4.807 4.170 -0.001 0.000 0.303 183 I C -2.906 173.201 176.117 -0.016 0.000 1.044 183 I CA -3.556 57.732 61.300 -0.019 0.000 1.064 183 I CB 1.772 39.749 38.000 -0.038 0.000 1.249 183 I HN -0.428 nan 8.210 nan 0.000 0.433 184 P HA 0.109 nan 4.420 nan 0.000 0.266 184 P C -1.063 176.223 177.300 -0.023 0.000 1.195 184 P CA 0.086 63.185 63.100 -0.001 0.000 0.768 184 P CB 0.399 32.106 31.700 0.012 0.000 0.838 185 E N 0.688 120.866 120.200 -0.035 0.000 2.313 185 E HA 0.308 4.657 4.350 -0.001 0.000 0.276 185 E C -0.646 175.856 176.600 -0.164 0.000 1.031 185 E CA -0.641 55.681 56.400 -0.131 0.000 0.857 185 E CB 0.860 30.480 29.700 -0.135 0.000 1.040 185 E HN 0.119 nan 8.360 nan 0.000 0.408 186 V N 4.331 124.128 119.914 -0.195 0.000 2.448 186 V HA 0.150 4.269 4.120 -0.001 0.000 0.295 186 V C -0.608 175.380 176.094 -0.177 0.000 1.025 186 V CA -0.705 61.557 62.300 -0.063 0.000 0.859 186 V CB 1.270 33.182 31.823 0.147 0.000 0.988 186 V HN 0.666 nan 8.190 nan 0.000 0.431 187 H N 5.278 124.443 119.070 0.157 0.000 2.736 187 H HA 0.354 4.909 4.556 -0.002 0.000 0.271 187 H C -2.296 173.064 175.328 0.053 0.000 1.184 187 H CA -1.662 54.465 56.048 0.131 0.000 1.378 187 H CB 1.307 31.123 29.762 0.089 0.000 1.428 187 H HN 0.509 nan 8.280 nan 0.000 0.500 188 P HA 0.017 nan 4.420 nan 0.000 0.275 188 P C 0.044 177.283 177.300 -0.101 0.000 1.228 188 P CA -0.340 62.675 63.100 -0.143 0.000 0.786 188 P CB 1.381 32.786 31.700 -0.492 0.000 0.927 189 D N 2.413 122.740 120.400 -0.121 0.000 2.411 189 D HA 0.139 4.778 4.640 -0.001 0.000 0.251 189 D C -1.926 174.299 176.300 -0.125 0.000 1.201 189 D CA -1.951 51.996 54.000 -0.089 0.000 0.996 189 D CB -0.849 39.911 40.800 -0.067 0.000 1.101 189 D HN 0.066 nan 8.370 nan 0.000 0.504 190 P HA -0.107 nan 4.420 nan 0.000 0.215 190 P C 1.215 178.452 177.300 -0.104 0.000 1.153 190 P CA 2.490 65.543 63.100 -0.078 0.000 0.853 190 P CB -0.112 31.561 31.700 -0.046 0.000 0.788 191 A N -0.246 122.512 122.820 -0.104 0.000 1.902 191 A HA -0.240 4.079 4.320 -0.001 0.000 0.217 191 A C 2.341 179.822 177.584 -0.171 0.000 1.181 191 A CA 1.772 53.745 52.037 -0.106 0.000 0.623 191 A CB -1.255 17.696 19.000 -0.081 0.000 0.818 191 A HN 0.189 nan 8.150 nan 0.000 0.443 192 E N -0.772 119.273 120.200 -0.258 0.000 2.072 192 E HA -0.157 4.193 4.350 -0.001 0.000 0.190 192 E C 1.901 178.059 176.600 -0.737 0.000 0.982 192 E CA 0.979 57.096 56.400 -0.472 0.000 0.803 192 E CB -0.163 29.221 29.700 -0.528 0.000 0.755 192 E HN 0.384 nan 8.360 nan 0.000 0.453 193 L N 1.736 122.618 121.223 -0.568 0.000 2.043 193 L HA -0.227 4.112 4.340 -0.001 0.000 0.212 193 L C 2.231 179.007 176.870 -0.156 0.000 1.075 193 L CA 2.036 56.633 54.840 -0.406 0.000 0.752 193 L CB -0.563 41.377 42.059 -0.199 0.000 0.891 193 L HN 0.142 nan 8.230 nan 0.000 0.432 194 E N -0.024 120.103 120.200 -0.122 0.000 2.077 194 E HA -0.227 4.123 4.350 -0.001 0.000 0.193 194 E C 2.037 178.638 176.600 0.001 0.000 0.989 194 E CA 1.753 58.131 56.400 -0.037 0.000 0.800 194 E CB -0.178 29.497 29.700 -0.041 0.000 0.746 194 E HN 0.621 nan 8.360 nan 0.000 0.452 195 E N -0.735 119.442 120.200 -0.039 0.000 2.058 195 E HA -0.183 4.166 4.350 -0.001 0.000 0.194 195 E C 1.974 178.708 176.600 0.225 0.000 0.997 195 E CA 1.082 57.509 56.400 0.045 0.000 0.801 195 E CB -0.320 29.390 29.700 0.018 0.000 0.746 195 E HN 0.282 nan 8.360 nan 0.000 0.450 196 F N 1.113 121.105 119.950 0.070 0.000 2.095 196 F HA -0.166 4.361 4.527 -0.001 0.000 0.298 196 F C 2.573 178.513 175.800 0.233 0.000 1.104 196 F CA 1.161 59.302 58.000 0.235 0.000 1.232 196 F CB -0.958 38.125 39.000 0.139 0.000 0.987 196 F HN -0.041 nan 8.300 nan 0.000 0.475 197 R N 0.877 121.573 120.500 0.325 0.000 2.096 197 R HA -0.149 4.190 4.340 -0.001 0.000 0.235 197 R C 1.980 178.367 176.300 0.145 0.000 1.127 197 R CA 1.654 57.883 56.100 0.214 0.000 0.968 197 R CB -0.676 29.707 30.300 0.139 0.000 0.861 197 R HN 0.361 nan 8.270 nan 0.000 0.440 198 E N -0.345 119.920 120.200 0.108 0.000 2.077 198 E HA -0.194 4.155 4.350 -0.001 0.000 0.193 198 E C 1.783 178.401 176.600 0.031 0.000 0.989 198 E CA 1.293 57.726 56.400 0.054 0.000 0.800 198 E CB -0.241 29.477 29.700 0.030 0.000 0.746 198 E HN 0.156 nan 8.360 nan 0.000 0.452 199 L N 1.109 122.346 121.223 0.023 0.000 2.017 199 L HA -0.142 4.197 4.340 -0.001 0.000 0.208 199 L C 2.233 179.074 176.870 -0.050 0.000 1.073 199 L CA 2.129 56.909 54.840 -0.100 0.000 0.745 199 L CB -0.905 40.950 42.059 -0.340 0.000 0.894 199 L HN 0.055 nan 8.230 nan 0.000 0.432 200 A N -0.847 122.031 122.820 0.096 0.000 1.917 200 A HA -0.268 4.051 4.320 -0.001 0.000 0.219 200 A C 2.012 179.621 177.584 0.043 0.000 1.182 200 A CA 2.126 54.243 52.037 0.135 0.000 0.633 200 A CB -0.908 18.218 19.000 0.210 0.000 0.819 200 A HN 0.566 nan 8.150 nan 0.000 0.448 201 D N -0.486 119.938 120.400 0.041 0.000 2.219 201 D HA -0.022 4.617 4.640 -0.001 0.000 0.205 201 D C 1.593 177.897 176.300 0.007 0.000 0.970 201 D CA 0.915 54.928 54.000 0.021 0.000 0.851 201 D CB -0.014 40.802 40.800 0.026 0.000 0.943 201 D HN 0.545 nan 8.370 nan 0.000 0.488 202 K N 0.028 120.426 120.400 -0.003 0.000 3.073 202 K HA 0.038 4.357 4.320 -0.001 0.000 0.232 202 K C 0.197 176.794 176.600 -0.005 0.000 1.135 202 K CA 0.025 56.306 56.287 -0.011 0.000 1.428 202 K CB 0.146 32.629 32.500 -0.028 0.000 1.921 202 K HN -0.157 nan 8.250 nan 0.000 0.546 203 D N 0.719 121.114 120.400 -0.010 0.000 2.400 203 D HA 0.183 4.822 4.640 -0.001 0.000 0.272 203 D C -2.107 174.199 176.300 0.011 0.000 1.220 203 D CA -2.090 51.916 54.000 0.011 0.000 0.897 203 D CB 1.011 41.816 40.800 0.007 0.000 1.134 203 D HN 0.007 nan 8.370 nan 0.000 0.507 204 P HA -0.100 nan 4.420 nan 0.000 0.221 204 P C 1.700 179.097 177.300 0.162 0.000 1.150 204 P CA 0.069 63.200 63.100 0.053 0.000 0.800 204 P CB 0.676 32.377 31.700 0.003 0.000 0.787 205 L N 0.473 121.756 121.223 0.099 0.000 2.012 205 L HA -0.120 4.220 4.340 -0.001 0.000 0.210 205 L C 2.175 179.109 176.870 0.107 0.000 1.073 205 L CA 2.361 57.265 54.840 0.107 0.000 0.748 205 L CB -1.774 40.348 42.059 0.106 0.000 0.891 205 L HN -0.084 nan 8.230 nan 0.000 0.431 206 T N -1.048 113.541 114.554 0.059 0.000 2.746 206 T HA -0.169 4.180 4.350 -0.001 0.000 0.267 206 T C 1.720 176.438 174.700 0.030 0.000 1.039 206 T CA 1.866 63.983 62.100 0.030 0.000 1.142 206 T CB -0.536 68.333 68.868 0.002 0.000 0.866 206 T HN 0.472 nan 8.240 nan 0.000 0.444 207 T N 1.648 116.212 114.554 0.016 0.000 2.652 207 T HA -0.068 4.281 4.350 -0.001 0.000 0.267 207 T C 1.607 176.268 174.700 -0.066 0.000 1.039 207 T CA 1.262 63.321 62.100 -0.068 0.000 1.153 207 T CB -0.599 68.178 68.868 -0.152 0.000 0.863 207 T HN 0.309 nan 8.240 nan 0.000 0.428 208 F N 1.413 121.361 119.950 -0.004 0.000 2.186 208 F HA 0.051 4.578 4.527 -0.001 0.000 0.299 208 F C 2.641 178.482 175.800 0.068 0.000 1.090 208 F CA 0.792 58.828 58.000 0.059 0.000 1.307 208 F CB -0.617 38.465 39.000 0.137 0.000 1.019 208 F HN 0.121 nan 8.300 nan 0.000 0.489 209 A N 0.061 123.012 122.820 0.218 0.000 1.902 209 A HA -0.210 4.109 4.320 -0.001 0.000 0.217 209 A C 2.187 179.831 177.584 0.099 0.000 1.181 209 A CA 1.773 53.887 52.037 0.128 0.000 0.623 209 A CB -0.599 18.436 19.000 0.059 0.000 0.818 209 A HN 0.270 nan 8.150 nan 0.000 0.443 210 R N -0.522 120.016 120.500 0.065 0.000 2.115 210 R HA 0.071 4.410 4.340 -0.001 0.000 0.226 210 R C 2.391 178.737 176.300 0.077 0.000 1.100 210 R CA 1.164 57.291 56.100 0.045 0.000 0.980 210 R CB -0.472 29.829 30.300 0.003 0.000 0.875 210 R HN 0.509 nan 8.270 nan 0.000 0.445 211 A N 0.676 123.542 122.820 0.077 0.000 1.902 211 A HA -0.153 4.166 4.320 -0.001 0.000 0.217 211 A C 2.083 179.918 177.584 0.419 0.000 1.181 211 A CA 1.370 53.509 52.037 0.169 0.000 0.623 211 A CB -0.472 18.534 19.000 0.010 0.000 0.818 211 A HN 0.219 nan 8.150 nan 0.000 0.443 212 I N -1.325 119.438 120.570 0.322 0.000 2.277 212 I HA -0.023 4.146 4.170 -0.001 0.000 0.243 212 I C 1.291 177.596 176.117 0.313 0.000 1.094 212 I CA 1.115 62.625 61.300 0.351 0.000 1.393 212 I CB -0.012 38.124 38.000 0.228 0.000 1.078 212 I HN 0.308 nan 8.210 nan 0.000 0.417 213 A N 0.910 123.839 122.820 0.182 0.000 2.984 213 A HA 0.424 4.743 4.320 -0.001 0.000 0.320 213 A C -2.097 175.529 177.584 0.071 0.000 1.142 213 A CA -0.745 51.361 52.037 0.115 0.000 0.772 213 A CB -0.037 19.017 19.000 0.090 0.000 1.195 213 A HN -0.001 nan 8.150 nan 0.000 0.459 214 P HA 0.087 nan 4.420 nan 0.000 0.249 214 P C 0.294 177.607 177.300 0.020 0.000 1.229 214 P CA 0.173 63.292 63.100 0.033 0.000 0.788 214 P CB 0.113 31.827 31.700 0.024 0.000 1.072 215 L N 2.435 123.673 121.223 0.024 0.000 2.456 215 L HA 0.197 4.536 4.340 -0.001 0.000 0.272 215 L C -1.579 175.305 176.870 0.023 0.000 1.189 215 L CA -1.981 52.871 54.840 0.020 0.000 0.846 215 L CB -0.613 41.460 42.059 0.024 0.000 1.111 215 L HN -0.107 nan 8.230 nan 0.000 0.475 216 P HA -0.034 nan 4.420 nan 0.000 0.264 216 P C 0.749 178.071 177.300 0.038 0.000 1.183 216 P CA 0.744 63.858 63.100 0.024 0.000 0.763 216 P CB 0.682 32.395 31.700 0.021 0.000 0.807 217 G N 2.370 111.195 108.800 0.042 0.000 2.199 217 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.254 217 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.254 217 G C 0.733 175.672 174.900 0.065 0.000 0.982 217 G CA 0.230 45.369 45.100 0.066 0.000 0.632 217 G HN 0.833 nan 8.290 nan 0.000 0.529 218 A N 0.016 122.859 122.820 0.038 0.000 2.462 218 A HA 0.632 4.951 4.320 -0.001 0.000 0.261 218 A C 1.457 179.020 177.584 -0.035 0.000 1.323 218 A CA 1.452 53.504 52.037 0.024 0.000 0.913 218 A CB -0.101 18.925 19.000 0.042 0.000 1.028 218 A HN 0.566 nan 8.150 nan 0.000 0.511 219 E N 1.125 121.287 120.200 -0.064 0.000 2.038 219 E HA -0.209 4.140 4.350 -0.001 0.000 0.195 219 E C 1.623 178.102 176.600 -0.201 0.000 1.000 219 E CA 1.961 58.299 56.400 -0.103 0.000 0.803 219 E CB -0.084 29.561 29.700 -0.092 0.000 0.750 219 E HN 0.519 nan 8.360 nan 0.000 0.448 220 E N 0.072 120.037 120.200 -0.392 0.000 2.077 220 E HA -0.125 4.224 4.350 -0.001 0.000 0.193 220 E C 2.344 178.665 176.600 -0.464 0.000 0.989 220 E CA 1.205 57.216 56.400 -0.648 0.000 0.800 220 E CB -0.451 28.299 29.700 -1.583 0.000 0.746 220 E HN 0.239 nan 8.360 nan 0.000 0.452 221 V N 1.253 120.961 119.914 -0.343 0.000 2.255 221 V HA -0.221 3.898 4.120 -0.001 0.000 0.247 221 V C 2.481 178.535 176.094 -0.067 0.000 1.051 221 V CA 2.127 64.346 62.300 -0.135 0.000 1.018 221 V CB -1.247 30.566 31.823 -0.016 0.000 0.641 221 V HN 0.350 nan 8.190 nan 0.000 0.445 222 G N -0.328 108.445 108.800 -0.044 0.000 2.440 222 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.218 222 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.218 222 G C 1.665 176.573 174.900 0.012 0.000 1.154 222 G CA 1.062 46.171 45.100 0.016 0.000 0.767 222 G HN 0.495 nan 8.290 nan 0.000 0.552 223 K N -0.384 119.986 120.400 -0.049 0.000 2.057 223 K HA 0.056 4.375 4.320 -0.001 0.000 0.206 223 K C 2.706 179.283 176.600 -0.039 0.000 1.050 223 K CA 1.174 57.433 56.287 -0.047 0.000 0.935 223 K CB -0.241 32.195 32.500 -0.107 0.000 0.715 223 K HN 0.300 nan 8.250 nan 0.000 0.439 224 M N 0.794 120.356 119.600 -0.064 0.000 2.080 224 M HA -0.202 4.277 4.480 -0.001 0.000 0.260 224 M C 2.166 178.463 176.300 -0.004 0.000 1.068 224 M CA 1.708 56.985 55.300 -0.038 0.000 1.109 224 M CB -0.445 32.129 32.600 -0.043 0.000 1.342 224 M HN 0.124 nan 8.290 nan 0.000 0.405 225 L N -0.460 120.771 121.223 0.013 0.000 2.093 225 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 225 L C 2.875 179.788 176.870 0.071 0.000 1.085 225 L CA 0.963 55.828 54.840 0.041 0.000 0.755 225 L CB -1.100 40.992 42.059 0.057 0.000 0.904 225 L HN 0.307 nan 8.230 nan 0.000 0.435 226 A N 0.747 123.626 122.820 0.098 0.000 1.865 226 A HA -0.193 4.126 4.320 -0.001 0.000 0.217 226 A C 2.259 179.921 177.584 0.131 0.000 1.191 226 A CA 1.638 53.760 52.037 0.142 0.000 0.623 226 A CB -0.786 18.310 19.000 0.161 0.000 0.826 226 A HN 0.362 nan 8.150 nan 0.000 0.444 227 L N -0.891 120.371 121.223 0.066 0.000 2.141 227 L HA -0.214 4.125 4.340 -0.001 0.000 0.209 227 L C 2.859 179.766 176.870 0.062 0.000 1.094 227 L CA 1.560 56.436 54.840 0.060 0.000 0.763 227 L CB -0.526 41.536 42.059 0.005 0.000 0.908 227 L HN 0.620 nan 8.230 nan 0.000 0.437 228 Q N 0.709 120.526 119.800 0.028 0.000 2.077 228 Q HA -0.246 4.093 4.340 -0.001 0.000 0.206 228 Q C 2.367 178.359 176.000 -0.014 0.000 0.989 228 Q CA 1.746 57.547 55.803 -0.003 0.000 0.853 228 Q CB -0.137 28.599 28.738 -0.004 0.000 0.907 228 Q HN 0.508 nan 8.270 nan 0.000 0.418 229 L N -0.433 120.785 121.223 -0.008 0.000 2.042 229 L HA -0.191 4.148 4.340 -0.001 0.000 0.210 229 L C 1.944 178.673 176.870 -0.235 0.000 1.076 229 L CA 1.167 55.936 54.840 -0.119 0.000 0.749 229 L CB -0.320 41.647 42.059 -0.153 0.000 0.893 229 L HN 0.250 nan 8.230 nan 0.000 0.432 230 F N -0.725 119.130 119.950 -0.158 0.000 2.802 230 F HA -0.067 4.459 4.527 -0.002 0.000 0.300 230 F C 2.307 178.034 175.800 -0.121 0.000 1.168 230 F CA 0.699 58.601 58.000 -0.163 0.000 1.433 230 F CB -0.262 38.615 39.000 -0.204 0.000 1.115 230 F HN 0.112 nan 8.300 nan 0.000 0.582 231 S N -2.559 113.142 115.700 0.002 0.000 2.540 231 S HA 0.025 4.494 4.470 -0.001 0.000 0.218 231 S C 0.619 175.179 174.600 -0.067 0.000 0.977 231 S CA -0.367 57.811 58.200 -0.036 0.000 0.918 231 S CB -0.945 62.218 63.200 -0.063 0.000 0.806 231 S HN 0.151 nan 8.310 nan 0.000 0.496 232 C N 3.860 123.108 119.300 -0.086 0.000 2.773 232 C HA 0.568 5.027 4.460 -0.001 0.000 0.442 232 C C 0.672 175.618 174.990 -0.074 0.000 1.028 232 C CA -0.636 58.332 59.018 -0.083 0.000 1.164 232 C CB -2.374 25.305 27.740 -0.102 0.000 1.593 232 C HN 0.555 nan 8.230 nan 0.000 0.557 233 V N 0.639 120.519 119.914 -0.056 0.000 3.102 233 V HA 0.907 5.026 4.120 -0.001 0.000 0.312 233 V C 0.837 176.911 176.094 -0.034 0.000 1.135 233 V CA -0.023 62.248 62.300 -0.048 0.000 1.022 233 V CB 1.235 33.031 31.823 -0.045 0.000 1.056 233 V HN 0.469 nan 8.190 nan 0.000 0.436 234 G N 0.295 109.078 108.800 -0.029 0.000 2.418 234 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.217 234 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.217 234 G C 0.772 175.663 174.900 -0.014 0.000 1.158 234 G CA 0.746 45.836 45.100 -0.018 0.000 0.771 234 G HN 0.921 nan 8.290 nan 0.000 0.545 235 K N 1.341 121.730 120.400 -0.019 0.000 2.405 235 K HA -0.066 4.253 4.320 -0.001 0.000 0.276 235 K C 1.510 178.102 176.600 -0.013 0.000 1.099 235 K CA 0.370 56.647 56.287 -0.016 0.000 1.120 235 K CB 0.227 32.715 32.500 -0.019 0.000 0.877 235 K HN 0.255 nan 8.250 nan 0.000 0.472 236 N N 2.751 121.448 118.700 -0.005 0.000 2.061 236 N HA -0.237 4.502 4.740 -0.001 0.000 0.193 236 N C 1.085 176.597 175.510 0.003 0.000 1.030 236 N CA 2.313 55.365 53.050 0.005 0.000 0.856 236 N CB -0.095 38.398 38.487 0.009 0.000 1.023 236 N HN 0.567 nan 8.380 nan 0.000 0.424 237 S N -1.519 114.177 115.700 -0.007 0.000 2.607 237 S HA 0.100 4.569 4.470 -0.001 0.000 0.224 237 S C 1.130 175.710 174.600 -0.033 0.000 0.969 237 S CA 0.165 58.357 58.200 -0.013 0.000 0.927 237 S CB -0.034 63.158 63.200 -0.014 0.000 0.772 237 S HN 0.307 nan 8.310 nan 0.000 0.533 238 E N 1.438 121.613 120.200 -0.041 0.000 2.276 238 E HA 0.146 4.495 4.350 -0.001 0.000 0.193 238 E C 0.476 177.021 176.600 -0.091 0.000 0.983 238 E CA 0.186 56.553 56.400 -0.055 0.000 0.861 238 E CB 0.083 29.757 29.700 -0.043 0.000 0.817 238 E HN 0.588 nan 8.360 nan 0.000 0.485 239 R N 0.969 121.398 120.500 -0.119 0.000 2.490 239 R HA 0.331 4.670 4.340 -0.001 0.000 0.280 239 R C 0.010 176.070 176.300 -0.400 0.000 1.077 239 R CA -0.099 55.876 56.100 -0.207 0.000 1.065 239 R CB 0.717 30.918 30.300 -0.165 0.000 1.003 239 R HN -0.057 nan 8.270 nan 0.000 0.470 240 L N 3.598 124.595 121.223 -0.378 0.000 2.322 240 L HA 0.350 4.689 4.340 -0.001 0.000 0.279 240 L C -0.131 176.461 176.870 -0.463 0.000 1.036 240 L CA -0.644 53.975 54.840 -0.369 0.000 0.807 240 L CB 1.179 43.146 42.059 -0.152 0.000 1.226 240 L HN 0.460 nan 8.230 nan 0.000 0.433 241 H N 2.750 121.827 119.070 0.010 0.000 2.505 241 H HA 0.555 5.110 4.556 -0.001 0.000 0.338 241 H C -0.974 174.466 175.328 0.187 0.000 1.057 241 H CA -0.586 55.500 56.048 0.064 0.000 1.202 241 H CB 2.162 31.880 29.762 -0.074 0.000 1.466 241 H HN 0.186 nan 8.280 nan 0.000 0.499 242 V N 4.281 124.384 119.914 0.314 0.000 2.588 242 V HA 0.155 4.274 4.120 -0.001 0.000 0.304 242 V C -0.507 175.553 176.094 -0.056 0.000 1.042 242 V CA -0.822 61.537 62.300 0.097 0.000 0.877 242 V CB 2.599 34.427 31.823 0.008 0.000 0.996 242 V HN 0.427 nan 8.190 nan 0.000 0.425 243 L N 6.087 127.062 121.223 -0.414 0.000 2.280 243 L HA 0.583 4.922 4.340 -0.001 0.000 0.287 243 L C -0.618 176.003 176.870 -0.416 0.000 1.023 243 L CA 0.018 54.457 54.840 -0.669 0.000 0.819 243 L CB 1.124 42.449 42.059 -1.222 0.000 1.212 243 L HN 0.537 nan 8.230 nan 0.000 0.420 244 L N 5.635 126.694 121.223 -0.273 0.000 2.281 244 L HA 0.585 4.925 4.340 -0.001 0.000 0.285 244 L C 0.230 176.985 176.870 -0.192 0.000 1.074 244 L CA -0.454 54.276 54.840 -0.184 0.000 0.817 244 L CB 1.186 43.192 42.059 -0.088 0.000 1.168 244 L HN 0.826 nan 8.230 nan 0.000 0.434 245 A N 3.343 126.047 122.820 -0.193 0.000 2.328 245 A HA 0.804 5.123 4.320 -0.001 0.000 0.318 245 A C 0.132 177.734 177.584 0.030 0.000 1.347 245 A CA -0.104 51.867 52.037 -0.111 0.000 0.842 245 A CB 0.916 19.812 19.000 -0.173 0.000 1.148 245 A HN 0.844 nan 8.150 nan 0.000 0.499 246 G N 0.339 109.165 108.800 0.043 0.000 2.619 246 G HA2 0.487 4.446 3.960 -0.001 0.000 0.305 246 G HA3 0.487 4.446 3.960 -0.001 0.000 0.305 246 G C -1.410 173.553 174.900 0.105 0.000 1.330 246 G CA -0.615 44.561 45.100 0.127 0.000 0.789 246 G HN 0.354 nan 8.290 nan 0.000 0.487 247 Y N 1.037 121.372 120.300 0.058 0.000 2.578 247 Y HA 0.234 4.783 4.550 -0.001 0.000 0.339 247 Y C -0.932 175.006 175.900 0.064 0.000 1.231 247 Y CA -0.656 57.480 58.100 0.061 0.000 1.461 247 Y CB 0.795 39.290 38.460 0.058 0.000 1.323 247 Y HN 0.241 nan 8.280 nan 0.000 0.590 248 P HA -0.257 nan 4.420 nan 0.000 0.214 248 P C 1.851 179.260 177.300 0.182 0.000 1.163 248 P CA 1.666 64.882 63.100 0.193 0.000 0.889 248 P CB 0.093 31.940 31.700 0.246 0.000 0.790 249 V N -0.302 119.724 119.914 0.187 0.000 2.255 249 V HA -0.209 3.910 4.120 -0.001 0.000 0.247 249 V C 2.225 178.392 176.094 0.122 0.000 1.051 249 V CA 2.191 64.579 62.300 0.146 0.000 1.018 249 V CB -1.003 30.890 31.823 0.116 0.000 0.641 249 V HN -0.043 nan 8.190 nan 0.000 0.445 250 V N -0.689 119.298 119.914 0.121 0.000 2.453 250 V HA -0.222 3.897 4.120 -0.001 0.000 0.247 250 V C 2.497 178.648 176.094 0.095 0.000 1.048 250 V CA 2.513 64.871 62.300 0.096 0.000 1.049 250 V CB -0.349 31.526 31.823 0.087 0.000 0.672 250 V HN 0.813 nan 8.190 nan 0.000 0.457 251 C N -0.280 119.075 119.300 0.092 0.000 2.446 251 C HA -0.091 4.369 4.460 -0.001 0.000 0.277 251 C C 3.046 178.064 174.990 0.045 0.000 1.275 251 C CA 1.442 60.491 59.018 0.051 0.000 1.727 251 C CB -1.132 26.615 27.740 0.011 0.000 2.010 251 C HN 0.643 nan 8.230 nan 0.000 0.486 252 S N 0.254 115.994 115.700 0.067 0.000 2.368 252 S HA -0.179 4.290 4.470 -0.001 0.000 0.225 252 S C 1.978 176.677 174.600 0.165 0.000 1.030 252 S CA 1.180 59.445 58.200 0.109 0.000 0.999 252 S CB -0.404 62.914 63.200 0.197 0.000 0.844 252 S HN 0.653 nan 8.310 nan 0.000 0.459 253 E N 1.450 121.744 120.200 0.156 0.000 2.085 253 E HA -0.149 4.200 4.350 -0.001 0.000 0.194 253 E C 1.933 178.636 176.600 0.171 0.000 0.994 253 E CA 1.063 57.554 56.400 0.153 0.000 0.801 253 E CB -0.292 29.462 29.700 0.090 0.000 0.743 253 E HN 0.510 nan 8.360 nan 0.000 0.453 254 I N 0.439 121.093 120.570 0.140 0.000 2.142 254 I HA -0.315 3.854 4.170 -0.001 0.000 0.240 254 I C 2.500 178.706 176.117 0.148 0.000 1.078 254 I CA 0.712 62.109 61.300 0.162 0.000 1.343 254 I CB -0.303 37.767 38.000 0.116 0.000 1.046 254 I HN 0.115 nan 8.210 nan 0.000 0.405 255 L N -0.003 121.272 121.223 0.085 0.000 2.012 255 L HA -0.275 4.064 4.340 -0.001 0.000 0.210 255 L C 2.647 179.541 176.870 0.040 0.000 1.073 255 L CA 1.930 56.801 54.840 0.052 0.000 0.748 255 L CB -1.225 40.861 42.059 0.045 0.000 0.891 255 L HN 0.289 nan 8.230 nan 0.000 0.431 256 H N -2.154 116.950 119.070 0.057 0.000 2.353 256 H HA -0.179 4.376 4.556 -0.001 0.000 0.300 256 H C 2.291 177.611 175.328 -0.013 0.000 1.090 256 H CA 1.753 57.764 56.048 -0.061 0.000 1.327 256 H CB -0.241 29.430 29.762 -0.152 0.000 1.383 256 H HN 0.431 nan 8.280 nan 0.000 0.508 257 H N 0.945 120.076 119.070 0.101 0.000 2.290 257 H HA -0.095 4.460 4.556 -0.002 0.000 0.298 257 H C 2.346 177.716 175.328 0.070 0.000 1.087 257 H CA 1.821 57.935 56.048 0.110 0.000 1.291 257 H CB -0.398 29.444 29.762 0.133 0.000 1.369 257 H HN 0.002 nan 8.280 nan 0.000 0.492 258 V N 0.693 120.566 119.914 -0.070 0.000 2.255 258 V HA -0.263 3.856 4.120 -0.001 0.000 0.247 258 V C 2.900 178.944 176.094 -0.083 0.000 1.051 258 V CA 1.986 64.221 62.300 -0.110 0.000 1.018 258 V CB -0.720 31.100 31.823 -0.005 0.000 0.641 258 V HN 0.401 nan 8.190 nan 0.000 0.445 259 L N -0.318 120.882 121.223 -0.039 0.000 2.093 259 L HA -0.169 4.170 4.340 -0.001 0.000 0.208 259 L C 2.283 179.093 176.870 -0.101 0.000 1.085 259 L CA 1.525 56.346 54.840 -0.032 0.000 0.755 259 L CB -0.592 41.486 42.059 0.031 0.000 0.904 259 L HN 0.391 nan 8.230 nan 0.000 0.435 260 D N -1.529 118.739 120.400 -0.219 0.000 2.194 260 D HA -0.109 4.531 4.640 -0.001 0.000 0.204 260 D C 1.886 177.890 176.300 -0.493 0.000 0.964 260 D CA 1.180 54.923 54.000 -0.429 0.000 0.846 260 D CB 0.102 40.461 40.800 -0.735 0.000 0.962 260 D HN 0.367 nan 8.370 nan 0.000 0.490 261 H N -1.425 117.558 119.070 -0.145 0.000 3.058 261 H HA 0.339 4.894 4.556 -0.001 0.000 0.258 261 H C 1.645 176.923 175.328 -0.083 0.000 1.015 261 H CA 0.107 56.026 56.048 -0.213 0.000 1.210 261 H CB 1.478 30.896 29.762 -0.573 0.000 1.481 261 H HN 0.075 nan 8.280 nan 0.000 0.492 262 L N -0.401 120.836 121.223 0.024 0.000 2.758 262 L HA 0.406 4.745 4.340 -0.001 0.000 0.234 262 L C 0.930 177.831 176.870 0.051 0.000 1.049 262 L CA 0.066 54.969 54.840 0.105 0.000 0.908 262 L CB 0.466 42.603 42.059 0.131 0.000 1.362 262 L HN -0.029 nan 8.230 nan 0.000 0.499 263 A N 1.779 124.599 122.820 0.000 0.000 2.511 263 A HA 0.185 4.504 4.320 -0.001 0.000 0.242 263 A C -1.435 176.137 177.584 -0.019 0.000 1.069 263 A CA -0.708 51.317 52.037 -0.020 0.000 0.763 263 A CB -0.334 18.655 19.000 -0.018 0.000 1.001 263 A HN 0.094 nan 8.150 nan 0.000 0.498 264 P HA -0.041 nan 4.420 nan 0.000 0.223 264 P C 0.364 177.651 177.300 -0.020 0.000 1.151 264 P CA 1.019 64.096 63.100 -0.039 0.000 0.787 264 P CB 0.207 31.862 31.700 -0.075 0.000 0.788 265 R N -1.735 118.754 120.500 -0.018 0.000 2.824 265 R HA 0.527 4.866 4.340 -0.001 0.000 0.267 265 R C -1.642 174.658 176.300 0.000 0.000 1.035 265 R CA -0.224 55.873 56.100 -0.005 0.000 0.887 265 R CB 0.836 31.133 30.300 -0.006 0.000 1.262 265 R HN 0.153 nan 8.270 nan 0.000 0.487 266 G N 0.788 109.595 108.800 0.012 0.000 2.328 266 G HA2 0.434 4.393 3.960 -0.001 0.000 0.295 266 G HA3 0.434 4.393 3.960 -0.001 0.000 0.295 266 G C -2.043 172.880 174.900 0.038 0.000 1.413 266 G CA -0.256 44.857 45.100 0.022 0.000 0.817 266 G HN 0.512 nan 8.290 nan 0.000 0.546 267 V N 0.106 120.049 119.914 0.049 0.000 2.808 267 V HA 0.567 4.686 4.120 -0.001 0.000 0.308 267 V C -1.308 174.842 176.094 0.094 0.000 1.099 267 V CA -0.827 61.516 62.300 0.071 0.000 0.920 267 V CB 1.874 33.724 31.823 0.046 0.000 1.014 267 V HN 0.951 nan 8.190 nan 0.000 0.425 268 Y N 5.011 125.315 120.300 0.006 0.000 2.330 268 Y HA 0.735 5.285 4.550 -0.001 0.000 0.336 268 Y C -0.251 175.656 175.900 0.012 0.000 1.036 268 Y CA -0.549 57.541 58.100 -0.017 0.000 1.125 268 Y CB 1.720 40.161 38.460 -0.032 0.000 1.194 268 Y HN 0.575 nan 8.280 nan 0.000 0.469 269 V N 2.840 122.382 119.914 -0.620 0.000 2.789 269 V HA 0.444 4.564 4.120 -0.001 0.000 0.311 269 V C -1.146 174.542 176.094 -0.675 0.000 1.073 269 V CA -1.004 61.031 62.300 -0.441 0.000 0.921 269 V CB 1.911 33.640 31.823 -0.156 0.000 1.009 269 V HN 0.783 nan 8.190 nan 0.000 0.426 270 D N 2.892 123.141 120.400 -0.251 0.000 2.347 270 D HA 0.222 4.861 4.640 -0.001 0.000 0.235 270 D C 0.739 177.033 176.300 -0.010 0.000 1.149 270 D CA -0.306 53.683 54.000 -0.019 0.000 0.850 270 D CB 1.649 42.567 40.800 0.196 0.000 1.061 270 D HN 0.634 nan 8.370 nan 0.000 0.487 271 L N 5.184 126.396 121.223 -0.019 0.000 2.127 271 L HA -0.135 4.204 4.340 -0.001 0.000 0.211 271 L C 2.143 178.985 176.870 -0.047 0.000 1.089 271 L CA 1.656 56.484 54.840 -0.020 0.000 0.757 271 L CB -0.149 41.894 42.059 -0.026 0.000 0.899 271 L HN 0.408 nan 8.230 nan 0.000 0.434 272 R N -0.909 119.574 120.500 -0.029 0.000 2.152 272 R HA -0.080 4.259 4.340 -0.001 0.000 0.232 272 R C 1.602 177.879 176.300 -0.038 0.000 1.117 272 R CA 1.203 57.266 56.100 -0.061 0.000 0.981 272 R CB -0.255 30.006 30.300 -0.065 0.000 0.870 272 R HN 0.366 nan 8.270 nan 0.000 0.451 273 R N -0.056 120.443 120.500 -0.002 0.000 2.427 273 R HA 0.124 4.463 4.340 -0.001 0.000 0.262 273 R C -0.333 175.988 176.300 0.034 0.000 0.943 273 R CA 0.169 56.280 56.100 0.018 0.000 1.081 273 R CB 0.981 31.305 30.300 0.041 0.000 1.166 273 R HN -0.047 nan 8.270 nan 0.000 0.534 274 T N 1.548 116.128 114.554 0.044 0.000 2.809 274 T HA 0.196 4.546 4.350 -0.001 0.000 0.296 274 T C -0.268 174.533 174.700 0.168 0.000 1.015 274 T CA -0.743 61.406 62.100 0.081 0.000 0.954 274 T CB 1.849 70.762 68.868 0.075 0.000 0.950 274 T HN -0.030 nan 8.240 nan 0.000 0.450 275 E N 1.945 122.213 120.200 0.114 0.000 2.392 275 E HA 0.087 4.436 4.350 -0.001 0.000 0.259 275 E C 1.249 177.864 176.600 0.025 0.000 1.108 275 E CA -0.524 55.946 56.400 0.117 0.000 0.916 275 E CB 0.940 30.669 29.700 0.048 0.000 0.989 275 E HN 0.406 nan 8.360 nan 0.000 0.432 276 L N 2.769 123.910 121.223 -0.138 0.000 2.013 276 L HA -0.243 4.096 4.340 -0.001 0.000 0.212 276 L C 2.153 178.917 176.870 -0.176 0.000 1.073 276 L CA 2.793 57.393 54.840 -0.399 0.000 0.753 276 L CB -1.137 40.687 42.059 -0.391 0.000 0.890 276 L HN 0.757 nan 8.230 nan 0.000 0.432 277 T N -4.786 109.716 114.554 -0.086 0.000 3.035 277 T HA -0.082 4.267 4.350 -0.001 0.000 0.268 277 T C 1.481 176.167 174.700 -0.025 0.000 1.109 277 T CA 0.870 62.943 62.100 -0.045 0.000 1.119 277 T CB -0.584 68.271 68.868 -0.021 0.000 0.900 277 T HN 0.352 nan 8.240 nan 0.000 0.503 278 D N 0.758 121.148 120.400 -0.017 0.000 2.269 278 D HA 0.056 4.696 4.640 -0.001 0.000 0.208 278 D C 1.757 178.055 176.300 -0.005 0.000 0.963 278 D CA 0.415 54.417 54.000 0.002 0.000 0.864 278 D CB 0.026 40.839 40.800 0.022 0.000 0.936 278 D HN 0.347 nan 8.370 nan 0.000 0.505 279 L N 0.146 121.350 121.223 -0.031 0.000 2.253 279 L HA 0.020 4.360 4.340 -0.001 0.000 0.205 279 L C 2.009 178.858 176.870 -0.035 0.000 1.078 279 L CA 1.293 56.113 54.840 -0.033 0.000 0.805 279 L CB -0.353 41.671 42.059 -0.058 0.000 0.963 279 L HN 0.032 nan 8.230 nan 0.000 0.459 280 T N -2.231 112.295 114.554 -0.048 0.000 3.535 280 T HA 0.724 5.073 4.350 -0.001 0.000 0.223 280 T C 0.573 175.263 174.700 -0.016 0.000 0.933 280 T CA 0.241 62.320 62.100 -0.033 0.000 1.445 280 T CB -0.245 68.596 68.868 -0.044 0.000 1.286 280 T HN 0.364 nan 8.240 nan 0.000 0.436 281 A N -0.492 122.319 122.820 -0.015 0.000 2.583 281 A HA 0.673 4.992 4.320 -0.001 0.000 0.292 281 A C -1.773 175.812 177.584 0.002 0.000 1.045 281 A CA -0.502 51.535 52.037 0.000 0.000 0.672 281 A CB 1.385 20.387 19.000 0.005 0.000 1.283 281 A HN 0.916 nan 8.150 nan 0.000 0.419 282 V N 1.265 121.189 119.914 0.016 0.000 2.540 282 V HA 0.748 4.867 4.120 -0.001 0.000 0.302 282 V C -1.415 174.703 176.094 0.040 0.000 1.035 282 V CA -0.673 61.639 62.300 0.021 0.000 0.873 282 V CB 1.390 33.225 31.823 0.020 0.000 0.992 282 V HN 1.219 nan 8.190 nan 0.000 0.428 283 L N 7.665 128.911 121.223 0.038 0.000 2.280 283 L HA 0.621 4.960 4.340 -0.001 0.000 0.287 283 L C -0.374 176.538 176.870 0.069 0.000 1.023 283 L CA 0.099 54.976 54.840 0.063 0.000 0.819 283 L CB 1.077 43.155 42.059 0.031 0.000 1.212 283 L HN 0.519 nan 8.230 nan 0.000 0.420 284 K N 4.454 124.913 120.400 0.097 0.000 2.244 284 K HA 0.430 4.749 4.320 -0.001 0.000 0.260 284 K C -0.967 175.699 176.600 0.110 0.000 0.951 284 K CA -0.621 55.714 56.287 0.079 0.000 0.826 284 K CB 1.910 34.443 32.500 0.057 0.000 1.108 284 K HN 0.513 nan 8.250 nan 0.000 0.433 285 E N 2.192 122.443 120.200 0.085 0.000 2.113 285 E HA 0.219 4.568 4.350 -0.001 0.000 0.273 285 E C -1.085 175.550 176.600 0.058 0.000 0.924 285 E CA -0.435 56.022 56.400 0.094 0.000 0.764 285 E CB 1.342 31.089 29.700 0.077 0.000 1.104 285 E HN 0.426 nan 8.360 nan 0.000 0.406 286 D N 2.785 123.214 120.400 0.049 0.000 2.312 286 D HA 0.014 4.653 4.640 -0.001 0.000 0.229 286 D C -0.184 176.116 176.300 0.000 0.000 1.337 286 D CA -0.432 53.579 54.000 0.018 0.000 0.964 286 D CB 0.297 41.099 40.800 0.004 0.000 1.456 286 D HN 0.494 nan 8.370 nan 0.000 0.547 287 R N 1.612 122.116 120.500 0.007 0.000 3.387 287 R HA -0.089 4.250 4.340 -0.001 0.000 0.254 287 R C 0.179 176.467 176.300 -0.020 0.000 1.006 287 R CA 1.371 57.469 56.100 -0.003 0.000 0.677 287 R CB -2.548 27.742 30.300 -0.016 0.000 1.063 287 R HN 1.104 nan 8.270 nan 0.000 0.453 288 G N -0.657 108.147 108.800 0.008 0.000 2.325 288 G HA2 0.176 4.135 3.960 -0.001 0.000 0.285 288 G HA3 0.176 4.135 3.960 -0.001 0.000 0.285 288 G C -1.367 173.569 174.900 0.060 0.000 1.303 288 G CA -0.516 44.562 45.100 -0.037 0.000 0.970 288 G HN 0.733 nan 8.290 nan 0.000 0.490 289 W N -0.571 120.731 121.300 0.004 0.000 3.032 289 W HA 0.844 5.503 4.660 -0.002 0.000 0.335 289 W C -0.428 176.093 176.519 0.004 0.000 1.154 289 W CA -1.246 56.100 57.345 0.002 0.000 1.204 289 W CB 1.589 31.051 29.460 0.003 0.000 1.416 289 W HN 1.675 nan 8.180 nan 0.000 0.521 290 A N 3.522 126.509 122.820 0.277 0.000 2.393 290 A HA 0.738 5.057 4.320 -0.001 0.000 0.306 290 A C -2.176 175.578 177.584 0.282 0.000 1.050 290 A CA -0.748 51.405 52.037 0.193 0.000 0.724 290 A CB 1.947 20.970 19.000 0.038 0.000 1.248 290 A HN 0.674 nan 8.150 nan 0.000 0.424 291 L N 2.056 123.460 121.223 0.302 0.000 2.343 291 L HA 0.708 5.047 4.340 -0.001 0.000 0.278 291 L C -0.129 176.816 176.870 0.125 0.000 0.996 291 L CA -0.227 54.733 54.840 0.199 0.000 0.831 291 L CB 1.327 43.507 42.059 0.202 0.000 1.232 291 L HN 0.769 nan 8.230 nan 0.000 0.413 292 R N 4.475 125.023 120.500 0.080 0.000 2.437 292 R HA 0.842 5.181 4.340 -0.001 0.000 0.310 292 R C -0.789 175.535 176.300 0.040 0.000 0.955 292 R CA -0.416 55.717 56.100 0.055 0.000 0.851 292 R CB 1.540 31.865 30.300 0.041 0.000 1.161 292 R HN 0.814 nan 8.270 nan 0.000 0.446 293 A N 3.049 125.891 122.820 0.037 0.000 2.488 293 A HA 0.433 4.752 4.320 -0.001 0.000 0.249 293 A C 0.394 177.990 177.584 0.021 0.000 1.083 293 A CA 0.215 52.268 52.037 0.027 0.000 0.768 293 A CB 0.558 19.574 19.000 0.028 0.000 1.017 293 A HN 0.913 nan 8.150 nan 0.000 0.496 294 G N -0.062 108.746 108.800 0.013 0.000 2.537 294 G HA2 0.498 4.457 3.960 -0.001 0.000 0.297 294 G HA3 0.498 4.457 3.960 -0.001 0.000 0.297 294 G C 1.141 176.047 174.900 0.010 0.000 1.310 294 G CA 0.104 45.209 45.100 0.008 0.000 1.027 294 G HN 1.278 nan 8.290 nan 0.000 0.505 295 A N -0.453 122.372 122.820 0.008 0.000 1.883 295 A HA 0.070 4.389 4.320 -0.001 0.000 0.217 295 A C 2.726 180.316 177.584 0.009 0.000 1.186 295 A CA 2.844 54.888 52.037 0.011 0.000 0.624 295 A CB -0.980 18.023 19.000 0.005 0.000 0.822 295 A HN 1.318 nan 8.150 nan 0.000 0.444 296 A N -0.770 122.052 122.820 0.003 0.000 1.933 296 A HA 0.036 4.355 4.320 -0.001 0.000 0.218 296 A C 2.227 179.816 177.584 0.008 0.000 1.175 296 A CA 1.748 53.787 52.037 0.004 0.000 0.628 296 A CB -0.840 18.158 19.000 -0.003 0.000 0.814 296 A HN 0.406 nan 8.150 nan 0.000 0.444 297 V N 0.109 120.028 119.914 0.008 0.000 2.358 297 V HA -0.221 3.898 4.120 -0.001 0.000 0.246 297 V C 2.455 178.558 176.094 0.015 0.000 1.047 297 V CA 1.817 64.124 62.300 0.011 0.000 1.035 297 V CB -0.740 31.089 31.823 0.011 0.000 0.658 297 V HN 0.569 nan 8.190 nan 0.000 0.452 298 L N 0.169 121.402 121.223 0.017 0.000 2.362 298 L HA -0.033 4.306 4.340 -0.001 0.000 0.219 298 L C 2.276 179.158 176.870 0.019 0.000 1.134 298 L CA 1.121 55.973 54.840 0.020 0.000 0.807 298 L CB -0.529 41.544 42.059 0.024 0.000 0.927 298 L HN 0.357 nan 8.230 nan 0.000 0.447 299 A N -1.127 121.703 122.820 0.018 0.000 2.275 299 A HA -0.029 4.290 4.320 -0.001 0.000 0.212 299 A C 0.472 178.065 177.584 0.015 0.000 1.201 299 A CA -0.293 51.754 52.037 0.018 0.000 0.843 299 A CB -0.468 18.544 19.000 0.020 0.000 0.873 299 A HN 0.298 nan 8.150 nan 0.000 0.492 300 D N -0.090 120.318 120.400 0.013 0.000 2.581 300 D HA 0.279 4.918 4.640 -0.001 0.000 0.238 300 D C 1.400 177.702 176.300 0.004 0.000 1.145 300 D CA 1.961 55.967 54.000 0.011 0.000 0.866 300 D CB -0.020 40.786 40.800 0.010 0.000 1.151 300 D HN 0.572 nan 8.370 nan 0.000 0.500 301 G N 1.987 110.787 108.800 0.000 0.000 2.179 301 G HA2 -0.118 3.841 3.960 -0.001 0.000 0.260 301 G HA3 -0.118 3.841 3.960 -0.001 0.000 0.260 301 G C 0.577 175.464 174.900 -0.021 0.000 0.977 301 G CA 0.298 45.390 45.100 -0.013 0.000 0.641 301 G HN 0.992 nan 8.290 nan 0.000 0.533 302 G N -1.209 107.585 108.800 -0.010 0.000 3.107 302 G HA2 0.644 4.603 3.960 -0.001 0.000 0.233 302 G HA3 0.644 4.603 3.960 -0.001 0.000 0.233 302 G C -0.835 174.064 174.900 -0.001 0.000 1.168 302 G CA -0.532 44.558 45.100 -0.016 0.000 0.801 302 G HN 0.441 nan 8.290 nan 0.000 0.605 303 I N 1.207 121.779 120.570 0.004 0.000 2.336 303 I HA 0.354 4.523 4.170 -0.001 0.000 0.292 303 I C -0.834 175.300 176.117 0.029 0.000 0.991 303 I CA -0.411 60.901 61.300 0.019 0.000 1.227 303 I CB 1.278 39.286 38.000 0.014 0.000 1.366 303 I HN 0.246 nan 8.210 nan 0.000 0.466 304 L N 7.174 128.420 121.223 0.039 0.000 2.259 304 L HA 0.554 4.893 4.340 -0.001 0.000 0.288 304 L C 0.252 177.132 176.870 0.016 0.000 1.051 304 L CA -0.140 54.715 54.840 0.026 0.000 0.824 304 L CB 0.873 42.947 42.059 0.025 0.000 1.206 304 L HN 0.668 nan 8.230 nan 0.000 0.429 305 A N 5.445 128.259 122.820 -0.010 0.000 2.310 305 A HA 0.591 4.910 4.320 -0.001 0.000 0.300 305 A C -0.546 176.925 177.584 -0.189 0.000 1.269 305 A CA -0.438 51.569 52.037 -0.049 0.000 0.909 305 A CB 0.271 19.286 19.000 0.025 0.000 1.144 305 A HN 0.510 nan 8.150 nan 0.000 0.540 306 V N 4.479 124.313 119.914 -0.132 0.000 2.275 306 V HA 0.176 4.295 4.120 -0.001 0.000 0.272 306 V C -0.303 175.684 176.094 -0.179 0.000 1.028 306 V CA -0.596 61.616 62.300 -0.147 0.000 0.810 306 V CB 0.801 32.623 31.823 -0.002 0.000 1.043 306 V HN 0.908 nan 8.190 nan 0.000 0.453 307 D N 2.857 123.060 120.400 -0.328 0.000 2.283 307 D HA 0.260 4.899 4.640 -0.001 0.000 0.248 307 D C 0.553 176.732 176.300 -0.201 0.000 1.072 307 D CA 0.171 53.968 54.000 -0.337 0.000 0.929 307 D CB 0.469 41.040 40.800 -0.382 0.000 1.182 307 D HN 0.662 nan 8.370 nan 0.000 0.433 308 H N 1.810 120.862 119.070 -0.031 0.000 2.750 308 H HA -0.178 4.377 4.556 -0.001 0.000 0.327 308 H C 1.009 176.317 175.328 -0.034 0.000 1.199 308 H CA 0.062 56.096 56.048 -0.023 0.000 1.149 308 H CB -1.426 28.327 29.762 -0.014 0.000 1.543 308 H HN 0.266 nan 8.280 nan 0.000 0.427 309 L N 1.244 122.487 121.223 0.033 0.000 2.376 309 L HA -0.043 4.296 4.340 -0.001 0.000 0.219 309 L C 1.490 178.382 176.870 0.036 0.000 1.133 309 L CA 1.160 56.029 54.840 0.048 0.000 0.816 309 L CB -0.107 42.007 42.059 0.092 0.000 0.933 309 L HN 0.408 nan 8.230 nan 0.000 0.449 310 E N 0.253 120.474 120.200 0.034 0.000 2.529 310 E HA 0.023 4.372 4.350 -0.001 0.000 0.259 310 E C 0.930 177.520 176.600 -0.017 0.000 0.966 310 E CA 0.683 57.093 56.400 0.016 0.000 0.937 310 E CB -0.301 29.410 29.700 0.019 0.000 0.923 310 E HN 0.362 nan 8.360 nan 0.000 0.468 311 G N 2.259 111.041 108.800 -0.030 0.000 2.198 311 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.260 311 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.260 311 G C 0.506 175.332 174.900 -0.124 0.000 1.025 311 G CA 0.234 45.293 45.100 -0.068 0.000 0.769 311 G HN 1.127 nan 8.290 nan 0.000 0.507 312 A N 0.434 123.174 122.820 -0.134 0.000 2.561 312 A HA 0.496 4.815 4.320 -0.001 0.000 0.251 312 A C -0.909 176.507 177.584 -0.281 0.000 1.062 312 A CA 0.115 52.020 52.037 -0.220 0.000 0.761 312 A CB 0.096 18.965 19.000 -0.217 0.000 0.986 312 A HN 0.308 nan 8.150 nan 0.000 0.510 313 P HA 0.079 nan 4.420 nan 0.000 0.269 313 P C 0.858 177.962 177.300 -0.328 0.000 1.215 313 P CA -0.284 62.648 63.100 -0.281 0.000 0.780 313 P CB 0.613 32.164 31.700 -0.248 0.000 0.898 314 E N 2.936 122.877 120.200 -0.431 0.000 2.070 314 E HA -0.216 4.133 4.350 -0.001 0.000 0.197 314 E C -0.801 175.166 176.600 -1.056 0.000 1.004 314 E CA 1.998 57.935 56.400 -0.772 0.000 0.805 314 E CB -1.294 27.910 29.700 -0.827 0.000 0.744 314 E HN 0.446 nan 8.360 nan 0.000 0.451 315 P HA -0.150 nan 4.420 nan 0.000 0.215 315 P C 0.501 177.667 177.300 -0.225 0.000 1.153 315 P CA 1.514 64.364 63.100 -0.417 0.000 0.853 315 P CB -0.032 31.559 31.700 -0.182 0.000 0.788 316 H N -0.826 118.079 119.070 -0.274 0.000 2.353 316 H HA -0.042 4.513 4.556 -0.002 0.000 0.300 316 H C 2.098 177.272 175.328 -0.257 0.000 1.090 316 H CA 1.388 57.313 56.048 -0.205 0.000 1.327 316 H CB -0.507 29.139 29.762 -0.193 0.000 1.383 316 H HN 0.062 nan 8.280 nan 0.000 0.508 317 R N -0.313 119.987 120.500 -0.334 0.000 2.073 317 R HA -0.164 4.175 4.340 -0.001 0.000 0.234 317 R C 1.913 178.110 176.300 -0.170 0.000 1.134 317 R CA 1.393 57.144 56.100 -0.582 0.000 0.952 317 R CB -0.309 29.422 30.300 -0.949 0.000 0.850 317 R HN 0.376 nan 8.270 nan 0.000 0.433 318 W N 0.802 121.999 121.300 -0.172 0.000 2.335 318 W HA -0.083 4.576 4.660 -0.002 0.000 0.311 318 W C 2.509 178.968 176.519 -0.100 0.000 1.213 318 W CA 0.755 58.032 57.345 -0.114 0.000 1.274 318 W CB -1.156 28.252 29.460 -0.088 0.000 1.148 318 W HN 0.205 nan 8.180 nan 0.000 0.498 319 A N 0.210 123.106 122.820 0.126 0.000 1.877 319 A HA -0.167 4.152 4.320 -0.001 0.000 0.216 319 A C 2.206 179.799 177.584 0.015 0.000 1.186 319 A CA 1.831 53.890 52.037 0.037 0.000 0.620 319 A CB -1.113 17.867 19.000 -0.034 0.000 0.822 319 A HN 0.238 nan 8.150 nan 0.000 0.443 320 L N -1.238 119.999 121.223 0.022 0.000 2.046 320 L HA -0.217 4.122 4.340 -0.001 0.000 0.208 320 L C 2.872 179.728 176.870 -0.022 0.000 1.077 320 L CA 1.590 56.450 54.840 0.032 0.000 0.747 320 L CB -0.469 41.683 42.059 0.155 0.000 0.896 320 L HN 0.421 nan 8.230 nan 0.000 0.432 321 M N -0.893 118.710 119.600 0.005 0.000 2.159 321 M HA -0.221 4.259 4.480 -0.001 0.000 0.263 321 M C 2.248 178.501 176.300 -0.078 0.000 1.063 321 M CA 1.588 56.801 55.300 -0.145 0.000 1.110 321 M CB -0.368 32.080 32.600 -0.253 0.000 1.374 321 M HN 0.236 nan 8.290 nan 0.000 0.411 322 E N 0.644 120.828 120.200 -0.027 0.000 2.051 322 E HA -0.195 4.154 4.350 -0.001 0.000 0.192 322 E C 1.992 178.578 176.600 -0.023 0.000 0.991 322 E CA 1.361 57.752 56.400 -0.015 0.000 0.799 322 E CB 0.027 29.723 29.700 -0.008 0.000 0.748 322 E HN 0.476 nan 8.360 nan 0.000 0.449 323 A N 0.670 123.467 122.820 -0.038 0.000 1.933 323 A HA -0.190 4.129 4.320 -0.001 0.000 0.218 323 A C 2.153 179.698 177.584 -0.065 0.000 1.175 323 A CA 1.715 53.728 52.037 -0.039 0.000 0.628 323 A CB -0.449 18.527 19.000 -0.040 0.000 0.814 323 A HN 0.285 nan 8.150 nan 0.000 0.444 324 M N -0.801 118.689 119.600 -0.182 0.000 2.123 324 M HA -0.093 4.386 4.480 -0.001 0.000 0.263 324 M C 1.437 177.730 176.300 -0.012 0.000 1.069 324 M CA 1.556 56.632 55.300 -0.373 0.000 1.133 324 M CB -0.332 31.836 32.600 -0.719 0.000 1.356 324 M HN 0.250 nan 8.290 nan 0.000 0.415 325 D N 0.309 120.723 120.400 0.022 0.000 2.137 325 D HA -0.044 4.596 4.640 -0.001 0.000 0.202 325 D C 1.565 177.898 176.300 0.054 0.000 0.970 325 D CA 1.215 55.263 54.000 0.079 0.000 0.837 325 D CB 0.045 40.911 40.800 0.110 0.000 0.981 325 D HN 0.305 nan 8.370 nan 0.000 0.475 326 K N -1.153 119.267 120.400 0.033 0.000 2.412 326 K HA 0.296 4.615 4.320 -0.001 0.000 0.202 326 K C 0.895 177.506 176.600 0.019 0.000 1.102 326 K CA 0.422 56.722 56.287 0.021 0.000 1.027 326 K CB 1.678 34.184 32.500 0.009 0.000 0.931 326 K HN 0.056 nan 8.250 nan 0.000 0.557 327 G N 2.691 111.506 108.800 0.024 0.000 2.198 327 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.260 327 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.260 327 G C 0.109 175.016 174.900 0.010 0.000 1.025 327 G CA 0.901 46.016 45.100 0.024 0.000 0.769 327 G HN 0.408 nan 8.290 nan 0.000 0.507 328 T N -3.516 111.039 114.554 0.002 0.000 2.901 328 T HA 0.845 5.194 4.350 -0.001 0.000 0.293 328 T C -0.187 174.509 174.700 -0.008 0.000 1.084 328 T CA -0.247 61.851 62.100 -0.003 0.000 1.008 328 T CB 2.740 71.603 68.868 -0.008 0.000 1.170 328 T HN 1.710 nan 8.240 nan 0.000 0.509 329 V N -1.187 118.721 119.914 -0.009 0.000 2.864 329 V HA 0.928 5.047 4.120 -0.001 0.000 0.314 329 V C -0.733 175.352 176.094 -0.016 0.000 1.073 329 V CA -0.625 61.667 62.300 -0.013 0.000 0.956 329 V CB 1.745 33.560 31.823 -0.013 0.000 1.023 329 V HN 1.131 nan 8.190 nan 0.000 0.435 330 T N 3.403 117.946 114.554 -0.019 0.000 2.848 330 T HA 0.632 4.981 4.350 -0.001 0.000 0.285 330 T C -0.872 173.814 174.700 -0.023 0.000 0.995 330 T CA -0.412 61.674 62.100 -0.024 0.000 0.970 330 T CB 1.476 70.326 68.868 -0.030 0.000 0.976 330 T HN 1.138 nan 8.240 nan 0.000 0.441 331 V N 3.680 123.578 119.914 -0.026 0.000 2.482 331 V HA 0.374 4.493 4.120 -0.001 0.000 0.295 331 V C -0.930 175.144 176.094 -0.032 0.000 1.026 331 V CA -0.547 61.739 62.300 -0.024 0.000 0.856 331 V CB 1.122 32.935 31.823 -0.018 0.000 1.001 331 V HN 0.978 nan 8.190 nan 0.000 0.424 332 D N 5.066 125.448 120.400 -0.030 0.000 2.689 332 D HA -0.184 4.455 4.640 -0.001 0.000 0.237 332 D C 1.203 177.473 176.300 -0.050 0.000 1.148 332 D CA 1.744 55.722 54.000 -0.037 0.000 0.656 332 D CB -1.200 39.579 40.800 -0.036 0.000 1.050 332 D HN 1.692 nan 8.370 nan 0.000 0.426 333 G N -0.854 107.917 108.800 -0.047 0.000 2.184 333 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.264 333 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.264 333 G C 0.410 175.275 174.900 -0.058 0.000 0.975 333 G CA 0.370 45.439 45.100 -0.052 0.000 0.642 333 G HN 0.554 nan 8.290 nan 0.000 0.536 334 I N 1.763 122.297 120.570 -0.061 0.000 2.297 334 I HA 0.563 4.732 4.170 -0.001 0.000 0.291 334 I C 0.804 176.894 176.117 -0.046 0.000 1.033 334 I CA -0.192 61.068 61.300 -0.065 0.000 1.253 334 I CB 1.524 39.476 38.000 -0.081 0.000 1.396 334 I HN 0.266 nan 8.210 nan 0.000 0.476 335 A N 8.301 131.097 122.820 -0.040 0.000 2.320 335 A HA 0.748 5.067 4.320 -0.001 0.000 0.287 335 A C -0.456 177.114 177.584 -0.023 0.000 1.181 335 A CA -0.320 51.700 52.037 -0.029 0.000 0.831 335 A CB 0.268 19.252 19.000 -0.027 0.000 1.102 335 A HN 0.699 nan 8.150 nan 0.000 0.513 336 L N 2.390 123.604 121.223 -0.016 0.000 2.342 336 L HA 0.355 4.694 4.340 -0.001 0.000 0.271 336 L C 0.118 176.987 176.870 -0.003 0.000 1.008 336 L CA -0.750 54.085 54.840 -0.008 0.000 0.818 336 L CB 1.832 43.889 42.059 -0.003 0.000 1.296 336 L HN 0.755 nan 8.230 nan 0.000 0.427 337 N N 1.083 119.783 118.700 0.001 0.000 2.483 337 N HA 0.370 5.109 4.740 -0.001 0.000 0.264 337 N C -0.284 175.230 175.510 0.006 0.000 1.197 337 N CA 0.031 53.083 53.050 0.004 0.000 0.927 337 N CB 0.797 39.287 38.487 0.006 0.000 1.065 337 N HN 0.706 nan 8.380 nan 0.000 0.461 338 A N 3.055 125.879 122.820 0.007 0.000 3.453 338 A HA 0.237 4.556 4.320 -0.001 0.000 0.262 338 A C -0.189 177.406 177.584 0.018 0.000 1.026 338 A CA -0.594 51.449 52.037 0.010 0.000 0.938 338 A CB 0.153 19.156 19.000 0.004 0.000 1.246 338 A HN 0.680 nan 8.150 nan 0.000 0.546 339 R N 1.004 121.516 120.500 0.019 0.000 4.071 339 R HA 0.270 4.609 4.340 -0.001 0.000 0.220 339 R C -0.072 176.248 176.300 0.034 0.000 1.614 339 R CA 0.012 56.128 56.100 0.027 0.000 1.505 339 R CB -0.452 29.855 30.300 0.013 0.000 1.384 339 R HN 0.727 nan 8.270 nan 0.000 0.758 340 C N -1.191 118.143 119.300 0.057 0.000 2.397 340 C HA 0.864 5.323 4.460 -0.001 0.000 0.343 340 C C 0.746 175.817 174.990 0.134 0.000 1.188 340 C CA -1.461 57.596 59.018 0.065 0.000 1.992 340 C CB 1.183 28.952 27.740 0.049 0.000 2.358 340 C HN 0.587 nan 8.230 nan 0.000 0.518 341 A N 2.242 125.118 122.820 0.094 0.000 2.276 341 A HA 0.604 4.923 4.320 -0.001 0.000 0.300 341 A C -0.207 177.496 177.584 0.198 0.000 1.235 341 A CA -0.312 51.793 52.037 0.114 0.000 0.867 341 A CB 0.111 19.103 19.000 -0.013 0.000 1.137 341 A HN 1.074 nan 8.150 nan 0.000 0.527 342 V N 4.138 124.302 119.914 0.417 0.000 2.408 342 V HA 0.183 4.302 4.120 -0.001 0.000 0.267 342 V C -0.185 176.053 176.094 0.238 0.000 1.047 342 V CA -0.166 62.275 62.300 0.235 0.000 0.937 342 V CB 0.833 32.707 31.823 0.085 0.000 0.999 342 V HN 0.723 nan 8.190 nan 0.000 0.472 343 L N 6.764 128.071 121.223 0.140 0.000 2.297 343 L HA 0.793 5.132 4.340 -0.001 0.000 0.277 343 L C 0.282 177.185 176.870 0.055 0.000 1.040 343 L CA -0.020 54.875 54.840 0.092 0.000 0.867 343 L CB 0.570 42.659 42.059 0.049 0.000 1.244 343 L HN 0.659 nan 8.230 nan 0.000 0.433 344 A N 3.993 126.848 122.820 0.057 0.000 2.294 344 A HA 0.976 5.295 4.320 -0.001 0.000 0.330 344 A C -0.607 176.908 177.584 -0.116 0.000 1.133 344 A CA -0.088 51.945 52.037 -0.006 0.000 0.836 344 A CB 1.274 20.320 19.000 0.077 0.000 1.190 344 A HN 1.004 nan 8.150 nan 0.000 0.492 345 A N 0.623 123.367 122.820 -0.126 0.000 2.393 345 A HA 0.747 5.066 4.320 -0.001 0.000 0.306 345 A C -0.956 176.550 177.584 -0.129 0.000 1.050 345 A CA -0.331 51.619 52.037 -0.145 0.000 0.724 345 A CB 0.914 19.825 19.000 -0.150 0.000 1.248 345 A HN 1.233 nan 8.150 nan 0.000 0.424 346 I N 1.604 122.107 120.570 -0.112 0.000 2.686 346 I HA 0.412 4.581 4.170 -0.001 0.000 0.295 346 I C -1.103 174.991 176.117 -0.038 0.000 1.114 346 I CA -0.714 60.549 61.300 -0.061 0.000 1.038 346 I CB 2.122 40.086 38.000 -0.061 0.000 1.238 346 I HN 0.675 nan 8.210 nan 0.000 0.420 347 N N 8.872 127.567 118.700 -0.008 0.000 2.500 347 N HA 0.439 5.178 4.740 -0.001 0.000 0.236 347 N C -2.351 173.133 175.510 -0.043 0.000 1.022 347 N CA -2.010 51.023 53.050 -0.029 0.000 0.935 347 N CB 0.968 39.455 38.487 -0.000 0.000 1.147 347 N HN 0.343 nan 8.380 nan 0.000 0.512 348 P HA 0.480 nan 4.420 nan 0.000 0.331 348 P C 0.129 177.382 177.300 -0.077 0.000 1.426 348 P CA 0.115 63.197 63.100 -0.030 0.000 0.880 348 P CB 0.220 31.930 31.700 0.018 0.000 2.175 349 G N -1.844 106.915 108.800 -0.070 0.000 2.323 349 G HA2 0.316 4.275 3.960 -0.001 0.000 0.291 349 G HA3 0.316 4.275 3.960 -0.001 0.000 0.291 349 G C -1.195 173.680 174.900 -0.042 0.000 1.278 349 G CA -0.410 44.634 45.100 -0.093 0.000 0.860 349 G HN 0.550 nan 8.290 nan 0.000 0.504 354 S N -0.093 115.600 115.700 -0.012 0.000 2.618 354 S HA 0.517 4.986 4.470 -0.001 0.000 0.242 354 S C 0.694 175.277 174.600 -0.028 0.000 0.972 354 S CA 1.079 59.268 58.200 -0.018 0.000 1.004 354 S CB -0.388 62.803 63.200 -0.014 0.000 0.778 354 S HN 1.226 nan 8.310 nan 0.000 0.459 355 D N 2.025 122.408 120.400 -0.028 0.000 2.383 355 D HA 0.580 5.219 4.640 -0.001 0.000 0.248 355 D C -2.510 173.754 176.300 -0.060 0.000 1.170 355 D CA -1.706 52.272 54.000 -0.036 0.000 0.977 355 D CB -0.213 40.572 40.800 -0.024 0.000 1.120 355 D HN 0.266 nan 8.370 nan 0.000 0.481 356 P HA 0.145 nan 4.420 nan 0.000 0.269 356 P C -2.026 175.176 177.300 -0.162 0.000 1.215 356 P CA -0.864 62.159 63.100 -0.130 0.000 0.780 356 P CB 0.595 32.219 31.700 -0.127 0.000 0.898 357 P HA -0.147 nan 4.420 nan 0.000 0.217 357 P C 1.685 178.873 177.300 -0.186 0.000 1.151 357 P CA 1.185 64.072 63.100 -0.355 0.000 0.849 357 P CB -0.155 31.034 31.700 -0.852 0.000 0.787 358 I N -1.307 119.152 120.570 -0.185 0.000 2.546 358 I HA -0.166 4.003 4.170 -0.001 0.000 0.255 358 I C 1.895 178.074 176.117 0.102 0.000 1.163 358 I CA 0.902 62.286 61.300 0.139 0.000 1.457 358 I CB -0.185 37.928 38.000 0.190 0.000 1.092 358 I HN -0.128 nan 8.210 nan 0.000 0.434 359 A N 0.589 123.424 122.820 0.024 0.000 2.067 359 A HA -0.148 4.171 4.320 -0.001 0.000 0.219 359 A C 2.223 179.829 177.584 0.037 0.000 1.158 359 A CA 1.087 53.140 52.037 0.027 0.000 0.661 359 A CB -0.498 18.501 19.000 -0.002 0.000 0.801 359 A HN 0.423 nan 8.150 nan 0.000 0.452 360 R N -0.673 119.851 120.500 0.040 0.000 2.275 360 R HA 0.208 4.548 4.340 -0.001 0.000 0.199 360 R C -0.270 176.067 176.300 0.061 0.000 0.989 360 R CA 0.084 56.208 56.100 0.040 0.000 1.016 360 R CB -0.130 30.188 30.300 0.029 0.000 0.918 360 R HN 0.450 nan 8.270 nan 0.000 0.473 361 I N 3.490 124.117 120.570 0.096 0.000 2.421 361 I HA -0.050 4.119 4.170 -0.001 0.000 0.291 361 I C 0.191 176.354 176.117 0.077 0.000 1.089 361 I CA -0.179 61.176 61.300 0.092 0.000 1.354 361 I CB 0.476 38.549 38.000 0.122 0.000 1.413 361 I HN 0.087 nan 8.210 nan 0.000 0.513 362 D N 9.184 129.618 120.400 0.057 0.000 2.483 362 D HA 0.296 4.935 4.640 -0.001 0.000 0.220 362 D C -0.670 175.672 176.300 0.070 0.000 1.173 362 D CA -0.012 54.019 54.000 0.052 0.000 0.964 362 D CB 0.727 41.544 40.800 0.027 0.000 1.046 362 D HN 0.379 nan 8.370 nan 0.000 0.517 363 L N 1.661 122.947 121.223 0.106 0.000 2.506 363 L HA 0.178 4.517 4.340 -0.001 0.000 0.257 363 L C -0.124 176.850 176.870 0.174 0.000 0.964 363 L CA -1.153 53.785 54.840 0.163 0.000 0.836 363 L CB 2.567 44.788 42.059 0.271 0.000 1.384 363 L HN 0.307 nan 8.230 nan 0.000 0.410 364 D N 1.636 122.145 120.400 0.182 0.000 2.382 364 D HA -0.001 4.638 4.640 -0.001 0.000 0.240 364 D C 0.333 176.764 176.300 0.218 0.000 1.146 364 D CA -0.300 53.802 54.000 0.169 0.000 0.897 364 D CB 1.382 42.267 40.800 0.141 0.000 1.197 364 D HN 0.595 nan 8.370 nan 0.000 0.432 365 Q N 0.463 120.366 119.800 0.171 0.000 2.096 365 Q HA -0.227 4.112 4.340 -0.001 0.000 0.204 365 Q C 1.470 177.592 176.000 0.203 0.000 0.982 365 Q CA 2.022 57.926 55.803 0.168 0.000 0.850 365 Q CB -0.171 28.642 28.738 0.125 0.000 0.901 365 Q HN 0.652 nan 8.270 nan 0.000 0.422 366 D N 0.130 120.663 120.400 0.222 0.000 2.097 366 D HA -0.199 4.440 4.640 -0.001 0.000 0.195 366 D C 1.537 178.079 176.300 0.403 0.000 0.989 366 D CA 0.966 55.127 54.000 0.269 0.000 0.827 366 D CB -0.185 40.765 40.800 0.250 0.000 0.966 366 D HN 0.185 nan 8.370 nan 0.000 0.456 367 F N 0.435 120.511 119.950 0.210 0.000 2.102 367 F HA -0.073 4.454 4.527 -0.002 0.000 0.298 367 F C 2.019 177.993 175.800 0.290 0.000 1.105 367 F CA 0.914 59.017 58.000 0.171 0.000 1.239 367 F CB -0.714 38.342 39.000 0.092 0.000 0.991 367 F HN 0.081 nan 8.300 nan 0.000 0.474 368 L N 0.494 121.849 121.223 0.219 0.000 2.127 368 L HA -0.182 4.157 4.340 -0.001 0.000 0.211 368 L C 2.682 179.680 176.870 0.213 0.000 1.089 368 L CA 2.078 57.037 54.840 0.199 0.000 0.757 368 L CB -1.082 41.106 42.059 0.216 0.000 0.899 368 L HN 0.375 nan 8.230 nan 0.000 0.434 369 S N -2.687 113.122 115.700 0.181 0.000 2.547 369 S HA -0.174 4.295 4.470 -0.001 0.000 0.235 369 S C 1.692 176.278 174.600 -0.023 0.000 0.980 369 S CA 0.796 59.062 58.200 0.109 0.000 0.941 369 S CB -0.796 62.445 63.200 0.069 0.000 0.763 369 S HN 0.611 nan 8.310 nan 0.000 0.532 370 H N -0.164 118.827 119.070 -0.131 0.000 2.547 370 H HA 0.358 4.913 4.556 -0.002 0.000 0.272 370 H C -0.296 174.826 175.328 -0.344 0.000 0.989 370 H CA 0.226 56.111 56.048 -0.272 0.000 1.214 370 H CB -0.138 29.358 29.762 -0.444 0.000 1.389 370 H HN 0.435 nan 8.280 nan 0.000 0.577 371 F N 0.825 120.738 119.950 -0.061 0.000 2.410 371 F HA 0.066 4.592 4.527 -0.002 0.000 0.348 371 F C 1.376 177.139 175.800 -0.061 0.000 1.106 371 F CA -0.418 57.541 58.000 -0.070 0.000 1.163 371 F CB 1.030 39.928 39.000 -0.169 0.000 1.129 371 F HN 0.131 nan 8.300 nan 0.000 0.516 372 D N 2.614 123.088 120.400 0.123 0.000 2.144 372 D HA -0.053 4.586 4.640 -0.001 0.000 0.200 372 D C 0.221 176.467 176.300 -0.091 0.000 0.978 372 D CA 1.531 55.554 54.000 0.039 0.000 0.833 372 D CB 0.306 41.110 40.800 0.007 0.000 0.961 372 D HN 0.247 nan 8.370 nan 0.000 0.470 373 L N 0.426 121.513 121.223 -0.227 0.000 2.445 373 L HA 0.438 4.777 4.340 -0.001 0.000 0.262 373 L C -0.810 175.660 176.870 -0.668 0.000 0.974 373 L CA -0.577 53.912 54.840 -0.586 0.000 0.822 373 L CB 3.011 44.941 42.059 -0.216 0.000 1.339 373 L HN -0.243 nan 8.230 nan 0.000 0.409 374 I N 2.033 121.968 120.570 -1.057 0.000 2.378 374 I HA 0.567 4.736 4.170 -0.001 0.000 0.291 374 I C 0.039 175.898 176.117 -0.431 0.000 0.992 374 I CA -0.587 60.303 61.300 -0.682 0.000 1.154 374 I CB 1.994 39.594 38.000 -0.666 0.000 1.315 374 I HN 0.643 nan 8.210 nan 0.000 0.448 375 A N 7.152 129.780 122.820 -0.321 0.000 2.341 375 A HA 0.596 4.916 4.320 -0.001 0.000 0.326 375 A C -0.722 176.812 177.584 -0.084 0.000 1.402 375 A CA -0.316 51.734 52.037 0.022 0.000 0.957 375 A CB -0.354 18.679 19.000 0.056 0.000 1.151 375 A HN 0.566 nan 8.150 nan 0.000 0.533 376 F N 3.587 123.667 119.950 0.216 0.000 2.434 376 F HA 0.267 4.793 4.527 -0.002 0.000 0.358 376 F C 0.554 176.472 175.800 0.197 0.000 1.136 376 F CA -0.134 57.942 58.000 0.126 0.000 1.157 376 F CB 0.451 39.462 39.000 0.020 0.000 1.167 376 F HN 0.378 nan 8.300 nan 0.000 0.539 377 L N 2.950 124.344 121.223 0.286 0.000 2.439 377 L HA 0.337 4.676 4.340 -0.001 0.000 0.269 377 L C 1.421 178.439 176.870 0.246 0.000 1.179 377 L CA 0.115 55.106 54.840 0.251 0.000 0.828 377 L CB 0.314 42.485 42.059 0.187 0.000 1.106 377 L HN 0.933 nan 8.230 nan 0.000 0.467 378 G N 1.336 110.263 108.800 0.211 0.000 2.212 378 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.266 378 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.266 378 G C 0.309 175.310 174.900 0.167 0.000 0.978 378 G CA -0.003 45.198 45.100 0.170 0.000 0.632 378 G HN 0.658 nan 8.290 nan 0.000 0.537 395 S N -0.959 114.628 115.700 -0.188 0.000 2.558 395 S HA 0.037 4.507 4.470 -0.001 0.000 0.293 395 S C 0.697 175.186 174.600 -0.184 0.000 1.292 395 S CA 0.090 58.211 58.200 -0.132 0.000 1.063 395 S CB -0.235 62.944 63.200 -0.034 0.000 0.831 395 S HN 0.369 nan 8.310 nan 0.000 0.499 396 Y N 3.037 123.322 120.300 -0.026 0.000 2.333 396 Y HA -0.104 4.445 4.550 -0.001 0.000 0.290 396 Y C 2.766 178.689 175.900 0.039 0.000 1.144 396 Y CA 1.675 59.774 58.100 -0.003 0.000 1.228 396 Y CB -0.568 37.903 38.460 0.018 0.000 0.985 396 Y HN 0.681 nan 8.280 nan 0.000 0.542 397 T N 0.515 115.172 114.554 0.171 0.000 2.652 397 T HA -0.236 4.113 4.350 -0.001 0.000 0.267 397 T C 1.917 176.704 174.700 0.146 0.000 1.039 397 T CA 1.591 63.777 62.100 0.143 0.000 1.153 397 T CB -0.654 68.280 68.868 0.109 0.000 0.863 397 T HN 0.216 nan 8.240 nan 0.000 0.428 398 L N 0.960 122.248 121.223 0.108 0.000 1.994 398 L HA 0.011 4.351 4.340 -0.001 0.000 0.208 398 L C 2.239 179.199 176.870 0.151 0.000 1.071 398 L CA 1.613 56.546 54.840 0.156 0.000 0.745 398 L CB -0.742 41.364 42.059 0.078 0.000 0.892 398 L HN 0.249 nan 8.230 nan 0.000 0.431 399 L N -0.658 120.569 121.223 0.006 0.000 2.013 399 L HA -0.260 4.079 4.340 -0.001 0.000 0.212 399 L C 2.861 179.901 176.870 0.283 0.000 1.073 399 L CA 1.858 56.681 54.840 -0.029 0.000 0.753 399 L CB -0.658 41.199 42.059 -0.336 0.000 0.890 399 L HN 0.354 nan 8.230 nan 0.000 0.432 400 R N 0.239 120.876 120.500 0.229 0.000 2.075 400 R HA -0.120 4.219 4.340 -0.001 0.000 0.232 400 R C 2.503 178.903 176.300 0.165 0.000 1.126 400 R CA 1.179 57.402 56.100 0.206 0.000 0.963 400 R CB -0.013 30.390 30.300 0.171 0.000 0.858 400 R HN 0.269 nan 8.270 nan 0.000 0.435 401 R N -0.933 119.684 120.500 0.196 0.000 2.096 401 R HA -0.184 4.155 4.340 -0.001 0.000 0.235 401 R C 2.164 178.533 176.300 0.114 0.000 1.127 401 R CA 1.695 57.927 56.100 0.219 0.000 0.968 401 R CB -0.461 30.040 30.300 0.335 0.000 0.861 401 R HN 0.307 nan 8.270 nan 0.000 0.440 402 Y N 1.319 121.506 120.300 -0.189 0.000 2.165 402 Y HA -0.259 4.290 4.550 -0.001 0.000 0.286 402 Y C 2.065 177.874 175.900 -0.152 0.000 1.155 402 Y CA 1.500 59.240 58.100 -0.600 0.000 1.164 402 Y CB -0.242 38.041 38.460 -0.294 0.000 0.978 402 Y HN 0.013 nan 8.280 nan 0.000 0.513 403 L N 0.186 121.465 121.223 0.094 0.000 1.994 403 L HA -0.213 4.126 4.340 -0.001 0.000 0.208 403 L C 2.180 178.888 176.870 -0.269 0.000 1.071 403 L CA 1.796 56.458 54.840 -0.297 0.000 0.745 403 L CB -1.034 40.795 42.059 -0.383 0.000 0.892 403 L HN 0.361 nan 8.230 nan 0.000 0.431 404 L N -1.690 119.463 121.223 -0.117 0.000 2.013 404 L HA -0.290 4.049 4.340 -0.001 0.000 0.212 404 L C 2.544 179.374 176.870 -0.066 0.000 1.073 404 L CA 1.873 56.667 54.840 -0.078 0.000 0.753 404 L CB -0.806 41.252 42.059 -0.001 0.000 0.890 404 L HN 0.391 nan 8.230 nan 0.000 0.432 405 Y N 0.477 120.673 120.300 -0.173 0.000 2.114 405 Y HA -0.311 4.239 4.550 -0.001 0.000 0.284 405 Y C 2.497 178.291 175.900 -0.176 0.000 1.143 405 Y CA 1.473 59.481 58.100 -0.153 0.000 1.135 405 Y CB -0.422 37.944 38.460 -0.157 0.000 0.980 405 Y HN 0.119 nan 8.280 nan 0.000 0.499 406 A N 0.354 123.040 122.820 -0.224 0.000 1.908 406 A HA -0.203 4.116 4.320 -0.001 0.000 0.218 406 A C 2.319 179.835 177.584 -0.112 0.000 1.181 406 A CA 2.123 54.063 52.037 -0.160 0.000 0.627 406 A CB -1.214 17.742 19.000 -0.073 0.000 0.818 406 A HN 0.593 nan 8.150 nan 0.000 0.445 407 I N -1.262 119.212 120.570 -0.161 0.000 2.179 407 I HA -0.244 3.925 4.170 -0.001 0.000 0.242 407 I C 2.754 178.782 176.117 -0.148 0.000 1.088 407 I CA 1.778 62.996 61.300 -0.137 0.000 1.357 407 I CB -0.290 37.613 38.000 -0.162 0.000 1.051 407 I HN 0.366 nan 8.210 nan 0.000 0.409 408 R N 0.624 121.007 120.500 -0.195 0.000 2.090 408 R HA -0.124 4.215 4.340 -0.001 0.000 0.228 408 R C 2.008 178.140 176.300 -0.280 0.000 1.110 408 R CA 1.144 57.123 56.100 -0.201 0.000 0.973 408 R CB 0.127 30.313 30.300 -0.190 0.000 0.869 408 R HN 0.233 nan 8.270 nan 0.000 0.440 409 E N -0.471 119.466 120.200 -0.438 0.000 2.318 409 E HA -0.024 4.325 4.350 -0.001 0.000 0.193 409 E C 0.045 176.138 176.600 -0.845 0.000 0.998 409 E CA 0.771 56.775 56.400 -0.660 0.000 0.859 409 E CB 0.362 29.497 29.700 -0.943 0.000 0.812 409 E HN 0.468 nan 8.360 nan 0.000 0.492 410 H N 0.044 119.004 119.070 -0.184 0.000 2.535 410 H HA 0.175 4.730 4.556 -0.002 0.000 0.232 410 H C -1.765 173.508 175.328 -0.091 0.000 1.405 410 H CA -1.335 54.641 56.048 -0.119 0.000 1.224 410 H CB 1.028 30.723 29.762 -0.112 0.000 1.763 410 H HN 0.041 nan 8.280 nan 0.000 0.529 411 P HA -0.011 nan 4.420 nan 0.000 0.221 411 P C 0.668 177.957 177.300 -0.017 0.000 1.150 411 P CA 0.736 63.812 63.100 -0.039 0.000 0.800 411 P CB 0.698 32.362 31.700 -0.059 0.000 0.787 412 A N -0.021 122.795 122.820 -0.007 0.000 3.355 412 A HA 0.519 4.838 4.320 -0.001 0.000 0.290 412 A C -2.676 174.911 177.584 0.006 0.000 0.973 412 A CA -1.241 50.793 52.037 -0.005 0.000 0.933 412 A CB -0.000 18.991 19.000 -0.013 0.000 1.138 412 A HN 0.029 nan 8.150 nan 0.000 0.490 413 P HA 0.415 nan 4.420 nan 0.000 0.272 413 P C -0.421 176.877 177.300 -0.004 0.000 1.223 413 P CA 0.253 63.357 63.100 0.007 0.000 0.784 413 P CB 0.886 32.580 31.700 -0.010 0.000 0.923 414 E N 0.972 121.169 120.200 -0.003 0.000 2.288 414 E HA 0.337 4.686 4.350 -0.001 0.000 0.268 414 E C -0.233 176.364 176.600 -0.005 0.000 0.885 414 E CA -0.961 55.436 56.400 -0.005 0.000 0.767 414 E CB 1.587 31.286 29.700 -0.001 0.000 1.220 414 E HN 0.354 nan 8.360 nan 0.000 0.427 415 L N 2.155 123.375 121.223 -0.006 0.000 2.578 415 L HA -0.006 4.333 4.340 -0.001 0.000 0.279 415 L C 1.285 178.156 176.870 0.002 0.000 1.227 415 L CA 0.296 55.135 54.840 -0.002 0.000 0.900 415 L CB -0.348 41.711 42.059 0.000 0.000 1.144 415 L HN 0.589 nan 8.230 nan 0.000 0.496 416 T N -1.378 113.178 114.554 0.003 0.000 2.813 416 T HA 0.019 4.369 4.350 -0.001 0.000 0.297 416 T C 1.046 175.752 174.700 0.010 0.000 1.036 416 T CA -0.705 61.398 62.100 0.006 0.000 1.044 416 T CB 1.353 70.225 68.868 0.005 0.000 0.993 416 T HN 0.614 nan 8.240 nan 0.000 0.535 417 E N 0.575 120.782 120.200 0.011 0.000 2.049 417 E HA -0.184 4.165 4.350 -0.001 0.000 0.198 417 E C 1.993 178.604 176.600 0.018 0.000 1.007 417 E CA 1.543 57.952 56.400 0.015 0.000 0.809 417 E CB -0.217 29.491 29.700 0.013 0.000 0.749 417 E HN 0.720 nan 8.360 nan 0.000 0.450 418 E N -0.002 120.207 120.200 0.015 0.000 2.150 418 E HA -0.104 4.245 4.350 -0.001 0.000 0.193 418 E C 1.858 178.471 176.600 0.023 0.000 0.985 418 E CA 0.903 57.312 56.400 0.016 0.000 0.814 418 E CB -0.311 29.394 29.700 0.010 0.000 0.752 418 E HN 0.298 nan 8.360 nan 0.000 0.466 419 A N 1.297 124.129 122.820 0.019 0.000 1.898 419 A HA -0.163 4.156 4.320 -0.001 0.000 0.216 419 A C 2.230 179.833 177.584 0.032 0.000 1.181 419 A CA 1.523 53.572 52.037 0.020 0.000 0.620 419 A CB -0.429 18.575 19.000 0.008 0.000 0.819 419 A HN 0.150 nan 8.150 nan 0.000 0.442 420 R N 0.017 120.536 120.500 0.031 0.000 2.081 420 R HA -0.146 4.193 4.340 -0.001 0.000 0.235 420 R C 2.037 178.379 176.300 0.070 0.000 1.131 420 R CA 1.895 58.020 56.100 0.042 0.000 0.960 420 R CB -0.237 30.083 30.300 0.034 0.000 0.856 420 R HN 0.505 nan 8.270 nan 0.000 0.436 421 K N -0.276 120.162 120.400 0.064 0.000 2.057 421 K HA -0.177 4.142 4.320 -0.001 0.000 0.207 421 K C 2.223 178.898 176.600 0.125 0.000 1.049 421 K CA 1.477 57.813 56.287 0.082 0.000 0.931 421 K CB -0.146 32.382 32.500 0.047 0.000 0.714 421 K HN 0.008 nan 8.250 nan 0.000 0.440 422 R N 1.357 121.920 120.500 0.105 0.000 2.096 422 R HA -0.130 4.209 4.340 -0.001 0.000 0.235 422 R C 2.073 178.504 176.300 0.219 0.000 1.127 422 R CA 1.090 57.277 56.100 0.146 0.000 0.968 422 R CB -0.520 29.832 30.300 0.086 0.000 0.861 422 R HN 0.147 nan 8.270 nan 0.000 0.440 423 L N 0.756 122.077 121.223 0.162 0.000 2.044 423 L HA -0.028 4.311 4.340 -0.001 0.000 0.205 423 L C 1.657 178.709 176.870 0.302 0.000 1.075 423 L CA 1.880 56.828 54.840 0.181 0.000 0.747 423 L CB -0.511 41.594 42.059 0.076 0.000 0.903 423 L HN 0.272 nan 8.230 nan 0.000 0.435 424 E N -1.418 118.929 120.200 0.244 0.000 2.110 424 E HA -0.297 4.052 4.350 -0.001 0.000 0.193 424 E C 2.054 178.833 176.600 0.297 0.000 0.988 424 E CA 1.299 57.862 56.400 0.272 0.000 0.804 424 E CB -0.257 29.558 29.700 0.191 0.000 0.745 424 E HN 0.658 nan 8.360 nan 0.000 0.458 425 H N -0.216 118.967 119.070 0.188 0.000 2.293 425 H HA -0.190 4.365 4.556 -0.002 0.000 0.300 425 H C 1.755 177.190 175.328 0.179 0.000 1.082 425 H CA 2.107 58.243 56.048 0.147 0.000 1.308 425 H CB -0.430 29.405 29.762 0.122 0.000 1.375 425 H HN 0.279 nan 8.280 nan 0.000 0.495 426 W N 0.218 121.545 121.300 0.044 0.000 2.317 426 W HA -0.353 4.307 4.660 -0.001 0.000 0.318 426 W C 2.042 178.583 176.519 0.037 0.000 1.227 426 W CA 2.428 59.773 57.345 0.001 0.000 1.269 426 W CB -1.016 28.492 29.460 0.081 0.000 1.155 426 W HN 0.307 nan 8.180 nan 0.000 0.484 427 Y N 2.072 122.432 120.300 0.100 0.000 2.114 427 Y HA -0.286 4.263 4.550 -0.001 0.000 0.284 427 Y C 2.635 178.373 175.900 -0.270 0.000 1.143 427 Y CA 2.797 60.816 58.100 -0.135 0.000 1.135 427 Y CB -1.136 37.423 38.460 0.166 0.000 0.980 427 Y HN 0.403 nan 8.280 nan 0.000 0.499 428 E N -1.915 118.166 120.200 -0.198 0.000 2.077 428 E HA -0.172 4.177 4.350 -0.001 0.000 0.193 428 E C 1.951 178.353 176.600 -0.331 0.000 0.989 428 E CA 1.848 58.075 56.400 -0.288 0.000 0.800 428 E CB -0.796 28.831 29.700 -0.123 0.000 0.746 428 E HN 0.342 nan 8.360 nan 0.000 0.452 429 T N 0.691 115.019 114.554 -0.377 0.000 2.746 429 T HA -0.074 4.275 4.350 -0.001 0.000 0.267 429 T C 1.856 176.323 174.700 -0.388 0.000 1.039 429 T CA 1.216 63.088 62.100 -0.381 0.000 1.142 429 T CB -0.086 68.492 68.868 -0.482 0.000 0.866 429 T HN 0.117 nan 8.240 nan 0.000 0.444 430 R N 1.017 121.184 120.500 -0.554 0.000 2.092 430 R HA 0.131 4.470 4.340 -0.001 0.000 0.231 430 R C 2.562 178.620 176.300 -0.403 0.000 1.119 430 R CA 0.966 56.739 56.100 -0.546 0.000 0.970 430 R CB -0.414 29.342 30.300 -0.907 0.000 0.864 430 R HN 0.419 nan 8.270 nan 0.000 0.440 431 R N 0.573 120.808 120.500 -0.442 0.000 2.081 431 R HA -0.113 4.227 4.340 -0.001 0.000 0.235 431 R C 2.201 178.352 176.300 -0.248 0.000 1.131 431 R CA 1.111 56.998 56.100 -0.355 0.000 0.960 431 R CB -0.197 29.826 30.300 -0.462 0.000 0.856 431 R HN 0.230 nan 8.270 nan 0.000 0.436 432 E N 1.341 121.398 120.200 -0.238 0.000 2.077 432 E HA -0.246 4.103 4.350 -0.001 0.000 0.193 432 E C 1.720 178.232 176.600 -0.147 0.000 0.989 432 E CA 1.391 57.688 56.400 -0.170 0.000 0.800 432 E CB 0.070 29.677 29.700 -0.156 0.000 0.746 432 E HN 0.368 nan 8.360 nan 0.000 0.452 433 E N -0.054 120.045 120.200 -0.167 0.000 2.077 433 E HA -0.134 4.215 4.350 -0.001 0.000 0.193 433 E C 2.229 178.757 176.600 -0.119 0.000 0.989 433 E CA 1.231 57.550 56.400 -0.135 0.000 0.800 433 E CB 0.176 29.789 29.700 -0.144 0.000 0.746 433 E HN 0.116 nan 8.360 nan 0.000 0.452 434 V N 1.597 121.428 119.914 -0.138 0.000 2.295 434 V HA -0.230 3.889 4.120 -0.001 0.000 0.246 434 V C 2.341 178.380 176.094 -0.092 0.000 1.049 434 V CA 1.881 64.113 62.300 -0.112 0.000 1.024 434 V CB -0.493 31.259 31.823 -0.120 0.000 0.648 434 V HN 0.247 nan 8.190 nan 0.000 0.447 435 E N -0.047 120.093 120.200 -0.099 0.000 2.058 435 E HA -0.234 4.115 4.350 -0.001 0.000 0.194 435 E C 2.234 178.793 176.600 -0.067 0.000 0.997 435 E CA 1.386 57.738 56.400 -0.080 0.000 0.801 435 E CB -0.312 29.337 29.700 -0.085 0.000 0.746 435 E HN 0.653 nan 8.360 nan 0.000 0.450 436 E N 0.321 120.477 120.200 -0.072 0.000 2.031 436 E HA -0.172 4.177 4.350 -0.001 0.000 0.193 436 E C 2.213 178.781 176.600 -0.053 0.000 0.994 436 E CA 0.868 57.232 56.400 -0.060 0.000 0.800 436 E CB 0.010 29.673 29.700 -0.061 0.000 0.752 436 E HN 0.138 nan 8.360 nan 0.000 0.447 437 R N 0.171 120.635 120.500 -0.059 0.000 2.091 437 R HA -0.139 4.200 4.340 -0.001 0.000 0.238 437 R C 2.555 178.826 176.300 -0.048 0.000 1.136 437 R CA 1.049 57.117 56.100 -0.053 0.000 0.959 437 R CB -0.314 29.950 30.300 -0.060 0.000 0.856 437 R HN 0.221 nan 8.270 nan 0.000 0.437 438 L N -0.540 120.653 121.223 -0.050 0.000 2.056 438 L HA -0.082 4.257 4.340 -0.001 0.000 0.207 438 L C 2.588 179.436 176.870 -0.036 0.000 1.078 438 L CA 1.331 56.146 54.840 -0.042 0.000 0.749 438 L CB -0.792 41.242 42.059 -0.042 0.000 0.901 438 L HN 0.371 nan 8.230 nan 0.000 0.433 439 G N -0.063 108.714 108.800 -0.038 0.000 2.450 439 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.220 439 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.220 439 G C 1.532 176.414 174.900 -0.029 0.000 1.130 439 G CA 0.689 45.770 45.100 -0.033 0.000 0.760 439 G HN 0.305 nan 8.290 nan 0.000 0.557 440 M N 0.011 119.592 119.600 -0.032 0.000 2.595 440 M HA 0.256 4.736 4.480 -0.001 0.000 0.248 440 M C 1.724 178.008 176.300 -0.027 0.000 1.119 440 M CA 0.746 56.029 55.300 -0.029 0.000 1.079 440 M CB 0.474 33.056 32.600 -0.031 0.000 1.472 440 M HN 0.296 nan 8.290 nan 0.000 0.501 441 G N 1.635 110.418 108.800 -0.028 0.000 2.137 441 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.237 441 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.237 441 G C -0.210 174.672 174.900 -0.029 0.000 1.002 441 G CA -0.412 44.673 45.100 -0.026 0.000 0.702 441 G HN 0.396 nan 8.290 nan 0.000 0.515 442 L N 0.853 122.056 121.223 -0.034 0.000 2.265 442 L HA 0.398 4.737 4.340 -0.001 0.000 0.289 442 L C -2.022 174.822 176.870 -0.043 0.000 1.033 442 L CA -2.207 52.610 54.840 -0.039 0.000 0.814 442 L CB 1.489 43.523 42.059 -0.042 0.000 1.203 442 L HN -0.133 nan 8.230 nan 0.000 0.423 443 P HA 0.082 nan 4.420 nan 0.000 0.267 443 P C -0.441 176.825 177.300 -0.056 0.000 1.209 443 P CA 0.074 63.147 63.100 -0.045 0.000 0.763 443 P CB 0.744 32.418 31.700 -0.043 0.000 0.816 444 T N 0.980 115.500 114.554 -0.056 0.000 2.923 444 T HA 0.479 4.828 4.350 -0.001 0.000 0.311 444 T C -0.560 174.103 174.700 -0.062 0.000 1.183 444 T CA -0.959 61.100 62.100 -0.068 0.000 1.020 444 T CB 0.520 69.346 68.868 -0.070 0.000 1.165 444 T HN 0.040 nan 8.240 nan 0.000 0.482 445 L N 3.811 124.988 121.223 -0.076 0.000 2.416 445 L HA 0.387 4.726 4.340 -0.001 0.000 0.272 445 L C -1.550 175.291 176.870 -0.049 0.000 1.161 445 L CA -1.805 52.997 54.840 -0.062 0.000 0.845 445 L CB 0.467 42.465 42.059 -0.102 0.000 1.119 445 L HN 0.585 nan 8.230 nan 0.000 0.464 446 P HA 0.052 nan 4.420 nan 0.000 0.272 446 P C -0.844 176.459 177.300 0.005 0.000 1.223 446 P CA -0.250 62.840 63.100 -0.016 0.000 0.784 446 P CB 1.059 32.762 31.700 0.005 0.000 0.923 447 V N 2.657 122.567 119.914 -0.007 0.000 2.311 447 V HA 0.298 4.417 4.120 -0.001 0.000 0.275 447 V C 0.972 177.143 176.094 0.127 0.000 1.022 447 V CA -0.076 62.256 62.300 0.053 0.000 0.830 447 V CB 0.673 32.457 31.823 -0.064 0.000 1.012 447 V HN 0.841 nan 8.190 nan 0.000 0.452 448 T N 2.105 116.789 114.554 0.218 0.000 2.841 448 T HA 0.418 4.767 4.350 -0.001 0.000 0.276 448 T C 1.320 176.205 174.700 0.308 0.000 1.003 448 T CA -0.480 61.761 62.100 0.236 0.000 0.995 448 T CB 1.326 70.273 68.868 0.131 0.000 1.260 448 T HN 0.594 nan 8.240 nan 0.000 0.581 449 R N 0.474 121.101 120.500 0.212 0.000 2.139 449 R HA -0.103 4.237 4.340 -0.001 0.000 0.243 449 R C 2.196 178.507 176.300 0.017 0.000 1.145 449 R CA 1.230 57.372 56.100 0.069 0.000 0.976 449 R CB -0.548 29.784 30.300 0.054 0.000 0.866 449 R HN 0.573 nan 8.270 nan 0.000 0.449 450 R N 0.649 121.184 120.500 0.060 0.000 2.091 450 R HA -0.134 4.205 4.340 -0.001 0.000 0.238 450 R C 2.295 178.646 176.300 0.085 0.000 1.136 450 R CA 1.979 58.109 56.100 0.050 0.000 0.959 450 R CB -0.218 30.115 30.300 0.054 0.000 0.856 450 R HN 0.278 nan 8.270 nan 0.000 0.437 451 Q N 0.440 120.337 119.800 0.162 0.000 2.079 451 Q HA -0.107 4.233 4.340 -0.001 0.000 0.200 451 Q C 1.970 178.083 176.000 0.189 0.000 0.974 451 Q CA 0.975 56.930 55.803 0.253 0.000 0.840 451 Q CB -0.298 28.685 28.738 0.408 0.000 0.898 451 Q HN 0.171 nan 8.270 nan 0.000 0.430 452 L N 1.050 122.298 121.223 0.041 0.000 1.990 452 L HA -0.249 4.090 4.340 -0.001 0.000 0.213 452 L C 1.718 178.513 176.870 -0.125 0.000 1.072 452 L CA 1.974 56.696 54.840 -0.195 0.000 0.755 452 L CB -0.435 41.179 42.059 -0.741 0.000 0.889 452 L HN 0.221 nan 8.230 nan 0.000 0.432 453 E N -0.929 119.216 120.200 -0.091 0.000 2.085 453 E HA -0.204 4.145 4.350 -0.001 0.000 0.194 453 E C 2.131 178.700 176.600 -0.053 0.000 0.994 453 E CA 1.583 57.944 56.400 -0.064 0.000 0.801 453 E CB -0.187 29.488 29.700 -0.042 0.000 0.743 453 E HN 0.521 nan 8.360 nan 0.000 0.453 454 S N 0.246 115.931 115.700 -0.025 0.000 2.368 454 S HA -0.125 4.344 4.470 -0.001 0.000 0.224 454 S C 2.207 176.760 174.600 -0.079 0.000 1.029 454 S CA 0.892 59.077 58.200 -0.026 0.000 0.988 454 S CB -0.167 63.055 63.200 0.036 0.000 0.838 454 S HN 0.055 nan 8.310 nan 0.000 0.462 455 V N 1.851 121.682 119.914 -0.139 0.000 2.287 455 V HA -0.230 3.889 4.120 -0.001 0.000 0.248 455 V C 2.506 178.494 176.094 -0.177 0.000 1.053 455 V CA 2.201 64.346 62.300 -0.258 0.000 1.027 455 V CB -0.663 30.840 31.823 -0.533 0.000 0.646 455 V HN 0.541 nan 8.190 nan 0.000 0.447 456 E N 0.157 120.278 120.200 -0.132 0.000 2.077 456 E HA -0.242 4.107 4.350 -0.001 0.000 0.193 456 E C 2.411 178.966 176.600 -0.074 0.000 0.989 456 E CA 1.443 57.788 56.400 -0.092 0.000 0.800 456 E CB -0.125 29.531 29.700 -0.073 0.000 0.746 456 E HN 0.503 nan 8.360 nan 0.000 0.452 457 R N -0.045 120.411 120.500 -0.072 0.000 2.083 457 R HA -0.123 4.216 4.340 -0.001 0.000 0.237 457 R C 2.591 178.855 176.300 -0.060 0.000 1.137 457 R CA 1.545 57.607 56.100 -0.064 0.000 0.951 457 R CB -0.386 29.870 30.300 -0.073 0.000 0.851 457 R HN 0.267 nan 8.270 nan 0.000 0.434 458 L N 0.007 121.187 121.223 -0.070 0.000 2.083 458 L HA -0.144 4.195 4.340 -0.001 0.000 0.209 458 L C 2.647 179.488 176.870 -0.049 0.000 1.083 458 L CA 1.206 56.009 54.840 -0.062 0.000 0.752 458 L CB -0.474 41.535 42.059 -0.082 0.000 0.899 458 L HN 0.250 nan 8.230 nan 0.000 0.433 459 A N -0.022 122.758 122.820 -0.066 0.000 1.898 459 A HA -0.198 4.121 4.320 -0.001 0.000 0.216 459 A C 2.322 179.898 177.584 -0.012 0.000 1.181 459 A CA 1.516 53.529 52.037 -0.040 0.000 0.620 459 A CB -0.297 18.663 19.000 -0.066 0.000 0.819 459 A HN 0.302 nan 8.150 nan 0.000 0.442 460 K N -0.203 120.180 120.400 -0.028 0.000 2.057 460 K HA -0.089 4.230 4.320 -0.001 0.000 0.207 460 K C 2.322 178.908 176.600 -0.023 0.000 1.049 460 K CA 1.168 57.439 56.287 -0.026 0.000 0.931 460 K CB -0.361 32.122 32.500 -0.028 0.000 0.714 460 K HN 0.433 nan 8.250 nan 0.000 0.440 461 A N 0.993 123.807 122.820 -0.011 0.000 1.908 461 A HA -0.249 4.070 4.320 -0.001 0.000 0.218 461 A C 1.973 179.523 177.584 -0.056 0.000 1.181 461 A CA 1.975 54.018 52.037 0.010 0.000 0.627 461 A CB -0.791 18.226 19.000 0.028 0.000 0.818 461 A HN 0.402 nan 8.150 nan 0.000 0.445 462 H N -0.250 118.735 119.070 -0.142 0.000 2.389 462 H HA 0.123 4.679 4.556 -0.002 0.000 0.299 462 H C 2.138 177.352 175.328 -0.191 0.000 1.081 462 H CA 1.554 57.483 56.048 -0.198 0.000 1.345 462 H CB -0.213 29.457 29.762 -0.153 0.000 1.393 462 H HN 0.394 nan 8.280 nan 0.000 0.520 463 A N 0.893 123.613 122.820 -0.167 0.000 1.902 463 A HA -0.154 4.165 4.320 -0.001 0.000 0.217 463 A C 2.398 179.829 177.584 -0.256 0.000 1.181 463 A CA 1.461 53.377 52.037 -0.203 0.000 0.623 463 A CB -0.411 18.529 19.000 -0.101 0.000 0.818 463 A HN 0.468 nan 8.150 nan 0.000 0.443 464 R N -1.350 119.042 120.500 -0.179 0.000 2.105 464 R HA -0.109 4.230 4.340 -0.001 0.000 0.239 464 R C 2.219 178.379 176.300 -0.232 0.000 1.135 464 R CA 1.647 57.674 56.100 -0.122 0.000 0.967 464 R CB -0.404 29.939 30.300 0.071 0.000 0.861 464 R HN 0.613 nan 8.270 nan 0.000 0.442 465 M N 0.401 119.688 119.600 -0.522 0.000 2.358 465 M HA -0.120 4.359 4.480 -0.001 0.000 0.264 465 M C 1.310 177.376 176.300 -0.389 0.000 1.064 465 M CA 1.521 56.313 55.300 -0.848 0.000 1.093 465 M CB 0.205 32.120 32.600 -1.142 0.000 1.401 465 M HN -0.004 nan 8.290 nan 0.000 0.440 466 R N 0.007 120.268 120.500 -0.398 0.000 2.359 466 R HA 0.234 4.573 4.340 -0.001 0.000 0.231 466 R C 0.224 176.400 176.300 -0.206 0.000 0.913 466 R CA -0.087 55.861 56.100 -0.252 0.000 1.075 466 R CB 0.069 30.194 30.300 -0.291 0.000 1.087 466 R HN 0.394 nan 8.270 nan 0.000 0.515 467 L N 1.263 122.309 121.223 -0.295 0.000 3.678 467 L HA -0.250 4.089 4.340 -0.001 0.000 0.425 467 L C -0.126 176.220 176.870 -0.873 0.000 1.240 467 L CA 0.459 54.982 54.840 -0.527 0.000 0.876 467 L CB -1.756 40.225 42.059 -0.130 0.000 1.766 467 L HN 0.125 nan 8.230 nan 0.000 0.917 468 S N -1.098 114.192 115.700 -0.684 0.000 2.566 468 S HA 0.528 4.998 4.470 -0.001 0.000 0.298 468 S C 0.628 175.080 174.600 -0.246 0.000 1.083 468 S CA -0.740 57.213 58.200 -0.412 0.000 0.978 468 S CB 1.862 64.938 63.200 -0.208 0.000 1.073 468 S HN 0.252 nan 8.310 nan 0.000 0.491 469 D N 1.419 121.794 120.400 -0.041 0.000 2.349 469 D HA 0.192 4.831 4.640 -0.001 0.000 0.214 469 D C -0.752 175.550 176.300 0.003 0.000 1.063 469 D CA 0.382 54.410 54.000 0.047 0.000 0.847 469 D CB 0.231 41.095 40.800 0.107 0.000 0.933 469 D HN 0.498 nan 8.370 nan 0.000 0.513 470 D N 0.926 121.312 120.400 -0.023 0.000 2.381 470 D HA 0.165 4.804 4.640 -0.001 0.000 0.235 470 D C 0.045 176.329 176.300 -0.028 0.000 1.068 470 D CA -0.429 53.560 54.000 -0.018 0.000 0.832 470 D CB 2.626 43.419 40.800 -0.012 0.000 1.101 470 D HN -0.229 nan 8.370 nan 0.000 0.515 471 V N 3.502 123.405 119.914 -0.019 0.000 2.470 471 V HA 0.082 4.201 4.120 -0.001 0.000 0.276 471 V C 0.776 176.866 176.094 -0.007 0.000 1.040 471 V CA -0.136 62.155 62.300 -0.016 0.000 1.008 471 V CB 0.699 32.513 31.823 -0.016 0.000 0.990 471 V HN 0.341 nan 8.190 nan 0.000 0.477 472 E N 5.930 126.129 120.200 -0.001 0.000 2.249 472 E HA 0.348 4.697 4.350 -0.001 0.000 0.263 472 E C -1.923 174.681 176.600 0.006 0.000 0.950 472 E CA -2.013 54.389 56.400 0.004 0.000 0.827 472 E CB 1.408 31.111 29.700 0.006 0.000 1.220 472 E HN 0.232 nan 8.360 nan 0.000 0.411 473 P HA -0.179 nan 4.420 nan 0.000 0.216 473 P C 0.734 178.034 177.300 -0.000 0.000 1.150 473 P CA 1.405 64.511 63.100 0.009 0.000 0.843 473 P CB 0.353 32.062 31.700 0.014 0.000 0.787 474 E N -0.599 119.603 120.200 0.003 0.000 2.118 474 E HA -0.173 4.176 4.350 -0.001 0.000 0.195 474 E C 1.681 178.263 176.600 -0.030 0.000 0.992 474 E CA 1.217 57.614 56.400 -0.006 0.000 0.804 474 E CB -0.910 28.800 29.700 0.016 0.000 0.741 474 E HN 0.350 nan 8.360 nan 0.000 0.458 475 D N -0.344 120.064 120.400 0.013 0.000 2.144 475 D HA -0.089 4.550 4.640 -0.001 0.000 0.200 475 D C 1.963 178.217 176.300 -0.077 0.000 0.978 475 D CA 0.725 54.735 54.000 0.017 0.000 0.833 475 D CB -0.136 40.714 40.800 0.082 0.000 0.961 475 D HN 0.065 nan 8.370 nan 0.000 0.470 476 V N 1.748 121.622 119.914 -0.067 0.000 2.358 476 V HA -0.203 3.916 4.120 -0.001 0.000 0.246 476 V C 1.905 177.907 176.094 -0.153 0.000 1.047 476 V CA 1.646 63.881 62.300 -0.109 0.000 1.035 476 V CB -0.376 31.410 31.823 -0.061 0.000 0.658 476 V HN 0.017 nan 8.190 nan 0.000 0.452 477 D N 0.046 120.386 120.400 -0.100 0.000 2.117 477 D HA -0.118 4.521 4.640 -0.001 0.000 0.197 477 D C 2.055 178.278 176.300 -0.129 0.000 0.987 477 D CA 1.332 55.280 54.000 -0.087 0.000 0.829 477 D CB -0.192 40.585 40.800 -0.038 0.000 0.961 477 D HN 0.390 nan 8.370 nan 0.000 0.460 478 I N 0.971 121.436 120.570 -0.176 0.000 2.202 478 I HA -0.253 3.916 4.170 -0.001 0.000 0.242 478 I C 2.456 178.456 176.117 -0.196 0.000 1.091 478 I CA 1.014 62.181 61.300 -0.223 0.000 1.368 478 I CB -0.209 37.544 38.000 -0.412 0.000 1.058 478 I HN -0.073 nan 8.210 nan 0.000 0.410 479 A N 0.791 123.487 122.820 -0.207 0.000 1.883 479 A HA -0.248 4.071 4.320 -0.001 0.000 0.217 479 A C 2.526 179.957 177.584 -0.255 0.000 1.186 479 A CA 2.196 54.112 52.037 -0.201 0.000 0.624 479 A CB -1.002 17.875 19.000 -0.206 0.000 0.822 479 A HN 0.451 nan 8.150 nan 0.000 0.444 480 A N -0.876 121.714 122.820 -0.382 0.000 1.933 480 A HA -0.171 4.148 4.320 -0.001 0.000 0.218 480 A C 2.069 179.571 177.584 -0.137 0.000 1.175 480 A CA 1.767 53.453 52.037 -0.585 0.000 0.628 480 A CB -0.483 17.983 19.000 -0.889 0.000 0.814 480 A HN 0.555 nan 8.150 nan 0.000 0.444 481 E N 0.262 120.432 120.200 -0.051 0.000 2.118 481 E HA -0.174 4.175 4.350 -0.001 0.000 0.195 481 E C 1.953 178.631 176.600 0.129 0.000 0.992 481 E CA 1.252 57.693 56.400 0.068 0.000 0.804 481 E CB -0.233 29.479 29.700 0.020 0.000 0.741 481 E HN 0.668 nan 8.360 nan 0.000 0.458 482 L N -0.028 121.229 121.223 0.057 0.000 2.072 482 L HA -0.146 4.193 4.340 -0.001 0.000 0.205 482 L C 2.672 179.708 176.870 0.278 0.000 1.079 482 L CA 0.622 55.537 54.840 0.125 0.000 0.752 482 L CB -0.370 41.698 42.059 0.014 0.000 0.906 482 L HN -0.005 nan 8.230 nan 0.000 0.436 483 V N -0.272 119.760 119.914 0.197 0.000 2.307 483 V HA -0.277 3.843 4.120 -0.001 0.000 0.245 483 V C 2.137 178.465 176.094 0.389 0.000 1.045 483 V CA 1.831 64.321 62.300 0.317 0.000 1.024 483 V CB -0.501 31.437 31.823 0.193 0.000 0.651 483 V HN 0.413 nan 8.190 nan 0.000 0.449 484 D N -1.183 119.438 120.400 0.368 0.000 2.123 484 D HA -0.239 4.400 4.640 -0.001 0.000 0.196 484 D C 1.708 178.176 176.300 0.280 0.000 0.992 484 D CA 1.553 55.752 54.000 0.331 0.000 0.833 484 D CB -0.288 40.718 40.800 0.344 0.000 0.954 484 D HN 0.659 nan 8.370 nan 0.000 0.455 485 W N 0.778 122.172 121.300 0.156 0.000 2.355 485 W HA -0.311 4.349 4.660 -0.001 0.000 0.309 485 W C 2.339 178.983 176.519 0.208 0.000 1.206 485 W CA 1.569 59.003 57.345 0.148 0.000 1.284 485 W CB -0.656 28.883 29.460 0.132 0.000 1.145 485 W HN 0.027 nan 8.180 nan 0.000 0.502 486 Y N 0.869 121.399 120.300 0.383 0.000 2.081 486 Y HA -0.295 4.254 4.550 -0.001 0.000 0.280 486 Y C 2.117 178.086 175.900 0.116 0.000 1.163 486 Y CA 2.436 60.679 58.100 0.238 0.000 1.135 486 Y CB -1.147 37.489 38.460 0.294 0.000 0.970 486 Y HN 0.025 nan 8.280 nan 0.000 0.498 487 L N -0.024 121.015 121.223 -0.306 0.000 2.083 487 L HA -0.197 4.142 4.340 -0.001 0.000 0.209 487 L C 2.444 179.159 176.870 -0.257 0.000 1.083 487 L CA 1.899 56.480 54.840 -0.432 0.000 0.752 487 L CB -0.534 41.409 42.059 -0.193 0.000 0.899 487 L HN 0.277 nan 8.230 nan 0.000 0.433 488 E N -0.444 119.652 120.200 -0.174 0.000 2.051 488 E HA -0.163 4.186 4.350 -0.001 0.000 0.189 488 E C 2.180 178.616 176.600 -0.273 0.000 0.979 488 E CA 1.691 57.983 56.400 -0.179 0.000 0.803 488 E CB -0.073 29.560 29.700 -0.111 0.000 0.761 488 E HN 0.540 nan 8.360 nan 0.000 0.451 489 T N -0.544 113.768 114.554 -0.404 0.000 2.833 489 T HA -0.051 4.299 4.350 -0.001 0.000 0.269 489 T C 2.072 176.443 174.700 -0.548 0.000 1.054 489 T CA 0.938 62.732 62.100 -0.510 0.000 1.135 489 T CB -0.238 68.134 68.868 -0.826 0.000 0.869 489 T HN 0.137 nan 8.240 nan 0.000 0.466 490 A N 1.531 124.090 122.820 -0.435 0.000 1.978 490 A HA 0.068 4.387 4.320 -0.001 0.000 0.220 490 A C 2.250 179.581 177.584 -0.421 0.000 1.170 490 A CA 1.587 53.314 52.037 -0.516 0.000 0.636 490 A CB -0.506 18.427 19.000 -0.112 0.000 0.810 490 A HN 0.508 nan 8.150 nan 0.000 0.448 491 M N -0.681 118.738 119.600 -0.303 0.000 2.313 491 M HA 0.136 4.615 4.480 -0.001 0.000 0.273 491 M C 0.907 177.092 176.300 -0.193 0.000 1.049 491 M CA 0.034 55.208 55.300 -0.211 0.000 1.004 491 M CB -0.490 32.017 32.600 -0.156 0.000 1.461 491 M HN 0.745 nan 8.290 nan 0.000 0.514 492 Q N 0.000 119.662 119.800 -0.230 0.000 2.315 492 Q HA 0.000 4.339 4.340 -0.001 0.000 0.214 492 Q CA 0.000 55.698 55.803 -0.175 0.000 1.022 492 Q CB 0.000 28.631 28.738 -0.178 0.000 1.108 492 Q HN 0.000 nan 8.270 nan 0.000 0.481