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 1osj_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKVAVLPGDG IGPEVTEAAL KVLRALDEAE GLGLAYEVFP FGGAAIDAFG DATA SEQUENCE EPFPEPTRKG VEEAEAVLLG SVGGPKWDGL PRKIRPETGL LSLRKSQDLF DATA SEQUENCE ANLRPAKVFP GLERLSPLKE EIARGVDVLI VRELTGGIYF GEPRGMSEAE DATA SEQUENCE AWNTERYSKP EVERVARVAF ELARKRRKHV 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 0.000 176.230 176.300 -0.117 0.000 1.140 1 M CA 0.000 55.081 55.300 -0.364 0.000 0.988 1 M CB 0.000 31.875 32.600 -1.208 0.000 1.302 2 K N 4.767 125.223 120.400 0.094 0.000 2.316 2 K HA 0.470 nan 4.320 nan 0.000 0.289 2 K C -1.389 175.355 176.600 0.241 0.000 1.070 2 K CA -0.184 56.193 56.287 0.151 0.000 0.928 2 K CB 0.322 32.910 32.500 0.147 0.000 1.039 2 K HN -0.020 8.534 8.250 0.170 -0.202 0.480 3 V N 5.041 125.095 119.914 0.232 0.000 2.555 3 V HA 0.669 nan 4.120 nan 0.000 0.302 3 V C -1.801 174.459 176.094 0.277 0.000 1.038 3 V CA -1.823 60.634 62.300 0.262 0.000 0.887 3 V CB 3.075 35.034 31.823 0.227 0.000 0.991 3 V HN 0.723 9.040 8.190 0.212 0.000 0.434 4 A N 6.173 129.141 122.820 0.247 0.000 2.258 4 A HA 0.749 nan 4.320 nan 0.000 0.316 4 A C -1.823 175.904 177.584 0.238 0.000 1.279 4 A CA -1.718 50.503 52.037 0.307 0.000 0.876 4 A CB 1.509 20.605 19.000 0.160 0.000 1.170 4 A HN 0.608 8.882 8.150 0.207 0.000 0.520 5 V N 4.769 124.850 119.914 0.278 0.000 2.333 5 V HA 0.466 nan 4.120 nan 0.000 0.274 5 V C -1.317 174.878 176.094 0.168 0.000 1.028 5 V CA -0.718 61.675 62.300 0.155 0.000 0.851 5 V CB 0.483 32.355 31.823 0.082 0.000 1.000 5 V HN 0.965 9.376 8.190 0.369 0.000 0.456 6 L N 8.418 129.685 121.223 0.073 0.000 2.360 6 L HA 0.601 nan 4.340 nan 0.000 0.265 6 L C -1.752 175.159 176.870 0.068 0.000 1.066 6 L CA -3.331 51.538 54.840 0.048 0.000 0.929 6 L CB -1.279 40.634 42.059 -0.244 0.000 1.306 6 L HN 0.523 8.766 8.230 0.022 0.000 0.434 7 P HA -0.157 nan 4.420 nan 0.000 0.216 7 P C -0.314 177.064 177.300 0.130 0.000 1.150 7 P CA 1.222 64.384 63.100 0.104 0.000 0.837 7 P CB 0.376 32.136 31.700 0.100 0.000 0.786 8 G N -3.243 105.660 108.800 0.172 0.000 2.512 8 G HA2 -0.429 nan 3.960 nan 0.000 0.254 8 G HA3 -0.429 nan 3.960 nan 0.000 0.254 8 G C -1.181 173.778 174.900 0.100 0.000 1.199 8 G CA -0.370 44.830 45.100 0.166 0.000 0.941 8 G HN -0.089 8.301 8.290 0.197 0.018 0.569 9 D N 2.145 122.597 120.400 0.087 0.000 2.621 9 D HA 0.269 nan 4.640 nan 0.000 0.255 9 D C 0.501 176.890 176.300 0.148 0.000 1.122 9 D CA -0.412 53.661 54.000 0.122 0.000 1.096 9 D CB 2.278 43.151 40.800 0.121 0.000 1.282 9 D HN 0.319 8.616 8.370 0.092 0.129 0.619 10 G N 0.371 109.276 108.800 0.174 0.000 2.651 10 G HA2 -0.357 nan 3.960 nan 0.000 0.315 10 G HA3 -0.357 nan 3.960 nan 0.000 0.315 10 G C 1.168 176.124 174.900 0.093 0.000 1.258 10 G CA 1.457 46.634 45.100 0.129 0.000 1.002 10 G HN 0.138 8.565 8.290 0.229 0.000 0.551 11 I N -1.558 119.052 120.570 0.067 0.000 3.291 11 I HA -0.002 nan 4.170 nan 0.000 0.279 11 I C 1.444 177.609 176.117 0.080 0.000 1.294 11 I CA 0.880 62.205 61.300 0.041 0.000 1.428 11 I CB -0.615 37.366 38.000 -0.032 0.000 1.070 11 I HN 0.130 8.264 8.210 0.061 0.113 0.478 12 G N 1.769 110.640 108.800 0.118 0.000 2.599 12 G HA2 -0.303 nan 3.960 nan 0.000 0.219 12 G HA3 -0.303 nan 3.960 nan 0.000 0.219 12 G C -1.532 173.432 174.900 0.107 0.000 1.193 12 G CA 3.409 48.590 45.100 0.135 0.000 0.778 12 G HN 0.369 8.660 8.290 0.120 0.070 0.589 13 P HA -0.191 nan 4.420 nan 0.000 0.217 13 P C 1.667 179.006 177.300 0.065 0.000 1.150 13 P CA 2.821 65.968 63.100 0.079 0.000 0.832 13 P CB -0.210 31.539 31.700 0.081 0.000 0.787 14 E N -1.468 118.769 120.200 0.063 0.000 2.017 14 E HA -0.346 nan 4.350 nan 0.000 0.193 14 E C 2.523 179.158 176.600 0.058 0.000 0.997 14 E CA 3.232 59.664 56.400 0.053 0.000 0.804 14 E CB -0.231 29.493 29.700 0.040 0.000 0.757 14 E HN -0.467 7.850 8.360 0.066 0.082 0.448 15 V N -4.935 115.021 119.914 0.071 0.000 2.407 15 V HA -0.301 nan 4.120 nan 0.000 0.248 15 V C 2.069 178.210 176.094 0.079 0.000 1.055 15 V CA 4.166 66.520 62.300 0.089 0.000 1.049 15 V CB -1.284 30.624 31.823 0.142 0.000 0.662 15 V HN -0.164 8.070 8.190 0.073 0.000 0.455 16 T N 2.441 117.036 114.554 0.068 0.000 2.788 16 T HA -0.309 nan 4.350 nan 0.000 0.268 16 T C 1.797 176.500 174.700 0.005 0.000 1.044 16 T CA 4.977 67.099 62.100 0.037 0.000 1.139 16 T CB -0.709 68.182 68.868 0.038 0.000 0.867 16 T HN -0.017 8.270 8.240 0.079 0.000 0.454 17 E N 1.512 121.724 120.200 0.020 0.000 2.106 17 E HA -0.258 nan 4.350 nan 0.000 0.192 17 E C 1.468 178.076 176.600 0.013 0.000 0.984 17 E CA 2.405 58.810 56.400 0.008 0.000 0.806 17 E CB -0.683 29.034 29.700 0.029 0.000 0.750 17 E HN -0.406 7.878 8.360 0.038 0.099 0.458 18 A N -0.976 121.867 122.820 0.039 0.000 1.908 18 A HA -0.258 nan 4.320 nan 0.000 0.218 18 A C 2.095 179.704 177.584 0.041 0.000 1.181 18 A CA 3.070 55.141 52.037 0.057 0.000 0.627 18 A CB -0.960 18.098 19.000 0.097 0.000 0.818 18 A HN -0.419 7.681 8.150 0.048 0.079 0.445 19 A N -2.129 120.710 122.820 0.031 0.000 1.969 19 A HA -0.228 nan 4.320 nan 0.000 0.218 19 A C 2.074 179.635 177.584 -0.037 0.000 1.169 19 A CA 2.740 54.784 52.037 0.011 0.000 0.635 19 A CB -0.762 18.246 19.000 0.013 0.000 0.810 19 A HN -0.382 7.791 8.150 0.038 0.000 0.445 20 L N -2.168 119.010 121.223 -0.076 0.000 2.093 20 L HA -0.440 nan 4.340 nan 0.000 0.208 20 L C 2.168 178.995 176.870 -0.072 0.000 1.085 20 L CA 2.812 57.561 54.840 -0.152 0.000 0.755 20 L CB -0.327 41.583 42.059 -0.247 0.000 0.904 20 L HN -0.269 7.814 8.230 -0.059 0.112 0.435 21 K N -0.326 120.058 120.400 -0.027 0.000 2.057 21 K HA -0.369 nan 4.320 nan 0.000 0.207 21 K C 2.463 179.059 176.600 -0.006 0.000 1.049 21 K CA 3.706 59.991 56.287 -0.002 0.000 0.931 21 K CB -0.303 32.202 32.500 0.009 0.000 0.714 21 K HN -0.288 7.950 8.250 -0.020 0.000 0.440 22 V N 0.349 120.258 119.914 -0.009 0.000 2.295 22 V HA -0.342 nan 4.120 nan 0.000 0.246 22 V C 1.922 178.006 176.094 -0.016 0.000 1.049 22 V CA 4.482 66.776 62.300 -0.010 0.000 1.024 22 V CB -0.697 31.125 31.823 -0.002 0.000 0.648 22 V HN -0.650 7.453 8.190 -0.006 0.083 0.447 23 L N -2.325 118.882 121.223 -0.028 0.000 2.046 23 L HA -0.465 nan 4.340 nan 0.000 0.208 23 L C 2.324 179.188 176.870 -0.010 0.000 1.077 23 L CA 3.417 58.238 54.840 -0.031 0.000 0.747 23 L CB -0.730 41.295 42.059 -0.057 0.000 0.896 23 L HN -0.264 7.944 8.230 -0.038 0.000 0.432 24 R N -1.844 118.660 120.500 0.007 0.000 2.096 24 R HA -0.371 nan 4.340 nan 0.000 0.235 24 R C 2.173 178.482 176.300 0.016 0.000 1.127 24 R CA 3.550 59.673 56.100 0.038 0.000 0.968 24 R CB -0.359 29.982 30.300 0.068 0.000 0.861 24 R HN 0.354 8.620 8.270 -0.008 0.000 0.440 25 A N 0.703 123.525 122.820 0.004 0.000 1.858 25 A HA -0.207 nan 4.320 nan 0.000 0.216 25 A C 2.127 179.705 177.584 -0.009 0.000 1.190 25 A CA 3.110 55.144 52.037 -0.004 0.000 0.617 25 A CB -0.751 18.243 19.000 -0.010 0.000 0.827 25 A HN -0.318 7.822 8.150 0.001 0.011 0.443 26 L N -2.281 118.935 121.223 -0.013 0.000 2.079 26 L HA -0.403 nan 4.340 nan 0.000 0.210 26 L C 2.155 179.014 176.870 -0.019 0.000 1.081 26 L CA 2.678 57.507 54.840 -0.018 0.000 0.752 26 L CB -1.125 40.920 42.059 -0.022 0.000 0.896 26 L HN -0.279 7.943 8.230 -0.013 0.000 0.433 27 D N -1.221 119.169 120.400 -0.017 0.000 2.097 27 D HA -0.334 nan 4.640 nan 0.000 0.195 27 D C 2.274 178.566 176.300 -0.014 0.000 0.989 27 D CA 3.618 57.607 54.000 -0.019 0.000 0.827 27 D CB 0.173 40.970 40.800 -0.005 0.000 0.966 27 D HN -0.070 8.207 8.370 -0.012 0.085 0.456 28 E N -0.825 119.371 120.200 -0.006 0.000 2.051 28 E HA -0.304 nan 4.350 nan 0.000 0.192 28 E C 2.047 178.641 176.600 -0.010 0.000 0.991 28 E CA 2.369 58.765 56.400 -0.007 0.000 0.799 28 E CB 0.157 29.855 29.700 -0.003 0.000 0.748 28 E HN -0.380 7.979 8.360 -0.002 0.000 0.449 29 A N -1.918 120.895 122.820 -0.011 0.000 1.933 29 A HA -0.181 nan 4.320 nan 0.000 0.218 29 A C 1.538 179.114 177.584 -0.013 0.000 1.175 29 A CA 2.228 54.258 52.037 -0.012 0.000 0.628 29 A CB 0.297 19.289 19.000 -0.013 0.000 0.814 29 A HN -0.238 7.906 8.150 -0.011 0.000 0.444 30 E N -4.421 115.770 120.200 -0.016 0.000 2.601 30 E HA 0.087 nan 4.350 nan 0.000 0.219 30 E C -0.084 176.504 176.600 -0.019 0.000 0.964 30 E CA -1.027 55.364 56.400 -0.016 0.000 1.050 30 E CB 1.246 30.935 29.700 -0.017 0.000 1.068 30 E HN -0.430 7.919 8.360 -0.017 0.000 0.496 31 G N 0.504 109.292 108.800 -0.020 0.000 2.351 31 G HA2 -0.333 nan 3.960 nan 0.000 0.297 31 G HA3 -0.333 nan 3.960 nan 0.000 0.297 31 G C 0.026 174.907 174.900 -0.032 0.000 1.054 31 G CA 0.892 45.978 45.100 -0.023 0.000 1.123 31 G HN 0.188 8.384 8.290 -0.019 0.083 0.512 32 L N -1.031 120.166 121.223 -0.044 0.000 2.376 32 L HA -0.109 nan 4.340 nan 0.000 0.219 32 L C 1.209 178.028 176.870 -0.085 0.000 1.133 32 L CA 0.308 55.106 54.840 -0.069 0.000 0.816 32 L CB 0.119 42.123 42.059 -0.092 0.000 0.933 32 L HN -0.426 7.850 8.230 -0.039 -0.069 0.449 33 G N -2.173 106.589 108.800 -0.063 0.000 2.182 33 G HA2 -0.386 nan 3.960 nan 0.000 0.248 33 G HA3 -0.386 nan 3.960 nan 0.000 0.248 33 G C -0.584 174.268 174.900 -0.079 0.000 1.042 33 G CA -0.028 45.035 45.100 -0.060 0.000 0.775 33 G HN -0.451 7.865 8.290 -0.048 -0.055 0.501 34 L N -0.755 120.424 121.223 -0.073 0.000 2.453 34 L HA -0.017 nan 4.340 nan 0.000 0.272 34 L C -1.408 175.458 176.870 -0.008 0.000 1.182 34 L CA 0.718 55.525 54.840 -0.055 0.000 0.858 34 L CB 0.586 42.642 42.059 -0.004 0.000 1.120 34 L HN -0.551 7.985 8.230 -0.058 -0.341 0.474 35 A N 6.847 129.675 122.820 0.014 0.000 2.446 35 A HA 0.351 nan 4.320 nan 0.000 0.282 35 A C -2.943 174.687 177.584 0.078 0.000 1.102 35 A CA -0.460 51.571 52.037 -0.010 0.000 0.737 35 A CB 2.180 21.171 19.000 -0.014 0.000 1.212 35 A HN 0.549 8.708 8.150 0.015 0.000 0.434 36 Y N -1.201 119.107 120.300 0.014 0.000 2.602 36 Y HA 1.002 nan 4.550 nan 0.000 0.342 36 Y C -2.016 173.896 175.900 0.021 0.000 1.029 36 Y CA -2.514 55.611 58.100 0.040 0.000 1.080 36 Y CB 2.969 41.451 38.460 0.037 0.000 1.284 36 Y HN -0.029 8.024 8.280 -0.380 0.000 0.485 37 E N 0.155 120.510 120.200 0.257 0.000 2.321 37 E HA 0.292 nan 4.350 nan 0.000 0.278 37 E C -2.477 174.124 176.600 0.002 0.000 0.902 37 E CA -1.389 55.016 56.400 0.008 0.000 0.758 37 E CB 4.355 33.974 29.700 -0.136 0.000 1.213 37 E HN 0.157 8.744 8.360 0.378 0.000 0.426 38 V N 0.714 120.556 119.914 -0.120 0.000 2.509 38 V HA 0.815 nan 4.120 nan 0.000 0.284 38 V C -1.724 174.180 176.094 -0.317 0.000 1.047 38 V CA -1.476 60.792 62.300 -0.054 0.000 0.952 38 V CB 0.672 32.524 31.823 0.049 0.000 0.988 38 V HN 0.247 8.358 8.190 -0.132 0.000 0.469 39 F N 6.493 126.497 119.950 0.089 0.000 2.563 39 F HA 0.498 nan 4.527 nan 0.000 0.316 39 F C -2.099 173.764 175.800 0.104 0.000 1.076 39 F CA -2.913 55.134 58.000 0.078 0.000 0.921 39 F CB 2.701 41.734 39.000 0.055 0.000 1.209 39 F HN 0.510 8.997 8.300 0.312 0.000 0.462 40 P HA 0.052 nan 4.420 nan 0.000 0.271 40 P C -2.191 175.280 177.300 0.284 0.000 1.216 40 P CA -0.135 63.103 63.100 0.231 0.000 0.776 40 P CB 0.692 32.531 31.700 0.231 0.000 0.881 41 F N 2.198 122.174 119.950 0.043 0.000 2.688 41 F HA 0.152 nan 4.527 nan 0.000 0.308 41 F C -1.362 174.394 175.800 -0.074 0.000 1.117 41 F CA -0.524 57.483 58.000 0.013 0.000 0.976 41 F CB 3.625 42.647 39.000 0.037 0.000 1.291 41 F HN -0.330 8.108 8.300 0.230 0.000 0.439 42 G N 4.993 113.292 108.800 -0.834 0.000 2.525 42 G HA2 -0.470 nan 3.960 nan 0.000 0.248 42 G HA3 -0.470 nan 3.960 nan 0.000 0.248 42 G C -0.216 174.289 174.900 -0.659 0.000 1.238 42 G CA -0.046 44.621 45.100 -0.721 0.000 0.926 42 G HN 0.456 7.925 8.290 -1.208 0.096 0.574 43 G N 1.380 109.590 108.800 -0.984 0.000 2.469 43 G HA2 -0.442 nan 3.960 nan 0.000 0.220 43 G HA3 -0.442 nan 3.960 nan 0.000 0.220 43 G C 0.708 175.097 174.900 -0.852 0.000 1.136 43 G CA 1.981 45.935 45.100 -1.910 0.000 0.759 43 G HN -0.124 7.940 8.290 -0.837 -0.276 0.562 44 A N 1.120 123.720 122.820 -0.368 0.000 1.933 44 A HA -0.166 nan 4.320 nan 0.000 0.218 44 A C 0.982 178.596 177.584 0.050 0.000 1.175 44 A CA 2.618 54.638 52.037 -0.028 0.000 0.628 44 A CB -0.801 18.232 19.000 0.055 0.000 0.814 44 A HN -0.102 8.003 8.150 -0.370 -0.177 0.444 45 A N -2.593 120.225 122.820 -0.004 0.000 1.968 45 A HA -0.182 nan 4.320 nan 0.000 0.217 45 A C 1.897 179.582 177.584 0.167 0.000 1.169 45 A CA 2.211 54.331 52.037 0.139 0.000 0.638 45 A CB -0.143 18.855 19.000 -0.004 0.000 0.812 45 A HN -0.603 7.357 8.150 -0.131 0.112 0.446 46 I N -1.077 119.469 120.570 -0.040 0.000 2.142 46 I HA -0.619 nan 4.170 nan 0.000 0.240 46 I C 1.992 178.177 176.117 0.113 0.000 1.078 46 I CA 4.329 65.629 61.300 -0.000 0.000 1.343 46 I CB -0.375 37.538 38.000 -0.145 0.000 1.046 46 I HN -0.253 7.743 8.210 -0.214 0.085 0.405 47 D N -0.089 120.397 120.400 0.144 0.000 2.354 47 D HA -0.246 nan 4.640 nan 0.000 0.216 47 D C 0.141 176.499 176.300 0.098 0.000 0.970 47 D CA 2.987 57.097 54.000 0.183 0.000 0.905 47 D CB -0.494 40.453 40.800 0.245 0.000 0.903 47 D HN -0.221 8.198 8.370 0.081 0.000 0.508 48 A N -4.725 118.148 122.820 0.088 0.000 2.653 48 A HA 0.114 nan 4.320 nan 0.000 0.248 48 A C -0.325 177.010 177.584 -0.415 0.000 1.211 48 A CA 0.605 52.562 52.037 -0.134 0.000 0.991 48 A CB 1.504 20.411 19.000 -0.154 0.000 1.252 48 A HN -0.628 7.446 8.150 0.187 0.189 0.593 49 F N -3.315 116.652 119.950 0.028 0.000 2.880 49 F HA 0.283 nan 4.527 nan 0.000 0.346 49 F C 0.657 176.465 175.800 0.013 0.000 1.054 49 F CA 0.602 58.614 58.000 0.020 0.000 1.151 49 F CB 1.973 40.984 39.000 0.019 0.000 1.066 49 F HN 0.131 8.472 8.300 0.248 0.108 0.566 50 G N -1.213 107.688 108.800 0.167 0.000 2.225 50 G HA2 -0.389 nan 3.960 nan 0.000 0.254 50 G HA3 -0.389 nan 3.960 nan 0.000 0.254 50 G C -1.410 173.541 174.900 0.086 0.000 0.988 50 G CA 0.344 45.508 45.100 0.106 0.000 0.625 50 G HN 0.097 8.380 8.290 0.164 0.105 0.527 51 E N -1.705 118.553 120.200 0.097 0.000 2.367 51 E HA 0.353 nan 4.350 nan 0.000 0.273 51 E C -2.521 174.069 176.600 -0.015 0.000 0.903 51 E CA -3.752 52.667 56.400 0.033 0.000 0.764 51 E CB 1.544 31.266 29.700 0.035 0.000 1.252 51 E HN -0.702 7.669 8.360 0.169 0.091 0.446 52 P HA -0.006 nan 4.420 nan 0.000 0.233 52 P C -1.657 175.541 177.300 -0.170 0.000 1.167 52 P CA 1.395 64.350 63.100 -0.242 0.000 0.770 52 P CB 0.661 32.149 31.700 -0.354 0.000 0.837 53 F N -0.646 119.192 119.950 -0.186 0.000 2.708 53 F HA 0.447 nan 4.527 nan 0.000 0.344 53 F C -3.414 172.341 175.800 -0.075 0.000 1.447 53 F CA -4.691 53.280 58.000 -0.048 0.000 1.140 53 F CB 0.240 39.264 39.000 0.040 0.000 1.657 53 F HN -0.488 7.806 8.300 0.068 0.046 0.598 54 P HA 0.044 nan 4.420 nan 0.000 0.272 54 P C 0.214 177.248 177.300 -0.442 0.000 1.240 54 P CA -0.453 62.439 63.100 -0.346 0.000 0.791 54 P CB 1.048 32.383 31.700 -0.609 0.000 0.978 55 E N 0.535 120.555 120.200 -0.301 0.000 2.097 55 E HA -0.329 nan 4.350 nan 0.000 0.196 55 E C 0.068 176.517 176.600 -0.251 0.000 1.000 55 E CA 5.307 61.548 56.400 -0.264 0.000 0.804 55 E CB -1.578 28.043 29.700 -0.131 0.000 0.740 55 E HN 0.696 8.936 8.360 -0.201 0.000 0.454 56 P HA -0.118 nan 4.420 nan 0.000 0.217 56 P C 1.664 178.855 177.300 -0.181 0.000 1.150 56 P CA 2.781 65.831 63.100 -0.083 0.000 0.832 56 P CB -0.526 31.185 31.700 0.018 0.000 0.787 57 T N 1.560 115.949 114.554 -0.275 0.000 2.857 57 T HA -0.144 nan 4.350 nan 0.000 0.266 57 T C 2.321 176.744 174.700 -0.461 0.000 1.048 57 T CA 4.581 66.474 62.100 -0.345 0.000 1.139 57 T CB -0.526 68.327 68.868 -0.026 0.000 0.874 57 T HN -0.518 7.533 8.240 -0.316 0.000 0.455 58 R N 1.624 121.736 120.500 -0.646 0.000 2.070 58 R HA -0.376 nan 4.340 nan 0.000 0.233 58 R C 2.256 178.360 176.300 -0.327 0.000 1.137 58 R CA 3.795 59.493 56.100 -0.670 0.000 0.945 58 R CB -0.185 29.653 30.300 -0.770 0.000 0.845 58 R HN 0.054 7.847 8.270 -0.665 0.077 0.430 59 K N -1.226 118.998 120.400 -0.294 0.000 2.147 59 K HA -0.219 nan 4.320 nan 0.000 0.205 59 K C 2.342 178.804 176.600 -0.230 0.000 1.049 59 K CA 2.636 58.808 56.287 -0.192 0.000 0.936 59 K CB -0.707 31.718 32.500 -0.123 0.000 0.722 59 K HN 0.090 8.152 8.250 -0.313 0.000 0.446 60 G N -0.995 107.525 108.800 -0.467 0.000 2.421 60 G HA2 -0.276 nan 3.960 nan 0.000 0.216 60 G HA3 -0.276 nan 3.960 nan 0.000 0.216 60 G C 1.218 175.868 174.900 -0.417 0.000 1.171 60 G CA 2.100 46.761 45.100 -0.732 0.000 0.775 60 G HN -0.444 7.426 8.290 -0.540 0.096 0.543 61 V N 1.970 121.680 119.914 -0.341 0.000 2.287 61 V HA -0.416 nan 4.120 nan 0.000 0.248 61 V C 2.050 178.103 176.094 -0.069 0.000 1.053 61 V CA 3.447 65.667 62.300 -0.134 0.000 1.027 61 V CB -0.684 31.134 31.823 -0.008 0.000 0.646 61 V HN 0.032 7.980 8.190 -0.402 0.000 0.447 62 E N -1.241 118.917 120.200 -0.071 0.000 2.033 62 E HA -0.319 nan 4.350 nan 0.000 0.199 62 E C 2.114 178.704 176.600 -0.017 0.000 1.011 62 E CA 2.506 58.884 56.400 -0.036 0.000 0.815 62 E CB 0.021 29.695 29.700 -0.043 0.000 0.755 62 E HN -0.381 7.917 8.360 -0.103 0.000 0.451 63 E N -2.385 117.803 120.200 -0.020 0.000 2.160 63 E HA -0.264 nan 4.350 nan 0.000 0.195 63 E C 0.249 176.878 176.600 0.049 0.000 0.991 63 E CA 1.385 57.795 56.400 0.018 0.000 0.810 63 E CB 0.129 29.846 29.700 0.029 0.000 0.742 63 E HN -0.514 7.816 8.360 -0.050 0.000 0.466 64 A N -1.720 121.131 122.820 0.050 0.000 2.386 64 A HA -0.095 nan 4.320 nan 0.000 0.246 64 A C -0.121 177.524 177.584 0.103 0.000 1.089 64 A CA 0.004 52.102 52.037 0.101 0.000 0.790 64 A CB 0.391 19.456 19.000 0.109 0.000 1.042 64 A HN -0.628 7.501 8.150 0.011 0.028 0.497 65 E N -1.299 119.001 120.200 0.167 0.000 2.460 65 E HA 0.051 nan 4.350 nan 0.000 0.200 65 E C -0.990 175.655 176.600 0.076 0.000 1.011 65 E CA 0.482 56.967 56.400 0.141 0.000 0.912 65 E CB 0.970 30.839 29.700 0.282 0.000 0.953 65 E HN 0.324 8.712 8.360 0.225 0.108 0.494 66 A N -2.749 120.167 122.820 0.159 0.000 2.597 66 A HA 0.387 nan 4.320 nan 0.000 0.292 66 A C -2.557 175.138 177.584 0.185 0.000 1.057 66 A CA -0.099 52.045 52.037 0.180 0.000 0.674 66 A CB 3.422 22.555 19.000 0.221 0.000 1.278 66 A HN -0.697 7.526 8.150 0.196 0.046 0.416 67 V N -0.205 119.810 119.914 0.168 0.000 2.540 67 V HA 0.742 nan 4.120 nan 0.000 0.302 67 V C -1.976 174.208 176.094 0.149 0.000 1.035 67 V CA -0.993 61.361 62.300 0.089 0.000 0.873 67 V CB 2.952 34.739 31.823 -0.060 0.000 0.992 67 V HN 0.352 8.665 8.190 0.205 0.000 0.428 68 L N 7.924 129.212 121.223 0.109 0.000 2.276 68 L HA 0.825 nan 4.340 nan 0.000 0.286 68 L C -2.398 174.487 176.870 0.024 0.000 1.024 68 L CA -1.149 53.750 54.840 0.099 0.000 0.826 68 L CB 2.100 44.199 42.059 0.067 0.000 1.211 68 L HN 0.585 8.872 8.230 0.095 0.000 0.422 69 L N 6.756 127.977 121.223 -0.004 0.000 2.325 69 L HA 0.663 nan 4.340 nan 0.000 0.278 69 L C -1.203 175.667 176.870 0.001 0.000 1.023 69 L CA -1.530 53.278 54.840 -0.054 0.000 0.811 69 L CB 3.071 45.050 42.059 -0.132 0.000 1.249 69 L HN 0.587 8.834 8.230 0.028 0.000 0.431 70 G N 2.593 111.414 108.800 0.035 0.000 3.286 70 G HA2 0.326 nan 3.960 nan 0.000 0.173 70 G HA3 0.326 nan 3.960 nan 0.000 0.173 70 G C -1.092 173.859 174.900 0.086 0.000 1.704 70 G CA -0.044 45.100 45.100 0.074 0.000 1.041 70 G HN 0.541 8.854 8.290 0.039 0.000 0.561 71 S N -0.183 115.597 115.700 0.133 0.000 2.664 71 S HA 0.455 nan 4.470 nan 0.000 0.304 71 S C -1.178 173.498 174.600 0.127 0.000 1.099 71 S CA -1.083 57.200 58.200 0.139 0.000 1.003 71 S CB 3.330 66.646 63.200 0.193 0.000 1.092 71 S HN -0.474 7.920 8.310 0.141 0.000 0.525 72 V N -0.992 118.981 119.914 0.099 0.000 2.971 72 V HA 0.650 nan 4.120 nan 0.000 0.309 72 V C -0.780 175.334 176.094 0.034 0.000 1.130 72 V CA -0.797 61.521 62.300 0.031 0.000 0.964 72 V CB 3.878 35.706 31.823 0.008 0.000 1.029 72 V HN 0.362 8.611 8.190 0.098 0.000 0.427 73 G N 4.470 113.274 108.800 0.007 0.000 2.587 73 G HA2 -0.141 nan 3.960 nan 0.000 0.686 73 G HA3 -0.141 nan 3.960 nan 0.000 0.686 73 G C -2.070 173.054 174.900 0.373 0.000 1.236 73 G CA 0.070 45.258 45.100 0.146 0.000 0.820 73 G HN 0.726 9.257 8.290 -0.125 -0.316 0.645 74 G N -1.425 107.648 108.800 0.455 0.000 2.341 74 G HA2 0.180 nan 3.960 nan 0.000 0.300 74 G HA3 0.180 nan 3.960 nan 0.000 0.300 74 G C -2.482 172.491 174.900 0.121 0.000 1.706 74 G CA -0.181 45.118 45.100 0.332 0.000 0.916 74 G HN -0.472 8.054 8.290 0.393 0.000 0.716 75 P HA -0.368 nan 4.420 nan 0.000 0.218 75 P C 1.260 178.424 177.300 -0.226 0.000 1.147 75 P CA 1.840 64.886 63.100 -0.090 0.000 0.827 75 P CB 0.403 32.050 31.700 -0.090 0.000 0.778 76 K N -2.464 117.616 120.400 -0.533 0.000 2.211 76 K HA -0.192 nan 4.320 nan 0.000 0.204 76 K C 0.624 176.763 176.600 -0.768 0.000 1.047 76 K CA 2.473 58.251 56.287 -0.847 0.000 0.935 76 K CB -0.301 31.290 32.500 -1.515 0.000 0.728 76 K HN 0.226 8.075 8.250 -0.585 0.050 0.452 77 W N -5.111 116.188 121.300 -0.003 0.000 2.846 77 W HA 0.346 nan 4.660 nan 0.000 0.391 77 W C -0.870 175.643 176.519 -0.011 0.000 1.011 77 W CA -1.285 56.056 57.345 -0.006 0.000 1.832 77 W CB 0.530 29.984 29.460 -0.010 0.000 1.151 77 W HN -0.073 7.961 8.180 -0.184 0.036 0.582 78 D N 0.829 121.298 120.400 0.116 0.000 2.348 78 D HA -0.076 nan 4.640 nan 0.000 0.216 78 D C 1.429 177.756 176.300 0.046 0.000 0.970 78 D CA 2.833 56.879 54.000 0.077 0.000 0.889 78 D CB -0.483 40.339 40.800 0.036 0.000 0.912 78 D HN -0.464 7.739 8.370 0.025 0.182 0.524 79 G N -2.185 106.636 108.800 0.035 0.000 3.189 79 G HA2 -0.031 nan 3.960 nan 0.000 0.225 79 G HA3 -0.031 nan 3.960 nan 0.000 0.225 79 G C -0.344 174.578 174.900 0.037 0.000 1.159 79 G CA -0.205 44.908 45.100 0.021 0.000 0.763 79 G HN -0.069 8.189 8.290 0.030 0.051 0.549 80 L N 0.850 122.113 121.223 0.067 0.000 2.456 80 L HA 0.290 nan 4.340 nan 0.000 0.257 80 L C -1.834 175.063 176.870 0.045 0.000 1.162 80 L CA -1.991 52.890 54.840 0.069 0.000 0.808 80 L CB -0.431 41.694 42.059 0.109 0.000 1.136 80 L HN -0.711 7.506 8.230 0.090 0.067 0.466 81 P HA 0.138 nan 4.420 nan 0.000 0.271 81 P C 0.441 177.752 177.300 0.019 0.000 1.216 81 P CA -0.498 62.615 63.100 0.022 0.000 0.771 81 P CB 0.691 32.403 31.700 0.020 0.000 0.864 82 R N 6.357 126.863 120.500 0.010 0.000 2.159 82 R HA -0.532 nan 4.340 nan 0.000 0.252 82 R C 2.073 178.375 176.300 0.003 0.000 1.144 82 R CA 4.118 60.220 56.100 0.004 0.000 0.961 82 R CB -0.015 30.282 30.300 -0.004 0.000 0.877 82 R HN 0.638 8.913 8.270 0.008 0.000 0.444 83 K N -0.717 119.687 120.400 0.007 0.000 2.144 83 K HA -0.204 nan 4.320 nan 0.000 0.209 83 K C 1.030 177.633 176.600 0.005 0.000 1.047 83 K CA 2.559 58.851 56.287 0.008 0.000 0.927 83 K CB -0.196 32.311 32.500 0.012 0.000 0.716 83 K HN 0.163 8.412 8.250 0.008 0.006 0.454 84 I N -9.122 111.452 120.570 0.006 0.000 3.856 84 I HA 0.241 nan 4.170 nan 0.000 0.330 84 I C -0.268 175.837 176.117 -0.021 0.000 1.546 84 I CA -1.273 60.025 61.300 -0.004 0.000 1.132 84 I CB 0.659 38.667 38.000 0.014 0.000 1.157 84 I HN -0.126 7.962 8.210 0.013 0.129 0.440 85 R N 3.031 123.521 120.500 -0.016 0.000 2.694 85 R HA 0.146 nan 4.340 nan 0.000 0.268 85 R C -0.956 175.287 176.300 -0.094 0.000 1.061 85 R CA -1.606 54.484 56.100 -0.016 0.000 1.133 85 R CB -1.149 29.151 30.300 0.000 0.000 1.020 85 R HN -0.176 7.920 8.270 -0.009 0.169 0.475 86 P HA -0.194 nan 4.420 nan 0.000 0.216 86 P C 0.573 177.738 177.300 -0.224 0.000 1.150 86 P CA 2.593 65.533 63.100 -0.267 0.000 0.837 86 P CB 0.108 31.658 31.700 -0.251 0.000 0.786 87 E N -4.232 115.902 120.200 -0.110 0.000 2.153 87 E HA -0.324 nan 4.350 nan 0.000 0.194 87 E C 2.217 178.772 176.600 -0.074 0.000 0.988 87 E CA 3.539 59.895 56.400 -0.072 0.000 0.811 87 E CB -1.294 28.386 29.700 -0.033 0.000 0.746 87 E HN 0.379 8.679 8.360 -0.071 0.017 0.466 88 T N 2.252 116.760 114.554 -0.076 0.000 2.867 88 T HA -0.128 nan 4.350 nan 0.000 0.268 88 T C 1.823 176.479 174.700 -0.072 0.000 1.057 88 T CA 4.609 66.678 62.100 -0.051 0.000 1.136 88 T CB -0.647 68.201 68.868 -0.033 0.000 0.874 88 T HN -0.320 7.750 8.240 -0.077 0.123 0.466 89 G N 1.379 110.082 108.800 -0.162 0.000 2.432 89 G HA2 -0.228 nan 3.960 nan 0.000 0.219 89 G HA3 -0.228 nan 3.960 nan 0.000 0.219 89 G C 0.838 175.642 174.900 -0.160 0.000 1.135 89 G CA 2.142 47.106 45.100 -0.226 0.000 0.767 89 G HN -0.532 7.524 8.290 -0.204 0.112 0.550 90 L N 1.756 122.931 121.223 -0.080 0.000 2.056 90 L HA -0.076 nan 4.340 nan 0.000 0.207 90 L C 1.454 178.304 176.870 -0.033 0.000 1.078 90 L CA 2.019 56.891 54.840 0.054 0.000 0.749 90 L CB -0.300 41.786 42.059 0.044 0.000 0.901 90 L HN -0.958 7.064 8.230 -0.144 0.121 0.433 91 L N -1.924 119.281 121.223 -0.030 0.000 2.046 91 L HA -0.389 nan 4.340 nan 0.000 0.208 91 L C 2.439 179.291 176.870 -0.029 0.000 1.077 91 L CA 3.394 58.227 54.840 -0.012 0.000 0.747 91 L CB -1.621 40.449 42.059 0.018 0.000 0.896 91 L HN -0.372 7.753 8.230 -0.033 0.086 0.432 92 S N -0.498 115.185 115.700 -0.028 0.000 2.402 92 S HA -0.254 nan 4.470 nan 0.000 0.229 92 S C 2.373 176.941 174.600 -0.053 0.000 1.021 92 S CA 3.970 62.187 58.200 0.028 0.000 0.974 92 S CB -0.403 62.902 63.200 0.174 0.000 0.800 92 S HN -0.054 8.159 8.310 -0.033 0.078 0.484 93 L N 2.056 123.078 121.223 -0.335 0.000 1.976 93 L HA -0.387 nan 4.340 nan 0.000 0.209 93 L C 1.151 177.906 176.870 -0.191 0.000 1.071 93 L CA 3.433 57.974 54.840 -0.497 0.000 0.746 93 L CB -0.262 41.443 42.059 -0.589 0.000 0.890 93 L HN -0.066 7.890 8.230 -0.312 0.087 0.432 94 R N -2.325 118.085 120.500 -0.151 0.000 2.080 94 R HA -0.436 nan 4.340 nan 0.000 0.236 94 R C 2.780 179.042 176.300 -0.064 0.000 1.137 94 R CA 3.876 59.911 56.100 -0.107 0.000 0.943 94 R CB -0.334 29.916 30.300 -0.083 0.000 0.846 94 R HN -0.408 7.769 8.270 -0.154 0.000 0.431 95 K N -1.614 118.760 120.400 -0.043 0.000 2.097 95 K HA -0.306 nan 4.320 nan 0.000 0.206 95 K C 2.094 178.697 176.600 0.005 0.000 1.049 95 K CA 2.951 59.223 56.287 -0.025 0.000 0.933 95 K CB -0.173 32.314 32.500 -0.023 0.000 0.717 95 K HN -0.101 8.121 8.250 -0.046 0.000 0.442 96 S N -1.637 114.086 115.700 0.038 0.000 2.382 96 S HA -0.298 nan 4.470 nan 0.000 0.228 96 S C 2.122 176.743 174.600 0.036 0.000 1.027 96 S CA 2.640 60.884 58.200 0.072 0.000 0.991 96 S CB 0.229 63.542 63.200 0.189 0.000 0.823 96 S HN -0.104 8.125 8.310 0.039 0.105 0.469 97 Q N -1.589 118.214 119.800 0.005 0.000 2.356 97 Q HA 0.096 nan 4.340 nan 0.000 0.205 97 Q C -0.650 175.341 176.000 -0.015 0.000 0.901 97 Q CA -1.136 54.657 55.803 -0.017 0.000 0.938 97 Q CB 0.101 28.805 28.738 -0.056 0.000 1.081 97 Q HN -0.610 7.555 8.270 -0.010 0.099 0.517 98 D N -0.371 120.027 120.400 -0.003 0.000 2.746 98 D HA -0.370 nan 4.640 nan 0.000 0.241 98 D C -1.650 174.668 176.300 0.031 0.000 1.140 98 D CA 1.082 55.105 54.000 0.039 0.000 0.707 98 D CB -1.163 39.686 40.800 0.081 0.000 1.034 98 D HN -0.294 7.885 8.370 -0.007 0.186 0.423 99 L N -0.541 120.648 121.223 -0.057 0.000 2.312 99 L HA 0.002 nan 4.340 nan 0.000 0.287 99 L C -0.498 176.308 176.870 -0.106 0.000 1.091 99 L CA -0.337 54.395 54.840 -0.180 0.000 0.846 99 L CB -0.685 41.257 42.059 -0.195 0.000 1.219 99 L HN -0.430 7.768 8.230 -0.054 0.000 0.439 100 F N -0.441 119.485 119.950 -0.040 0.000 2.746 100 F HA 0.278 nan 4.527 nan 0.000 0.297 100 F C -1.285 174.521 175.800 0.010 0.000 1.113 100 F CA -1.478 56.518 58.000 -0.007 0.000 1.367 100 F CB 0.817 39.822 39.000 0.009 0.000 1.111 100 F HN -0.561 7.280 8.300 -0.765 0.000 0.590 101 A N -0.233 122.410 122.820 -0.295 0.000 2.318 101 A HA 0.393 nan 4.320 nan 0.000 0.317 101 A C -2.680 174.807 177.584 -0.162 0.000 1.159 101 A CA -1.662 50.302 52.037 -0.122 0.000 0.799 101 A CB 1.428 20.325 19.000 -0.172 0.000 1.194 101 A HN 0.403 8.136 8.150 -0.695 0.000 0.479 102 N N 3.024 121.681 118.700 -0.072 0.000 2.444 102 N HA 0.578 nan 4.740 nan 0.000 0.262 102 N C -1.810 173.648 175.510 -0.087 0.000 0.974 102 N CA -1.203 51.793 53.050 -0.091 0.000 0.933 102 N CB 2.435 40.901 38.487 -0.035 0.000 1.137 102 N HN 0.388 8.765 8.380 -0.005 0.000 0.498 103 L N 6.361 127.505 121.223 -0.130 0.000 2.260 103 L HA 0.380 nan 4.340 nan 0.000 0.289 103 L C -1.240 175.586 176.870 -0.073 0.000 1.057 103 L CA -0.127 54.645 54.840 -0.112 0.000 0.811 103 L CB -0.041 41.911 42.059 -0.177 0.000 1.184 103 L HN 1.055 9.060 8.230 -0.175 0.120 0.429 104 R N 4.175 124.647 120.500 -0.048 0.000 2.363 104 R HA 0.527 nan 4.340 nan 0.000 0.297 104 R C -2.625 173.660 176.300 -0.024 0.000 1.208 104 R CA -3.659 52.422 56.100 -0.032 0.000 1.121 104 R CB 0.356 30.640 30.300 -0.027 0.000 1.124 104 R HN 0.787 9.028 8.270 -0.047 0.000 0.561 105 P HA 0.440 nan 4.420 nan 0.000 0.278 105 P C -1.794 175.488 177.300 -0.031 0.000 1.238 105 P CA -0.631 62.462 63.100 -0.011 0.000 0.794 105 P CB 0.815 32.523 31.700 0.013 0.000 0.955 106 A N 2.668 125.461 122.820 -0.045 0.000 2.476 106 A HA 0.317 nan 4.320 nan 0.000 0.280 106 A C -2.779 174.748 177.584 -0.094 0.000 1.081 106 A CA -0.158 51.840 52.037 -0.065 0.000 0.753 106 A CB 1.962 20.937 19.000 -0.041 0.000 1.248 106 A HN 0.628 8.757 8.150 -0.036 0.000 0.424 107 K N 0.827 121.119 120.400 -0.179 0.000 2.527 107 K HA 0.689 nan 4.320 nan 0.000 0.260 107 K C -1.789 174.613 176.600 -0.330 0.000 0.937 107 K CA -1.576 54.570 56.287 -0.234 0.000 0.826 107 K CB 3.534 35.868 32.500 -0.276 0.000 1.359 107 K HN -0.205 7.917 8.250 -0.213 0.000 0.434 108 V N 3.007 122.797 119.914 -0.207 0.000 2.318 108 V HA 0.229 nan 4.120 nan 0.000 0.271 108 V C -0.931 175.114 176.094 -0.082 0.000 1.030 108 V CA -0.623 61.595 62.300 -0.137 0.000 0.844 108 V CB -0.419 31.381 31.823 -0.038 0.000 1.015 108 V HN 0.104 8.212 8.190 -0.136 0.000 0.460 109 F N 8.367 128.332 119.950 0.025 0.000 2.607 109 F HA 0.015 nan 4.527 nan 0.000 0.374 109 F C -1.308 174.501 175.800 0.015 0.000 1.104 109 F CA -2.735 55.277 58.000 0.020 0.000 1.296 109 F CB -0.590 38.424 39.000 0.024 0.000 1.085 109 F HN -0.128 8.039 8.300 -0.222 0.000 0.584 110 P HA -0.266 nan 4.420 nan 0.000 0.261 110 P C -0.656 176.702 177.300 0.095 0.000 1.183 110 P CA 1.330 64.500 63.100 0.117 0.000 0.761 110 P CB -0.491 31.262 31.700 0.087 0.000 0.785 111 G N 2.615 111.459 108.800 0.072 0.000 2.254 111 G HA2 -0.369 nan 3.960 nan 0.000 0.225 111 G HA3 -0.369 nan 3.960 nan 0.000 0.225 111 G C -0.053 174.887 174.900 0.067 0.000 1.003 111 G CA 0.268 45.402 45.100 0.056 0.000 0.622 111 G HN 0.140 8.706 8.290 0.066 -0.236 0.507 112 L N -0.167 121.114 121.223 0.096 0.000 2.628 112 L HA 0.095 nan 4.340 nan 0.000 0.229 112 L C 0.817 177.728 176.870 0.068 0.000 1.137 112 L CA -0.361 54.536 54.840 0.095 0.000 0.909 112 L CB -0.418 41.730 42.059 0.149 0.000 1.137 112 L HN 0.081 8.196 8.230 0.122 0.188 0.470 113 E N 0.056 120.289 120.200 0.054 0.000 2.273 113 E HA -0.359 nan 4.350 nan 0.000 0.198 113 E C 1.102 177.721 176.600 0.032 0.000 1.002 113 E CA 3.279 59.701 56.400 0.037 0.000 0.828 113 E CB -1.121 28.598 29.700 0.031 0.000 0.747 113 E HN 0.506 8.838 8.360 0.058 0.063 0.491 114 R N -2.745 117.776 120.500 0.034 0.000 2.152 114 R HA -0.246 nan 4.340 nan 0.000 0.232 114 R C 1.239 177.555 176.300 0.028 0.000 1.117 114 R CA 1.998 58.116 56.100 0.029 0.000 0.981 114 R CB -0.639 29.679 30.300 0.030 0.000 0.870 114 R HN -0.167 8.073 8.270 0.040 0.054 0.451 115 L N -0.383 120.859 121.223 0.033 0.000 2.131 115 L HA -0.085 nan 4.340 nan 0.000 0.206 115 L C 0.993 177.876 176.870 0.022 0.000 1.087 115 L CA 1.128 55.985 54.840 0.029 0.000 0.767 115 L CB -0.455 41.627 42.059 0.038 0.000 0.917 115 L HN 0.084 8.190 8.230 0.039 0.149 0.441 116 S N -0.313 115.400 115.700 0.021 0.000 2.558 116 S HA -0.104 nan 4.470 nan 0.000 0.287 116 S C -0.928 173.680 174.600 0.014 0.000 1.321 116 S CA 0.037 58.246 58.200 0.015 0.000 1.048 116 S CB 0.478 63.686 63.200 0.014 0.000 0.844 116 S HN -0.593 7.731 8.310 0.024 0.000 0.512 117 P HA 0.077 nan 4.420 nan 0.000 0.225 117 P C -1.254 176.053 177.300 0.012 0.000 1.156 117 P CA 0.427 63.534 63.100 0.011 0.000 0.787 117 P CB 0.326 32.031 31.700 0.009 0.000 0.802 118 L N -0.925 120.306 121.223 0.014 0.000 2.436 118 L HA 0.013 nan 4.340 nan 0.000 0.265 118 L C 0.258 177.137 176.870 0.016 0.000 1.168 118 L CA -0.512 54.338 54.840 0.016 0.000 0.815 118 L CB 0.434 42.505 42.059 0.020 0.000 1.109 118 L HN -0.801 7.394 8.230 0.013 0.043 0.462 119 K N 1.722 122.132 120.400 0.016 0.000 2.355 119 K HA -0.135 nan 4.320 nan 0.000 0.270 119 K C 0.759 177.368 176.600 0.015 0.000 1.003 119 K CA 0.555 56.850 56.287 0.015 0.000 0.957 119 K CB 0.729 33.237 32.500 0.014 0.000 0.939 119 K HN -0.058 8.202 8.250 0.017 0.000 0.482 120 E N 4.080 124.289 120.200 0.015 0.000 2.164 120 E HA -0.418 nan 4.350 nan 0.000 0.206 120 E C 2.105 178.714 176.600 0.015 0.000 1.032 120 E CA 3.738 60.148 56.400 0.016 0.000 0.832 120 E CB -0.493 29.216 29.700 0.016 0.000 0.742 120 E HN 0.612 8.981 8.360 0.015 0.000 0.460 121 E N -2.923 117.285 120.200 0.012 0.000 2.150 121 E HA -0.215 nan 4.350 nan 0.000 0.193 121 E C 1.553 178.159 176.600 0.010 0.000 0.985 121 E CA 2.215 58.621 56.400 0.010 0.000 0.814 121 E CB -0.844 28.861 29.700 0.008 0.000 0.752 121 E HN 0.429 8.774 8.360 0.012 0.023 0.466 122 I N -1.761 118.817 120.570 0.014 0.000 2.233 122 I HA -0.238 nan 4.170 nan 0.000 0.243 122 I C 1.190 177.319 176.117 0.019 0.000 1.093 122 I CA 0.760 62.071 61.300 0.018 0.000 1.380 122 I CB -0.756 37.258 38.000 0.025 0.000 1.067 122 I HN -0.452 7.747 8.210 0.015 0.021 0.413 123 A N -1.856 120.975 122.820 0.018 0.000 1.933 123 A HA -0.253 nan 4.320 nan 0.000 0.218 123 A C 0.272 177.863 177.584 0.013 0.000 1.175 123 A CA 1.674 53.721 52.037 0.016 0.000 0.628 123 A CB -0.070 18.939 19.000 0.015 0.000 0.814 123 A HN -0.576 7.585 8.150 0.018 0.000 0.444 124 R N -0.217 120.292 120.500 0.014 0.000 2.486 124 R HA -0.439 nan 4.340 nan 0.000 0.303 124 R C 0.683 176.989 176.300 0.010 0.000 0.958 124 R CA 1.746 57.855 56.100 0.015 0.000 1.077 124 R CB -0.260 30.049 30.300 0.015 0.000 0.921 124 R HN -0.456 7.823 8.270 0.015 0.000 0.406 125 G N 4.315 113.122 108.800 0.012 0.000 2.195 125 G HA2 -0.451 nan 3.960 nan 0.000 0.246 125 G HA3 -0.451 nan 3.960 nan 0.000 0.246 125 G C -1.434 173.468 174.900 0.004 0.000 0.984 125 G CA -0.144 44.961 45.100 0.008 0.000 0.633 125 G HN 0.429 8.729 8.290 0.017 0.000 0.525 126 V N 2.099 122.013 119.914 -0.000 0.000 2.557 126 V HA -0.206 nan 4.120 nan 0.000 0.301 126 V C -1.198 174.882 176.094 -0.023 0.000 1.026 126 V CA 1.450 63.751 62.300 0.001 0.000 1.137 126 V CB -0.797 31.026 31.823 0.000 0.000 0.917 126 V HN -0.540 7.592 8.190 0.001 0.057 0.484 127 D N 7.120 127.519 120.400 -0.002 0.000 3.118 127 D HA 0.080 nan 4.640 nan 0.000 0.259 127 D C -1.909 174.401 176.300 0.017 0.000 1.292 127 D CA 0.064 54.056 54.000 -0.013 0.000 0.784 127 D CB 1.426 42.226 40.800 -0.001 0.000 1.413 127 D HN 0.180 8.565 8.370 0.026 0.000 0.583 128 V N 2.356 122.281 119.914 0.019 0.000 2.539 128 V HA 0.779 nan 4.120 nan 0.000 0.292 128 V C -2.818 173.278 176.094 0.003 0.000 1.045 128 V CA -1.948 60.372 62.300 0.034 0.000 0.945 128 V CB 3.290 35.149 31.823 0.059 0.000 0.993 128 V HN 0.502 8.693 8.190 0.002 0.000 0.464 129 L N 8.572 129.793 121.223 -0.002 0.000 2.319 129 L HA 0.728 nan 4.340 nan 0.000 0.281 129 L C -2.267 174.580 176.870 -0.037 0.000 1.005 129 L CA -1.162 53.670 54.840 -0.014 0.000 0.828 129 L CB 3.113 45.172 42.059 0.001 0.000 1.227 129 L HN 0.859 9.091 8.230 0.002 0.000 0.415 130 I N 7.774 128.319 120.570 -0.041 0.000 2.315 130 I HA 0.382 nan 4.170 nan 0.000 0.291 130 I C -1.386 174.708 176.117 -0.040 0.000 1.006 130 I CA -0.489 60.781 61.300 -0.049 0.000 1.265 130 I CB 0.981 38.952 38.000 -0.049 0.000 1.387 130 I HN 0.354 8.441 8.210 -0.035 0.102 0.475 131 V N 8.489 128.383 119.914 -0.033 0.000 2.328 131 V HA 0.445 nan 4.120 nan 0.000 0.278 131 V C -1.986 174.127 176.094 0.032 0.000 1.021 131 V CA -1.573 60.719 62.300 -0.013 0.000 0.838 131 V CB -0.337 31.477 31.823 -0.016 0.000 0.999 131 V HN 1.215 9.272 8.190 -0.039 0.110 0.447 132 R N 7.384 127.906 120.500 0.036 0.000 2.393 132 R HA 0.554 nan 4.340 nan 0.000 0.310 132 R C -1.315 175.062 176.300 0.129 0.000 0.968 132 R CA -1.766 54.375 56.100 0.068 0.000 0.867 132 R CB 3.183 33.509 30.300 0.043 0.000 1.124 132 R HN 0.663 8.940 8.270 0.011 0.000 0.450 133 E N 5.897 126.215 120.200 0.196 0.000 2.324 133 E HA -0.077 nan 4.350 nan 0.000 0.271 133 E C -0.748 176.004 176.600 0.253 0.000 1.028 133 E CA 0.891 57.467 56.400 0.293 0.000 0.890 133 E CB 0.423 30.376 29.700 0.422 0.000 1.004 133 E HN -0.238 8.223 8.360 0.170 0.000 0.431 134 L N 4.641 126.012 121.223 0.247 0.000 2.286 134 L HA 0.214 nan 4.340 nan 0.000 0.203 134 L C 1.564 178.588 176.870 0.257 0.000 1.068 134 L CA 1.652 56.629 54.840 0.228 0.000 0.811 134 L CB 1.042 43.186 42.059 0.141 0.000 0.989 134 L HN 0.651 8.942 8.230 0.272 0.102 0.467 135 T N -5.464 109.176 114.554 0.144 0.000 2.995 135 T HA -0.071 nan 4.350 nan 0.000 0.269 135 T C 0.755 175.405 174.700 -0.083 0.000 1.091 135 T CA 1.267 63.307 62.100 -0.100 0.000 1.128 135 T CB 0.343 69.171 68.868 -0.066 0.000 0.891 135 T HN -0.284 8.074 8.240 0.197 0.000 0.492 136 G N 0.848 109.746 108.800 0.163 0.000 3.075 136 G HA2 0.513 nan 3.960 nan 0.000 0.253 136 G HA3 0.513 nan 3.960 nan 0.000 0.253 136 G C -1.078 173.769 174.900 -0.089 0.000 1.353 136 G CA -1.476 43.638 45.100 0.023 0.000 1.051 136 G HN -0.556 8.108 8.290 0.255 -0.221 0.553 137 G N -1.267 107.147 108.800 -0.643 0.000 2.582 137 G HA2 -0.307 nan 3.960 nan 0.000 0.222 137 G HA3 -0.307 nan 3.960 nan 0.000 0.222 137 G C 0.255 174.986 174.900 -0.282 0.000 1.311 137 G CA -0.441 44.316 45.100 -0.572 0.000 0.915 137 G HN -0.639 7.149 8.290 -0.837 0.000 0.528 138 I N 0.775 121.181 120.570 -0.273 0.000 2.567 138 I HA -0.345 nan 4.170 nan 0.000 0.257 138 I C 0.057 176.130 176.117 -0.072 0.000 1.184 138 I CA 1.968 63.173 61.300 -0.157 0.000 1.451 138 I CB 0.116 38.027 38.000 -0.150 0.000 1.089 138 I HN 0.042 8.232 8.210 -0.345 -0.186 0.441 139 Y N -3.939 116.168 120.300 -0.322 0.000 2.274 139 Y HA -0.268 nan 4.550 nan 0.000 0.290 139 Y C 1.142 176.559 175.900 -0.804 0.000 1.145 139 Y CA 0.711 58.454 58.100 -0.596 0.000 1.203 139 Y CB -0.247 37.727 38.460 -0.810 0.000 0.984 139 Y HN -0.183 7.906 8.280 -0.251 0.041 0.533 140 F N -4.867 115.117 119.950 0.057 0.000 2.683 140 F HA 0.169 nan 4.527 nan 0.000 0.306 140 F C 0.546 176.320 175.800 -0.042 0.000 1.102 140 F CA -0.615 57.383 58.000 -0.003 0.000 1.244 140 F CB 0.672 39.665 39.000 -0.011 0.000 1.029 140 F HN -0.738 7.417 8.300 -0.040 0.121 0.545 141 G N 1.032 109.850 108.800 0.030 0.000 2.442 141 G HA2 -0.102 nan 3.960 nan 0.000 0.249 141 G HA3 -0.102 nan 3.960 nan 0.000 0.249 141 G C -0.984 173.927 174.900 0.018 0.000 1.263 141 G CA -0.193 44.908 45.100 0.001 0.000 0.846 141 G HN -0.872 7.214 8.290 -0.025 0.189 0.555 142 E N 1.076 121.292 120.200 0.026 0.000 2.266 142 E HA 0.403 nan 4.350 nan 0.000 0.268 142 E C -1.567 175.067 176.600 0.057 0.000 0.879 142 E CA -2.772 53.657 56.400 0.047 0.000 0.762 142 E CB 2.058 31.784 29.700 0.042 0.000 1.199 142 E HN 0.007 8.375 8.360 0.013 0.000 0.422 143 P HA 0.392 nan 4.420 nan 0.000 0.281 143 P C -1.868 175.567 177.300 0.225 0.000 1.249 143 P CA -0.635 62.571 63.100 0.177 0.000 0.810 143 P CB 0.851 32.688 31.700 0.227 0.000 1.008 144 R N -1.608 118.963 120.500 0.119 0.000 2.740 144 R HA 0.751 nan 4.340 nan 0.000 0.273 144 R C -1.354 174.660 176.300 -0.477 0.000 0.998 144 R CA -1.909 54.081 56.100 -0.183 0.000 0.900 144 R CB 3.306 33.516 30.300 -0.151 0.000 1.223 144 R HN 0.150 8.491 8.270 0.118 0.000 0.466 145 G N -1.146 106.949 108.800 -1.175 0.000 2.320 145 G HA2 0.056 nan 3.960 nan 0.000 0.296 145 G HA3 0.056 nan 3.960 nan 0.000 0.296 145 G C -3.451 170.526 174.900 -1.538 0.000 1.306 145 G CA 0.529 44.906 45.100 -1.206 0.000 0.836 145 G HN 0.345 7.874 8.290 -1.268 0.000 0.517 146 M N -0.884 118.139 119.600 -0.962 0.000 2.414 146 M HA 0.618 nan 4.480 nan 0.000 0.287 146 M C -2.128 174.080 176.300 -0.155 0.000 1.181 146 M CA -0.493 54.492 55.300 -0.524 0.000 0.933 146 M CB 3.009 35.426 32.600 -0.305 0.000 1.732 146 M HN -0.031 7.885 8.290 -0.623 0.000 0.486 147 S N 4.225 119.959 115.700 0.057 0.000 2.874 147 S HA 0.385 nan 4.470 nan 0.000 0.318 147 S C -0.535 174.109 174.600 0.074 0.000 1.109 147 S CA -0.677 57.600 58.200 0.127 0.000 0.878 147 S CB 2.564 65.914 63.200 0.250 0.000 1.307 147 S HN 0.689 8.949 8.310 0.088 0.102 0.592 148 E N 0.239 120.479 120.200 0.067 0.000 2.152 148 E HA -0.114 nan 4.350 nan 0.000 0.192 148 E C -0.515 176.114 176.600 0.048 0.000 0.983 148 E CA 1.085 57.510 56.400 0.042 0.000 0.818 148 E CB -0.060 29.660 29.700 0.034 0.000 0.758 148 E HN 0.570 8.976 8.360 0.076 0.000 0.467 149 A N -2.662 120.199 122.820 0.070 0.000 2.115 149 A HA 0.118 nan 4.320 nan 0.000 0.211 149 A C -0.700 176.937 177.584 0.088 0.000 1.169 149 A CA 0.616 52.691 52.037 0.064 0.000 0.787 149 A CB 1.244 20.274 19.000 0.051 0.000 0.858 149 A HN -0.410 7.771 8.150 0.087 0.022 0.474 150 E N -3.057 117.233 120.200 0.149 0.000 2.416 150 E HA 0.215 nan 4.350 nan 0.000 0.280 150 E C -2.480 174.299 176.600 0.297 0.000 1.055 150 E CA -0.689 55.831 56.400 0.201 0.000 0.825 150 E CB 2.515 32.336 29.700 0.201 0.000 1.312 150 E HN -0.579 7.886 8.360 0.175 0.000 0.452 151 A N 0.341 123.303 122.820 0.237 0.000 2.413 151 A HA 0.753 nan 4.320 nan 0.000 0.307 151 A C -1.657 176.076 177.584 0.248 0.000 1.087 151 A CA -0.870 51.193 52.037 0.043 0.000 0.750 151 A CB 2.076 21.019 19.000 -0.095 0.000 1.296 151 A HN 0.068 8.338 8.150 0.199 0.000 0.423 152 W N 0.278 121.569 121.300 -0.016 0.000 3.217 152 W HA 0.261 nan 4.660 nan 0.000 0.323 152 W C -2.904 173.602 176.519 -0.021 0.000 1.216 152 W CA -1.323 56.012 57.345 -0.017 0.000 1.194 152 W CB 1.736 31.187 29.460 -0.015 0.000 1.397 152 W HN 0.690 8.373 8.180 -0.828 0.000 0.537 153 N N -0.462 118.299 118.700 0.100 0.000 2.277 153 N HA 0.179 nan 4.740 nan 0.000 0.286 153 N C -1.632 173.917 175.510 0.064 0.000 1.140 153 N CA -0.272 52.787 53.050 0.015 0.000 0.799 153 N CB 4.255 42.718 38.487 -0.040 0.000 1.596 153 N HN -0.157 8.325 8.380 0.169 0.000 0.473 154 T N 2.733 117.310 114.554 0.039 0.000 2.772 154 T HA 0.164 nan 4.350 nan 0.000 0.288 154 T C -1.209 173.469 174.700 -0.037 0.000 0.994 154 T CA -0.325 61.788 62.100 0.022 0.000 0.951 154 T CB 1.012 69.902 68.868 0.037 0.000 0.933 154 T HN 0.241 8.492 8.240 0.020 0.000 0.447 155 E N 6.483 126.654 120.200 -0.049 0.000 2.052 155 E HA -0.016 nan 4.350 nan 0.000 0.283 155 E C -1.514 175.038 176.600 -0.081 0.000 1.071 155 E CA -0.572 55.770 56.400 -0.098 0.000 0.851 155 E CB 0.613 30.259 29.700 -0.090 0.000 1.066 155 E HN 0.302 8.648 8.360 -0.023 0.000 0.396 156 R N 5.680 126.089 120.500 -0.152 0.000 2.744 156 R HA 0.309 nan 4.340 nan 0.000 0.279 156 R C -2.063 174.091 176.300 -0.242 0.000 0.977 156 R CA -0.658 55.365 56.100 -0.128 0.000 0.906 156 R CB 3.066 33.303 30.300 -0.105 0.000 1.197 156 R HN -0.134 8.000 8.270 -0.227 0.000 0.463 157 Y N 0.246 120.533 120.300 -0.022 0.000 2.479 157 Y HA 0.321 nan 4.550 nan 0.000 0.338 157 Y C -0.738 175.137 175.900 -0.043 0.000 1.055 157 Y CA -0.900 57.236 58.100 0.061 0.000 1.023 157 Y CB 3.148 41.758 38.460 0.251 0.000 1.287 157 Y HN -0.011 8.266 8.280 -0.005 0.000 0.447 158 S N 3.095 118.935 115.700 0.233 0.000 2.722 158 S HA 0.473 nan 4.470 nan 0.000 0.292 158 S C -0.029 174.806 174.600 0.391 0.000 1.135 158 S CA -1.325 56.966 58.200 0.151 0.000 1.003 158 S CB 2.720 65.970 63.200 0.084 0.000 1.067 158 S HN 0.372 9.107 8.310 0.291 -0.251 0.546 159 K N 1.443 122.101 120.400 0.429 0.000 2.026 159 K HA -0.110 nan 4.320 nan 0.000 0.208 159 K C -0.121 176.535 176.600 0.094 0.000 1.048 159 K CA 4.401 60.891 56.287 0.337 0.000 0.929 159 K CB -1.630 31.023 32.500 0.255 0.000 0.713 159 K HN 0.641 9.091 8.250 0.332 0.000 0.439 160 P HA -0.213 nan 4.420 nan 0.000 0.216 160 P C 1.662 178.920 177.300 -0.069 0.000 1.150 160 P CA 3.053 66.139 63.100 -0.024 0.000 0.837 160 P CB -0.388 31.301 31.700 -0.019 0.000 0.786 161 E N -1.934 118.275 120.200 0.015 0.000 2.072 161 E HA -0.289 nan 4.350 nan 0.000 0.191 161 E C 2.516 179.088 176.600 -0.047 0.000 0.985 161 E CA 3.080 59.499 56.400 0.031 0.000 0.801 161 E CB -0.237 29.617 29.700 0.256 0.000 0.750 161 E HN -0.610 7.784 8.360 0.088 0.020 0.452 162 V N -0.557 119.297 119.914 -0.099 0.000 2.427 162 V HA -0.355 nan 4.120 nan 0.000 0.248 162 V C 2.135 177.978 176.094 -0.419 0.000 1.051 162 V CA 4.076 66.091 62.300 -0.475 0.000 1.048 162 V CB -0.960 30.522 31.823 -0.568 0.000 0.666 162 V HN -0.600 7.612 8.190 0.036 0.000 0.456 163 E N -0.994 119.054 120.200 -0.253 0.000 2.031 163 E HA -0.398 nan 4.350 nan 0.000 0.193 163 E C 2.302 178.815 176.600 -0.145 0.000 0.994 163 E CA 3.418 59.709 56.400 -0.181 0.000 0.800 163 E CB -0.333 29.292 29.700 -0.126 0.000 0.752 163 E HN -0.010 8.237 8.360 -0.189 0.000 0.447 164 R N -2.340 118.029 120.500 -0.218 0.000 2.083 164 R HA -0.274 nan 4.340 nan 0.000 0.237 164 R C 2.256 178.493 176.300 -0.105 0.000 1.137 164 R CA 3.054 58.975 56.100 -0.299 0.000 0.951 164 R CB -0.580 29.245 30.300 -0.792 0.000 0.851 164 R HN -0.355 7.770 8.270 -0.242 0.000 0.434 165 V N -0.596 119.268 119.914 -0.084 0.000 2.548 165 V HA -0.176 nan 4.120 nan 0.000 0.249 165 V C 1.289 177.422 176.094 0.066 0.000 1.055 165 V CA 2.656 65.058 62.300 0.170 0.000 1.065 165 V CB -0.828 31.116 31.823 0.201 0.000 0.681 165 V HN -0.628 7.440 8.190 -0.203 0.000 0.462 166 A N -0.091 122.697 122.820 -0.054 0.000 1.933 166 A HA -0.307 nan 4.320 nan 0.000 0.218 166 A C 2.002 179.663 177.584 0.128 0.000 1.175 166 A CA 3.311 55.328 52.037 -0.033 0.000 0.628 166 A CB -0.749 18.213 19.000 -0.062 0.000 0.814 166 A HN -0.177 7.809 8.150 -0.137 0.082 0.444 167 R N -2.126 118.458 120.500 0.141 0.000 2.081 167 R HA -0.338 nan 4.340 nan 0.000 0.235 167 R C 2.271 178.635 176.300 0.107 0.000 1.131 167 R CA 3.486 59.689 56.100 0.172 0.000 0.960 167 R CB -0.197 30.207 30.300 0.174 0.000 0.856 167 R HN -0.147 8.171 8.270 0.079 0.000 0.436 168 V N -0.324 119.664 119.914 0.124 0.000 2.287 168 V HA -0.406 nan 4.120 nan 0.000 0.248 168 V C 1.647 177.740 176.094 -0.002 0.000 1.053 168 V CA 4.374 66.726 62.300 0.086 0.000 1.027 168 V CB -0.930 30.962 31.823 0.116 0.000 0.646 168 V HN -0.530 7.761 8.190 0.169 0.000 0.447 169 A N -0.429 122.356 122.820 -0.059 0.000 1.908 169 A HA -0.320 nan 4.320 nan 0.000 0.218 169 A C 1.910 179.326 177.584 -0.279 0.000 1.181 169 A CA 3.302 55.228 52.037 -0.184 0.000 0.627 169 A CB -0.808 18.027 19.000 -0.274 0.000 0.818 169 A HN -0.289 7.849 8.150 -0.019 0.000 0.445 170 F N -2.339 117.435 119.950 -0.293 0.000 2.146 170 F HA -0.367 nan 4.527 nan 0.000 0.298 170 F C 2.375 177.944 175.800 -0.385 0.000 1.096 170 F CA 4.218 61.903 58.000 -0.525 0.000 1.275 170 F CB -0.313 37.918 39.000 -1.281 0.000 1.008 170 F HN -0.264 7.856 8.300 -0.169 0.078 0.480 171 E N -0.860 119.296 120.200 -0.074 0.000 2.058 171 E HA -0.354 nan 4.350 nan 0.000 0.194 171 E C 2.706 179.339 176.600 0.056 0.000 0.997 171 E CA 2.984 59.414 56.400 0.050 0.000 0.801 171 E CB -0.442 29.315 29.700 0.095 0.000 0.746 171 E HN -0.014 8.304 8.360 -0.069 0.000 0.450 172 L N -1.334 119.909 121.223 0.034 0.000 2.012 172 L HA -0.328 nan 4.340 nan 0.000 0.210 172 L C 2.238 179.131 176.870 0.038 0.000 1.073 172 L CA 2.753 57.627 54.840 0.058 0.000 0.748 172 L CB -0.930 41.154 42.059 0.042 0.000 0.891 172 L HN 0.142 8.378 8.230 0.009 0.000 0.431 173 A N -2.021 120.795 122.820 -0.006 0.000 1.940 173 A HA -0.377 nan 4.320 nan 0.000 0.219 173 A C 2.351 179.967 177.584 0.053 0.000 1.176 173 A CA 2.970 55.010 52.037 0.005 0.000 0.631 173 A CB -0.830 18.144 19.000 -0.043 0.000 0.814 173 A HN -0.095 8.026 8.150 -0.049 0.000 0.446 174 R N -2.750 117.794 120.500 0.073 0.000 2.127 174 R HA -0.266 nan 4.340 nan 0.000 0.238 174 R C 1.711 178.056 176.300 0.074 0.000 1.134 174 R CA 2.776 58.935 56.100 0.098 0.000 0.975 174 R CB 0.029 30.409 30.300 0.133 0.000 0.865 174 R HN -0.366 7.833 8.270 0.062 0.108 0.447 175 K N -4.206 116.231 120.400 0.063 0.000 2.365 175 K HA -0.041 nan 4.320 nan 0.000 0.197 175 K C 0.246 176.870 176.600 0.040 0.000 1.042 175 K CA 0.504 56.819 56.287 0.046 0.000 0.987 175 K CB 0.144 32.666 32.500 0.037 0.000 0.779 175 K HN -0.445 7.710 8.250 0.065 0.134 0.484 176 R N -1.150 119.378 120.500 0.047 0.000 1.996 176 R HA 0.173 nan 4.340 nan 0.000 0.120 176 R C 0.892 177.220 176.300 0.047 0.000 1.829 176 R CA -0.522 55.605 56.100 0.044 0.000 1.637 176 R CB 1.424 31.752 30.300 0.046 0.000 1.313 176 R HN -0.530 7.587 8.270 0.051 0.184 0.487 177 R N -1.123 119.410 120.500 0.055 0.000 2.515 177 R HA 0.217 nan 4.340 nan 0.000 0.294 177 R C -0.605 175.746 176.300 0.084 0.000 1.021 177 R CA -0.430 55.707 56.100 0.062 0.000 1.081 177 R CB 0.291 30.629 30.300 0.063 0.000 1.263 177 R HN -0.249 8.436 8.270 0.056 -0.382 0.557 178 K N -4.084 116.367 120.400 0.085 0.000 3.012 178 K HA -0.412 nan 4.320 nan 0.000 0.259 178 K C -1.881 174.811 176.600 0.154 0.000 0.989 178 K CA 1.196 57.547 56.287 0.105 0.000 0.728 178 K CB -2.636 29.920 32.500 0.093 0.000 1.260 178 K HN 0.125 8.345 8.250 0.072 0.073 0.480 179 H N -2.610 116.465 119.070 0.008 0.000 2.609 179 H HA 0.748 nan 4.556 nan 0.000 0.344 179 H C -2.377 172.929 175.328 -0.036 0.000 1.040 179 H CA -1.578 54.467 56.048 -0.005 0.000 1.216 179 H CB 2.744 32.502 29.762 -0.007 0.000 1.529 179 H HN -0.801 7.746 8.280 0.138 -0.184 0.519 180 V N 6.770 126.565 119.914 -0.199 0.000 2.656 180 V HA 0.585 nan 4.120 nan 0.000 0.307 180 V C -2.010 173.861 176.094 -0.372 0.000 1.051 180 V CA -1.048 61.026 62.300 -0.377 0.000 0.893 180 V CB 3.281 34.819 31.823 -0.475 0.000 0.999 180 V HN 0.754 9.011 8.190 0.111 0.000 0.426 181 V N 6.577 126.292 119.914 -0.331 0.000 2.409 181 V HA 0.565 nan 4.120 nan 0.000 0.291 181 V C -1.660 174.371 176.094 -0.106 0.000 1.020 181 V CA -1.759 60.433 62.300 -0.179 0.000 0.848 181 V CB 2.029 33.783 31.823 -0.114 0.000 0.990 181 V HN 0.796 8.791 8.190 -0.324 0.000 0.430 182 S N 6.060 121.752 115.700 -0.015 0.000 2.429 182 S HA 0.678 nan 4.470 nan 0.000 0.302 182 S C -1.536 173.161 174.600 0.162 0.000 1.115 182 S CA -1.456 56.844 58.200 0.166 0.000 1.095 182 S CB 1.252 64.653 63.200 0.336 0.000 0.987 182 S HN 0.630 8.910 8.310 -0.050 0.000 0.474 183 V N 7.624 127.577 119.914 0.064 0.000 2.427 183 V HA 0.567 nan 4.120 nan 0.000 0.286 183 V C -1.655 174.374 176.094 -0.108 0.000 1.034 183 V CA -0.899 61.373 62.300 -0.047 0.000 0.893 183 V CB 0.372 32.120 31.823 -0.125 0.000 0.982 183 V HN 0.346 8.577 8.190 0.068 0.000 0.452 184 D N 5.617 125.994 120.400 -0.038 0.000 2.921 184 D HA 0.213 nan 4.640 nan 0.000 0.329 184 D C -2.459 173.928 176.300 0.146 0.000 1.293 184 D CA -0.707 53.314 54.000 0.035 0.000 0.964 184 D CB 2.524 43.377 40.800 0.089 0.000 1.435 184 D HN 0.578 8.942 8.370 -0.010 0.000 0.548 185 K N -2.845 117.690 120.400 0.225 0.000 3.123 185 K HA 0.336 nan 4.320 nan 0.000 0.209 185 K C -0.136 176.537 176.600 0.122 0.000 1.132 185 K CA -1.877 54.493 56.287 0.138 0.000 0.992 185 K CB -1.223 31.327 32.500 0.085 0.000 0.773 185 K HN 0.272 8.671 8.250 0.248 0.000 0.458 186 A N -0.146 122.842 122.820 0.279 0.000 2.084 186 A HA -0.292 nan 4.320 nan 0.000 0.221 186 A C 0.243 177.897 177.584 0.116 0.000 1.161 186 A CA 2.822 54.995 52.037 0.227 0.000 0.653 186 A CB -0.604 18.551 19.000 0.258 0.000 0.802 186 A HN -0.331 8.297 8.150 0.424 -0.224 0.457 187 N N -5.368 113.291 118.700 -0.069 0.000 2.512 187 N HA -0.121 nan 4.740 nan 0.000 0.183 187 N C 0.109 175.540 175.510 -0.132 0.000 1.073 187 N CA 1.456 54.398 53.050 -0.179 0.000 0.911 187 N CB -0.215 37.950 38.487 -0.536 0.000 0.964 187 N HN -0.189 7.995 8.380 -0.249 0.046 0.447 188 V N -3.591 116.260 119.914 -0.105 0.000 3.431 188 V HA 0.151 nan 4.120 nan 0.000 0.255 188 V C -0.419 175.677 176.094 0.003 0.000 1.403 188 V CA 1.064 63.331 62.300 -0.055 0.000 1.101 188 V CB 1.866 33.644 31.823 -0.075 0.000 0.891 188 V HN -0.237 7.731 8.190 -0.101 0.161 0.446 189 L N -2.038 119.208 121.223 0.038 0.000 2.342 189 L HA 0.398 nan 4.340 nan 0.000 0.271 189 L C 0.455 177.383 176.870 0.098 0.000 1.008 189 L CA -1.214 53.667 54.840 0.069 0.000 0.818 189 L CB 2.189 44.302 42.059 0.091 0.000 1.296 189 L HN -0.161 8.092 8.230 0.038 0.000 0.427 190 E N 1.963 122.217 120.200 0.091 0.000 2.150 190 E HA -0.260 nan 4.350 nan 0.000 0.193 190 E C 1.918 178.622 176.600 0.174 0.000 0.985 190 E CA 3.492 59.959 56.400 0.111 0.000 0.814 190 E CB -0.464 29.278 29.700 0.071 0.000 0.752 190 E HN 0.529 8.930 8.360 0.069 0.000 0.466 191 V N -1.541 118.472 119.914 0.165 0.000 2.515 191 V HA -0.218 nan 4.120 nan 0.000 0.250 191 V C 2.071 178.358 176.094 0.321 0.000 1.058 191 V CA 3.591 66.039 62.300 0.247 0.000 1.064 191 V CB -0.972 30.972 31.823 0.202 0.000 0.675 191 V HN 0.242 8.491 8.190 0.121 0.014 0.461 192 G N -0.446 108.497 108.800 0.239 0.000 2.433 192 G HA2 -0.348 nan 3.960 nan 0.000 0.216 192 G HA3 -0.348 nan 3.960 nan 0.000 0.216 192 G C 0.748 175.804 174.900 0.260 0.000 1.186 192 G CA 2.380 47.626 45.100 0.244 0.000 0.779 192 G HN 0.083 8.377 8.290 0.190 0.111 0.543 193 E N 1.831 122.160 120.200 0.216 0.000 2.274 193 E HA -0.293 nan 4.350 nan 0.000 0.194 193 E C 2.075 178.790 176.600 0.191 0.000 0.996 193 E CA 1.871 58.372 56.400 0.168 0.000 0.840 193 E CB -0.466 29.313 29.700 0.131 0.000 0.772 193 E HN -0.361 8.117 8.360 0.196 0.000 0.491 194 F N 2.804 122.829 119.950 0.126 0.000 2.163 194 F HA -0.283 nan 4.527 nan 0.000 0.297 194 F C 0.961 176.833 175.800 0.120 0.000 1.094 194 F CA 3.287 61.353 58.000 0.109 0.000 1.290 194 F CB 0.681 39.756 39.000 0.125 0.000 1.017 194 F HN -0.356 8.074 8.300 0.406 0.113 0.483 195 W N -0.444 120.905 121.300 0.081 0.000 2.332 195 W HA -0.516 nan 4.660 nan 0.000 0.321 195 W C 1.540 178.002 176.519 -0.095 0.000 1.219 195 W CA 4.147 61.467 57.345 -0.042 0.000 1.277 195 W CB 0.162 29.618 29.460 -0.007 0.000 1.161 195 W HN 0.275 8.778 8.180 0.538 0.000 0.476 196 R N -1.253 119.371 120.500 0.206 0.000 2.094 196 R HA -0.569 nan 4.340 nan 0.000 0.239 196 R C 1.824 178.065 176.300 -0.098 0.000 1.137 196 R CA 4.007 60.098 56.100 -0.014 0.000 0.943 196 R CB -0.294 29.890 30.300 -0.193 0.000 0.850 196 R HN -0.085 8.373 8.270 0.312 0.000 0.433 197 K N -2.349 117.982 120.400 -0.115 0.000 2.063 197 K HA -0.297 nan 4.320 nan 0.000 0.208 197 K C 2.474 178.958 176.600 -0.193 0.000 1.048 197 K CA 3.414 59.622 56.287 -0.132 0.000 0.928 197 K CB -0.156 32.266 32.500 -0.130 0.000 0.713 197 K HN -0.469 7.735 8.250 -0.075 0.000 0.442 198 T N 2.361 116.711 114.554 -0.341 0.000 2.857 198 T HA -0.150 nan 4.350 nan 0.000 0.266 198 T C 2.207 176.761 174.700 -0.245 0.000 1.048 198 T CA 4.459 66.332 62.100 -0.378 0.000 1.139 198 T CB -0.213 68.299 68.868 -0.593 0.000 0.874 198 T HN -0.423 7.495 8.240 -0.406 0.079 0.455 199 V N 2.122 121.900 119.914 -0.226 0.000 2.407 199 V HA -0.434 nan 4.120 nan 0.000 0.248 199 V C 1.777 177.941 176.094 0.117 0.000 1.055 199 V CA 4.493 66.760 62.300 -0.054 0.000 1.049 199 V CB -1.072 30.741 31.823 -0.018 0.000 0.662 199 V HN 0.298 8.318 8.190 -0.282 0.000 0.455 200 E N -1.490 118.776 120.200 0.110 0.000 2.150 200 E HA -0.383 nan 4.350 nan 0.000 0.193 200 E C 2.189 178.804 176.600 0.025 0.000 0.985 200 E CA 3.189 59.662 56.400 0.123 0.000 0.814 200 E CB -0.351 29.431 29.700 0.138 0.000 0.752 200 E HN -0.102 8.300 8.360 0.069 0.000 0.466 201 E N -0.390 119.792 120.200 -0.030 0.000 2.106 201 E HA -0.207 nan 4.350 nan 0.000 0.192 201 E C 2.451 179.006 176.600 -0.074 0.000 0.984 201 E CA 2.920 59.284 56.400 -0.060 0.000 0.806 201 E CB 0.150 29.796 29.700 -0.091 0.000 0.750 201 E HN -0.689 7.543 8.360 -0.050 0.098 0.458 202 V N -0.405 119.470 119.914 -0.065 0.000 2.379 202 V HA -0.205 nan 4.120 nan 0.000 0.245 202 V C 2.143 178.096 176.094 -0.234 0.000 1.044 202 V CA 3.402 65.654 62.300 -0.079 0.000 1.036 202 V CB -0.301 31.532 31.823 0.017 0.000 0.664 202 V HN -0.212 7.856 8.190 -0.049 0.092 0.453 203 G N -2.415 106.223 108.800 -0.271 0.000 2.479 203 G HA2 -0.342 nan 3.960 nan 0.000 0.220 203 G HA3 -0.342 nan 3.960 nan 0.000 0.220 203 G C 1.210 175.974 174.900 -0.227 0.000 1.115 203 G CA 1.978 46.802 45.100 -0.459 0.000 0.757 203 G HN 0.415 8.501 8.290 -0.045 0.178 0.560 204 R N 0.737 121.148 120.500 -0.147 0.000 2.127 204 R HA -0.220 nan 4.340 nan 0.000 0.238 204 R C 1.649 177.837 176.300 -0.187 0.000 1.134 204 R CA 1.953 57.980 56.100 -0.121 0.000 0.975 204 R CB -0.115 30.128 30.300 -0.094 0.000 0.865 204 R HN -0.695 7.463 8.270 -0.124 0.038 0.447 205 G N -3.890 104.737 108.800 -0.288 0.000 2.744 205 G HA2 -0.100 nan 3.960 nan 0.000 0.211 205 G HA3 -0.100 nan 3.960 nan 0.000 0.211 205 G C -1.186 173.251 174.900 -0.772 0.000 1.143 205 G CA 0.517 45.314 45.100 -0.504 0.000 0.788 205 G HN -0.190 7.817 8.290 -0.256 0.130 0.534 206 Y N -2.102 118.022 120.300 -0.293 0.000 2.562 206 Y HA 0.346 nan 4.550 nan 0.000 0.363 206 Y C -1.951 173.888 175.900 -0.102 0.000 0.991 206 Y CA -3.432 54.545 58.100 -0.205 0.000 1.121 206 Y CB -0.757 37.526 38.460 -0.294 0.000 1.159 206 Y HN -0.337 7.608 8.280 -0.227 0.198 0.651 207 P HA -0.255 nan 4.420 nan 0.000 0.218 207 P C -0.427 176.904 177.300 0.052 0.000 1.146 207 P CA 2.324 65.431 63.100 0.011 0.000 0.813 207 P CB -0.413 31.274 31.700 -0.021 0.000 0.778 208 D N -4.951 115.496 120.400 0.079 0.000 2.317 208 D HA -0.154 nan 4.640 nan 0.000 0.211 208 D C -0.112 176.262 176.300 0.122 0.000 0.966 208 D CA 0.103 54.156 54.000 0.089 0.000 0.876 208 D CB 0.004 40.857 40.800 0.088 0.000 0.927 208 D HN 0.322 8.691 8.370 0.080 0.050 0.519 209 V N 1.396 121.417 119.914 0.180 0.000 2.439 209 V HA 0.115 nan 4.120 nan 0.000 0.282 209 V C -0.809 175.405 176.094 0.200 0.000 1.039 209 V CA -1.023 61.408 62.300 0.218 0.000 0.913 209 V CB 0.455 32.492 31.823 0.356 0.000 0.983 209 V HN -0.333 7.805 8.190 0.196 0.169 0.460 210 A N 8.144 131.064 122.820 0.167 0.000 2.350 210 A HA 0.342 nan 4.320 nan 0.000 0.293 210 A C -2.166 175.541 177.584 0.204 0.000 1.231 210 A CA -0.464 51.658 52.037 0.141 0.000 0.883 210 A CB 0.451 19.487 19.000 0.060 0.000 1.133 210 A HN 0.793 9.039 8.150 0.160 0.000 0.533 211 L N 3.834 125.140 121.223 0.139 0.000 2.307 211 L HA 0.605 nan 4.340 nan 0.000 0.282 211 L C -1.067 175.776 176.870 -0.044 0.000 1.051 211 L CA -0.636 54.239 54.840 0.058 0.000 0.804 211 L CB 2.107 44.215 42.059 0.081 0.000 1.197 211 L HN 0.081 8.379 8.230 0.114 0.000 0.431 212 E N 6.559 126.694 120.200 -0.109 0.000 2.367 212 E HA 0.269 nan 4.350 nan 0.000 0.273 212 E C -2.245 174.198 176.600 -0.262 0.000 0.903 212 E CA -1.568 54.766 56.400 -0.108 0.000 0.764 212 E CB 3.929 33.707 29.700 0.130 0.000 1.252 212 E HN 0.677 8.964 8.360 -0.121 0.000 0.446 213 H N 1.612 120.692 119.070 0.016 0.000 2.621 213 H HA 0.830 nan 4.556 nan 0.000 0.360 213 H C -0.584 174.675 175.328 -0.116 0.000 1.163 213 H CA -0.849 55.176 56.048 -0.038 0.000 1.194 213 H CB 2.233 31.960 29.762 -0.057 0.000 1.649 213 H HN 0.270 8.538 8.280 -0.020 0.000 0.532 214 Q N -0.208 119.574 119.800 -0.031 0.000 2.482 214 Q HA 0.275 nan 4.340 nan 0.000 0.286 214 Q C -2.530 173.344 176.000 -0.210 0.000 1.007 214 Q CA -0.992 54.719 55.803 -0.153 0.000 0.801 214 Q CB 4.751 33.476 28.738 -0.021 0.000 1.455 214 Q HN 0.568 8.859 8.270 0.034 0.000 0.398 215 Y N -0.677 119.609 120.300 -0.024 0.000 2.313 215 Y HA 0.231 nan 4.550 nan 0.000 0.332 215 Y C 0.642 176.419 175.900 -0.204 0.000 1.071 215 Y CA -0.243 57.793 58.100 -0.106 0.000 1.169 215 Y CB 0.321 38.732 38.460 -0.081 0.000 1.192 215 Y HN 0.069 8.265 8.280 -0.140 0.000 0.487 216 V N 5.308 125.108 119.914 -0.190 0.000 2.277 216 V HA -0.557 nan 4.120 nan 0.000 0.255 216 V C 0.379 176.306 176.094 -0.280 0.000 1.074 216 V CA 4.015 66.072 62.300 -0.405 0.000 1.058 216 V CB -0.188 31.038 31.823 -0.995 0.000 0.656 216 V HN 0.555 8.522 8.190 -0.196 0.106 0.449 217 D N -2.664 117.605 120.400 -0.217 0.000 2.178 217 D HA -0.307 nan 4.640 nan 0.000 0.202 217 D C 1.721 177.931 176.300 -0.150 0.000 0.974 217 D CA 3.188 57.090 54.000 -0.164 0.000 0.841 217 D CB -1.107 39.615 40.800 -0.130 0.000 0.953 217 D HN 0.178 8.408 8.370 -0.216 0.011 0.478 218 A N -0.429 122.319 122.820 -0.120 0.000 1.898 218 A HA -0.145 nan 4.320 nan 0.000 0.214 218 A C 2.075 179.452 177.584 -0.345 0.000 1.183 218 A CA 2.479 54.391 52.037 -0.207 0.000 0.622 218 A CB -0.532 18.434 19.000 -0.057 0.000 0.824 218 A HN -0.106 7.886 8.150 -0.053 0.126 0.444 219 M N -0.233 119.250 119.600 -0.195 0.000 2.108 219 M HA -0.411 nan 4.480 nan 0.000 0.261 219 M C 1.701 177.875 176.300 -0.210 0.000 1.066 219 M CA 1.538 56.723 55.300 -0.191 0.000 1.107 219 M CB -0.703 31.773 32.600 -0.207 0.000 1.356 219 M HN 0.237 8.439 8.290 -0.146 0.000 0.406 220 A N -1.456 121.247 122.820 -0.194 0.000 1.917 220 A HA -0.367 nan 4.320 nan 0.000 0.219 220 A C 2.212 179.720 177.584 -0.127 0.000 1.182 220 A CA 3.038 54.986 52.037 -0.149 0.000 0.633 220 A CB -0.916 18.004 19.000 -0.134 0.000 0.819 220 A HN -0.095 7.935 8.150 -0.200 0.000 0.448 221 M N -2.524 116.967 119.600 -0.182 0.000 2.067 221 M HA -0.482 nan 4.480 nan 0.000 0.260 221 M C 2.362 178.626 176.300 -0.060 0.000 1.069 221 M CA 3.959 59.162 55.300 -0.161 0.000 1.117 221 M CB 0.047 32.479 32.600 -0.280 0.000 1.334 221 M HN -0.755 7.310 8.290 -0.230 0.088 0.407 222 H N -1.176 117.911 119.070 0.028 0.000 2.387 222 H HA -0.226 nan 4.556 nan 0.000 0.299 222 H C 2.871 178.291 175.328 0.154 0.000 1.090 222 H CA 2.602 58.729 56.048 0.131 0.000 1.332 222 H CB -0.418 29.483 29.762 0.233 0.000 1.386 222 H HN -0.276 7.772 8.280 -0.387 0.000 0.516 223 L N -2.706 118.571 121.223 0.090 0.000 2.265 223 L HA -0.247 nan 4.340 nan 0.000 0.215 223 L C 1.335 178.252 176.870 0.078 0.000 1.117 223 L CA 2.856 57.720 54.840 0.040 0.000 0.782 223 L CB -0.238 41.770 42.059 -0.085 0.000 0.914 223 L HN 0.079 8.298 8.230 -0.018 0.000 0.441 224 V N -3.860 116.094 119.914 0.067 0.000 2.795 224 V HA -0.013 nan 4.120 nan 0.000 0.243 224 V C 0.849 176.986 176.094 0.073 0.000 1.069 224 V CA 2.202 64.533 62.300 0.051 0.000 1.089 224 V CB 0.720 32.555 31.823 0.020 0.000 0.756 224 V HN -0.589 7.486 8.190 0.059 0.150 0.471 225 R N -3.590 116.974 120.500 0.107 0.000 2.290 225 R HA 0.111 nan 4.340 nan 0.000 0.197 225 R C 0.573 176.939 176.300 0.110 0.000 0.913 225 R CA 1.011 57.172 56.100 0.101 0.000 1.040 225 R CB 1.169 31.531 30.300 0.103 0.000 0.992 225 R HN -0.406 7.942 8.270 0.129 0.000 0.500 226 S N -2.203 113.593 115.700 0.160 0.000 2.584 226 S HA 0.388 nan 4.470 nan 0.000 0.189 226 S C -1.583 173.131 174.600 0.191 0.000 0.869 226 S CA -1.839 56.431 58.200 0.116 0.000 1.097 226 S CB 0.110 63.337 63.200 0.044 0.000 1.677 226 S HN 0.031 8.469 8.310 0.213 0.000 0.460 227 P HA -0.102 nan 4.420 nan 0.000 0.222 227 P C 0.546 177.975 177.300 0.216 0.000 1.147 227 P CA 1.924 65.210 63.100 0.310 0.000 0.790 227 P CB -0.158 31.640 31.700 0.163 0.000 0.780 228 A N -1.324 121.531 122.820 0.058 0.000 2.067 228 A HA -0.139 nan 4.320 nan 0.000 0.219 228 A C 1.221 178.750 177.584 -0.092 0.000 1.158 228 A CA 2.051 54.085 52.037 -0.005 0.000 0.661 228 A CB -0.664 18.325 19.000 -0.019 0.000 0.801 228 A HN 0.414 8.555 8.150 0.048 0.038 0.452 229 R N -3.636 116.695 120.500 -0.281 0.000 2.313 229 R HA -0.021 nan 4.340 nan 0.000 0.199 229 R C -0.436 175.545 176.300 -0.531 0.000 0.958 229 R CA 0.658 56.490 56.100 -0.446 0.000 1.047 229 R CB -0.228 29.722 30.300 -0.583 0.000 0.955 229 R HN -0.678 7.370 8.270 -0.302 0.040 0.481 230 F N -1.426 118.559 119.950 0.058 0.000 2.458 230 F HA 0.082 nan 4.527 nan 0.000 0.330 230 F C -1.030 174.780 175.800 0.017 0.000 1.082 230 F CA -0.311 57.714 58.000 0.040 0.000 0.995 230 F CB 1.554 40.543 39.000 -0.018 0.000 1.170 230 F HN -0.780 7.397 8.300 -0.075 0.078 0.478 231 D N 0.021 120.510 120.400 0.149 0.000 3.013 231 D HA 0.095 nan 4.640 nan 0.000 0.235 231 D C -1.281 175.018 176.300 -0.001 0.000 1.540 231 D CA -0.018 54.021 54.000 0.065 0.000 1.303 231 D CB 1.841 42.686 40.800 0.075 0.000 0.980 231 D HN -0.186 8.235 8.370 0.085 0.000 0.250 232 V N 0.023 119.885 119.914 -0.087 0.000 2.394 232 V HA 0.515 nan 4.120 nan 0.000 0.282 232 V C -1.118 174.876 176.094 -0.168 0.000 1.031 232 V CA -0.624 61.608 62.300 -0.114 0.000 0.881 232 V CB 1.153 32.895 31.823 -0.135 0.000 0.982 232 V HN -0.564 7.542 8.190 -0.139 0.000 0.451 233 V N 7.889 127.726 119.914 -0.129 0.000 2.378 233 V HA 0.653 nan 4.120 nan 0.000 0.288 233 V C -1.980 174.060 176.094 -0.090 0.000 1.016 233 V CA -1.084 61.133 62.300 -0.137 0.000 0.840 233 V CB 1.453 33.183 31.823 -0.155 0.000 0.994 233 V HN 0.792 8.924 8.190 -0.097 0.000 0.431 234 V N 9.327 129.205 119.914 -0.061 0.000 2.581 234 V HA 0.902 nan 4.120 nan 0.000 0.303 234 V C -2.539 173.638 176.094 0.138 0.000 1.041 234 V CA -2.086 60.239 62.300 0.041 0.000 0.907 234 V CB 3.359 35.200 31.823 0.029 0.000 0.994 234 V HN 0.729 8.870 8.190 -0.082 0.000 0.442 235 T N 7.883 122.526 114.554 0.148 0.000 2.693 235 T HA 0.550 nan 4.350 nan 0.000 0.304 235 T C -1.392 173.146 174.700 -0.269 0.000 1.471 235 T CA -0.724 61.310 62.100 -0.111 0.000 0.993 235 T CB 3.385 72.180 68.868 -0.123 0.000 1.554 235 T HN 0.094 8.430 8.240 0.160 0.000 0.496 236 G N -0.468 107.889 108.800 -0.738 0.000 2.621 236 G HA2 0.247 nan 3.960 nan 0.000 0.271 236 G HA3 0.247 nan 3.960 nan 0.000 0.271 236 G C -0.547 174.259 174.900 -0.156 0.000 1.236 236 G CA -0.376 44.411 45.100 -0.521 0.000 0.958 236 G HN 0.277 8.044 8.290 -0.872 0.000 0.512 237 N N 1.653 120.327 118.700 -0.042 0.000 2.025 237 N HA -0.295 nan 4.740 nan 0.000 0.194 237 N C 2.310 177.607 175.510 -0.354 0.000 1.044 237 N CA 3.300 56.267 53.050 -0.138 0.000 0.851 237 N CB -0.035 38.367 38.487 -0.142 0.000 1.036 237 N HN 0.152 8.634 8.380 0.169 0.000 0.422 238 I N -1.617 118.585 120.570 -0.613 0.000 2.353 238 I HA -0.300 nan 4.170 nan 0.000 0.248 238 I C 1.287 177.358 176.117 -0.077 0.000 1.119 238 I CA 2.886 63.882 61.300 -0.506 0.000 1.417 238 I CB -0.039 37.623 38.000 -0.563 0.000 1.078 238 I HN -0.066 7.753 8.210 -0.652 0.000 0.421 239 F N -1.582 118.248 119.950 -0.201 0.000 2.146 239 F HA -0.192 nan 4.527 nan 0.000 0.298 239 F C 1.999 177.716 175.800 -0.138 0.000 1.096 239 F CA 1.295 59.194 58.000 -0.168 0.000 1.275 239 F CB -1.461 37.405 39.000 -0.224 0.000 1.008 239 F HN -0.335 7.751 8.300 -0.356 0.000 0.480 240 G N -1.833 106.999 108.800 0.054 0.000 2.443 240 G HA2 -0.390 nan 3.960 nan 0.000 0.219 240 G HA3 -0.390 nan 3.960 nan 0.000 0.219 240 G C 0.924 175.837 174.900 0.022 0.000 1.131 240 G CA 1.968 47.077 45.100 0.014 0.000 0.775 240 G HN 0.522 8.709 8.290 0.004 0.105 0.547 241 D N 2.487 122.909 120.400 0.037 0.000 2.097 241 D HA -0.159 nan 4.640 nan 0.000 0.197 241 D C 2.249 178.579 176.300 0.051 0.000 0.984 241 D CA 2.985 57.025 54.000 0.067 0.000 0.826 241 D CB 0.005 40.883 40.800 0.130 0.000 0.973 241 D HN -0.601 7.648 8.370 0.017 0.131 0.460 242 I N -0.209 120.392 120.570 0.052 0.000 2.202 242 I HA -0.470 nan 4.170 nan 0.000 0.242 242 I C 2.087 178.201 176.117 -0.006 0.000 1.091 242 I CA 3.740 65.057 61.300 0.028 0.000 1.368 242 I CB 0.091 38.111 38.000 0.033 0.000 1.058 242 I HN -0.651 7.601 8.210 0.070 0.000 0.410 243 L N -1.326 119.886 121.223 -0.020 0.000 2.056 243 L HA -0.487 nan 4.340 nan 0.000 0.207 243 L C 2.206 179.052 176.870 -0.040 0.000 1.078 243 L CA 3.570 58.379 54.840 -0.052 0.000 0.749 243 L CB -0.721 41.290 42.059 -0.080 0.000 0.901 243 L HN 0.030 8.258 8.230 -0.002 0.000 0.433 244 S N 0.519 116.206 115.700 -0.022 0.000 2.359 244 S HA -0.429 nan 4.470 nan 0.000 0.224 244 S C 2.123 176.715 174.600 -0.012 0.000 1.035 244 S CA 4.007 62.197 58.200 -0.018 0.000 1.018 244 S CB -0.310 62.887 63.200 -0.006 0.000 0.876 244 S HN 0.257 8.449 8.310 -0.011 0.112 0.448 245 D N 1.823 122.221 120.400 -0.003 0.000 2.149 245 D HA -0.220 nan 4.640 nan 0.000 0.198 245 D C 2.721 179.016 176.300 -0.008 0.000 0.990 245 D CA 3.406 57.406 54.000 -0.000 0.000 0.839 245 D CB -0.104 40.701 40.800 0.008 0.000 0.948 245 D HN -0.577 7.796 8.370 0.004 0.000 0.460 246 L N 0.181 121.394 121.223 -0.017 0.000 2.056 246 L HA -0.219 nan 4.340 nan 0.000 0.207 246 L C 1.756 178.613 176.870 -0.023 0.000 1.078 246 L CA 2.913 57.739 54.840 -0.023 0.000 0.749 246 L CB -0.296 41.741 42.059 -0.037 0.000 0.901 246 L HN -0.175 7.959 8.230 -0.018 0.085 0.433 247 A N -1.669 121.133 122.820 -0.030 0.000 1.969 247 A HA -0.260 nan 4.320 nan 0.000 0.218 247 A C 2.303 179.875 177.584 -0.020 0.000 1.169 247 A CA 3.120 55.141 52.037 -0.028 0.000 0.635 247 A CB -0.763 18.215 19.000 -0.037 0.000 0.810 247 A HN 0.591 8.616 8.150 -0.034 0.104 0.445 248 S N -2.748 112.942 115.700 -0.016 0.000 2.442 248 S HA -0.254 nan 4.470 nan 0.000 0.236 248 S C 1.419 176.014 174.600 -0.007 0.000 1.007 248 S CA 3.223 61.417 58.200 -0.012 0.000 0.965 248 S CB 0.035 63.232 63.200 -0.005 0.000 0.773 248 S HN -0.010 8.270 8.310 -0.016 0.021 0.504 249 V N -5.512 114.398 119.914 -0.006 0.000 3.306 249 V HA 0.130 nan 4.120 nan 0.000 0.264 249 V C 1.512 177.604 176.094 -0.002 0.000 1.149 249 V CA 1.265 63.564 62.300 -0.002 0.000 1.143 249 V CB -0.735 31.087 31.823 -0.001 0.000 0.767 249 V HN -0.744 7.402 8.190 -0.008 0.039 0.476 250 L N -0.455 120.764 121.223 -0.007 0.000 2.046 250 L HA 0.022 nan 4.340 nan 0.000 0.208 250 L C -0.297 176.566 176.870 -0.011 0.000 1.077 250 L CA 2.702 57.539 54.840 -0.005 0.000 0.747 250 L CB -2.993 39.063 42.059 -0.005 0.000 0.896 250 L HN -0.282 7.781 8.230 -0.010 0.161 0.432 251 P HA 0.017 nan 4.420 nan 0.000 0.225 251 P C -0.357 176.944 177.300 0.001 0.000 1.156 251 P CA 0.506 63.590 63.100 -0.026 0.000 0.787 251 P CB 0.169 31.840 31.700 -0.049 0.000 0.802 252 G N -3.500 105.303 108.800 0.005 0.000 2.157 252 G HA2 -0.276 nan 3.960 nan 0.000 0.239 252 G HA3 -0.276 nan 3.960 nan 0.000 0.239 252 G C -0.915 173.995 174.900 0.016 0.000 0.982 252 G CA 0.130 45.238 45.100 0.012 0.000 0.650 252 G HN -0.518 7.639 8.290 0.001 0.133 0.527 253 S N -1.098 114.613 115.700 0.017 0.000 2.543 253 S HA 0.153 nan 4.470 nan 0.000 0.273 253 S C 0.100 174.717 174.600 0.028 0.000 1.152 253 S CA -0.706 57.506 58.200 0.021 0.000 0.910 253 S CB 1.569 64.783 63.200 0.024 0.000 1.105 253 S HN -0.682 7.592 8.310 0.014 0.045 0.465 254 L N 7.534 128.776 121.223 0.031 0.000 2.109 254 L HA 0.048 nan 4.340 nan 0.000 0.207 254 L C 1.018 177.939 176.870 0.084 0.000 1.086 254 L CA 1.445 56.315 54.840 0.051 0.000 0.760 254 L CB 0.343 42.434 42.059 0.053 0.000 0.910 254 L HN 0.593 8.837 8.230 0.024 0.000 0.437 255 G N -3.343 105.499 108.800 0.069 0.000 2.625 255 G HA2 -0.217 nan 3.960 nan 0.000 0.214 255 G HA3 -0.217 nan 3.960 nan 0.000 0.214 255 G C -0.160 174.800 174.900 0.099 0.000 1.132 255 G CA 1.698 46.855 45.100 0.095 0.000 0.782 255 G HN -0.226 8.086 8.290 0.037 0.000 0.538 256 L N -1.944 119.328 121.223 0.083 0.000 2.585 256 L HA 0.071 nan 4.340 nan 0.000 0.226 256 L C -0.265 176.660 176.870 0.092 0.000 1.113 256 L CA -0.313 54.590 54.840 0.104 0.000 0.876 256 L CB 0.282 42.406 42.059 0.108 0.000 1.072 256 L HN -0.824 7.371 8.230 0.067 0.075 0.468 257 L N -0.241 121.020 121.223 0.063 0.000 2.260 257 L HA 0.479 nan 4.340 nan 0.000 0.289 257 L C -1.880 174.999 176.870 0.015 0.000 1.057 257 L CA -2.237 52.623 54.840 0.032 0.000 0.811 257 L CB 0.021 42.088 42.059 0.013 0.000 1.184 257 L HN -0.540 7.682 8.230 0.071 0.050 0.429 258 P HA 0.807 nan 4.420 nan 0.000 0.289 258 P C -1.744 175.567 177.300 0.018 0.000 1.300 258 P CA -1.601 61.516 63.100 0.028 0.000 0.828 258 P CB 1.761 33.507 31.700 0.078 0.000 1.235 259 S N -3.170 112.547 115.700 0.028 0.000 2.615 259 S HA 0.261 nan 4.470 nan 0.000 0.268 259 S C -2.382 172.205 174.600 -0.021 0.000 1.146 259 S CA -0.608 57.587 58.200 -0.008 0.000 0.818 259 S CB 2.579 65.753 63.200 -0.045 0.000 1.111 259 S HN -0.357 7.987 8.310 0.057 0.000 0.465 260 A N -1.559 121.185 122.820 -0.126 0.000 2.587 260 A HA 0.691 nan 4.320 nan 0.000 0.293 260 A C -2.280 175.090 177.584 -0.356 0.000 1.087 260 A CA -0.423 51.409 52.037 -0.341 0.000 0.692 260 A CB 3.373 22.160 19.000 -0.355 0.000 1.291 260 A HN 0.387 8.465 8.150 -0.120 0.000 0.407 261 S N -1.139 114.273 115.700 -0.479 0.000 2.779 261 S HA 0.756 nan 4.470 nan 0.000 0.293 261 S C -1.838 172.494 174.600 -0.447 0.000 1.150 261 S CA -0.533 57.444 58.200 -0.372 0.000 1.057 261 S CB 1.632 64.660 63.200 -0.287 0.000 1.021 261 S HN 0.365 8.265 8.310 -0.685 0.000 0.485 262 L N 4.176 125.134 121.223 -0.442 0.000 2.331 262 L HA 0.660 nan 4.340 nan 0.000 0.275 262 L C -1.404 175.055 176.870 -0.686 0.000 1.022 262 L CA -1.359 53.201 54.840 -0.466 0.000 0.812 262 L CB 1.973 43.802 42.059 -0.384 0.000 1.257 262 L HN 0.658 8.643 8.230 -0.408 0.000 0.435 263 G N 0.211 108.658 108.800 -0.589 0.000 2.635 263 G HA2 0.274 nan 3.960 nan 0.000 0.194 263 G HA3 0.274 nan 3.960 nan 0.000 0.194 263 G C -1.001 173.795 174.900 -0.173 0.000 1.198 263 G CA 0.982 45.663 45.100 -0.699 0.000 0.972 263 G HN -0.343 7.716 8.290 -0.384 0.000 0.520 264 R N 1.210 121.732 120.500 0.036 0.000 2.093 264 R HA 0.100 nan 4.340 nan 0.000 0.224 264 R C 0.522 176.828 176.300 0.010 0.000 1.101 264 R CA 1.229 57.377 56.100 0.080 0.000 0.979 264 R CB 1.026 31.393 30.300 0.111 0.000 0.877 264 R HN 0.344 8.544 8.270 0.069 0.111 0.441 265 G N -2.705 106.080 108.800 -0.026 0.000 2.849 265 G HA2 0.303 nan 3.960 nan 0.000 0.174 265 G HA3 0.303 nan 3.960 nan 0.000 0.174 265 G C -1.440 173.423 174.900 -0.062 0.000 1.370 265 G CA -0.991 44.090 45.100 -0.033 0.000 1.040 265 G HN -0.275 7.921 8.290 -0.038 0.071 0.582 266 T N 2.855 117.376 114.554 -0.056 0.000 2.793 266 T HA 0.042 nan 4.350 nan 0.000 0.289 266 T C -1.121 173.506 174.700 -0.121 0.000 0.956 266 T CA -0.282 61.781 62.100 -0.062 0.000 1.177 266 T CB -0.809 68.036 68.868 -0.038 0.000 0.897 266 T HN -0.547 7.938 8.240 -0.040 -0.269 0.533 267 P HA 0.163 nan 4.420 nan 0.000 0.271 267 P C -2.006 175.056 177.300 -0.397 0.000 1.216 267 P CA -0.204 62.716 63.100 -0.299 0.000 0.776 267 P CB 0.598 32.176 31.700 -0.202 0.000 0.881 268 V N 1.568 121.108 119.914 -0.623 0.000 2.495 268 V HA 0.696 nan 4.120 nan 0.000 0.298 268 V C -1.278 174.329 176.094 -0.810 0.000 1.031 268 V CA -0.728 61.268 62.300 -0.507 0.000 0.871 268 V CB 2.326 33.945 31.823 -0.340 0.000 0.988 268 V HN -0.033 7.769 8.190 -0.646 0.000 0.432 269 F N 5.107 125.004 119.950 -0.090 0.000 2.529 269 F HA 0.718 nan 4.527 nan 0.000 0.320 269 F C -1.996 173.762 175.800 -0.070 0.000 1.118 269 F CA -1.657 56.303 58.000 -0.068 0.000 0.915 269 F CB 3.200 42.182 39.000 -0.030 0.000 1.161 269 F HN 0.732 9.050 8.300 0.030 0.000 0.445 270 E N -0.891 119.337 120.200 0.046 0.000 2.390 270 E HA 0.579 nan 4.350 nan 0.000 0.280 270 E C -2.869 173.695 176.600 -0.061 0.000 0.992 270 E CA -3.162 53.229 56.400 -0.015 0.000 0.790 270 E CB 2.014 31.677 29.700 -0.062 0.000 1.248 270 E HN 0.500 8.879 8.360 0.032 0.000 0.447 271 P HA 0.084 nan 4.420 nan 0.000 0.272 271 P C -0.461 176.659 177.300 -0.299 0.000 1.223 271 P CA -0.115 62.815 63.100 -0.283 0.000 0.784 271 P CB 0.569 31.905 31.700 -0.608 0.000 0.923 272 V N -0.788 118.996 119.914 -0.216 0.000 2.719 272 V HA -0.137 nan 4.120 nan 0.000 0.252 272 V C 0.443 176.487 176.094 -0.083 0.000 1.065 272 V CA 1.487 63.720 62.300 -0.111 0.000 1.086 272 V CB -0.059 31.740 31.823 -0.039 0.000 0.700 272 V HN 0.471 8.559 8.190 -0.169 0.000 0.467 273 H N -0.770 118.313 119.070 0.021 0.000 2.757 273 H HA 0.032 nan 4.556 nan 0.000 0.370 273 H C 0.300 175.643 175.328 0.026 0.000 1.172 273 H CA -0.785 55.275 56.048 0.019 0.000 1.426 273 H CB -0.123 29.648 29.762 0.015 0.000 1.438 273 H HN -0.306 7.734 8.280 -0.353 0.028 0.612 274 G N -0.799 108.163 108.800 0.271 0.000 2.494 274 G HA2 0.003 nan 3.960 nan 0.000 0.270 274 G HA3 0.003 nan 3.960 nan 0.000 0.270 274 G C -0.505 174.536 174.900 0.235 0.000 1.423 274 G CA -0.797 44.420 45.100 0.196 0.000 1.055 274 G HN 0.192 8.612 8.290 0.217 0.000 0.536 275 S N -0.854 114.935 115.700 0.148 0.000 2.527 275 S HA -0.206 nan 4.470 nan 0.000 0.222 275 S C 0.701 175.342 174.600 0.069 0.000 0.985 275 S CA 1.281 59.556 58.200 0.126 0.000 0.921 275 S CB 0.277 63.562 63.200 0.142 0.000 0.772 275 S HN 0.366 8.752 8.310 0.126 0.000 0.529 276 A N 1.719 124.564 122.820 0.042 0.000 2.103 276 A HA -0.252 nan 4.320 nan 0.000 0.269 276 A C -1.315 176.281 177.584 0.019 0.000 1.346 276 A CA 0.093 52.135 52.037 0.009 0.000 0.755 276 A CB -1.589 17.386 19.000 -0.040 0.000 1.146 276 A HN 0.231 8.373 8.150 0.057 0.042 0.330 277 P HA -0.235 nan 4.420 nan 0.000 0.215 277 P C 0.629 177.940 177.300 0.018 0.000 1.153 277 P CA 2.272 65.396 63.100 0.040 0.000 0.853 277 P CB -0.263 31.461 31.700 0.040 0.000 0.788 278 D N -2.489 117.915 120.400 0.006 0.000 2.309 278 D HA -0.152 nan 4.640 nan 0.000 0.212 278 D C 0.959 177.258 176.300 -0.002 0.000 0.968 278 D CA 2.356 56.355 54.000 -0.001 0.000 0.882 278 D CB -0.669 40.128 40.800 -0.006 0.000 0.918 278 D HN 0.600 8.974 8.370 0.007 0.000 0.503 279 I N -8.064 112.504 120.570 -0.004 0.000 4.057 279 I HA 0.271 nan 4.170 nan 0.000 0.334 279 I C -0.545 175.570 176.117 -0.004 0.000 1.308 279 I CA -1.089 60.205 61.300 -0.010 0.000 1.125 279 I CB 0.477 38.463 38.000 -0.024 0.000 1.034 279 I HN -0.717 7.449 8.210 -0.003 0.043 0.401 280 A N -0.028 122.797 122.820 0.008 0.000 2.531 280 A HA -0.242 nan 4.320 nan 0.000 0.236 280 A C 1.149 178.746 177.584 0.021 0.000 1.062 280 A CA 1.215 53.265 52.037 0.021 0.000 0.760 280 A CB -0.367 18.658 19.000 0.041 0.000 0.995 280 A HN -0.450 7.528 8.150 0.011 0.178 0.501 281 G N 2.685 111.501 108.800 0.025 0.000 2.435 281 G HA2 -0.374 nan 3.960 nan 0.000 0.245 281 G HA3 -0.374 nan 3.960 nan 0.000 0.245 281 G C 0.288 175.199 174.900 0.017 0.000 1.073 281 G CA 1.354 46.469 45.100 0.024 0.000 0.638 281 G HN 0.513 9.138 8.290 0.029 -0.318 0.521 282 K N 2.106 122.512 120.400 0.011 0.000 2.519 282 K HA -0.102 nan 4.320 nan 0.000 0.196 282 K C 1.115 177.720 176.600 0.009 0.000 1.041 282 K CA 0.097 56.389 56.287 0.007 0.000 0.954 282 K CB -0.325 32.175 32.500 0.001 0.000 0.774 282 K HN -0.424 7.718 8.250 0.009 0.114 0.480 283 G N -2.537 106.270 108.800 0.011 0.000 2.168 283 G HA2 -0.371 nan 3.960 nan 0.000 0.257 283 G HA3 -0.371 nan 3.960 nan 0.000 0.257 283 G C -0.103 174.803 174.900 0.011 0.000 0.997 283 G CA 0.983 46.092 45.100 0.016 0.000 0.708 283 G HN 0.036 8.342 8.290 0.012 -0.009 0.520 284 I N -6.345 114.223 120.570 -0.003 0.000 3.974 284 I HA 0.367 nan 4.170 nan 0.000 0.334 284 I C -1.201 174.890 176.117 -0.042 0.000 1.437 284 I CA -1.715 59.576 61.300 -0.015 0.000 1.113 284 I CB -0.225 37.766 38.000 -0.015 0.000 1.063 284 I HN -0.351 7.810 8.210 -0.006 0.045 0.400 285 A N 0.721 123.513 122.820 -0.046 0.000 2.404 285 A HA -0.103 nan 4.320 nan 0.000 0.273 285 A C -0.843 176.678 177.584 -0.105 0.000 1.144 285 A CA -0.524 51.462 52.037 -0.086 0.000 0.806 285 A CB 0.076 19.026 19.000 -0.083 0.000 1.080 285 A HN -0.598 7.478 8.150 -0.027 0.058 0.509 286 N N 4.416 123.021 118.700 -0.159 0.000 2.438 286 N HA -0.030 nan 4.740 nan 0.000 0.267 286 N C -0.533 174.894 175.510 -0.139 0.000 1.222 286 N CA -2.188 50.722 53.050 -0.233 0.000 0.930 286 N CB 0.830 39.167 38.487 -0.250 0.000 1.083 286 N HN 0.312 8.596 8.380 -0.160 0.000 0.476 287 P HA 0.191 nan 4.420 nan 0.000 0.257 287 P C 0.019 177.381 177.300 0.104 0.000 1.281 287 P CA 0.309 63.443 63.100 0.056 0.000 0.826 287 P CB 0.383 32.159 31.700 0.126 0.000 1.237 288 T N 3.231 117.798 114.554 0.023 0.000 2.635 288 T HA -0.305 nan 4.350 nan 0.000 0.267 288 T C 1.595 176.381 174.700 0.144 0.000 1.040 288 T CA 5.177 67.349 62.100 0.120 0.000 1.156 288 T CB -0.500 68.401 68.868 0.056 0.000 0.863 288 T HN 0.082 8.155 8.240 -0.142 0.082 0.430 289 A N 0.544 123.446 122.820 0.136 0.000 1.883 289 A HA -0.378 nan 4.320 nan 0.000 0.217 289 A C 1.543 179.179 177.584 0.087 0.000 1.186 289 A CA 3.418 55.522 52.037 0.112 0.000 0.624 289 A CB -1.111 17.949 19.000 0.100 0.000 0.822 289 A HN -0.123 8.109 8.150 0.136 0.000 0.444 290 A N -1.717 121.170 122.820 0.112 0.000 1.930 290 A HA -0.249 nan 4.320 nan 0.000 0.217 290 A C 2.315 179.949 177.584 0.082 0.000 1.175 290 A CA 2.707 54.797 52.037 0.088 0.000 0.627 290 A CB -0.862 18.205 19.000 0.111 0.000 0.815 290 A HN -0.013 8.235 8.150 0.162 0.000 0.443 291 I N -1.147 119.486 120.570 0.105 0.000 2.202 291 I HA -0.551 nan 4.170 nan 0.000 0.242 291 I C 1.869 178.036 176.117 0.083 0.000 1.091 291 I CA 4.187 65.543 61.300 0.093 0.000 1.368 291 I CB 0.013 38.092 38.000 0.131 0.000 1.058 291 I HN -0.003 8.284 8.210 0.128 0.000 0.410 292 L N -1.255 120.035 121.223 0.111 0.000 2.131 292 L HA -0.449 nan 4.340 nan 0.000 0.210 292 L C 2.206 179.130 176.870 0.091 0.000 1.092 292 L CA 3.445 58.356 54.840 0.118 0.000 0.759 292 L CB -0.761 41.398 42.059 0.167 0.000 0.903 292 L HN 0.507 8.814 8.230 0.129 0.000 0.435 293 S N -0.737 115.014 115.700 0.085 0.000 2.423 293 S HA -0.267 nan 4.470 nan 0.000 0.231 293 S C 1.381 175.989 174.600 0.013 0.000 1.014 293 S CA 3.721 61.980 58.200 0.099 0.000 0.965 293 S CB -0.869 62.400 63.200 0.115 0.000 0.785 293 S HN -0.007 8.252 8.310 0.084 0.102 0.495 294 A N 1.067 123.886 122.820 -0.001 0.000 1.929 294 A HA -0.128 nan 4.320 nan 0.000 0.216 294 A C 1.413 178.949 177.584 -0.081 0.000 1.176 294 A CA 2.661 54.666 52.037 -0.052 0.000 0.628 294 A CB -0.981 18.008 19.000 -0.018 0.000 0.816 294 A HN -0.450 7.583 8.150 0.031 0.135 0.444 295 A N -0.576 122.228 122.820 -0.027 0.000 1.858 295 A HA -0.358 nan 4.320 nan 0.000 0.216 295 A C 1.946 179.499 177.584 -0.052 0.000 1.190 295 A CA 3.111 55.137 52.037 -0.017 0.000 0.617 295 A CB -0.892 18.128 19.000 0.033 0.000 0.827 295 A HN -0.298 7.770 8.150 0.009 0.087 0.443 296 M N -1.988 117.602 119.600 -0.017 0.000 2.144 296 M HA -0.491 nan 4.480 nan 0.000 0.260 296 M C 2.230 178.379 176.300 -0.251 0.000 1.067 296 M CA 4.131 59.465 55.300 0.058 0.000 1.095 296 M CB -0.052 32.688 32.600 0.233 0.000 1.365 296 M HN 0.206 8.511 8.290 0.024 0.000 0.406 297 M N 0.289 119.451 119.600 -0.731 0.000 2.099 297 M HA -0.343 nan 4.480 nan 0.000 0.262 297 M C 2.024 178.100 176.300 -0.373 0.000 1.067 297 M CA 3.861 58.438 55.300 -1.205 0.000 1.124 297 M CB -0.122 31.930 32.600 -0.913 0.000 1.353 297 M HN -0.586 7.289 8.290 -0.494 0.119 0.410 298 L N -1.503 119.648 121.223 -0.121 0.000 1.989 298 L HA -0.530 nan 4.340 nan 0.000 0.211 298 L C 2.072 178.945 176.870 0.006 0.000 1.071 298 L CA 3.107 57.983 54.840 0.059 0.000 0.749 298 L CB -0.753 41.313 42.059 0.011 0.000 0.890 298 L HN -0.034 8.026 8.230 -0.158 0.075 0.431 299 E N -1.012 119.131 120.200 -0.095 0.000 2.012 299 E HA -0.430 nan 4.350 nan 0.000 0.197 299 E C 2.683 179.142 176.600 -0.236 0.000 1.007 299 E CA 3.308 59.599 56.400 -0.182 0.000 0.816 299 E CB 0.003 29.531 29.700 -0.286 0.000 0.762 299 E HN -0.132 8.166 8.360 -0.103 0.000 0.451 300 H N -1.076 117.970 119.070 -0.040 0.000 2.333 300 H HA -0.160 nan 4.556 nan 0.000 0.302 300 H C 1.808 177.107 175.328 -0.048 0.000 1.075 300 H CA 2.720 58.777 56.048 0.013 0.000 1.348 300 H CB 0.187 30.050 29.762 0.169 0.000 1.393 300 H HN 0.087 8.169 8.280 -0.156 0.105 0.509 301 A N -2.323 120.449 122.820 -0.080 0.000 1.930 301 A HA -0.107 nan 4.320 nan 0.000 0.215 301 A C 0.545 177.710 177.584 -0.698 0.000 1.176 301 A CA 2.342 54.131 52.037 -0.414 0.000 0.632 301 A CB 0.532 19.138 19.000 -0.657 0.000 0.819 301 A HN -0.139 7.804 8.150 -0.168 0.106 0.445 302 F N -4.286 115.662 119.950 -0.002 0.000 2.661 302 F HA 0.274 nan 4.527 nan 0.000 0.306 302 F C 0.513 176.304 175.800 -0.015 0.000 1.094 302 F CA -0.579 57.417 58.000 -0.007 0.000 1.254 302 F CB 0.269 39.255 39.000 -0.022 0.000 1.040 302 F HN -0.359 7.832 8.300 -0.183 0.000 0.562 303 G N -0.695 108.140 108.800 0.058 0.000 2.186 303 G HA2 -0.456 nan 3.960 nan 0.000 0.266 303 G HA3 -0.456 nan 3.960 nan 0.000 0.266 303 G C -0.102 174.815 174.900 0.028 0.000 0.982 303 G CA 1.030 46.146 45.100 0.028 0.000 0.670 303 G HN -0.329 7.959 8.290 -0.004 0.000 0.533 304 L N 0.853 122.108 121.223 0.052 0.000 2.437 304 L HA -0.045 nan 4.340 nan 0.000 0.243 304 L C 0.221 177.088 176.870 -0.005 0.000 1.346 304 L CA -0.797 54.060 54.840 0.029 0.000 1.233 304 L CB -2.154 39.930 42.059 0.042 0.000 1.436 304 L HN -0.277 7.933 8.230 0.097 0.078 0.416 305 V N 2.567 122.468 119.914 -0.022 0.000 2.343 305 V HA -0.522 nan 4.120 nan 0.000 0.247 305 V C 1.829 177.911 176.094 -0.020 0.000 1.051 305 V CA 4.351 66.628 62.300 -0.039 0.000 1.036 305 V CB -0.897 30.902 31.823 -0.039 0.000 0.654 305 V HN 0.342 8.459 8.190 -0.014 0.066 0.451 306 E N -1.372 118.823 120.200 -0.009 0.000 2.118 306 E HA -0.367 nan 4.350 nan 0.000 0.195 306 E C 2.400 178.997 176.600 -0.005 0.000 0.992 306 E CA 2.648 59.046 56.400 -0.004 0.000 0.804 306 E CB -1.237 28.462 29.700 -0.001 0.000 0.741 306 E HN 0.264 8.602 8.360 -0.007 0.018 0.458 307 L N -0.317 120.902 121.223 -0.006 0.000 2.072 307 L HA -0.200 nan 4.340 nan 0.000 0.205 307 L C 1.790 178.655 176.870 -0.008 0.000 1.079 307 L CA 1.986 56.821 54.840 -0.008 0.000 0.752 307 L CB -0.447 41.606 42.059 -0.009 0.000 0.906 307 L HN -0.875 7.251 8.230 -0.005 0.101 0.436 308 A N -0.800 122.014 122.820 -0.011 0.000 1.908 308 A HA -0.391 nan 4.320 nan 0.000 0.218 308 A C 2.230 179.819 177.584 0.008 0.000 1.181 308 A CA 3.366 55.399 52.037 -0.008 0.000 0.627 308 A CB -0.893 18.091 19.000 -0.027 0.000 0.818 308 A HN -0.019 8.122 8.150 -0.014 0.000 0.445 309 R N -2.937 117.567 120.500 0.007 0.000 2.081 309 R HA -0.309 nan 4.340 nan 0.000 0.235 309 R C 2.579 178.882 176.300 0.004 0.000 1.131 309 R CA 2.729 58.839 56.100 0.017 0.000 0.960 309 R CB -0.464 29.843 30.300 0.013 0.000 0.856 309 R HN -0.206 8.054 8.270 -0.002 0.009 0.436 310 K N 0.237 120.635 120.400 -0.005 0.000 2.002 310 K HA -0.264 nan 4.320 nan 0.000 0.209 310 K C 2.368 178.954 176.600 -0.023 0.000 1.048 310 K CA 3.438 59.716 56.287 -0.014 0.000 0.930 310 K CB -0.173 32.321 32.500 -0.010 0.000 0.714 310 K HN -0.723 7.439 8.250 -0.003 0.086 0.438 311 V N -0.475 119.430 119.914 -0.015 0.000 2.332 311 V HA -0.437 nan 4.120 nan 0.000 0.248 311 V C 1.975 178.050 176.094 -0.031 0.000 1.055 311 V CA 4.652 66.942 62.300 -0.016 0.000 1.038 311 V CB -1.054 30.768 31.823 -0.001 0.000 0.651 311 V HN 0.094 8.279 8.190 -0.009 0.000 0.450 312 E N -1.096 119.096 120.200 -0.014 0.000 2.110 312 E HA -0.417 nan 4.350 nan 0.000 0.193 312 E C 2.111 178.605 176.600 -0.177 0.000 0.988 312 E CA 3.548 59.934 56.400 -0.024 0.000 0.804 312 E CB -0.250 29.504 29.700 0.090 0.000 0.745 312 E HN -0.226 8.128 8.360 0.004 0.009 0.458 313 D N -0.461 119.865 120.400 -0.124 0.000 2.123 313 D HA -0.194 nan 4.640 nan 0.000 0.200 313 D C 2.192 178.357 176.300 -0.224 0.000 0.976 313 D CA 2.961 56.860 54.000 -0.168 0.000 0.831 313 D CB -0.455 40.290 40.800 -0.091 0.000 0.974 313 D HN -0.312 7.921 8.370 -0.066 0.097 0.469 314 A N 0.307 123.031 122.820 -0.161 0.000 1.865 314 A HA -0.264 nan 4.320 nan 0.000 0.217 314 A C 2.177 179.627 177.584 -0.222 0.000 1.191 314 A CA 3.332 55.275 52.037 -0.157 0.000 0.623 314 A CB -0.570 18.400 19.000 -0.050 0.000 0.826 314 A HN 0.121 8.206 8.150 -0.109 0.000 0.444 315 V N -0.931 118.869 119.914 -0.190 0.000 2.287 315 V HA -0.520 nan 4.120 nan 0.000 0.248 315 V C 1.880 177.820 176.094 -0.257 0.000 1.053 315 V CA 4.331 66.537 62.300 -0.155 0.000 1.027 315 V CB -1.335 30.447 31.823 -0.067 0.000 0.646 315 V HN 0.081 8.179 8.190 -0.153 0.000 0.447 316 A N -1.598 120.919 122.820 -0.505 0.000 1.892 316 A HA -0.424 nan 4.320 nan 0.000 0.218 316 A C 2.041 179.448 177.584 -0.295 0.000 1.188 316 A CA 3.507 55.206 52.037 -0.565 0.000 0.631 316 A CB -0.832 17.761 19.000 -0.678 0.000 0.822 316 A HN -0.252 7.569 8.150 -0.547 0.000 0.447 317 K N -1.667 118.523 120.400 -0.350 0.000 2.057 317 K HA -0.362 nan 4.320 nan 0.000 0.207 317 K C 2.214 178.639 176.600 -0.292 0.000 1.049 317 K CA 3.000 59.039 56.287 -0.414 0.000 0.931 317 K CB -0.015 31.973 32.500 -0.854 0.000 0.714 317 K HN -0.300 7.647 8.250 -0.383 0.074 0.440 318 A N -0.001 122.662 122.820 -0.263 0.000 1.908 318 A HA -0.248 nan 4.320 nan 0.000 0.218 318 A C 2.278 179.884 177.584 0.037 0.000 1.181 318 A CA 3.127 55.046 52.037 -0.197 0.000 0.627 318 A CB -0.880 17.783 19.000 -0.561 0.000 0.818 318 A HN 0.201 8.095 8.150 -0.310 0.070 0.445 319 L N -3.632 117.683 121.223 0.154 0.000 2.079 319 L HA -0.349 nan 4.340 nan 0.000 0.210 319 L C 1.344 178.293 176.870 0.131 0.000 1.081 319 L CA 2.648 57.638 54.840 0.251 0.000 0.752 319 L CB -0.173 41.993 42.059 0.179 0.000 0.896 319 L HN -0.150 8.112 8.230 0.053 0.000 0.433 320 L N -4.175 117.077 121.223 0.049 0.000 2.131 320 L HA -0.213 nan 4.340 nan 0.000 0.206 320 L C 1.449 178.343 176.870 0.040 0.000 1.087 320 L CA 1.922 56.782 54.840 0.033 0.000 0.767 320 L CB 0.179 42.234 42.059 -0.006 0.000 0.917 320 L HN -0.830 7.288 8.230 -0.001 0.111 0.441 321 E N -0.893 119.329 120.200 0.036 0.000 2.021 321 E HA -0.103 nan 4.350 nan 0.000 0.189 321 E C 0.592 177.233 176.600 0.068 0.000 0.980 321 E CA 1.807 58.239 56.400 0.054 0.000 0.803 321 E CB 1.257 31.008 29.700 0.085 0.000 0.766 321 E HN -0.041 8.247 8.360 0.011 0.079 0.449 322 T N -2.403 112.206 114.554 0.092 0.000 3.466 322 T HA 0.453 nan 4.350 nan 0.000 0.297 322 T C -2.345 172.502 174.700 0.245 0.000 1.640 322 T CA -2.765 59.412 62.100 0.127 0.000 1.631 322 T CB -0.103 68.821 68.868 0.093 0.000 0.928 322 T HN -0.076 8.114 8.240 0.084 0.101 0.688 323 P HA 0.187 nan 4.420 nan 0.000 0.264 323 P C -1.995 175.372 177.300 0.111 0.000 1.183 323 P CA -1.268 61.936 63.100 0.174 0.000 0.763 323 P CB -0.760 30.999 31.700 0.098 0.000 0.807 324 P HA 0.119 nan 4.420 nan 0.000 0.273 324 P C -0.735 176.543 177.300 -0.037 0.000 1.250 324 P CA -1.325 61.728 63.100 -0.078 0.000 0.793 324 P CB -0.887 30.641 31.700 -0.287 0.000 1.011 325 P HA -0.235 nan 4.420 nan 0.000 0.216 325 P C 0.637 177.922 177.300 -0.025 0.000 1.150 325 P CA 2.895 65.983 63.100 -0.019 0.000 0.837 325 P CB -0.046 31.642 31.700 -0.019 0.000 0.786 326 D N -3.749 116.625 120.400 -0.044 0.000 2.309 326 D HA -0.233 nan 4.640 nan 0.000 0.212 326 D C 0.903 177.190 176.300 -0.023 0.000 0.968 326 D CA 1.883 55.861 54.000 -0.036 0.000 0.882 326 D CB -1.342 39.428 40.800 -0.049 0.000 0.918 326 D HN 0.461 8.792 8.370 -0.065 0.000 0.503 327 L N -1.288 119.921 121.223 -0.023 0.000 2.685 327 L HA 0.159 nan 4.340 nan 0.000 0.233 327 L C -0.143 176.734 176.870 0.010 0.000 1.173 327 L CA -0.574 54.265 54.840 -0.002 0.000 0.961 327 L CB -0.272 41.789 42.059 0.004 0.000 1.217 327 L HN -0.566 7.480 8.230 -0.036 0.162 0.478 328 G N -0.792 108.011 108.800 0.006 0.000 2.326 328 G HA2 -0.375 nan 3.960 nan 0.000 0.286 328 G HA3 -0.375 nan 3.960 nan 0.000 0.286 328 G C -0.774 174.137 174.900 0.019 0.000 1.096 328 G CA 0.360 45.467 45.100 0.012 0.000 1.003 328 G HN -0.210 7.891 8.290 -0.002 0.187 0.503 329 G N -0.788 108.022 108.800 0.018 0.000 3.022 329 G HA2 0.500 nan 3.960 nan 0.000 0.284 329 G HA3 0.500 nan 3.960 nan 0.000 0.284 329 G C -1.625 173.291 174.900 0.027 0.000 1.375 329 G CA -0.349 44.770 45.100 0.031 0.000 0.902 329 G HN -0.725 7.459 8.290 0.008 0.111 0.538 330 S N -2.605 113.118 115.700 0.039 0.000 2.937 330 S HA 0.097 nan 4.470 nan 0.000 0.252 330 S C -0.606 174.023 174.600 0.048 0.000 1.022 330 S CA -0.231 57.989 58.200 0.034 0.000 1.079 330 S CB 1.255 64.472 63.200 0.029 0.000 1.035 330 S HN 0.253 8.594 8.310 0.051 0.000 0.594 331 A N 3.527 126.391 122.820 0.074 0.000 2.279 331 A HA 0.197 nan 4.320 nan 0.000 0.306 331 A C -0.505 177.140 177.584 0.102 0.000 1.300 331 A CA -0.351 51.754 52.037 0.112 0.000 0.925 331 A CB 0.269 19.387 19.000 0.196 0.000 1.152 331 A HN -0.974 7.222 8.150 0.076 0.000 0.544 332 G N 3.255 112.103 108.800 0.080 0.000 2.653 332 G HA2 0.074 nan 3.960 nan 0.000 0.265 332 G HA3 0.074 nan 3.960 nan 0.000 0.265 332 G C 0.440 175.399 174.900 0.099 0.000 1.237 332 G CA -0.791 44.345 45.100 0.060 0.000 0.946 332 G HN -0.173 8.160 8.290 0.072 0.000 0.522 333 T N 2.739 117.334 114.554 0.068 0.000 2.592 333 T HA -0.529 nan 4.350 nan 0.000 0.267 333 T C 2.469 177.254 174.700 0.141 0.000 1.060 333 T CA 5.386 67.544 62.100 0.095 0.000 1.167 333 T CB -0.319 68.583 68.868 0.057 0.000 0.863 333 T HN 0.135 8.291 8.240 0.039 0.107 0.431 334 E N 0.866 121.123 120.200 0.095 0.000 2.031 334 E HA -0.392 nan 4.350 nan 0.000 0.193 334 E C 1.708 178.355 176.600 0.078 0.000 0.994 334 E CA 3.389 59.836 56.400 0.077 0.000 0.800 334 E CB -0.707 29.023 29.700 0.050 0.000 0.752 334 E HN 0.184 8.588 8.360 0.074 0.000 0.447 335 A N -0.888 121.981 122.820 0.082 0.000 1.940 335 A HA -0.193 nan 4.320 nan 0.000 0.219 335 A C 2.166 179.799 177.584 0.081 0.000 1.176 335 A CA 2.702 54.778 52.037 0.066 0.000 0.631 335 A CB -0.824 18.216 19.000 0.067 0.000 0.814 335 A HN -0.103 8.096 8.150 0.081 0.000 0.446 336 F N -1.578 118.382 119.950 0.015 0.000 2.146 336 F HA -0.359 nan 4.527 nan 0.000 0.298 336 F C 1.565 177.378 175.800 0.022 0.000 1.096 336 F CA 3.680 61.693 58.000 0.021 0.000 1.275 336 F CB 0.494 39.506 39.000 0.021 0.000 1.008 336 F HN 0.154 8.604 8.300 0.267 0.011 0.480 337 T N 1.910 116.515 114.554 0.086 0.000 2.867 337 T HA -0.404 nan 4.350 nan 0.000 0.268 337 T C 1.679 176.327 174.700 -0.086 0.000 1.057 337 T CA 4.627 66.727 62.100 0.001 0.000 1.136 337 T CB -0.894 68.022 68.868 0.081 0.000 0.874 337 T HN -0.124 8.245 8.240 0.215 0.000 0.466 338 A N 1.373 124.153 122.820 -0.066 0.000 1.877 338 A HA -0.286 nan 4.320 nan 0.000 0.216 338 A C 1.565 179.074 177.584 -0.125 0.000 1.186 338 A CA 3.431 55.424 52.037 -0.073 0.000 0.620 338 A CB -0.912 18.061 19.000 -0.045 0.000 0.822 338 A HN -0.023 7.993 8.150 -0.026 0.119 0.443 339 T N 1.436 115.886 114.554 -0.174 0.000 2.788 339 T HA -0.330 nan 4.350 nan 0.000 0.268 339 T C 2.078 176.694 174.700 -0.140 0.000 1.044 339 T CA 4.756 66.746 62.100 -0.182 0.000 1.139 339 T CB -0.473 68.275 68.868 -0.199 0.000 0.867 339 T HN -0.529 7.605 8.240 -0.176 0.000 0.454 340 V N 2.179 121.949 119.914 -0.241 0.000 2.307 340 V HA -0.352 nan 4.120 nan 0.000 0.245 340 V C 1.733 177.787 176.094 -0.067 0.000 1.045 340 V CA 4.214 66.422 62.300 -0.154 0.000 1.024 340 V CB -0.871 30.835 31.823 -0.196 0.000 0.651 340 V HN -0.529 7.351 8.190 -0.360 0.094 0.449 341 L N -2.672 118.500 121.223 -0.085 0.000 2.046 341 L HA -0.439 nan 4.340 nan 0.000 0.208 341 L C 2.899 179.719 176.870 -0.083 0.000 1.077 341 L CA 3.064 57.866 54.840 -0.064 0.000 0.747 341 L CB -0.679 41.347 42.059 -0.056 0.000 0.896 341 L HN -0.117 8.049 8.230 -0.107 0.000 0.432 342 R N -1.045 119.370 120.500 -0.140 0.000 2.091 342 R HA -0.338 nan 4.340 nan 0.000 0.238 342 R C 2.888 179.037 176.300 -0.251 0.000 1.136 342 R CA 3.318 59.286 56.100 -0.220 0.000 0.959 342 R CB -0.254 29.854 30.300 -0.320 0.000 0.856 342 R HN 0.262 8.368 8.270 -0.144 0.077 0.437 343 H N -2.731 116.287 119.070 -0.086 0.000 2.555 343 H HA -0.050 nan 4.556 nan 0.000 0.269 343 H C 0.759 176.047 175.328 -0.067 0.000 0.988 343 H CA 2.130 58.131 56.048 -0.078 0.000 1.178 343 H CB 0.010 29.714 29.762 -0.097 0.000 1.373 343 H HN -0.508 7.602 8.280 -0.141 0.085 0.588 344 L N -1.868 119.368 121.223 0.021 0.000 2.554 344 L HA 0.062 nan 4.340 nan 0.000 0.225 344 L C -0.172 176.690 176.870 -0.014 0.000 1.104 344 L CA -0.465 54.376 54.840 0.001 0.000 0.866 344 L CB 0.844 42.896 42.059 -0.011 0.000 1.047 344 L HN -0.336 7.668 8.230 -0.014 0.218 0.468 345 A N 0.000 122.803 122.820 -0.029 0.000 2.254 345 A HA 0.000 nan 4.320 nan 0.000 0.244 345 A CA 0.000 52.018 52.037 -0.032 0.000 0.836 345 A CB 0.000 18.972 19.000 -0.046 0.000 0.831 345 A HN 0.000 7.969 8.150 -0.042 0.156 0.486