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 1g37_1_A DATA FIRST_RESID 1 DATA SEQUENCE cGLRPLFEKK SLEIXIVEGS DAEIGMSPWQ VMLFRSPQEL LcGASLISDR DATA SEQUENCE WVLTAAHcLT ENDLLVRIGK HSRTRYRNIE KISMLEKIYI HPRYNWENLD DATA SEQUENCE RDIALMKLKK PVAFSDYIHP VcLPDRETLL QAGYKGRVTG WGNLKETXXG DATA SEQUENCE QPSVLQVVNL PIVERPVcKD STRIRITDNM FcAYKKRGDA cEGDSGGPFV DATA SEQUENCE MKSNNRWYQM GIVSWGEXGc RDGKYGFYTH VFRLKKWIQK VIDQF 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 c HA 0.000 nan 4.570 nan 0.000 0.325 1 c C 0.000 174.106 174.090 0.027 0.000 1.270 1 c CA 0.000 56.322 56.329 -0.012 0.000 1.963 1 c CB 0.000 42.449 42.510 -0.102 0.000 2.134 2 G N 1.933 110.779 108.800 0.076 0.000 2.184 2 G HA2 -0.454 nan 3.960 nan 0.000 0.264 2 G HA3 -0.454 nan 3.960 nan 0.000 0.264 2 G C -1.282 173.817 174.900 0.331 0.000 0.975 2 G CA 1.304 46.443 45.100 0.064 0.000 0.642 2 G HN 0.691 9.062 8.290 0.134 0.000 0.536 3 L N 0.407 121.799 121.223 0.282 0.000 2.262 3 L HA 0.120 nan 4.340 nan 0.000 0.288 3 L C -0.980 175.881 176.870 -0.015 0.000 1.035 3 L CA -1.433 53.513 54.840 0.176 0.000 0.820 3 L CB -0.005 42.106 42.059 0.087 0.000 1.204 3 L HN -0.495 7.835 8.230 0.313 0.088 0.424 4 R N 4.497 125.061 120.500 0.105 0.000 2.340 4 R HA 0.149 nan 4.340 nan 0.000 0.300 4 R C -1.063 175.164 176.300 -0.122 0.000 1.069 4 R CA -1.382 54.689 56.100 -0.048 0.000 0.984 4 R CB -0.936 29.423 30.300 0.097 0.000 1.003 4 R HN 0.067 8.809 8.270 0.272 -0.309 0.459 5 P HA -0.242 nan 4.420 nan 0.000 0.216 5 P C -0.625 176.552 177.300 -0.206 0.000 1.153 5 P CA 2.771 65.739 63.100 -0.220 0.000 0.858 5 P CB -0.172 31.387 31.700 -0.235 0.000 0.789 6 L N -7.597 113.482 121.223 -0.241 0.000 2.592 6 L HA -0.022 nan 4.340 nan 0.000 0.227 6 L C 0.067 176.449 176.870 -0.814 0.000 1.127 6 L CA 0.440 54.995 54.840 -0.475 0.000 0.884 6 L CB -0.010 41.735 42.059 -0.524 0.000 1.065 6 L HN -0.010 8.109 8.230 -0.164 0.012 0.457 7 F N -2.652 117.255 119.950 -0.071 0.000 2.009 7 F HA 0.054 nan 4.527 nan 0.000 0.228 7 F C 1.617 177.422 175.800 0.009 0.000 1.168 7 F CA 2.154 60.145 58.000 -0.015 0.000 1.286 7 F CB 0.568 39.580 39.000 0.020 0.000 1.725 7 F HN -0.551 7.572 8.300 -0.005 0.175 0.418 8 E N 1.094 121.443 120.200 0.248 0.000 2.070 8 E HA -0.299 nan 4.350 nan 0.000 0.197 8 E C 2.537 179.171 176.600 0.056 0.000 1.004 8 E CA 3.848 60.338 56.400 0.150 0.000 0.805 8 E CB -0.748 29.053 29.700 0.168 0.000 0.744 8 E HN 0.171 8.739 8.360 0.347 0.000 0.451 9 K N -1.574 118.833 120.400 0.011 0.000 2.152 9 K HA -0.202 nan 4.320 nan 0.000 0.206 9 K C 1.578 178.158 176.600 -0.034 0.000 1.048 9 K CA 2.234 58.505 56.287 -0.026 0.000 0.933 9 K CB -0.263 32.197 32.500 -0.067 0.000 0.721 9 K HN -0.250 8.005 8.250 0.009 0.000 0.447 10 K N -3.292 117.077 120.400 -0.052 0.000 2.372 10 K HA 0.101 nan 4.320 nan 0.000 0.200 10 K C -0.411 176.167 176.600 -0.037 0.000 1.022 10 K CA -0.755 55.494 56.287 -0.064 0.000 1.125 10 K CB 0.350 32.778 32.500 -0.120 0.000 0.855 10 K HN -0.633 7.453 8.250 -0.055 0.131 0.524 11 S N -1.283 114.415 115.700 -0.003 0.000 3.641 11 S HA -0.388 nan 4.470 nan 0.000 0.346 11 S C -0.423 174.195 174.600 0.030 0.000 1.074 11 S CA 1.415 59.627 58.200 0.020 0.000 1.026 11 S CB -0.982 62.223 63.200 0.008 0.000 0.908 11 S HN -0.301 7.811 8.310 0.006 0.202 0.479 12 L N -0.718 120.530 121.223 0.042 0.000 2.325 12 L HA 0.226 nan 4.340 nan 0.000 0.278 12 L C -0.740 176.282 176.870 0.253 0.000 1.023 12 L CA -0.804 54.079 54.840 0.071 0.000 0.811 12 L CB 1.402 43.419 42.059 -0.070 0.000 1.249 12 L HN -0.059 8.066 8.230 0.032 0.124 0.431 13 E N 0.625 120.973 120.200 0.246 0.000 2.518 13 E HA 0.369 nan 4.350 nan 0.000 0.248 13 E C -0.369 176.415 176.600 0.306 0.000 1.028 13 E CA -1.202 55.356 56.400 0.263 0.000 0.922 13 E CB 1.583 31.364 29.700 0.135 0.000 1.299 13 E HN -0.016 8.444 8.360 0.166 0.000 0.457 17 V N 6.381 126.329 119.914 0.057 0.000 2.407 17 V HA 0.206 nan 4.120 nan 0.000 0.278 17 V C -0.115 176.009 176.094 0.050 0.000 1.037 17 V CA -0.869 61.461 62.300 0.049 0.000 0.900 17 V CB 0.387 32.241 31.823 0.050 0.000 0.983 17 V HN 0.829 9.060 8.190 0.068 0.000 0.459 18 E N 1.399 121.621 120.200 0.036 0.000 2.637 18 E HA -0.382 nan 4.350 nan 0.000 0.265 18 E C -0.625 175.995 176.600 0.033 0.000 1.073 18 E CA 0.683 57.101 56.400 0.031 0.000 0.778 18 E CB -2.173 27.546 29.700 0.032 0.000 1.362 18 E HN 0.808 9.186 8.360 0.031 0.000 0.413 19 G N -3.472 105.345 108.800 0.028 0.000 2.702 19 G HA2 0.450 nan 3.960 nan 0.000 0.254 19 G HA3 0.450 nan 3.960 nan 0.000 0.254 19 G C -1.612 173.291 174.900 0.006 0.000 1.380 19 G CA -0.847 44.264 45.100 0.019 0.000 1.042 19 G HN -0.347 7.932 8.290 0.026 0.027 0.557 20 S N -2.975 112.721 115.700 -0.006 0.000 2.661 20 S HA 0.256 nan 4.470 nan 0.000 0.285 20 S C -1.799 172.790 174.600 -0.018 0.000 1.138 20 S CA -1.328 56.868 58.200 -0.006 0.000 0.855 20 S CB 2.754 65.953 63.200 -0.001 0.000 1.136 20 S HN 0.340 8.641 8.310 -0.014 0.000 0.484 21 D N 0.894 121.291 120.400 -0.005 0.000 2.455 21 D HA -0.075 nan 4.640 nan 0.000 0.241 21 D C -0.326 175.982 176.300 0.012 0.000 1.138 21 D CA 0.861 54.861 54.000 0.001 0.000 0.877 21 D CB 0.053 40.876 40.800 0.038 0.000 1.187 21 D HN 0.042 8.415 8.370 0.005 0.000 0.451 22 A N 5.203 128.031 122.820 0.013 0.000 2.351 22 A HA 0.023 nan 4.320 nan 0.000 0.257 22 A C -1.092 176.566 177.584 0.124 0.000 1.087 22 A CA -0.371 51.676 52.037 0.016 0.000 0.798 22 A CB 1.456 20.430 19.000 -0.043 0.000 1.033 22 A HN 0.533 8.568 8.150 -0.027 0.099 0.488 23 E N -0.277 119.937 120.200 0.024 0.000 2.349 23 E HA -0.064 nan 4.350 nan 0.000 0.262 23 E C -0.059 176.532 176.600 -0.015 0.000 1.088 23 E CA -0.986 55.438 56.400 0.040 0.000 0.899 23 E CB 1.057 30.820 29.700 0.104 0.000 1.044 23 E HN -0.308 8.021 8.360 -0.052 0.000 0.420 24 I N 1.182 121.689 120.570 -0.105 0.000 2.683 24 I HA -0.230 nan 4.170 nan 0.000 0.286 24 I C 0.546 176.718 176.117 0.092 0.000 1.175 24 I CA 1.101 62.307 61.300 -0.157 0.000 1.429 24 I CB 0.082 37.986 38.000 -0.160 0.000 1.371 24 I HN 0.155 8.315 8.210 -0.084 0.000 0.569 25 G N 5.825 114.684 108.800 0.098 0.000 2.155 25 G HA2 -0.307 nan 3.960 nan 0.000 0.257 25 G HA3 -0.307 nan 3.960 nan 0.000 0.257 25 G C 0.121 175.050 174.900 0.047 0.000 0.983 25 G CA 0.493 45.654 45.100 0.101 0.000 0.676 25 G HN 0.285 8.613 8.290 0.063 0.000 0.528 26 M N -0.829 118.706 119.600 -0.108 0.000 2.254 26 M HA -0.133 nan 4.480 nan 0.000 0.265 26 M C -1.004 174.865 176.300 -0.718 0.000 1.066 26 M CA 2.846 57.851 55.300 -0.491 0.000 1.123 26 M CB 0.564 32.909 32.600 -0.426 0.000 1.388 26 M HN -0.747 7.451 8.290 -0.061 0.056 0.425 27 S N -2.953 112.323 115.700 -0.706 0.000 2.204 27 S HA 0.420 nan 4.470 nan 0.000 0.147 27 S C -1.825 172.125 174.600 -1.083 0.000 1.711 27 S CA -2.598 54.903 58.200 -1.166 0.000 1.274 27 S CB -0.653 62.130 63.200 -0.696 0.000 1.257 27 S HN -0.079 7.951 8.310 -0.467 0.000 0.404 28 P HA 0.049 nan 4.420 nan 0.000 0.234 28 P C -0.963 176.178 177.300 -0.265 0.000 1.167 28 P CA 1.407 64.228 63.100 -0.465 0.000 0.763 28 P CB -0.063 31.471 31.700 -0.277 0.000 0.835 29 W N -4.944 116.356 121.300 0.001 0.000 3.290 29 W HA 0.237 nan 4.660 nan 0.000 0.287 29 W C -1.109 175.441 176.519 0.052 0.000 1.288 29 W CA -2.709 54.646 57.345 0.017 0.000 1.725 29 W CB -1.121 28.334 29.460 -0.007 0.000 1.103 29 W HN -0.503 6.571 8.180 -1.730 0.069 0.670 30 Q N 2.012 121.808 119.800 -0.007 0.000 2.311 30 Q HA 0.100 nan 4.340 nan 0.000 0.272 30 Q C -1.566 174.571 176.000 0.228 0.000 1.012 30 Q CA 0.909 56.770 55.803 0.096 0.000 0.891 30 Q CB 0.122 28.793 28.738 -0.111 0.000 1.201 30 Q HN -0.347 7.570 8.270 -0.306 0.169 0.391 31 V N 6.471 126.558 119.914 0.289 0.000 2.823 31 V HA 0.609 nan 4.120 nan 0.000 0.312 31 V C -1.842 174.485 176.094 0.388 0.000 1.072 31 V CA -1.979 60.503 62.300 0.303 0.000 0.937 31 V CB 3.280 35.243 31.823 0.235 0.000 1.013 31 V HN 0.099 8.451 8.190 0.269 0.000 0.430 32 M N 3.739 123.515 119.600 0.293 0.000 2.205 32 M HA 0.599 nan 4.480 nan 0.000 0.344 32 M C -1.715 174.687 176.300 0.170 0.000 1.085 32 M CA -1.025 54.403 55.300 0.214 0.000 1.001 32 M CB 2.829 35.342 32.600 -0.144 0.000 1.626 32 M HN 0.350 8.763 8.290 0.204 0.000 0.442 33 L N 6.119 127.455 121.223 0.188 0.000 2.278 33 L HA 0.508 nan 4.340 nan 0.000 0.287 33 L C -1.961 175.031 176.870 0.202 0.000 1.072 33 L CA -0.309 54.628 54.840 0.162 0.000 0.819 33 L CB 0.109 42.236 42.059 0.115 0.000 1.176 33 L HN 0.928 9.283 8.230 0.209 0.000 0.435 34 F N 6.392 126.341 119.950 -0.002 0.000 2.493 34 F HA 0.706 nan 4.527 nan 0.000 0.329 34 F C -2.140 173.650 175.800 -0.018 0.000 1.126 34 F CA -1.832 56.155 58.000 -0.022 0.000 0.937 34 F CB 3.835 42.810 39.000 -0.042 0.000 1.146 34 F HN 0.863 9.310 8.300 0.245 0.000 0.442 35 R N 4.337 124.558 120.500 -0.464 0.000 2.650 35 R HA 0.454 nan 4.340 nan 0.000 0.232 35 R C 0.199 176.254 176.300 -0.409 0.000 1.247 35 R CA -0.501 55.396 56.100 -0.338 0.000 1.061 35 R CB 1.489 31.620 30.300 -0.281 0.000 1.279 35 R HN 0.808 8.701 8.270 -0.629 0.000 0.549 36 S N 1.581 117.212 115.700 -0.116 0.000 2.443 36 S HA 0.086 nan 4.470 nan 0.000 0.284 36 S C -0.898 173.645 174.600 -0.095 0.000 1.206 36 S CA -0.755 57.388 58.200 -0.095 0.000 1.074 36 S CB -1.180 61.984 63.200 -0.060 0.000 0.963 36 S HN -0.319 7.924 8.310 -0.111 0.000 0.501 37 P HA 0.062 nan 4.420 nan 0.000 0.272 37 P C -1.555 175.619 177.300 -0.210 0.000 1.230 37 P CA -0.586 62.443 63.100 -0.118 0.000 0.788 37 P CB 0.710 32.355 31.700 -0.093 0.000 0.949 38 Q N 0.510 120.183 119.800 -0.211 0.000 2.296 38 Q HA -0.060 nan 4.340 nan 0.000 0.263 38 Q C -0.747 174.966 176.000 -0.477 0.000 1.026 38 Q CA 0.613 56.168 55.803 -0.413 0.000 0.912 38 Q CB 0.315 29.013 28.738 -0.066 0.000 1.198 38 Q HN 0.286 8.482 8.270 -0.123 0.000 0.407 39 E N 2.211 121.906 120.200 -0.842 0.000 2.388 39 E HA 0.131 nan 4.350 nan 0.000 0.280 39 E C -2.245 174.123 176.600 -0.386 0.000 1.019 39 E CA -1.945 54.203 56.400 -0.418 0.000 0.806 39 E CB 2.312 31.890 29.700 -0.204 0.000 1.246 39 E HN -0.116 7.493 8.360 -1.252 0.000 0.443 40 L N 1.755 122.970 121.223 -0.012 0.000 2.418 40 L HA 0.169 nan 4.340 nan 0.000 0.274 40 L C -1.394 175.501 176.870 0.041 0.000 1.135 40 L CA 0.683 55.590 54.840 0.112 0.000 0.870 40 L CB 0.021 42.164 42.059 0.140 0.000 1.154 40 L HN 0.273 8.527 8.230 0.040 0.000 0.462 41 L N 6.804 128.055 121.223 0.048 0.000 2.286 41 L HA 0.242 nan 4.340 nan 0.000 0.203 41 L C -0.848 176.062 176.870 0.066 0.000 1.068 41 L CA 0.573 55.430 54.840 0.029 0.000 0.811 41 L CB 1.323 43.384 42.059 0.003 0.000 0.989 41 L HN 0.803 9.085 8.230 0.086 0.000 0.467 42 c N -5.246 113.417 118.600 0.105 0.000 3.231 42 c HA 0.181 nan 4.570 nan 0.000 0.343 42 c C -1.721 172.478 174.090 0.182 0.000 1.349 42 c CA -0.515 55.883 56.329 0.117 0.000 1.209 42 c CB 4.101 46.639 42.510 0.045 0.000 1.475 42 c HN -0.753 7.554 8.230 0.128 0.000 0.460 43 G N -1.658 107.258 108.800 0.193 0.000 2.535 43 G HA2 0.776 nan 3.960 nan 0.000 0.303 43 G HA3 0.776 nan 3.960 nan 0.000 0.303 43 G C -2.788 172.230 174.900 0.196 0.000 1.237 43 G CA -1.113 44.130 45.100 0.239 0.000 0.986 43 G HN 0.650 9.037 8.290 0.163 0.000 0.494 44 A N -2.552 120.399 122.820 0.219 0.000 2.511 44 A HA 0.863 nan 4.320 nan 0.000 0.293 44 A C -2.608 175.114 177.584 0.231 0.000 1.098 44 A CA -0.087 52.073 52.037 0.205 0.000 0.643 44 A CB 2.595 21.710 19.000 0.191 0.000 1.302 44 A HN -0.321 7.977 8.150 0.246 0.000 0.446 45 S N -3.344 112.495 115.700 0.232 0.000 2.564 45 S HA 0.770 nan 4.470 nan 0.000 0.274 45 S C -1.804 172.945 174.600 0.248 0.000 1.124 45 S CA -1.546 56.811 58.200 0.261 0.000 0.869 45 S CB 3.454 66.800 63.200 0.243 0.000 1.105 45 S HN 0.495 8.936 8.310 0.219 0.000 0.472 46 L N 3.010 124.397 121.223 0.274 0.000 2.260 46 L HA 0.552 nan 4.340 nan 0.000 0.289 46 L C -1.065 175.922 176.870 0.194 0.000 1.057 46 L CA -0.435 54.550 54.840 0.241 0.000 0.811 46 L CB 1.143 43.344 42.059 0.237 0.000 1.184 46 L HN 0.578 8.900 8.230 0.340 0.112 0.429 47 I N 0.381 121.067 120.570 0.193 0.000 4.181 47 I HA 0.320 nan 4.170 nan 0.000 0.331 47 I C -0.760 175.446 176.117 0.147 0.000 1.312 47 I CA -0.241 61.137 61.300 0.131 0.000 1.146 47 I CB 0.797 38.869 38.000 0.121 0.000 1.074 47 I HN 0.250 8.606 8.210 0.244 0.000 0.402 48 S N -0.279 115.566 115.700 0.242 0.000 2.724 48 S HA 0.197 nan 4.470 nan 0.000 0.278 48 S C -0.642 174.198 174.600 0.400 0.000 1.190 48 S CA -0.645 57.736 58.200 0.301 0.000 0.860 48 S CB 1.553 64.951 63.200 0.331 0.000 1.206 48 S HN -0.764 7.713 8.310 0.278 0.000 0.507 49 D N -3.396 117.248 120.400 0.407 0.000 2.312 49 D HA -0.140 nan 4.640 nan 0.000 0.211 49 D C 0.557 176.921 176.300 0.107 0.000 0.964 49 D CA 2.694 56.831 54.000 0.228 0.000 0.877 49 D CB -0.271 40.489 40.800 -0.068 0.000 0.924 49 D HN 0.359 8.950 8.370 0.369 0.000 0.515 50 R N -2.828 117.731 120.500 0.099 0.000 2.487 50 R HA 0.319 nan 4.340 nan 0.000 0.272 50 R C -1.666 174.472 176.300 -0.270 0.000 0.928 50 R CA -0.606 55.411 56.100 -0.139 0.000 1.077 50 R CB 2.169 32.295 30.300 -0.290 0.000 1.265 50 R HN -0.435 7.910 8.270 0.222 0.058 0.537 51 W N -2.333 119.033 121.300 0.110 0.000 2.739 51 W HA 0.402 nan 4.660 nan 0.000 0.331 51 W C -1.796 174.796 176.519 0.120 0.000 1.049 51 W CA -0.634 56.774 57.345 0.105 0.000 1.234 51 W CB 2.761 32.267 29.460 0.077 0.000 1.404 51 W HN -0.624 7.749 8.180 0.322 0.000 0.477 52 V N 3.348 123.493 119.914 0.385 0.000 2.555 52 V HA 0.772 nan 4.120 nan 0.000 0.302 52 V C -2.151 174.123 176.094 0.300 0.000 1.038 52 V CA -1.528 60.947 62.300 0.291 0.000 0.887 52 V CB 2.507 34.461 31.823 0.217 0.000 0.991 52 V HN 0.827 9.265 8.190 0.413 0.000 0.434 53 L N 7.437 128.812 121.223 0.254 0.000 2.317 53 L HA 0.875 nan 4.340 nan 0.000 0.281 53 L C -2.214 174.782 176.870 0.211 0.000 1.024 53 L CA -1.220 53.764 54.840 0.240 0.000 0.810 53 L CB 3.191 45.379 42.059 0.216 0.000 1.240 53 L HN 0.603 8.977 8.230 0.239 0.000 0.427 54 T N 6.101 120.772 114.554 0.195 0.000 2.671 54 T HA 0.486 nan 4.350 nan 0.000 0.300 54 T C -2.580 172.182 174.700 0.103 0.000 1.238 54 T CA -1.442 60.743 62.100 0.142 0.000 1.020 54 T CB 3.511 72.445 68.868 0.110 0.000 1.503 54 T HN 0.643 9.015 8.240 0.220 0.000 0.497 55 A N -0.308 122.529 122.820 0.028 0.000 2.331 55 A HA 0.397 nan 4.320 nan 0.000 0.283 55 A C 0.695 178.197 177.584 -0.137 0.000 1.142 55 A CA -1.091 50.931 52.037 -0.025 0.000 0.812 55 A CB 0.744 19.724 19.000 -0.034 0.000 1.074 55 A HN 0.415 8.570 8.150 0.010 0.000 0.497 56 A N 5.544 128.234 122.820 -0.216 0.000 1.940 56 A HA -0.286 nan 4.320 nan 0.000 0.219 56 A C 1.469 178.864 177.584 -0.315 0.000 1.176 56 A CA 3.134 54.925 52.037 -0.409 0.000 0.631 56 A CB -0.661 17.721 19.000 -1.029 0.000 0.814 56 A HN 0.710 8.751 8.150 -0.191 -0.006 0.446 57 H N -4.828 114.125 119.070 -0.195 0.000 2.545 57 H HA -0.199 nan 4.556 nan 0.000 0.282 57 H C 1.537 176.886 175.328 0.036 0.000 1.020 57 H CA 2.503 58.580 56.048 0.047 0.000 1.243 57 H CB -0.831 29.029 29.762 0.163 0.000 1.377 57 H HN 0.017 8.566 8.280 -0.053 -0.301 0.581 58 c N -1.913 116.431 118.600 -0.427 0.000 2.448 58 c HA -0.149 nan 4.570 nan 0.000 0.280 58 c C 0.386 174.419 174.090 -0.095 0.000 1.398 58 c CA 2.128 58.296 56.329 -0.267 0.000 1.774 58 c CB -1.026 41.348 42.510 -0.228 0.000 1.888 58 c HN -0.445 7.336 8.230 -0.466 0.169 0.519 59 L N -2.419 118.760 121.223 -0.074 0.000 2.304 59 L HA 0.381 nan 4.340 nan 0.000 0.268 59 L C 0.132 176.989 176.870 -0.022 0.000 1.010 59 L CA -0.814 54.004 54.840 -0.037 0.000 0.813 59 L CB 2.348 44.391 42.059 -0.028 0.000 1.315 59 L HN -0.208 7.794 8.230 -0.102 0.168 0.445 60 T N -3.872 110.660 114.554 -0.037 0.000 2.923 60 T HA 0.442 nan 4.350 nan 0.000 0.281 60 T C 1.051 175.727 174.700 -0.039 0.000 0.995 60 T CA -2.152 59.923 62.100 -0.041 0.000 0.985 60 T CB 2.136 70.979 68.868 -0.042 0.000 1.114 60 T HN 0.249 8.844 8.240 -0.037 -0.377 0.548 61 E N 1.687 121.858 120.200 -0.048 0.000 2.130 61 E HA -0.410 nan 4.350 nan 0.000 0.196 61 E C 1.935 178.517 176.600 -0.031 0.000 0.998 61 E CA 3.731 60.104 56.400 -0.044 0.000 0.806 61 E CB -0.324 29.340 29.700 -0.060 0.000 0.738 61 E HN 0.494 8.819 8.360 -0.059 0.000 0.459 62 N N -2.786 115.895 118.700 -0.032 0.000 2.521 62 N HA -0.090 nan 4.740 nan 0.000 0.188 62 N C 0.779 176.274 175.510 -0.025 0.000 1.146 62 N CA 1.825 54.860 53.050 -0.026 0.000 0.893 62 N CB -0.508 37.962 38.487 -0.027 0.000 0.975 62 N HN 0.145 8.482 8.380 -0.037 0.021 0.451 63 D N -0.278 120.105 120.400 -0.028 0.000 2.354 63 D HA 0.102 nan 4.640 nan 0.000 0.209 63 D C -1.536 174.745 176.300 -0.031 0.000 1.015 63 D CA 1.402 55.382 54.000 -0.034 0.000 0.867 63 D CB 1.238 42.014 40.800 -0.040 0.000 0.933 63 D HN -0.082 8.084 8.370 -0.029 0.187 0.520 64 L N -3.282 117.934 121.223 -0.013 0.000 2.333 64 L HA 0.740 nan 4.340 nan 0.000 0.263 64 L C -1.967 174.927 176.870 0.040 0.000 1.014 64 L CA -0.968 53.877 54.840 0.009 0.000 0.820 64 L CB 3.507 45.574 42.059 0.014 0.000 1.352 64 L HN -0.830 7.336 8.230 -0.012 0.056 0.421 65 L N -1.146 120.130 121.223 0.089 0.000 2.381 65 L HA 0.726 nan 4.340 nan 0.000 0.268 65 L C -1.589 175.356 176.870 0.126 0.000 0.997 65 L CA -1.448 53.458 54.840 0.109 0.000 0.818 65 L CB 3.934 46.088 42.059 0.158 0.000 1.310 65 L HN 0.546 8.840 8.230 0.106 0.000 0.416 66 V N -2.360 117.609 119.914 0.092 0.000 2.427 66 V HA 0.730 nan 4.120 nan 0.000 0.286 66 V C -1.179 174.956 176.094 0.069 0.000 1.034 66 V CA -2.757 59.601 62.300 0.097 0.000 0.893 66 V CB 0.928 32.810 31.823 0.099 0.000 0.982 66 V HN 0.800 9.033 8.190 0.071 0.000 0.452 67 R N 5.473 126.000 120.500 0.046 0.000 2.295 67 R HA 0.797 nan 4.340 nan 0.000 0.324 67 R C -0.978 175.350 176.300 0.047 0.000 0.968 67 R CA -1.325 54.769 56.100 -0.010 0.000 0.837 67 R CB 1.572 31.779 30.300 -0.154 0.000 1.133 67 R HN 0.437 8.746 8.270 0.065 0.000 0.450 68 I N 2.196 122.808 120.570 0.070 0.000 2.530 68 I HA 0.467 nan 4.170 nan 0.000 0.297 68 I C -0.427 175.756 176.117 0.111 0.000 1.011 68 I CA -1.352 60.021 61.300 0.122 0.000 1.107 68 I CB 2.222 40.306 38.000 0.141 0.000 1.285 68 I HN 0.795 8.930 8.210 0.054 0.107 0.436 69 G N 3.745 112.632 108.800 0.145 0.000 2.132 69 G HA2 -0.464 nan 3.960 nan 0.000 0.234 69 G HA3 -0.464 nan 3.960 nan 0.000 0.234 69 G C -1.114 173.848 174.900 0.102 0.000 0.989 69 G CA 0.128 45.312 45.100 0.140 0.000 0.676 69 G HN 0.413 8.804 8.290 0.169 0.000 0.522 70 K N -1.165 119.337 120.400 0.169 0.000 2.098 70 K HA 0.121 nan 4.320 nan 0.000 0.257 70 K C -1.589 175.252 176.600 0.401 0.000 0.999 70 K CA -0.041 56.351 56.287 0.174 0.000 0.924 70 K CB 0.972 33.473 32.500 0.001 0.000 1.028 70 K HN -0.472 7.916 8.250 0.231 0.000 0.466 71 H N 0.575 119.759 119.070 0.190 0.000 2.067 71 H HA 0.264 nan 4.556 nan 0.000 0.220 71 H C 0.193 175.714 175.328 0.323 0.000 0.883 71 H CA 0.927 57.114 56.048 0.233 0.000 1.042 71 H CB 3.486 33.279 29.762 0.052 0.000 1.305 71 H HN 0.589 9.479 8.280 0.185 -0.499 0.430 72 S N -0.552 115.195 115.700 0.080 0.000 2.549 72 S HA -0.072 nan 4.470 nan 0.000 0.283 72 S C 0.524 175.037 174.600 -0.146 0.000 1.320 72 S CA -0.269 57.913 58.200 -0.029 0.000 1.058 72 S CB 0.799 63.971 63.200 -0.046 0.000 0.882 72 S HN -0.251 8.597 8.310 0.118 -0.467 0.498 73 R N 7.682 128.091 120.500 -0.152 0.000 2.073 73 R HA -0.168 nan 4.340 nan 0.000 0.229 73 R C 1.034 177.127 176.300 -0.345 0.000 1.120 73 R CA 2.920 58.765 56.100 -0.425 0.000 0.967 73 R CB 0.319 30.572 30.300 -0.079 0.000 0.862 73 R HN 0.790 8.939 8.270 -0.023 0.107 0.436 74 T N -6.953 107.498 114.554 -0.173 0.000 3.000 74 T HA 0.250 nan 4.350 nan 0.000 0.248 74 T C 0.157 174.793 174.700 -0.107 0.000 1.034 74 T CA -0.032 61.998 62.100 -0.118 0.000 1.060 74 T CB 0.840 69.683 68.868 -0.042 0.000 0.983 74 T HN -0.186 7.982 8.240 -0.120 0.000 0.482 75 R N 2.838 123.278 120.500 -0.100 0.000 2.531 75 R HA 0.106 nan 4.340 nan 0.000 0.273 75 R C -0.436 175.817 176.300 -0.078 0.000 1.070 75 R CA -0.179 55.883 56.100 -0.064 0.000 1.112 75 R CB 0.871 31.138 30.300 -0.055 0.000 1.049 75 R HN -0.685 7.521 8.270 -0.108 0.000 0.508 76 Y N 3.417 123.638 120.300 -0.132 0.000 2.557 76 Y HA 0.126 nan 4.550 nan 0.000 0.436 76 Y C 0.027 175.862 175.900 -0.108 0.000 1.403 76 Y CA -0.230 57.786 58.100 -0.140 0.000 1.960 76 Y CB 1.034 39.427 38.460 -0.112 0.000 1.785 76 Y HN 0.104 8.447 8.280 0.106 0.000 0.640 77 R N -0.867 119.207 120.500 -0.710 0.000 2.536 77 R HA 0.397 nan 4.340 nan 0.000 0.269 77 R C -0.839 175.310 176.300 -0.252 0.000 1.113 77 R CA 0.472 56.295 56.100 -0.462 0.000 0.948 77 R CB 2.049 32.247 30.300 -0.169 0.000 1.237 77 R HN 0.373 8.295 8.270 -0.579 0.000 0.441 78 N N 1.158 119.763 118.700 -0.159 0.000 2.936 78 N HA -0.363 nan 4.740 nan 0.000 0.236 78 N C -0.624 174.835 175.510 -0.085 0.000 0.930 78 N CA 1.627 54.630 53.050 -0.078 0.000 0.966 78 N CB -0.349 38.107 38.487 -0.053 0.000 1.090 78 N HN 0.708 9.006 8.380 -0.137 0.000 0.592 79 I N -3.760 116.710 120.570 -0.166 0.000 3.518 79 I HA 0.046 nan 4.170 nan 0.000 0.260 79 I C -1.115 174.939 176.117 -0.104 0.000 1.148 79 I CA 0.097 61.290 61.300 -0.179 0.000 1.440 79 I CB 2.374 40.155 38.000 -0.366 0.000 1.485 79 I HN -0.368 7.624 8.210 -0.242 0.073 0.456 80 E N 0.498 120.603 120.200 -0.157 0.000 2.349 80 E HA 0.113 nan 4.350 nan 0.000 0.262 80 E C -0.640 175.952 176.600 -0.012 0.000 1.088 80 E CA -0.716 55.639 56.400 -0.075 0.000 0.899 80 E CB 0.904 30.531 29.700 -0.121 0.000 1.044 80 E HN -0.519 7.686 8.360 -0.258 0.000 0.420 81 K N 0.646 121.069 120.400 0.037 0.000 2.397 81 K HA 0.394 nan 4.320 nan 0.000 0.253 81 K C -1.447 175.188 176.600 0.059 0.000 0.932 81 K CA -1.288 55.035 56.287 0.061 0.000 0.795 81 K CB 2.864 35.407 32.500 0.072 0.000 1.159 81 K HN 0.540 8.709 8.250 0.045 0.108 0.424 82 I N 3.221 123.829 120.570 0.063 0.000 2.392 82 I HA 0.512 nan 4.170 nan 0.000 0.295 82 I C -0.390 175.750 176.117 0.039 0.000 0.985 82 I CA -1.061 60.266 61.300 0.046 0.000 1.221 82 I CB 1.479 39.502 38.000 0.039 0.000 1.366 82 I HN 0.275 8.530 8.210 0.074 0.000 0.467 83 S N 5.724 121.447 115.700 0.039 0.000 2.570 83 S HA 0.404 nan 4.470 nan 0.000 0.286 83 S C -1.590 173.024 174.600 0.023 0.000 1.099 83 S CA -1.083 57.133 58.200 0.026 0.000 0.913 83 S CB 3.386 66.601 63.200 0.024 0.000 1.085 83 S HN 0.803 9.036 8.310 0.046 0.105 0.480 84 M N 1.199 120.802 119.600 0.006 0.000 2.444 84 M HA 0.433 nan 4.480 nan 0.000 0.319 84 M C -1.183 175.108 176.300 -0.015 0.000 1.183 84 M CA -0.368 54.932 55.300 -0.000 0.000 1.032 84 M CB 1.803 34.398 32.600 -0.008 0.000 1.569 84 M HN 0.485 8.775 8.290 -0.001 0.000 0.468 85 L N -0.938 120.273 121.223 -0.019 0.000 2.325 85 L HA 0.258 nan 4.340 nan 0.000 0.279 85 L C -0.517 176.319 176.870 -0.057 0.000 1.054 85 L CA -0.463 54.354 54.840 -0.037 0.000 0.804 85 L CB 0.504 42.548 42.059 -0.025 0.000 1.200 85 L HN 0.597 8.820 8.230 -0.012 0.000 0.436 86 E N 3.271 123.420 120.200 -0.084 0.000 2.132 86 E HA -0.035 nan 4.350 nan 0.000 0.193 86 E C -0.203 176.332 176.600 -0.108 0.000 0.951 86 E CA 1.150 57.497 56.400 -0.087 0.000 0.843 86 E CB 1.593 31.233 29.700 -0.100 0.000 0.807 86 E HN 0.683 8.878 8.360 -0.101 0.105 0.467 87 K N -2.538 117.780 120.400 -0.137 0.000 2.523 87 K HA 0.287 nan 4.320 nan 0.000 0.257 87 K C -2.306 174.133 176.600 -0.268 0.000 0.932 87 K CA -1.380 54.753 56.287 -0.256 0.000 0.812 87 K CB 3.557 35.857 32.500 -0.334 0.000 1.326 87 K HN -0.701 7.475 8.250 -0.124 0.000 0.433 88 I N 2.469 122.816 120.570 -0.372 0.000 2.404 88 I HA 0.512 nan 4.170 nan 0.000 0.293 88 I C -0.889 174.990 176.117 -0.395 0.000 0.992 88 I CA -1.121 60.055 61.300 -0.208 0.000 1.149 88 I CB 2.194 40.139 38.000 -0.091 0.000 1.315 88 I HN -0.077 8.087 8.210 -0.406 -0.198 0.446 89 Y N 6.179 126.575 120.300 0.160 0.000 2.331 89 Y HA 0.296 nan 4.550 nan 0.000 0.334 89 Y C -1.557 174.554 175.900 0.353 0.000 0.960 89 Y CA -1.507 56.726 58.100 0.222 0.000 1.130 89 Y CB 2.557 41.149 38.460 0.219 0.000 1.164 89 Y HN 0.971 9.332 8.280 0.311 0.105 0.458 90 I N 2.422 123.221 120.570 0.382 0.000 2.460 90 I HA 0.279 nan 4.170 nan 0.000 0.298 90 I C -1.007 175.199 176.117 0.147 0.000 0.989 90 I CA -1.915 59.527 61.300 0.238 0.000 1.173 90 I CB 2.279 40.360 38.000 0.135 0.000 1.338 90 I HN 0.320 8.710 8.210 0.300 0.000 0.456 91 H N 7.659 126.514 119.070 -0.359 0.000 3.070 91 H HA -0.028 nan 4.556 nan 0.000 0.313 91 H C 0.426 175.640 175.328 -0.189 0.000 0.997 91 H CA 1.038 56.632 56.048 -0.755 0.000 1.438 91 H CB 1.140 30.361 29.762 -0.903 0.000 1.455 91 H HN -0.300 7.847 8.280 -0.222 0.000 0.575 92 P HA -0.150 nan 4.420 nan 0.000 0.219 92 P C -0.026 177.355 177.300 0.135 0.000 1.146 92 P CA 1.687 64.796 63.100 0.015 0.000 0.808 92 P CB 0.203 31.889 31.700 -0.023 0.000 0.779 93 R N -3.893 116.795 120.500 0.313 0.000 2.609 93 R HA 0.217 nan 4.340 nan 0.000 0.326 93 R C -0.960 175.423 176.300 0.138 0.000 1.090 93 R CA -1.250 54.968 56.100 0.198 0.000 1.072 93 R CB 0.270 30.669 30.300 0.164 0.000 1.330 93 R HN -0.466 8.161 8.270 0.651 0.034 0.572 94 Y N 3.760 124.103 120.300 0.072 0.000 2.721 94 Y HA -0.293 nan 4.550 nan 0.000 0.329 94 Y C -1.362 174.539 175.900 0.001 0.000 1.211 94 Y CA -0.372 57.742 58.100 0.022 0.000 1.512 94 Y CB -0.053 38.474 38.460 0.111 0.000 1.249 94 Y HN -0.421 7.918 8.280 0.379 0.169 0.549 95 N N 9.307 127.867 118.700 -0.233 0.000 2.949 95 N HA 0.178 nan 4.740 nan 0.000 0.243 95 N C -1.118 174.071 175.510 -0.535 0.000 1.113 95 N CA -2.245 50.542 53.050 -0.439 0.000 0.980 95 N CB -0.472 37.858 38.487 -0.262 0.000 1.256 95 N HN 0.541 8.835 8.380 0.032 0.105 0.508 96 W N 2.645 123.471 121.300 -0.790 0.000 2.564 96 W HA 0.038 nan 4.660 nan 0.000 0.447 96 W C -0.546 175.784 176.519 -0.315 0.000 0.701 96 W CA -1.917 55.079 57.345 -0.581 0.000 2.223 96 W CB -1.943 27.153 29.460 -0.606 0.000 0.990 96 W HN -0.427 7.056 8.180 -1.162 0.000 0.698 97 E N 2.911 122.925 120.200 -0.310 0.000 2.239 97 E HA -0.434 nan 4.350 nan 0.000 0.240 97 E C 0.148 176.578 176.600 -0.284 0.000 1.079 97 E CA 2.741 58.988 56.400 -0.256 0.000 0.991 97 E CB -0.010 29.546 29.700 -0.239 0.000 0.863 97 E HN -0.329 8.025 8.360 -0.365 -0.213 0.491 98 N N -5.143 113.384 118.700 -0.289 0.000 2.184 98 N HA 0.027 nan 4.740 nan 0.000 0.234 98 N C -0.600 174.709 175.510 -0.335 0.000 1.282 98 N CA -0.829 51.997 53.050 -0.374 0.000 0.877 98 N CB 0.736 39.059 38.487 -0.273 0.000 1.184 98 N HN -0.506 7.718 8.380 -0.260 0.000 0.510 99 L N -2.799 118.304 121.223 -0.199 0.000 3.843 99 L HA -0.507 nan 4.340 nan 0.000 0.411 99 L C -1.579 175.366 176.870 0.124 0.000 1.205 99 L CA 0.859 55.715 54.840 0.028 0.000 0.945 99 L CB -1.989 40.078 42.059 0.013 0.000 1.929 99 L HN 0.216 8.317 8.230 -0.214 0.000 0.934 100 D N -0.512 119.904 120.400 0.026 0.000 2.455 100 D HA -0.096 nan 4.640 nan 0.000 0.241 100 D C -0.359 175.975 176.300 0.056 0.000 1.138 100 D CA 1.345 55.366 54.000 0.034 0.000 0.877 100 D CB 0.749 41.526 40.800 -0.040 0.000 1.187 100 D HN -0.867 7.613 8.370 -0.067 -0.150 0.451 101 R N -0.214 120.285 120.500 -0.002 0.000 3.332 101 R HA -0.464 nan 4.340 nan 0.000 0.263 101 R C -1.040 175.256 176.300 -0.006 0.000 1.053 101 R CA 0.895 56.912 56.100 -0.138 0.000 0.705 101 R CB -1.237 28.792 30.300 -0.452 0.000 1.166 101 R HN 0.630 8.912 8.270 0.019 0.000 0.427 102 D N -0.653 119.806 120.400 0.098 0.000 2.545 102 D HA 0.038 nan 4.640 nan 0.000 0.227 102 D C -1.698 174.599 176.300 -0.005 0.000 1.150 102 D CA 0.230 54.270 54.000 0.068 0.000 1.046 102 D CB -0.328 40.611 40.800 0.232 0.000 1.098 102 D HN -0.145 8.300 8.370 0.125 0.000 0.502 103 I N 2.377 122.886 120.570 -0.102 0.000 2.827 103 I HA 0.754 nan 4.170 nan 0.000 0.298 103 I C -3.237 172.895 176.117 0.025 0.000 1.235 103 I CA -1.299 60.010 61.300 0.014 0.000 1.021 103 I CB 4.264 42.315 38.000 0.085 0.000 1.259 103 I HN -0.383 7.677 8.210 -0.208 0.025 0.427 104 A N 5.247 128.194 122.820 0.212 0.000 2.594 104 A HA 0.957 nan 4.320 nan 0.000 0.295 104 A C -2.981 174.859 177.584 0.427 0.000 1.071 104 A CA -1.019 51.225 52.037 0.345 0.000 0.685 104 A CB 3.819 22.914 19.000 0.158 0.000 1.285 104 A HN 0.688 8.969 8.150 0.219 0.000 0.405 105 L N -0.157 121.376 121.223 0.517 0.000 2.342 105 L HA 0.866 nan 4.340 nan 0.000 0.271 105 L C -1.428 175.749 176.870 0.513 0.000 1.008 105 L CA -1.436 53.681 54.840 0.463 0.000 0.818 105 L CB 3.689 45.936 42.059 0.314 0.000 1.296 105 L HN 0.823 9.327 8.230 0.633 0.106 0.427 106 M N 0.232 120.124 119.600 0.486 0.000 2.263 106 M HA 0.504 nan 4.480 nan 0.000 0.295 106 M C -2.156 174.258 176.300 0.190 0.000 1.028 106 M CA -0.758 54.726 55.300 0.307 0.000 0.921 106 M CB 3.566 36.272 32.600 0.176 0.000 1.601 106 M HN 0.638 9.232 8.290 0.507 0.000 0.440 107 K N 3.841 124.197 120.400 -0.074 0.000 2.211 107 K HA 0.543 nan 4.320 nan 0.000 0.275 107 K C -1.259 175.152 176.600 -0.314 0.000 1.024 107 K CA -1.378 54.550 56.287 -0.598 0.000 0.887 107 K CB 2.095 34.140 32.500 -0.757 0.000 1.084 107 K HN 0.829 8.994 8.250 0.037 0.106 0.463 108 L N 6.500 127.540 121.223 -0.304 0.000 2.439 108 L HA -0.103 nan 4.340 nan 0.000 0.269 108 L C -0.325 176.455 176.870 -0.150 0.000 1.179 108 L CA 0.519 55.266 54.840 -0.155 0.000 0.828 108 L CB 0.102 42.100 42.059 -0.101 0.000 1.106 108 L HN 0.611 8.589 8.230 -0.420 0.000 0.467 109 K N 0.810 121.156 120.400 -0.090 0.000 2.063 109 K HA -0.346 nan 4.320 nan 0.000 0.208 109 K C -0.480 176.079 176.600 -0.069 0.000 1.048 109 K CA 2.505 58.749 56.287 -0.073 0.000 0.928 109 K CB 0.406 32.879 32.500 -0.045 0.000 0.713 109 K HN 0.351 8.562 8.250 -0.066 0.000 0.442 110 K N -3.585 116.779 120.400 -0.060 0.000 2.426 110 K HA 0.319 nan 4.320 nan 0.000 0.251 110 K C -2.707 173.858 176.600 -0.058 0.000 0.941 110 K CA -3.200 53.054 56.287 -0.054 0.000 0.808 110 K CB 1.895 34.373 32.500 -0.036 0.000 1.265 110 K HN -0.385 7.833 8.250 -0.053 0.000 0.432 111 P HA 0.016 nan 4.420 nan 0.000 0.267 111 P C -1.857 175.402 177.300 -0.068 0.000 1.200 111 P CA 0.041 63.097 63.100 -0.074 0.000 0.772 111 P CB 0.369 32.016 31.700 -0.088 0.000 0.855 112 V N 1.964 121.844 119.914 -0.057 0.000 2.539 112 V HA 0.102 nan 4.120 nan 0.000 0.292 112 V C -0.955 175.047 176.094 -0.154 0.000 1.045 112 V CA -2.111 60.173 62.300 -0.027 0.000 0.945 112 V CB 2.254 34.132 31.823 0.091 0.000 0.993 112 V HN 0.384 8.440 8.190 -0.039 0.110 0.464 113 A N 6.720 129.484 122.820 -0.094 0.000 2.328 113 A HA 0.273 nan 4.320 nan 0.000 0.284 113 A C -0.826 176.770 177.584 0.020 0.000 1.160 113 A CA -0.672 51.276 52.037 -0.150 0.000 0.818 113 A CB 0.732 19.699 19.000 -0.055 0.000 1.087 113 A HN 0.172 8.307 8.150 -0.025 0.000 0.504 114 F N 1.382 121.367 119.950 0.059 0.000 2.444 114 F HA 0.314 nan 4.527 nan 0.000 0.331 114 F C 0.138 175.984 175.800 0.077 0.000 1.167 114 F CA -1.721 56.329 58.000 0.084 0.000 1.262 114 F CB 0.601 39.663 39.000 0.102 0.000 1.196 114 F HN 0.226 8.263 8.300 -0.438 0.000 0.583 115 S N -0.323 115.555 115.700 0.296 0.000 2.755 115 S HA 0.140 nan 4.470 nan 0.000 0.286 115 S C -0.805 173.781 174.600 -0.024 0.000 1.207 115 S CA -0.789 57.481 58.200 0.116 0.000 0.892 115 S CB 1.705 64.980 63.200 0.125 0.000 1.240 115 S HN 0.370 8.885 8.310 0.340 0.000 0.525 116 D N -2.015 118.216 120.400 -0.281 0.000 2.264 116 D HA -0.066 nan 4.640 nan 0.000 0.208 116 D C 0.485 176.459 176.300 -0.545 0.000 0.966 116 D CA 2.527 56.209 54.000 -0.530 0.000 0.864 116 D CB 0.018 40.290 40.800 -0.881 0.000 0.933 116 D HN 0.429 8.626 8.370 -0.287 0.000 0.499 117 Y N -5.276 115.028 120.300 0.006 0.000 2.444 117 Y HA 0.068 nan 4.550 nan 0.000 0.249 117 Y C -0.076 175.831 175.900 0.011 0.000 1.134 117 Y CA -0.458 57.635 58.100 -0.012 0.000 1.261 117 Y CB 1.475 39.931 38.460 -0.006 0.000 1.143 117 Y HN -0.736 7.367 8.280 -0.210 0.051 0.523 118 I N -0.719 119.950 120.570 0.164 0.000 2.468 118 I HA 0.153 nan 4.170 nan 0.000 0.285 118 I C -2.194 174.023 176.117 0.166 0.000 1.039 118 I CA -0.556 60.855 61.300 0.185 0.000 1.074 118 I CB 2.180 40.337 38.000 0.261 0.000 1.228 118 I HN -0.806 7.363 8.210 0.128 0.118 0.436 119 H N 9.340 128.364 119.070 -0.078 0.000 3.123 119 H HA 0.235 nan 4.556 nan 0.000 0.346 119 H C -2.919 172.359 175.328 -0.084 0.000 1.138 119 H CA -1.641 54.242 56.048 -0.275 0.000 1.273 119 H CB 3.808 33.493 29.762 -0.130 0.000 1.926 119 H HN 0.179 8.407 8.280 0.089 0.105 0.524 120 P HA 0.035 nan 4.420 nan 0.000 0.275 120 P C -2.019 175.288 177.300 0.012 0.000 1.228 120 P CA -0.591 62.408 63.100 -0.169 0.000 0.786 120 P CB 1.415 32.939 31.700 -0.293 0.000 0.927 121 V N 0.949 120.826 119.914 -0.061 0.000 2.863 121 V HA 0.328 nan 4.120 nan 0.000 0.307 121 V C -0.221 175.695 176.094 -0.296 0.000 1.061 121 V CA -2.159 59.852 62.300 -0.481 0.000 1.024 121 V CB 1.961 33.193 31.823 -0.986 0.000 1.049 121 V HN -0.195 8.009 8.190 0.022 0.000 0.471 122 c N 6.168 124.541 118.600 -0.379 0.000 2.459 122 c HA 0.261 nan 4.570 nan 0.000 0.374 122 c C -0.831 173.225 174.090 -0.057 0.000 1.241 122 c CA -0.689 55.478 56.329 -0.270 0.000 2.352 122 c CB 0.484 42.611 42.510 -0.639 0.000 2.490 122 c HN 0.022 7.934 8.230 -0.531 0.000 0.583 123 L N 1.759 123.039 121.223 0.095 0.000 2.325 123 L HA 0.436 nan 4.340 nan 0.000 0.279 123 L C -1.622 175.454 176.870 0.344 0.000 1.054 123 L CA -2.787 52.174 54.840 0.202 0.000 0.804 123 L CB 0.577 42.725 42.059 0.149 0.000 1.200 123 L HN 0.227 8.498 8.230 0.068 0.000 0.436 124 P HA 0.090 nan 4.420 nan 0.000 0.272 124 P C -1.566 175.796 177.300 0.103 0.000 1.223 124 P CA -0.505 62.658 63.100 0.105 0.000 0.784 124 P CB 0.503 32.209 31.700 0.010 0.000 0.923 125 D N -0.856 119.467 120.400 -0.129 0.000 2.385 125 D HA 0.122 nan 4.640 nan 0.000 0.254 125 D C 0.751 176.681 176.300 -0.617 0.000 1.053 125 D CA -2.110 51.807 54.000 -0.139 0.000 0.992 125 D CB 1.883 42.638 40.800 -0.076 0.000 1.145 125 D HN -0.305 7.903 8.370 -0.271 0.000 0.523 126 R N -0.287 119.836 120.500 -0.627 0.000 2.103 126 R HA -0.447 nan 4.340 nan 0.000 0.242 126 R C 1.996 177.970 176.300 -0.544 0.000 1.142 126 R CA 4.015 59.592 56.100 -0.872 0.000 0.960 126 R CB -0.107 30.068 30.300 -0.207 0.000 0.858 126 R HN 0.443 8.600 8.270 -0.188 0.000 0.439 127 E N -2.511 117.488 120.200 -0.334 0.000 2.106 127 E HA -0.176 nan 4.350 nan 0.000 0.192 127 E C 0.466 176.891 176.600 -0.291 0.000 0.984 127 E CA 2.072 58.324 56.400 -0.247 0.000 0.806 127 E CB -0.067 29.534 29.700 -0.166 0.000 0.750 127 E HN -0.141 8.105 8.360 -0.274 -0.050 0.458 128 T N 1.946 116.273 114.554 -0.378 0.000 2.769 128 T HA 0.027 nan 4.350 nan 0.000 0.293 128 T C 0.794 175.260 174.700 -0.390 0.000 0.931 128 T CA 2.107 63.945 62.100 -0.437 0.000 1.139 128 T CB -0.780 67.656 68.868 -0.721 0.000 0.881 128 T HN -0.335 7.887 8.240 -0.395 -0.219 0.532 129 L N 2.383 123.549 121.223 -0.095 0.000 2.143 129 L HA -0.346 nan 4.340 nan 0.000 0.481 129 L C -0.037 176.766 176.870 -0.111 0.000 0.721 129 L CA 1.677 56.517 54.840 -0.000 0.000 3.051 129 L CB -0.894 41.130 42.059 -0.058 0.000 0.790 129 L HN 0.732 8.866 8.230 -0.162 0.000 0.723 130 L N 0.272 121.354 121.223 -0.234 0.000 2.382 130 L HA -0.071 nan 4.340 nan 0.000 0.259 130 L C -1.169 175.481 176.870 -0.367 0.000 1.291 130 L CA 0.036 54.673 54.840 -0.338 0.000 1.176 130 L CB -1.905 39.930 42.059 -0.374 0.000 1.373 130 L HN -0.050 8.048 8.230 -0.221 0.000 0.426 131 Q N 0.620 120.124 119.800 -0.493 0.000 2.372 131 Q HA 0.237 nan 4.340 nan 0.000 0.273 131 Q C -1.186 174.528 176.000 -0.477 0.000 1.078 131 Q CA -1.936 53.516 55.803 -0.584 0.000 0.806 131 Q CB 4.494 32.659 28.738 -0.955 0.000 1.332 131 Q HN -0.286 7.661 8.270 -0.472 0.041 0.435 132 A N 2.425 125.065 122.820 -0.300 0.000 2.565 132 A HA -0.314 nan 4.320 nan 0.000 0.237 132 A C 0.533 178.052 177.584 -0.108 0.000 1.053 132 A CA 1.427 53.357 52.037 -0.178 0.000 0.755 132 A CB -0.370 18.547 19.000 -0.138 0.000 0.980 132 A HN 0.560 8.545 8.150 -0.275 0.000 0.506 133 G N 3.642 112.429 108.800 -0.021 0.000 2.284 133 G HA2 -0.385 nan 3.960 nan 0.000 0.230 133 G HA3 -0.385 nan 3.960 nan 0.000 0.230 133 G C -0.722 174.304 174.900 0.209 0.000 1.021 133 G CA -0.206 44.941 45.100 0.077 0.000 0.619 133 G HN 0.613 8.764 8.290 -0.048 0.111 0.510 134 Y N 2.495 122.760 120.300 -0.059 0.000 2.425 134 Y HA -0.140 nan 4.550 nan 0.000 0.331 134 Y C -0.476 175.402 175.900 -0.036 0.000 1.157 134 Y CA -1.235 56.832 58.100 -0.055 0.000 1.372 134 Y CB 0.223 38.639 38.460 -0.073 0.000 1.253 134 Y HN -0.480 7.821 8.280 0.185 0.090 0.536 135 K N 2.906 123.356 120.400 0.084 0.000 2.130 135 K HA 0.555 nan 4.320 nan 0.000 0.268 135 K C -0.826 175.752 176.600 -0.036 0.000 0.983 135 K CA -0.798 55.505 56.287 0.026 0.000 0.893 135 K CB 1.951 34.448 32.500 -0.004 0.000 1.066 135 K HN 0.244 8.502 8.250 0.015 0.000 0.450 136 G N 0.881 109.589 108.800 -0.154 0.000 2.932 136 G HA2 0.820 nan 3.960 nan 0.000 0.283 136 G HA3 0.820 nan 3.960 nan 0.000 0.283 136 G C -2.752 171.760 174.900 -0.647 0.000 1.336 136 G CA -1.924 42.785 45.100 -0.651 0.000 1.056 136 G HN 0.659 8.933 8.290 -0.028 0.000 0.522 137 R N -1.701 118.375 120.500 -0.708 0.000 2.621 137 R HA 0.861 nan 4.340 nan 0.000 0.292 137 R C -1.733 174.389 176.300 -0.297 0.000 0.969 137 R CA -1.225 54.677 56.100 -0.329 0.000 0.887 137 R CB 3.688 33.932 30.300 -0.094 0.000 1.180 137 R HN 0.448 8.097 8.270 -0.864 0.103 0.450 138 V N 6.382 126.232 119.914 -0.107 0.000 2.628 138 V HA 0.772 nan 4.120 nan 0.000 0.306 138 V C -1.738 174.355 176.094 -0.001 0.000 1.045 138 V CA -1.649 60.672 62.300 0.036 0.000 0.905 138 V CB 2.913 34.849 31.823 0.189 0.000 0.997 138 V HN 0.680 8.823 8.190 -0.079 0.000 0.436 139 T N 1.076 115.624 114.554 -0.009 0.000 2.906 139 T HA 0.798 nan 4.350 nan 0.000 0.295 139 T C -0.952 173.659 174.700 -0.148 0.000 1.061 139 T CA -2.465 59.563 62.100 -0.120 0.000 1.000 139 T CB 3.202 71.951 68.868 -0.198 0.000 1.103 139 T HN -0.022 8.245 8.240 0.046 0.000 0.486 140 G N 0.178 108.810 108.800 -0.281 0.000 2.338 140 G HA2 0.350 nan 3.960 nan 0.000 0.295 140 G HA3 0.350 nan 3.960 nan 0.000 0.295 140 G C -1.931 172.805 174.900 -0.274 0.000 1.461 140 G CA 0.443 45.384 45.100 -0.265 0.000 0.817 140 G HN -0.150 7.945 8.290 -0.324 0.000 0.556 141 W N -0.209 121.112 121.300 0.035 0.000 3.067 141 W HA 0.315 nan 4.660 nan 0.000 0.417 141 W C 0.110 176.650 176.519 0.035 0.000 1.029 141 W CA -1.436 55.921 57.345 0.019 0.000 1.992 141 W CB 0.346 29.816 29.460 0.017 0.000 1.122 141 W HN 0.430 8.800 8.180 0.318 0.000 0.681 142 G N 0.319 109.242 108.800 0.204 0.000 2.653 142 G HA2 -0.034 nan 3.960 nan 0.000 0.265 142 G HA3 -0.034 nan 3.960 nan 0.000 0.265 142 G C -1.266 173.704 174.900 0.117 0.000 1.237 142 G CA -0.446 44.747 45.100 0.154 0.000 0.946 142 G HN -0.429 8.142 8.290 0.152 -0.190 0.522 143 N N 0.147 118.905 118.700 0.097 0.000 2.416 143 N HA -0.090 nan 4.740 nan 0.000 0.246 143 N C 0.306 175.854 175.510 0.064 0.000 1.260 143 N CA 1.486 54.581 53.050 0.076 0.000 0.897 143 N CB 0.614 39.141 38.487 0.066 0.000 1.110 143 N HN 0.059 8.498 8.380 0.098 0.000 0.439 144 L N -0.261 120.995 121.223 0.054 0.000 2.567 144 L HA 0.046 nan 4.340 nan 0.000 0.225 144 L C -0.714 176.180 176.870 0.040 0.000 1.119 144 L CA 0.556 55.422 54.840 0.044 0.000 0.871 144 L CB 0.267 42.348 42.059 0.038 0.000 1.036 144 L HN 0.734 8.996 8.230 0.052 0.000 0.459 145 K N -4.040 116.385 120.400 0.040 0.000 2.551 145 K HA 0.187 nan 4.320 nan 0.000 0.269 145 K C -1.284 175.339 176.600 0.038 0.000 0.949 145 K CA -0.799 55.509 56.287 0.035 0.000 0.849 145 K CB 2.432 34.950 32.500 0.029 0.000 1.411 145 K HN -0.740 7.485 8.250 0.044 0.052 0.432 146 E N 1.716 121.937 120.200 0.035 0.000 2.106 146 E HA -0.224 nan 4.350 nan 0.000 0.192 146 E C 0.112 176.732 176.600 0.033 0.000 0.984 146 E CA 2.297 58.719 56.400 0.037 0.000 0.806 146 E CB 0.481 30.202 29.700 0.034 0.000 0.750 146 E HN 0.547 8.926 8.360 0.032 0.000 0.458 151 Q N 1.051 120.880 119.800 0.050 0.000 2.306 151 Q HA 0.536 nan 4.340 nan 0.000 0.265 151 Q C -2.086 173.953 176.000 0.065 0.000 1.022 151 Q CA -2.808 53.035 55.803 0.067 0.000 0.853 151 Q CB 1.774 30.555 28.738 0.073 0.000 1.327 151 Q HN -0.044 8.252 8.270 0.043 0.000 0.449 152 P HA 0.204 nan 4.420 nan 0.000 0.274 152 P C 0.164 177.510 177.300 0.077 0.000 1.246 152 P CA -0.658 62.485 63.100 0.071 0.000 0.795 152 P CB 1.457 33.201 31.700 0.074 0.000 1.006 153 S N -1.071 114.658 115.700 0.047 0.000 2.439 153 S HA -0.020 nan 4.470 nan 0.000 0.224 153 S C -0.382 174.235 174.600 0.028 0.000 1.029 153 S CA 1.705 59.924 58.200 0.032 0.000 0.946 153 S CB 0.602 63.811 63.200 0.015 0.000 0.797 153 S HN 0.618 8.948 8.310 0.033 0.000 0.504 154 V N -6.135 113.778 119.914 -0.000 0.000 3.126 154 V HA 0.641 nan 4.120 nan 0.000 0.314 154 V C -1.454 174.595 176.094 -0.075 0.000 1.138 154 V CA -3.291 58.933 62.300 -0.127 0.000 1.034 154 V CB 3.509 35.068 31.823 -0.440 0.000 1.075 154 V HN -0.928 7.263 8.190 0.002 0.000 0.442 155 L N 1.878 122.961 121.223 -0.233 0.000 2.578 155 L HA 0.011 nan 4.340 nan 0.000 0.279 155 L C -0.989 175.688 176.870 -0.323 0.000 1.227 155 L CA 1.409 55.908 54.840 -0.569 0.000 0.900 155 L CB 0.742 42.418 42.059 -0.639 0.000 1.144 155 L HN 0.206 8.268 8.230 -0.280 0.000 0.496 156 Q N 4.637 124.255 119.800 -0.303 0.000 2.248 156 Q HA 0.761 nan 4.340 nan 0.000 0.263 156 Q C -1.972 173.932 176.000 -0.160 0.000 1.007 156 Q CA -1.718 53.989 55.803 -0.159 0.000 0.877 156 Q CB 2.896 31.583 28.738 -0.085 0.000 1.315 156 Q HN -0.153 7.872 8.270 -0.409 0.000 0.454 157 V N 0.637 120.492 119.914 -0.099 0.000 2.841 157 V HA 0.783 nan 4.120 nan 0.000 0.310 157 V C -2.968 173.105 176.094 -0.035 0.000 1.090 157 V CA -1.766 60.481 62.300 -0.088 0.000 0.930 157 V CB 3.695 35.450 31.823 -0.114 0.000 1.014 157 V HN 0.507 8.655 8.190 -0.071 0.000 0.425 158 V N 6.327 126.232 119.914 -0.014 0.000 2.932 158 V HA 0.658 nan 4.120 nan 0.000 0.307 158 V C -3.116 172.994 176.094 0.027 0.000 1.147 158 V CA -1.043 61.275 62.300 0.030 0.000 0.951 158 V CB 4.536 36.400 31.823 0.067 0.000 1.031 158 V HN 0.487 8.660 8.190 -0.028 0.000 0.426 159 N N 6.260 124.994 118.700 0.057 0.000 2.419 159 N HA 0.786 nan 4.740 nan 0.000 0.277 159 N C -1.598 173.964 175.510 0.086 0.000 1.006 159 N CA -0.691 52.381 53.050 0.037 0.000 0.923 159 N CB 1.521 40.038 38.487 0.051 0.000 1.140 159 N HN 0.415 8.845 8.380 0.083 0.000 0.488 160 L N 1.957 123.185 121.223 0.008 0.000 2.401 160 L HA 0.578 nan 4.340 nan 0.000 0.266 160 L C -2.556 174.267 176.870 -0.078 0.000 0.991 160 L CA -3.242 51.562 54.840 -0.060 0.000 0.818 160 L CB 3.736 45.838 42.059 0.072 0.000 1.321 160 L HN 0.755 8.952 8.230 -0.054 0.000 0.413 161 P HA 0.358 nan 4.420 nan 0.000 0.279 161 P C -1.148 176.124 177.300 -0.048 0.000 1.239 161 P CA -0.942 62.080 63.100 -0.131 0.000 0.789 161 P CB 0.594 32.156 31.700 -0.230 0.000 0.933 162 I N 2.016 122.591 120.570 0.008 0.000 2.634 162 I HA 0.079 nan 4.170 nan 0.000 0.284 162 I C -0.339 175.712 176.117 -0.110 0.000 1.124 162 I CA 0.912 62.181 61.300 -0.051 0.000 1.417 162 I CB 0.532 38.464 38.000 -0.113 0.000 1.396 162 I HN 0.308 8.547 8.210 0.049 0.000 0.571 163 V N 6.325 126.144 119.914 -0.158 0.000 2.667 163 V HA 0.176 nan 4.120 nan 0.000 0.308 163 V C -0.915 175.059 176.094 -0.201 0.000 1.048 163 V CA -1.650 60.511 62.300 -0.231 0.000 0.928 163 V CB 1.706 33.257 31.823 -0.455 0.000 1.004 163 V HN 0.042 8.147 8.190 -0.142 0.000 0.444 164 E N 3.199 123.293 120.200 -0.177 0.000 2.465 164 E HA -0.135 nan 4.350 nan 0.000 0.260 164 E C 1.036 177.566 176.600 -0.117 0.000 0.980 164 E CA 0.506 56.830 56.400 -0.126 0.000 0.927 164 E CB 0.297 29.938 29.700 -0.098 0.000 0.934 164 E HN 0.219 8.473 8.360 -0.178 0.000 0.459 165 R N 4.975 125.437 120.500 -0.064 0.000 2.119 165 R HA -0.257 nan 4.340 nan 0.000 0.246 165 R C 0.585 176.881 176.300 -0.006 0.000 1.146 165 R CA 4.943 61.033 56.100 -0.016 0.000 0.962 165 R CB -2.809 27.501 30.300 0.017 0.000 0.863 165 R HN 0.753 8.988 8.270 -0.058 0.000 0.442 166 P HA -0.133 nan 4.420 nan 0.000 0.215 166 P C 1.530 178.826 177.300 -0.006 0.000 1.153 166 P CA 3.192 66.292 63.100 -0.001 0.000 0.853 166 P CB -0.627 31.068 31.700 -0.009 0.000 0.788 167 V N -2.274 117.605 119.914 -0.059 0.000 2.343 167 V HA -0.363 nan 4.120 nan 0.000 0.247 167 V C 1.742 177.772 176.094 -0.105 0.000 1.051 167 V CA 3.345 65.587 62.300 -0.097 0.000 1.036 167 V CB -0.892 30.806 31.823 -0.208 0.000 0.654 167 V HN -0.496 7.647 8.190 -0.078 0.000 0.451 168 c N -1.228 117.291 118.600 -0.135 0.000 2.432 168 c HA -0.339 nan 4.570 nan 0.000 0.277 168 c C 2.248 176.485 174.090 0.245 0.000 1.249 168 c CA 3.295 59.619 56.329 -0.010 0.000 1.725 168 c CB -1.586 40.904 42.510 -0.034 0.000 2.028 168 c HN -0.331 7.729 8.230 -0.152 0.078 0.477 169 K N -0.225 120.275 120.400 0.168 0.000 2.057 169 K HA -0.347 nan 4.320 nan 0.000 0.207 169 K C 2.421 179.107 176.600 0.142 0.000 1.049 169 K CA 3.418 59.802 56.287 0.161 0.000 0.931 169 K CB -0.342 32.219 32.500 0.101 0.000 0.714 169 K HN 0.153 8.465 8.250 0.102 0.000 0.440 170 D N -1.935 118.534 120.400 0.115 0.000 2.378 170 D HA -0.031 nan 4.640 nan 0.000 0.227 170 D C 0.725 177.113 176.300 0.146 0.000 1.012 170 D CA 2.152 56.216 54.000 0.107 0.000 0.905 170 D CB -0.729 40.118 40.800 0.078 0.000 0.895 170 D HN -0.133 8.292 8.370 0.092 0.000 0.532 171 S N -3.337 112.490 115.700 0.212 0.000 2.540 171 S HA 0.079 nan 4.470 nan 0.000 0.218 171 S C -0.605 174.139 174.600 0.240 0.000 0.977 171 S CA 0.718 59.075 58.200 0.261 0.000 0.918 171 S CB 1.780 65.237 63.200 0.429 0.000 0.806 171 S HN -0.444 7.815 8.310 0.232 0.190 0.496 172 T N 0.804 115.485 114.554 0.211 0.000 2.821 172 T HA 0.324 nan 4.350 nan 0.000 0.306 172 T C -0.612 174.151 174.700 0.104 0.000 1.313 172 T CA -0.363 61.845 62.100 0.180 0.000 1.012 172 T CB 1.816 70.840 68.868 0.260 0.000 1.298 172 T HN -0.713 7.584 8.240 0.193 0.058 0.502 173 R N 1.510 122.044 120.500 0.056 0.000 2.280 173 R HA 0.191 nan 4.340 nan 0.000 0.195 173 R C 0.635 176.915 176.300 -0.033 0.000 0.935 173 R CA 0.236 56.342 56.100 0.010 0.000 1.033 173 R CB 0.787 31.084 30.300 -0.006 0.000 0.964 173 R HN 0.422 8.727 8.270 0.058 0.000 0.489 174 I N 0.734 121.267 120.570 -0.061 0.000 2.648 174 I HA -0.139 nan 4.170 nan 0.000 0.284 174 I C -0.051 176.009 176.117 -0.095 0.000 1.153 174 I CA -0.762 60.435 61.300 -0.173 0.000 1.426 174 I CB 0.269 38.006 38.000 -0.438 0.000 1.381 174 I HN -0.605 7.548 8.210 -0.014 0.049 0.571 175 R N 6.045 126.477 120.500 -0.113 0.000 2.288 175 R HA -0.011 nan 4.340 nan 0.000 0.330 175 R C -0.828 175.455 176.300 -0.029 0.000 1.069 175 R CA -0.048 56.018 56.100 -0.057 0.000 0.941 175 R CB -0.129 30.130 30.300 -0.069 0.000 0.998 175 R HN 0.082 8.259 8.270 -0.155 0.000 0.452 176 I N 1.539 122.131 120.570 0.037 0.000 2.428 176 I HA 0.292 nan 4.170 nan 0.000 0.296 176 I C -1.159 175.011 176.117 0.089 0.000 0.985 176 I CA -1.357 60.002 61.300 0.099 0.000 1.260 176 I CB 2.157 40.267 38.000 0.183 0.000 1.389 176 I HN -0.051 8.187 8.210 0.046 0.000 0.484 177 T N -1.758 112.857 114.554 0.102 0.000 2.919 177 T HA 0.321 nan 4.350 nan 0.000 0.282 177 T C 0.738 175.493 174.700 0.092 0.000 1.020 177 T CA -1.698 60.443 62.100 0.068 0.000 0.994 177 T CB 3.028 71.917 68.868 0.035 0.000 1.180 177 T HN -0.303 8.020 8.240 0.139 0.000 0.566 178 D N 0.427 120.857 120.400 0.050 0.000 2.371 178 D HA -0.032 nan 4.640 nan 0.000 0.221 178 D C 0.631 176.949 176.300 0.030 0.000 0.986 178 D CA 2.273 56.297 54.000 0.040 0.000 0.899 178 D CB -0.396 40.396 40.800 -0.014 0.000 0.902 178 D HN 0.361 8.746 8.370 0.024 0.000 0.530 179 N N -1.420 117.313 118.700 0.055 0.000 2.370 179 N HA 0.072 nan 4.740 nan 0.000 0.198 179 N C -1.516 174.120 175.510 0.210 0.000 1.156 179 N CA 0.355 53.454 53.050 0.081 0.000 0.839 179 N CB 0.829 39.327 38.487 0.017 0.000 0.989 179 N HN -0.493 7.850 8.380 0.051 0.068 0.468 180 M N -1.525 118.226 119.600 0.252 0.000 2.619 180 M HA 0.659 nan 4.480 nan 0.000 0.297 180 M C -2.649 173.855 176.300 0.340 0.000 1.229 180 M CA -0.229 55.226 55.300 0.258 0.000 0.860 180 M CB 4.990 37.764 32.600 0.290 0.000 1.741 180 M HN -0.659 7.672 8.290 0.221 0.092 0.462 181 F N -4.124 115.904 119.950 0.130 0.000 2.645 181 F HA 0.869 nan 4.527 nan 0.000 0.310 181 F C -2.862 172.824 175.800 -0.190 0.000 1.102 181 F CA -2.210 55.778 58.000 -0.019 0.000 0.952 181 F CB 3.008 41.947 39.000 -0.101 0.000 1.326 181 F HN 0.272 8.419 8.300 -0.255 0.000 0.456 182 c N -2.338 116.125 118.600 -0.228 0.000 2.562 182 c HA 1.037 nan 4.570 nan 0.000 0.332 182 c C -2.007 171.953 174.090 -0.217 0.000 1.201 182 c CA -4.068 51.908 56.329 -0.587 0.000 1.803 182 c CB 3.606 45.333 42.510 -1.304 0.000 2.328 182 c HN 0.451 8.641 8.230 -0.067 0.000 0.500 183 A N 0.232 122.984 122.820 -0.113 0.000 2.520 183 A HA 0.760 nan 4.320 nan 0.000 0.298 183 A C -2.538 175.126 177.584 0.134 0.000 1.051 183 A CA -0.577 51.459 52.037 -0.002 0.000 0.690 183 A CB 3.161 22.137 19.000 -0.040 0.000 1.281 183 A HN 0.431 8.512 8.150 -0.115 0.000 0.402 184 Y N 1.716 122.116 120.300 0.167 0.000 2.336 184 Y HA -0.212 nan 4.550 nan 0.000 0.331 184 Y C -0.104 175.908 175.900 0.186 0.000 1.211 184 Y CA -0.028 58.163 58.100 0.152 0.000 1.346 184 Y CB 1.183 39.692 38.460 0.082 0.000 1.271 184 Y HN 0.318 8.750 8.280 0.253 0.000 0.538 185 K N 1.404 122.026 120.400 0.369 0.000 2.418 185 K HA -0.107 nan 4.320 nan 0.000 0.195 185 K C -0.317 176.391 176.600 0.181 0.000 1.035 185 K CA 0.174 56.645 56.287 0.307 0.000 1.003 185 K CB -0.156 32.499 32.500 0.259 0.000 0.793 185 K HN 0.520 8.980 8.250 0.350 0.000 0.494 186 K N -2.024 118.166 120.400 -0.350 0.000 2.476 186 K HA -0.387 nan 4.320 nan 0.000 0.397 186 K C -0.795 175.533 176.600 -0.453 0.000 1.525 186 K CA 0.933 56.880 56.287 -0.566 0.000 1.189 186 K CB -0.123 31.699 32.500 -1.129 0.000 1.243 186 K HN 0.010 8.039 8.250 -0.368 0.000 0.851 187 R N -3.737 116.616 120.500 -0.246 0.000 2.929 187 R HA 0.531 nan 4.340 nan 0.000 0.259 187 R C -1.527 174.873 176.300 0.166 0.000 1.141 187 R CA -1.125 55.007 56.100 0.052 0.000 0.991 187 R CB 2.697 33.010 30.300 0.022 0.000 1.287 187 R HN -0.002 8.122 8.270 -0.243 0.000 0.450 188 G N -1.699 107.199 108.800 0.164 0.000 2.316 188 G HA2 -0.156 nan 3.960 nan 0.000 0.468 188 G HA3 -0.156 nan 3.960 nan 0.000 0.468 188 G C -3.029 171.959 174.900 0.147 0.000 1.523 188 G CA -0.245 44.946 45.100 0.151 0.000 0.972 188 G HN 0.283 8.988 8.290 0.133 -0.335 0.667 189 D N -1.665 118.808 120.400 0.121 0.000 2.742 189 D HA 0.292 nan 4.640 nan 0.000 0.262 189 D C -2.125 174.244 176.300 0.116 0.000 1.240 189 D CA -0.406 53.667 54.000 0.122 0.000 0.752 189 D CB 3.785 44.632 40.800 0.079 0.000 1.290 189 D HN -0.297 8.137 8.370 0.106 0.000 0.420 190 A N -0.795 122.102 122.820 0.128 0.000 2.332 190 A HA 0.525 nan 4.320 nan 0.000 0.258 190 A C -1.770 175.863 177.584 0.082 0.000 1.087 190 A CA -0.716 51.389 52.037 0.112 0.000 0.802 190 A CB 1.340 20.415 19.000 0.125 0.000 1.042 190 A HN 0.362 8.600 8.150 0.146 0.000 0.489 191 c N -1.128 117.523 118.600 0.086 0.000 3.275 191 c HA 0.431 nan 4.570 nan 0.000 0.373 191 c C -1.396 172.751 174.090 0.094 0.000 1.934 191 c CA -1.585 54.793 56.329 0.081 0.000 1.228 191 c CB 3.642 46.195 42.510 0.071 0.000 2.317 191 c HN 0.260 8.895 8.230 0.094 -0.349 0.437 192 E N 1.550 121.803 120.200 0.089 0.000 2.493 192 E HA -0.255 nan 4.350 nan 0.000 0.255 192 E C 0.288 176.953 176.600 0.110 0.000 0.999 192 E CA 1.816 58.274 56.400 0.098 0.000 0.934 192 E CB 0.463 30.211 29.700 0.081 0.000 0.940 192 E HN 0.685 9.092 8.360 0.078 0.000 0.473 193 G N 6.821 115.696 108.800 0.125 0.000 2.218 193 G HA2 -0.322 nan 3.960 nan 0.000 0.216 193 G HA3 -0.322 nan 3.960 nan 0.000 0.216 193 G C 0.371 175.373 174.900 0.171 0.000 0.994 193 G CA 0.664 45.851 45.100 0.145 0.000 0.637 193 G HN 0.723 9.091 8.290 0.129 0.000 0.505 194 D N 1.154 121.645 120.400 0.151 0.000 2.346 194 D HA 0.078 nan 4.640 nan 0.000 0.206 194 D C 0.233 176.625 176.300 0.153 0.000 1.001 194 D CA 1.197 55.286 54.000 0.148 0.000 0.871 194 D CB 0.600 41.475 40.800 0.125 0.000 0.943 194 D HN 0.105 8.484 8.370 0.137 0.073 0.518 195 S N -0.672 115.123 115.700 0.158 0.000 2.561 195 S HA -0.253 nan 4.470 nan 0.000 0.294 195 S C 1.177 175.844 174.600 0.111 0.000 1.294 195 S CA 2.427 60.730 58.200 0.171 0.000 1.055 195 S CB -0.090 63.257 63.200 0.245 0.000 0.819 195 S HN -0.183 8.223 8.310 0.160 0.000 0.503 196 G N 4.023 112.889 108.800 0.110 0.000 2.253 196 G HA2 -0.420 nan 3.960 nan 0.000 0.251 196 G HA3 -0.420 nan 3.960 nan 0.000 0.251 196 G C -0.233 174.760 174.900 0.156 0.000 0.998 196 G CA 0.232 45.388 45.100 0.093 0.000 0.621 196 G HN 0.475 8.752 8.290 0.156 0.107 0.524 197 G N 1.913 110.819 108.800 0.177 0.000 2.634 197 G HA2 0.096 nan 3.960 nan 0.000 0.255 197 G HA3 0.096 nan 3.960 nan 0.000 0.255 197 G C -2.480 172.561 174.900 0.235 0.000 1.205 197 G CA -1.806 43.411 45.100 0.195 0.000 0.884 197 G HN -0.405 7.886 8.290 0.169 0.101 0.549 198 P HA 0.315 nan 4.420 nan 0.000 0.285 198 P C -2.225 175.247 177.300 0.287 0.000 1.259 198 P CA -0.962 62.291 63.100 0.255 0.000 0.794 198 P CB 0.934 32.773 31.700 0.232 0.000 0.940 199 F N 4.491 124.531 119.950 0.150 0.000 2.361 199 F HA 0.465 nan 4.527 nan 0.000 0.364 199 F C -2.020 173.837 175.800 0.096 0.000 1.117 199 F CA -1.692 56.349 58.000 0.069 0.000 1.071 199 F CB 1.745 40.691 39.000 -0.091 0.000 1.188 199 F HN 0.232 8.682 8.300 0.427 0.105 0.464 200 V N 3.150 122.992 119.914 -0.120 0.000 2.919 200 V HA 0.855 nan 4.120 nan 0.000 0.316 200 V C -2.200 173.902 176.094 0.014 0.000 1.077 200 V CA -3.259 59.070 62.300 0.049 0.000 0.977 200 V CB 3.077 34.992 31.823 0.153 0.000 1.039 200 V HN 1.053 8.976 8.190 -0.265 0.108 0.441 201 M N -0.091 119.592 119.600 0.139 0.000 2.572 201 M HA 0.540 nan 4.480 nan 0.000 0.299 201 M C -2.037 174.189 176.300 -0.124 0.000 1.205 201 M CA -0.571 54.743 55.300 0.023 0.000 0.876 201 M CB 5.285 37.884 32.600 -0.002 0.000 1.728 201 M HN 0.670 9.071 8.290 0.185 0.000 0.458 202 K N 1.285 121.377 120.400 -0.513 0.000 2.240 202 K HA 0.307 nan 4.320 nan 0.000 0.271 202 K C -0.697 175.661 176.600 -0.404 0.000 1.018 202 K CA -1.195 54.571 56.287 -0.869 0.000 0.874 202 K CB 1.141 32.704 32.500 -1.563 0.000 1.098 202 K HN -0.306 7.690 8.250 -0.422 0.000 0.458 203 S N 7.179 122.759 115.700 -0.200 0.000 2.154 203 S HA -0.158 nan 4.470 nan 0.000 0.154 203 S C 0.799 175.310 174.600 -0.149 0.000 1.392 203 S CA 1.602 59.738 58.200 -0.106 0.000 2.418 203 S CB 0.615 63.844 63.200 0.049 0.000 0.325 203 S HN 0.874 9.107 8.310 -0.130 0.000 0.348 204 N N 0.294 118.987 118.700 -0.011 0.000 2.178 204 N HA -0.369 nan 4.740 nan 0.000 0.229 204 N C 0.157 175.659 175.510 -0.014 0.000 1.390 204 N CA 1.626 54.679 53.050 0.006 0.000 0.820 204 N CB -2.079 36.436 38.487 0.046 0.000 1.303 204 N HN 0.553 8.929 8.380 -0.007 0.000 0.628 205 N N -5.051 113.615 118.700 -0.057 0.000 2.741 205 N HA -0.443 nan 4.740 nan 0.000 0.251 205 N C -1.004 174.420 175.510 -0.144 0.000 1.112 205 N CA 1.654 54.634 53.050 -0.117 0.000 0.750 205 N CB -1.053 37.393 38.487 -0.068 0.000 1.119 205 N HN -0.034 8.309 8.380 -0.061 0.000 0.561 206 R N -2.856 117.571 120.500 -0.122 0.000 2.573 206 R HA 0.199 nan 4.340 nan 0.000 0.272 206 R C -1.254 174.849 176.300 -0.329 0.000 1.009 206 R CA -1.190 54.805 56.100 -0.175 0.000 1.059 206 R CB 1.710 31.870 30.300 -0.232 0.000 1.112 206 R HN -0.402 8.089 8.270 -0.040 -0.244 0.517 207 W N -0.330 120.793 121.300 -0.294 0.000 2.351 207 W HA 0.242 nan 4.660 nan 0.000 0.311 207 W C -0.540 175.611 176.519 -0.612 0.000 1.168 207 W CA -0.259 56.880 57.345 -0.344 0.000 1.200 207 W CB 0.909 30.135 29.460 -0.391 0.000 1.221 207 W HN -0.030 8.063 8.180 0.068 0.128 0.519 208 Y N 1.688 121.966 120.300 -0.037 0.000 2.393 208 Y HA 0.312 nan 4.550 nan 0.000 0.341 208 Y C -1.518 174.351 175.900 -0.052 0.000 0.988 208 Y CA -1.508 56.547 58.100 -0.075 0.000 1.078 208 Y CB 3.388 41.814 38.460 -0.057 0.000 1.203 208 Y HN 0.864 9.257 8.280 0.188 0.000 0.453 209 Q N 3.861 123.704 119.800 0.072 0.000 2.361 209 Q HA 0.160 nan 4.340 nan 0.000 0.250 209 Q C -0.574 175.553 176.000 0.211 0.000 1.023 209 Q CA -0.762 55.104 55.803 0.104 0.000 0.915 209 Q CB 0.550 29.318 28.738 0.050 0.000 1.238 209 Q HN 0.290 8.579 8.270 0.031 0.000 0.451 210 M N 5.833 125.597 119.600 0.273 0.000 2.435 210 M HA 0.102 nan 4.480 nan 0.000 0.265 210 M C -0.446 176.069 176.300 0.358 0.000 1.104 210 M CA 0.137 55.582 55.300 0.243 0.000 1.140 210 M CB 0.977 33.682 32.600 0.175 0.000 1.372 210 M HN 0.395 8.872 8.290 0.311 0.000 0.456 211 G N -4.059 105.026 108.800 0.475 0.000 2.694 211 G HA2 0.617 nan 3.960 nan 0.000 0.290 211 G HA3 0.617 nan 3.960 nan 0.000 0.290 211 G C -2.978 172.136 174.900 0.357 0.000 1.386 211 G CA -0.646 44.699 45.100 0.408 0.000 0.872 211 G HN -0.332 8.262 8.290 0.506 0.000 0.475 212 I N -0.274 120.472 120.570 0.295 0.000 2.436 212 I HA 0.409 nan 4.170 nan 0.000 0.289 212 I C -0.499 175.772 176.117 0.256 0.000 1.010 212 I CA -1.361 60.105 61.300 0.277 0.000 1.098 212 I CB 3.486 41.610 38.000 0.208 0.000 1.266 212 I HN -0.311 8.104 8.210 0.218 -0.074 0.434 213 V N 7.492 127.566 119.914 0.265 0.000 2.475 213 V HA -0.256 nan 4.120 nan 0.000 0.292 213 V C -0.665 175.458 176.094 0.049 0.000 1.003 213 V CA 1.946 64.275 62.300 0.048 0.000 1.120 213 V CB -2.152 29.756 31.823 0.140 0.000 0.937 213 V HN 0.580 8.952 8.190 0.305 0.000 0.476 214 S N 8.584 124.219 115.700 -0.108 0.000 2.942 214 S HA 0.404 nan 4.470 nan 0.000 0.220 214 S C -0.335 174.356 174.600 0.153 0.000 0.945 214 S CA 0.737 59.015 58.200 0.130 0.000 0.851 214 S CB 1.992 65.272 63.200 0.132 0.000 0.820 214 S HN 0.326 8.361 8.310 -0.459 0.000 0.624 215 W N -2.156 119.069 121.300 -0.125 0.000 3.074 215 W HA 0.260 nan 4.660 nan 0.000 0.332 215 W C -2.394 174.115 176.519 -0.018 0.000 1.253 215 W CA -1.051 56.229 57.345 -0.109 0.000 1.180 215 W CB 1.748 31.116 29.460 -0.153 0.000 1.445 215 W HN -0.374 7.613 8.180 -0.320 0.000 0.573 216 G N -0.194 108.787 108.800 0.300 0.000 2.691 216 G HA2 0.029 nan 3.960 nan 0.000 0.298 216 G HA3 0.029 nan 3.960 nan 0.000 0.298 216 G C -1.404 173.649 174.900 0.255 0.000 1.471 216 G CA -0.268 44.946 45.100 0.190 0.000 0.912 216 G HN -0.318 8.201 8.290 0.382 0.000 0.553 220 c N 2.063 120.688 118.600 0.042 0.000 3.074 220 c HA 0.229 nan 4.570 nan 0.000 0.224 220 c C -1.348 172.759 174.090 0.028 0.000 1.988 220 c CA -1.016 55.337 56.329 0.040 0.000 1.470 220 c CB -0.761 41.777 42.510 0.047 0.000 2.762 220 c HN 0.069 8.647 8.230 0.038 -0.325 0.502 221 R N -0.355 120.130 120.500 -0.025 0.000 2.858 221 R HA 0.131 nan 4.340 nan 0.000 0.252 221 R C -1.921 174.338 176.300 -0.069 0.000 1.063 221 R CA -0.205 55.877 56.100 -0.029 0.000 0.955 221 R CB 2.310 32.603 30.300 -0.012 0.000 1.259 221 R HN -0.097 8.159 8.270 -0.024 0.000 0.477 222 D N 3.256 123.627 120.400 -0.048 0.000 2.493 222 D HA -0.147 nan 4.640 nan 0.000 0.240 222 D C 1.040 177.291 176.300 -0.083 0.000 1.142 222 D CA 1.985 55.949 54.000 -0.060 0.000 0.872 222 D CB 0.013 40.801 40.800 -0.020 0.000 1.173 222 D HN 0.205 8.560 8.370 -0.025 0.000 0.467 223 G N 2.172 110.885 108.800 -0.145 0.000 2.179 223 G HA2 -0.424 nan 3.960 nan 0.000 0.260 223 G HA3 -0.424 nan 3.960 nan 0.000 0.260 223 G C -0.792 173.988 174.900 -0.201 0.000 0.977 223 G CA 0.033 45.069 45.100 -0.107 0.000 0.641 223 G HN 0.412 8.593 8.290 -0.181 0.000 0.533 224 K N -0.179 120.014 120.400 -0.346 0.000 2.208 224 K HA 0.370 nan 4.320 nan 0.000 0.247 224 K C -1.525 174.688 176.600 -0.645 0.000 0.953 224 K CA -1.506 54.623 56.287 -0.262 0.000 0.837 224 K CB 2.098 34.562 32.500 -0.061 0.000 1.131 224 K HN -0.522 7.459 8.250 -0.318 0.078 0.431 225 Y N -1.614 118.686 120.300 0.000 0.000 2.602 225 Y HA 0.453 nan 4.550 nan 0.000 0.342 225 Y C 0.072 175.831 175.900 -0.236 0.000 1.029 225 Y CA -1.409 56.605 58.100 -0.143 0.000 1.080 225 Y CB 3.689 41.973 38.460 -0.293 0.000 1.284 225 Y HN 0.020 8.389 8.280 0.148 0.000 0.485 226 G N -0.745 107.990 108.800 -0.109 0.000 2.395 226 G HA2 0.236 nan 3.960 nan 0.000 0.283 226 G HA3 0.236 nan 3.960 nan 0.000 0.283 226 G C -2.130 172.361 174.900 -0.682 0.000 1.178 226 G CA -0.615 44.317 45.100 -0.279 0.000 0.837 226 G HN 0.349 8.657 8.290 0.030 0.000 0.518 227 F N 3.255 122.656 119.950 -0.916 0.000 2.450 227 F HA 0.726 nan 4.527 nan 0.000 0.332 227 F C -1.334 173.781 175.800 -1.141 0.000 1.093 227 F CA -0.933 56.448 58.000 -1.032 0.000 1.003 227 F CB 3.293 41.289 39.000 -1.674 0.000 1.151 227 F HN 0.706 8.626 8.300 -0.633 0.000 0.474 228 Y N 1.087 121.006 120.300 -0.634 0.000 2.462 228 Y HA 0.386 nan 4.550 nan 0.000 0.346 228 Y C -0.486 175.126 175.900 -0.480 0.000 0.976 228 Y CA -1.407 56.291 58.100 -0.671 0.000 1.044 228 Y CB 3.418 41.084 38.460 -1.325 0.000 1.230 228 Y HN 0.962 8.907 8.280 -0.558 0.000 0.455 229 T N 6.487 121.019 114.554 -0.037 0.000 2.888 229 T HA -0.073 nan 4.350 nan 0.000 0.301 229 T C -0.539 174.287 174.700 0.210 0.000 1.001 229 T CA 1.304 63.467 62.100 0.105 0.000 1.147 229 T CB -0.038 68.918 68.868 0.147 0.000 0.931 229 T HN 0.450 8.697 8.240 0.011 0.000 0.541 230 H N 8.189 127.386 119.070 0.212 0.000 3.067 230 H HA 0.080 nan 4.556 nan 0.000 0.265 230 H C 0.679 176.161 175.328 0.257 0.000 1.234 230 H CA -0.384 55.879 56.048 0.359 0.000 1.452 230 H CB -0.098 29.855 29.762 0.317 0.000 1.527 230 H HN 0.309 8.696 8.280 0.342 0.099 0.486 231 V N 7.569 127.731 119.914 0.413 0.000 2.295 231 V HA -0.428 nan 4.120 nan 0.000 0.246 231 V C 1.950 178.253 176.094 0.348 0.000 1.049 231 V CA 4.596 67.099 62.300 0.338 0.000 1.024 231 V CB -0.619 31.377 31.823 0.288 0.000 0.648 231 V HN -0.212 8.197 8.190 0.366 0.000 0.447 232 F N -0.528 119.627 119.950 0.342 0.000 2.134 232 F HA -0.283 nan 4.527 nan 0.000 0.299 232 F C 1.534 177.462 175.800 0.212 0.000 1.097 232 F CA 2.905 61.063 58.000 0.265 0.000 1.264 232 F CB -0.215 38.934 39.000 0.249 0.000 1.001 232 F HN -0.468 8.171 8.300 0.566 0.000 0.479 233 R N -2.938 117.525 120.500 -0.061 0.000 2.159 233 R HA -0.279 nan 4.340 nan 0.000 0.237 233 R C 1.238 177.427 176.300 -0.185 0.000 1.131 233 R CA 2.350 58.271 56.100 -0.298 0.000 0.982 233 R CB -0.272 29.839 30.300 -0.315 0.000 0.868 233 R HN -0.504 8.053 8.270 0.477 0.000 0.453 234 L N -3.764 117.443 121.223 -0.027 0.000 2.769 234 L HA 0.305 nan 4.340 nan 0.000 0.240 234 L C -0.073 176.894 176.870 0.161 0.000 1.163 234 L CA -0.825 54.077 54.840 0.104 0.000 0.962 234 L CB -0.150 42.009 42.059 0.167 0.000 1.258 234 L HN -0.549 7.568 8.230 0.058 0.148 0.513 235 K N 1.402 121.789 120.400 -0.022 0.000 2.097 235 K HA -0.386 nan 4.320 nan 0.000 0.206 235 K C 1.024 177.623 176.600 -0.002 0.000 1.049 235 K CA 3.174 59.458 56.287 -0.004 0.000 0.933 235 K CB -0.516 31.931 32.500 -0.088 0.000 0.717 235 K HN -0.121 7.817 8.250 -0.195 0.195 0.442 236 K N -1.256 119.129 120.400 -0.026 0.000 2.063 236 K HA -0.331 nan 4.320 nan 0.000 0.208 236 K C 1.995 178.624 176.600 0.048 0.000 1.048 236 K CA 3.522 59.810 56.287 0.001 0.000 0.928 236 K CB -0.411 32.091 32.500 0.002 0.000 0.713 236 K HN 0.036 8.228 8.250 -0.097 0.000 0.442 237 W N -0.795 120.494 121.300 -0.018 0.000 2.358 237 W HA -0.279 nan 4.660 nan 0.000 0.303 237 W C 1.630 178.119 176.519 -0.051 0.000 1.208 237 W CA 3.231 60.568 57.345 -0.014 0.000 1.274 237 W CB -0.046 29.457 29.460 0.072 0.000 1.138 237 W HN -0.808 7.562 8.180 0.317 0.000 0.515 238 I N -0.957 119.513 120.570 -0.167 0.000 2.163 238 I HA -0.764 nan 4.170 nan 0.000 0.243 238 I C 2.080 177.913 176.117 -0.473 0.000 1.085 238 I CA 4.225 65.269 61.300 -0.426 0.000 1.347 238 I CB -0.328 37.603 38.000 -0.114 0.000 1.044 238 I HN -0.493 7.747 8.210 0.171 0.073 0.408 239 Q N -1.473 118.162 119.800 -0.276 0.000 2.084 239 Q HA -0.395 nan 4.340 nan 0.000 0.202 239 Q C 2.544 178.367 176.000 -0.295 0.000 0.978 239 Q CA 3.463 59.118 55.803 -0.245 0.000 0.844 239 Q CB -0.294 28.367 28.738 -0.129 0.000 0.898 239 Q HN 0.161 8.330 8.270 -0.169 0.000 0.426 240 K N 0.327 120.549 120.400 -0.298 0.000 2.009 240 K HA -0.369 nan 4.320 nan 0.000 0.210 240 K C 2.530 178.903 176.600 -0.379 0.000 1.049 240 K CA 3.656 59.772 56.287 -0.285 0.000 0.929 240 K CB -0.149 32.222 32.500 -0.214 0.000 0.714 240 K HN -0.382 7.710 8.250 -0.264 0.000 0.440 241 V N -0.127 119.441 119.914 -0.577 0.000 2.287 241 V HA -0.395 nan 4.120 nan 0.000 0.248 241 V C 2.131 177.925 176.094 -0.499 0.000 1.053 241 V CA 4.404 66.370 62.300 -0.556 0.000 1.027 241 V CB -0.687 30.547 31.823 -0.983 0.000 0.646 241 V HN -0.289 7.444 8.190 -0.762 0.000 0.447 242 I N -1.629 118.522 120.570 -0.698 0.000 2.252 242 I HA -0.521 nan 4.170 nan 0.000 0.245 242 I C 1.929 177.890 176.117 -0.259 0.000 1.102 242 I CA 3.600 64.509 61.300 -0.653 0.000 1.385 242 I CB -0.233 37.286 38.000 -0.802 0.000 1.064 242 I HN -0.398 7.365 8.210 -0.746 0.000 0.414 243 D N -1.821 118.425 120.400 -0.256 0.000 2.219 243 D HA -0.152 nan 4.640 nan 0.000 0.205 243 D C 1.210 177.398 176.300 -0.187 0.000 0.970 243 D CA 2.435 56.334 54.000 -0.169 0.000 0.851 243 D CB 0.098 40.803 40.800 -0.158 0.000 0.943 243 D HN -0.147 7.929 8.370 -0.314 0.105 0.488 244 Q N -3.199 116.423 119.800 -0.296 0.000 2.376 244 Q HA -0.038 nan 4.340 nan 0.000 0.206 244 Q C -0.287 175.336 176.000 -0.628 0.000 0.921 244 Q CA 1.320 56.819 55.803 -0.506 0.000 0.911 244 Q CB 1.641 29.945 28.738 -0.722 0.000 1.032 244 Q HN -0.457 7.490 8.270 -0.309 0.137 0.510 245 F N 0.000 119.925 119.950 -0.042 0.000 2.286 245 F HA 0.000 nan 4.527 nan 0.000 0.279 245 F CA 0.000 58.055 58.000 0.092 0.000 1.383 245 F CB 0.000 39.041 39.000 0.068 0.000 1.145 245 F HN 0.000 8.162 8.300 -0.061 0.101 0.574