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 1p72_1_A DATA FIRST_RESID 20 DATA SEQUENCE SHMVTIVRIY LDGVYGIGKS TTGRVMASAA SGGSPTLYFP EPMAYWRTLF DATA SEQUENCE ETDVISGIYD TQNXXXXXXX XXXDAALITA HYQSRFTTPY LILHDHTCTL DATA SEQUENCE FGGNSLQRGT QPDLTLVFDR HPVASTVCFP AARYLLGDMS MCALMAMVAT DATA SEQUENCE LPREPQGGNI VVTTLNVEEH IRRLRTRARI GEQIDITLIA TLRNVYFMLV DATA SEQUENCE NTCHFLRSGR VWRDGWGELP TSCGAYKHRA TQMDAFQERV SPELGDTLFA DATA SEQUENCE LFKTQELLDD RGVILEVHAW ALDALMLKLR NLNVFSADLS GTPRQCAAVV DATA SEQUENCE ESLLPLMSST LSDFDSASAL ERAARTFNAE MGV 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 20 S HA 0.000 nan 4.470 nan 0.000 0.327 20 S C 0.000 174.678 174.600 0.129 0.000 1.055 20 S CA 0.000 58.274 58.200 0.123 0.000 1.107 20 S CB 0.000 63.254 63.200 0.091 0.000 0.593 21 H N 2.862 121.970 119.070 0.064 0.000 3.070 21 H HA 0.312 4.869 4.556 0.001 0.000 0.313 21 H C -0.158 175.226 175.328 0.094 0.000 0.997 21 H CA 0.549 56.624 56.048 0.046 0.000 1.438 21 H CB 0.361 30.111 29.762 -0.019 0.000 1.455 21 H HN 0.338 nan 8.280 nan 0.000 0.575 22 M N 4.769 124.140 119.600 -0.381 0.000 2.238 22 M HA 0.091 4.571 4.480 0.001 0.000 0.347 22 M C -0.818 175.386 176.300 -0.160 0.000 1.173 22 M CA 0.147 55.324 55.300 -0.206 0.000 1.147 22 M CB 0.680 33.174 32.600 -0.176 0.000 1.547 22 M HN 0.324 nan 8.290 nan 0.000 0.455 23 V N 3.217 123.136 119.914 0.008 0.000 2.623 23 V HA 0.423 4.543 4.120 0.001 0.000 0.304 23 V C -0.458 175.668 176.094 0.052 0.000 1.054 23 V CA -0.910 61.434 62.300 0.073 0.000 0.882 23 V CB 2.242 34.153 31.823 0.147 0.000 1.002 23 V HN 0.847 nan 8.190 nan 0.000 0.424 24 T N 6.422 121.004 114.554 0.047 0.000 2.780 24 T HA 0.643 4.993 4.350 0.001 0.000 0.294 24 T C -0.208 174.519 174.700 0.045 0.000 0.949 24 T CA 0.066 62.190 62.100 0.039 0.000 1.074 24 T CB 0.441 69.326 68.868 0.029 0.000 0.910 24 T HN 0.388 nan 8.240 nan 0.000 0.501 25 I N 2.921 123.517 120.570 0.043 0.000 2.465 25 I HA 0.407 4.578 4.170 0.001 0.000 0.291 25 I C -0.518 175.603 176.117 0.006 0.000 1.014 25 I CA -1.159 60.163 61.300 0.037 0.000 1.093 25 I CB 2.129 40.169 38.000 0.068 0.000 1.267 25 I HN 0.256 nan 8.210 nan 0.000 0.431 26 V N 6.596 126.506 119.914 -0.007 0.000 2.370 26 V HA 0.419 4.539 4.120 0.001 0.000 0.279 26 V C 0.103 176.160 176.094 -0.062 0.000 1.029 26 V CA -0.612 61.669 62.300 -0.031 0.000 0.870 26 V CB 1.522 33.330 31.823 -0.026 0.000 0.984 26 V HN 0.761 nan 8.190 nan 0.000 0.451 27 R N 5.574 126.000 120.500 -0.123 0.000 2.460 27 R HA 0.809 5.149 4.340 0.001 0.000 0.303 27 R C -1.452 174.767 176.300 -0.134 0.000 0.968 27 R CA -0.676 55.318 56.100 -0.177 0.000 0.889 27 R CB 1.624 31.675 30.300 -0.416 0.000 1.123 27 R HN 0.577 nan 8.270 nan 0.000 0.455 28 I N 3.375 123.884 120.570 -0.103 0.000 2.466 28 I HA 0.276 4.446 4.170 0.001 0.000 0.289 28 I C -1.116 174.999 176.117 -0.003 0.000 1.026 28 I CA -1.148 60.147 61.300 -0.008 0.000 1.078 28 I CB 1.844 39.862 38.000 0.031 0.000 1.249 28 I HN 0.609 nan 8.210 nan 0.000 0.429 29 Y N 6.275 126.731 120.300 0.261 0.000 2.404 29 Y HA 0.391 4.941 4.550 0.001 0.000 0.344 29 Y C 0.050 176.099 175.900 0.247 0.000 0.970 29 Y CA -0.480 57.807 58.100 0.313 0.000 1.180 29 Y CB 0.881 39.523 38.460 0.304 0.000 1.138 29 Y HN 0.351 nan 8.280 nan 0.000 0.510 30 L N 4.752 126.191 121.223 0.359 0.000 2.281 30 L HA 0.300 4.640 4.340 0.001 0.000 0.285 30 L C -0.537 176.494 176.870 0.269 0.000 1.074 30 L CA 0.222 55.221 54.840 0.265 0.000 0.817 30 L CB 0.684 42.882 42.059 0.232 0.000 1.168 30 L HN 0.712 nan 8.230 nan 0.000 0.434 31 D N 1.910 122.426 120.400 0.193 0.000 2.559 31 D HA 0.820 5.460 4.640 0.001 0.000 0.250 31 D C -0.455 175.785 176.300 -0.101 0.000 1.135 31 D CA 0.136 54.228 54.000 0.153 0.000 0.955 31 D CB 2.808 43.782 40.800 0.289 0.000 1.442 31 D HN 0.672 nan 8.370 nan 0.000 0.471 32 G N -0.578 107.944 108.800 -0.462 0.000 2.368 32 G HA2 0.183 4.143 3.960 0.001 0.000 0.302 32 G HA3 0.183 4.143 3.960 0.001 0.000 0.302 32 G C -1.209 173.180 174.900 -0.851 0.000 1.329 32 G CA -0.521 43.964 45.100 -1.025 0.000 0.935 32 G HN 0.373 nan 8.290 nan 0.000 0.590 33 V N 1.087 120.568 119.914 -0.721 0.000 2.655 33 V HA 0.354 4.474 4.120 0.001 0.000 0.300 33 V C 0.842 176.896 176.094 -0.067 0.000 1.044 33 V CA 0.105 62.228 62.300 -0.295 0.000 1.095 33 V CB 0.098 31.787 31.823 -0.224 0.000 0.952 33 V HN 1.011 nan 8.190 nan 0.000 0.485 34 Y N 2.223 122.630 120.300 0.180 0.000 2.702 34 Y HA 0.454 5.004 4.550 0.000 0.000 0.336 34 Y C 1.228 177.275 175.900 0.245 0.000 1.235 34 Y CA -0.002 58.224 58.100 0.211 0.000 1.492 34 Y CB -0.008 38.614 38.460 0.270 0.000 1.308 34 Y HN 0.947 nan 8.280 nan 0.000 0.589 35 G N 2.839 111.803 108.800 0.274 0.000 2.232 35 G HA2 -0.296 3.664 3.960 0.001 0.000 0.226 35 G HA3 -0.296 3.664 3.960 0.001 0.000 0.226 35 G C 0.665 175.617 174.900 0.086 0.000 0.996 35 G CA 0.215 45.459 45.100 0.239 0.000 0.626 35 G HN 0.731 nan 8.290 nan 0.000 0.509 36 I N 0.809 121.274 120.570 -0.175 0.000 2.500 36 I HA 0.309 4.479 4.170 0.001 0.000 0.252 36 I C 2.152 178.208 176.117 -0.101 0.000 1.142 36 I CA 1.772 62.889 61.300 -0.306 0.000 1.451 36 I CB 0.026 37.754 38.000 -0.453 0.000 1.093 36 I HN 0.949 nan 8.210 nan 0.000 0.430 37 G N 0.855 109.637 108.800 -0.030 0.000 2.174 37 G HA2 -0.185 3.775 3.960 0.001 0.000 0.140 37 G HA3 -0.185 3.775 3.960 0.001 0.000 0.140 37 G C 0.948 175.856 174.900 0.014 0.000 1.031 37 G CA 0.226 45.328 45.100 0.002 0.000 0.728 37 G HN 0.261 nan 8.290 nan 0.000 0.496 38 K N 0.779 121.199 120.400 0.033 0.000 2.002 38 K HA -0.025 4.295 4.320 0.001 0.000 0.209 38 K C 2.369 179.027 176.600 0.097 0.000 1.048 38 K CA 2.076 58.404 56.287 0.068 0.000 0.930 38 K CB -0.363 32.195 32.500 0.096 0.000 0.714 38 K HN 0.214 nan 8.250 nan 0.000 0.438 39 S N 0.327 116.109 115.700 0.137 0.000 2.368 39 S HA -0.100 4.371 4.470 0.001 0.000 0.225 39 S C 1.908 176.495 174.600 -0.021 0.000 1.030 39 S CA 1.747 60.043 58.200 0.160 0.000 0.999 39 S CB -0.382 62.954 63.200 0.226 0.000 0.844 39 S HN 0.486 nan 8.310 nan 0.000 0.459 40 T N 2.002 116.553 114.554 -0.005 0.000 2.684 40 T HA -0.111 4.240 4.350 0.001 0.000 0.267 40 T C 2.065 176.706 174.700 -0.098 0.000 1.036 40 T CA 1.806 63.875 62.100 -0.051 0.000 1.148 40 T CB -0.801 68.060 68.868 -0.012 0.000 0.863 40 T HN 0.429 nan 8.240 nan 0.000 0.436 41 T N 1.222 115.737 114.554 -0.066 0.000 2.652 41 T HA -0.089 4.261 4.350 0.001 0.000 0.267 41 T C 2.255 176.875 174.700 -0.134 0.000 1.039 41 T CA 1.448 63.506 62.100 -0.070 0.000 1.153 41 T CB -0.958 67.894 68.868 -0.025 0.000 0.863 41 T HN 0.530 nan 8.240 nan 0.000 0.428 42 G N 1.545 110.233 108.800 -0.187 0.000 2.422 42 G HA2 -0.214 3.747 3.960 0.001 0.000 0.218 42 G HA3 -0.214 3.747 3.960 0.001 0.000 0.218 42 G C 1.748 176.226 174.900 -0.703 0.000 1.146 42 G CA 0.269 45.162 45.100 -0.344 0.000 0.769 42 G HN 0.367 nan 8.290 nan 0.000 0.547 43 R N 0.004 120.024 120.500 -0.800 0.000 2.096 43 R HA -0.026 4.314 4.340 0.001 0.000 0.235 43 R C 2.638 178.779 176.300 -0.265 0.000 1.127 43 R CA 1.085 56.847 56.100 -0.562 0.000 0.968 43 R CB -0.842 29.247 30.300 -0.352 0.000 0.861 43 R HN 0.354 nan 8.270 nan 0.000 0.440 44 V N 1.580 121.377 119.914 -0.194 0.000 2.343 44 V HA -0.251 3.870 4.120 0.001 0.000 0.247 44 V C 2.458 178.493 176.094 -0.097 0.000 1.051 44 V CA 1.669 63.901 62.300 -0.114 0.000 1.036 44 V CB -0.424 31.351 31.823 -0.081 0.000 0.654 44 V HN 0.269 nan 8.190 nan 0.000 0.451 45 M N -0.018 119.516 119.600 -0.110 0.000 2.080 45 M HA -0.180 4.300 4.480 0.001 0.000 0.260 45 M C 2.372 178.636 176.300 -0.059 0.000 1.068 45 M CA 2.254 57.512 55.300 -0.070 0.000 1.109 45 M CB -0.596 31.972 32.600 -0.053 0.000 1.342 45 M HN 0.394 nan 8.290 nan 0.000 0.405 46 A N -0.559 122.213 122.820 -0.081 0.000 1.972 46 A HA -0.065 4.255 4.320 0.001 0.000 0.219 46 A C 1.514 179.070 177.584 -0.046 0.000 1.169 46 A CA 0.912 52.921 52.037 -0.046 0.000 0.635 46 A CB -0.583 18.403 19.000 -0.023 0.000 0.810 46 A HN 0.420 nan 8.150 nan 0.000 0.446 47 S N -0.524 115.140 115.700 -0.060 0.000 2.537 47 S HA 0.336 4.806 4.470 0.001 0.000 0.286 47 S C 1.382 175.962 174.600 -0.033 0.000 1.299 47 S CA 0.118 58.291 58.200 -0.045 0.000 1.067 47 S CB 0.847 64.017 63.200 -0.050 0.000 0.864 47 S HN 0.813 nan 8.310 nan 0.000 0.494 48 A N 5.056 127.861 122.820 -0.025 0.000 2.024 48 A HA 0.004 4.325 4.320 0.001 0.000 0.220 48 A C 2.323 179.897 177.584 -0.018 0.000 1.164 48 A CA 1.866 53.892 52.037 -0.018 0.000 0.643 48 A CB -1.167 17.825 19.000 -0.014 0.000 0.806 48 A HN 1.222 nan 8.150 nan 0.000 0.451 49 A N 0.262 123.070 122.820 -0.020 0.000 2.070 49 A HA -0.045 4.275 4.320 0.001 0.000 0.220 49 A C 2.320 179.892 177.584 -0.019 0.000 1.159 49 A CA 1.929 53.955 52.037 -0.018 0.000 0.656 49 A CB -0.765 18.224 19.000 -0.020 0.000 0.800 49 A HN 1.050 nan 8.150 nan 0.000 0.453 50 S N -1.441 114.245 115.700 -0.024 0.000 2.562 50 S HA 0.370 4.840 4.470 0.001 0.000 0.221 50 S C 1.447 176.037 174.600 -0.018 0.000 0.975 50 S CA 1.019 59.205 58.200 -0.023 0.000 0.918 50 S CB -0.875 62.307 63.200 -0.031 0.000 0.772 50 S HN 1.887 nan 8.310 nan 0.000 0.531 51 G N 1.559 110.350 108.800 -0.015 0.000 2.574 51 G HA2 0.068 4.029 3.960 0.001 0.000 0.286 51 G HA3 0.068 4.029 3.960 0.001 0.000 0.286 51 G C 0.918 175.812 174.900 -0.010 0.000 1.212 51 G CA 0.209 45.302 45.100 -0.010 0.000 0.979 51 G HN 1.794 nan 8.290 nan 0.000 0.557 52 G N -0.964 107.831 108.800 -0.008 0.000 2.634 52 G HA2 0.003 3.964 3.960 0.001 0.000 0.309 52 G HA3 0.003 3.964 3.960 0.001 0.000 0.309 52 G C 0.916 175.813 174.900 -0.004 0.000 1.265 52 G CA 1.991 47.087 45.100 -0.007 0.000 0.998 52 G HN 2.429 nan 8.290 nan 0.000 0.551 53 S N 2.029 117.726 115.700 -0.006 0.000 2.562 53 S HA 0.590 5.060 4.470 0.001 0.000 0.275 53 S C -2.306 172.293 174.600 -0.001 0.000 1.281 53 S CA -0.693 57.507 58.200 -0.000 0.000 1.045 53 S CB 1.167 64.366 63.200 -0.002 0.000 0.962 53 S HN 0.510 nan 8.310 nan 0.000 0.503 54 P HA 0.167 nan 4.420 nan 0.000 0.262 54 P C -1.013 176.286 177.300 -0.002 0.000 1.199 54 P CA 0.231 63.333 63.100 0.002 0.000 0.763 54 P CB 0.430 32.137 31.700 0.012 0.000 0.790 55 T N 4.351 118.899 114.554 -0.010 0.000 2.848 55 T HA 0.499 4.849 4.350 0.001 0.000 0.285 55 T C -0.262 174.424 174.700 -0.025 0.000 0.995 55 T CA -0.507 61.587 62.100 -0.011 0.000 0.970 55 T CB 0.685 69.547 68.868 -0.009 0.000 0.976 55 T HN 0.111 nan 8.240 nan 0.000 0.441 56 L N 3.289 124.488 121.223 -0.039 0.000 2.295 56 L HA 0.561 4.901 4.340 0.001 0.000 0.285 56 L C -0.981 175.822 176.870 -0.111 0.000 1.035 56 L CA -1.091 53.674 54.840 -0.125 0.000 0.806 56 L CB 0.977 42.922 42.059 -0.190 0.000 1.214 56 L HN 0.634 nan 8.230 nan 0.000 0.426 57 Y N 3.367 123.488 120.300 -0.299 0.000 2.352 57 Y HA 0.527 5.077 4.550 0.001 0.000 0.339 57 Y C -1.232 174.479 175.900 -0.315 0.000 0.992 57 Y CA -1.059 56.922 58.100 -0.199 0.000 1.100 57 Y CB 1.137 39.543 38.460 -0.090 0.000 1.192 57 Y HN 0.280 nan 8.280 nan 0.000 0.458 58 F N 8.359 127.883 119.950 -0.710 0.000 2.361 58 F HA 0.460 4.987 4.527 0.001 0.000 0.364 58 F C -2.094 173.268 175.800 -0.730 0.000 1.117 58 F CA -2.493 55.193 58.000 -0.525 0.000 1.071 58 F CB 0.885 39.655 39.000 -0.384 0.000 1.188 58 F HN 0.395 nan 8.300 nan 0.000 0.464 59 P HA 0.055 nan 4.420 nan 0.000 0.275 59 P C -0.360 176.949 177.300 0.015 0.000 1.266 59 P CA -0.406 62.505 63.100 -0.315 0.000 0.793 59 P CB 0.815 32.460 31.700 -0.092 0.000 1.074 60 E N 1.163 121.404 120.200 0.069 0.000 2.481 60 E HA -0.026 4.324 4.350 0.001 0.000 0.263 60 E C -1.504 174.870 176.600 -0.378 0.000 0.992 60 E CA -1.028 55.352 56.400 -0.032 0.000 0.938 60 E CB -0.054 29.729 29.700 0.138 0.000 0.933 60 E HN 0.325 nan 8.360 nan 0.000 0.453 61 P HA -0.047 nan 4.420 nan 0.000 0.225 61 P C 0.393 177.144 177.300 -0.915 0.000 1.768 61 P CA 0.038 62.595 63.100 -0.905 0.000 0.943 61 P CB 0.175 31.328 31.700 -0.911 0.000 1.936 62 M N 2.257 121.547 119.600 -0.516 0.000 2.073 62 M HA -0.171 4.309 4.480 0.001 0.000 0.258 62 M C 2.083 178.349 176.300 -0.057 0.000 1.070 62 M CA 1.941 57.155 55.300 -0.143 0.000 1.103 62 M CB -1.617 30.971 32.600 -0.020 0.000 1.321 62 M HN 0.193 nan 8.290 nan 0.000 0.405 63 A N -1.811 120.931 122.820 -0.131 0.000 1.933 63 A HA -0.237 4.084 4.320 0.001 0.000 0.218 63 A C 2.235 179.785 177.584 -0.057 0.000 1.175 63 A CA 1.685 53.666 52.037 -0.093 0.000 0.628 63 A CB -1.321 17.591 19.000 -0.147 0.000 0.814 63 A HN 0.633 nan 8.150 nan 0.000 0.444 64 Y N -0.954 119.228 120.300 -0.197 0.000 2.128 64 Y HA -0.279 4.272 4.550 0.001 0.000 0.284 64 Y C 2.257 178.250 175.900 0.155 0.000 1.154 64 Y CA 2.071 60.134 58.100 -0.061 0.000 1.149 64 Y CB -0.161 38.211 38.460 -0.147 0.000 0.976 64 Y HN 0.486 nan 8.280 nan 0.000 0.505 65 W N 0.129 121.549 121.300 0.200 0.000 2.388 65 W HA -0.081 4.580 4.660 0.001 0.000 0.294 65 W C 2.238 178.760 176.519 0.005 0.000 1.212 65 W CA 1.290 58.667 57.345 0.053 0.000 1.271 65 W CB -0.617 28.833 29.460 -0.018 0.000 1.126 65 W HN 0.148 nan 8.180 nan 0.000 0.535 66 R N -1.737 118.903 120.500 0.234 0.000 2.225 66 R HA 0.064 4.404 4.340 0.001 0.000 0.194 66 R C 1.902 178.239 176.300 0.061 0.000 0.949 66 R CA 1.658 57.835 56.100 0.128 0.000 1.088 66 R CB -0.301 30.072 30.300 0.123 0.000 1.106 66 R HN 0.122 nan 8.270 nan 0.000 0.566 67 T N -2.105 112.457 114.554 0.013 0.000 2.954 67 T HA 0.247 4.597 4.350 0.001 0.000 0.252 67 T C 1.867 176.489 174.700 -0.130 0.000 0.983 67 T CA -0.250 61.824 62.100 -0.044 0.000 0.941 67 T CB 0.099 68.933 68.868 -0.058 0.000 1.141 67 T HN -0.058 nan 8.240 nan 0.000 0.500 68 L N -0.361 120.722 121.223 -0.233 0.000 2.201 68 L HA 0.270 4.610 4.340 0.001 0.000 0.212 68 L C 0.373 176.813 176.870 -0.718 0.000 1.105 68 L CA 1.031 55.550 54.840 -0.535 0.000 0.775 68 L CB -0.244 41.333 42.059 -0.803 0.000 0.913 68 L HN 0.222 nan 8.230 nan 0.000 0.440 69 F N -1.430 118.438 119.950 -0.137 0.000 2.631 69 F HA 0.235 4.763 4.527 0.000 0.000 0.350 69 F C 1.633 177.407 175.800 -0.044 0.000 1.080 69 F CA -0.908 57.037 58.000 -0.093 0.000 1.026 69 F CB 0.416 39.360 39.000 -0.094 0.000 1.347 69 F HN -0.248 nan 8.300 nan 0.000 0.501 70 E N -0.407 119.913 120.200 0.200 0.000 2.106 70 E HA -0.048 4.302 4.350 0.001 0.000 0.192 70 E C 0.089 176.750 176.600 0.101 0.000 0.984 70 E CA 1.198 57.663 56.400 0.108 0.000 0.806 70 E CB -0.320 29.435 29.700 0.092 0.000 0.750 70 E HN 0.416 nan 8.360 nan 0.000 0.458 71 T N 1.814 116.446 114.554 0.130 0.000 2.795 71 T HA 0.128 4.479 4.350 0.001 0.000 0.282 71 T C -0.440 174.320 174.700 0.101 0.000 0.980 71 T CA -0.657 61.514 62.100 0.117 0.000 1.012 71 T CB 1.627 70.592 68.868 0.161 0.000 0.936 71 T HN -0.089 nan 8.240 nan 0.000 0.457 72 D N 2.934 123.362 120.400 0.047 0.000 2.339 72 D HA 0.102 4.743 4.640 0.001 0.000 0.241 72 D C 1.484 177.718 176.300 -0.110 0.000 1.183 72 D CA -0.636 53.368 54.000 0.006 0.000 0.859 72 D CB 1.197 42.001 40.800 0.006 0.000 1.067 72 D HN 0.328 nan 8.370 nan 0.000 0.484 73 V N 3.260 123.068 119.914 -0.178 0.000 2.626 73 V HA -0.123 3.998 4.120 0.001 0.000 0.252 73 V C 2.082 177.866 176.094 -0.518 0.000 1.067 73 V CA 0.943 62.973 62.300 -0.450 0.000 1.081 73 V CB -0.610 30.846 31.823 -0.612 0.000 0.686 73 V HN 0.551 nan 8.190 nan 0.000 0.468 74 I N 1.987 122.388 120.570 -0.282 0.000 2.163 74 I HA -0.187 3.983 4.170 0.001 0.000 0.240 74 I C 3.001 179.169 176.117 0.085 0.000 1.081 74 I CA 1.996 63.316 61.300 0.033 0.000 1.353 74 I CB -0.408 37.662 38.000 0.117 0.000 1.054 74 I HN 0.548 nan 8.210 nan 0.000 0.407 75 S N 0.773 116.466 115.700 -0.011 0.000 2.382 75 S HA -0.113 4.358 4.470 0.001 0.000 0.228 75 S C 2.163 176.699 174.600 -0.106 0.000 1.027 75 S CA 1.238 59.435 58.200 -0.006 0.000 0.991 75 S CB -1.028 62.162 63.200 -0.018 0.000 0.823 75 S HN 0.474 nan 8.310 nan 0.000 0.469 76 G N 1.518 110.116 108.800 -0.335 0.000 2.404 76 G HA2 -0.085 3.876 3.960 0.001 0.000 0.215 76 G HA3 -0.085 3.876 3.960 0.001 0.000 0.215 76 G C 1.449 175.882 174.900 -0.779 0.000 1.174 76 G CA 0.789 45.474 45.100 -0.690 0.000 0.780 76 G HN 0.560 nan 8.290 nan 0.000 0.537 77 I N -0.964 119.179 120.570 -0.710 0.000 2.252 77 I HA -0.100 4.070 4.170 0.001 0.000 0.245 77 I C 2.448 178.417 176.117 -0.247 0.000 1.102 77 I CA 1.114 62.196 61.300 -0.364 0.000 1.385 77 I CB 0.074 37.959 38.000 -0.191 0.000 1.064 77 I HN 0.264 nan 8.210 nan 0.000 0.414 78 Y N 0.228 120.473 120.300 -0.091 0.000 2.263 78 Y HA -0.254 4.297 4.550 0.001 0.000 0.292 78 Y C 2.249 178.129 175.900 -0.032 0.000 1.130 78 Y CA 1.651 59.727 58.100 -0.041 0.000 1.179 78 Y CB -0.474 37.963 38.460 -0.038 0.000 0.998 78 Y HN 0.269 nan 8.280 nan 0.000 0.532 79 D N -0.662 119.782 120.400 0.074 0.000 2.144 79 D HA -0.147 4.493 4.640 0.001 0.000 0.200 79 D C 1.967 178.296 176.300 0.049 0.000 0.978 79 D CA 1.776 55.804 54.000 0.046 0.000 0.833 79 D CB -0.089 40.721 40.800 0.017 0.000 0.961 79 D HN 0.150 nan 8.370 nan 0.000 0.470 80 T N 0.335 114.914 114.554 0.043 0.000 2.665 80 T HA -0.190 4.160 4.350 0.001 0.000 0.268 80 T C 1.678 176.418 174.700 0.065 0.000 1.035 80 T CA 1.399 63.550 62.100 0.086 0.000 1.151 80 T CB -0.249 68.710 68.868 0.151 0.000 0.862 80 T HN 0.276 nan 8.240 nan 0.000 0.438 81 Q N 1.039 120.870 119.800 0.052 0.000 2.364 81 Q HA 0.073 4.414 4.340 0.001 0.000 0.207 81 Q C 1.381 177.412 176.000 0.053 0.000 0.970 81 Q CA 0.630 56.462 55.803 0.049 0.000 0.888 81 Q CB -1.333 27.434 28.738 0.048 0.000 0.951 81 Q HN 0.797 nan 8.270 nan 0.000 0.469 94 A N 1.509 124.348 122.820 0.031 0.000 1.908 94 A HA 0.057 4.377 4.320 0.001 0.000 0.218 94 A C 2.229 179.842 177.584 0.049 0.000 1.181 94 A CA 2.887 54.951 52.037 0.046 0.000 0.627 94 A CB -0.687 18.338 19.000 0.042 0.000 0.818 94 A HN 0.285 nan 8.150 nan 0.000 0.445 95 A N -0.418 122.424 122.820 0.037 0.000 1.972 95 A HA -0.022 4.298 4.320 0.001 0.000 0.219 95 A C 2.150 179.759 177.584 0.041 0.000 1.169 95 A CA 1.543 53.603 52.037 0.038 0.000 0.635 95 A CB -0.522 18.497 19.000 0.031 0.000 0.810 95 A HN 0.497 nan 8.150 nan 0.000 0.446 96 L N -0.459 120.781 121.223 0.029 0.000 2.068 96 L HA -0.080 4.261 4.340 0.001 0.000 0.204 96 L C 2.400 179.281 176.870 0.018 0.000 1.076 96 L CA 0.590 55.441 54.840 0.019 0.000 0.753 96 L CB -0.512 41.546 42.059 -0.002 0.000 0.910 96 L HN 0.291 nan 8.230 nan 0.000 0.439 97 I N -0.023 120.556 120.570 0.015 0.000 2.208 97 I HA -0.263 3.907 4.170 0.001 0.000 0.245 97 I C 2.520 178.671 176.117 0.057 0.000 1.097 97 I CA 1.725 63.021 61.300 -0.007 0.000 1.363 97 I CB -1.248 36.781 38.000 0.048 0.000 1.051 97 I HN 0.296 nan 8.210 nan 0.000 0.413 98 T N 1.310 115.940 114.554 0.128 0.000 2.720 98 T HA -0.126 4.225 4.350 0.001 0.000 0.268 98 T C 2.071 176.848 174.700 0.129 0.000 1.037 98 T CA 1.578 63.777 62.100 0.165 0.000 1.144 98 T CB -0.256 68.672 68.868 0.100 0.000 0.864 98 T HN 0.493 nan 8.240 nan 0.000 0.444 99 A N 0.830 123.702 122.820 0.087 0.000 1.902 99 A HA -0.157 4.163 4.320 0.001 0.000 0.217 99 A C 2.046 179.676 177.584 0.076 0.000 1.181 99 A CA 2.065 54.149 52.037 0.078 0.000 0.623 99 A CB -0.858 18.181 19.000 0.064 0.000 0.818 99 A HN 0.608 nan 8.150 nan 0.000 0.443 100 H N -1.926 117.107 119.070 -0.063 0.000 2.423 100 H HA -0.088 4.468 4.556 0.001 0.000 0.297 100 H C 1.651 176.901 175.328 -0.129 0.000 1.075 100 H CA 1.795 57.761 56.048 -0.137 0.000 1.342 100 H CB -0.344 29.266 29.762 -0.253 0.000 1.395 100 H HN 0.632 nan 8.280 nan 0.000 0.530 101 Y N -0.499 119.746 120.300 -0.093 0.000 2.200 101 Y HA -0.219 4.332 4.550 0.001 0.000 0.290 101 Y C 2.674 178.561 175.900 -0.021 0.000 1.137 101 Y CA 0.912 58.929 58.100 -0.138 0.000 1.163 101 Y CB 0.071 38.505 38.460 -0.043 0.000 0.988 101 Y HN 0.236 nan 8.280 nan 0.000 0.518 102 Q N 0.223 120.171 119.800 0.247 0.000 2.170 102 Q HA -0.152 4.188 4.340 0.001 0.000 0.203 102 Q C 2.275 178.374 176.000 0.165 0.000 0.976 102 Q CA 1.662 57.620 55.803 0.259 0.000 0.858 102 Q CB -0.434 28.376 28.738 0.120 0.000 0.907 102 Q HN 0.277 nan 8.270 nan 0.000 0.433 103 S N -0.124 115.596 115.700 0.033 0.000 2.356 103 S HA -0.121 4.350 4.470 0.001 0.000 0.223 103 S C 1.768 176.361 174.600 -0.013 0.000 1.032 103 S CA 1.194 59.389 58.200 -0.008 0.000 1.005 103 S CB -0.111 63.050 63.200 -0.064 0.000 0.867 103 S HN 0.421 nan 8.310 nan 0.000 0.449 104 R N -0.302 120.122 120.500 -0.126 0.000 2.148 104 R HA 0.005 4.345 4.340 0.001 0.000 0.227 104 R C 1.881 178.212 176.300 0.050 0.000 1.103 104 R CA 1.009 57.056 56.100 -0.089 0.000 0.983 104 R CB -0.450 29.731 30.300 -0.197 0.000 0.874 104 R HN 0.389 nan 8.270 nan 0.000 0.451 105 F N 0.832 120.785 119.950 0.004 0.000 2.161 105 F HA -0.239 4.288 4.527 0.000 0.000 0.300 105 F C 2.873 178.914 175.800 0.401 0.000 1.089 105 F CA 1.851 59.874 58.000 0.038 0.000 1.282 105 F CB -0.470 38.364 39.000 -0.277 0.000 1.010 105 F HN 0.142 nan 8.300 nan 0.000 0.485 106 T N -3.901 110.881 114.554 0.380 0.000 2.951 106 T HA -0.112 4.238 4.350 0.001 0.000 0.268 106 T C 1.849 176.699 174.700 0.249 0.000 1.073 106 T CA 1.447 63.732 62.100 0.308 0.000 1.134 106 T CB -0.848 68.107 68.868 0.144 0.000 0.884 106 T HN 0.159 nan 8.240 nan 0.000 0.479 107 T N 3.391 118.039 114.554 0.157 0.000 2.570 107 T HA -0.075 4.275 4.350 0.001 0.000 0.266 107 T C -0.312 174.291 174.700 -0.163 0.000 1.071 107 T CA 1.907 64.010 62.100 0.005 0.000 1.172 107 T CB -1.439 67.446 68.868 0.029 0.000 0.864 107 T HN 0.471 nan 8.240 nan 0.000 0.421 108 P HA -0.065 nan 4.420 nan 0.000 0.221 108 P C 0.821 177.971 177.300 -0.251 0.000 1.150 108 P CA 1.182 63.947 63.100 -0.558 0.000 0.800 108 P CB -0.194 31.032 31.700 -0.790 0.000 0.787 109 Y N 0.296 120.577 120.300 -0.032 0.000 2.200 109 Y HA -0.102 4.448 4.550 0.001 0.000 0.290 109 Y C 2.692 178.551 175.900 -0.069 0.000 1.137 109 Y CA 1.143 59.230 58.100 -0.021 0.000 1.163 109 Y CB -1.310 37.162 38.460 0.020 0.000 0.988 109 Y HN -0.206 nan 8.280 nan 0.000 0.518 110 L N -0.829 120.443 121.223 0.081 0.000 2.046 110 L HA -0.234 4.106 4.340 0.001 0.000 0.208 110 L C 2.190 179.074 176.870 0.022 0.000 1.077 110 L CA 1.333 56.185 54.840 0.021 0.000 0.747 110 L CB -0.663 41.402 42.059 0.011 0.000 0.896 110 L HN 0.233 nan 8.230 nan 0.000 0.432 111 I N -0.433 120.132 120.570 -0.010 0.000 2.142 111 I HA -0.316 3.855 4.170 0.001 0.000 0.240 111 I C 2.511 178.624 176.117 -0.007 0.000 1.078 111 I CA 1.124 62.422 61.300 -0.003 0.000 1.343 111 I CB -0.206 37.783 38.000 -0.019 0.000 1.046 111 I HN 0.193 nan 8.210 nan 0.000 0.405 112 L N 0.185 121.361 121.223 -0.079 0.000 2.012 112 L HA -0.297 4.044 4.340 0.001 0.000 0.210 112 L C 2.662 179.469 176.870 -0.104 0.000 1.073 112 L CA 2.013 56.747 54.840 -0.177 0.000 0.748 112 L CB -0.942 40.840 42.059 -0.462 0.000 0.891 112 L HN 0.299 nan 8.230 nan 0.000 0.431 113 H N -0.715 118.257 119.070 -0.164 0.000 2.353 113 H HA -0.169 4.387 4.556 0.001 0.000 0.300 113 H C 1.716 176.964 175.328 -0.134 0.000 1.090 113 H CA 1.953 57.899 56.048 -0.169 0.000 1.327 113 H CB 0.139 29.801 29.762 -0.167 0.000 1.383 113 H HN 0.425 nan 8.280 nan 0.000 0.508 114 D N -0.563 119.862 120.400 0.042 0.000 2.123 114 D HA -0.159 4.481 4.640 0.001 0.000 0.196 114 D C 2.173 178.440 176.300 -0.055 0.000 0.992 114 D CA 1.310 55.311 54.000 0.002 0.000 0.833 114 D CB -0.396 40.425 40.800 0.036 0.000 0.954 114 D HN 0.518 nan 8.370 nan 0.000 0.455 115 H N -0.091 118.900 119.070 -0.131 0.000 2.357 115 H HA -0.061 4.495 4.556 0.001 0.000 0.301 115 H C 1.957 177.136 175.328 -0.248 0.000 1.082 115 H CA 2.618 58.578 56.048 -0.146 0.000 1.342 115 H CB -0.157 29.546 29.762 -0.100 0.000 1.389 115 H HN 0.146 nan 8.280 nan 0.000 0.511 116 T N -3.210 111.077 114.554 -0.446 0.000 3.043 116 T HA -0.065 4.285 4.350 0.001 0.000 0.263 116 T C 2.280 176.226 174.700 -1.256 0.000 1.094 116 T CA 0.760 62.431 62.100 -0.715 0.000 1.127 116 T CB -1.063 67.544 68.868 -0.435 0.000 0.905 116 T HN 0.377 nan 8.240 nan 0.000 0.490 117 C N 3.112 121.855 119.300 -0.929 0.000 2.422 117 C HA 0.010 4.470 4.460 0.001 0.000 0.286 117 C C 2.966 177.623 174.990 -0.555 0.000 1.412 117 C CA 1.292 59.829 59.018 -0.802 0.000 1.786 117 C CB -1.540 25.960 27.740 -0.400 0.000 1.835 117 C HN 0.833 nan 8.230 nan 0.000 0.533 118 T N -2.195 112.070 114.554 -0.481 0.000 3.148 118 T HA 0.152 4.502 4.350 0.001 0.000 0.253 118 T C 1.088 175.602 174.700 -0.309 0.000 1.134 118 T CA 0.817 62.732 62.100 -0.309 0.000 1.051 118 T CB -0.236 68.486 68.868 -0.242 0.000 0.959 118 T HN 0.521 nan 8.240 nan 0.000 0.525 119 L N -1.826 119.114 121.223 -0.472 0.000 2.749 119 L HA 0.445 4.785 4.340 0.001 0.000 0.242 119 L C 1.744 178.531 176.870 -0.139 0.000 1.103 119 L CA -0.161 54.494 54.840 -0.309 0.000 0.906 119 L CB -0.141 41.721 42.059 -0.328 0.000 1.228 119 L HN 0.153 nan 8.230 nan 0.000 0.517 120 F N 1.488 121.406 119.950 -0.054 0.000 2.234 120 F HA 0.097 4.624 4.527 0.001 0.000 0.299 120 F C 1.783 177.577 175.800 -0.010 0.000 1.087 120 F CA 0.506 58.493 58.000 -0.023 0.000 1.340 120 F CB -0.371 38.614 39.000 -0.024 0.000 1.031 120 F HN 0.208 nan 8.300 nan 0.000 0.500 121 G N 0.084 108.972 108.800 0.146 0.000 2.828 121 G HA2 0.041 4.001 3.960 0.001 0.000 0.463 121 G HA3 0.041 4.001 3.960 0.001 0.000 0.463 121 G C 0.081 175.041 174.900 0.099 0.000 1.394 121 G CA -0.783 44.370 45.100 0.090 0.000 0.862 121 G HN 0.604 nan 8.290 nan 0.000 0.540 122 G N -1.818 107.021 108.800 0.064 0.000 2.940 122 G HA2 0.587 4.547 3.960 0.001 0.000 0.164 122 G HA3 0.587 4.547 3.960 0.001 0.000 0.164 122 G C 0.540 175.468 174.900 0.048 0.000 1.326 122 G CA 0.570 45.704 45.100 0.056 0.000 1.020 122 G HN 1.782 nan 8.290 nan 0.000 0.586 123 N N -0.571 118.151 118.700 0.037 0.000 2.738 123 N HA -0.176 4.564 4.740 0.001 0.000 0.249 123 N C 0.227 175.758 175.510 0.034 0.000 1.047 123 N CA 0.964 54.032 53.050 0.031 0.000 0.707 123 N CB -1.147 37.355 38.487 0.025 0.000 0.937 123 N HN 0.528 nan 8.380 nan 0.000 0.545 124 S N 0.246 115.969 115.700 0.039 0.000 2.525 124 S HA 0.389 4.860 4.470 0.001 0.000 0.285 124 S C -0.024 174.598 174.600 0.037 0.000 1.283 124 S CA -0.072 58.152 58.200 0.040 0.000 1.072 124 S CB 0.444 63.671 63.200 0.045 0.000 0.867 124 S HN 0.320 nan 8.310 nan 0.000 0.492 125 L N 3.811 125.057 121.223 0.038 0.000 2.540 125 L HA 0.414 4.755 4.340 0.001 0.000 0.256 125 L C -0.808 176.090 176.870 0.046 0.000 1.001 125 L CA -0.360 54.503 54.840 0.039 0.000 0.843 125 L CB 2.114 44.191 42.059 0.032 0.000 1.436 125 L HN 0.751 nan 8.230 nan 0.000 0.410 126 Q N 2.256 122.087 119.800 0.052 0.000 2.452 126 Q HA 0.267 4.607 4.340 0.001 0.000 0.230 126 Q C 0.409 176.436 176.000 0.045 0.000 1.180 126 Q CA -0.079 55.760 55.803 0.060 0.000 0.914 126 Q CB 0.728 29.511 28.738 0.076 0.000 1.408 126 Q HN 0.378 nan 8.270 nan 0.000 0.520 127 R N 0.907 121.430 120.500 0.038 0.000 2.246 127 R HA 0.027 4.367 4.340 0.001 0.000 0.199 127 R C 1.368 177.684 176.300 0.027 0.000 0.984 127 R CA 0.641 56.758 56.100 0.029 0.000 1.015 127 R CB 0.265 30.579 30.300 0.024 0.000 0.930 127 R HN 0.934 nan 8.270 nan 0.000 0.475 128 G N 0.888 109.706 108.800 0.030 0.000 2.284 128 G HA2 -0.364 3.596 3.960 0.001 0.000 0.261 128 G HA3 -0.364 3.596 3.960 0.001 0.000 0.261 128 G C 0.512 175.423 174.900 0.018 0.000 0.997 128 G CA 0.977 46.092 45.100 0.026 0.000 0.621 128 G HN 0.483 nan 8.290 nan 0.000 0.534 129 T N -1.146 113.418 114.554 0.016 0.000 2.897 129 T HA 0.676 5.026 4.350 0.001 0.000 0.278 129 T C -0.015 174.691 174.700 0.010 0.000 0.981 129 T CA -0.623 61.485 62.100 0.013 0.000 0.973 129 T CB 1.662 70.540 68.868 0.015 0.000 1.092 129 T HN 0.191 nan 8.240 nan 0.000 0.543 130 Q N 2.122 121.928 119.800 0.009 0.000 2.313 130 Q HA 0.303 4.644 4.340 0.001 0.000 0.266 130 Q C -1.990 174.018 176.000 0.013 0.000 0.989 130 Q CA -1.499 54.309 55.803 0.008 0.000 0.890 130 Q CB 0.555 29.298 28.738 0.008 0.000 1.200 130 Q HN 0.559 nan 8.270 nan 0.000 0.396 131 P HA 0.119 nan 4.420 nan 0.000 0.276 131 P C -0.028 177.289 177.300 0.029 0.000 1.261 131 P CA -0.375 62.737 63.100 0.020 0.000 0.800 131 P CB 0.963 32.671 31.700 0.014 0.000 1.066 132 D N -0.620 119.805 120.400 0.042 0.000 2.144 132 D HA -0.026 4.614 4.640 0.001 0.000 0.199 132 D C 0.883 177.213 176.300 0.049 0.000 0.984 132 D CA 1.607 55.642 54.000 0.058 0.000 0.834 132 D CB -0.018 40.833 40.800 0.086 0.000 0.955 132 D HN 0.340 nan 8.370 nan 0.000 0.465 133 L N -3.483 117.765 121.223 0.042 0.000 2.469 133 L HA 0.619 4.960 4.340 0.001 0.000 0.256 133 L C -0.865 176.018 176.870 0.021 0.000 1.006 133 L CA -0.737 54.121 54.840 0.031 0.000 0.832 133 L CB 2.317 44.397 42.059 0.036 0.000 1.421 133 L HN -0.432 nan 8.230 nan 0.000 0.410 134 T N 2.154 116.715 114.554 0.011 0.000 2.841 134 T HA 0.736 5.086 4.350 0.001 0.000 0.283 134 T C -0.552 174.150 174.700 0.003 0.000 1.000 134 T CA -0.371 61.729 62.100 -0.000 0.000 0.977 134 T CB 1.308 70.171 68.868 -0.008 0.000 0.979 134 T HN 0.572 nan 8.240 nan 0.000 0.446 135 L N 2.649 123.867 121.223 -0.009 0.000 2.307 135 L HA 0.721 5.062 4.340 0.001 0.000 0.284 135 L C -0.634 176.191 176.870 -0.075 0.000 1.023 135 L CA -1.134 53.685 54.840 -0.036 0.000 0.810 135 L CB 1.559 43.595 42.059 -0.037 0.000 1.231 135 L HN 0.292 nan 8.230 nan 0.000 0.423 136 V N 3.332 123.216 119.914 -0.051 0.000 2.378 136 V HA 0.386 4.507 4.120 0.001 0.000 0.288 136 V C -0.495 175.605 176.094 0.010 0.000 1.016 136 V CA -0.347 61.987 62.300 0.057 0.000 0.840 136 V CB 1.320 33.263 31.823 0.199 0.000 0.994 136 V HN 0.386 nan 8.190 nan 0.000 0.431 137 F N 2.444 122.452 119.950 0.096 0.000 2.410 137 F HA 0.348 4.875 4.527 0.001 0.000 0.349 137 F C 0.810 176.774 175.800 0.273 0.000 1.117 137 F CA -0.457 57.622 58.000 0.132 0.000 1.104 137 F CB 1.083 40.084 39.000 0.002 0.000 1.122 137 F HN 0.414 nan 8.300 nan 0.000 0.483 138 D N 5.927 126.574 120.400 0.411 0.000 2.359 138 D HA 0.184 4.825 4.640 0.001 0.000 0.250 138 D C -0.020 176.609 176.300 0.549 0.000 1.264 138 D CA 0.293 54.561 54.000 0.447 0.000 0.911 138 D CB 0.069 41.077 40.800 0.347 0.000 1.056 138 D HN 0.616 nan 8.370 nan 0.000 0.499 139 R N 1.414 122.204 120.500 0.483 0.000 0.993 139 R HA -0.184 4.156 4.340 0.001 0.000 0.431 139 R C -0.103 176.447 176.300 0.417 0.000 1.365 139 R CA 0.040 56.369 56.100 0.383 0.000 1.251 139 R CB -0.678 29.745 30.300 0.204 0.000 3.538 139 R HN 0.638 nan 8.270 nan 0.000 0.512 140 H N 3.329 122.468 119.070 0.114 0.000 2.496 140 H HA 0.198 4.754 4.556 0.001 0.000 0.342 140 H C -1.696 173.446 175.328 -0.311 0.000 1.170 140 H CA -2.086 53.854 56.048 -0.180 0.000 1.274 140 H CB 1.702 31.236 29.762 -0.379 0.000 1.538 140 H HN 0.229 nan 8.280 nan 0.000 0.542 141 P HA -0.184 nan 4.420 nan 0.000 0.219 141 P C 1.559 178.736 177.300 -0.205 0.000 1.144 141 P CA 0.742 63.551 63.100 -0.485 0.000 0.806 141 P CB 0.192 31.521 31.700 -0.618 0.000 0.771 142 V N -0.320 119.649 119.914 0.090 0.000 2.568 142 V HA -0.280 3.840 4.120 0.001 0.000 0.253 142 V C 2.092 178.177 176.094 -0.016 0.000 1.072 142 V CA 2.183 64.511 62.300 0.047 0.000 1.084 142 V CB -1.254 30.584 31.823 0.024 0.000 0.676 142 V HN 0.095 nan 8.190 nan 0.000 0.469 143 A N 0.317 123.148 122.820 0.019 0.000 1.865 143 A HA -0.226 4.094 4.320 0.001 0.000 0.217 143 A C 2.522 180.183 177.584 0.129 0.000 1.191 143 A CA 2.835 54.963 52.037 0.152 0.000 0.623 143 A CB -0.909 18.198 19.000 0.178 0.000 0.826 143 A HN 0.849 nan 8.150 nan 0.000 0.444 144 S N -1.482 114.191 115.700 -0.045 0.000 2.486 144 S HA -0.047 4.424 4.470 0.001 0.000 0.220 144 S C 1.663 176.269 174.600 0.009 0.000 1.011 144 S CA 1.316 59.490 58.200 -0.042 0.000 0.921 144 S CB -0.651 62.559 63.200 0.017 0.000 0.785 144 S HN 0.753 nan 8.310 nan 0.000 0.517 145 T N -1.486 113.060 114.554 -0.012 0.000 3.037 145 T HA 0.335 4.686 4.350 0.001 0.000 0.252 145 T C 1.352 176.046 174.700 -0.010 0.000 1.073 145 T CA 0.524 62.619 62.100 -0.008 0.000 1.091 145 T CB 0.150 68.998 68.868 -0.033 0.000 0.935 145 T HN 0.247 nan 8.240 nan 0.000 0.488 146 V N -0.305 119.596 119.914 -0.023 0.000 3.278 146 V HA 0.121 4.242 4.120 0.001 0.000 0.215 146 V C 2.701 178.745 176.094 -0.082 0.000 1.287 146 V CA 0.171 62.442 62.300 -0.048 0.000 1.302 146 V CB -0.432 31.340 31.823 -0.085 0.000 1.228 146 V HN 0.455 nan 8.190 nan 0.000 0.523 147 C N 0.541 119.759 119.300 -0.137 0.000 2.436 147 C HA -0.121 4.339 4.460 0.001 0.000 0.277 147 C C 2.575 177.466 174.990 -0.165 0.000 1.241 147 C CA 1.329 60.178 59.018 -0.282 0.000 1.721 147 C CB -1.062 26.307 27.740 -0.618 0.000 2.043 147 C HN 0.556 nan 8.230 nan 0.000 0.472 148 F N 1.090 120.965 119.950 -0.125 0.000 2.163 148 F HA 0.014 4.541 4.527 0.000 0.000 0.297 148 F C -0.140 175.604 175.800 -0.093 0.000 1.094 148 F CA 1.461 59.400 58.000 -0.102 0.000 1.290 148 F CB -2.046 36.850 39.000 -0.173 0.000 1.017 148 F HN 0.163 nan 8.300 nan 0.000 0.483 149 P HA -0.212 nan 4.420 nan 0.000 0.215 149 P C 1.509 178.829 177.300 0.033 0.000 1.153 149 P CA 2.288 65.418 63.100 0.051 0.000 0.853 149 P CB -0.213 31.508 31.700 0.034 0.000 0.788 150 A N 0.031 122.839 122.820 -0.020 0.000 1.883 150 A HA -0.159 4.161 4.320 0.001 0.000 0.217 150 A C 2.355 179.936 177.584 -0.005 0.000 1.186 150 A CA 2.331 54.348 52.037 -0.033 0.000 0.624 150 A CB -1.675 17.250 19.000 -0.126 0.000 0.822 150 A HN 0.192 nan 8.150 nan 0.000 0.444 151 A N -0.438 122.334 122.820 -0.081 0.000 1.883 151 A HA -0.204 4.117 4.320 0.001 0.000 0.217 151 A C 2.235 179.793 177.584 -0.043 0.000 1.186 151 A CA 1.678 53.658 52.037 -0.094 0.000 0.624 151 A CB -0.493 18.407 19.000 -0.168 0.000 0.822 151 A HN 0.425 nan 8.150 nan 0.000 0.444 152 R N -1.720 118.778 120.500 -0.004 0.000 2.096 152 R HA -0.142 4.198 4.340 0.001 0.000 0.235 152 R C 2.084 178.397 176.300 0.022 0.000 1.127 152 R CA 1.688 57.794 56.100 0.011 0.000 0.968 152 R CB -1.085 29.234 30.300 0.032 0.000 0.861 152 R HN 0.791 nan 8.270 nan 0.000 0.440 153 Y N 1.607 121.870 120.300 -0.062 0.000 2.145 153 Y HA -0.146 4.404 4.550 0.001 0.000 0.286 153 Y C 2.091 177.945 175.900 -0.077 0.000 1.145 153 Y CA 1.408 59.466 58.100 -0.071 0.000 1.148 153 Y CB -0.522 37.880 38.460 -0.096 0.000 0.981 153 Y HN -0.096 nan 8.280 nan 0.000 0.507 154 L N -0.032 121.027 121.223 -0.272 0.000 2.191 154 L HA -0.203 4.137 4.340 0.001 0.000 0.212 154 L C 2.041 178.745 176.870 -0.277 0.000 1.103 154 L CA 1.045 55.682 54.840 -0.340 0.000 0.769 154 L CB -0.445 41.538 42.059 -0.126 0.000 0.908 154 L HN 0.293 nan 8.230 nan 0.000 0.438 155 L N -0.466 120.647 121.223 -0.183 0.000 2.591 155 L HA 0.159 4.499 4.340 0.001 0.000 0.228 155 L C 1.413 178.202 176.870 -0.135 0.000 1.133 155 L CA 0.420 55.182 54.840 -0.130 0.000 0.880 155 L CB -0.367 41.651 42.059 -0.068 0.000 1.033 155 L HN 0.438 nan 8.230 nan 0.000 0.450 156 G N -0.001 108.681 108.800 -0.197 0.000 2.160 156 G HA2 -0.280 3.681 3.960 0.001 0.000 0.251 156 G HA3 -0.280 3.681 3.960 0.001 0.000 0.251 156 G C 0.394 175.250 174.900 -0.073 0.000 1.008 156 G CA 0.453 45.459 45.100 -0.157 0.000 0.724 156 G HN 0.342 nan 8.290 nan 0.000 0.514 157 D N -0.482 119.890 120.400 -0.047 0.000 2.350 157 D HA 0.314 4.955 4.640 0.001 0.000 0.213 157 D C 1.252 177.566 176.300 0.023 0.000 1.031 157 D CA 0.699 54.695 54.000 -0.007 0.000 0.861 157 D CB 0.194 40.991 40.800 -0.003 0.000 0.926 157 D HN 0.525 nan 8.370 nan 0.000 0.520 158 M N -0.335 119.290 119.600 0.041 0.000 2.465 158 M HA 0.165 4.645 4.480 0.001 0.000 0.284 158 M C -0.675 175.710 176.300 0.142 0.000 1.212 158 M CA -0.600 54.751 55.300 0.085 0.000 0.910 158 M CB 2.539 35.202 32.600 0.105 0.000 1.725 158 M HN -0.196 nan 8.290 nan 0.000 0.477 159 S N 1.104 116.881 115.700 0.128 0.000 2.669 159 S HA 0.320 4.791 4.470 0.001 0.000 0.270 159 S C 0.669 175.370 174.600 0.168 0.000 1.225 159 S CA -0.635 57.663 58.200 0.163 0.000 0.991 159 S CB 1.146 64.395 63.200 0.082 0.000 0.987 159 S HN 0.848 nan 8.310 nan 0.000 0.552 160 M N 1.213 120.884 119.600 0.119 0.000 2.149 160 M HA -0.058 4.423 4.480 0.001 0.000 0.261 160 M C 2.118 178.359 176.300 -0.097 0.000 1.064 160 M CA 1.510 56.702 55.300 -0.179 0.000 1.102 160 M CB -1.428 31.061 32.600 -0.184 0.000 1.369 160 M HN 0.905 nan 8.290 nan 0.000 0.408 161 C N 0.133 119.418 119.300 -0.025 0.000 2.413 161 C HA -0.085 4.376 4.460 0.001 0.000 0.276 161 C C 2.812 177.803 174.990 0.002 0.000 1.236 161 C CA 1.509 60.523 59.018 -0.007 0.000 1.735 161 C CB -1.664 26.084 27.740 0.013 0.000 2.031 161 C HN 0.692 nan 8.230 nan 0.000 0.474 162 A N -0.070 122.759 122.820 0.016 0.000 1.902 162 A HA -0.092 4.228 4.320 0.001 0.000 0.217 162 A C 2.073 179.665 177.584 0.014 0.000 1.181 162 A CA 1.820 53.872 52.037 0.025 0.000 0.623 162 A CB -0.818 18.209 19.000 0.045 0.000 0.818 162 A HN 0.648 nan 8.150 nan 0.000 0.443 163 L N -0.861 120.353 121.223 -0.016 0.000 2.017 163 L HA -0.161 4.180 4.340 0.001 0.000 0.208 163 L C 2.357 179.225 176.870 -0.003 0.000 1.073 163 L CA 2.049 56.865 54.840 -0.039 0.000 0.745 163 L CB -0.515 41.429 42.059 -0.192 0.000 0.894 163 L HN 0.303 nan 8.230 nan 0.000 0.432 164 M N -0.508 119.088 119.600 -0.007 0.000 2.108 164 M HA -0.194 4.286 4.480 0.001 0.000 0.261 164 M C 2.413 178.713 176.300 -0.001 0.000 1.066 164 M CA 1.889 57.188 55.300 -0.002 0.000 1.107 164 M CB -1.597 30.996 32.600 -0.012 0.000 1.356 164 M HN 0.483 nan 8.290 nan 0.000 0.406 165 A N -0.349 122.476 122.820 0.008 0.000 1.908 165 A HA -0.199 4.121 4.320 0.001 0.000 0.218 165 A C 2.236 179.828 177.584 0.014 0.000 1.181 165 A CA 1.848 53.893 52.037 0.015 0.000 0.627 165 A CB -0.559 18.455 19.000 0.023 0.000 0.818 165 A HN 0.476 nan 8.150 nan 0.000 0.445 166 M N -1.161 118.448 119.600 0.016 0.000 2.123 166 M HA -0.085 4.395 4.480 0.001 0.000 0.263 166 M C 2.095 178.395 176.300 0.001 0.000 1.069 166 M CA 1.208 56.517 55.300 0.016 0.000 1.133 166 M CB -0.217 32.398 32.600 0.025 0.000 1.356 166 M HN 0.224 nan 8.290 nan 0.000 0.415 167 V N 0.287 120.199 119.914 -0.003 0.000 2.392 167 V HA -0.273 3.847 4.120 0.001 0.000 0.249 167 V C 2.504 178.574 176.094 -0.040 0.000 1.059 167 V CA 1.941 64.227 62.300 -0.023 0.000 1.051 167 V CB -1.194 30.614 31.823 -0.025 0.000 0.658 167 V HN 0.553 nan 8.190 nan 0.000 0.455 168 A N 0.475 123.276 122.820 -0.032 0.000 2.024 168 A HA -0.219 4.101 4.320 0.001 0.000 0.220 168 A C 2.337 179.908 177.584 -0.021 0.000 1.164 168 A CA 2.276 54.297 52.037 -0.027 0.000 0.643 168 A CB -0.747 18.247 19.000 -0.010 0.000 0.806 168 A HN 0.665 nan 8.150 nan 0.000 0.451 169 T N -2.723 111.820 114.554 -0.018 0.000 3.107 169 T HA 0.267 4.617 4.350 0.001 0.000 0.249 169 T C 0.647 175.321 174.700 -0.043 0.000 1.096 169 T CA -0.285 61.803 62.100 -0.019 0.000 1.012 169 T CB -0.446 68.419 68.868 -0.004 0.000 0.977 169 T HN 0.258 nan 8.240 nan 0.000 0.527 170 L N 3.827 125.018 121.223 -0.053 0.000 2.601 170 L HA 0.183 4.524 4.340 0.001 0.000 0.277 170 L C -2.048 174.765 176.870 -0.095 0.000 1.219 170 L CA -1.117 53.674 54.840 -0.082 0.000 0.915 170 L CB 0.638 42.660 42.059 -0.062 0.000 1.160 170 L HN 0.161 nan 8.230 nan 0.000 0.494 171 P HA 0.138 nan 4.420 nan 0.000 0.282 171 P C -0.914 176.337 177.300 -0.082 0.000 1.249 171 P CA -0.652 62.362 63.100 -0.143 0.000 0.806 171 P CB 0.711 32.245 31.700 -0.277 0.000 0.984 172 R N 1.898 122.402 120.500 0.008 0.000 2.484 172 R HA -0.004 4.336 4.340 0.001 0.000 0.293 172 R C 0.116 176.503 176.300 0.144 0.000 1.023 172 R CA -0.011 56.122 56.100 0.055 0.000 1.037 172 R CB 0.071 30.403 30.300 0.053 0.000 0.951 172 R HN 0.399 nan 8.270 nan 0.000 0.418 173 E N 6.741 127.029 120.200 0.148 0.000 2.257 173 E HA 0.171 4.521 4.350 0.001 0.000 0.278 173 E C -2.137 174.559 176.600 0.160 0.000 1.049 173 E CA -1.956 54.579 56.400 0.225 0.000 0.876 173 E CB 0.859 30.667 29.700 0.180 0.000 1.035 173 E HN 0.355 nan 8.360 nan 0.000 0.419 174 P HA 0.004 nan 4.420 nan 0.000 0.274 174 P C -0.863 176.507 177.300 0.117 0.000 1.256 174 P CA -0.386 62.791 63.100 0.129 0.000 0.795 174 P CB 0.325 32.107 31.700 0.138 0.000 1.038 175 Q N -0.257 119.598 119.800 0.091 0.000 2.333 175 Q HA 0.246 4.586 4.340 0.001 0.000 0.299 175 Q C 0.687 176.730 176.000 0.072 0.000 1.067 175 Q CA 0.364 56.212 55.803 0.074 0.000 0.943 175 Q CB -0.698 28.076 28.738 0.060 0.000 1.233 175 Q HN 0.861 nan 8.270 nan 0.000 0.401 176 G N 1.530 110.366 108.800 0.059 0.000 2.179 176 G HA2 -0.203 3.758 3.960 0.001 0.000 0.220 176 G HA3 -0.203 3.758 3.960 0.001 0.000 0.220 176 G C 0.344 175.262 174.900 0.029 0.000 0.990 176 G CA -0.416 44.707 45.100 0.038 0.000 0.646 176 G HN 1.083 nan 8.290 nan 0.000 0.517 177 G N 0.009 108.854 108.800 0.075 0.000 2.441 177 G HA2 0.463 4.423 3.960 0.001 0.000 0.243 177 G HA3 0.463 4.423 3.960 0.001 0.000 0.243 177 G C -0.197 174.806 174.900 0.172 0.000 1.281 177 G CA -0.089 45.102 45.100 0.151 0.000 0.854 177 G HN 0.388 nan 8.290 nan 0.000 0.560 178 N N 0.580 119.413 118.700 0.222 0.000 2.258 178 N HA 0.367 5.107 4.740 0.001 0.000 0.299 178 N C -1.290 174.425 175.510 0.341 0.000 1.047 178 N CA -0.466 52.752 53.050 0.280 0.000 0.814 178 N CB 2.941 41.581 38.487 0.253 0.000 1.413 178 N HN 0.442 nan 8.380 nan 0.000 0.478 179 I N 1.502 122.259 120.570 0.311 0.000 2.433 179 I HA 0.380 4.551 4.170 0.001 0.000 0.292 179 I C -1.174 175.123 176.117 0.300 0.000 1.001 179 I CA -0.805 60.664 61.300 0.281 0.000 1.119 179 I CB 1.464 39.530 38.000 0.110 0.000 1.289 179 I HN 0.113 nan 8.210 nan 0.000 0.438 180 V N 7.926 127.998 119.914 0.264 0.000 2.350 180 V HA 0.341 4.461 4.120 0.001 0.000 0.285 180 V C -0.193 175.999 176.094 0.163 0.000 1.014 180 V CA -0.647 61.790 62.300 0.229 0.000 0.831 180 V CB 1.455 33.378 31.823 0.166 0.000 1.000 180 V HN 0.443 nan 8.190 nan 0.000 0.433 181 V N 4.639 124.634 119.914 0.134 0.000 2.432 181 V HA 0.352 4.473 4.120 0.001 0.000 0.275 181 V C 0.811 176.909 176.094 0.005 0.000 1.043 181 V CA -0.347 61.992 62.300 0.065 0.000 0.925 181 V CB 1.925 33.797 31.823 0.083 0.000 0.985 181 V HN 1.019 nan 8.190 nan 0.000 0.466 182 T N 1.831 116.341 114.554 -0.073 0.000 2.907 182 T HA 0.557 4.908 4.350 0.001 0.000 0.298 182 T C 0.044 174.645 174.700 -0.165 0.000 1.017 182 T CA -0.325 61.718 62.100 -0.095 0.000 1.118 182 T CB 1.171 69.969 68.868 -0.116 0.000 0.948 182 T HN 0.877 nan 8.240 nan 0.000 0.531 183 T N 0.456 114.950 114.554 -0.101 0.000 2.906 183 T HA 0.745 5.096 4.350 0.001 0.000 0.295 183 T C -1.141 173.527 174.700 -0.053 0.000 1.075 183 T CA -1.015 61.030 62.100 -0.093 0.000 1.005 183 T CB 1.775 70.667 68.868 0.041 0.000 1.136 183 T HN 0.917 nan 8.240 nan 0.000 0.498 184 L N 2.049 123.254 121.223 -0.030 0.000 2.703 184 L HA 0.427 4.768 4.340 0.001 0.000 0.257 184 L C -0.992 175.908 176.870 0.050 0.000 0.923 184 L CA -0.486 54.349 54.840 -0.008 0.000 0.936 184 L CB 1.649 43.660 42.059 -0.080 0.000 1.482 184 L HN 1.109 nan 8.230 nan 0.000 0.432 185 N N 2.987 121.729 118.700 0.070 0.000 2.356 185 N HA 0.037 4.778 4.740 0.001 0.000 0.252 185 N C 0.841 176.411 175.510 0.100 0.000 1.241 185 N CA 0.446 53.547 53.050 0.085 0.000 0.861 185 N CB 0.919 39.444 38.487 0.063 0.000 1.075 185 N HN 0.519 nan 8.380 nan 0.000 0.461 186 V N 1.400 121.378 119.914 0.106 0.000 2.490 186 V HA -0.251 3.869 4.120 0.001 0.000 0.250 186 V C 1.589 177.723 176.094 0.067 0.000 1.061 186 V CA 1.923 64.288 62.300 0.107 0.000 1.064 186 V CB -0.784 31.081 31.823 0.070 0.000 0.670 186 V HN 0.778 nan 8.190 nan 0.000 0.461 187 E N 0.200 120.431 120.200 0.051 0.000 2.051 187 E HA -0.254 4.096 4.350 0.001 0.000 0.192 187 E C 2.150 178.775 176.600 0.042 0.000 0.991 187 E CA 1.721 58.141 56.400 0.032 0.000 0.799 187 E CB -0.274 29.442 29.700 0.027 0.000 0.748 187 E HN 0.716 nan 8.360 nan 0.000 0.449 188 E N -0.197 120.039 120.200 0.059 0.000 2.107 188 E HA -0.176 4.174 4.350 0.001 0.000 0.191 188 E C 1.866 178.529 176.600 0.104 0.000 0.982 188 E CA 1.335 57.772 56.400 0.062 0.000 0.809 188 E CB -0.221 29.508 29.700 0.049 0.000 0.756 188 E HN 0.541 nan 8.360 nan 0.000 0.459 189 H N -0.324 118.739 119.070 -0.012 0.000 2.289 189 H HA -0.137 4.419 4.556 0.001 0.000 0.296 189 H C 1.572 176.882 175.328 -0.030 0.000 1.091 189 H CA 1.641 57.671 56.048 -0.030 0.000 1.274 189 H CB 0.099 29.830 29.762 -0.052 0.000 1.364 189 H HN 0.187 nan 8.280 nan 0.000 0.490 190 I N 0.979 121.530 120.570 -0.033 0.000 2.315 190 I HA -0.203 3.967 4.170 0.001 0.000 0.248 190 I C 2.680 178.788 176.117 -0.015 0.000 1.117 190 I CA 1.015 62.254 61.300 -0.102 0.000 1.404 190 I CB -1.226 36.708 38.000 -0.110 0.000 1.071 190 I HN 0.347 nan 8.210 nan 0.000 0.419 191 R N 1.115 121.625 120.500 0.017 0.000 2.083 191 R HA -0.172 4.168 4.340 0.001 0.000 0.237 191 R C 2.490 178.813 176.300 0.038 0.000 1.137 191 R CA 1.506 57.620 56.100 0.025 0.000 0.951 191 R CB -0.059 30.257 30.300 0.028 0.000 0.851 191 R HN 0.294 nan 8.270 nan 0.000 0.434 192 R N 0.171 120.709 120.500 0.062 0.000 2.083 192 R HA -0.144 4.197 4.340 0.001 0.000 0.237 192 R C 2.447 178.794 176.300 0.077 0.000 1.137 192 R CA 1.638 57.782 56.100 0.073 0.000 0.951 192 R CB -0.469 29.886 30.300 0.092 0.000 0.851 192 R HN 0.260 nan 8.270 nan 0.000 0.434 193 L N 0.306 121.578 121.223 0.082 0.000 2.079 193 L HA -0.208 4.133 4.340 0.001 0.000 0.210 193 L C 2.677 179.573 176.870 0.044 0.000 1.081 193 L CA 1.402 56.283 54.840 0.070 0.000 0.752 193 L CB -0.348 41.731 42.059 0.035 0.000 0.896 193 L HN 0.202 nan 8.230 nan 0.000 0.433 194 R N -0.403 120.112 120.500 0.026 0.000 2.062 194 R HA -0.141 4.199 4.340 0.001 0.000 0.231 194 R C 2.440 178.754 176.300 0.022 0.000 1.136 194 R CA 1.992 58.103 56.100 0.018 0.000 0.948 194 R CB -0.985 29.320 30.300 0.009 0.000 0.845 194 R HN 0.524 nan 8.270 nan 0.000 0.430 195 T N -0.190 114.380 114.554 0.026 0.000 2.653 195 T HA -0.260 4.090 4.350 0.001 0.000 0.268 195 T C 2.030 176.746 174.700 0.027 0.000 1.035 195 T CA 1.419 63.534 62.100 0.025 0.000 1.154 195 T CB -0.312 68.573 68.868 0.027 0.000 0.862 195 T HN 0.199 nan 8.240 nan 0.000 0.441 196 R N 2.090 122.612 120.500 0.036 0.000 2.092 196 R HA 0.225 4.565 4.340 0.001 0.000 0.231 196 R C 1.343 177.661 176.300 0.031 0.000 1.119 196 R CA 0.829 56.953 56.100 0.039 0.000 0.970 196 R CB -0.812 29.522 30.300 0.057 0.000 0.864 196 R HN 0.584 nan 8.270 nan 0.000 0.440 197 A N 0.762 123.598 122.820 0.028 0.000 2.425 197 A HA 0.376 4.696 4.320 0.001 0.000 0.242 197 A C 1.232 178.822 177.584 0.011 0.000 1.077 197 A CA 0.506 52.553 52.037 0.017 0.000 0.781 197 A CB 0.211 19.218 19.000 0.013 0.000 1.020 197 A HN 0.605 nan 8.150 nan 0.000 0.494 198 R N 0.413 120.916 120.500 0.004 0.000 1.411 198 R HA 0.257 4.597 4.340 0.001 0.000 0.089 198 R C 1.201 177.503 176.300 0.004 0.000 0.475 198 R CA 2.857 58.959 56.100 0.003 0.000 1.937 198 R CB -1.404 28.895 30.300 -0.001 0.000 0.472 198 R HN 2.405 nan 8.270 nan 0.000 0.755 199 I N -2.738 117.833 120.570 0.002 0.000 2.857 199 I HA 0.611 4.781 4.170 0.001 0.000 0.314 199 I C 0.909 177.027 176.117 0.001 0.000 1.527 199 I CA 0.717 62.019 61.300 0.003 0.000 0.786 199 I CB 0.458 38.460 38.000 0.003 0.000 2.127 199 I HN 1.595 nan 8.210 nan 0.000 0.596 200 G N 0.368 109.169 108.800 0.000 0.000 3.732 200 G HA2 0.084 4.044 3.960 0.001 0.000 0.220 200 G HA3 0.084 4.044 3.960 0.001 0.000 0.220 200 G C 0.076 174.974 174.900 -0.003 0.000 0.903 200 G CA 0.247 45.347 45.100 -0.000 0.000 0.896 200 G HN 1.002 nan 8.290 nan 0.000 0.685 201 E N 1.432 121.629 120.200 -0.005 0.000 2.324 201 E HA 0.376 4.726 4.350 0.001 0.000 0.271 201 E C 0.388 176.982 176.600 -0.009 0.000 1.028 201 E CA -0.184 56.209 56.400 -0.010 0.000 0.890 201 E CB 0.394 30.085 29.700 -0.015 0.000 1.004 201 E HN 0.418 nan 8.360 nan 0.000 0.431 202 Q N 3.012 122.806 119.800 -0.011 0.000 2.417 202 Q HA 0.315 4.656 4.340 0.001 0.000 0.241 202 Q C -0.275 175.721 176.000 -0.007 0.000 1.008 202 Q CA 0.005 55.805 55.803 -0.005 0.000 0.901 202 Q CB 1.140 29.878 28.738 0.001 0.000 1.259 202 Q HN 0.572 nan 8.270 nan 0.000 0.489 203 I N 0.900 121.471 120.570 0.001 0.000 2.433 203 I HA 0.087 4.258 4.170 0.001 0.000 0.292 203 I C -0.385 175.748 176.117 0.027 0.000 1.001 203 I CA -0.634 60.674 61.300 0.012 0.000 1.119 203 I CB 1.754 39.751 38.000 -0.006 0.000 1.289 203 I HN 0.498 nan 8.210 nan 0.000 0.438 204 D N 6.947 127.390 120.400 0.072 0.000 2.545 204 D HA 0.090 4.731 4.640 0.001 0.000 0.227 204 D C 1.282 177.615 176.300 0.054 0.000 1.150 204 D CA 0.048 54.107 54.000 0.098 0.000 1.046 204 D CB 0.459 41.383 40.800 0.207 0.000 1.098 204 D HN 0.302 nan 8.370 nan 0.000 0.502 205 I N 1.285 121.860 120.570 0.008 0.000 2.264 205 I HA -0.238 3.933 4.170 0.001 0.000 0.248 205 I C 2.156 178.261 176.117 -0.020 0.000 1.111 205 I CA 0.974 62.255 61.300 -0.031 0.000 1.382 205 I CB -1.153 36.830 38.000 -0.029 0.000 1.060 205 I HN 0.258 nan 8.210 nan 0.000 0.418 206 T N 1.597 116.155 114.554 0.006 0.000 2.746 206 T HA -0.158 4.193 4.350 0.001 0.000 0.267 206 T C 1.963 176.666 174.700 0.006 0.000 1.039 206 T CA 1.215 63.319 62.100 0.007 0.000 1.142 206 T CB -0.366 68.511 68.868 0.015 0.000 0.866 206 T HN 0.213 nan 8.240 nan 0.000 0.444 207 L N 0.879 122.122 121.223 0.034 0.000 2.017 207 L HA 0.065 4.405 4.340 0.001 0.000 0.208 207 L C 2.123 178.990 176.870 -0.005 0.000 1.073 207 L CA 1.554 56.421 54.840 0.045 0.000 0.745 207 L CB -0.561 41.588 42.059 0.150 0.000 0.894 207 L HN 0.257 nan 8.230 nan 0.000 0.432 208 I N -0.332 120.215 120.570 -0.038 0.000 2.226 208 I HA -0.295 3.875 4.170 0.001 0.000 0.245 208 I C 2.631 178.691 176.117 -0.094 0.000 1.100 208 I CA 1.165 62.377 61.300 -0.148 0.000 1.374 208 I CB -0.650 37.177 38.000 -0.288 0.000 1.057 208 I HN 0.383 nan 8.210 nan 0.000 0.413 209 A N 0.402 123.187 122.820 -0.058 0.000 1.917 209 A HA -0.258 4.063 4.320 0.001 0.000 0.219 209 A C 2.376 179.956 177.584 -0.007 0.000 1.182 209 A CA 2.735 54.763 52.037 -0.016 0.000 0.633 209 A CB -1.191 17.807 19.000 -0.004 0.000 0.819 209 A HN 0.421 nan 8.150 nan 0.000 0.448 210 T N 0.154 114.688 114.554 -0.034 0.000 2.777 210 T HA -0.023 4.328 4.350 0.001 0.000 0.266 210 T C 1.815 176.458 174.700 -0.095 0.000 1.040 210 T CA 1.358 63.422 62.100 -0.059 0.000 1.141 210 T CB -0.337 68.489 68.868 -0.069 0.000 0.868 210 T HN 0.350 nan 8.240 nan 0.000 0.444 211 L N 0.442 121.596 121.223 -0.114 0.000 2.083 211 L HA -0.067 4.273 4.340 0.001 0.000 0.209 211 L C 2.861 179.713 176.870 -0.031 0.000 1.083 211 L CA 1.295 56.049 54.840 -0.143 0.000 0.752 211 L CB -0.421 41.495 42.059 -0.238 0.000 0.899 211 L HN 0.162 nan 8.230 nan 0.000 0.433 212 R N -0.275 120.207 120.500 -0.032 0.000 2.091 212 R HA -0.150 4.190 4.340 0.001 0.000 0.238 212 R C 2.118 178.439 176.300 0.035 0.000 1.136 212 R CA 1.514 57.597 56.100 -0.027 0.000 0.959 212 R CB -0.470 29.853 30.300 0.038 0.000 0.856 212 R HN 0.400 nan 8.270 nan 0.000 0.437 213 N N 0.326 119.074 118.700 0.081 0.000 2.084 213 N HA -0.117 4.624 4.740 0.001 0.000 0.190 213 N C 1.913 177.344 175.510 -0.131 0.000 1.030 213 N CA 1.119 54.222 53.050 0.089 0.000 0.849 213 N CB -0.369 38.110 38.487 -0.013 0.000 1.012 213 N HN 0.003 nan 8.380 nan 0.000 0.423 214 V N 0.635 120.429 119.914 -0.201 0.000 2.332 214 V HA -0.245 3.876 4.120 0.001 0.000 0.248 214 V C 1.797 177.716 176.094 -0.291 0.000 1.055 214 V CA 1.459 63.585 62.300 -0.291 0.000 1.038 214 V CB -0.709 30.926 31.823 -0.313 0.000 0.651 214 V HN 0.266 nan 8.190 nan 0.000 0.450 215 Y N -1.262 118.909 120.300 -0.215 0.000 2.293 215 Y HA -0.105 4.445 4.550 0.001 0.000 0.291 215 Y C 2.162 177.957 175.900 -0.175 0.000 1.137 215 Y CA 1.528 59.496 58.100 -0.220 0.000 1.202 215 Y CB -0.436 37.854 38.460 -0.283 0.000 0.990 215 Y HN 0.175 nan 8.280 nan 0.000 0.537 216 F N -0.936 119.053 119.950 0.065 0.000 2.102 216 F HA -0.312 4.215 4.527 0.000 0.000 0.298 216 F C 2.387 178.188 175.800 0.001 0.000 1.105 216 F CA 1.046 59.083 58.000 0.063 0.000 1.239 216 F CB -0.424 38.649 39.000 0.122 0.000 0.991 216 F HN -0.008 nan 8.300 nan 0.000 0.474 217 M N -0.447 119.188 119.600 0.059 0.000 2.082 217 M HA -0.269 4.211 4.480 0.001 0.000 0.258 217 M C 2.238 178.488 176.300 -0.082 0.000 1.069 217 M CA 1.490 56.748 55.300 -0.070 0.000 1.102 217 M CB -0.653 31.792 32.600 -0.258 0.000 1.336 217 M HN 0.242 nan 8.290 nan 0.000 0.404 218 L N 0.342 121.480 121.223 -0.141 0.000 1.989 218 L HA -0.155 4.185 4.340 0.001 0.000 0.211 218 L C 2.269 179.088 176.870 -0.085 0.000 1.071 218 L CA 1.755 56.498 54.840 -0.163 0.000 0.749 218 L CB -0.782 41.133 42.059 -0.241 0.000 0.890 218 L HN 0.047 nan 8.230 nan 0.000 0.431 219 V N 0.609 120.514 119.914 -0.015 0.000 2.282 219 V HA -0.340 3.780 4.120 0.001 0.000 0.249 219 V C 2.444 178.489 176.094 -0.082 0.000 1.057 219 V CA 2.077 64.342 62.300 -0.058 0.000 1.032 219 V CB -1.018 30.856 31.823 0.085 0.000 0.645 219 V HN 0.551 nan 8.190 nan 0.000 0.447 220 N N -0.005 118.755 118.700 0.101 0.000 2.120 220 N HA -0.140 4.601 4.740 0.001 0.000 0.188 220 N C 1.897 177.516 175.510 0.180 0.000 1.024 220 N CA 1.921 55.089 53.050 0.197 0.000 0.852 220 N CB -0.777 37.834 38.487 0.208 0.000 1.003 220 N HN 0.482 nan 8.380 nan 0.000 0.424 221 T N 0.766 115.357 114.554 0.063 0.000 2.684 221 T HA -0.125 4.226 4.350 0.001 0.000 0.267 221 T C 2.222 177.037 174.700 0.192 0.000 1.036 221 T CA 1.168 63.312 62.100 0.074 0.000 1.148 221 T CB -0.517 68.256 68.868 -0.158 0.000 0.863 221 T HN 0.337 nan 8.240 nan 0.000 0.436 222 C N 0.764 120.088 119.300 0.040 0.000 2.446 222 C HA -0.044 4.416 4.460 0.001 0.000 0.277 222 C C 2.675 177.714 174.990 0.082 0.000 1.275 222 C CA 0.148 59.173 59.018 0.012 0.000 1.727 222 C CB -1.271 26.394 27.740 -0.125 0.000 2.010 222 C HN 0.585 nan 8.230 nan 0.000 0.486 223 H N -0.388 118.751 119.070 0.115 0.000 2.319 223 H HA -0.141 4.416 4.556 0.001 0.000 0.299 223 H C 2.076 177.503 175.328 0.164 0.000 1.092 223 H CA 1.868 57.978 56.048 0.104 0.000 1.302 223 H CB -0.954 28.875 29.762 0.111 0.000 1.373 223 H HN 0.579 nan 8.280 nan 0.000 0.497 224 F N 1.286 121.366 119.950 0.218 0.000 2.095 224 F HA -0.193 4.334 4.527 0.001 0.000 0.298 224 F C 2.310 178.208 175.800 0.162 0.000 1.104 224 F CA 1.162 59.276 58.000 0.190 0.000 1.232 224 F CB -0.473 38.670 39.000 0.237 0.000 0.987 224 F HN -0.010 nan 8.300 nan 0.000 0.475 225 L N -0.222 121.181 121.223 0.300 0.000 2.093 225 L HA -0.166 4.175 4.340 0.001 0.000 0.208 225 L C 2.516 179.410 176.870 0.041 0.000 1.085 225 L CA 1.130 56.060 54.840 0.149 0.000 0.755 225 L CB -0.663 41.541 42.059 0.243 0.000 0.904 225 L HN 0.077 nan 8.230 nan 0.000 0.435 226 R N 0.911 121.452 120.500 0.067 0.000 2.148 226 R HA -0.114 4.227 4.340 0.001 0.000 0.227 226 R C 2.328 178.628 176.300 0.000 0.000 1.103 226 R CA 1.530 57.652 56.100 0.036 0.000 0.983 226 R CB -0.625 29.710 30.300 0.057 0.000 0.874 226 R HN 0.418 nan 8.270 nan 0.000 0.451 227 S N -1.253 114.434 115.700 -0.022 0.000 2.603 227 S HA 0.127 4.597 4.470 0.001 0.000 0.229 227 S C 1.335 175.869 174.600 -0.111 0.000 0.972 227 S CA 0.497 58.658 58.200 -0.065 0.000 0.935 227 S CB -0.232 62.925 63.200 -0.072 0.000 0.769 227 S HN 0.563 nan 8.310 nan 0.000 0.536 228 G N 0.913 109.644 108.800 -0.115 0.000 2.179 228 G HA2 -0.280 3.681 3.960 0.001 0.000 0.260 228 G HA3 -0.280 3.681 3.960 0.001 0.000 0.260 228 G C 0.211 174.991 174.900 -0.200 0.000 0.977 228 G CA 0.092 45.119 45.100 -0.122 0.000 0.641 228 G HN 0.606 nan 8.290 nan 0.000 0.533 229 R N -0.201 120.081 120.500 -0.363 0.000 2.615 229 R HA 0.572 4.912 4.340 0.001 0.000 0.270 229 R C 0.697 176.737 176.300 -0.433 0.000 1.081 229 R CA 0.296 56.068 56.100 -0.547 0.000 1.154 229 R CB 1.248 30.898 30.300 -1.084 0.000 1.063 229 R HN 0.619 nan 8.270 nan 0.000 0.519 230 V N -0.728 119.034 119.914 -0.253 0.000 3.046 230 V HA 0.334 4.454 4.120 0.001 0.000 0.316 230 V C 1.221 177.320 176.094 0.008 0.000 1.104 230 V CA -1.038 61.191 62.300 -0.118 0.000 1.006 230 V CB 1.498 33.158 31.823 -0.273 0.000 1.058 230 V HN 1.098 nan 8.190 nan 0.000 0.440 231 W N 0.746 121.875 121.300 -0.284 0.000 2.364 231 W HA -0.059 4.601 4.660 0.001 0.000 0.281 231 W C 1.507 177.963 176.519 -0.105 0.000 1.219 231 W CA 1.061 58.102 57.345 -0.506 0.000 1.220 231 W CB -0.651 27.995 29.460 -1.356 0.000 1.127 231 W HN 0.654 nan 8.180 nan 0.000 0.556 232 R N 0.827 120.812 120.500 -0.858 0.000 2.237 232 R HA -0.062 4.278 4.340 0.001 0.000 0.219 232 R C -0.137 176.109 176.300 -0.090 0.000 1.080 232 R CA 0.803 56.512 56.100 -0.651 0.000 0.995 232 R CB -0.394 29.372 30.300 -0.890 0.000 0.875 232 R HN -0.039 nan 8.270 nan 0.000 0.462 233 D N 0.476 120.893 120.400 0.028 0.000 2.348 233 D HA 0.112 4.752 4.640 0.001 0.000 0.259 233 D C 1.004 177.455 176.300 0.252 0.000 1.296 233 D CA 0.725 54.801 54.000 0.126 0.000 0.931 233 D CB 0.940 41.798 40.800 0.097 0.000 1.067 233 D HN 0.382 nan 8.370 nan 0.000 0.503 234 G N 2.746 111.663 108.800 0.193 0.000 2.175 234 G HA2 -0.288 3.673 3.960 0.001 0.000 0.244 234 G HA3 -0.288 3.673 3.960 0.001 0.000 0.244 234 G C 1.040 176.072 174.900 0.221 0.000 0.982 234 G CA 0.151 45.366 45.100 0.191 0.000 0.641 234 G HN 0.565 nan 8.290 nan 0.000 0.527 235 W N 1.243 122.595 121.300 0.086 0.000 2.335 235 W HA -0.128 4.532 4.660 0.001 0.000 0.311 235 W C 2.049 178.622 176.519 0.090 0.000 1.213 235 W CA 2.547 59.963 57.345 0.118 0.000 1.274 235 W CB -0.814 28.732 29.460 0.144 0.000 1.148 235 W HN 0.294 nan 8.180 nan 0.000 0.498 236 G N 0.312 109.252 108.800 0.234 0.000 2.459 236 G HA2 -0.395 3.566 3.960 0.001 0.000 0.217 236 G HA3 -0.395 3.566 3.960 0.001 0.000 0.217 236 G C 1.486 176.395 174.900 0.014 0.000 1.183 236 G CA 2.295 47.463 45.100 0.113 0.000 0.776 236 G HN 0.432 nan 8.290 nan 0.000 0.552 237 E N -0.171 120.047 120.200 0.031 0.000 2.268 237 E HA 0.211 4.562 4.350 0.001 0.000 0.195 237 E C 1.346 177.932 176.600 -0.024 0.000 0.995 237 E CA 0.477 56.883 56.400 0.011 0.000 0.836 237 E CB -0.331 29.390 29.700 0.034 0.000 0.763 237 E HN 0.385 nan 8.360 nan 0.000 0.491 238 L N 1.312 122.496 121.223 -0.064 0.000 2.499 238 L HA 0.271 4.612 4.340 0.001 0.000 0.273 238 L C -2.421 174.362 176.870 -0.146 0.000 1.195 238 L CA -1.911 52.863 54.840 -0.109 0.000 0.882 238 L CB 1.010 42.954 42.059 -0.192 0.000 1.133 238 L HN -0.057 nan 8.230 nan 0.000 0.483 239 P HA 0.111 nan 4.420 nan 0.000 0.268 239 P C -0.928 176.292 177.300 -0.134 0.000 1.205 239 P CA -0.331 62.722 63.100 -0.078 0.000 0.771 239 P CB 0.223 31.911 31.700 -0.020 0.000 0.858 240 T N -0.526 113.954 114.554 -0.124 0.000 2.928 240 T HA 0.110 4.460 4.350 0.001 0.000 0.305 240 T C 0.180 174.803 174.700 -0.129 0.000 1.035 240 T CA -0.433 61.577 62.100 -0.151 0.000 1.145 240 T CB -0.356 68.454 68.868 -0.096 0.000 0.963 240 T HN 0.181 nan 8.240 nan 0.000 0.545 241 S N 3.377 118.946 115.700 -0.218 0.000 3.036 241 S HA 0.325 4.795 4.470 0.001 0.000 0.301 241 S C 0.483 175.020 174.600 -0.106 0.000 1.205 241 S CA -0.988 57.048 58.200 -0.272 0.000 0.999 241 S CB -0.976 61.733 63.200 -0.818 0.000 1.337 241 S HN 0.802 nan 8.310 nan 0.000 0.515 242 C N 1.265 120.569 119.300 0.006 0.000 2.511 242 C HA 0.587 5.047 4.460 0.001 0.000 0.221 242 C C 2.615 177.618 174.990 0.023 0.000 2.963 242 C CA -0.098 58.925 59.018 0.008 0.000 1.934 242 C CB -0.618 27.125 27.740 0.005 0.000 2.827 242 C HN 0.739 nan 8.230 nan 0.000 0.360 243 G N 0.293 109.094 108.800 0.001 0.000 2.476 243 G HA2 -0.104 3.856 3.960 0.001 0.000 0.218 243 G HA3 -0.104 3.856 3.960 0.001 0.000 0.218 243 G C 1.694 176.600 174.900 0.011 0.000 1.164 243 G CA 1.428 46.502 45.100 -0.043 0.000 0.768 243 G HN 0.902 nan 8.290 nan 0.000 0.560 244 A N -0.202 122.697 122.820 0.132 0.000 1.933 244 A HA -0.025 4.295 4.320 0.001 0.000 0.218 244 A C 2.202 179.873 177.584 0.145 0.000 1.175 244 A CA 1.712 53.862 52.037 0.189 0.000 0.628 244 A CB -0.650 18.424 19.000 0.122 0.000 0.814 244 A HN 0.530 nan 8.150 nan 0.000 0.444 245 Y N 0.751 121.060 120.300 0.016 0.000 2.145 245 Y HA -0.186 4.364 4.550 0.001 0.000 0.286 245 Y C 2.246 178.149 175.900 0.006 0.000 1.145 245 Y CA 2.256 60.370 58.100 0.024 0.000 1.148 245 Y CB -0.121 38.342 38.460 0.005 0.000 0.981 245 Y HN 0.226 nan 8.280 nan 0.000 0.507 246 K N -0.888 119.568 120.400 0.094 0.000 2.147 246 K HA -0.198 4.122 4.320 0.001 0.000 0.205 246 K C 1.750 178.254 176.600 -0.161 0.000 1.049 246 K CA 1.805 58.045 56.287 -0.078 0.000 0.936 246 K CB -0.419 31.962 32.500 -0.199 0.000 0.722 246 K HN 0.557 nan 8.250 nan 0.000 0.446 247 H N 0.171 119.215 119.070 -0.043 0.000 2.293 247 H HA -0.085 4.471 4.556 0.001 0.000 0.300 247 H C 2.345 177.637 175.328 -0.060 0.000 1.082 247 H CA 1.685 57.704 56.048 -0.048 0.000 1.308 247 H CB 0.057 29.798 29.762 -0.035 0.000 1.375 247 H HN 0.074 nan 8.280 nan 0.000 0.495 248 R N 0.674 121.197 120.500 0.038 0.000 2.105 248 R HA -0.130 4.211 4.340 0.001 0.000 0.239 248 R C 2.323 178.648 176.300 0.042 0.000 1.135 248 R CA 1.126 57.213 56.100 -0.021 0.000 0.967 248 R CB -0.223 30.009 30.300 -0.113 0.000 0.861 248 R HN 0.348 nan 8.270 nan 0.000 0.442 249 A N -0.168 122.613 122.820 -0.065 0.000 2.015 249 A HA -0.118 4.202 4.320 0.001 0.000 0.219 249 A C 1.985 179.551 177.584 -0.030 0.000 1.163 249 A CA 1.773 53.766 52.037 -0.073 0.000 0.646 249 A CB -0.518 18.319 19.000 -0.272 0.000 0.806 249 A HN 0.605 nan 8.150 nan 0.000 0.448 250 T N -2.678 111.865 114.554 -0.018 0.000 3.107 250 T HA 0.142 4.493 4.350 0.001 0.000 0.249 250 T C 0.724 175.440 174.700 0.026 0.000 1.096 250 T CA 0.259 62.355 62.100 -0.007 0.000 1.012 250 T CB -0.263 68.595 68.868 -0.017 0.000 0.977 250 T HN 0.506 nan 8.240 nan 0.000 0.527 251 Q N 1.700 121.529 119.800 0.047 0.000 2.293 251 Q HA 0.331 4.672 4.340 0.001 0.000 0.263 251 Q C -0.098 175.935 176.000 0.053 0.000 1.002 251 Q CA -0.516 55.312 55.803 0.041 0.000 0.910 251 Q CB 0.595 29.347 28.738 0.024 0.000 1.185 251 Q HN 0.461 nan 8.270 nan 0.000 0.401 252 M N 4.889 124.511 119.600 0.037 0.000 2.290 252 M HA -0.134 4.347 4.480 0.001 0.000 0.356 252 M C -0.437 175.896 176.300 0.055 0.000 1.448 252 M CA 1.171 56.498 55.300 0.045 0.000 0.993 252 M CB 0.252 32.866 32.600 0.024 0.000 1.934 252 M HN 0.907 nan 8.290 nan 0.000 0.461 253 D N 1.741 122.198 120.400 0.095 0.000 3.059 253 D HA -0.232 4.409 4.640 0.001 0.000 0.220 253 D C 0.785 177.114 176.300 0.048 0.000 1.169 253 D CA 1.084 55.138 54.000 0.090 0.000 0.902 253 D CB -1.393 39.434 40.800 0.046 0.000 1.116 253 D HN 0.767 nan 8.370 nan 0.000 0.417 254 A N -0.884 121.982 122.820 0.078 0.000 1.968 254 A HA 0.135 4.456 4.320 0.001 0.000 0.217 254 A C 0.849 178.325 177.584 -0.181 0.000 1.169 254 A CA 0.849 52.861 52.037 -0.042 0.000 0.638 254 A CB 0.042 19.032 19.000 -0.016 0.000 0.812 254 A HN 0.172 nan 8.150 nan 0.000 0.446 255 F N -0.805 119.125 119.950 -0.033 0.000 2.483 255 F HA 0.546 5.073 4.527 0.000 0.000 0.329 255 F C 0.531 176.141 175.800 -0.318 0.000 1.064 255 F CA -0.610 57.345 58.000 -0.074 0.000 0.986 255 F CB 1.418 40.444 39.000 0.044 0.000 1.218 255 F HN 0.395 nan 8.300 nan 0.000 0.484 256 Q N -0.538 119.050 119.800 -0.353 0.000 2.648 256 Q HA 0.355 4.696 4.340 0.001 0.000 0.300 256 Q C -1.504 174.113 176.000 -0.638 0.000 0.954 256 Q CA -1.213 53.937 55.803 -1.090 0.000 0.757 256 Q CB 1.952 30.321 28.738 -0.614 0.000 1.482 256 Q HN 0.642 nan 8.270 nan 0.000 0.437 257 E N 1.262 121.126 120.200 -0.560 0.000 2.299 257 E HA 0.078 4.428 4.350 0.001 0.000 0.272 257 E C -0.737 175.883 176.600 0.033 0.000 1.043 257 E CA -0.312 56.121 56.400 0.055 0.000 0.895 257 E CB 0.657 30.512 29.700 0.259 0.000 1.011 257 E HN 0.266 nan 8.360 nan 0.000 0.432 258 R N 3.763 124.331 120.500 0.114 0.000 2.312 258 R HA 0.126 4.467 4.340 0.001 0.000 0.311 258 R C 0.970 177.288 176.300 0.029 0.000 1.004 258 R CA -0.340 55.800 56.100 0.066 0.000 0.902 258 R CB 1.500 31.858 30.300 0.096 0.000 1.073 258 R HN 0.494 nan 8.270 nan 0.000 0.457 259 V N 1.424 121.329 119.914 -0.015 0.000 2.255 259 V HA -0.202 3.919 4.120 0.001 0.000 0.247 259 V C 0.795 176.859 176.094 -0.050 0.000 1.051 259 V CA 1.863 64.127 62.300 -0.059 0.000 1.018 259 V CB -0.160 31.642 31.823 -0.035 0.000 0.641 259 V HN 0.674 nan 8.190 nan 0.000 0.445 260 S N 1.017 116.723 115.700 0.010 0.000 2.252 260 S HA 0.391 4.861 4.470 0.001 0.000 0.187 260 S C -2.493 172.175 174.600 0.112 0.000 1.587 260 S CA -0.878 57.350 58.200 0.047 0.000 1.215 260 S CB 0.985 64.205 63.200 0.033 0.000 1.085 260 S HN 0.386 nan 8.310 nan 0.000 0.466 261 P HA 0.195 nan 4.420 nan 0.000 0.269 261 P C -0.164 177.316 177.300 0.298 0.000 1.209 261 P CA -0.017 63.224 63.100 0.236 0.000 0.776 261 P CB 0.903 32.791 31.700 0.313 0.000 0.876 262 E N 0.382 120.719 120.200 0.228 0.000 2.267 262 E HA 0.150 4.501 4.350 0.001 0.000 0.258 262 E C 1.054 177.749 176.600 0.159 0.000 1.074 262 E CA -0.901 55.645 56.400 0.245 0.000 0.915 262 E CB 0.632 30.425 29.700 0.154 0.000 1.186 262 E HN 0.199 nan 8.360 nan 0.000 0.439 263 L N 1.218 122.524 121.223 0.138 0.000 2.042 263 L HA -0.087 4.253 4.340 0.001 0.000 0.210 263 L C 1.885 178.783 176.870 0.046 0.000 1.076 263 L CA 2.371 57.185 54.840 -0.044 0.000 0.749 263 L CB -0.755 41.389 42.059 0.141 0.000 0.893 263 L HN 0.726 nan 8.230 nan 0.000 0.432 264 G N -1.677 107.192 108.800 0.115 0.000 2.559 264 G HA2 -0.190 3.770 3.960 0.001 0.000 0.216 264 G HA3 -0.190 3.770 3.960 0.001 0.000 0.216 264 G C 1.059 176.125 174.900 0.276 0.000 1.126 264 G CA 0.715 45.925 45.100 0.184 0.000 0.778 264 G HN 0.454 nan 8.290 nan 0.000 0.543 265 D N 0.037 120.565 120.400 0.213 0.000 2.349 265 D HA 0.031 4.671 4.640 0.001 0.000 0.215 265 D C 1.715 178.144 176.300 0.215 0.000 1.016 265 D CA 0.731 54.907 54.000 0.294 0.000 0.870 265 D CB 0.391 41.313 40.800 0.202 0.000 0.917 265 D HN 0.436 nan 8.370 nan 0.000 0.524 266 T N -2.547 112.060 114.554 0.088 0.000 2.923 266 T HA 0.365 4.715 4.350 0.001 0.000 0.281 266 T C 1.586 176.249 174.700 -0.062 0.000 0.995 266 T CA -0.729 61.350 62.100 -0.036 0.000 0.985 266 T CB 1.328 70.097 68.868 -0.165 0.000 1.114 266 T HN -0.175 nan 8.240 nan 0.000 0.548 267 L N -0.378 120.719 121.223 -0.211 0.000 2.191 267 L HA 0.025 4.366 4.340 0.001 0.000 0.212 267 L C 2.287 179.117 176.870 -0.068 0.000 1.103 267 L CA 1.113 55.821 54.840 -0.220 0.000 0.769 267 L CB -0.668 41.196 42.059 -0.325 0.000 0.908 267 L HN 0.597 nan 8.230 nan 0.000 0.438 268 F N 0.185 120.229 119.950 0.157 0.000 2.202 268 F HA -0.211 4.317 4.527 0.001 0.000 0.301 268 F C 2.596 178.604 175.800 0.347 0.000 1.082 268 F CA 1.002 59.195 58.000 0.321 0.000 1.313 268 F CB -1.045 38.132 39.000 0.294 0.000 1.024 268 F HN 0.031 nan 8.300 nan 0.000 0.495 269 A N 0.784 123.772 122.820 0.279 0.000 1.940 269 A HA -0.156 4.164 4.320 0.001 0.000 0.219 269 A C 2.120 179.523 177.584 -0.301 0.000 1.176 269 A CA 1.825 53.882 52.037 0.032 0.000 0.631 269 A CB -1.234 17.825 19.000 0.098 0.000 0.814 269 A HN 0.462 nan 8.150 nan 0.000 0.446 270 L N -4.067 116.927 121.223 -0.381 0.000 2.362 270 L HA 0.086 4.427 4.340 0.001 0.000 0.219 270 L C 1.743 178.278 176.870 -0.559 0.000 1.134 270 L CA 1.516 55.967 54.840 -0.649 0.000 0.807 270 L CB -1.071 40.723 42.059 -0.443 0.000 0.927 270 L HN 0.144 nan 8.230 nan 0.000 0.447 271 F N 0.269 120.160 119.950 -0.097 0.000 2.615 271 F HA 0.157 4.684 4.527 0.001 0.000 0.297 271 F C 1.679 177.528 175.800 0.082 0.000 1.124 271 F CA 0.264 58.256 58.000 -0.014 0.000 1.451 271 F CB -0.352 38.678 39.000 0.050 0.000 1.103 271 F HN 0.010 nan 8.300 nan 0.000 0.569 272 K N 2.053 122.467 120.400 0.023 0.000 2.243 272 K HA 0.115 4.435 4.320 0.001 0.000 0.232 272 K C -0.641 175.869 176.600 -0.150 0.000 1.237 272 K CA 0.088 56.252 56.287 -0.205 0.000 1.161 272 K CB -0.633 31.373 32.500 -0.823 0.000 1.505 272 K HN 0.085 nan 8.250 nan 0.000 0.271 273 T N -0.500 114.031 114.554 -0.039 0.000 2.907 273 T HA 0.166 4.516 4.350 0.001 0.000 0.292 273 T C 1.017 175.716 174.700 -0.002 0.000 1.043 273 T CA -1.011 61.063 62.100 -0.042 0.000 1.003 273 T CB 1.790 70.641 68.868 -0.029 0.000 1.084 273 T HN 0.241 nan 8.240 nan 0.000 0.483 274 Q N 0.928 120.727 119.800 -0.001 0.000 2.135 274 Q HA -0.175 4.165 4.340 0.001 0.000 0.204 274 Q C 1.763 177.774 176.000 0.019 0.000 0.981 274 Q CA 1.516 57.327 55.803 0.014 0.000 0.856 274 Q CB -0.228 28.516 28.738 0.010 0.000 0.902 274 Q HN 0.749 nan 8.270 nan 0.000 0.425 275 E N 0.415 120.620 120.200 0.008 0.000 2.233 275 E HA -0.166 4.184 4.350 0.001 0.000 0.199 275 E C 1.667 178.251 176.600 -0.026 0.000 1.004 275 E CA 0.858 57.256 56.400 -0.004 0.000 0.819 275 E CB 0.001 29.690 29.700 -0.018 0.000 0.738 275 E HN 0.400 nan 8.360 nan 0.000 0.478 276 L N 0.359 121.559 121.223 -0.039 0.000 2.693 276 L HA 0.240 4.581 4.340 0.001 0.000 0.235 276 L C 0.508 177.462 176.870 0.140 0.000 1.127 276 L CA -0.143 54.655 54.840 -0.071 0.000 0.914 276 L CB 0.273 42.206 42.059 -0.211 0.000 1.193 276 L HN -0.059 nan 8.230 nan 0.000 0.502 277 L N -0.585 120.703 121.223 0.108 0.000 2.334 277 L HA 0.404 4.744 4.340 0.001 0.000 0.270 277 L C -0.027 176.893 176.870 0.084 0.000 1.018 277 L CA -1.078 53.833 54.840 0.117 0.000 0.811 277 L CB 1.159 43.282 42.059 0.107 0.000 1.271 277 L HN -0.004 nan 8.230 nan 0.000 0.443 278 D N 0.104 120.546 120.400 0.070 0.000 2.348 278 D HA 0.102 4.743 4.640 0.001 0.000 0.272 278 D C 0.930 177.252 176.300 0.038 0.000 1.237 278 D CA 0.362 54.387 54.000 0.043 0.000 1.042 278 D CB -0.106 40.710 40.800 0.027 0.000 1.117 278 D HN 0.634 nan 8.370 nan 0.000 0.548 279 D N -1.270 119.146 120.400 0.027 0.000 2.117 279 D HA -0.109 4.532 4.640 0.001 0.000 0.198 279 D C 1.876 178.192 176.300 0.026 0.000 0.982 279 D CA 0.907 54.921 54.000 0.023 0.000 0.828 279 D CB -0.457 40.352 40.800 0.016 0.000 0.967 279 D HN 0.138 nan 8.370 nan 0.000 0.464 280 R N -0.380 120.138 120.500 0.030 0.000 2.328 280 R HA 0.246 4.586 4.340 0.001 0.000 0.200 280 R C 1.796 178.123 176.300 0.046 0.000 0.983 280 R CA 0.239 56.359 56.100 0.034 0.000 1.062 280 R CB -0.720 29.600 30.300 0.033 0.000 0.956 280 R HN 0.594 nan 8.270 nan 0.000 0.479 281 G N 0.445 109.276 108.800 0.052 0.000 2.198 281 G HA2 -0.260 3.701 3.960 0.001 0.000 0.260 281 G HA3 -0.260 3.701 3.960 0.001 0.000 0.260 281 G C 0.007 174.973 174.900 0.109 0.000 1.025 281 G CA 0.394 45.533 45.100 0.066 0.000 0.769 281 G HN 0.173 nan 8.290 nan 0.000 0.507 282 V N 1.083 121.063 119.914 0.111 0.000 2.439 282 V HA 0.523 4.643 4.120 0.001 0.000 0.282 282 V C 1.131 177.319 176.094 0.158 0.000 1.039 282 V CA -0.792 61.598 62.300 0.149 0.000 0.913 282 V CB 1.752 33.636 31.823 0.100 0.000 0.983 282 V HN 0.461 nan 8.190 nan 0.000 0.460 283 I N 5.532 126.243 120.570 0.235 0.000 2.683 283 I HA 0.081 4.252 4.170 0.001 0.000 0.286 283 I C 0.272 176.437 176.117 0.081 0.000 1.175 283 I CA 0.128 61.548 61.300 0.200 0.000 1.429 283 I CB 0.290 38.427 38.000 0.228 0.000 1.371 283 I HN 0.499 nan 8.210 nan 0.000 0.569 284 L N 7.742 128.999 121.223 0.057 0.000 2.483 284 L HA 0.068 4.408 4.340 0.001 0.000 0.276 284 L C 1.437 178.158 176.870 -0.248 0.000 1.213 284 L CA -0.416 54.355 54.840 -0.116 0.000 0.843 284 L CB 0.031 41.956 42.059 -0.223 0.000 1.107 284 L HN 0.674 nan 8.230 nan 0.000 0.487 285 E N 1.650 121.630 120.200 -0.367 0.000 2.110 285 E HA -0.165 4.186 4.350 0.001 0.000 0.193 285 E C 1.989 177.976 176.600 -1.022 0.000 0.988 285 E CA 0.920 56.972 56.400 -0.579 0.000 0.804 285 E CB -0.038 29.312 29.700 -0.583 0.000 0.745 285 E HN 0.629 nan 8.360 nan 0.000 0.458 286 V N 1.560 120.888 119.914 -0.976 0.000 2.392 286 V HA -0.241 3.880 4.120 0.001 0.000 0.249 286 V C 2.057 177.885 176.094 -0.443 0.000 1.059 286 V CA 1.845 63.639 62.300 -0.843 0.000 1.051 286 V CB -0.350 31.089 31.823 -0.640 0.000 0.658 286 V HN 0.271 nan 8.190 nan 0.000 0.455 287 H N 0.098 118.991 119.070 -0.295 0.000 2.372 287 H HA 0.165 4.722 4.556 0.001 0.000 0.301 287 H C 2.346 177.469 175.328 -0.341 0.000 1.065 287 H CA 1.299 57.195 56.048 -0.253 0.000 1.364 287 H CB -0.783 28.865 29.762 -0.191 0.000 1.406 287 H HN 0.523 nan 8.280 nan 0.000 0.521 288 A N 1.253 123.951 122.820 -0.203 0.000 1.908 288 A HA -0.195 4.126 4.320 0.001 0.000 0.218 288 A C 1.991 179.594 177.584 0.032 0.000 1.181 288 A CA 1.498 53.420 52.037 -0.192 0.000 0.627 288 A CB -0.963 18.091 19.000 0.090 0.000 0.818 288 A HN 0.358 nan 8.150 nan 0.000 0.445 289 W N -0.420 120.827 121.300 -0.087 0.000 2.363 289 W HA -0.020 4.640 4.660 0.001 0.000 0.296 289 W C 2.793 179.238 176.519 -0.124 0.000 1.212 289 W CA 0.571 57.876 57.345 -0.067 0.000 1.260 289 W CB -1.317 28.107 29.460 -0.059 0.000 1.131 289 W HN 0.447 nan 8.180 nan 0.000 0.530 290 A N 0.166 123.010 122.820 0.040 0.000 1.902 290 A HA -0.152 4.168 4.320 0.001 0.000 0.217 290 A C 2.155 179.593 177.584 -0.242 0.000 1.181 290 A CA 1.618 53.597 52.037 -0.095 0.000 0.623 290 A CB -0.989 17.927 19.000 -0.140 0.000 0.818 290 A HN 0.250 nan 8.150 nan 0.000 0.443 291 L N -0.646 120.308 121.223 -0.448 0.000 2.141 291 L HA -0.147 4.193 4.340 0.001 0.000 0.209 291 L C 1.950 178.650 176.870 -0.284 0.000 1.094 291 L CA 1.140 55.588 54.840 -0.654 0.000 0.763 291 L CB -0.682 40.414 42.059 -1.605 0.000 0.908 291 L HN 0.289 nan 8.230 nan 0.000 0.437 292 D N 0.574 120.963 120.400 -0.018 0.000 2.117 292 D HA -0.155 4.485 4.640 0.001 0.000 0.197 292 D C 2.257 178.618 176.300 0.102 0.000 0.987 292 D CA 1.549 55.671 54.000 0.203 0.000 0.829 292 D CB -0.006 40.921 40.800 0.212 0.000 0.961 292 D HN 0.292 nan 8.370 nan 0.000 0.460 293 A N 0.887 123.729 122.820 0.038 0.000 1.877 293 A HA -0.147 4.174 4.320 0.001 0.000 0.216 293 A C 2.159 179.757 177.584 0.022 0.000 1.186 293 A CA 1.092 53.139 52.037 0.016 0.000 0.620 293 A CB -0.766 18.230 19.000 -0.006 0.000 0.822 293 A HN 0.245 nan 8.150 nan 0.000 0.443 294 L N -0.497 120.728 121.223 0.003 0.000 2.012 294 L HA -0.173 4.167 4.340 0.001 0.000 0.210 294 L C 2.494 179.436 176.870 0.120 0.000 1.073 294 L CA 2.752 57.602 54.840 0.017 0.000 0.748 294 L CB -0.573 41.457 42.059 -0.048 0.000 0.891 294 L HN 0.559 nan 8.230 nan 0.000 0.431 295 M N -1.433 118.323 119.600 0.260 0.000 2.080 295 M HA -0.238 4.243 4.480 0.001 0.000 0.260 295 M C 2.074 178.486 176.300 0.187 0.000 1.068 295 M CA 1.984 57.498 55.300 0.356 0.000 1.109 295 M CB -0.175 32.663 32.600 0.398 0.000 1.342 295 M HN 0.348 nan 8.290 nan 0.000 0.405 296 L N -0.193 121.103 121.223 0.121 0.000 2.156 296 L HA -0.166 4.174 4.340 0.001 0.000 0.208 296 L C 2.269 179.172 176.870 0.056 0.000 1.095 296 L CA 1.211 56.095 54.840 0.074 0.000 0.770 296 L CB -0.567 41.519 42.059 0.046 0.000 0.914 296 L HN 0.316 nan 8.230 nan 0.000 0.439 297 K N 0.115 120.542 120.400 0.046 0.000 2.211 297 K HA -0.073 4.247 4.320 0.001 0.000 0.203 297 K C 1.859 178.470 176.600 0.017 0.000 1.050 297 K CA 0.906 57.210 56.287 0.028 0.000 0.945 297 K CB 0.042 32.546 32.500 0.007 0.000 0.732 297 K HN 0.287 nan 8.250 nan 0.000 0.451 298 L N -0.208 121.026 121.223 0.019 0.000 2.509 298 L HA 0.063 4.403 4.340 0.001 0.000 0.222 298 L C 2.097 178.971 176.870 0.007 0.000 1.123 298 L CA 0.001 54.831 54.840 -0.017 0.000 0.856 298 L CB -0.034 42.017 42.059 -0.013 0.000 0.985 298 L HN -0.013 nan 8.230 nan 0.000 0.456 299 R N 0.963 121.488 120.500 0.040 0.000 2.083 299 R HA -0.108 4.232 4.340 0.001 0.000 0.237 299 R C 1.472 177.791 176.300 0.032 0.000 1.137 299 R CA 1.281 57.408 56.100 0.045 0.000 0.951 299 R CB -0.260 30.069 30.300 0.049 0.000 0.851 299 R HN 0.269 nan 8.270 nan 0.000 0.434 300 N N 0.251 118.972 118.700 0.035 0.000 2.413 300 N HA 0.029 4.770 4.740 0.001 0.000 0.207 300 N C -0.762 174.773 175.510 0.042 0.000 1.206 300 N CA 0.320 53.397 53.050 0.045 0.000 0.832 300 N CB 0.261 38.787 38.487 0.064 0.000 1.037 300 N HN 0.177 nan 8.380 nan 0.000 0.467 301 L N 1.025 122.252 121.223 0.006 0.000 2.283 301 L HA 0.248 4.589 4.340 0.001 0.000 0.281 301 L C 0.422 177.290 176.870 -0.003 0.000 1.033 301 L CA -0.425 54.409 54.840 -0.010 0.000 0.848 301 L CB 0.824 42.811 42.059 -0.120 0.000 1.226 301 L HN -0.017 nan 8.230 nan 0.000 0.429 302 N N 2.390 121.120 118.700 0.050 0.000 2.431 302 N HA 0.178 4.919 4.740 0.001 0.000 0.265 302 N C -0.809 174.657 175.510 -0.074 0.000 1.184 302 N CA -0.267 52.790 53.050 0.010 0.000 0.943 302 N CB 1.172 39.755 38.487 0.160 0.000 1.080 302 N HN 0.266 nan 8.380 nan 0.000 0.477 303 V N 5.488 125.199 119.914 -0.338 0.000 2.472 303 V HA 0.599 4.720 4.120 0.001 0.000 0.290 303 V C -1.164 174.539 176.094 -0.652 0.000 1.037 303 V CA -0.191 61.917 62.300 -0.320 0.000 0.908 303 V CB 0.484 32.136 31.823 -0.284 0.000 0.985 303 V HN 0.545 nan 8.190 nan 0.000 0.454 304 F N 3.442 123.422 119.950 0.050 0.000 2.626 304 F HA 0.725 5.252 4.527 0.001 0.000 0.311 304 F C 0.208 176.057 175.800 0.082 0.000 1.088 304 F CA -0.555 57.499 58.000 0.089 0.000 0.949 304 F CB 2.337 41.387 39.000 0.084 0.000 1.322 304 F HN 0.548 nan 8.300 nan 0.000 0.461 305 S N 0.813 116.689 115.700 0.293 0.000 2.607 305 S HA 0.967 5.438 4.470 0.001 0.000 0.303 305 S C -1.086 173.621 174.600 0.179 0.000 1.086 305 S CA -0.708 57.615 58.200 0.205 0.000 0.995 305 S CB 1.995 65.316 63.200 0.202 0.000 1.084 305 S HN 1.154 nan 8.310 nan 0.000 0.507 306 A N 1.172 124.061 122.820 0.115 0.000 2.402 306 A HA 0.602 4.923 4.320 0.001 0.000 0.291 306 A C -1.024 176.591 177.584 0.052 0.000 1.051 306 A CA -0.702 51.385 52.037 0.083 0.000 0.716 306 A CB 0.964 20.001 19.000 0.063 0.000 1.223 306 A HN 0.942 nan 8.150 nan 0.000 0.425 307 D N 2.061 122.495 120.400 0.056 0.000 2.390 307 D HA 0.360 5.000 4.640 0.001 0.000 0.249 307 D C 0.228 176.539 176.300 0.018 0.000 1.144 307 D CA 0.023 54.046 54.000 0.039 0.000 0.880 307 D CB 0.495 41.326 40.800 0.051 0.000 1.182 307 D HN 0.396 nan 8.370 nan 0.000 0.451 308 L N 3.557 124.780 121.223 -0.001 0.000 2.984 308 L HA 0.127 4.467 4.340 0.001 0.000 0.246 308 L C 1.519 178.387 176.870 -0.004 0.000 1.268 308 L CA -0.207 54.627 54.840 -0.009 0.000 1.054 308 L CB -0.120 41.921 42.059 -0.029 0.000 1.393 308 L HN 0.472 nan 8.230 nan 0.000 0.532 309 S N -1.480 114.225 115.700 0.007 0.000 2.489 309 S HA 0.030 4.500 4.470 0.001 0.000 0.228 309 S C 1.268 175.874 174.600 0.010 0.000 0.995 309 S CA 0.261 58.467 58.200 0.011 0.000 0.934 309 S CB -0.089 63.123 63.200 0.019 0.000 0.771 309 S HN 0.374 nan 8.310 nan 0.000 0.522 310 G N 1.966 110.771 108.800 0.008 0.000 2.611 310 G HA2 0.406 4.367 3.960 0.001 0.000 0.273 310 G HA3 0.406 4.367 3.960 0.001 0.000 0.273 310 G C 0.232 175.134 174.900 0.003 0.000 1.305 310 G CA -0.027 45.077 45.100 0.006 0.000 1.010 310 G HN 0.507 nan 8.290 nan 0.000 0.509 311 T N -1.682 112.873 114.554 0.001 0.000 2.802 311 T HA 0.209 4.559 4.350 0.001 0.000 0.305 311 T C -1.468 173.229 174.700 -0.006 0.000 1.053 311 T CA -0.714 61.385 62.100 -0.001 0.000 1.058 311 T CB 1.172 70.039 68.868 -0.002 0.000 0.988 311 T HN 0.162 nan 8.240 nan 0.000 0.539 312 P HA -0.124 nan 4.420 nan 0.000 0.216 312 P C 1.764 179.051 177.300 -0.022 0.000 1.153 312 P CA 1.053 64.142 63.100 -0.019 0.000 0.858 312 P CB -0.008 31.679 31.700 -0.022 0.000 0.789 313 R N 0.062 120.550 120.500 -0.019 0.000 2.083 313 R HA -0.205 4.135 4.340 0.001 0.000 0.237 313 R C 2.245 178.536 176.300 -0.015 0.000 1.137 313 R CA 1.850 57.939 56.100 -0.019 0.000 0.951 313 R CB -0.535 29.757 30.300 -0.014 0.000 0.851 313 R HN 0.243 nan 8.270 nan 0.000 0.434 314 Q N -0.474 119.320 119.800 -0.010 0.000 2.084 314 Q HA -0.181 4.159 4.340 0.001 0.000 0.202 314 Q C 2.437 178.433 176.000 -0.006 0.000 0.978 314 Q CA 1.726 57.525 55.803 -0.006 0.000 0.844 314 Q CB -0.117 28.620 28.738 -0.001 0.000 0.898 314 Q HN 0.466 nan 8.270 nan 0.000 0.426 315 C N 0.424 119.719 119.300 -0.008 0.000 2.413 315 C HA -0.168 4.292 4.460 0.001 0.000 0.276 315 C C 2.902 177.885 174.990 -0.013 0.000 1.236 315 C CA 0.825 59.838 59.018 -0.008 0.000 1.735 315 C CB -1.260 26.473 27.740 -0.011 0.000 2.031 315 C HN 0.634 nan 8.230 nan 0.000 0.474 316 A N 0.481 123.288 122.820 -0.021 0.000 1.940 316 A HA 0.031 4.352 4.320 0.001 0.000 0.219 316 A C 2.351 179.921 177.584 -0.022 0.000 1.176 316 A CA 2.184 54.204 52.037 -0.027 0.000 0.631 316 A CB -0.840 18.138 19.000 -0.037 0.000 0.814 316 A HN 0.602 nan 8.150 nan 0.000 0.446 317 A N -0.695 122.114 122.820 -0.017 0.000 1.930 317 A HA 0.072 4.392 4.320 0.001 0.000 0.217 317 A C 2.217 179.792 177.584 -0.014 0.000 1.175 317 A CA 1.558 53.586 52.037 -0.015 0.000 0.627 317 A CB -0.854 18.140 19.000 -0.010 0.000 0.815 317 A HN 0.350 nan 8.150 nan 0.000 0.443 318 V N -0.185 119.724 119.914 -0.008 0.000 2.255 318 V HA -0.265 3.856 4.120 0.001 0.000 0.247 318 V C 2.606 178.691 176.094 -0.014 0.000 1.051 318 V CA 2.206 64.505 62.300 -0.003 0.000 1.018 318 V CB -0.845 30.983 31.823 0.009 0.000 0.641 318 V HN 0.385 nan 8.190 nan 0.000 0.445 319 V N -0.151 119.753 119.914 -0.017 0.000 2.295 319 V HA -0.300 3.820 4.120 0.001 0.000 0.246 319 V C 2.430 178.487 176.094 -0.062 0.000 1.049 319 V CA 2.374 64.655 62.300 -0.032 0.000 1.024 319 V CB -0.669 31.146 31.823 -0.013 0.000 0.648 319 V HN 0.652 nan 8.190 nan 0.000 0.447 320 E N 0.877 121.050 120.200 -0.046 0.000 2.204 320 E HA -0.196 4.154 4.350 0.001 0.000 0.195 320 E C 2.169 178.735 176.600 -0.057 0.000 0.990 320 E CA 1.208 57.578 56.400 -0.050 0.000 0.821 320 E CB -0.199 29.481 29.700 -0.034 0.000 0.750 320 E HN 0.743 nan 8.360 nan 0.000 0.477 321 S N -0.183 115.488 115.700 -0.047 0.000 2.507 321 S HA -0.087 4.384 4.470 0.001 0.000 0.235 321 S C 1.746 176.307 174.600 -0.066 0.000 0.988 321 S CA 0.565 58.741 58.200 -0.040 0.000 0.944 321 S CB -0.302 62.887 63.200 -0.019 0.000 0.762 321 S HN 0.344 nan 8.310 nan 0.000 0.526 322 L N 0.428 121.576 121.223 -0.125 0.000 2.492 322 L HA 0.185 4.525 4.340 0.001 0.000 0.223 322 L C 2.213 178.931 176.870 -0.253 0.000 1.132 322 L CA 0.205 54.901 54.840 -0.240 0.000 0.850 322 L CB -0.528 41.264 42.059 -0.445 0.000 0.966 322 L HN 0.304 nan 8.230 nan 0.000 0.454 323 L N 0.401 121.530 121.223 -0.157 0.000 2.043 323 L HA -0.192 4.148 4.340 0.001 0.000 0.212 323 L C -0.171 176.660 176.870 -0.065 0.000 1.075 323 L CA 1.600 56.372 54.840 -0.113 0.000 0.752 323 L CB -1.724 40.296 42.059 -0.065 0.000 0.891 323 L HN 0.248 nan 8.230 nan 0.000 0.432 324 P HA -0.154 nan 4.420 nan 0.000 0.221 324 P C 1.549 178.865 177.300 0.027 0.000 1.145 324 P CA 1.270 64.370 63.100 -0.000 0.000 0.795 324 P CB 0.082 31.786 31.700 0.006 0.000 0.775 325 L N -3.265 117.972 121.223 0.023 0.000 2.567 325 L HA 0.170 4.511 4.340 0.001 0.000 0.225 325 L C 1.191 178.188 176.870 0.211 0.000 1.119 325 L CA -0.012 54.910 54.840 0.136 0.000 0.871 325 L CB -0.278 41.928 42.059 0.245 0.000 1.036 325 L HN 0.040 nan 8.230 nan 0.000 0.459 326 M N -0.522 119.113 119.600 0.058 0.000 2.288 326 M HA 0.180 4.660 4.480 0.001 0.000 0.334 326 M C 0.466 176.829 176.300 0.106 0.000 1.150 326 M CA -0.098 55.263 55.300 0.100 0.000 1.118 326 M CB 1.570 34.134 32.600 -0.060 0.000 1.501 326 M HN -0.080 nan 8.290 nan 0.000 0.462 327 S N 1.268 117.045 115.700 0.128 0.000 2.549 327 S HA 0.275 4.746 4.470 0.001 0.000 0.283 327 S C -0.191 174.434 174.600 0.043 0.000 1.320 327 S CA -0.736 57.514 58.200 0.082 0.000 1.058 327 S CB 0.278 63.529 63.200 0.086 0.000 0.882 327 S HN 0.709 nan 8.310 nan 0.000 0.498 328 S N 1.413 117.133 115.700 0.033 0.000 2.600 328 S HA 0.842 5.312 4.470 0.001 0.000 0.300 328 S C -0.237 174.378 174.600 0.025 0.000 1.087 328 S CA -0.919 57.292 58.200 0.019 0.000 0.965 328 S CB 1.636 64.848 63.200 0.020 0.000 1.089 328 S HN 0.735 nan 8.310 nan 0.000 0.496 329 T N -0.953 113.617 114.554 0.026 0.000 2.940 329 T HA 0.694 5.044 4.350 0.001 0.000 0.288 329 T C -0.645 174.083 174.700 0.046 0.000 1.045 329 T CA -1.080 61.046 62.100 0.043 0.000 1.018 329 T CB 0.651 69.559 68.868 0.067 0.000 1.151 329 T HN 0.606 nan 8.240 nan 0.000 0.529 330 L N 1.963 123.214 121.223 0.047 0.000 2.295 330 L HA 0.574 4.914 4.340 0.001 0.000 0.281 330 L C 0.391 177.290 176.870 0.048 0.000 1.018 330 L CA -0.626 54.236 54.840 0.037 0.000 0.841 330 L CB 1.302 43.373 42.059 0.021 0.000 1.218 330 L HN 0.808 nan 8.230 nan 0.000 0.424 331 S N 1.597 117.331 115.700 0.056 0.000 2.721 331 S HA 0.653 5.123 4.470 0.001 0.000 0.296 331 S C -1.169 173.465 174.600 0.057 0.000 1.093 331 S CA -0.480 57.757 58.200 0.062 0.000 0.959 331 S CB 1.586 64.837 63.200 0.085 0.000 1.301 331 S HN 0.766 nan 8.310 nan 0.000 0.550 332 D N -0.957 119.484 120.400 0.070 0.000 2.592 332 D HA 0.286 4.926 4.640 0.001 0.000 0.263 332 D C 0.323 176.717 176.300 0.157 0.000 1.132 332 D CA -0.701 53.366 54.000 0.112 0.000 0.996 332 D CB -0.273 40.588 40.800 0.102 0.000 1.442 332 D HN 0.360 nan 8.370 nan 0.000 0.486 333 F N 0.592 120.598 119.950 0.092 0.000 2.171 333 F HA -0.107 4.421 4.527 0.001 0.000 0.300 333 F C 1.413 177.249 175.800 0.060 0.000 1.090 333 F CA 1.668 59.727 58.000 0.098 0.000 1.293 333 F CB 0.014 39.087 39.000 0.123 0.000 1.013 333 F HN 0.215 nan 8.300 nan 0.000 0.486 334 D N -0.437 120.027 120.400 0.106 0.000 2.117 334 D HA -0.128 4.512 4.640 0.001 0.000 0.198 334 D C 2.469 178.728 176.300 -0.068 0.000 0.982 334 D CA 1.618 55.620 54.000 0.004 0.000 0.828 334 D CB -0.390 40.455 40.800 0.076 0.000 0.967 334 D HN 0.247 nan 8.370 nan 0.000 0.464 335 S N 0.691 116.371 115.700 -0.034 0.000 2.368 335 S HA -0.087 4.384 4.470 0.001 0.000 0.224 335 S C 2.134 176.697 174.600 -0.061 0.000 1.029 335 S CA 0.992 59.162 58.200 -0.050 0.000 0.988 335 S CB -0.195 62.987 63.200 -0.030 0.000 0.838 335 S HN 0.345 nan 8.310 nan 0.000 0.462 336 A N 1.697 124.477 122.820 -0.067 0.000 1.902 336 A HA -0.092 4.229 4.320 0.001 0.000 0.217 336 A C 2.334 179.823 177.584 -0.158 0.000 1.181 336 A CA 1.887 53.877 52.037 -0.077 0.000 0.623 336 A CB -0.939 18.021 19.000 -0.067 0.000 0.818 336 A HN 0.440 nan 8.150 nan 0.000 0.443 337 S N -0.088 115.428 115.700 -0.307 0.000 2.368 337 S HA -0.066 4.404 4.470 0.001 0.000 0.225 337 S C 2.293 176.817 174.600 -0.127 0.000 1.030 337 S CA 1.214 59.237 58.200 -0.295 0.000 0.999 337 S CB -0.484 62.468 63.200 -0.413 0.000 0.844 337 S HN 0.813 nan 8.310 nan 0.000 0.459 338 A N 1.297 124.064 122.820 -0.087 0.000 1.933 338 A HA -0.003 4.318 4.320 0.001 0.000 0.218 338 A C 2.109 179.709 177.584 0.027 0.000 1.175 338 A CA 1.092 53.117 52.037 -0.021 0.000 0.628 338 A CB -0.683 18.296 19.000 -0.036 0.000 0.814 338 A HN 0.450 nan 8.150 nan 0.000 0.444 339 L N -0.919 120.316 121.223 0.020 0.000 2.046 339 L HA -0.212 4.128 4.340 0.001 0.000 0.208 339 L C 2.630 179.565 176.870 0.108 0.000 1.077 339 L CA 1.832 56.746 54.840 0.124 0.000 0.747 339 L CB -0.442 41.709 42.059 0.153 0.000 0.896 339 L HN 0.590 nan 8.230 nan 0.000 0.432 340 E N 0.533 120.737 120.200 0.005 0.000 2.058 340 E HA -0.239 4.111 4.350 0.001 0.000 0.194 340 E C 2.284 178.860 176.600 -0.040 0.000 0.997 340 E CA 1.420 57.790 56.400 -0.050 0.000 0.801 340 E CB 0.015 29.672 29.700 -0.071 0.000 0.746 340 E HN 0.251 nan 8.360 nan 0.000 0.450 341 R N -0.009 120.488 120.500 -0.006 0.000 2.081 341 R HA -0.082 4.259 4.340 0.001 0.000 0.235 341 R C 2.472 178.806 176.300 0.056 0.000 1.131 341 R CA 1.145 57.255 56.100 0.016 0.000 0.960 341 R CB -0.464 29.852 30.300 0.027 0.000 0.856 341 R HN 0.272 nan 8.270 nan 0.000 0.436 342 A N 1.403 124.305 122.820 0.136 0.000 1.902 342 A HA -0.135 4.186 4.320 0.001 0.000 0.217 342 A C 2.400 180.096 177.584 0.186 0.000 1.181 342 A CA 1.743 53.931 52.037 0.252 0.000 0.623 342 A CB -0.659 18.605 19.000 0.441 0.000 0.818 342 A HN 0.402 nan 8.150 nan 0.000 0.443 343 A N -0.502 122.262 122.820 -0.093 0.000 1.877 343 A HA -0.160 4.160 4.320 0.001 0.000 0.216 343 A C 2.243 179.680 177.584 -0.245 0.000 1.186 343 A CA 1.743 53.411 52.037 -0.615 0.000 0.620 343 A CB -0.473 18.006 19.000 -0.868 0.000 0.822 343 A HN 0.513 nan 8.150 nan 0.000 0.443 344 R N -1.165 119.257 120.500 -0.131 0.000 2.083 344 R HA -0.103 4.238 4.340 0.001 0.000 0.237 344 R C 2.377 178.660 176.300 -0.029 0.000 1.137 344 R CA 2.081 58.137 56.100 -0.073 0.000 0.951 344 R CB -0.617 29.653 30.300 -0.050 0.000 0.851 344 R HN 0.540 nan 8.270 nan 0.000 0.434 345 T N 0.012 114.575 114.554 0.015 0.000 2.737 345 T HA -0.137 4.213 4.350 0.001 0.000 0.265 345 T C 1.379 176.123 174.700 0.074 0.000 1.038 345 T CA 1.287 63.411 62.100 0.039 0.000 1.144 345 T CB -0.265 68.639 68.868 0.059 0.000 0.866 345 T HN 0.186 nan 8.240 nan 0.000 0.434 346 F N 2.050 121.977 119.950 -0.038 0.000 2.146 346 F HA -0.089 4.439 4.527 0.001 0.000 0.298 346 F C 2.431 178.185 175.800 -0.076 0.000 1.096 346 F CA 0.921 58.906 58.000 -0.026 0.000 1.275 346 F CB -0.108 38.942 39.000 0.083 0.000 1.008 346 F HN 0.111 nan 8.300 nan 0.000 0.480 347 N N 0.452 119.144 118.700 -0.012 0.000 2.120 347 N HA -0.194 4.546 4.740 0.001 0.000 0.188 347 N C 1.950 177.393 175.510 -0.111 0.000 1.024 347 N CA 1.366 54.363 53.050 -0.089 0.000 0.852 347 N CB -0.431 38.015 38.487 -0.068 0.000 1.003 347 N HN 0.370 nan 8.380 nan 0.000 0.424 348 A N 1.525 124.293 122.820 -0.086 0.000 1.873 348 A HA -0.120 4.201 4.320 0.001 0.000 0.215 348 A C 1.988 179.502 177.584 -0.117 0.000 1.186 348 A CA 1.264 53.251 52.037 -0.083 0.000 0.616 348 A CB -0.429 18.537 19.000 -0.058 0.000 0.823 348 A HN 0.316 nan 8.150 nan 0.000 0.442 349 E N -0.945 119.169 120.200 -0.144 0.000 2.285 349 E HA -0.030 4.321 4.350 0.001 0.000 0.194 349 E C 1.478 177.931 176.600 -0.246 0.000 0.997 349 E CA 0.633 56.932 56.400 -0.168 0.000 0.845 349 E CB -0.071 29.549 29.700 -0.133 0.000 0.782 349 E HN 0.465 nan 8.360 nan 0.000 0.491 350 M N 0.222 119.607 119.600 -0.357 0.000 2.509 350 M HA 0.115 4.596 4.480 0.001 0.000 0.250 350 M C 1.130 177.279 176.300 -0.251 0.000 1.132 350 M CA 0.199 55.248 55.300 -0.418 0.000 1.080 350 M CB -0.273 31.867 32.600 -0.766 0.000 1.408 350 M HN -0.113 nan 8.290 nan 0.000 0.484 351 G N 1.130 109.823 108.800 -0.178 0.000 2.491 351 G HA2 0.354 4.314 3.960 0.001 0.000 0.238 351 G HA3 0.354 4.314 3.960 0.001 0.000 0.238 351 G C 0.555 175.406 174.900 -0.082 0.000 1.277 351 G CA -0.499 44.539 45.100 -0.103 0.000 0.851 351 G HN 0.164 nan 8.290 nan 0.000 0.573 352 V N 0.000 119.886 119.914 -0.047 0.000 2.409 352 V HA 0.000 4.120 4.120 0.001 0.000 0.244 352 V CA 0.000 62.282 62.300 -0.030 0.000 1.235 352 V CB 0.000 31.812 31.823 -0.018 0.000 1.184 352 V HN 0.000 nan 8.190 nan 0.000 0.556