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 1xac_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKVAVLPGDG IGPEVTEAAL KVLRALDEAE GLGLAYEVFP FGGAAIDAFG DATA SEQUENCE EPFPEPTRKG VEEAEAVLLG SVGGPKWDQN PRELRPEKGL LSIRKQLDLF DATA SEQUENCE ANLRPVKVFE SLSDASPLKK EYIDNVDFVI VRELTGGIYF GEPRGMSEAE DATA SEQUENCE AWNTERYSKP EVERVARVAF EAARKRRKHV VSVDKANVLE VGEFWRKTVE DATA SEQUENCE EVGRGYPDVA LEHQYVDAMA MHLVRSPARF DVVVTGNIFG DILSDLASVL DATA SEQUENCE PGSLGLLPSA SLGRGTPVFE PVHGSAPDIA GKGIANPTAA ILSAAMMLEH DATA SEQUENCE AFGLVELARK VEDAVAKALL ETPPPDLGGS AGTEAFTATV LRHLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.171 176.300 -0.215 0.000 1.140 1 M CA 0.000 54.967 55.300 -0.556 0.000 0.988 1 M CB 0.000 32.140 32.600 -0.766 0.000 1.302 2 K N 7.596 127.989 120.400 -0.012 0.000 2.264 2 K HA 0.574 nan 4.320 nan 0.000 0.277 2 K C -2.176 174.541 176.600 0.194 0.000 1.067 2 K CA -0.913 55.435 56.287 0.102 0.000 0.900 2 K CB 1.804 34.371 32.500 0.112 0.000 1.124 2 K HN 0.275 8.836 8.250 0.064 -0.273 0.469 3 V N 7.713 127.745 119.914 0.196 0.000 2.407 3 V HA 0.454 nan 4.120 nan 0.000 0.291 3 V C -1.628 174.608 176.094 0.237 0.000 1.018 3 V CA -1.449 60.981 62.300 0.216 0.000 0.842 3 V CB 2.411 34.338 31.823 0.173 0.000 0.996 3 V HN 0.299 8.602 8.190 0.189 0.000 0.426 4 A N 8.021 130.969 122.820 0.213 0.000 2.354 4 A HA 0.548 nan 4.320 nan 0.000 0.281 4 A C -1.336 176.398 177.584 0.250 0.000 1.174 4 A CA -0.655 51.560 52.037 0.297 0.000 0.828 4 A CB 0.709 19.750 19.000 0.070 0.000 1.099 4 A HN 0.483 8.730 8.150 0.162 0.000 0.516 5 V N 4.524 124.618 119.914 0.300 0.000 2.394 5 V HA 0.424 nan 4.120 nan 0.000 0.282 5 V C -1.295 174.904 176.094 0.175 0.000 1.031 5 V CA -0.380 62.013 62.300 0.155 0.000 0.881 5 V CB 1.253 33.114 31.823 0.063 0.000 0.982 5 V HN 0.739 9.176 8.190 0.413 0.000 0.451 6 L N 7.575 128.849 121.223 0.085 0.000 2.435 6 L HA 0.631 nan 4.340 nan 0.000 0.253 6 L C -2.089 174.838 176.870 0.095 0.000 1.087 6 L CA -2.893 51.990 54.840 0.073 0.000 0.950 6 L CB -0.365 41.597 42.059 -0.162 0.000 1.304 6 L HN 0.853 9.106 8.230 0.037 0.000 0.453 7 P HA -0.076 nan 4.420 nan 0.000 0.222 7 P C -0.104 177.279 177.300 0.138 0.000 1.147 7 P CA 0.597 63.762 63.100 0.107 0.000 0.790 7 P CB 0.159 31.917 31.700 0.096 0.000 0.780 8 G N -2.147 106.764 108.800 0.185 0.000 2.539 8 G HA2 -0.410 nan 3.960 nan 0.000 0.256 8 G HA3 -0.410 nan 3.960 nan 0.000 0.256 8 G C -0.955 174.013 174.900 0.113 0.000 1.233 8 G CA -0.225 44.986 45.100 0.185 0.000 0.936 8 G HN -0.358 8.045 8.290 0.210 0.013 0.571 9 D N 1.900 122.353 120.400 0.089 0.000 2.449 9 D HA 0.294 nan 4.640 nan 0.000 0.250 9 D C 0.592 176.962 176.300 0.117 0.000 1.050 9 D CA -0.296 53.760 54.000 0.093 0.000 1.024 9 D CB 2.186 43.034 40.800 0.081 0.000 1.218 9 D HN 0.421 8.733 8.370 0.094 0.115 0.566 10 G N 1.105 109.982 108.800 0.129 0.000 2.634 10 G HA2 -0.371 nan 3.960 nan 0.000 0.318 10 G HA3 -0.371 nan 3.960 nan 0.000 0.318 10 G C 0.961 175.912 174.900 0.086 0.000 1.207 10 G CA 1.664 46.828 45.100 0.107 0.000 0.987 10 G HN 0.177 8.559 8.290 0.153 0.000 0.547 11 I N -1.635 118.981 120.570 0.077 0.000 3.684 11 I HA 0.152 nan 4.170 nan 0.000 0.304 11 I C 1.432 177.611 176.117 0.103 0.000 1.278 11 I CA 0.160 61.501 61.300 0.070 0.000 1.272 11 I CB -0.615 37.403 38.000 0.030 0.000 1.029 11 I HN 0.298 8.443 8.210 0.078 0.113 0.458 12 G N 1.836 110.710 108.800 0.123 0.000 2.491 12 G HA2 -0.259 nan 3.960 nan 0.000 0.218 12 G HA3 -0.259 nan 3.960 nan 0.000 0.218 12 G C -1.533 173.425 174.900 0.095 0.000 1.180 12 G CA 3.345 48.518 45.100 0.122 0.000 0.774 12 G HN 0.408 8.722 8.290 0.123 0.050 0.562 13 P HA -0.323 nan 4.420 nan 0.000 0.216 13 P C 1.670 179.008 177.300 0.062 0.000 1.167 13 P CA 3.430 66.573 63.100 0.073 0.000 0.914 13 P CB -0.185 31.559 31.700 0.073 0.000 0.793 14 E N -3.056 117.181 120.200 0.062 0.000 2.031 14 E HA -0.328 nan 4.350 nan 0.000 0.193 14 E C 2.596 179.233 176.600 0.061 0.000 0.994 14 E CA 3.238 59.671 56.400 0.056 0.000 0.800 14 E CB -0.198 29.532 29.700 0.051 0.000 0.752 14 E HN 0.053 8.452 8.360 0.065 0.000 0.447 15 V N -5.630 114.331 119.914 0.078 0.000 2.871 15 V HA -0.090 nan 4.120 nan 0.000 0.256 15 V C 1.992 178.128 176.094 0.069 0.000 1.082 15 V CA 3.503 65.858 62.300 0.090 0.000 1.105 15 V CB -1.091 30.818 31.823 0.143 0.000 0.713 15 V HN 0.002 8.244 8.190 0.087 0.000 0.473 16 T N 3.127 117.714 114.554 0.055 0.000 2.951 16 T HA -0.192 nan 4.350 nan 0.000 0.268 16 T C 1.505 176.199 174.700 -0.009 0.000 1.073 16 T CA 4.795 66.909 62.100 0.022 0.000 1.134 16 T CB -0.700 68.180 68.868 0.020 0.000 0.884 16 T HN 0.382 8.662 8.240 0.066 0.000 0.479 17 E N 2.277 122.481 120.200 0.007 0.000 2.072 17 E HA -0.262 nan 4.350 nan 0.000 0.190 17 E C 1.264 177.866 176.600 0.002 0.000 0.982 17 E CA 2.378 58.774 56.400 -0.006 0.000 0.803 17 E CB -0.744 28.968 29.700 0.019 0.000 0.755 17 E HN -0.429 7.948 8.360 0.027 0.000 0.453 18 A N -1.595 121.243 122.820 0.030 0.000 1.978 18 A HA -0.240 nan 4.320 nan 0.000 0.220 18 A C 1.985 179.585 177.584 0.025 0.000 1.170 18 A CA 2.873 54.935 52.037 0.041 0.000 0.636 18 A CB -0.991 18.058 19.000 0.082 0.000 0.810 18 A HN -0.387 7.715 8.150 0.042 0.073 0.448 19 A N -1.426 121.402 122.820 0.014 0.000 1.872 19 A HA -0.228 nan 4.320 nan 0.000 0.214 19 A C 1.960 179.517 177.584 -0.045 0.000 1.187 19 A CA 2.730 54.764 52.037 -0.006 0.000 0.614 19 A CB -0.671 18.324 19.000 -0.009 0.000 0.826 19 A HN -0.678 7.380 8.150 0.019 0.103 0.442 20 L N -1.908 119.263 121.223 -0.088 0.000 2.046 20 L HA -0.521 nan 4.340 nan 0.000 0.208 20 L C 2.275 179.105 176.870 -0.067 0.000 1.077 20 L CA 3.142 57.894 54.840 -0.147 0.000 0.747 20 L CB -0.367 41.524 42.059 -0.279 0.000 0.896 20 L HN 0.122 8.239 8.230 -0.083 0.063 0.432 21 K N -1.867 118.515 120.400 -0.030 0.000 2.211 21 K HA -0.373 nan 4.320 nan 0.000 0.204 21 K C 2.357 178.949 176.600 -0.013 0.000 1.047 21 K CA 3.499 59.781 56.287 -0.009 0.000 0.935 21 K CB -0.510 31.990 32.500 -0.001 0.000 0.728 21 K HN 0.148 8.382 8.250 -0.026 0.000 0.452 22 V N 0.721 120.624 119.914 -0.018 0.000 2.346 22 V HA -0.268 nan 4.120 nan 0.000 0.244 22 V C 1.452 177.534 176.094 -0.021 0.000 1.037 22 V CA 4.155 66.443 62.300 -0.019 0.000 1.029 22 V CB -0.370 31.444 31.823 -0.015 0.000 0.663 22 V HN -0.441 7.614 8.190 -0.019 0.123 0.454 23 L N -2.472 118.734 121.223 -0.029 0.000 2.275 23 L HA -0.386 nan 4.340 nan 0.000 0.215 23 L C 2.612 179.474 176.870 -0.013 0.000 1.119 23 L CA 3.067 57.890 54.840 -0.029 0.000 0.790 23 L CB -0.834 41.197 42.059 -0.045 0.000 0.919 23 L HN -0.221 7.913 8.230 -0.037 0.074 0.443 24 R N -0.970 119.530 120.500 0.001 0.000 2.080 24 R HA -0.225 nan 4.340 nan 0.000 0.222 24 R C 1.779 178.081 176.300 0.005 0.000 1.107 24 R CA 3.408 59.521 56.100 0.022 0.000 0.980 24 R CB -0.166 30.162 30.300 0.047 0.000 0.879 24 R HN 0.320 8.572 8.270 -0.006 0.015 0.439 25 A N 0.947 123.765 122.820 -0.003 0.000 1.892 25 A HA -0.257 nan 4.320 nan 0.000 0.218 25 A C 2.270 179.847 177.584 -0.013 0.000 1.188 25 A CA 3.263 55.294 52.037 -0.009 0.000 0.631 25 A CB -0.916 18.075 19.000 -0.015 0.000 0.822 25 A HN -0.440 7.708 8.150 -0.005 0.000 0.447 26 L N -3.213 118.001 121.223 -0.015 0.000 2.027 26 L HA -0.444 nan 4.340 nan 0.000 0.206 26 L C 1.650 178.507 176.870 -0.021 0.000 1.074 26 L CA 3.019 57.848 54.840 -0.018 0.000 0.745 26 L CB -0.470 41.577 42.059 -0.020 0.000 0.898 26 L HN 0.004 8.225 8.230 -0.015 0.000 0.433 27 D N -1.102 119.285 120.400 -0.022 0.000 2.123 27 D HA -0.357 nan 4.640 nan 0.000 0.196 27 D C 2.355 178.642 176.300 -0.021 0.000 0.992 27 D CA 3.578 57.561 54.000 -0.027 0.000 0.833 27 D CB 0.055 40.842 40.800 -0.021 0.000 0.954 27 D HN -0.557 7.735 8.370 -0.019 0.067 0.455 28 E N -0.304 119.888 120.200 -0.013 0.000 2.001 28 E HA -0.379 nan 4.350 nan 0.000 0.195 28 E C 2.741 179.332 176.600 -0.015 0.000 1.002 28 E CA 2.703 59.096 56.400 -0.012 0.000 0.819 28 E CB -0.116 29.579 29.700 -0.008 0.000 0.769 28 E HN 0.097 8.435 8.360 -0.010 0.017 0.454 29 A N -1.686 121.125 122.820 -0.014 0.000 1.997 29 A HA -0.231 nan 4.320 nan 0.000 0.221 29 A C 1.852 179.426 177.584 -0.015 0.000 1.172 29 A CA 2.716 54.745 52.037 -0.014 0.000 0.645 29 A CB -0.429 18.563 19.000 -0.014 0.000 0.813 29 A HN 0.002 8.143 8.150 -0.014 0.000 0.454 30 E N -5.432 114.757 120.200 -0.019 0.000 2.514 30 E HA 0.099 nan 4.350 nan 0.000 0.215 30 E C 0.093 176.678 176.600 -0.024 0.000 0.946 30 E CA -0.591 55.797 56.400 -0.020 0.000 1.038 30 E CB 1.232 30.920 29.700 -0.021 0.000 1.069 30 E HN -0.010 8.205 8.360 -0.021 0.133 0.503 31 G N 0.500 109.283 108.800 -0.027 0.000 2.694 31 G HA2 -0.332 nan 3.960 nan 0.000 0.247 31 G HA3 -0.332 nan 3.960 nan 0.000 0.247 31 G C -0.776 174.098 174.900 -0.043 0.000 0.989 31 G CA 0.520 45.602 45.100 -0.031 0.000 1.252 31 G HN -0.172 8.009 8.290 -0.026 0.094 0.483 32 L N 1.540 122.729 121.223 -0.058 0.000 2.672 32 L HA 0.259 nan 4.340 nan 0.000 0.236 32 L C 0.348 177.149 176.870 -0.114 0.000 1.092 32 L CA -1.236 53.549 54.840 -0.091 0.000 0.887 32 L CB 0.951 42.945 42.059 -0.109 0.000 1.168 32 L HN -0.094 8.305 8.230 -0.052 -0.200 0.502 33 G N -0.130 108.622 108.800 -0.081 0.000 2.353 33 G HA2 -0.346 nan 3.960 nan 0.000 0.294 33 G HA3 -0.346 nan 3.960 nan 0.000 0.294 33 G C -0.746 174.100 174.900 -0.090 0.000 1.077 33 G CA -0.073 44.982 45.100 -0.075 0.000 1.098 33 G HN -0.379 7.942 8.290 -0.062 -0.067 0.511 34 L N -1.052 120.130 121.223 -0.067 0.000 2.410 34 L HA -0.054 nan 4.340 nan 0.000 0.273 34 L C -0.834 176.032 176.870 -0.006 0.000 1.152 34 L CA 0.368 55.185 54.840 -0.038 0.000 0.855 34 L CB 0.492 42.570 42.059 0.033 0.000 1.129 34 L HN -0.495 8.085 8.230 -0.049 -0.379 0.463 35 A N 6.531 129.356 122.820 0.009 0.000 2.335 35 A HA 0.392 nan 4.320 nan 0.000 0.304 35 A C -2.845 174.796 177.584 0.094 0.000 1.118 35 A CA -0.698 51.340 52.037 0.002 0.000 0.757 35 A CB 2.712 21.705 19.000 -0.011 0.000 1.188 35 A HN 0.711 8.758 8.150 -0.002 0.102 0.460 36 Y N -1.027 119.277 120.300 0.006 0.000 2.605 36 Y HA 0.964 nan 4.550 nan 0.000 0.343 36 Y C -2.165 173.745 175.900 0.017 0.000 1.036 36 Y CA -2.381 55.739 58.100 0.033 0.000 1.065 36 Y CB 2.897 41.374 38.460 0.028 0.000 1.288 36 Y HN -0.040 8.109 8.280 -0.217 0.000 0.481 37 E N 0.319 120.672 120.200 0.255 0.000 2.340 37 E HA 0.324 nan 4.350 nan 0.000 0.273 37 E C -2.554 174.078 176.600 0.054 0.000 0.891 37 E CA -1.627 54.775 56.400 0.003 0.000 0.757 37 E CB 4.227 33.845 29.700 -0.137 0.000 1.231 37 E HN 0.262 8.855 8.360 0.387 0.000 0.439 38 V N 4.450 124.318 119.914 -0.077 0.000 2.394 38 V HA 0.561 nan 4.120 nan 0.000 0.282 38 V C -0.848 175.115 176.094 -0.218 0.000 1.031 38 V CA -0.420 61.881 62.300 0.001 0.000 0.881 38 V CB 0.641 32.515 31.823 0.085 0.000 0.982 38 V HN 0.317 8.420 8.190 -0.146 0.000 0.451 39 F N 7.979 127.983 119.950 0.090 0.000 2.507 39 F HA 0.499 nan 4.527 nan 0.000 0.327 39 F C -1.874 174.004 175.800 0.129 0.000 1.068 39 F CA -2.950 55.097 58.000 0.078 0.000 0.965 39 F CB 2.039 41.067 39.000 0.047 0.000 1.192 39 F HN 0.131 8.646 8.300 0.359 0.000 0.476 40 P HA -0.010 nan 4.420 nan 0.000 0.276 40 P C -2.274 175.279 177.300 0.423 0.000 1.230 40 P CA -0.038 63.285 63.100 0.372 0.000 0.776 40 P CB 0.596 32.614 31.700 0.530 0.000 0.888 41 F N 3.326 123.375 119.950 0.164 0.000 2.654 41 F HA 0.111 nan 4.527 nan 0.000 0.314 41 F C -1.462 174.355 175.800 0.028 0.000 1.116 41 F CA -0.493 57.581 58.000 0.124 0.000 1.017 41 F CB 2.830 41.897 39.000 0.112 0.000 1.285 41 F HN -0.271 8.236 8.300 0.346 0.000 0.448 42 G N 5.646 114.256 108.800 -0.318 0.000 2.526 42 G HA2 -0.319 nan 3.960 nan 0.000 0.250 42 G HA3 -0.319 nan 3.960 nan 0.000 0.250 42 G C -0.770 173.826 174.900 -0.506 0.000 1.289 42 G CA -0.484 44.358 45.100 -0.429 0.000 0.947 42 G HN 0.583 8.520 8.290 -0.408 0.109 0.517 43 G N -0.208 108.101 108.800 -0.818 0.000 2.499 43 G HA2 -0.413 nan 3.960 nan 0.000 0.221 43 G HA3 -0.413 nan 3.960 nan 0.000 0.221 43 G C 0.547 174.913 174.900 -0.891 0.000 1.109 43 G CA 2.090 46.154 45.100 -1.726 0.000 0.749 43 G HN 0.110 8.243 8.290 -0.675 -0.248 0.568 44 A N 0.926 123.528 122.820 -0.362 0.000 1.970 44 A HA -0.011 nan 4.320 nan 0.000 0.216 44 A C 1.534 179.088 177.584 -0.049 0.000 1.170 44 A CA 2.338 54.325 52.037 -0.083 0.000 0.645 44 A CB -0.641 18.370 19.000 0.018 0.000 0.816 44 A HN -0.080 8.006 8.150 -0.316 -0.126 0.447 45 A N -0.872 121.936 122.820 -0.021 0.000 2.021 45 A HA -0.106 nan 4.320 nan 0.000 0.216 45 A C 1.986 179.590 177.584 0.034 0.000 1.163 45 A CA 2.411 54.535 52.037 0.146 0.000 0.676 45 A CB -0.588 18.565 19.000 0.256 0.000 0.818 45 A HN -0.164 7.823 8.150 -0.086 0.112 0.453 46 I N -0.477 120.013 120.570 -0.133 0.000 2.202 46 I HA -0.628 nan 4.170 nan 0.000 0.242 46 I C 1.790 177.898 176.117 -0.016 0.000 1.091 46 I CA 4.573 65.814 61.300 -0.099 0.000 1.368 46 I CB -0.275 37.580 38.000 -0.241 0.000 1.058 46 I HN 0.394 8.348 8.210 -0.281 0.087 0.410 47 D N 0.125 120.531 120.400 0.010 0.000 2.123 47 D HA -0.312 nan 4.640 nan 0.000 0.196 47 D C 1.510 177.764 176.300 -0.076 0.000 0.992 47 D CA 3.224 57.261 54.000 0.061 0.000 0.833 47 D CB -0.421 40.462 40.800 0.138 0.000 0.954 47 D HN -0.288 8.048 8.370 -0.058 0.000 0.455 48 A N -2.424 120.262 122.820 -0.223 0.000 1.887 48 A HA -0.056 nan 4.320 nan 0.000 0.212 48 A C 1.121 178.326 177.584 -0.631 0.000 1.198 48 A CA 2.015 53.724 52.037 -0.546 0.000 0.628 48 A CB 0.707 19.110 19.000 -0.995 0.000 0.847 48 A HN -0.291 7.570 8.150 -0.175 0.184 0.449 49 F N -3.781 116.186 119.950 0.027 0.000 2.678 49 F HA 0.255 nan 4.527 nan 0.000 0.305 49 F C 0.446 176.257 175.800 0.018 0.000 1.090 49 F CA -0.353 57.661 58.000 0.024 0.000 1.272 49 F CB 0.575 39.591 39.000 0.026 0.000 1.060 49 F HN 0.270 8.370 8.300 -0.142 0.115 0.576 50 G N -1.400 107.465 108.800 0.108 0.000 2.147 50 G HA2 -0.379 nan 3.960 nan 0.000 0.244 50 G HA3 -0.379 nan 3.960 nan 0.000 0.244 50 G C -1.552 173.396 174.900 0.080 0.000 1.005 50 G CA 0.162 45.311 45.100 0.082 0.000 0.713 50 G HN -0.048 8.141 8.290 0.051 0.132 0.515 51 E N -3.820 116.432 120.200 0.087 0.000 2.389 51 E HA 0.180 nan 4.350 nan 0.000 0.281 51 E C -2.807 173.817 176.600 0.040 0.000 1.072 51 E CA -2.986 53.446 56.400 0.054 0.000 0.845 51 E CB 0.497 30.236 29.700 0.065 0.000 1.239 51 E HN -0.762 7.644 8.360 0.125 0.029 0.434 52 P HA -0.014 nan 4.420 nan 0.000 0.229 52 P C -1.706 175.594 177.300 0.001 0.000 1.160 52 P CA 1.519 64.552 63.100 -0.112 0.000 0.777 52 P CB 0.602 32.159 31.700 -0.239 0.000 0.814 53 F N -1.868 118.061 119.950 -0.035 0.000 2.809 53 F HA 0.494 nan 4.527 nan 0.000 0.369 53 F C -3.323 172.515 175.800 0.063 0.000 1.225 53 F CA -4.437 53.632 58.000 0.115 0.000 1.201 53 F CB 0.919 40.005 39.000 0.144 0.000 1.527 53 F HN -0.505 7.846 8.300 0.176 0.054 0.565 54 P HA 0.338 nan 4.420 nan 0.000 0.284 54 P C -0.354 176.773 177.300 -0.288 0.000 1.258 54 P CA -1.178 61.835 63.100 -0.145 0.000 0.824 54 P CB 2.116 33.726 31.700 -0.151 0.000 1.038 55 E N 0.430 120.479 120.200 -0.252 0.000 2.267 55 E HA -0.225 nan 4.350 nan 0.000 0.197 55 E C 0.108 176.571 176.600 -0.229 0.000 0.998 55 E CA 5.518 61.763 56.400 -0.259 0.000 0.830 55 E CB -1.928 27.671 29.700 -0.169 0.000 0.751 55 E HN 0.710 8.957 8.360 -0.188 0.000 0.491 56 P HA -0.217 nan 4.420 nan 0.000 0.215 56 P C 1.589 178.826 177.300 -0.104 0.000 1.157 56 P CA 2.947 65.996 63.100 -0.086 0.000 0.874 56 P CB -0.483 31.166 31.700 -0.086 0.000 0.790 57 T N 0.657 115.110 114.554 -0.169 0.000 2.777 57 T HA -0.216 nan 4.350 nan 0.000 0.266 57 T C 2.500 176.919 174.700 -0.468 0.000 1.040 57 T CA 4.695 66.627 62.100 -0.280 0.000 1.141 57 T CB -0.653 68.210 68.868 -0.009 0.000 0.868 57 T HN 0.151 8.192 8.240 -0.194 0.083 0.444 58 R N 1.186 121.274 120.500 -0.687 0.000 2.113 58 R HA -0.351 nan 4.340 nan 0.000 0.244 58 R C 1.815 177.918 176.300 -0.329 0.000 1.142 58 R CA 3.127 58.825 56.100 -0.669 0.000 0.953 58 R CB -0.664 29.302 30.300 -0.555 0.000 0.860 58 R HN -0.325 7.534 8.270 -0.685 0.000 0.438 59 K N -0.804 119.431 120.400 -0.274 0.000 2.057 59 K HA -0.277 nan 4.320 nan 0.000 0.206 59 K C 2.136 178.596 176.600 -0.234 0.000 1.050 59 K CA 3.094 59.272 56.287 -0.182 0.000 0.935 59 K CB -0.222 32.213 32.500 -0.107 0.000 0.715 59 K HN -0.378 7.706 8.250 -0.277 0.000 0.439 60 G N -1.799 106.724 108.800 -0.461 0.000 2.491 60 G HA2 -0.338 nan 3.960 nan 0.000 0.218 60 G HA3 -0.338 nan 3.960 nan 0.000 0.218 60 G C 1.286 175.881 174.900 -0.510 0.000 1.180 60 G CA 2.577 47.176 45.100 -0.835 0.000 0.774 60 G HN 0.132 8.075 8.290 -0.475 0.062 0.562 61 V N -2.550 117.109 119.914 -0.425 0.000 2.719 61 V HA -0.108 nan 4.120 nan 0.000 0.252 61 V C 1.028 177.060 176.094 -0.103 0.000 1.065 61 V CA 1.793 63.974 62.300 -0.198 0.000 1.086 61 V CB -0.935 30.815 31.823 -0.121 0.000 0.700 61 V HN -0.279 7.633 8.190 -0.463 0.000 0.467 62 E N -1.704 118.436 120.200 -0.100 0.000 2.208 62 E HA -0.175 nan 4.350 nan 0.000 0.193 62 E C 1.732 178.310 176.600 -0.038 0.000 0.988 62 E CA 2.239 58.606 56.400 -0.055 0.000 0.828 62 E CB 0.263 29.929 29.700 -0.057 0.000 0.763 62 E HN -0.377 7.822 8.360 -0.141 0.076 0.478 63 E N -3.203 116.972 120.200 -0.042 0.000 2.364 63 E HA 0.028 nan 4.350 nan 0.000 0.196 63 E C 0.330 176.946 176.600 0.026 0.000 0.990 63 E CA 0.225 56.623 56.400 -0.003 0.000 0.886 63 E CB 0.540 30.248 29.700 0.012 0.000 0.866 63 E HN -0.263 8.030 8.360 -0.079 0.020 0.493 64 A N 0.298 123.133 122.820 0.025 0.000 2.267 64 A HA 0.024 nan 4.320 nan 0.000 0.271 64 A C -0.340 177.303 177.584 0.097 0.000 1.131 64 A CA -0.394 51.690 52.037 0.079 0.000 0.818 64 A CB 0.768 19.828 19.000 0.099 0.000 1.118 64 A HN -0.368 7.771 8.150 -0.018 0.000 0.501 65 E N -2.314 117.987 120.200 0.169 0.000 2.364 65 E HA 0.017 nan 4.350 nan 0.000 0.196 65 E C -0.697 175.989 176.600 0.144 0.000 0.990 65 E CA 0.984 57.498 56.400 0.190 0.000 0.886 65 E CB 1.419 31.349 29.700 0.383 0.000 0.866 65 E HN 0.160 8.530 8.360 0.205 0.113 0.493 66 A N -2.199 120.743 122.820 0.203 0.000 2.572 66 A HA 0.473 nan 4.320 nan 0.000 0.295 66 A C -2.402 175.294 177.584 0.187 0.000 1.072 66 A CA -0.717 51.447 52.037 0.210 0.000 0.691 66 A CB 3.898 23.040 19.000 0.236 0.000 1.291 66 A HN -0.667 7.617 8.150 0.223 0.000 0.404 67 V N 0.495 120.521 119.914 0.187 0.000 2.435 67 V HA 0.596 nan 4.120 nan 0.000 0.290 67 V C -1.060 175.130 176.094 0.160 0.000 1.030 67 V CA -1.046 61.314 62.300 0.100 0.000 0.881 67 V CB 1.467 33.273 31.823 -0.028 0.000 0.983 67 V HN 0.082 8.423 8.190 0.252 0.000 0.445 68 L N 6.446 127.731 121.223 0.103 0.000 2.275 68 L HA 0.723 nan 4.340 nan 0.000 0.288 68 L C -1.896 174.998 176.870 0.039 0.000 1.046 68 L CA -0.712 54.180 54.840 0.087 0.000 0.805 68 L CB 1.560 43.634 42.059 0.025 0.000 1.193 68 L HN 0.055 8.337 8.230 0.086 0.000 0.426 69 L N 4.687 125.926 121.223 0.026 0.000 2.365 69 L HA 0.712 nan 4.340 nan 0.000 0.273 69 L C -1.681 175.200 176.870 0.019 0.000 1.000 69 L CA -1.771 53.056 54.840 -0.020 0.000 0.819 69 L CB 3.092 45.104 42.059 -0.078 0.000 1.284 69 L HN 0.184 8.451 8.230 0.061 0.000 0.418 70 G N 4.163 112.993 108.800 0.050 0.000 3.434 70 G HA2 0.412 nan 3.960 nan 0.000 0.192 70 G HA3 0.412 nan 3.960 nan 0.000 0.192 70 G C -1.645 173.306 174.900 0.084 0.000 1.704 70 G CA -0.578 44.560 45.100 0.064 0.000 0.936 70 G HN 0.440 8.770 8.290 0.065 0.000 0.623 71 S N 0.037 115.811 115.700 0.124 0.000 2.536 71 S HA 0.417 nan 4.470 nan 0.000 0.287 71 S C -1.488 173.186 174.600 0.123 0.000 1.101 71 S CA -0.893 57.385 58.200 0.130 0.000 0.950 71 S CB 2.995 66.300 63.200 0.175 0.000 1.056 71 S HN -0.484 7.905 8.310 0.132 0.000 0.481 72 V N -2.898 117.070 119.914 0.090 0.000 3.096 72 V HA 0.834 nan 4.120 nan 0.000 0.319 72 V C -0.652 175.462 176.094 0.034 0.000 1.103 72 V CA -3.397 58.916 62.300 0.021 0.000 1.016 72 V CB 2.246 34.014 31.823 -0.092 0.000 1.090 72 V HN 0.315 8.558 8.190 0.087 0.000 0.449 73 G N 1.310 110.134 108.800 0.040 0.000 2.535 73 G HA2 -0.043 nan 3.960 nan 0.000 0.662 73 G HA3 -0.043 nan 3.960 nan 0.000 0.662 73 G C -2.031 173.032 174.900 0.271 0.000 1.417 73 G CA 0.204 45.382 45.100 0.130 0.000 0.866 73 G HN 0.200 8.772 8.290 -0.007 -0.287 0.647 74 G N -0.112 108.925 108.800 0.395 0.000 2.498 74 G HA2 0.326 nan 3.960 nan 0.000 0.301 74 G HA3 0.326 nan 3.960 nan 0.000 0.301 74 G C -2.304 172.699 174.900 0.171 0.000 1.577 74 G CA -0.546 44.759 45.100 0.341 0.000 0.868 74 G HN -0.132 8.384 8.290 0.377 0.000 0.599 75 P HA -0.194 nan 4.420 nan 0.000 0.218 75 P C 1.195 178.392 177.300 -0.171 0.000 1.149 75 P CA 1.263 64.327 63.100 -0.060 0.000 0.817 75 P CB 0.552 32.212 31.700 -0.068 0.000 0.785 76 K N -1.721 118.415 120.400 -0.441 0.000 2.173 76 K HA -0.225 nan 4.320 nan 0.000 0.207 76 K C 0.772 176.950 176.600 -0.703 0.000 1.046 76 K CA 2.601 58.458 56.287 -0.717 0.000 0.929 76 K CB -0.311 31.438 32.500 -1.251 0.000 0.720 76 K HN 0.174 8.121 8.250 -0.450 0.034 0.453 77 W N -5.279 116.015 121.300 -0.009 0.000 3.114 77 W HA 0.206 nan 4.660 nan 0.000 0.279 77 W C 1.150 177.661 176.519 -0.012 0.000 1.277 77 W CA 0.455 57.793 57.345 -0.011 0.000 1.630 77 W CB 0.370 29.821 29.460 -0.015 0.000 1.087 77 W HN -0.470 7.524 8.180 -0.243 0.040 0.637 78 D N 0.859 121.320 120.400 0.102 0.000 2.182 78 D HA -0.295 nan 4.640 nan 0.000 0.201 78 D C 1.644 177.968 176.300 0.039 0.000 0.986 78 D CA 3.150 57.190 54.000 0.067 0.000 0.847 78 D CB -0.572 40.247 40.800 0.033 0.000 0.942 78 D HN 0.106 8.384 8.370 0.056 0.125 0.467 79 Q N -1.790 118.018 119.800 0.014 0.000 2.096 79 Q HA -0.286 nan 4.340 nan 0.000 0.204 79 Q C 0.791 176.803 176.000 0.022 0.000 0.982 79 Q CA 1.537 57.343 55.803 0.004 0.000 0.850 79 Q CB 0.196 28.922 28.738 -0.021 0.000 0.901 79 Q HN 0.150 8.375 8.270 -0.006 0.041 0.422 80 N N 0.071 118.799 118.700 0.046 0.000 2.476 80 N HA 0.276 nan 4.740 nan 0.000 0.287 80 N C -1.677 173.864 175.510 0.051 0.000 1.262 80 N CA -1.936 51.144 53.050 0.050 0.000 0.980 80 N CB -0.669 37.861 38.487 0.073 0.000 1.163 80 N HN -0.618 7.767 8.380 0.068 0.036 0.592 81 P HA 0.037 nan 4.420 nan 0.000 0.285 81 P C -0.466 176.851 177.300 0.028 0.000 1.372 81 P CA 0.560 63.678 63.100 0.030 0.000 0.764 81 P CB 0.447 32.163 31.700 0.026 0.000 1.744 82 R N -3.581 116.932 120.500 0.021 0.000 2.306 82 R HA 0.115 nan 4.340 nan 0.000 0.183 82 R C 1.860 178.166 176.300 0.011 0.000 0.937 82 R CA 1.401 57.510 56.100 0.015 0.000 1.118 82 R CB 1.009 31.316 30.300 0.010 0.000 1.224 82 R HN -0.009 8.274 8.270 0.021 0.000 0.597 83 E N -0.197 120.010 120.200 0.013 0.000 2.330 83 E HA -0.077 nan 4.350 nan 0.000 0.210 83 E C -0.728 175.878 176.600 0.009 0.000 1.256 83 E CA 0.299 56.705 56.400 0.010 0.000 1.346 83 E CB -1.369 28.341 29.700 0.018 0.000 1.308 83 E HN 0.212 8.581 8.360 0.016 0.000 0.441 84 L N -1.644 119.585 121.223 0.009 0.000 3.447 84 L HA 0.130 nan 4.340 nan 0.000 0.353 84 L C -1.524 175.357 176.870 0.019 0.000 1.338 84 L CA -0.237 54.611 54.840 0.013 0.000 0.899 84 L CB 0.619 42.702 42.059 0.040 0.000 1.332 84 L HN -0.358 7.790 8.230 0.011 0.088 0.608 85 R N -0.138 120.356 120.500 -0.011 0.000 2.744 85 R HA 0.479 nan 4.340 nan 0.000 0.279 85 R C -2.390 173.858 176.300 -0.087 0.000 0.977 85 R CA -3.298 52.811 56.100 0.014 0.000 0.906 85 R CB 3.108 33.437 30.300 0.047 0.000 1.197 85 R HN -0.955 7.295 8.270 -0.032 0.000 0.463 86 P HA -0.133 nan 4.420 nan 0.000 0.225 86 P C -0.201 176.960 177.300 -0.231 0.000 1.148 86 P CA 2.335 65.275 63.100 -0.266 0.000 0.779 86 P CB 0.175 31.726 31.700 -0.247 0.000 0.780 87 E N -4.621 115.504 120.200 -0.124 0.000 2.385 87 E HA -0.085 nan 4.350 nan 0.000 0.194 87 E C 1.710 178.245 176.600 -0.107 0.000 1.013 87 E CA 2.343 58.681 56.400 -0.104 0.000 0.866 87 E CB -0.671 29.002 29.700 -0.045 0.000 0.832 87 E HN 0.073 8.344 8.360 -0.074 0.045 0.500 88 K N 0.574 120.914 120.400 -0.100 0.000 2.147 88 K HA -0.185 nan 4.320 nan 0.000 0.205 88 K C 1.811 178.345 176.600 -0.110 0.000 1.049 88 K CA 2.932 59.175 56.287 -0.074 0.000 0.936 88 K CB -0.136 32.337 32.500 -0.047 0.000 0.722 88 K HN -0.190 8.001 8.250 -0.099 0.000 0.446 89 G N -2.929 105.743 108.800 -0.214 0.000 2.422 89 G HA2 -0.161 nan 3.960 nan 0.000 0.218 89 G HA3 -0.161 nan 3.960 nan 0.000 0.218 89 G C 1.111 175.863 174.900 -0.247 0.000 1.140 89 G CA 1.665 46.580 45.100 -0.309 0.000 0.775 89 G HN -0.423 7.683 8.290 -0.257 0.030 0.545 90 L N 0.212 121.336 121.223 -0.165 0.000 2.275 90 L HA -0.251 nan 4.340 nan 0.000 0.215 90 L C 1.779 178.609 176.870 -0.068 0.000 1.119 90 L CA 2.064 56.882 54.840 -0.037 0.000 0.790 90 L CB -0.117 41.928 42.059 -0.024 0.000 0.919 90 L HN -0.536 7.445 8.230 -0.205 0.126 0.443 91 L N -2.390 118.788 121.223 -0.076 0.000 2.298 91 L HA -0.171 nan 4.340 nan 0.000 0.209 91 L C 1.720 178.546 176.870 -0.074 0.000 1.084 91 L CA 2.164 56.970 54.840 -0.057 0.000 0.816 91 L CB -0.493 41.550 42.059 -0.027 0.000 0.967 91 L HN -0.339 7.707 8.230 -0.080 0.136 0.460 92 S N 1.369 117.014 115.700 -0.091 0.000 2.368 92 S HA -0.325 nan 4.470 nan 0.000 0.224 92 S C 2.039 176.523 174.600 -0.194 0.000 1.029 92 S CA 4.203 62.372 58.200 -0.051 0.000 0.988 92 S CB -0.016 63.236 63.200 0.087 0.000 0.838 92 S HN -0.358 7.898 8.310 -0.090 0.000 0.462 93 I N 1.050 121.289 120.570 -0.550 0.000 2.493 93 I HA -0.385 nan 4.170 nan 0.000 0.254 93 I C 0.292 176.288 176.117 -0.201 0.000 1.160 93 I CA 2.468 63.468 61.300 -0.499 0.000 1.445 93 I CB -0.074 37.529 38.000 -0.663 0.000 1.086 93 I HN 0.276 8.142 8.210 -0.573 0.000 0.433 94 R N -0.493 119.913 120.500 -0.156 0.000 2.075 94 R HA -0.411 nan 4.340 nan 0.000 0.232 94 R C 1.739 177.991 176.300 -0.080 0.000 1.126 94 R CA 3.816 59.849 56.100 -0.113 0.000 0.963 94 R CB -0.289 29.958 30.300 -0.088 0.000 0.858 94 R HN -0.740 7.373 8.270 -0.160 0.062 0.435 95 K N -1.015 119.352 120.400 -0.056 0.000 2.001 95 K HA -0.292 nan 4.320 nan 0.000 0.208 95 K C 2.532 179.128 176.600 -0.007 0.000 1.048 95 K CA 2.801 59.070 56.287 -0.030 0.000 0.932 95 K CB -0.469 32.022 32.500 -0.014 0.000 0.715 95 K HN -0.018 8.017 8.250 -0.059 0.180 0.437 96 Q N -0.172 119.645 119.800 0.028 0.000 2.112 96 Q HA -0.253 nan 4.340 nan 0.000 0.206 96 Q C 1.936 177.946 176.000 0.016 0.000 0.987 96 Q CA 2.966 58.802 55.803 0.055 0.000 0.858 96 Q CB 0.070 28.899 28.738 0.152 0.000 0.905 96 Q HN -0.403 7.890 8.270 0.038 0.000 0.420 97 L N -2.620 118.593 121.223 -0.018 0.000 2.627 97 L HA 0.107 nan 4.340 nan 0.000 0.232 97 L C -1.331 175.494 176.870 -0.076 0.000 1.150 97 L CA -0.353 54.456 54.840 -0.051 0.000 0.917 97 L CB -0.650 41.359 42.059 -0.083 0.000 1.104 97 L HN -0.601 7.611 8.230 -0.030 0.000 0.445 98 D N -1.808 118.562 120.400 -0.050 0.000 2.755 98 D HA -0.508 nan 4.640 nan 0.000 0.227 98 D C -0.912 175.319 176.300 -0.116 0.000 1.211 98 D CA 1.733 55.713 54.000 -0.034 0.000 0.663 98 D CB -2.534 38.275 40.800 0.014 0.000 0.983 98 D HN -0.067 8.090 8.370 -0.030 0.195 0.407 99 L N -2.131 118.999 121.223 -0.156 0.000 2.290 99 L HA 0.171 nan 4.340 nan 0.000 0.284 99 L C -0.156 176.611 176.870 -0.172 0.000 1.078 99 L CA 0.068 54.742 54.840 -0.276 0.000 0.815 99 L CB 0.477 42.399 42.059 -0.229 0.000 1.162 99 L HN -0.689 7.474 8.230 -0.112 0.000 0.435 100 F N -1.754 118.161 119.950 -0.059 0.000 2.781 100 F HA 0.368 nan 4.527 nan 0.000 0.322 100 F C -1.910 173.878 175.800 -0.020 0.000 1.108 100 F CA -2.170 55.812 58.000 -0.031 0.000 1.179 100 F CB 1.013 40.000 39.000 -0.022 0.000 1.072 100 F HN 0.659 8.441 8.300 -0.864 0.000 0.545 101 A N -0.524 122.329 122.820 0.056 0.000 2.455 101 A HA 0.340 nan 4.320 nan 0.000 0.300 101 A C -2.911 174.651 177.584 -0.037 0.000 1.040 101 A CA -0.782 51.304 52.037 0.082 0.000 0.697 101 A CB 2.607 21.649 19.000 0.070 0.000 1.265 101 A HN -0.679 7.383 8.150 -0.147 0.000 0.407 102 N N 1.351 120.043 118.700 -0.014 0.000 2.372 102 N HA 0.791 nan 4.740 nan 0.000 0.285 102 N C -2.069 173.409 175.510 -0.054 0.000 1.008 102 N CA -1.160 51.859 53.050 -0.053 0.000 0.880 102 N CB 3.165 41.648 38.487 -0.007 0.000 1.239 102 N HN 0.174 8.572 8.380 0.031 0.000 0.484 103 L N 5.047 126.215 121.223 -0.092 0.000 2.296 103 L HA 0.484 nan 4.340 nan 0.000 0.286 103 L C -1.680 175.175 176.870 -0.024 0.000 1.023 103 L CA -0.511 54.288 54.840 -0.068 0.000 0.812 103 L CB 1.384 43.358 42.059 -0.142 0.000 1.223 103 L HN 0.869 9.020 8.230 -0.131 0.000 0.421 104 R N 3.049 123.552 120.500 0.005 0.000 2.422 104 R HA 0.556 nan 4.340 nan 0.000 0.307 104 R C -2.901 173.395 176.300 -0.006 0.000 1.004 104 R CA -3.374 52.731 56.100 0.008 0.000 0.882 104 R CB 1.679 31.993 30.300 0.024 0.000 1.164 104 R HN -0.002 8.278 8.270 0.016 0.000 0.489 105 P HA 0.610 nan 4.420 nan 0.000 0.286 105 P C -1.368 175.801 177.300 -0.218 0.000 1.261 105 P CA -1.402 61.625 63.100 -0.122 0.000 0.821 105 P CB 0.936 32.589 31.700 -0.079 0.000 1.013 106 V N 2.186 121.814 119.914 -0.476 0.000 2.531 106 V HA 0.227 nan 4.120 nan 0.000 0.301 106 V C -1.657 174.107 176.094 -0.550 0.000 1.034 106 V CA -0.818 61.164 62.300 -0.529 0.000 0.865 106 V CB 2.531 33.887 31.823 -0.778 0.000 0.995 106 V HN 0.217 8.035 8.190 -0.619 0.000 0.424 107 K N 5.289 125.439 120.400 -0.417 0.000 2.427 107 K HA 0.550 nan 4.320 nan 0.000 0.252 107 K C -1.667 174.673 176.600 -0.434 0.000 0.931 107 K CA -1.037 54.963 56.287 -0.478 0.000 0.793 107 K CB 3.727 35.783 32.500 -0.739 0.000 1.211 107 K HN 0.139 8.187 8.250 -0.337 0.000 0.426 108 V N 5.935 125.682 119.914 -0.278 0.000 2.357 108 V HA 0.228 nan 4.120 nan 0.000 0.284 108 V C -0.829 175.196 176.094 -0.114 0.000 1.018 108 V CA -1.025 61.203 62.300 -0.119 0.000 0.841 108 V CB 1.124 32.942 31.823 -0.008 0.000 0.991 108 V HN -0.006 8.046 8.190 -0.230 0.000 0.437 109 F N 8.226 128.181 119.950 0.008 0.000 2.462 109 F HA -0.001 nan 4.527 nan 0.000 0.360 109 F C 0.903 176.713 175.800 0.016 0.000 1.134 109 F CA -0.539 57.468 58.000 0.011 0.000 1.148 109 F CB -0.300 38.709 39.000 0.014 0.000 1.147 109 F HN 0.328 8.695 8.300 0.112 0.000 0.550 110 E N 5.857 126.158 120.200 0.168 0.000 2.257 110 E HA -0.580 nan 4.350 nan 0.000 0.229 110 E C 1.718 178.381 176.600 0.104 0.000 1.089 110 E CA 3.344 59.808 56.400 0.108 0.000 0.947 110 E CB -1.556 28.195 29.700 0.086 0.000 0.808 110 E HN 0.468 8.910 8.360 0.136 0.000 0.471 111 S N -1.194 114.575 115.700 0.115 0.000 2.423 111 S HA -0.158 nan 4.470 nan 0.000 0.231 111 S C 0.776 175.419 174.600 0.071 0.000 1.014 111 S CA 2.524 60.769 58.200 0.075 0.000 0.965 111 S CB -0.297 62.935 63.200 0.053 0.000 0.785 111 S HN -0.017 8.354 8.310 0.155 0.032 0.495 112 L N -0.566 120.718 121.223 0.102 0.000 2.741 112 L HA 0.185 nan 4.340 nan 0.000 0.237 112 L C 0.608 177.529 176.870 0.085 0.000 1.178 112 L CA -0.761 54.131 54.840 0.087 0.000 0.973 112 L CB -0.848 41.274 42.059 0.106 0.000 1.255 112 L HN 0.198 8.387 8.230 0.147 0.129 0.498 113 S N 3.054 118.803 115.700 0.080 0.000 2.369 113 S HA -0.466 nan 4.470 nan 0.000 0.225 113 S C 1.165 175.803 174.600 0.063 0.000 1.043 113 S CA 4.250 62.492 58.200 0.071 0.000 1.074 113 S CB -0.236 63.002 63.200 0.063 0.000 0.962 113 S HN -0.144 8.065 8.310 0.082 0.151 0.433 114 D N 0.838 121.270 120.400 0.053 0.000 2.411 114 D HA -0.177 nan 4.640 nan 0.000 0.226 114 D C -0.002 176.324 176.300 0.042 0.000 0.988 114 D CA 1.981 56.008 54.000 0.045 0.000 0.938 114 D CB -1.060 39.762 40.800 0.037 0.000 0.883 114 D HN 0.146 8.547 8.370 0.051 0.000 0.525 115 A N -1.944 120.903 122.820 0.046 0.000 2.303 115 A HA 0.099 nan 4.320 nan 0.000 0.217 115 A C 0.234 177.844 177.584 0.043 0.000 1.205 115 A CA -0.384 51.677 52.037 0.040 0.000 0.875 115 A CB 0.616 19.638 19.000 0.038 0.000 0.910 115 A HN -0.520 7.589 8.150 0.053 0.073 0.501 116 S N 1.478 117.210 115.700 0.052 0.000 2.585 116 S HA 0.150 nan 4.470 nan 0.000 0.273 116 S C -0.868 173.761 174.600 0.048 0.000 1.339 116 S CA -1.135 57.098 58.200 0.056 0.000 1.028 116 S CB 0.552 63.794 63.200 0.070 0.000 0.906 116 S HN -0.156 8.023 8.310 0.057 0.165 0.528 117 P HA 0.077 nan 4.420 nan 0.000 0.222 117 P C -0.970 176.345 177.300 0.024 0.000 1.153 117 P CA 0.619 63.735 63.100 0.028 0.000 0.798 117 P CB 0.389 32.101 31.700 0.020 0.000 0.796 118 L N -1.036 120.212 121.223 0.042 0.000 2.399 118 L HA 0.048 nan 4.340 nan 0.000 0.266 118 L C -0.656 176.279 176.870 0.108 0.000 1.114 118 L CA -0.839 54.026 54.840 0.042 0.000 0.804 118 L CB 0.596 42.704 42.059 0.081 0.000 1.146 118 L HN -0.742 7.523 8.230 0.058 0.000 0.451 119 K N 0.092 120.587 120.400 0.159 0.000 2.380 119 K HA -0.071 nan 4.320 nan 0.000 0.267 119 K C 1.380 178.106 176.600 0.210 0.000 0.990 119 K CA 0.039 56.441 56.287 0.191 0.000 0.946 119 K CB 0.520 33.173 32.500 0.256 0.000 0.937 119 K HN 0.041 8.361 8.250 0.116 0.000 0.491 120 K N 4.675 125.150 120.400 0.125 0.000 2.032 120 K HA -0.486 nan 4.320 nan 0.000 0.218 120 K C 2.005 178.646 176.600 0.069 0.000 1.054 120 K CA 3.936 60.276 56.287 0.089 0.000 0.941 120 K CB -0.161 32.373 32.500 0.056 0.000 0.720 120 K HN 0.695 9.006 8.250 0.101 0.000 0.449 121 E N -3.573 116.636 120.200 0.015 0.000 2.393 121 E HA -0.239 nan 4.350 nan 0.000 0.201 121 E C 1.074 177.529 176.600 -0.242 0.000 1.025 121 E CA 2.280 58.606 56.400 -0.123 0.000 0.856 121 E CB -1.001 28.565 29.700 -0.224 0.000 0.771 121 E HN 0.369 8.754 8.360 0.041 0.000 0.526 122 Y N -3.413 116.908 120.300 0.035 0.000 2.397 122 Y HA -0.139 nan 4.550 nan 0.000 0.292 122 Y C 0.810 176.746 175.900 0.059 0.000 1.115 122 Y CA 2.817 60.944 58.100 0.045 0.000 1.208 122 Y CB 1.043 39.532 38.460 0.048 0.000 1.046 122 Y HN -0.253 8.019 8.280 0.247 0.156 0.552 123 I N -6.583 114.092 120.570 0.176 0.000 3.427 123 I HA -0.021 nan 4.170 nan 0.000 0.288 123 I C -0.416 175.750 176.117 0.081 0.000 1.249 123 I CA 0.128 61.508 61.300 0.133 0.000 1.421 123 I CB 0.226 38.296 38.000 0.116 0.000 1.086 123 I HN -0.703 7.611 8.210 0.174 0.000 0.448 124 D N 4.070 124.500 120.400 0.050 0.000 2.533 124 D HA -0.246 nan 4.640 nan 0.000 0.236 124 D C -0.635 175.682 176.300 0.028 0.000 1.137 124 D CA 2.942 56.958 54.000 0.027 0.000 0.867 124 D CB -0.285 40.517 40.800 0.003 0.000 1.170 124 D HN -0.714 7.681 8.370 0.040 0.000 0.474 125 N N -4.711 114.002 118.700 0.020 0.000 2.828 125 N HA -0.470 nan 4.740 nan 0.000 0.248 125 N C -0.771 174.762 175.510 0.038 0.000 1.044 125 N CA 0.623 53.684 53.050 0.018 0.000 0.851 125 N CB -0.197 38.301 38.487 0.019 0.000 1.136 125 N HN 0.087 8.477 8.380 0.016 0.000 0.572 126 V N 1.122 121.069 119.914 0.056 0.000 2.475 126 V HA -0.242 nan 4.120 nan 0.000 0.292 126 V C -1.120 174.973 176.094 -0.000 0.000 1.003 126 V CA 2.133 64.502 62.300 0.115 0.000 1.120 126 V CB -0.754 31.146 31.823 0.128 0.000 0.937 126 V HN -0.493 7.670 8.190 0.049 0.057 0.476 127 D N 8.081 128.517 120.400 0.061 0.000 2.478 127 D HA 0.443 nan 4.640 nan 0.000 0.240 127 D C -2.321 174.008 176.300 0.049 0.000 1.364 127 D CA -0.607 53.352 54.000 -0.069 0.000 0.987 127 D CB 2.000 42.766 40.800 -0.055 0.000 1.328 127 D HN -0.234 8.247 8.370 0.185 0.000 0.584 128 F N 0.140 120.099 119.950 0.015 0.000 2.664 128 F HA 0.932 nan 4.527 nan 0.000 0.317 128 F C -2.498 173.306 175.800 0.007 0.000 1.108 128 F CA -2.263 55.759 58.000 0.036 0.000 0.957 128 F CB 3.187 42.235 39.000 0.080 0.000 1.365 128 F HN 0.174 8.122 8.300 -0.586 0.000 0.475 129 V N -0.687 119.357 119.914 0.216 0.000 2.482 129 V HA 0.526 nan 4.120 nan 0.000 0.295 129 V C -1.449 174.728 176.094 0.139 0.000 1.026 129 V CA -0.839 61.527 62.300 0.110 0.000 0.856 129 V CB 2.245 34.107 31.823 0.064 0.000 1.001 129 V HN 0.814 9.069 8.190 0.255 0.088 0.424 130 I N 8.102 128.756 120.570 0.139 0.000 2.312 130 I HA 0.382 nan 4.170 nan 0.000 0.291 130 I C -1.358 174.782 176.117 0.040 0.000 1.031 130 I CA -0.060 61.289 61.300 0.082 0.000 1.293 130 I CB 0.807 38.865 38.000 0.096 0.000 1.403 130 I HN 0.314 8.605 8.210 0.135 0.000 0.484 131 V N 6.710 126.634 119.914 0.017 0.000 2.350 131 V HA 0.614 nan 4.120 nan 0.000 0.276 131 V C -2.446 173.677 176.094 0.047 0.000 1.028 131 V CA -3.021 59.285 62.300 0.011 0.000 0.860 131 V CB 1.094 32.905 31.823 -0.021 0.000 0.990 131 V HN 0.858 9.052 8.190 0.007 0.000 0.453 132 R N 7.445 127.981 120.500 0.060 0.000 2.312 132 R HA 0.493 nan 4.340 nan 0.000 0.311 132 R C -0.853 175.526 176.300 0.131 0.000 1.004 132 R CA -1.462 54.694 56.100 0.093 0.000 0.902 132 R CB 2.729 33.080 30.300 0.086 0.000 1.073 132 R HN 0.569 8.864 8.270 0.042 0.000 0.457 133 E N 5.162 125.471 120.200 0.182 0.000 2.418 133 E HA -0.127 nan 4.350 nan 0.000 0.261 133 E C -1.130 175.603 176.600 0.223 0.000 1.070 133 E CA 1.416 57.948 56.400 0.221 0.000 0.931 133 E CB 0.810 30.679 29.700 0.280 0.000 0.954 133 E HN 0.020 8.490 8.360 0.184 0.000 0.439 134 L N 2.546 123.910 121.223 0.234 0.000 2.803 134 L HA 0.309 nan 4.340 nan 0.000 0.246 134 L C 0.455 177.484 176.870 0.266 0.000 1.100 134 L CA 0.679 55.654 54.840 0.225 0.000 0.919 134 L CB 1.518 43.665 42.059 0.147 0.000 1.285 134 L HN 0.029 8.406 8.230 0.245 0.000 0.522 135 T N -8.325 106.365 114.554 0.225 0.000 3.040 135 T HA 0.240 nan 4.350 nan 0.000 0.266 135 T C 0.205 175.008 174.700 0.171 0.000 1.005 135 T CA -0.456 61.671 62.100 0.045 0.000 0.906 135 T CB 0.787 69.639 68.868 -0.025 0.000 1.082 135 T HN -0.184 8.270 8.240 0.238 -0.071 0.531 136 G N 0.786 109.841 108.800 0.424 0.000 3.251 136 G HA2 0.565 nan 3.960 nan 0.000 0.248 136 G HA3 0.565 nan 3.960 nan 0.000 0.248 136 G C -1.354 173.682 174.900 0.228 0.000 1.320 136 G CA -1.646 43.704 45.100 0.418 0.000 0.982 136 G HN -0.571 8.237 8.290 0.442 -0.253 0.575 137 G N -0.972 107.680 108.800 -0.247 0.000 2.698 137 G HA2 -0.402 nan 3.960 nan 0.000 0.233 137 G HA3 -0.402 nan 3.960 nan 0.000 0.233 137 G C 0.305 175.022 174.900 -0.304 0.000 1.352 137 G CA -0.107 44.661 45.100 -0.554 0.000 0.879 137 G HN -0.597 7.508 8.290 -0.309 0.000 0.567 138 I N 1.445 121.780 120.570 -0.393 0.000 2.530 138 I HA -0.416 nan 4.170 nan 0.000 0.257 138 I C 0.363 176.354 176.117 -0.209 0.000 1.179 138 I CA 2.529 63.654 61.300 -0.291 0.000 1.440 138 I CB 0.118 37.922 38.000 -0.326 0.000 1.087 138 I HN -0.253 7.894 8.210 -0.496 -0.234 0.440 139 Y N -3.943 116.139 120.300 -0.364 0.000 2.293 139 Y HA -0.282 nan 4.550 nan 0.000 0.291 139 Y C 1.510 176.941 175.900 -0.782 0.000 1.137 139 Y CA 1.256 58.979 58.100 -0.629 0.000 1.202 139 Y CB -0.281 37.623 38.460 -0.927 0.000 0.990 139 Y HN -0.333 7.654 8.280 -0.440 0.029 0.537 140 F N -3.538 116.469 119.950 0.095 0.000 2.740 140 F HA 0.175 nan 4.527 nan 0.000 0.304 140 F C 1.325 177.123 175.800 -0.002 0.000 1.098 140 F CA 0.287 58.312 58.000 0.042 0.000 1.258 140 F CB 1.403 40.436 39.000 0.054 0.000 1.061 140 F HN -0.346 7.855 8.300 -0.109 0.033 0.598 141 G N 0.309 109.157 108.800 0.080 0.000 2.664 141 G HA2 -0.167 nan 3.960 nan 0.000 0.242 141 G HA3 -0.167 nan 3.960 nan 0.000 0.242 141 G C -2.115 172.787 174.900 0.003 0.000 1.225 141 G CA 0.246 45.356 45.100 0.017 0.000 0.849 141 G HN -0.088 8.215 8.290 0.022 0.000 0.581 142 E N -1.492 118.713 120.200 0.009 0.000 2.412 142 E HA 0.317 nan 4.350 nan 0.000 0.279 142 E C -1.947 174.677 176.600 0.039 0.000 0.984 142 E CA -3.167 53.243 56.400 0.017 0.000 0.788 142 E CB 2.861 32.576 29.700 0.026 0.000 1.277 142 E HN -0.056 8.309 8.360 0.009 0.000 0.455 143 P HA 0.160 nan 4.420 nan 0.000 0.272 143 P C -1.806 175.510 177.300 0.027 0.000 1.240 143 P CA -0.094 63.074 63.100 0.113 0.000 0.791 143 P CB 0.733 32.581 31.700 0.246 0.000 0.978 144 R N -3.132 117.256 120.500 -0.187 0.000 2.739 144 R HA 0.739 nan 4.340 nan 0.000 0.271 144 R C -1.493 174.192 176.300 -1.026 0.000 1.010 144 R CA -1.595 54.203 56.100 -0.502 0.000 0.897 144 R CB 3.815 33.950 30.300 -0.274 0.000 1.236 144 R HN 0.196 8.384 8.270 -0.136 0.000 0.466 145 G N -1.752 106.162 108.800 -1.476 0.000 2.340 145 G HA2 0.065 nan 3.960 nan 0.000 0.299 145 G HA3 0.065 nan 3.960 nan 0.000 0.299 145 G C -3.072 171.157 174.900 -1.118 0.000 1.291 145 G CA 0.459 44.647 45.100 -1.520 0.000 0.841 145 G HN -0.106 7.464 8.290 -1.201 0.000 0.500 146 M N -1.434 117.804 119.600 -0.603 0.000 2.323 146 M HA 0.526 nan 4.480 nan 0.000 0.278 146 M C -2.185 174.167 176.300 0.087 0.000 1.069 146 M CA 0.121 55.344 55.300 -0.129 0.000 0.950 146 M CB 2.629 35.155 32.600 -0.123 0.000 1.879 146 M HN -0.107 7.899 8.290 -0.473 0.000 0.491 147 S N 5.559 121.383 115.700 0.207 0.000 2.855 147 S HA 0.470 nan 4.470 nan 0.000 0.308 147 S C -0.541 174.116 174.600 0.095 0.000 1.077 147 S CA -0.607 57.695 58.200 0.169 0.000 0.896 147 S CB 1.180 64.497 63.200 0.196 0.000 1.339 147 S HN 0.473 8.824 8.310 0.203 0.081 0.602 148 E N 0.697 120.938 120.200 0.068 0.000 2.112 148 E HA -0.043 nan 4.350 nan 0.000 0.190 148 E C 0.302 176.932 176.600 0.049 0.000 0.979 148 E CA 1.221 57.648 56.400 0.045 0.000 0.814 148 E CB -0.136 29.583 29.700 0.032 0.000 0.762 148 E HN 0.328 8.728 8.360 0.066 0.000 0.460 149 A N -0.481 122.372 122.820 0.055 0.000 1.930 149 A HA -0.094 nan 4.320 nan 0.000 0.215 149 A C -0.267 177.356 177.584 0.065 0.000 1.176 149 A CA 1.782 53.847 52.037 0.046 0.000 0.632 149 A CB 0.115 19.131 19.000 0.026 0.000 0.819 149 A HN -0.044 8.140 8.150 0.059 0.001 0.445 150 E N -5.182 115.091 120.200 0.121 0.000 2.437 150 E HA 0.172 nan 4.350 nan 0.000 0.280 150 E C -2.537 174.258 176.600 0.325 0.000 1.044 150 E CA -1.304 55.190 56.400 0.157 0.000 0.826 150 E CB 2.341 32.092 29.700 0.084 0.000 1.358 150 E HN -0.286 8.169 8.360 0.158 0.000 0.459 151 A N -0.256 122.772 122.820 0.347 0.000 2.449 151 A HA 0.759 nan 4.320 nan 0.000 0.302 151 A C -2.068 175.808 177.584 0.485 0.000 1.048 151 A CA -0.814 51.431 52.037 0.346 0.000 0.708 151 A CB 1.694 20.759 19.000 0.109 0.000 1.274 151 A HN 0.294 8.596 8.150 0.253 0.000 0.410 152 W N 0.593 121.884 121.300 -0.016 0.000 3.062 152 W HA 0.301 nan 4.660 nan 0.000 0.336 152 W C -2.622 173.883 176.519 -0.025 0.000 1.224 152 W CA -1.705 55.628 57.345 -0.020 0.000 1.159 152 W CB 2.019 31.467 29.460 -0.020 0.000 1.454 152 W HN 0.074 8.114 8.180 -0.233 0.000 0.569 153 N N -1.231 117.546 118.700 0.128 0.000 2.521 153 N HA 0.184 nan 4.740 nan 0.000 0.269 153 N C -1.680 173.841 175.510 0.018 0.000 1.079 153 N CA 0.378 53.424 53.050 -0.007 0.000 0.980 153 N CB 3.425 41.885 38.487 -0.045 0.000 1.667 153 N HN -0.020 8.486 8.380 0.210 0.000 0.498 154 T N 3.124 117.673 114.554 -0.008 0.000 2.929 154 T HA 0.202 nan 4.350 nan 0.000 0.284 154 T C -1.827 172.815 174.700 -0.097 0.000 1.014 154 T CA -0.584 61.503 62.100 -0.022 0.000 1.051 154 T CB 1.637 70.508 68.868 0.005 0.000 1.028 154 T HN 0.024 8.245 8.240 -0.032 0.000 0.485 155 E N 2.519 122.641 120.200 -0.131 0.000 2.155 155 E HA 0.170 nan 4.350 nan 0.000 0.264 155 E C -1.780 174.685 176.600 -0.225 0.000 0.886 155 E CA -0.868 55.392 56.400 -0.233 0.000 0.752 155 E CB 1.181 30.729 29.700 -0.253 0.000 1.133 155 E HN 0.185 8.486 8.360 -0.098 0.000 0.414 156 R N 4.263 124.592 120.500 -0.285 0.000 2.686 156 R HA 0.219 nan 4.340 nan 0.000 0.283 156 R C -2.371 173.805 176.300 -0.208 0.000 0.978 156 R CA -1.127 54.866 56.100 -0.179 0.000 0.897 156 R CB 2.321 32.565 30.300 -0.093 0.000 1.192 156 R HN 0.171 8.206 8.270 -0.392 0.000 0.457 157 Y N 2.052 122.393 120.300 0.068 0.000 2.519 157 Y HA 0.355 nan 4.550 nan 0.000 0.336 157 Y C -1.220 174.798 175.900 0.196 0.000 1.089 157 Y CA -1.131 57.075 58.100 0.176 0.000 1.025 157 Y CB 3.014 41.677 38.460 0.338 0.000 1.318 157 Y HN 0.179 8.510 8.280 0.085 0.000 0.452 158 S N 2.152 118.102 115.700 0.416 0.000 2.681 158 S HA 0.400 nan 4.470 nan 0.000 0.299 158 S C -0.052 174.770 174.600 0.369 0.000 1.113 158 S CA -1.489 56.904 58.200 0.323 0.000 1.013 158 S CB 2.165 65.470 63.200 0.176 0.000 1.076 158 S HN 0.208 8.918 8.310 0.415 -0.151 0.534 159 K N 2.347 122.961 120.400 0.357 0.000 2.032 159 K HA -0.179 nan 4.320 nan 0.000 0.209 159 K C -0.013 176.549 176.600 -0.063 0.000 1.048 159 K CA 5.089 61.412 56.287 0.060 0.000 0.927 159 K CB -1.695 30.831 32.500 0.042 0.000 0.712 159 K HN 0.496 8.997 8.250 0.419 0.000 0.441 160 P HA -0.203 nan 4.420 nan 0.000 0.214 160 P C 1.579 178.775 177.300 -0.174 0.000 1.169 160 P CA 2.991 66.033 63.100 -0.097 0.000 0.908 160 P CB -0.684 30.984 31.700 -0.053 0.000 0.791 161 E N -3.503 116.626 120.200 -0.117 0.000 2.160 161 E HA -0.245 nan 4.350 nan 0.000 0.195 161 E C 2.509 178.905 176.600 -0.341 0.000 0.991 161 E CA 3.060 59.350 56.400 -0.183 0.000 0.810 161 E CB -0.618 29.082 29.700 -0.001 0.000 0.742 161 E HN 0.591 8.937 8.360 -0.022 0.000 0.466 162 V N -0.658 119.023 119.914 -0.389 0.000 2.446 162 V HA -0.272 nan 4.120 nan 0.000 0.244 162 V C 1.848 177.621 176.094 -0.536 0.000 1.039 162 V CA 3.655 65.548 62.300 -0.678 0.000 1.045 162 V CB -0.491 30.884 31.823 -0.748 0.000 0.681 162 V HN -0.314 7.612 8.190 -0.255 0.111 0.459 163 E N -0.207 119.777 120.200 -0.360 0.000 2.110 163 E HA -0.392 nan 4.350 nan 0.000 0.193 163 E C 2.305 178.775 176.600 -0.217 0.000 0.988 163 E CA 3.826 60.081 56.400 -0.242 0.000 0.804 163 E CB -0.466 29.137 29.700 -0.161 0.000 0.745 163 E HN 0.136 8.307 8.360 -0.316 0.000 0.458 164 R N -0.989 119.322 120.500 -0.314 0.000 2.094 164 R HA -0.336 nan 4.340 nan 0.000 0.239 164 R C 2.443 178.615 176.300 -0.214 0.000 1.137 164 R CA 3.577 59.433 56.100 -0.406 0.000 0.943 164 R CB -0.427 29.203 30.300 -1.115 0.000 0.850 164 R HN 0.100 8.164 8.270 -0.344 0.000 0.433 165 V N -1.312 118.473 119.914 -0.215 0.000 2.453 165 V HA -0.227 nan 4.120 nan 0.000 0.247 165 V C 1.352 177.398 176.094 -0.080 0.000 1.048 165 V CA 3.021 65.301 62.300 -0.033 0.000 1.049 165 V CB -0.611 31.210 31.823 -0.003 0.000 0.672 165 V HN -0.706 7.288 8.190 -0.326 0.000 0.457 166 A N -0.429 122.292 122.820 -0.165 0.000 1.933 166 A HA -0.354 nan 4.320 nan 0.000 0.218 166 A C 1.955 179.560 177.584 0.036 0.000 1.175 166 A CA 3.379 55.351 52.037 -0.109 0.000 0.628 166 A CB -0.705 18.276 19.000 -0.032 0.000 0.814 166 A HN 0.151 8.145 8.150 -0.260 0.000 0.444 167 R N -2.608 117.929 120.500 0.061 0.000 2.092 167 R HA -0.287 nan 4.340 nan 0.000 0.231 167 R C 2.290 178.595 176.300 0.008 0.000 1.119 167 R CA 3.242 59.381 56.100 0.066 0.000 0.970 167 R CB -0.134 30.263 30.300 0.162 0.000 0.864 167 R HN -0.158 8.122 8.270 0.016 0.000 0.440 168 V N 0.104 120.042 119.914 0.040 0.000 2.282 168 V HA -0.415 nan 4.120 nan 0.000 0.249 168 V C 1.841 177.900 176.094 -0.058 0.000 1.057 168 V CA 4.401 66.713 62.300 0.020 0.000 1.032 168 V CB -0.971 30.877 31.823 0.040 0.000 0.645 168 V HN -0.459 7.777 8.190 0.077 0.000 0.447 169 A N -0.746 121.992 122.820 -0.137 0.000 1.969 169 A HA -0.214 nan 4.320 nan 0.000 0.218 169 A C 2.218 179.599 177.584 -0.338 0.000 1.169 169 A CA 3.096 54.984 52.037 -0.249 0.000 0.635 169 A CB -0.664 18.119 19.000 -0.361 0.000 0.810 169 A HN -0.259 7.737 8.150 -0.118 0.084 0.445 170 F N -2.061 117.704 119.950 -0.309 0.000 2.149 170 F HA -0.298 nan 4.527 nan 0.000 0.294 170 F C 2.179 177.813 175.800 -0.278 0.000 1.095 170 F CA 4.084 61.834 58.000 -0.417 0.000 1.276 170 F CB -0.240 38.151 39.000 -1.016 0.000 1.023 170 F HN -0.269 7.871 8.300 -0.267 0.000 0.480 171 E N -1.039 119.118 120.200 -0.071 0.000 2.110 171 E HA -0.405 nan 4.350 nan 0.000 0.193 171 E C 2.507 179.140 176.600 0.056 0.000 0.988 171 E CA 2.756 59.185 56.400 0.048 0.000 0.804 171 E CB -0.652 29.100 29.700 0.086 0.000 0.745 171 E HN 0.119 8.398 8.360 -0.136 0.000 0.458 172 A N -2.618 120.220 122.820 0.030 0.000 2.019 172 A HA -0.144 nan 4.320 nan 0.000 0.219 172 A C 1.540 179.150 177.584 0.043 0.000 1.164 172 A CA 2.505 54.586 52.037 0.074 0.000 0.644 172 A CB -0.622 18.399 19.000 0.034 0.000 0.805 172 A HN 0.298 8.255 8.150 -0.016 0.183 0.449 173 A N -1.854 120.963 122.820 -0.005 0.000 1.975 173 A HA -0.056 nan 4.320 nan 0.000 0.215 173 A C 2.179 179.762 177.584 -0.000 0.000 1.170 173 A CA 1.942 53.967 52.037 -0.021 0.000 0.656 173 A CB -0.180 18.789 19.000 -0.051 0.000 0.821 173 A HN -0.689 7.301 8.150 -0.030 0.142 0.449 174 R N -1.200 119.322 120.500 0.038 0.000 2.170 174 R HA -0.324 nan 4.340 nan 0.000 0.242 174 R C 1.264 177.576 176.300 0.020 0.000 1.145 174 R CA 2.764 58.892 56.100 0.047 0.000 0.984 174 R CB -0.149 30.197 30.300 0.077 0.000 0.869 174 R HN -0.013 8.199 8.270 0.049 0.088 0.455 175 K N -4.698 115.708 120.400 0.011 0.000 2.361 175 K HA -0.086 nan 4.320 nan 0.000 0.196 175 K C 0.009 176.595 176.600 -0.024 0.000 1.039 175 K CA 1.148 57.429 56.287 -0.009 0.000 1.001 175 K CB 0.528 33.013 32.500 -0.026 0.000 0.795 175 K HN -0.177 8.046 8.250 0.020 0.040 0.495 176 R N -2.052 118.431 120.500 -0.029 0.000 3.415 176 R HA 0.371 nan 4.340 nan 0.000 0.229 176 R C 0.937 177.190 176.300 -0.078 0.000 1.651 176 R CA -1.985 54.088 56.100 -0.044 0.000 0.998 176 R CB 0.882 31.161 30.300 -0.036 0.000 1.805 176 R HN -0.148 7.933 8.270 -0.027 0.173 0.534 177 R N 0.211 120.632 120.500 -0.131 0.000 2.400 177 R HA -0.191 nan 4.340 nan 0.000 0.207 177 R C -0.399 175.662 176.300 -0.398 0.000 1.192 177 R CA 0.622 56.581 56.100 -0.236 0.000 1.181 177 R CB -1.389 28.749 30.300 -0.270 0.000 0.947 177 R HN -0.106 8.264 8.270 -0.111 -0.167 0.479 178 K N -4.356 115.909 120.400 -0.225 0.000 3.148 178 K HA -0.350 nan 4.320 nan 0.000 0.267 178 K C -1.627 174.899 176.600 -0.123 0.000 0.996 178 K CA 1.028 57.243 56.287 -0.120 0.000 0.737 178 K CB -2.315 30.175 32.500 -0.017 0.000 1.308 178 K HN -0.224 7.858 8.250 -0.144 0.082 0.470 179 H N -5.298 113.793 119.070 0.034 0.000 2.966 179 H HA 0.561 nan 4.556 nan 0.000 0.347 179 H C -1.880 173.443 175.328 -0.008 0.000 1.048 179 H CA -2.007 54.055 56.048 0.025 0.000 1.295 179 H CB 2.427 32.200 29.762 0.019 0.000 1.744 179 H HN -0.715 7.602 8.280 -0.302 -0.218 0.513 180 V N 3.109 123.058 119.914 0.059 0.000 2.612 180 V HA 0.629 nan 4.120 nan 0.000 0.301 180 V C -1.315 174.753 176.094 -0.042 0.000 1.046 180 V CA -1.155 61.087 62.300 -0.097 0.000 0.946 180 V CB 1.825 33.417 31.823 -0.384 0.000 1.003 180 V HN 0.712 8.963 8.190 0.101 0.000 0.459 181 V N 6.300 126.188 119.914 -0.044 0.000 2.444 181 V HA 0.505 nan 4.120 nan 0.000 0.294 181 V C -1.755 174.285 176.094 -0.090 0.000 1.022 181 V CA -1.608 60.673 62.300 -0.031 0.000 0.850 181 V CB 2.865 34.749 31.823 0.101 0.000 0.992 181 V HN 0.270 8.430 8.190 -0.050 0.000 0.426 182 S N 6.706 122.335 115.700 -0.118 0.000 2.646 182 S HA 0.713 nan 4.470 nan 0.000 0.276 182 S C -1.755 172.889 174.600 0.074 0.000 1.222 182 S CA -1.606 56.613 58.200 0.032 0.000 1.014 182 S CB 2.000 65.288 63.200 0.146 0.000 0.991 182 S HN 0.460 8.629 8.310 -0.235 0.000 0.533 183 V N 2.901 122.877 119.914 0.103 0.000 2.487 183 V HA 0.570 nan 4.120 nan 0.000 0.298 183 V C -2.029 174.084 176.094 0.032 0.000 1.028 183 V CA -0.947 61.372 62.300 0.031 0.000 0.860 183 V CB 1.732 33.542 31.823 -0.021 0.000 0.991 183 V HN -0.202 8.091 8.190 0.172 0.000 0.427 184 D N 5.787 126.238 120.400 0.084 0.000 2.921 184 D HA 0.243 nan 4.640 nan 0.000 0.329 184 D C -2.727 173.757 176.300 0.305 0.000 1.293 184 D CA -0.645 53.449 54.000 0.158 0.000 0.964 184 D CB 2.630 43.517 40.800 0.145 0.000 1.435 184 D HN 0.335 8.745 8.370 0.066 0.000 0.548 185 K N -2.882 117.729 120.400 0.352 0.000 3.206 185 K HA 0.341 nan 4.320 nan 0.000 0.180 185 K C -0.678 176.098 176.600 0.293 0.000 1.088 185 K CA -1.591 54.890 56.287 0.324 0.000 0.872 185 K CB -1.133 31.525 32.500 0.263 0.000 0.976 185 K HN 0.222 8.649 8.250 0.294 0.000 0.564 186 A N 1.377 124.452 122.820 0.425 0.000 2.206 186 A HA -0.127 nan 4.320 nan 0.000 0.211 186 A C 0.163 177.897 177.584 0.251 0.000 1.158 186 A CA 2.332 54.563 52.037 0.323 0.000 0.761 186 A CB -0.514 18.665 19.000 0.298 0.000 0.801 186 A HN 0.350 9.148 8.150 0.591 -0.294 0.473 187 N N -5.097 113.711 118.700 0.179 0.000 2.336 187 N HA -0.043 nan 4.740 nan 0.000 0.189 187 N C -0.227 175.259 175.510 -0.040 0.000 1.113 187 N CA 0.461 53.504 53.050 -0.012 0.000 0.858 187 N CB -0.051 38.257 38.487 -0.299 0.000 0.970 187 N HN -0.042 8.416 8.380 0.216 0.052 0.471 188 V N -3.010 116.905 119.914 0.002 0.000 3.141 188 V HA 0.157 nan 4.120 nan 0.000 0.225 188 V C -0.239 175.877 176.094 0.037 0.000 1.352 188 V CA 1.340 63.641 62.300 0.001 0.000 1.316 188 V CB 1.921 33.734 31.823 -0.016 0.000 1.126 188 V HN -0.612 7.550 8.190 0.052 0.060 0.493 189 L N -1.211 120.054 121.223 0.070 0.000 2.344 189 L HA 0.270 nan 4.340 nan 0.000 0.272 189 L C 1.224 178.153 176.870 0.098 0.000 1.035 189 L CA -0.973 53.911 54.840 0.073 0.000 0.807 189 L CB 1.636 43.741 42.059 0.076 0.000 1.237 189 L HN -0.076 8.210 8.230 0.093 0.000 0.442 190 E N 1.796 122.045 120.200 0.081 0.000 2.122 190 E HA -0.151 nan 4.350 nan 0.000 0.190 190 E C 1.764 178.457 176.600 0.155 0.000 0.977 190 E CA 2.481 58.943 56.400 0.103 0.000 0.820 190 E CB -0.952 28.781 29.700 0.055 0.000 0.770 190 E HN 0.345 8.738 8.360 0.054 0.000 0.462 191 V N 0.799 120.787 119.914 0.123 0.000 2.317 191 V HA -0.356 nan 4.120 nan 0.000 0.251 191 V C 2.419 178.708 176.094 0.324 0.000 1.065 191 V CA 4.712 67.134 62.300 0.204 0.000 1.049 191 V CB -0.988 30.897 31.823 0.104 0.000 0.651 191 V HN 0.250 8.479 8.190 0.065 0.000 0.450 192 G N -2.918 106.021 108.800 0.232 0.000 2.422 192 G HA2 -0.353 nan 3.960 nan 0.000 0.218 192 G HA3 -0.353 nan 3.960 nan 0.000 0.218 192 G C 1.036 176.124 174.900 0.314 0.000 1.140 192 G CA 1.902 47.160 45.100 0.263 0.000 0.775 192 G HN 0.240 8.631 8.290 0.165 -0.003 0.545 193 E N 3.059 123.423 120.200 0.273 0.000 2.047 193 E HA -0.312 nan 4.350 nan 0.000 0.191 193 E C 1.870 178.637 176.600 0.278 0.000 0.987 193 E CA 2.548 59.092 56.400 0.240 0.000 0.799 193 E CB -0.046 29.770 29.700 0.194 0.000 0.752 193 E HN -0.717 7.671 8.360 0.235 0.113 0.449 194 F N 1.289 121.335 119.950 0.159 0.000 2.069 194 F HA -0.388 nan 4.527 nan 0.000 0.298 194 F C 1.157 177.065 175.800 0.180 0.000 1.113 194 F CA 3.637 61.724 58.000 0.146 0.000 1.214 194 F CB 0.217 39.308 39.000 0.152 0.000 0.978 194 F HN 0.036 8.614 8.300 0.462 0.000 0.474 195 W N -1.511 119.892 121.300 0.171 0.000 2.317 195 W HA -0.540 nan 4.660 nan 0.000 0.318 195 W C 1.651 178.168 176.519 -0.003 0.000 1.227 195 W CA 4.176 61.541 57.345 0.034 0.000 1.269 195 W CB 0.033 29.572 29.460 0.132 0.000 1.155 195 W HN 0.098 8.699 8.180 0.701 0.000 0.484 196 R N -1.295 119.394 120.500 0.316 0.000 2.096 196 R HA -0.466 nan 4.340 nan 0.000 0.235 196 R C 1.997 178.314 176.300 0.029 0.000 1.127 196 R CA 3.760 59.976 56.100 0.193 0.000 0.968 196 R CB 0.033 30.398 30.300 0.108 0.000 0.861 196 R HN -0.282 8.144 8.270 0.385 0.075 0.440 197 K N -2.679 117.707 120.400 -0.023 0.000 2.076 197 K HA -0.138 nan 4.320 nan 0.000 0.204 197 K C 2.274 178.796 176.600 -0.129 0.000 1.051 197 K CA 2.977 59.225 56.287 -0.065 0.000 0.949 197 K CB -0.620 31.851 32.500 -0.047 0.000 0.726 197 K HN -0.165 8.092 8.250 0.011 0.000 0.443 198 T N 3.544 117.932 114.554 -0.277 0.000 2.622 198 T HA -0.299 nan 4.350 nan 0.000 0.266 198 T C 2.142 176.708 174.700 -0.222 0.000 1.047 198 T CA 4.723 66.624 62.100 -0.333 0.000 1.159 198 T CB -0.543 67.988 68.868 -0.562 0.000 0.863 198 T HN -0.371 7.653 8.240 -0.361 0.000 0.422 199 V N 0.822 120.601 119.914 -0.226 0.000 2.469 199 V HA -0.399 nan 4.120 nan 0.000 0.251 199 V C 2.276 178.436 176.094 0.110 0.000 1.064 199 V CA 4.123 66.385 62.300 -0.064 0.000 1.066 199 V CB -1.211 30.560 31.823 -0.086 0.000 0.667 199 V HN -0.125 7.869 8.190 -0.325 0.000 0.461 200 E N -1.516 118.752 120.200 0.112 0.000 2.158 200 E HA -0.239 nan 4.350 nan 0.000 0.191 200 E C 2.374 178.993 176.600 0.031 0.000 0.982 200 E CA 2.628 59.110 56.400 0.135 0.000 0.823 200 E CB -0.479 29.290 29.700 0.115 0.000 0.766 200 E HN -0.490 7.795 8.360 0.065 0.114 0.468 201 E N 0.395 120.580 120.200 -0.025 0.000 2.017 201 E HA -0.235 nan 4.350 nan 0.000 0.193 201 E C 2.801 179.358 176.600 -0.072 0.000 0.997 201 E CA 3.266 59.632 56.400 -0.056 0.000 0.804 201 E CB 0.232 29.882 29.700 -0.082 0.000 0.757 201 E HN -0.299 7.955 8.360 -0.042 0.082 0.448 202 V N -1.536 118.339 119.914 -0.066 0.000 2.688 202 V HA -0.270 nan 4.120 nan 0.000 0.256 202 V C 2.427 178.427 176.094 -0.158 0.000 1.084 202 V CA 3.329 65.599 62.300 -0.051 0.000 1.103 202 V CB -1.030 30.800 31.823 0.011 0.000 0.688 202 V HN 0.031 8.180 8.190 -0.068 0.000 0.480 203 G N -1.948 106.725 108.800 -0.211 0.000 2.448 203 G HA2 -0.234 nan 3.960 nan 0.000 0.218 203 G HA3 -0.234 nan 3.960 nan 0.000 0.218 203 G C 1.190 175.953 174.900 -0.228 0.000 1.135 203 G CA 1.403 46.253 45.100 -0.417 0.000 0.784 203 G HN -0.291 7.846 8.290 -0.065 0.114 0.543 204 R N 1.213 121.628 120.500 -0.143 0.000 2.105 204 R HA -0.277 nan 4.340 nan 0.000 0.239 204 R C 2.000 178.195 176.300 -0.175 0.000 1.135 204 R CA 2.624 58.653 56.100 -0.118 0.000 0.967 204 R CB -0.217 30.026 30.300 -0.095 0.000 0.861 204 R HN 0.058 8.107 8.270 -0.119 0.150 0.442 205 G N -3.599 105.036 108.800 -0.276 0.000 2.534 205 G HA2 -0.130 nan 3.960 nan 0.000 0.217 205 G HA3 -0.130 nan 3.960 nan 0.000 0.217 205 G C -0.447 174.090 174.900 -0.605 0.000 1.128 205 G CA 0.539 45.369 45.100 -0.450 0.000 0.784 205 G HN -0.303 7.821 8.290 -0.252 0.014 0.542 206 Y N -0.978 119.156 120.300 -0.276 0.000 2.724 206 Y HA 0.357 nan 4.550 nan 0.000 0.370 206 Y C -1.664 174.165 175.900 -0.118 0.000 0.978 206 Y CA -3.558 54.418 58.100 -0.206 0.000 1.443 206 Y CB -0.761 37.520 38.460 -0.298 0.000 1.386 206 Y HN -0.565 7.439 8.280 -0.202 0.155 0.557 207 P HA -0.183 nan 4.420 nan 0.000 0.234 207 P C -0.970 176.359 177.300 0.047 0.000 1.162 207 P CA 1.758 64.864 63.100 0.010 0.000 0.759 207 P CB -0.670 31.018 31.700 -0.020 0.000 0.813 208 D N -3.241 117.204 120.400 0.075 0.000 2.369 208 D HA 0.017 nan 4.640 nan 0.000 0.211 208 D C -0.208 176.153 176.300 0.102 0.000 1.077 208 D CA -0.061 53.984 54.000 0.076 0.000 0.842 208 D CB 0.820 41.659 40.800 0.065 0.000 0.947 208 D HN 0.014 8.345 8.370 0.099 0.098 0.509 209 V N 1.089 121.088 119.914 0.141 0.000 2.487 209 V HA 0.120 nan 4.120 nan 0.000 0.298 209 V C -0.988 175.224 176.094 0.195 0.000 1.028 209 V CA -1.164 61.246 62.300 0.183 0.000 0.860 209 V CB 1.222 33.217 31.823 0.286 0.000 0.991 209 V HN -0.576 7.619 8.190 0.142 0.080 0.427 210 A N 7.890 130.821 122.820 0.185 0.000 2.322 210 A HA 0.389 nan 4.320 nan 0.000 0.269 210 A C -2.090 175.597 177.584 0.173 0.000 1.094 210 A CA -0.788 51.345 52.037 0.160 0.000 0.807 210 A CB 1.572 20.657 19.000 0.143 0.000 1.047 210 A HN 0.056 8.320 8.150 0.189 0.000 0.487 211 L N 0.649 121.953 121.223 0.135 0.000 2.385 211 L HA 0.603 nan 4.340 nan 0.000 0.273 211 L C -1.243 175.614 176.870 -0.021 0.000 0.990 211 L CA -0.624 54.265 54.840 0.081 0.000 0.821 211 L CB 2.868 45.024 42.059 0.161 0.000 1.279 211 L HN 0.143 8.444 8.230 0.119 0.000 0.412 212 E N 5.388 125.519 120.200 -0.115 0.000 2.336 212 E HA 0.333 nan 4.350 nan 0.000 0.267 212 E C -1.875 174.562 176.600 -0.273 0.000 0.906 212 E CA -2.025 54.319 56.400 -0.093 0.000 0.781 212 E CB 3.970 33.652 29.700 -0.029 0.000 1.261 212 E HN 0.300 8.587 8.360 -0.122 0.000 0.436 213 H N 0.242 119.311 119.070 -0.002 0.000 2.670 213 H HA 0.792 nan 4.556 nan 0.000 0.361 213 H C -0.489 174.775 175.328 -0.106 0.000 1.169 213 H CA -0.926 55.102 56.048 -0.032 0.000 1.198 213 H CB 2.459 32.191 29.762 -0.051 0.000 1.700 213 H HN 0.201 8.574 8.280 0.155 0.000 0.542 214 Q N -1.000 118.766 119.800 -0.056 0.000 2.482 214 Q HA 0.262 nan 4.340 nan 0.000 0.286 214 Q C -2.208 173.671 176.000 -0.202 0.000 1.007 214 Q CA -0.900 54.826 55.803 -0.127 0.000 0.801 214 Q CB 4.765 33.528 28.738 0.041 0.000 1.455 214 Q HN 0.387 8.646 8.270 -0.017 0.000 0.398 215 Y N -0.702 119.637 120.300 0.064 0.000 2.307 215 Y HA 0.230 nan 4.550 nan 0.000 0.324 215 Y C 0.522 176.369 175.900 -0.088 0.000 1.238 215 Y CA 0.296 58.398 58.100 0.003 0.000 1.280 215 Y CB 0.505 38.965 38.460 -0.001 0.000 1.248 215 Y HN 0.022 8.304 8.280 0.003 0.000 0.508 216 V N 2.375 122.250 119.914 -0.066 0.000 2.407 216 V HA -0.455 nan 4.120 nan 0.000 0.248 216 V C 0.487 176.443 176.094 -0.230 0.000 1.055 216 V CA 3.393 65.496 62.300 -0.329 0.000 1.049 216 V CB -0.135 31.073 31.823 -1.025 0.000 0.662 216 V HN 0.351 8.528 8.190 -0.022 0.000 0.455 217 D N -0.995 119.311 120.400 -0.156 0.000 2.183 217 D HA -0.269 nan 4.640 nan 0.000 0.203 217 D C 1.661 177.914 176.300 -0.079 0.000 0.969 217 D CA 3.341 57.269 54.000 -0.120 0.000 0.842 217 D CB -1.115 39.624 40.800 -0.102 0.000 0.957 217 D HN 0.299 8.588 8.370 -0.136 0.000 0.484 218 A N -1.100 121.711 122.820 -0.015 0.000 1.970 218 A HA -0.079 nan 4.320 nan 0.000 0.216 218 A C 1.665 179.227 177.584 -0.036 0.000 1.170 218 A CA 2.395 54.407 52.037 -0.042 0.000 0.645 218 A CB -0.465 18.588 19.000 0.089 0.000 0.816 218 A HN -0.772 7.410 8.150 0.052 0.000 0.447 219 M N -0.442 119.186 119.600 0.047 0.000 2.254 219 M HA -0.287 nan 4.480 nan 0.000 0.265 219 M C 1.328 177.610 176.300 -0.030 0.000 1.066 219 M CA 1.668 57.008 55.300 0.067 0.000 1.123 219 M CB -0.304 32.251 32.600 -0.075 0.000 1.388 219 M HN 0.063 8.365 8.290 0.020 0.000 0.425 220 A N -1.014 121.755 122.820 -0.084 0.000 1.972 220 A HA -0.243 nan 4.320 nan 0.000 0.219 220 A C 1.804 179.353 177.584 -0.059 0.000 1.169 220 A CA 2.935 54.922 52.037 -0.083 0.000 0.635 220 A CB -0.778 18.162 19.000 -0.100 0.000 0.810 220 A HN 0.097 8.185 8.150 -0.103 0.000 0.446 221 M N -4.696 114.851 119.600 -0.089 0.000 2.394 221 M HA -0.175 nan 4.480 nan 0.000 0.266 221 M C 2.096 178.373 176.300 -0.039 0.000 1.098 221 M CA 3.292 58.532 55.300 -0.099 0.000 1.149 221 M CB 0.249 32.745 32.600 -0.174 0.000 1.369 221 M HN -0.764 7.345 8.290 -0.120 0.109 0.450 222 H N 0.264 119.374 119.070 0.066 0.000 2.462 222 H HA -0.105 nan 4.556 nan 0.000 0.292 222 H C 2.871 178.302 175.328 0.171 0.000 1.049 222 H CA 3.469 59.604 56.048 0.145 0.000 1.334 222 H CB -0.010 29.924 29.762 0.286 0.000 1.404 222 H HN -0.291 7.874 8.280 -0.058 0.080 0.544 223 L N -2.336 118.996 121.223 0.182 0.000 2.456 223 L HA -0.194 nan 4.340 nan 0.000 0.224 223 L C 0.718 177.651 176.870 0.105 0.000 1.148 223 L CA 2.585 57.469 54.840 0.073 0.000 0.825 223 L CB -0.374 41.651 42.059 -0.056 0.000 0.937 223 L HN -0.054 8.243 8.230 0.110 0.000 0.450 224 V N -2.481 117.484 119.914 0.085 0.000 3.212 224 V HA -0.065 nan 4.120 nan 0.000 0.244 224 V C 1.010 177.142 176.094 0.064 0.000 1.151 224 V CA 1.765 64.093 62.300 0.046 0.000 1.119 224 V CB 0.627 32.435 31.823 -0.024 0.000 0.838 224 V HN -0.621 7.474 8.190 0.076 0.141 0.470 225 R N -0.265 120.304 120.500 0.116 0.000 2.080 225 R HA -0.042 nan 4.340 nan 0.000 0.222 225 R C 0.815 177.322 176.300 0.345 0.000 1.107 225 R CA 2.233 58.458 56.100 0.208 0.000 0.980 225 R CB 1.220 31.614 30.300 0.156 0.000 0.879 225 R HN 0.031 8.365 8.270 0.108 0.000 0.439 226 S N -3.315 112.537 115.700 0.254 0.000 2.300 226 S HA 0.531 nan 4.470 nan 0.000 0.172 226 S C -1.363 173.307 174.600 0.117 0.000 1.484 226 S CA -2.996 55.295 58.200 0.151 0.000 1.265 226 S CB 0.702 63.932 63.200 0.051 0.000 1.313 226 S HN -0.377 7.988 8.310 0.267 0.105 0.387 227 P HA -0.142 nan 4.420 nan 0.000 0.221 227 P C 0.386 177.840 177.300 0.257 0.000 1.150 227 P CA 1.821 65.074 63.100 0.254 0.000 0.800 227 P CB -0.061 31.816 31.700 0.295 0.000 0.787 228 A N -1.971 120.945 122.820 0.160 0.000 2.272 228 A HA -0.223 nan 4.320 nan 0.000 0.213 228 A C 0.247 177.824 177.584 -0.012 0.000 1.183 228 A CA 1.533 53.633 52.037 0.105 0.000 0.719 228 A CB -1.048 17.981 19.000 0.049 0.000 0.771 228 A HN -0.142 8.097 8.150 0.148 0.000 0.484 229 R N -3.252 117.117 120.500 -0.217 0.000 2.427 229 R HA 0.049 nan 4.340 nan 0.000 0.262 229 R C -0.736 175.264 176.300 -0.499 0.000 0.943 229 R CA 0.227 56.065 56.100 -0.437 0.000 1.081 229 R CB 0.379 30.287 30.300 -0.654 0.000 1.166 229 R HN -0.675 7.349 8.270 -0.257 0.092 0.534 230 F N -2.111 117.853 119.950 0.022 0.000 2.577 230 F HA 0.237 nan 4.527 nan 0.000 0.318 230 F C -0.889 175.015 175.800 0.174 0.000 1.065 230 F CA -0.908 57.121 58.000 0.049 0.000 0.929 230 F CB 2.608 41.526 39.000 -0.136 0.000 1.237 230 F HN -0.712 7.603 8.300 0.151 0.076 0.468 231 D N 1.321 121.936 120.400 0.358 0.000 3.040 231 D HA 0.189 nan 4.640 nan 0.000 0.221 231 D C -1.410 174.992 176.300 0.171 0.000 1.515 231 D CA 0.136 54.249 54.000 0.187 0.000 1.379 231 D CB 1.901 42.685 40.800 -0.026 0.000 0.992 231 D HN 0.013 8.617 8.370 0.391 0.000 0.234 232 V N -0.500 119.467 119.914 0.088 0.000 2.483 232 V HA 0.549 nan 4.120 nan 0.000 0.295 232 V C -1.128 174.969 176.094 0.005 0.000 1.035 232 V CA -0.783 61.539 62.300 0.037 0.000 0.896 232 V CB 2.096 33.893 31.823 -0.042 0.000 0.986 232 V HN -0.491 7.740 8.190 0.068 0.000 0.447 233 V N 6.581 126.481 119.914 -0.023 0.000 2.540 233 V HA 0.691 nan 4.120 nan 0.000 0.302 233 V C -2.123 173.934 176.094 -0.062 0.000 1.035 233 V CA -1.316 60.929 62.300 -0.091 0.000 0.873 233 V CB 2.465 34.167 31.823 -0.202 0.000 0.992 233 V HN 0.537 8.729 8.190 0.004 0.000 0.428 234 V N 8.219 128.108 119.914 -0.041 0.000 2.588 234 V HA 0.858 nan 4.120 nan 0.000 0.304 234 V C -2.800 173.389 176.094 0.159 0.000 1.042 234 V CA -1.957 60.362 62.300 0.032 0.000 0.877 234 V CB 3.412 35.207 31.823 -0.046 0.000 0.996 234 V HN 0.326 8.487 8.190 -0.048 0.000 0.425 235 T N 8.382 123.040 114.554 0.174 0.000 2.792 235 T HA 0.633 nan 4.350 nan 0.000 0.303 235 T C -1.224 173.464 174.700 -0.020 0.000 1.310 235 T CA -1.438 60.698 62.100 0.061 0.000 1.007 235 T CB 3.472 72.351 68.868 0.019 0.000 1.335 235 T HN -0.072 8.262 8.240 0.158 0.000 0.504 236 G N 0.531 109.084 108.800 -0.411 0.000 2.583 236 G HA2 0.114 nan 3.960 nan 0.000 0.275 236 G HA3 0.114 nan 3.960 nan 0.000 0.275 236 G C -0.708 174.161 174.900 -0.051 0.000 1.342 236 G CA 0.212 45.163 45.100 -0.249 0.000 1.030 236 G HN 0.347 8.274 8.290 -0.606 0.000 0.520 237 N N 0.911 119.604 118.700 -0.012 0.000 2.083 237 N HA -0.150 nan 4.740 nan 0.000 0.190 237 N C 2.138 177.573 175.510 -0.125 0.000 1.047 237 N CA 2.713 55.757 53.050 -0.010 0.000 0.845 237 N CB 0.110 38.617 38.487 0.034 0.000 1.025 237 N HN -0.434 7.990 8.380 0.074 0.000 0.428 238 I N -0.217 120.106 120.570 -0.412 0.000 2.286 238 I HA -0.356 nan 4.170 nan 0.000 0.248 238 I C 1.163 177.297 176.117 0.028 0.000 1.115 238 I CA 3.273 64.376 61.300 -0.327 0.000 1.392 238 I CB -0.077 37.612 38.000 -0.518 0.000 1.065 238 I HN 0.140 8.008 8.210 -0.571 0.000 0.418 239 F N -2.345 117.516 119.950 -0.148 0.000 2.325 239 F HA -0.101 nan 4.527 nan 0.000 0.299 239 F C 2.064 177.819 175.800 -0.075 0.000 1.090 239 F CA 0.669 58.602 58.000 -0.112 0.000 1.392 239 F CB -1.701 37.211 39.000 -0.148 0.000 1.053 239 F HN -0.139 7.992 8.300 -0.282 0.000 0.521 240 G N -0.410 108.462 108.800 0.120 0.000 2.430 240 G HA2 -0.330 nan 3.960 nan 0.000 0.216 240 G HA3 -0.330 nan 3.960 nan 0.000 0.216 240 G C 0.645 175.598 174.900 0.089 0.000 1.146 240 G CA 1.645 46.796 45.100 0.086 0.000 0.793 240 G HN 0.090 8.312 8.290 0.066 0.107 0.537 241 D N 2.515 122.980 120.400 0.109 0.000 2.123 241 D HA -0.121 nan 4.640 nan 0.000 0.200 241 D C 2.122 178.482 176.300 0.100 0.000 0.976 241 D CA 2.644 56.718 54.000 0.123 0.000 0.831 241 D CB 0.030 40.945 40.800 0.192 0.000 0.974 241 D HN 0.005 8.421 8.370 0.107 0.017 0.469 242 I N 0.085 120.714 120.570 0.099 0.000 2.163 242 I HA -0.479 nan 4.170 nan 0.000 0.240 242 I C 1.785 177.925 176.117 0.039 0.000 1.081 242 I CA 4.113 65.452 61.300 0.066 0.000 1.353 242 I CB 0.202 38.237 38.000 0.059 0.000 1.054 242 I HN -0.061 8.222 8.210 0.122 0.000 0.407 243 L N -1.780 119.460 121.223 0.028 0.000 2.191 243 L HA -0.459 nan 4.340 nan 0.000 0.212 243 L C 2.678 179.567 176.870 0.031 0.000 1.103 243 L CA 3.240 58.080 54.840 -0.001 0.000 0.769 243 L CB -0.700 41.337 42.059 -0.037 0.000 0.908 243 L HN -0.329 7.930 8.230 0.048 0.000 0.438 244 S N -0.018 115.717 115.700 0.057 0.000 2.377 244 S HA -0.242 nan 4.470 nan 0.000 0.223 244 S C 2.092 176.734 174.600 0.070 0.000 1.030 244 S CA 4.099 62.346 58.200 0.078 0.000 0.970 244 S CB -0.349 62.893 63.200 0.071 0.000 0.830 244 S HN 0.217 8.457 8.310 0.058 0.105 0.473 245 D N 2.479 122.915 120.400 0.059 0.000 2.092 245 D HA -0.252 nan 4.640 nan 0.000 0.193 245 D C 2.470 178.800 176.300 0.050 0.000 0.994 245 D CA 3.197 57.228 54.000 0.051 0.000 0.828 245 D CB -0.251 40.577 40.800 0.045 0.000 0.963 245 D HN -0.647 7.759 8.370 0.059 0.000 0.450 246 L N -0.727 120.521 121.223 0.042 0.000 1.990 246 L HA -0.393 nan 4.340 nan 0.000 0.213 246 L C 1.884 178.797 176.870 0.071 0.000 1.072 246 L CA 3.201 58.065 54.840 0.039 0.000 0.755 246 L CB -0.378 41.690 42.059 0.015 0.000 0.889 246 L HN 0.030 8.281 8.230 0.035 0.000 0.432 247 A N -2.566 120.318 122.820 0.107 0.000 2.032 247 A HA -0.363 nan 4.320 nan 0.000 0.221 247 A C 2.205 179.874 177.584 0.141 0.000 1.165 247 A CA 3.115 55.273 52.037 0.203 0.000 0.645 247 A CB -0.858 18.345 19.000 0.340 0.000 0.807 247 A HN 0.164 8.367 8.150 0.088 0.000 0.453 248 S N -2.974 112.778 115.700 0.088 0.000 2.547 248 S HA -0.157 nan 4.470 nan 0.000 0.235 248 S C 1.621 176.254 174.600 0.056 0.000 0.980 248 S CA 2.690 60.925 58.200 0.059 0.000 0.941 248 S CB -0.109 63.120 63.200 0.050 0.000 0.763 248 S HN -0.217 8.017 8.310 0.082 0.125 0.532 249 V N -5.346 114.605 119.914 0.062 0.000 3.506 249 V HA 0.211 nan 4.120 nan 0.000 0.263 249 V C 0.825 176.955 176.094 0.060 0.000 1.203 249 V CA 1.005 63.337 62.300 0.053 0.000 1.133 249 V CB -0.501 31.348 31.823 0.044 0.000 0.802 249 V HN -0.306 7.882 8.190 0.071 0.044 0.459 250 L N -0.407 120.864 121.223 0.080 0.000 2.083 250 L HA 0.053 nan 4.340 nan 0.000 0.209 250 L C -0.245 176.666 176.870 0.069 0.000 1.083 250 L CA 2.857 57.752 54.840 0.091 0.000 0.752 250 L CB -2.647 39.498 42.059 0.142 0.000 0.899 250 L HN -0.400 7.842 8.230 0.093 0.044 0.433 251 P HA -0.018 nan 4.420 nan 0.000 0.220 251 P C 0.418 177.756 177.300 0.063 0.000 1.152 251 P CA 0.963 64.097 63.100 0.056 0.000 0.812 251 P CB 0.393 32.125 31.700 0.053 0.000 0.792 252 G N -2.845 105.987 108.800 0.053 0.000 5.347 252 G HA2 -0.338 nan 3.960 nan 0.000 0.299 252 G HA3 -0.338 nan 3.960 nan 0.000 0.299 252 G C -0.795 174.129 174.900 0.040 0.000 1.492 252 G CA 0.079 45.206 45.100 0.046 0.000 0.991 252 G HN -0.632 7.589 8.290 0.051 0.099 0.749 253 S N 6.621 122.347 115.700 0.043 0.000 2.686 253 S HA -0.009 nan 4.470 nan 0.000 0.324 253 S C 0.089 174.710 174.600 0.035 0.000 1.172 253 S CA -0.343 57.875 58.200 0.030 0.000 1.127 253 S CB -0.346 62.869 63.200 0.025 0.000 1.338 253 S HN -0.339 7.965 8.310 0.052 0.038 0.547 254 L N 0.308 121.548 121.223 0.028 0.000 2.456 254 L HA 0.022 nan 4.340 nan 0.000 0.246 254 L C 1.180 178.070 176.870 0.034 0.000 1.238 254 L CA 0.515 55.376 54.840 0.035 0.000 0.826 254 L CB -0.047 42.030 42.059 0.031 0.000 1.150 254 L HN -0.272 7.968 8.230 0.023 0.004 0.514 255 G N -2.850 105.984 108.800 0.057 0.000 2.179 255 G HA2 -0.400 nan 3.960 nan 0.000 0.260 255 G HA3 -0.400 nan 3.960 nan 0.000 0.260 255 G C 0.438 175.404 174.900 0.110 0.000 0.977 255 G CA 0.786 45.937 45.100 0.086 0.000 0.641 255 G HN 0.473 8.800 8.290 0.062 0.000 0.533 256 L N -1.683 119.590 121.223 0.084 0.000 2.612 256 L HA 0.005 nan 4.340 nan 0.000 0.230 256 L C -0.250 176.691 176.870 0.119 0.000 1.140 256 L CA 0.132 55.030 54.840 0.097 0.000 0.896 256 L CB -0.772 41.362 42.059 0.125 0.000 1.065 256 L HN -0.216 7.959 8.230 0.072 0.098 0.447 257 L N -1.001 120.277 121.223 0.092 0.000 2.329 257 L HA 0.577 nan 4.340 nan 0.000 0.279 257 L C -2.136 174.758 176.870 0.040 0.000 1.014 257 L CA -2.950 51.928 54.840 0.065 0.000 0.814 257 L CB 1.786 43.868 42.059 0.039 0.000 1.257 257 L HN -0.450 7.777 8.230 0.096 0.061 0.424 258 P HA 0.790 nan 4.420 nan 0.000 0.283 258 P C -1.650 175.670 177.300 0.032 0.000 1.278 258 P CA -1.523 61.599 63.100 0.038 0.000 0.834 258 P CB 1.450 33.192 31.700 0.070 0.000 1.150 259 S N -1.493 114.230 115.700 0.037 0.000 2.550 259 S HA 0.378 nan 4.470 nan 0.000 0.270 259 S C -2.300 172.294 174.600 -0.010 0.000 1.145 259 S CA -1.110 57.093 58.200 0.005 0.000 0.852 259 S CB 2.463 65.651 63.200 -0.020 0.000 1.119 259 S HN -0.009 8.336 8.310 0.060 0.000 0.465 260 A N 2.591 125.348 122.820 -0.104 0.000 2.456 260 A HA 0.502 nan 4.320 nan 0.000 0.288 260 A C -2.220 175.151 177.584 -0.355 0.000 1.042 260 A CA -0.097 51.749 52.037 -0.318 0.000 0.738 260 A CB 2.909 21.763 19.000 -0.242 0.000 1.266 260 A HN 0.125 8.217 8.150 -0.096 0.000 0.407 261 S N 4.070 119.526 115.700 -0.407 0.000 2.525 261 S HA 0.898 nan 4.470 nan 0.000 0.278 261 S C -1.452 172.896 174.600 -0.419 0.000 1.234 261 S CA -0.255 57.750 58.200 -0.325 0.000 1.058 261 S CB 0.923 63.968 63.200 -0.258 0.000 0.983 261 S HN 0.144 8.164 8.310 -0.484 0.000 0.495 262 L N 2.564 123.553 121.223 -0.390 0.000 2.376 262 L HA 0.560 nan 4.340 nan 0.000 0.258 262 L C -1.620 174.887 176.870 -0.605 0.000 1.013 262 L CA -0.909 53.673 54.840 -0.429 0.000 0.822 262 L CB 4.381 46.219 42.059 -0.368 0.000 1.388 262 L HN 0.036 8.063 8.230 -0.339 0.000 0.413 263 G N -1.781 106.636 108.800 -0.639 0.000 2.441 263 G HA2 0.102 nan 3.960 nan 0.000 0.225 263 G HA3 0.102 nan 3.960 nan 0.000 0.225 263 G C -0.610 174.023 174.900 -0.446 0.000 1.200 263 G CA 0.926 45.434 45.100 -0.986 0.000 0.947 263 G HN -0.390 7.637 8.290 -0.438 0.000 0.484 264 R N 1.038 121.392 120.500 -0.244 0.000 2.093 264 R HA 0.036 nan 4.340 nan 0.000 0.224 264 R C 1.297 177.556 176.300 -0.069 0.000 1.101 264 R CA 1.714 57.780 56.100 -0.056 0.000 0.979 264 R CB 0.666 30.987 30.300 0.035 0.000 0.877 264 R HN 0.167 8.279 8.270 -0.263 0.000 0.441 265 G N -1.848 106.895 108.800 -0.096 0.000 2.666 265 G HA2 0.118 nan 3.960 nan 0.000 0.207 265 G HA3 0.118 nan 3.960 nan 0.000 0.207 265 G C -1.468 173.376 174.900 -0.094 0.000 1.481 265 G CA -0.954 44.102 45.100 -0.074 0.000 1.071 265 G HN -0.461 7.754 8.290 -0.125 0.000 0.572 266 T N 1.541 116.047 114.554 -0.079 0.000 2.779 266 T HA 0.213 nan 4.350 nan 0.000 0.296 266 T C -1.222 173.404 174.700 -0.123 0.000 0.938 266 T CA -1.556 60.502 62.100 -0.070 0.000 1.119 266 T CB -0.353 68.491 68.868 -0.041 0.000 0.891 266 T HN 0.069 8.271 8.240 -0.064 0.000 0.526 267 P HA 0.044 nan 4.420 nan 0.000 0.265 267 P C -1.928 175.151 177.300 -0.369 0.000 1.193 267 P CA -0.065 62.862 63.100 -0.288 0.000 0.765 267 P CB 0.445 32.037 31.700 -0.180 0.000 0.823 268 V N 2.347 121.918 119.914 -0.571 0.000 2.483 268 V HA 0.583 nan 4.120 nan 0.000 0.295 268 V C -1.330 174.402 176.094 -0.604 0.000 1.035 268 V CA -0.574 61.483 62.300 -0.405 0.000 0.896 268 V CB 2.422 34.071 31.823 -0.291 0.000 0.986 268 V HN -0.219 7.595 8.190 -0.628 0.000 0.447 269 F N 5.778 125.684 119.950 -0.073 0.000 2.536 269 F HA 0.614 nan 4.527 nan 0.000 0.322 269 F C -2.088 173.679 175.800 -0.054 0.000 1.144 269 F CA -1.476 56.493 58.000 -0.052 0.000 0.924 269 F CB 3.122 42.106 39.000 -0.026 0.000 1.181 269 F HN -0.144 8.250 8.300 0.157 0.000 0.438 270 E N 0.482 120.720 120.200 0.062 0.000 2.410 270 E HA 0.734 nan 4.350 nan 0.000 0.269 270 E C -2.783 173.797 176.600 -0.033 0.000 0.937 270 E CA -3.848 52.556 56.400 0.007 0.000 0.793 270 E CB 1.683 31.366 29.700 -0.028 0.000 1.314 270 E HN 0.412 8.800 8.360 0.047 0.000 0.447 271 P HA 0.147 nan 4.420 nan 0.000 0.274 271 P C -0.875 176.284 177.300 -0.235 0.000 1.231 271 P CA -0.483 62.469 63.100 -0.247 0.000 0.790 271 P CB 0.635 32.016 31.700 -0.531 0.000 0.951 272 V N 3.264 123.101 119.914 -0.127 0.000 2.338 272 V HA 0.123 nan 4.120 nan 0.000 0.255 272 V C -1.274 174.846 176.094 0.044 0.000 1.082 272 V CA -0.014 62.268 62.300 -0.029 0.000 0.951 272 V CB -2.209 29.624 31.823 0.017 0.000 1.102 272 V HN 0.292 8.430 8.190 -0.086 0.000 0.489 273 H N 3.670 122.758 119.070 0.031 0.000 2.915 273 H HA 0.042 nan 4.556 nan 0.000 0.263 273 H C -1.780 173.567 175.328 0.031 0.000 1.373 273 H CA -0.974 55.091 56.048 0.028 0.000 1.354 273 H CB 0.340 30.116 29.762 0.024 0.000 1.866 273 H HN -0.451 7.852 8.280 0.038 0.000 0.479 274 G N -2.865 106.079 108.800 0.241 0.000 2.531 274 G HA2 0.131 nan 3.960 nan 0.000 0.281 274 G HA3 0.131 nan 3.960 nan 0.000 0.281 274 G C -0.318 174.699 174.900 0.196 0.000 1.382 274 G CA -0.926 44.281 45.100 0.179 0.000 1.045 274 G HN 0.092 8.468 8.290 0.142 0.000 0.533 275 S N 1.464 117.243 115.700 0.131 0.000 2.382 275 S HA -0.348 nan 4.470 nan 0.000 0.228 275 S C 0.567 175.203 174.600 0.060 0.000 1.027 275 S CA 2.555 60.823 58.200 0.112 0.000 0.991 275 S CB 0.166 63.435 63.200 0.115 0.000 0.823 275 S HN 0.522 8.902 8.310 0.116 0.000 0.469 276 A N -1.289 121.546 122.820 0.025 0.000 2.610 276 A HA -0.222 nan 4.320 nan 0.000 0.299 276 A C -1.349 176.240 177.584 0.008 0.000 1.487 276 A CA 0.006 52.036 52.037 -0.011 0.000 0.743 276 A CB -1.945 17.008 19.000 -0.079 0.000 1.070 276 A HN 0.235 8.387 8.150 0.037 0.021 0.439 277 P HA -0.285 nan 4.420 nan 0.000 0.216 277 P C 0.716 178.025 177.300 0.016 0.000 1.153 277 P CA 2.393 65.515 63.100 0.036 0.000 0.858 277 P CB -0.837 30.889 31.700 0.043 0.000 0.789 278 D N -3.654 116.748 120.400 0.005 0.000 2.244 278 D HA -0.301 nan 4.640 nan 0.000 0.197 278 D C 0.835 177.132 176.300 -0.004 0.000 1.006 278 D CA 2.621 56.619 54.000 -0.003 0.000 0.888 278 D CB -1.123 39.672 40.800 -0.009 0.000 0.912 278 D HN 0.463 8.836 8.370 0.006 0.000 0.452 279 I N -9.727 110.840 120.570 -0.006 0.000 4.147 279 I HA 0.371 nan 4.170 nan 0.000 0.329 279 I C -0.979 175.139 176.117 0.002 0.000 1.424 279 I CA -1.858 59.438 61.300 -0.007 0.000 1.127 279 I CB 0.751 38.739 38.000 -0.021 0.000 1.128 279 I HN -0.692 7.464 8.210 -0.006 0.051 0.417 280 A N 1.427 124.254 122.820 0.012 0.000 2.515 280 A HA -0.207 nan 4.320 nan 0.000 0.263 280 A C 0.232 177.831 177.584 0.025 0.000 1.096 280 A CA 1.293 53.346 52.037 0.026 0.000 0.769 280 A CB -1.363 17.662 19.000 0.041 0.000 1.040 280 A HN 0.020 8.049 8.150 0.013 0.129 0.505 281 G N 3.450 112.265 108.800 0.025 0.000 2.192 281 G HA2 -0.259 nan 3.960 nan 0.000 0.193 281 G HA3 -0.259 nan 3.960 nan 0.000 0.193 281 G C 0.097 175.008 174.900 0.018 0.000 0.999 281 G CA 0.083 45.198 45.100 0.024 0.000 0.659 281 G HN 0.115 8.852 8.290 0.025 -0.432 0.503 282 K N -0.338 120.070 120.400 0.014 0.000 2.354 282 K HA 0.146 nan 4.320 nan 0.000 0.194 282 K C 0.707 177.314 176.600 0.012 0.000 1.038 282 K CA -0.418 55.876 56.287 0.010 0.000 1.052 282 K CB 1.003 33.505 32.500 0.005 0.000 0.861 282 K HN -0.527 7.681 8.250 0.013 0.050 0.535 283 G N -1.051 107.758 108.800 0.015 0.000 2.176 283 G HA2 -0.366 nan 3.960 nan 0.000 0.232 283 G HA3 -0.366 nan 3.960 nan 0.000 0.232 283 G C -0.354 174.555 174.900 0.015 0.000 0.986 283 G CA 0.796 45.907 45.100 0.019 0.000 0.643 283 G HN -0.167 8.340 8.290 0.016 -0.207 0.522 284 I N -5.276 115.296 120.570 0.003 0.000 3.941 284 I HA 0.312 nan 4.170 nan 0.000 0.321 284 I C -1.303 174.798 176.117 -0.027 0.000 1.284 284 I CA -1.018 60.276 61.300 -0.009 0.000 1.226 284 I CB 0.301 38.292 38.000 -0.015 0.000 1.045 284 I HN -0.378 7.832 8.210 0.001 0.000 0.420 285 A N 0.861 123.667 122.820 -0.023 0.000 2.561 285 A HA -0.239 nan 4.320 nan 0.000 0.234 285 A C -0.918 176.634 177.584 -0.055 0.000 1.055 285 A CA 0.808 52.818 52.037 -0.044 0.000 0.756 285 A CB 0.316 19.303 19.000 -0.021 0.000 0.986 285 A HN -0.257 7.887 8.150 -0.009 0.000 0.505 286 N N 2.022 120.664 118.700 -0.097 0.000 2.422 286 N HA 0.182 nan 4.740 nan 0.000 0.264 286 N C -0.570 174.899 175.510 -0.069 0.000 1.063 286 N CA -3.322 49.635 53.050 -0.156 0.000 0.959 286 N CB 1.509 39.875 38.487 -0.201 0.000 1.087 286 N HN 0.136 8.448 8.380 -0.112 0.000 0.483 287 P HA 0.201 nan 4.420 nan 0.000 0.255 287 P C 0.754 178.118 177.300 0.106 0.000 1.248 287 P CA 0.484 63.640 63.100 0.092 0.000 0.807 287 P CB 0.690 32.493 31.700 0.172 0.000 1.150 288 T N 2.307 116.861 114.554 -0.000 0.000 2.685 288 T HA -0.377 nan 4.350 nan 0.000 0.268 288 T C 1.477 176.234 174.700 0.095 0.000 1.034 288 T CA 5.505 67.639 62.100 0.057 0.000 1.149 288 T CB -0.783 68.025 68.868 -0.101 0.000 0.860 288 T HN 0.174 8.583 8.240 -0.202 -0.290 0.449 289 A N -0.879 121.998 122.820 0.094 0.000 1.970 289 A HA -0.094 nan 4.320 nan 0.000 0.216 289 A C 1.343 178.953 177.584 0.044 0.000 1.170 289 A CA 2.491 54.572 52.037 0.073 0.000 0.645 289 A CB -0.919 18.113 19.000 0.053 0.000 0.816 289 A HN 0.182 8.394 8.150 0.103 0.000 0.447 290 A N 0.099 122.953 122.820 0.056 0.000 1.841 290 A HA -0.275 nan 4.320 nan 0.000 0.214 290 A C 1.928 179.544 177.584 0.054 0.000 1.195 290 A CA 2.814 54.878 52.037 0.044 0.000 0.611 290 A CB -0.840 18.200 19.000 0.067 0.000 0.835 290 A HN -0.559 7.647 8.150 0.095 0.000 0.443 291 I N -1.777 118.841 120.570 0.081 0.000 2.248 291 I HA -0.551 nan 4.170 nan 0.000 0.248 291 I C 1.894 178.049 176.117 0.064 0.000 1.107 291 I CA 4.226 65.570 61.300 0.073 0.000 1.373 291 I CB -0.099 37.969 38.000 0.113 0.000 1.055 291 I HN -0.111 8.163 8.210 0.107 0.000 0.418 292 L N -3.783 117.491 121.223 0.085 0.000 2.395 292 L HA -0.254 nan 4.340 nan 0.000 0.218 292 L C 1.973 178.883 176.870 0.067 0.000 1.130 292 L CA 2.439 57.331 54.840 0.087 0.000 0.826 292 L CB -0.579 41.556 42.059 0.126 0.000 0.941 292 L HN -0.092 8.131 8.230 0.100 0.067 0.451 293 S N 0.563 116.299 115.700 0.060 0.000 2.414 293 S HA -0.222 nan 4.470 nan 0.000 0.227 293 S C 1.625 176.221 174.600 -0.006 0.000 1.022 293 S CA 3.251 61.501 58.200 0.083 0.000 0.958 293 S CB -0.207 63.050 63.200 0.094 0.000 0.797 293 S HN -0.198 8.011 8.310 0.054 0.134 0.493 294 A N 1.730 124.532 122.820 -0.030 0.000 1.877 294 A HA -0.266 nan 4.320 nan 0.000 0.216 294 A C 1.532 179.049 177.584 -0.112 0.000 1.186 294 A CA 2.944 54.929 52.037 -0.087 0.000 0.620 294 A CB -0.883 18.090 19.000 -0.045 0.000 0.822 294 A HN -0.229 7.924 8.150 0.004 0.000 0.443 295 A N -2.542 120.247 122.820 -0.051 0.000 1.972 295 A HA -0.289 nan 4.320 nan 0.000 0.219 295 A C 1.986 179.521 177.584 -0.082 0.000 1.169 295 A CA 3.028 55.037 52.037 -0.046 0.000 0.635 295 A CB -0.766 18.234 19.000 -0.001 0.000 0.810 295 A HN -0.325 7.816 8.150 -0.016 0.000 0.446 296 M N -3.300 116.261 119.600 -0.066 0.000 2.562 296 M HA -0.235 nan 4.480 nan 0.000 0.257 296 M C 1.923 178.076 176.300 -0.246 0.000 1.099 296 M CA 2.902 58.202 55.300 -0.000 0.000 1.099 296 M CB -0.108 32.656 32.600 0.273 0.000 1.427 296 M HN -0.588 7.588 8.290 -0.025 0.098 0.489 297 M N 1.646 120.801 119.600 -0.741 0.000 2.216 297 M HA -0.246 nan 4.480 nan 0.000 0.264 297 M C 1.589 177.622 176.300 -0.445 0.000 1.080 297 M CA 3.857 58.406 55.300 -1.253 0.000 1.153 297 M CB 0.151 32.144 32.600 -1.012 0.000 1.356 297 M HN -0.463 7.350 8.290 -0.519 0.166 0.432 298 L N -1.096 120.021 121.223 -0.178 0.000 1.989 298 L HA -0.524 nan 4.340 nan 0.000 0.211 298 L C 2.057 178.888 176.870 -0.065 0.000 1.071 298 L CA 3.406 58.254 54.840 0.013 0.000 0.749 298 L CB -0.595 41.461 42.059 -0.006 0.000 0.890 298 L HN -0.032 8.074 8.230 -0.206 0.000 0.431 299 E N -1.612 118.491 120.200 -0.162 0.000 2.047 299 E HA -0.358 nan 4.350 nan 0.000 0.191 299 E C 2.590 178.998 176.600 -0.320 0.000 0.987 299 E CA 3.092 59.339 56.400 -0.255 0.000 0.799 299 E CB 0.053 29.534 29.700 -0.365 0.000 0.752 299 E HN -0.164 8.098 8.360 -0.162 0.000 0.449 300 H N -2.205 116.849 119.070 -0.027 0.000 2.553 300 H HA 0.012 nan 4.556 nan 0.000 0.276 300 H C 0.686 175.976 175.328 -0.064 0.000 0.979 300 H CA 1.781 57.838 56.048 0.015 0.000 1.268 300 H CB 0.624 30.471 29.762 0.141 0.000 1.450 300 H HN -0.175 7.895 8.280 -0.152 0.119 0.527 301 A N -1.729 121.011 122.820 -0.132 0.000 1.997 301 A HA -0.007 nan 4.320 nan 0.000 0.212 301 A C 0.425 177.414 177.584 -0.991 0.000 1.178 301 A CA 1.934 53.656 52.037 -0.525 0.000 0.698 301 A CB 0.724 19.273 19.000 -0.752 0.000 0.842 301 A HN 0.070 7.997 8.150 -0.188 0.111 0.458 302 F N -4.061 115.885 119.950 -0.007 0.000 2.688 302 F HA 0.280 nan 4.527 nan 0.000 0.310 302 F C 0.210 176.002 175.800 -0.013 0.000 1.098 302 F CA -1.035 56.958 58.000 -0.011 0.000 1.228 302 F CB 0.326 39.306 39.000 -0.033 0.000 1.042 302 F HN -0.258 7.827 8.300 -0.358 0.000 0.557 303 G N -0.763 108.057 108.800 0.034 0.000 2.166 303 G HA2 -0.430 nan 3.960 nan 0.000 0.260 303 G HA3 -0.430 nan 3.960 nan 0.000 0.260 303 G C -0.183 174.732 174.900 0.024 0.000 0.986 303 G CA 0.953 46.068 45.100 0.025 0.000 0.683 303 G HN -0.420 7.846 8.290 -0.041 0.000 0.527 304 L N 1.533 122.778 121.223 0.037 0.000 2.536 304 L HA 0.246 nan 4.340 nan 0.000 0.242 304 L C 0.367 177.229 176.870 -0.014 0.000 1.280 304 L CA -1.599 53.255 54.840 0.023 0.000 1.221 304 L CB -2.211 39.874 42.059 0.043 0.000 1.449 304 L HN -0.108 8.034 8.230 0.059 0.124 0.405 305 V N 3.201 123.099 119.914 -0.026 0.000 2.380 305 V HA -0.561 nan 4.120 nan 0.000 0.251 305 V C 1.543 177.619 176.094 -0.029 0.000 1.063 305 V CA 4.567 66.840 62.300 -0.044 0.000 1.055 305 V CB -0.732 31.068 31.823 -0.039 0.000 0.657 305 V HN 0.124 8.216 8.190 -0.017 0.088 0.455 306 E N -0.968 119.224 120.200 -0.014 0.000 2.106 306 E HA -0.279 nan 4.350 nan 0.000 0.192 306 E C 2.259 178.854 176.600 -0.008 0.000 0.984 306 E CA 2.707 59.102 56.400 -0.009 0.000 0.806 306 E CB -0.635 29.064 29.700 -0.003 0.000 0.750 306 E HN 0.064 8.409 8.360 -0.009 0.009 0.458 307 L N -0.028 121.190 121.223 -0.008 0.000 2.095 307 L HA -0.207 nan 4.340 nan 0.000 0.204 307 L C 1.877 178.741 176.870 -0.010 0.000 1.080 307 L CA 2.195 57.031 54.840 -0.007 0.000 0.759 307 L CB -0.090 41.965 42.059 -0.007 0.000 0.914 307 L HN -0.397 7.740 8.230 -0.008 0.089 0.439 308 A N -0.291 122.517 122.820 -0.021 0.000 1.892 308 A HA -0.402 nan 4.320 nan 0.000 0.218 308 A C 1.946 179.523 177.584 -0.011 0.000 1.188 308 A CA 3.459 55.480 52.037 -0.026 0.000 0.631 308 A CB -0.911 18.056 19.000 -0.055 0.000 0.822 308 A HN 0.312 8.448 8.150 -0.024 0.000 0.447 309 R N -3.873 116.620 120.500 -0.012 0.000 2.159 309 R HA -0.277 nan 4.340 nan 0.000 0.237 309 R C 2.580 178.886 176.300 0.010 0.000 1.131 309 R CA 2.487 58.587 56.100 0.000 0.000 0.982 309 R CB -0.615 29.682 30.300 -0.004 0.000 0.868 309 R HN -0.182 8.076 8.270 -0.020 0.000 0.453 310 K N 0.326 120.729 120.400 0.006 0.000 2.103 310 K HA -0.139 nan 4.320 nan 0.000 0.204 310 K C 2.326 178.932 176.600 0.011 0.000 1.052 310 K CA 3.205 59.497 56.287 0.009 0.000 0.945 310 K CB -0.042 32.462 32.500 0.006 0.000 0.722 310 K HN -0.411 7.706 8.250 0.000 0.133 0.443 311 V N 0.453 120.373 119.914 0.010 0.000 2.307 311 V HA -0.419 nan 4.120 nan 0.000 0.245 311 V C 1.875 177.990 176.094 0.035 0.000 1.045 311 V CA 4.696 67.004 62.300 0.013 0.000 1.024 311 V CB -0.847 30.981 31.823 0.009 0.000 0.651 311 V HN 0.251 8.444 8.190 0.005 0.000 0.449 312 E N -0.984 119.251 120.200 0.057 0.000 2.118 312 E HA -0.468 nan 4.350 nan 0.000 0.195 312 E C 2.459 179.135 176.600 0.126 0.000 0.992 312 E CA 3.584 60.056 56.400 0.120 0.000 0.804 312 E CB -0.488 29.281 29.700 0.115 0.000 0.741 312 E HN 0.244 8.628 8.360 0.040 0.000 0.458 313 D N 0.135 120.573 120.400 0.064 0.000 2.097 313 D HA -0.240 nan 4.640 nan 0.000 0.197 313 D C 1.939 178.216 176.300 -0.039 0.000 0.984 313 D CA 3.939 57.956 54.000 0.029 0.000 0.826 313 D CB -0.155 40.649 40.800 0.007 0.000 0.973 313 D HN -0.300 8.098 8.370 0.047 0.000 0.460 314 A N -0.809 121.986 122.820 -0.041 0.000 1.908 314 A HA -0.202 nan 4.320 nan 0.000 0.218 314 A C 2.243 179.747 177.584 -0.135 0.000 1.181 314 A CA 3.261 55.245 52.037 -0.087 0.000 0.627 314 A CB -0.542 18.450 19.000 -0.014 0.000 0.818 314 A HN -0.005 8.140 8.150 -0.008 0.000 0.445 315 V N -4.507 115.363 119.914 -0.074 0.000 2.667 315 V HA -0.277 nan 4.120 nan 0.000 0.252 315 V C 1.470 177.462 176.094 -0.169 0.000 1.065 315 V CA 2.486 64.738 62.300 -0.079 0.000 1.083 315 V CB -1.336 30.505 31.823 0.031 0.000 0.692 315 V HN 0.013 8.192 8.190 -0.020 0.000 0.468 316 A N 1.473 124.217 122.820 -0.127 0.000 1.845 316 A HA -0.303 nan 4.320 nan 0.000 0.215 316 A C 1.870 179.364 177.584 -0.149 0.000 1.195 316 A CA 3.432 55.383 52.037 -0.144 0.000 0.616 316 A CB -0.618 18.466 19.000 0.140 0.000 0.832 316 A HN 0.199 8.259 8.150 -0.007 0.086 0.443 317 K N -1.900 118.380 120.400 -0.200 0.000 2.074 317 K HA -0.386 nan 4.320 nan 0.000 0.209 317 K C 2.369 178.837 176.600 -0.220 0.000 1.048 317 K CA 2.741 58.844 56.287 -0.307 0.000 0.926 317 K CB -0.511 31.529 32.500 -0.768 0.000 0.713 317 K HN -0.114 8.019 8.250 -0.195 0.000 0.444 318 A N -0.661 122.034 122.820 -0.208 0.000 1.902 318 A HA -0.210 nan 4.320 nan 0.000 0.217 318 A C 2.201 179.843 177.584 0.096 0.000 1.181 318 A CA 3.037 55.008 52.037 -0.109 0.000 0.623 318 A CB -0.873 17.884 19.000 -0.404 0.000 0.818 318 A HN -0.014 7.970 8.150 -0.266 0.006 0.443 319 L N -2.598 118.691 121.223 0.109 0.000 2.191 319 L HA -0.348 nan 4.340 nan 0.000 0.212 319 L C 2.036 178.923 176.870 0.028 0.000 1.103 319 L CA 2.685 57.577 54.840 0.086 0.000 0.769 319 L CB -0.183 41.782 42.059 -0.157 0.000 0.908 319 L HN -0.264 7.877 8.230 -0.017 0.079 0.438 320 L N -0.610 120.612 121.223 -0.000 0.000 2.023 320 L HA -0.215 nan 4.340 nan 0.000 0.205 320 L C 1.519 178.408 176.870 0.032 0.000 1.073 320 L CA 2.921 57.767 54.840 0.011 0.000 0.745 320 L CB 0.353 42.410 42.059 -0.003 0.000 0.900 320 L HN -0.257 7.851 8.230 -0.035 0.101 0.435 321 E N -2.780 117.446 120.200 0.043 0.000 2.112 321 E HA -0.103 nan 4.350 nan 0.000 0.190 321 E C -0.005 176.638 176.600 0.071 0.000 0.979 321 E CA 1.653 58.089 56.400 0.060 0.000 0.814 321 E CB 1.105 30.856 29.700 0.085 0.000 0.762 321 E HN -0.030 8.347 8.360 0.028 0.000 0.460 322 T N -3.026 111.594 114.554 0.109 0.000 3.077 322 T HA 0.391 nan 4.350 nan 0.000 0.359 322 T C -2.656 172.150 174.700 0.175 0.000 1.108 322 T CA -2.869 59.309 62.100 0.130 0.000 1.170 322 T CB 0.695 69.652 68.868 0.149 0.000 1.045 322 T HN -0.060 8.262 8.240 0.136 0.000 0.505 323 P HA 0.349 nan 4.420 nan 0.000 0.271 323 P C -2.282 175.012 177.300 -0.011 0.000 1.218 323 P CA -1.826 61.285 63.100 0.018 0.000 0.780 323 P CB -0.633 31.067 31.700 -0.000 0.000 0.901 324 P HA 0.243 nan 4.420 nan 0.000 0.274 324 P C -0.866 176.392 177.300 -0.071 0.000 1.256 324 P CA -1.518 61.510 63.100 -0.120 0.000 0.795 324 P CB -0.877 30.661 31.700 -0.269 0.000 1.038 325 P HA -0.274 nan 4.420 nan 0.000 0.216 325 P C -0.002 177.273 177.300 -0.042 0.000 1.150 325 P CA 2.926 66.005 63.100 -0.034 0.000 0.843 325 P CB -0.100 31.584 31.700 -0.028 0.000 0.787 326 D N -4.636 115.727 120.400 -0.061 0.000 2.371 326 D HA -0.188 nan 4.640 nan 0.000 0.234 326 D C 0.067 176.338 176.300 -0.049 0.000 1.049 326 D CA 1.431 55.398 54.000 -0.055 0.000 0.907 326 D CB -1.184 39.575 40.800 -0.069 0.000 0.891 326 D HN 0.216 8.527 8.370 -0.077 0.014 0.531 327 L N -1.912 119.283 121.223 -0.047 0.000 3.366 327 L HA 0.224 nan 4.340 nan 0.000 0.304 327 L C -0.055 176.803 176.870 -0.019 0.000 1.292 327 L CA -0.525 54.295 54.840 -0.034 0.000 1.012 327 L CB 0.519 42.549 42.059 -0.049 0.000 1.414 327 L HN -0.371 7.746 8.230 -0.051 0.082 0.603 328 G N -1.102 107.689 108.800 -0.015 0.000 2.272 328 G HA2 -0.363 nan 3.960 nan 0.000 0.280 328 G HA3 -0.363 nan 3.960 nan 0.000 0.280 328 G C -0.864 174.034 174.900 -0.003 0.000 1.067 328 G CA 0.220 45.316 45.100 -0.006 0.000 0.902 328 G HN -0.128 8.150 8.290 -0.020 0.000 0.500 329 G N -1.497 107.299 108.800 -0.007 0.000 3.022 329 G HA2 0.436 nan 3.960 nan 0.000 0.284 329 G HA3 0.436 nan 3.960 nan 0.000 0.284 329 G C -1.621 173.280 174.900 0.002 0.000 1.375 329 G CA -0.466 44.636 45.100 0.002 0.000 0.902 329 G HN -0.794 7.487 8.290 -0.015 0.000 0.538 330 S N -2.573 113.135 115.700 0.013 0.000 2.847 330 S HA 0.089 nan 4.470 nan 0.000 0.254 330 S C -0.104 174.509 174.600 0.022 0.000 1.039 330 S CA -0.618 57.589 58.200 0.012 0.000 1.113 330 S CB 1.223 64.431 63.200 0.013 0.000 1.092 330 S HN 0.298 8.621 8.310 0.022 0.000 0.620 331 A N 4.131 126.974 122.820 0.038 0.000 2.438 331 A HA 0.024 nan 4.320 nan 0.000 0.280 331 A C -0.149 177.472 177.584 0.060 0.000 1.160 331 A CA 0.469 52.548 52.037 0.070 0.000 0.821 331 A CB -0.029 19.056 19.000 0.141 0.000 1.101 331 A HN -0.893 7.279 8.150 0.038 0.000 0.515 332 G N 3.180 112.014 108.800 0.056 0.000 2.631 332 G HA2 0.025 nan 3.960 nan 0.000 0.271 332 G HA3 0.025 nan 3.960 nan 0.000 0.271 332 G C 0.441 175.396 174.900 0.092 0.000 1.302 332 G CA -0.663 44.466 45.100 0.049 0.000 1.002 332 G HN -0.203 8.118 8.290 0.052 0.000 0.519 333 T N 2.181 116.780 114.554 0.075 0.000 2.699 333 T HA -0.462 nan 4.350 nan 0.000 0.268 333 T C 2.255 177.034 174.700 0.133 0.000 1.036 333 T CA 5.297 67.462 62.100 0.109 0.000 1.147 333 T CB -0.240 68.671 68.868 0.072 0.000 0.862 333 T HN 0.506 8.774 8.240 0.046 0.000 0.446 334 E N 1.183 121.434 120.200 0.086 0.000 2.060 334 E HA -0.261 nan 4.350 nan 0.000 0.189 334 E C 0.912 177.549 176.600 0.062 0.000 0.974 334 E CA 2.908 59.346 56.400 0.064 0.000 0.808 334 E CB -0.903 28.821 29.700 0.041 0.000 0.768 334 E HN 0.002 8.377 8.360 0.071 0.027 0.453 335 A N -0.313 122.548 122.820 0.068 0.000 2.024 335 A HA -0.232 nan 4.320 nan 0.000 0.220 335 A C 1.991 179.616 177.584 0.068 0.000 1.164 335 A CA 2.656 54.726 52.037 0.054 0.000 0.643 335 A CB -0.972 18.062 19.000 0.057 0.000 0.806 335 A HN -0.057 8.132 8.150 0.066 0.000 0.451 336 F N -1.341 118.609 119.950 -0.000 0.000 2.187 336 F HA -0.283 nan 4.527 nan 0.000 0.295 336 F C 1.378 177.180 175.800 0.002 0.000 1.091 336 F CA 3.397 61.395 58.000 -0.002 0.000 1.308 336 F CB 0.550 39.545 39.000 -0.009 0.000 1.030 336 F HN 0.271 8.710 8.300 0.245 0.008 0.487 337 T N 2.567 117.111 114.554 -0.017 0.000 2.833 337 T HA -0.459 nan 4.350 nan 0.000 0.269 337 T C 1.599 176.217 174.700 -0.138 0.000 1.054 337 T CA 4.986 67.034 62.100 -0.088 0.000 1.135 337 T CB -0.869 68.009 68.868 0.017 0.000 0.869 337 T HN 0.175 8.494 8.240 0.132 0.000 0.466 338 A N 0.824 123.585 122.820 -0.098 0.000 1.845 338 A HA -0.291 nan 4.320 nan 0.000 0.215 338 A C 1.426 178.935 177.584 -0.126 0.000 1.195 338 A CA 3.561 55.545 52.037 -0.087 0.000 0.616 338 A CB -1.057 17.911 19.000 -0.053 0.000 0.832 338 A HN 0.134 8.155 8.150 -0.054 0.097 0.443 339 T N -0.170 114.290 114.554 -0.156 0.000 2.881 339 T HA -0.234 nan 4.350 nan 0.000 0.270 339 T C 2.124 176.757 174.700 -0.112 0.000 1.068 339 T CA 3.719 65.735 62.100 -0.140 0.000 1.131 339 T CB -0.338 68.468 68.868 -0.104 0.000 0.871 339 T HN -0.555 7.594 8.240 -0.153 0.000 0.479 340 V N 2.433 122.197 119.914 -0.251 0.000 2.261 340 V HA -0.367 nan 4.120 nan 0.000 0.246 340 V C 2.233 178.288 176.094 -0.065 0.000 1.047 340 V CA 4.455 66.647 62.300 -0.179 0.000 1.015 340 V CB -0.837 30.829 31.823 -0.262 0.000 0.642 340 V HN -0.335 7.531 8.190 -0.396 0.086 0.446 341 L N -1.430 119.739 121.223 -0.089 0.000 2.046 341 L HA -0.394 nan 4.340 nan 0.000 0.208 341 L C 2.516 179.344 176.870 -0.069 0.000 1.077 341 L CA 3.199 58.002 54.840 -0.062 0.000 0.747 341 L CB -0.686 41.338 42.059 -0.059 0.000 0.896 341 L HN 0.143 8.235 8.230 -0.120 0.067 0.432 342 R N -0.983 119.449 120.500 -0.112 0.000 2.341 342 R HA -0.283 nan 4.340 nan 0.000 0.213 342 R C 0.832 176.974 176.300 -0.264 0.000 1.082 342 R CA 2.347 58.339 56.100 -0.179 0.000 1.017 342 R CB -0.180 29.996 30.300 -0.208 0.000 0.860 342 R HN 0.398 8.477 8.270 -0.116 0.122 0.473 343 H N -4.231 114.798 119.070 -0.068 0.000 2.755 343 H HA 0.063 nan 4.556 nan 0.000 0.273 343 H C 0.112 175.415 175.328 -0.043 0.000 1.055 343 H CA 0.717 56.734 56.048 -0.053 0.000 1.191 343 H CB 1.038 30.765 29.762 -0.057 0.000 1.536 343 H HN -0.285 7.828 8.280 -0.009 0.161 0.529 344 L N -1.184 120.061 121.223 0.037 0.000 2.567 344 L HA 0.033 nan 4.340 nan 0.000 0.225 344 L C -0.547 176.324 176.870 0.001 0.000 1.119 344 L CA -0.681 54.169 54.840 0.017 0.000 0.871 344 L CB -0.184 41.874 42.059 -0.001 0.000 1.036 344 L HN -0.257 7.790 8.230 0.003 0.186 0.459 345 A N 0.000 122.812 122.820 -0.013 0.000 2.254 345 A HA 0.000 nan 4.320 nan 0.000 0.244 345 A CA 0.000 52.025 52.037 -0.020 0.000 0.836 345 A CB 0.000 18.979 19.000 -0.035 0.000 0.831 345 A HN 0.000 8.076 8.150 -0.023 0.060 0.486