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 3mv7_1_E DATA FIRST_RESID 1 DATA SEQUENCE DSGVTQTPKH LITATGQRVT LRcSPRSGDL SXXXXXXXVY WYQQSLDQGL DATA SEQUENCE QFLIQYYNGE EXXXXRAKGN ILXERFSAQQ FXPDLHSELN LSSLELGDSA DATA SEQUENCE LYFcASSARS GELFFGEGSR LTVLEDLKNV FPPEVAVFEP SEAEISHTQK DATA SEQUENCE ATLVcLATGF YPDHVELSWW VNGKEVHSGV CTDPQPLKEQ PALNDSRYAL DATA SEQUENCE SSRLRVSATF WQNPRNHFRc QVQFYGLSEN DEWTQDRAKP VTQIVSAEAW DATA SEQUENCE GRAD 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 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.325 176.300 0.042 0.000 2.045 1 D CA 0.000 54.023 54.000 0.038 0.000 0.868 1 D CB 0.000 40.820 40.800 0.033 0.000 0.688 2 S N -0.088 115.642 115.700 0.051 0.000 2.589 2 S HA 0.525 4.995 4.470 0.001 0.000 0.235 2 S C 1.527 176.112 174.600 -0.024 0.000 1.051 2 S CA 0.888 59.118 58.200 0.051 0.000 0.978 2 S CB 1.131 64.419 63.200 0.147 0.000 0.929 2 S HN 0.772 nan 8.310 nan 0.000 0.523 3 G N 0.867 109.660 108.800 -0.012 0.000 2.541 3 G HA2 -0.178 3.782 3.960 0.001 0.000 0.201 3 G HA3 -0.178 3.782 3.960 0.001 0.000 0.201 3 G C -0.077 174.818 174.900 -0.009 0.000 1.026 3 G CA -0.194 44.882 45.100 -0.040 0.000 0.687 3 G HN 0.771 nan 8.290 nan 0.000 0.492 4 V N 3.042 122.968 119.914 0.020 0.000 2.521 4 V HA 0.493 4.614 4.120 0.001 0.000 0.286 4 V C 0.553 176.672 176.094 0.042 0.000 1.034 4 V CA 0.753 63.072 62.300 0.032 0.000 1.045 4 V CB 1.126 32.981 31.823 0.054 0.000 0.974 4 V HN 0.376 nan 8.190 nan 0.000 0.480 5 T N 6.264 120.837 114.554 0.031 0.000 2.794 5 T HA 0.479 4.829 4.350 0.001 0.000 0.280 5 T C -0.376 174.353 174.700 0.047 0.000 0.987 5 T CA -0.464 61.658 62.100 0.038 0.000 0.993 5 T CB 1.098 69.983 68.868 0.028 0.000 0.939 5 T HN 0.707 nan 8.240 nan 0.000 0.449 6 Q N 1.964 121.797 119.800 0.056 0.000 2.321 6 Q HA 0.564 4.905 4.340 0.001 0.000 0.270 6 Q C -0.633 175.402 176.000 0.058 0.000 1.032 6 Q CA -0.801 55.047 55.803 0.075 0.000 0.784 6 Q CB 2.208 30.994 28.738 0.080 0.000 1.264 6 Q HN 0.843 nan 8.270 nan 0.000 0.448 7 T N -0.678 113.920 114.554 0.073 0.000 2.907 7 T HA 0.705 5.055 4.350 0.001 0.000 0.292 7 T C -2.809 171.918 174.700 0.045 0.000 1.043 7 T CA -2.450 59.675 62.100 0.042 0.000 1.003 7 T CB 1.943 70.830 68.868 0.032 0.000 1.084 7 T HN 0.160 nan 8.240 nan 0.000 0.483 8 P HA 0.386 nan 4.420 nan 0.000 0.277 8 P C 0.490 177.753 177.300 -0.062 0.000 1.240 8 P CA -0.754 62.339 63.100 -0.011 0.000 0.798 8 P CB 0.845 32.538 31.700 -0.012 0.000 0.979 9 K N 0.191 120.534 120.400 -0.094 0.000 2.148 9 K HA -0.045 4.276 4.320 0.001 0.000 0.204 9 K C 0.437 176.701 176.600 -0.560 0.000 1.050 9 K CA 1.157 57.285 56.287 -0.264 0.000 0.942 9 K CB -0.117 32.267 32.500 -0.193 0.000 0.724 9 K HN 0.628 nan 8.250 nan 0.000 0.446 10 H N -0.781 118.132 119.070 -0.263 0.000 2.806 10 H HA 0.393 4.949 4.556 0.001 0.000 0.367 10 H C -1.061 174.211 175.328 -0.094 0.000 1.136 10 H CA -0.679 55.261 56.048 -0.180 0.000 1.178 10 H CB 2.004 31.560 29.762 -0.344 0.000 1.718 10 H HN -0.090 nan 8.280 nan 0.000 0.540 11 L N 4.020 125.272 121.223 0.048 0.000 2.476 11 L HA 0.435 4.775 4.340 0.001 0.000 0.269 11 L C -0.869 175.949 176.870 -0.088 0.000 0.965 11 L CA -0.494 54.328 54.840 -0.029 0.000 0.845 11 L CB 2.085 44.119 42.059 -0.041 0.000 1.259 11 L HN 0.441 nan 8.230 nan 0.000 0.403 12 I N 2.423 122.911 120.570 -0.136 0.000 2.433 12 I HA 0.630 4.800 4.170 0.001 0.000 0.292 12 I C -0.039 176.049 176.117 -0.048 0.000 1.001 12 I CA -0.220 60.999 61.300 -0.133 0.000 1.119 12 I CB 2.119 40.001 38.000 -0.196 0.000 1.289 12 I HN 0.492 nan 8.210 nan 0.000 0.438 13 T N 3.583 118.132 114.554 -0.008 0.000 2.739 13 T HA 0.749 5.099 4.350 0.001 0.000 0.303 13 T C -1.452 173.275 174.700 0.045 0.000 1.389 13 T CA -0.406 61.704 62.100 0.017 0.000 1.001 13 T CB 1.641 70.507 68.868 -0.002 0.000 1.436 13 T HN 0.652 nan 8.240 nan 0.000 0.500 14 A N 1.472 124.321 122.820 0.049 0.000 2.295 14 A HA 0.694 5.015 4.320 0.001 0.000 0.318 14 A C 0.637 178.252 177.584 0.053 0.000 1.134 14 A CA -0.151 51.923 52.037 0.061 0.000 0.827 14 A CB 0.092 19.128 19.000 0.060 0.000 1.136 14 A HN 1.181 nan 8.150 nan 0.000 0.493 15 T N -0.627 113.963 114.554 0.060 0.000 2.933 15 T HA 0.388 4.739 4.350 0.001 0.000 0.306 15 T C 1.299 176.025 174.700 0.044 0.000 1.045 15 T CA 0.608 62.741 62.100 0.056 0.000 1.143 15 T CB 0.502 69.404 68.868 0.057 0.000 1.003 15 T HN 2.463 nan 8.240 nan 0.000 0.540 16 G N 1.863 110.688 108.800 0.042 0.000 2.217 16 G HA2 -0.215 3.745 3.960 0.001 0.000 0.246 16 G HA3 -0.215 3.745 3.960 0.001 0.000 0.246 16 G C 0.157 175.072 174.900 0.025 0.000 0.990 16 G CA 0.143 45.262 45.100 0.033 0.000 0.627 16 G HN 0.898 nan 8.290 nan 0.000 0.522 17 Q N -0.028 119.786 119.800 0.023 0.000 2.171 17 Q HA 0.664 5.005 4.340 0.001 0.000 0.217 17 Q C 0.503 176.501 176.000 -0.002 0.000 0.995 17 Q CA -0.460 55.349 55.803 0.010 0.000 0.979 17 Q CB 0.906 29.650 28.738 0.010 0.000 1.152 17 Q HN 0.662 nan 8.270 nan 0.000 0.525 18 R N -0.210 120.278 120.500 -0.019 0.000 2.686 18 R HA 0.649 4.989 4.340 0.001 0.000 0.286 18 R C -1.032 175.225 176.300 -0.071 0.000 0.969 18 R CA -0.581 55.493 56.100 -0.044 0.000 0.898 18 R CB 1.452 31.731 30.300 -0.034 0.000 1.183 18 R HN 0.483 nan 8.270 nan 0.000 0.456 19 V N -0.710 119.130 119.914 -0.124 0.000 3.040 19 V HA 0.685 4.805 4.120 0.001 0.000 0.312 19 V C -0.896 175.083 176.094 -0.190 0.000 1.115 19 V CA -0.697 61.515 62.300 -0.145 0.000 0.998 19 V CB 1.997 33.721 31.823 -0.166 0.000 1.042 19 V HN 0.794 nan 8.190 nan 0.000 0.433 20 T N 3.303 117.763 114.554 -0.157 0.000 2.890 20 T HA 0.643 4.994 4.350 0.001 0.000 0.295 20 T C -0.750 173.867 174.700 -0.138 0.000 0.993 20 T CA -0.350 61.654 62.100 -0.158 0.000 0.979 20 T CB 0.332 69.149 68.868 -0.085 0.000 0.967 20 T HN 0.709 nan 8.240 nan 0.000 0.441 21 L N 4.131 125.229 121.223 -0.209 0.000 2.357 21 L HA 0.661 5.002 4.340 0.001 0.000 0.273 21 L C 0.613 177.541 176.870 0.097 0.000 1.080 21 L CA -0.985 53.796 54.840 -0.098 0.000 0.803 21 L CB 1.173 43.103 42.059 -0.214 0.000 1.174 21 L HN 0.347 nan 8.230 nan 0.000 0.443 22 R N 1.375 122.015 120.500 0.235 0.000 2.670 22 R HA 0.600 4.940 4.340 0.001 0.000 0.289 22 R C -1.727 174.792 176.300 0.364 0.000 0.965 22 R CA -0.430 55.859 56.100 0.316 0.000 0.899 22 R CB 2.016 32.424 30.300 0.181 0.000 1.173 22 R HN 0.754 nan 8.270 nan 0.000 0.456 23 c N 2.389 121.203 118.600 0.356 0.000 2.481 23 c HA 0.592 5.162 4.570 0.001 0.000 0.324 23 c C -0.763 173.401 174.090 0.123 0.000 1.170 23 c CA -0.253 56.151 56.329 0.126 0.000 1.361 23 c CB 1.479 43.855 42.510 -0.225 0.000 1.977 23 c HN 0.829 nan 8.230 nan 0.000 0.459 24 S N 7.186 122.931 115.700 0.075 0.000 2.437 24 S HA 0.632 5.102 4.470 0.001 0.000 0.305 24 S C -2.517 172.096 174.600 0.020 0.000 1.109 24 S CA -0.566 57.675 58.200 0.068 0.000 1.099 24 S CB 1.648 64.878 63.200 0.050 0.000 1.004 24 S HN 0.785 nan 8.310 nan 0.000 0.475 25 P HA 0.212 nan 4.420 nan 0.000 0.274 25 P C -0.510 176.787 177.300 -0.005 0.000 1.256 25 P CA -0.660 62.439 63.100 -0.002 0.000 0.795 25 P CB 0.511 32.211 31.700 -0.001 0.000 1.038 26 R N 0.163 120.654 120.500 -0.015 0.000 2.698 26 R HA 0.145 4.485 4.340 0.001 0.000 0.266 26 R C 0.345 176.621 176.300 -0.040 0.000 1.026 26 R CA 0.124 56.196 56.100 -0.047 0.000 1.102 26 R CB -0.395 29.841 30.300 -0.107 0.000 0.978 26 R HN 0.468 nan 8.270 nan 0.000 0.436 27 S N 1.294 116.968 115.700 -0.044 0.000 2.525 27 S HA 0.207 4.677 4.470 0.001 0.000 0.285 27 S C 1.317 175.892 174.600 -0.040 0.000 1.283 27 S CA 0.624 58.803 58.200 -0.035 0.000 1.072 27 S CB 1.012 64.192 63.200 -0.033 0.000 0.867 27 S HN 0.914 nan 8.310 nan 0.000 0.492 28 G N 3.216 111.998 108.800 -0.029 0.000 2.254 28 G HA2 -0.189 3.772 3.960 0.001 0.000 0.225 28 G HA3 -0.189 3.772 3.960 0.001 0.000 0.225 28 G C -0.419 174.473 174.900 -0.013 0.000 1.003 28 G CA -0.264 44.823 45.100 -0.022 0.000 0.622 28 G HN 0.624 nan 8.290 nan 0.000 0.507 29 D N 0.110 120.503 120.400 -0.013 0.000 2.264 29 D HA 0.639 5.279 4.640 0.001 0.000 0.249 29 D C 1.438 177.715 176.300 -0.038 0.000 1.070 29 D CA -0.204 53.801 54.000 0.009 0.000 0.912 29 D CB 1.359 42.184 40.800 0.041 0.000 1.193 29 D HN 0.190 nan 8.370 nan 0.000 0.427 30 L N 0.186 121.357 121.223 -0.087 0.000 2.817 30 L HA 0.106 4.446 4.340 0.001 0.000 0.248 30 L C 0.925 177.622 176.870 -0.289 0.000 1.133 30 L CA -0.007 54.671 54.840 -0.271 0.000 0.935 30 L CB 0.189 41.923 42.059 -0.542 0.000 1.266 30 L HN 0.266 nan 8.230 nan 0.000 0.535 40 Y N 2.147 122.438 120.300 -0.016 0.000 2.393 40 Y HA 0.645 5.196 4.550 0.001 0.000 0.341 40 Y C -0.472 175.463 175.900 0.059 0.000 0.988 40 Y CA -0.378 57.807 58.100 0.142 0.000 1.078 40 Y CB 2.018 40.620 38.460 0.237 0.000 1.203 40 Y HN 0.634 nan 8.280 nan 0.000 0.453 41 W N 2.975 124.480 121.300 0.342 0.000 2.529 41 W HA 0.560 5.220 4.660 0.000 0.000 0.321 41 W C -1.316 175.324 176.519 0.201 0.000 1.047 41 W CA -0.650 56.874 57.345 0.297 0.000 1.216 41 W CB 1.066 30.640 29.460 0.190 0.000 1.357 41 W HN 0.390 nan 8.180 nan 0.000 0.489 42 Y N 1.346 122.035 120.300 0.647 0.000 2.499 42 Y HA 0.337 4.887 4.550 0.001 0.000 0.347 42 Y C -0.107 176.051 175.900 0.431 0.000 0.987 42 Y CA -1.245 57.166 58.100 0.517 0.000 1.044 42 Y CB 2.290 41.064 38.460 0.523 0.000 1.245 42 Y HN 0.279 nan 8.280 nan 0.000 0.461 43 Q N 2.492 122.534 119.800 0.403 0.000 2.316 43 Q HA 0.338 4.678 4.340 0.001 0.000 0.264 43 Q C -1.394 174.680 176.000 0.124 0.000 0.987 43 Q CA -0.848 55.013 55.803 0.096 0.000 0.852 43 Q CB 1.580 30.343 28.738 0.041 0.000 1.287 43 Q HN 0.743 nan 8.270 nan 0.000 0.448 44 Q N 2.599 122.422 119.800 0.039 0.000 2.456 44 Q HA 0.347 4.688 4.340 0.001 0.000 0.252 44 Q C -1.274 174.719 176.000 -0.012 0.000 1.042 44 Q CA -0.303 55.549 55.803 0.082 0.000 0.766 44 Q CB 1.304 30.175 28.738 0.222 0.000 1.196 44 Q HN 0.646 nan 8.270 nan 0.000 0.504 45 S N 2.453 118.152 115.700 -0.002 0.000 2.601 45 S HA 0.283 4.753 4.470 0.001 0.000 0.271 45 S C -0.142 174.471 174.600 0.021 0.000 1.305 45 S CA -0.620 57.581 58.200 0.001 0.000 1.022 45 S CB 0.517 63.732 63.200 0.026 0.000 0.940 45 S HN 0.571 nan 8.310 nan 0.000 0.525 46 L N 3.308 124.548 121.223 0.028 0.000 2.601 46 L HA -0.007 4.333 4.340 0.001 0.000 0.277 46 L C 1.074 177.965 176.870 0.034 0.000 1.219 46 L CA 1.077 55.938 54.840 0.034 0.000 0.915 46 L CB -0.477 41.610 42.059 0.046 0.000 1.160 46 L HN 0.671 nan 8.230 nan 0.000 0.494 47 D N -0.955 119.462 120.400 0.028 0.000 2.653 47 D HA -0.154 4.486 4.640 0.001 0.000 0.184 47 D C 0.214 176.527 176.300 0.022 0.000 0.993 47 D CA 1.420 55.435 54.000 0.025 0.000 1.027 47 D CB -0.229 40.588 40.800 0.029 0.000 1.089 47 D HN 0.709 nan 8.370 nan 0.000 0.447 48 Q N 0.622 120.437 119.800 0.025 0.000 2.297 48 Q HA 0.671 5.011 4.340 0.001 0.000 0.269 48 Q C 0.799 176.814 176.000 0.025 0.000 1.051 48 Q CA -0.509 55.310 55.803 0.027 0.000 0.869 48 Q CB 1.119 29.879 28.738 0.037 0.000 1.346 48 Q HN 0.068 nan 8.270 nan 0.000 0.457 49 G N 0.504 109.319 108.800 0.025 0.000 2.621 49 G HA2 0.338 4.299 3.960 0.001 0.000 0.271 49 G HA3 0.338 4.299 3.960 0.001 0.000 0.271 49 G C -0.225 174.704 174.900 0.050 0.000 1.236 49 G CA -0.731 44.377 45.100 0.014 0.000 0.958 49 G HN 0.354 nan 8.290 nan 0.000 0.512 50 L N 0.632 121.874 121.223 0.031 0.000 2.490 50 L HA 0.183 4.524 4.340 0.001 0.000 0.274 50 L C 0.100 177.138 176.870 0.280 0.000 1.201 50 L CA 0.692 55.611 54.840 0.131 0.000 0.869 50 L CB 0.877 42.913 42.059 -0.039 0.000 1.123 50 L HN 0.432 nan 8.230 nan 0.000 0.484 51 Q N 3.226 123.266 119.800 0.399 0.000 2.337 51 Q HA 0.288 4.629 4.340 0.001 0.000 0.270 51 Q C -0.789 175.425 176.000 0.356 0.000 1.043 51 Q CA -0.628 55.384 55.803 0.348 0.000 0.794 51 Q CB 2.457 31.312 28.738 0.195 0.000 1.281 51 Q HN 0.456 nan 8.270 nan 0.000 0.446 52 F N 3.284 123.258 119.950 0.040 0.000 2.543 52 F HA 0.008 4.535 4.527 0.000 0.000 0.375 52 F C 0.301 176.027 175.800 -0.122 0.000 1.075 52 F CA 0.193 57.975 58.000 -0.363 0.000 1.225 52 F CB 0.505 39.379 39.000 -0.210 0.000 1.099 52 F HN 0.571 nan 8.300 nan 0.000 0.561 53 L N 6.258 127.094 121.223 -0.645 0.000 2.265 53 L HA 0.374 4.714 4.340 0.001 0.000 0.195 53 L C 0.125 176.430 176.870 -0.943 0.000 1.083 53 L CA 0.181 54.717 54.840 -0.508 0.000 0.798 53 L CB 0.248 42.279 42.059 -0.047 0.000 0.989 53 L HN 0.632 nan 8.230 nan 0.000 0.472 54 I N -0.947 119.026 120.570 -0.995 0.000 2.746 54 I HA 0.119 4.289 4.170 0.001 0.000 0.290 54 I C -1.796 174.238 176.117 -0.140 0.000 1.600 54 I CA -0.443 60.505 61.300 -0.587 0.000 1.019 54 I CB 2.266 40.104 38.000 -0.270 0.000 1.426 54 I HN 0.040 nan 8.210 nan 0.000 0.460 55 Q N 5.118 124.826 119.800 -0.154 0.000 2.365 55 Q HA 0.526 4.866 4.340 0.001 0.000 0.269 55 Q C -2.199 173.440 176.000 -0.601 0.000 1.061 55 Q CA -0.575 55.047 55.803 -0.302 0.000 0.816 55 Q CB 2.200 30.733 28.738 -0.343 0.000 1.325 55 Q HN 0.596 nan 8.270 nan 0.000 0.446 56 Y N 1.529 121.757 120.300 -0.120 0.000 2.485 56 Y HA 0.462 5.012 4.550 0.000 0.000 0.345 56 Y C -1.216 174.669 175.900 -0.026 0.000 0.998 56 Y CA -0.799 57.271 58.100 -0.050 0.000 1.059 56 Y CB 1.761 40.199 38.460 -0.037 0.000 1.234 56 Y HN 0.579 nan 8.280 nan 0.000 0.461 57 Y N 2.783 123.114 120.300 0.052 0.000 2.354 57 Y HA 0.313 4.864 4.550 0.001 0.000 0.330 57 Y C 0.184 176.107 175.900 0.038 0.000 1.011 57 Y CA -1.290 56.821 58.100 0.019 0.000 1.099 57 Y CB 1.025 39.478 38.460 -0.013 0.000 1.179 57 Y HN 0.798 nan 8.280 nan 0.000 0.442 58 N N 4.215 122.667 118.700 -0.413 0.000 2.716 58 N HA -0.217 4.523 4.740 0.001 0.000 0.250 58 N C 0.747 176.224 175.510 -0.056 0.000 1.033 58 N CA 1.997 54.889 53.050 -0.263 0.000 0.727 58 N CB -1.080 37.236 38.487 -0.286 0.000 0.950 58 N HN 1.517 nan 8.380 nan 0.000 0.541 59 G N -1.283 107.497 108.800 -0.033 0.000 2.194 59 G HA2 -0.280 3.680 3.960 0.001 0.000 0.236 59 G HA3 -0.280 3.680 3.960 0.001 0.000 0.236 59 G C -0.283 174.626 174.900 0.014 0.000 0.987 59 G CA 0.578 45.654 45.100 -0.040 0.000 0.635 59 G HN 0.865 nan 8.290 nan 0.000 0.520 60 E N 0.278 120.545 120.200 0.112 0.000 2.277 60 E HA 0.718 5.068 4.350 0.001 0.000 0.266 60 E C 0.035 176.777 176.600 0.236 0.000 0.901 60 E CA -0.942 55.544 56.400 0.144 0.000 0.782 60 E CB 1.955 31.713 29.700 0.095 0.000 1.228 60 E HN 0.272 nan 8.360 nan 0.000 0.424 67 A N 0.443 123.224 122.820 -0.065 0.000 2.567 67 A HA 0.643 4.964 4.320 0.001 0.000 0.291 67 A C -1.906 175.727 177.584 0.082 0.000 1.048 67 A CA -0.457 51.617 52.037 0.062 0.000 0.661 67 A CB 1.056 20.146 19.000 0.149 0.000 1.288 67 A HN 0.163 nan 8.150 nan 0.000 0.424 68 K N 0.383 120.849 120.400 0.110 0.000 2.557 68 K HA 0.728 5.048 4.320 0.001 0.000 0.261 68 K C -0.238 176.381 176.600 0.031 0.000 0.932 68 K CA -0.390 55.825 56.287 -0.119 0.000 0.829 68 K CB 1.882 34.289 32.500 -0.155 0.000 1.358 68 K HN 2.605 nan 8.250 nan 0.000 0.430 69 G N 1.732 110.490 108.800 -0.069 0.000 3.233 69 G HA2 -0.140 3.820 3.960 0.001 0.000 0.686 69 G HA3 -0.140 3.820 3.960 0.001 0.000 0.686 69 G C -0.973 173.826 174.900 -0.168 0.000 1.153 69 G CA -0.906 43.919 45.100 -0.458 0.000 0.853 69 G HN 0.702 nan 8.290 nan 0.000 0.582 70 N N 0.877 119.508 118.700 -0.115 0.000 2.466 70 N HA 0.066 4.806 4.740 0.001 0.000 0.251 70 N C 1.001 176.462 175.510 -0.082 0.000 1.164 70 N CA -0.214 52.799 53.050 -0.061 0.000 0.888 70 N CB 0.528 39.008 38.487 -0.012 0.000 1.177 70 N HN 0.661 nan 8.380 nan 0.000 0.498 71 I N 1.557 122.063 120.570 -0.108 0.000 2.683 71 I HA -0.087 4.083 4.170 0.001 0.000 0.286 71 I C 0.284 176.315 176.117 -0.143 0.000 1.175 71 I CA -0.371 60.886 61.300 -0.072 0.000 1.429 71 I CB 0.530 38.506 38.000 -0.041 0.000 1.371 71 I HN -0.100 nan 8.210 nan 0.000 0.569 75 R N 0.353 120.817 120.500 -0.061 0.000 2.307 75 R HA 0.167 4.507 4.340 0.001 0.000 0.199 75 R C 0.207 176.665 176.300 0.264 0.000 1.000 75 R CA 0.324 56.454 56.100 0.050 0.000 1.023 75 R CB -0.096 30.226 30.300 0.037 0.000 0.908 75 R HN -0.198 nan 8.270 nan 0.000 0.473 76 F N 1.900 121.813 119.950 -0.062 0.000 2.399 76 F HA 0.437 4.964 4.527 0.000 0.000 0.334 76 F C 0.660 176.404 175.800 -0.093 0.000 1.097 76 F CA -1.903 56.041 58.000 -0.095 0.000 1.076 76 F CB 1.675 40.617 39.000 -0.097 0.000 1.162 76 F HN 0.059 nan 8.300 nan 0.000 0.495 77 S N 0.903 116.636 115.700 0.054 0.000 2.618 77 S HA 0.994 5.464 4.470 0.001 0.000 0.277 77 S C -1.123 173.431 174.600 -0.075 0.000 1.138 77 S CA -0.669 57.532 58.200 0.002 0.000 0.844 77 S CB 2.263 65.459 63.200 -0.006 0.000 1.127 77 S HN 1.031 nan 8.310 nan 0.000 0.474 78 A N 0.747 123.559 122.820 -0.014 0.000 2.609 78 A HA 0.867 5.187 4.320 0.001 0.000 0.291 78 A C -1.678 175.817 177.584 -0.149 0.000 1.096 78 A CA -0.936 51.063 52.037 -0.064 0.000 0.684 78 A CB 1.599 20.626 19.000 0.045 0.000 1.282 78 A HN 0.902 nan 8.150 nan 0.000 0.412 79 Q N -0.129 119.376 119.800 -0.491 0.000 2.462 79 Q HA 0.595 4.935 4.340 0.001 0.000 0.285 79 Q C -1.257 174.079 176.000 -1.107 0.000 1.035 79 Q CA -0.685 54.597 55.803 -0.868 0.000 0.799 79 Q CB 2.375 30.619 28.738 -0.825 0.000 1.452 79 Q HN 0.713 nan 8.270 nan 0.000 0.404 80 Q N 1.317 120.449 119.800 -1.112 0.000 2.322 80 Q HA 0.489 4.830 4.340 0.001 0.000 0.265 80 Q C -1.461 174.169 176.000 -0.617 0.000 0.985 80 Q CA -0.400 54.986 55.803 -0.695 0.000 0.849 80 Q CB 0.947 29.441 28.738 -0.407 0.000 1.274 80 Q HN 0.506 nan 8.270 nan 0.000 0.449 84 D N 1.577 122.062 120.400 0.143 0.000 2.324 84 D HA 0.101 4.741 4.640 0.001 0.000 0.235 84 D C 1.120 177.494 176.300 0.123 0.000 1.095 84 D CA 0.229 54.303 54.000 0.123 0.000 0.871 84 D CB -0.272 40.611 40.800 0.137 0.000 0.906 84 D HN 0.334 nan 8.370 nan 0.000 0.522 85 L N -1.532 119.745 121.223 0.091 0.000 4.610 85 L HA -0.272 4.068 4.340 0.001 0.000 0.397 85 L C 0.810 177.725 176.870 0.074 0.000 0.806 85 L CA 1.084 55.945 54.840 0.035 0.000 2.169 85 L CB -2.221 39.836 42.059 -0.002 0.000 1.402 85 L HN 0.554 nan 8.230 nan 0.000 0.603 86 H N 1.000 120.122 119.070 0.085 0.000 2.771 86 H HA 0.523 5.080 4.556 0.001 0.000 0.364 86 H C -0.165 175.289 175.328 0.211 0.000 1.133 86 H CA 0.877 56.993 56.048 0.114 0.000 1.423 86 H CB 1.623 31.435 29.762 0.083 0.000 1.425 86 H HN 0.116 nan 8.280 nan 0.000 0.606 87 S N 1.479 117.237 115.700 0.097 0.000 2.570 87 S HA 0.393 4.863 4.470 0.001 0.000 0.286 87 S C -1.245 173.568 174.600 0.355 0.000 1.099 87 S CA -0.822 57.440 58.200 0.102 0.000 0.913 87 S CB 1.594 64.904 63.200 0.183 0.000 1.085 87 S HN 0.798 nan 8.310 nan 0.000 0.480 88 E N 1.445 121.794 120.200 0.249 0.000 2.248 88 E HA 0.492 4.842 4.350 0.001 0.000 0.267 88 E C -1.617 174.902 176.600 -0.135 0.000 0.877 88 E CA -0.756 55.754 56.400 0.183 0.000 0.759 88 E CB 2.173 31.999 29.700 0.210 0.000 1.182 88 E HN 0.411 nan 8.360 nan 0.000 0.418 89 L N 3.596 124.511 121.223 -0.513 0.000 2.298 89 L HA 0.402 4.742 4.340 0.001 0.000 0.284 89 L C -1.256 175.277 176.870 -0.561 0.000 1.013 89 L CA -0.385 53.948 54.840 -0.844 0.000 0.824 89 L CB 0.864 41.887 42.059 -1.727 0.000 1.221 89 L HN 0.408 nan 8.230 nan 0.000 0.418 90 N N 6.544 125.006 118.700 -0.397 0.000 2.421 90 N HA 0.477 5.218 4.740 0.001 0.000 0.285 90 N C -1.270 174.016 175.510 -0.374 0.000 1.027 90 N CA -0.316 52.551 53.050 -0.304 0.000 0.918 90 N CB 2.089 40.483 38.487 -0.156 0.000 1.152 90 N HN 0.527 nan 8.380 nan 0.000 0.485 91 L N 1.318 122.287 121.223 -0.423 0.000 2.316 91 L HA 0.406 4.746 4.340 0.001 0.000 0.280 91 L C 0.218 177.013 176.870 -0.125 0.000 1.006 91 L CA -0.530 54.030 54.840 -0.467 0.000 0.836 91 L CB 1.426 42.977 42.059 -0.847 0.000 1.221 91 L HN 0.282 nan 8.230 nan 0.000 0.418 92 S N 0.470 116.206 115.700 0.060 0.000 2.690 92 S HA 0.391 4.861 4.470 0.001 0.000 0.291 92 S C 0.414 175.072 174.600 0.097 0.000 1.138 92 S CA -0.557 57.677 58.200 0.057 0.000 1.013 92 S CB 1.592 64.824 63.200 0.053 0.000 1.053 92 S HN 0.690 nan 8.310 nan 0.000 0.539 93 S N 0.632 116.366 115.700 0.057 0.000 3.524 93 S HA -0.151 4.320 4.470 0.001 0.000 0.377 93 S C 0.020 174.666 174.600 0.076 0.000 0.949 93 S CA 0.038 58.272 58.200 0.055 0.000 1.264 93 S CB -1.672 61.556 63.200 0.047 0.000 0.918 93 S HN 0.541 nan 8.310 nan 0.000 0.517 94 L N 1.171 122.436 121.223 0.070 0.000 2.490 94 L HA 0.147 4.487 4.340 0.001 0.000 0.274 94 L C 1.029 177.951 176.870 0.086 0.000 1.201 94 L CA 0.715 55.608 54.840 0.090 0.000 0.869 94 L CB 0.275 42.367 42.059 0.056 0.000 1.123 94 L HN 0.423 nan 8.230 nan 0.000 0.484 95 E N 2.179 122.443 120.200 0.107 0.000 2.249 95 E HA 0.267 4.617 4.350 0.001 0.000 0.263 95 E C 0.661 177.324 176.600 0.104 0.000 0.950 95 E CA -0.852 55.602 56.400 0.092 0.000 0.827 95 E CB 1.617 31.365 29.700 0.081 0.000 1.220 95 E HN 0.455 nan 8.360 nan 0.000 0.411 96 L N 0.721 122.000 121.223 0.094 0.000 2.079 96 L HA -0.138 4.202 4.340 0.001 0.000 0.210 96 L C 2.115 179.052 176.870 0.112 0.000 1.081 96 L CA 1.533 56.435 54.840 0.103 0.000 0.752 96 L CB -0.563 41.554 42.059 0.096 0.000 0.896 96 L HN 0.777 nan 8.230 nan 0.000 0.433 97 G N -0.912 107.951 108.800 0.105 0.000 2.625 97 G HA2 -0.180 3.780 3.960 0.001 0.000 0.214 97 G HA3 -0.180 3.780 3.960 0.001 0.000 0.214 97 G C 0.952 175.941 174.900 0.149 0.000 1.132 97 G CA 0.360 45.524 45.100 0.108 0.000 0.782 97 G HN 0.320 nan 8.290 nan 0.000 0.538 98 D N 0.502 121.014 120.400 0.187 0.000 2.355 98 D HA 0.035 4.676 4.640 0.001 0.000 0.218 98 D C 1.086 177.552 176.300 0.277 0.000 1.004 98 D CA 0.191 54.361 54.000 0.284 0.000 0.880 98 D CB 0.136 41.114 40.800 0.297 0.000 0.911 98 D HN 0.092 nan 8.370 nan 0.000 0.528 99 S N 0.686 116.500 115.700 0.190 0.000 2.546 99 S HA 0.423 4.893 4.470 0.001 0.000 0.290 99 S C 0.360 175.039 174.600 0.132 0.000 1.262 99 S CA -0.142 58.159 58.200 0.169 0.000 1.083 99 S CB 0.803 64.085 63.200 0.138 0.000 0.859 99 S HN 0.369 nan 8.310 nan 0.000 0.495 100 A N 2.657 125.550 122.820 0.121 0.000 2.452 100 A HA 0.550 4.870 4.320 0.001 0.000 0.294 100 A C -2.032 175.492 177.584 -0.100 0.000 1.010 100 A CA -0.792 51.218 52.037 -0.045 0.000 0.613 100 A CB 0.366 19.229 19.000 -0.227 0.000 1.363 100 A HN 0.537 nan 8.150 nan 0.000 0.463 101 L N 0.885 121.978 121.223 -0.216 0.000 2.275 101 L HA 0.686 5.026 4.340 0.001 0.000 0.288 101 L C -1.411 175.189 176.870 -0.450 0.000 1.046 101 L CA -0.255 54.414 54.840 -0.285 0.000 0.805 101 L CB 0.394 42.317 42.059 -0.227 0.000 1.193 101 L HN 0.542 nan 8.230 nan 0.000 0.426 102 Y N 5.065 125.217 120.300 -0.245 0.000 2.334 102 Y HA 0.487 5.037 4.550 0.001 0.000 0.336 102 Y C -0.513 175.352 175.900 -0.057 0.000 0.960 102 Y CA -0.267 57.832 58.100 -0.001 0.000 1.164 102 Y CB 0.969 39.461 38.460 0.054 0.000 1.155 102 Y HN 0.378 nan 8.280 nan 0.000 0.478 103 F N 2.696 122.920 119.950 0.457 0.000 2.450 103 F HA 0.615 5.142 4.527 0.001 0.000 0.332 103 F C 0.219 176.269 175.800 0.416 0.000 1.093 103 F CA -1.072 57.175 58.000 0.412 0.000 1.003 103 F CB 1.171 40.402 39.000 0.384 0.000 1.151 103 F HN 0.509 nan 8.300 nan 0.000 0.474 104 c N 1.166 119.937 118.600 0.285 0.000 2.529 104 c HA 1.009 5.579 4.570 0.001 0.000 0.329 104 c C -0.434 173.635 174.090 -0.034 0.000 1.194 104 c CA -0.743 55.508 56.329 -0.130 0.000 1.779 104 c CB 0.634 42.575 42.510 -0.947 0.000 2.322 104 c HN 1.104 nan 8.230 nan 0.000 0.500 105 A N 1.984 124.711 122.820 -0.156 0.000 2.498 105 A HA 0.935 5.255 4.320 0.001 0.000 0.298 105 A C -0.284 177.253 177.584 -0.079 0.000 1.075 105 A CA -0.053 51.767 52.037 -0.361 0.000 0.714 105 A CB 1.476 19.772 19.000 -1.172 0.000 1.299 105 A HN 2.009 nan 8.150 nan 0.000 0.407 106 S N 0.537 116.216 115.700 -0.036 0.000 2.532 106 S HA 0.777 5.248 4.470 0.001 0.000 0.301 106 S C -0.031 174.644 174.600 0.125 0.000 1.083 106 S CA 0.019 58.282 58.200 0.104 0.000 1.025 106 S CB 1.425 64.666 63.200 0.069 0.000 1.056 106 S HN 1.762 nan 8.310 nan 0.000 0.494 107 S N 1.506 117.333 115.700 0.212 0.000 2.578 107 S HA 0.809 5.280 4.470 0.001 0.000 0.283 107 S C 0.126 174.844 174.600 0.198 0.000 1.195 107 S CA -0.694 57.600 58.200 0.157 0.000 1.050 107 S CB 1.008 64.335 63.200 0.213 0.000 1.012 107 S HN 1.342 nan 8.310 nan 0.000 0.511 108 A N 2.094 125.038 122.820 0.206 0.000 2.264 108 A HA 0.558 4.878 4.320 0.001 0.000 0.304 108 A C 1.200 178.869 177.584 0.141 0.000 1.100 108 A CA -0.902 51.261 52.037 0.209 0.000 0.839 108 A CB 0.331 19.529 19.000 0.330 0.000 1.121 108 A HN 0.987 nan 8.150 nan 0.000 0.496 109 R N 0.308 120.879 120.500 0.118 0.000 2.105 109 R HA -0.140 4.200 4.340 0.001 0.000 0.239 109 R C 2.106 178.449 176.300 0.071 0.000 1.135 109 R CA 1.896 58.053 56.100 0.095 0.000 0.967 109 R CB -0.250 30.097 30.300 0.077 0.000 0.861 109 R HN 0.855 nan 8.270 nan 0.000 0.442 110 S N -1.286 114.457 115.700 0.073 0.000 2.603 110 S HA 0.081 4.552 4.470 0.001 0.000 0.229 110 S C 1.424 176.038 174.600 0.025 0.000 0.972 110 S CA 0.581 58.810 58.200 0.048 0.000 0.935 110 S CB 0.577 63.810 63.200 0.055 0.000 0.769 110 S HN 0.556 nan 8.310 nan 0.000 0.536 111 G N 0.356 109.173 108.800 0.027 0.000 2.238 111 G HA2 -0.217 3.743 3.960 0.001 0.000 0.217 111 G HA3 -0.217 3.743 3.960 0.001 0.000 0.217 111 G C -0.289 174.563 174.900 -0.081 0.000 0.996 111 G CA -0.191 44.898 45.100 -0.017 0.000 0.632 111 G HN 0.568 nan 8.290 nan 0.000 0.503 112 E N 1.029 121.165 120.200 -0.106 0.000 2.384 112 E HA 0.523 4.873 4.350 0.001 0.000 0.266 112 E C 0.752 177.117 176.600 -0.391 0.000 1.012 112 E CA 0.004 56.224 56.400 -0.300 0.000 0.901 112 E CB 0.802 30.215 29.700 -0.478 0.000 0.967 112 E HN 0.387 nan 8.360 nan 0.000 0.435 113 L N 3.761 124.706 121.223 -0.463 0.000 2.305 113 L HA 0.348 4.688 4.340 0.001 0.000 0.281 113 L C -0.483 176.003 176.870 -0.640 0.000 1.085 113 L CA -0.362 54.171 54.840 -0.512 0.000 0.813 113 L CB 0.209 41.893 42.059 -0.625 0.000 1.157 113 L HN 0.457 nan 8.230 nan 0.000 0.436 114 F N 2.392 122.192 119.950 -0.250 0.000 2.444 114 F HA 0.463 4.990 4.527 0.000 0.000 0.342 114 F C 0.017 175.693 175.800 -0.207 0.000 1.121 114 F CA -0.373 57.558 58.000 -0.115 0.000 0.997 114 F CB 1.266 40.234 39.000 -0.054 0.000 1.130 114 F HN 0.157 nan 8.300 nan 0.000 0.454 115 F N 1.086 121.088 119.950 0.087 0.000 2.399 115 F HA 0.645 5.173 4.527 0.001 0.000 0.328 115 F C 1.034 176.902 175.800 0.114 0.000 1.084 115 F CA -0.648 57.386 58.000 0.056 0.000 1.053 115 F CB 1.012 39.970 39.000 -0.070 0.000 1.209 115 F HN 0.533 nan 8.300 nan 0.000 0.502 116 G N 0.496 109.494 108.800 0.331 0.000 2.588 116 G HA2 0.151 4.112 3.960 0.001 0.000 0.278 116 G HA3 0.151 4.112 3.960 0.001 0.000 0.278 116 G C 0.437 175.537 174.900 0.333 0.000 1.307 116 G CA -0.345 44.909 45.100 0.256 0.000 1.016 116 G HN 0.589 nan 8.290 nan 0.000 0.503 117 E N -0.315 120.013 120.200 0.213 0.000 2.442 117 E HA 0.216 4.566 4.350 0.001 0.000 0.195 117 E C 1.294 177.966 176.600 0.120 0.000 1.030 117 E CA 0.869 57.382 56.400 0.188 0.000 0.869 117 E CB 0.252 30.008 29.700 0.093 0.000 0.857 117 E HN 0.980 nan 8.360 nan 0.000 0.505 118 G N 0.547 109.353 108.800 0.010 0.000 2.663 118 G HA2 -0.148 3.812 3.960 0.001 0.000 0.686 118 G HA3 -0.148 3.812 3.960 0.001 0.000 0.686 118 G C -0.560 174.179 174.900 -0.268 0.000 1.246 118 G CA -0.419 44.448 45.100 -0.390 0.000 0.795 118 G HN 0.041 nan 8.290 nan 0.000 0.627 119 S N 0.173 115.723 115.700 -0.250 0.000 2.552 119 S HA 0.602 5.073 4.470 0.001 0.000 0.314 119 S C 0.270 174.775 174.600 -0.159 0.000 1.099 119 S CA -0.710 57.388 58.200 -0.170 0.000 1.070 119 S CB 1.706 64.889 63.200 -0.028 0.000 0.998 119 S HN 0.769 nan 8.310 nan 0.000 0.474 120 R N 2.911 123.260 120.500 -0.251 0.000 2.202 120 R HA 0.427 4.767 4.340 0.001 0.000 0.334 120 R C -1.122 175.223 176.300 0.076 0.000 1.036 120 R CA -0.608 55.422 56.100 -0.117 0.000 0.878 120 R CB 0.299 30.457 30.300 -0.235 0.000 1.067 120 R HN 0.507 nan 8.270 nan 0.000 0.457 121 L N 4.017 125.334 121.223 0.156 0.000 2.282 121 L HA 0.414 4.755 4.340 0.001 0.000 0.288 121 L C -1.027 175.954 176.870 0.186 0.000 1.033 121 L CA 0.242 55.176 54.840 0.156 0.000 0.807 121 L CB 2.083 44.227 42.059 0.141 0.000 1.209 121 L HN 0.570 nan 8.230 nan 0.000 0.423 122 T N 4.784 119.429 114.554 0.152 0.000 2.786 122 T HA 0.563 4.913 4.350 0.001 0.000 0.283 122 T C -0.617 174.126 174.700 0.073 0.000 0.992 122 T CA -0.397 61.779 62.100 0.128 0.000 0.954 122 T CB 1.312 70.261 68.868 0.135 0.000 0.934 122 T HN 0.351 nan 8.240 nan 0.000 0.440 123 V N 5.369 125.342 119.914 0.098 0.000 2.427 123 V HA 0.549 4.670 4.120 0.001 0.000 0.286 123 V C -0.191 175.969 176.094 0.110 0.000 1.034 123 V CA -0.807 61.547 62.300 0.089 0.000 0.893 123 V CB 1.112 32.991 31.823 0.093 0.000 0.982 123 V HN 0.709 nan 8.190 nan 0.000 0.452 124 L N 2.616 123.907 121.223 0.113 0.000 2.354 124 L HA 0.524 4.865 4.340 0.001 0.000 0.269 124 L C 1.299 178.242 176.870 0.122 0.000 1.005 124 L CA -0.493 54.437 54.840 0.149 0.000 0.819 124 L CB 2.244 44.422 42.059 0.199 0.000 1.311 124 L HN 0.616 nan 8.230 nan 0.000 0.423 125 E N 0.826 121.097 120.200 0.119 0.000 2.209 125 E HA -0.170 4.180 4.350 0.001 0.000 0.196 125 E C -0.335 176.311 176.600 0.078 0.000 0.993 125 E CA 1.273 57.725 56.400 0.087 0.000 0.819 125 E CB 0.387 30.133 29.700 0.076 0.000 0.745 125 E HN 0.765 nan 8.360 nan 0.000 0.477 126 D N -2.708 117.750 120.400 0.096 0.000 2.713 126 D HA 0.016 4.657 4.640 0.001 0.000 0.306 126 D C 0.186 176.568 176.300 0.135 0.000 1.299 126 D CA -0.584 53.470 54.000 0.090 0.000 0.823 126 D CB 0.222 41.051 40.800 0.049 0.000 1.353 126 D HN -0.016 nan 8.370 nan 0.000 0.447 127 L N 0.063 121.375 121.223 0.148 0.000 2.640 127 L HA 0.171 4.511 4.340 0.001 0.000 0.230 127 L C 2.151 179.211 176.870 0.317 0.000 1.123 127 L CA -0.134 54.855 54.840 0.249 0.000 0.900 127 L CB -0.165 42.067 42.059 0.287 0.000 1.146 127 L HN 0.454 nan 8.230 nan 0.000 0.484 128 K N 0.520 120.993 120.400 0.123 0.000 2.362 128 K HA -0.109 4.211 4.320 0.001 0.000 0.200 128 K C 1.225 177.866 176.600 0.068 0.000 1.046 128 K CA 1.389 57.668 56.287 -0.013 0.000 0.952 128 K CB -0.178 32.239 32.500 -0.138 0.000 0.753 128 K HN 0.299 nan 8.250 nan 0.000 0.466 129 N N 0.894 119.675 118.700 0.135 0.000 2.322 129 N HA 0.004 4.745 4.740 0.001 0.000 0.194 129 N C -0.339 175.365 175.510 0.323 0.000 1.126 129 N CA -0.164 52.982 53.050 0.160 0.000 0.845 129 N CB 0.164 38.648 38.487 -0.005 0.000 0.976 129 N HN -0.032 nan 8.380 nan 0.000 0.475 130 V N 1.525 121.618 119.914 0.300 0.000 2.488 130 V HA 0.268 4.388 4.120 0.001 0.000 0.277 130 V C -0.638 175.507 176.094 0.086 0.000 1.046 130 V CA -0.103 62.428 62.300 0.385 0.000 0.986 130 V CB -0.429 31.566 31.823 0.288 0.000 0.989 130 V HN 0.036 nan 8.190 nan 0.000 0.475 131 F N 6.403 126.538 119.950 0.308 0.000 2.561 131 F HA 0.543 5.071 4.527 0.001 0.000 0.313 131 F C -2.184 173.431 175.800 -0.308 0.000 1.126 131 F CA -2.208 55.832 58.000 0.066 0.000 0.918 131 F CB 2.717 41.775 39.000 0.097 0.000 1.199 131 F HN 0.326 nan 8.300 nan 0.000 0.444 132 P HA 0.233 nan 4.420 nan 0.000 0.274 132 P C -2.815 174.241 177.300 -0.405 0.000 1.246 132 P CA -1.654 60.783 63.100 -1.105 0.000 0.795 132 P CB 0.485 31.832 31.700 -0.589 0.000 1.006 133 P HA 0.296 nan 4.420 nan 0.000 0.281 133 P C -0.519 176.767 177.300 -0.023 0.000 1.249 133 P CA -0.171 62.923 63.100 -0.010 0.000 0.810 133 P CB 0.992 32.665 31.700 -0.045 0.000 1.008 134 E N -0.012 120.212 120.200 0.040 0.000 2.231 134 E HA 0.409 4.759 4.350 0.001 0.000 0.277 134 E C -0.485 176.136 176.600 0.036 0.000 0.999 134 E CA -1.021 55.391 56.400 0.020 0.000 0.827 134 E CB 1.718 31.434 29.700 0.026 0.000 1.101 134 E HN 0.286 nan 8.360 nan 0.000 0.393 135 V N -0.237 119.679 119.914 0.002 0.000 2.680 135 V HA 0.929 5.049 4.120 0.001 0.000 0.309 135 V C -1.137 174.951 176.094 -0.010 0.000 1.052 135 V CA -0.501 61.800 62.300 0.001 0.000 0.908 135 V CB 1.544 33.334 31.823 -0.054 0.000 1.001 135 V HN 0.719 nan 8.190 nan 0.000 0.431 136 A N 4.373 127.205 122.820 0.020 0.000 2.449 136 A HA 0.871 5.191 4.320 0.001 0.000 0.302 136 A C -1.123 176.436 177.584 -0.042 0.000 1.048 136 A CA -0.616 51.374 52.037 -0.079 0.000 0.708 136 A CB 2.121 21.030 19.000 -0.152 0.000 1.274 136 A HN 1.417 nan 8.150 nan 0.000 0.410 137 V N 1.878 121.704 119.914 -0.146 0.000 2.435 137 V HA 0.530 4.651 4.120 0.001 0.000 0.290 137 V C -1.175 174.822 176.094 -0.162 0.000 1.030 137 V CA -0.215 62.095 62.300 0.017 0.000 0.881 137 V CB 1.093 32.968 31.823 0.087 0.000 0.983 137 V HN 0.683 nan 8.190 nan 0.000 0.445 138 F N 2.426 122.416 119.950 0.067 0.000 2.402 138 F HA 0.450 4.977 4.527 0.001 0.000 0.355 138 F C 0.825 176.589 175.800 -0.060 0.000 1.123 138 F CA -0.694 57.316 58.000 0.017 0.000 1.021 138 F CB 1.057 40.064 39.000 0.010 0.000 1.160 138 F HN 0.491 nan 8.300 nan 0.000 0.451 139 E N 4.019 124.240 120.200 0.035 0.000 2.418 139 E HA 0.120 4.470 4.350 0.001 0.000 0.261 139 E C -2.182 174.254 176.600 -0.274 0.000 1.070 139 E CA -1.588 54.711 56.400 -0.167 0.000 0.931 139 E CB 0.094 29.813 29.700 0.031 0.000 0.954 139 E HN 0.257 nan 8.360 nan 0.000 0.439 140 P HA -0.038 nan 4.420 nan 0.000 0.271 140 P C -0.619 176.532 177.300 -0.248 0.000 1.218 140 P CA -0.085 62.706 63.100 -0.514 0.000 0.780 140 P CB 0.692 31.861 31.700 -0.885 0.000 0.901 141 S N 1.440 117.049 115.700 -0.152 0.000 2.516 141 S HA -0.010 4.461 4.470 0.001 0.000 0.282 141 S C 1.369 175.950 174.600 -0.032 0.000 1.286 141 S CA -0.173 57.989 58.200 -0.063 0.000 1.066 141 S CB 0.062 63.231 63.200 -0.052 0.000 0.884 141 S HN 0.343 nan 8.310 nan 0.000 0.491 142 E N 4.448 124.656 120.200 0.014 0.000 2.160 142 E HA -0.069 4.281 4.350 0.001 0.000 0.195 142 E C 1.969 178.592 176.600 0.039 0.000 0.991 142 E CA 1.715 58.143 56.400 0.047 0.000 0.810 142 E CB -0.426 29.311 29.700 0.062 0.000 0.742 142 E HN 0.805 nan 8.360 nan 0.000 0.466 143 A N 0.269 123.102 122.820 0.022 0.000 1.968 143 A HA -0.137 4.183 4.320 0.001 0.000 0.217 143 A C 2.141 179.749 177.584 0.040 0.000 1.169 143 A CA 1.419 53.469 52.037 0.022 0.000 0.638 143 A CB -0.422 18.575 19.000 -0.005 0.000 0.812 143 A HN 0.343 nan 8.150 nan 0.000 0.446 144 E N -0.019 120.192 120.200 0.020 0.000 2.072 144 E HA -0.142 4.208 4.350 0.001 0.000 0.190 144 E C 1.837 178.467 176.600 0.049 0.000 0.982 144 E CA 1.052 57.473 56.400 0.035 0.000 0.803 144 E CB -0.195 29.493 29.700 -0.020 0.000 0.755 144 E HN 0.627 nan 8.360 nan 0.000 0.453 145 I N 0.804 121.392 120.570 0.031 0.000 2.208 145 I HA -0.281 3.890 4.170 0.001 0.000 0.245 145 I C 2.509 178.665 176.117 0.065 0.000 1.097 145 I CA 1.129 62.459 61.300 0.051 0.000 1.363 145 I CB -0.117 37.931 38.000 0.081 0.000 1.051 145 I HN 0.060 nan 8.210 nan 0.000 0.413 146 S N -1.078 114.667 115.700 0.075 0.000 2.406 146 S HA -0.217 4.253 4.470 0.001 0.000 0.228 146 S C 1.933 176.591 174.600 0.098 0.000 1.020 146 S CA 1.119 59.366 58.200 0.078 0.000 0.965 146 S CB -0.304 62.941 63.200 0.075 0.000 0.798 146 S HN 0.510 nan 8.310 nan 0.000 0.488 147 H N 1.116 120.190 119.070 0.006 0.000 2.415 147 H HA 0.037 4.593 4.556 0.001 0.000 0.297 147 H C 2.146 177.475 175.328 0.001 0.000 1.048 147 H CA 1.932 57.981 56.048 0.002 0.000 1.365 147 H CB 0.031 29.791 29.762 -0.004 0.000 1.421 147 H HN 0.445 nan 8.280 nan 0.000 0.533 148 T N -3.238 111.292 114.554 -0.040 0.000 2.975 148 T HA 0.077 4.428 4.350 0.001 0.000 0.257 148 T C 0.437 175.111 174.700 -0.044 0.000 1.003 148 T CA 0.267 62.313 62.100 -0.090 0.000 0.932 148 T CB 0.454 69.304 68.868 -0.030 0.000 1.087 148 T HN 0.288 nan 8.240 nan 0.000 0.512 149 Q N 0.041 119.837 119.800 -0.007 0.000 2.406 149 Q HA -0.168 4.173 4.340 0.001 0.000 0.236 149 Q C -0.380 175.637 176.000 0.028 0.000 0.799 149 Q CA 1.285 57.099 55.803 0.019 0.000 1.286 149 Q CB -2.593 26.152 28.738 0.013 0.000 1.615 149 Q HN 0.674 nan 8.270 nan 0.000 0.621 150 K N -0.128 120.279 120.400 0.011 0.000 2.280 150 K HA 0.893 5.214 4.320 0.001 0.000 0.234 150 K C -0.633 175.953 176.600 -0.024 0.000 1.028 150 K CA -0.248 56.038 56.287 -0.001 0.000 0.882 150 K CB 1.898 34.382 32.500 -0.026 0.000 1.194 150 K HN 0.167 nan 8.250 nan 0.000 0.458 151 A N 0.888 123.663 122.820 -0.075 0.000 2.456 151 A HA 0.424 4.744 4.320 0.001 0.000 0.288 151 A C -1.239 176.177 177.584 -0.280 0.000 1.042 151 A CA -0.664 51.255 52.037 -0.196 0.000 0.738 151 A CB 1.283 20.148 19.000 -0.224 0.000 1.266 151 A HN 0.488 nan 8.150 nan 0.000 0.407 152 T N 3.293 117.670 114.554 -0.296 0.000 2.758 152 T HA 0.554 4.904 4.350 0.001 0.000 0.285 152 T C -0.274 174.215 174.700 -0.352 0.000 0.981 152 T CA -0.169 61.757 62.100 -0.290 0.000 0.965 152 T CB 0.497 69.253 68.868 -0.186 0.000 0.927 152 T HN 0.410 nan 8.240 nan 0.000 0.448 153 L N 3.303 124.276 121.223 -0.417 0.000 2.334 153 L HA 0.581 4.921 4.340 0.001 0.000 0.277 153 L C -0.009 176.819 176.870 -0.069 0.000 1.075 153 L CA -0.575 54.086 54.840 -0.300 0.000 0.804 153 L CB 1.094 42.941 42.059 -0.355 0.000 1.174 153 L HN 0.344 nan 8.230 nan 0.000 0.438 154 V N 1.344 121.347 119.914 0.149 0.000 2.513 154 V HA 0.357 4.477 4.120 0.001 0.000 0.299 154 V C -0.440 175.953 176.094 0.498 0.000 1.035 154 V CA -0.663 61.806 62.300 0.281 0.000 0.889 154 V CB 1.812 33.695 31.823 0.100 0.000 0.988 154 V HN 0.903 nan 8.190 nan 0.000 0.440 155 c N 6.624 125.532 118.600 0.515 0.000 2.329 155 c HA 0.778 5.348 4.570 0.001 0.000 0.329 155 c C -0.539 173.678 174.090 0.213 0.000 1.275 155 c CA -0.516 55.971 56.329 0.263 0.000 1.726 155 c CB 0.267 42.707 42.510 -0.118 0.000 2.291 155 c HN 0.773 nan 8.230 nan 0.000 0.514 156 L N 5.575 126.945 121.223 0.244 0.000 2.319 156 L HA 0.674 5.014 4.340 0.001 0.000 0.281 156 L C 0.189 177.160 176.870 0.167 0.000 1.005 156 L CA 0.133 55.097 54.840 0.208 0.000 0.828 156 L CB 1.429 43.656 42.059 0.280 0.000 1.227 156 L HN 0.854 nan 8.230 nan 0.000 0.415 157 A N 2.832 125.752 122.820 0.167 0.000 2.258 157 A HA 0.784 5.104 4.320 0.001 0.000 0.316 157 A C -0.113 177.676 177.584 0.342 0.000 1.279 157 A CA -0.197 51.960 52.037 0.200 0.000 0.876 157 A CB 0.373 19.459 19.000 0.143 0.000 1.170 157 A HN 0.671 nan 8.150 nan 0.000 0.520 158 T N -1.284 113.435 114.554 0.276 0.000 2.901 158 T HA 0.672 5.022 4.350 0.001 0.000 0.293 158 T C 0.780 175.567 174.700 0.145 0.000 1.084 158 T CA -0.008 62.203 62.100 0.185 0.000 1.008 158 T CB 1.397 70.319 68.868 0.089 0.000 1.170 158 T HN 2.269 nan 8.240 nan 0.000 0.509 159 G N 0.999 109.783 108.800 -0.026 0.000 2.179 159 G HA2 -0.199 3.761 3.960 0.001 0.000 0.257 159 G HA3 -0.199 3.761 3.960 0.001 0.000 0.257 159 G C -0.114 174.789 174.900 0.006 0.000 1.010 159 G CA 0.471 45.513 45.100 -0.097 0.000 0.736 159 G HN 1.342 nan 8.290 nan 0.000 0.513 160 F N -1.177 118.840 119.950 0.111 0.000 2.397 160 F HA 0.833 5.360 4.527 0.001 0.000 0.331 160 F C -0.234 175.852 175.800 0.477 0.000 1.090 160 F CA -2.366 55.743 58.000 0.181 0.000 1.065 160 F CB 1.150 40.203 39.000 0.088 0.000 1.184 160 F HN 0.156 nan 8.300 nan 0.000 0.499 161 Y N 4.081 124.742 120.300 0.601 0.000 2.436 161 Y HA 0.451 5.002 4.550 0.001 0.000 0.327 161 Y C -2.876 173.406 175.900 0.635 0.000 1.138 161 Y CA -2.240 56.225 58.100 0.609 0.000 1.042 161 Y CB 2.281 40.997 38.460 0.425 0.000 1.302 161 Y HN 0.510 nan 8.280 nan 0.000 0.439 162 P HA 0.135 nan 4.420 nan 0.000 0.312 162 P C -0.890 176.602 177.300 0.321 0.000 1.308 162 P CA -0.082 62.864 63.100 -0.258 0.000 0.743 162 P CB 0.825 32.316 31.700 -0.347 0.000 1.364 163 D N -1.084 119.374 120.400 0.096 0.000 2.741 163 D HA 0.100 4.741 4.640 0.001 0.000 0.233 163 D C -0.716 175.670 176.300 0.144 0.000 1.160 163 D CA -0.223 53.806 54.000 0.047 0.000 1.003 163 D CB -1.430 39.008 40.800 -0.603 0.000 1.064 163 D HN 0.215 nan 8.370 nan 0.000 0.503 164 H N 0.071 119.161 119.070 0.033 0.000 2.539 164 H HA 0.441 4.998 4.556 0.001 0.000 0.247 164 H C -0.166 175.110 175.328 -0.086 0.000 1.363 164 H CA -0.889 55.132 56.048 -0.046 0.000 1.371 164 H CB 0.646 30.338 29.762 -0.116 0.000 1.438 164 H HN 0.234 nan 8.280 nan 0.000 0.523 165 V N -0.382 119.507 119.914 -0.041 0.000 2.962 165 V HA 0.642 4.762 4.120 0.001 0.000 0.313 165 V C -0.195 175.868 176.094 -0.051 0.000 1.099 165 V CA -1.039 61.176 62.300 -0.141 0.000 0.971 165 V CB 3.021 34.570 31.823 -0.457 0.000 1.028 165 V HN 0.468 nan 8.190 nan 0.000 0.430 166 E N 2.706 122.882 120.200 -0.040 0.000 2.255 166 E HA 0.519 4.869 4.350 0.001 0.000 0.256 166 E C -1.344 175.249 176.600 -0.012 0.000 0.887 166 E CA -0.465 55.952 56.400 0.027 0.000 0.782 166 E CB 2.526 32.300 29.700 0.122 0.000 1.214 166 E HN 0.777 nan 8.360 nan 0.000 0.417 167 L N 3.066 124.282 121.223 -0.012 0.000 2.289 167 L HA 0.486 4.826 4.340 0.001 0.000 0.285 167 L C -0.607 176.258 176.870 -0.008 0.000 1.049 167 L CA -0.069 54.742 54.840 -0.049 0.000 0.804 167 L CB 0.824 42.842 42.059 -0.069 0.000 1.195 167 L HN 0.572 nan 8.230 nan 0.000 0.428 168 S N 2.212 117.901 115.700 -0.018 0.000 2.569 168 S HA 0.590 5.061 4.470 0.001 0.000 0.280 168 S C -1.552 173.046 174.600 -0.003 0.000 1.111 168 S CA -0.826 57.398 58.200 0.039 0.000 0.887 168 S CB 1.077 64.395 63.200 0.197 0.000 1.095 168 S HN 0.562 nan 8.310 nan 0.000 0.476 169 W N 0.832 122.109 121.300 -0.039 0.000 2.478 169 W HA 0.657 5.317 4.660 0.001 0.000 0.318 169 W C -1.490 174.936 176.519 -0.156 0.000 1.062 169 W CA -0.276 57.085 57.345 0.026 0.000 1.210 169 W CB 1.421 30.870 29.460 -0.018 0.000 1.325 169 W HN 0.670 nan 8.180 nan 0.000 0.496 170 W N 3.804 125.240 121.300 0.227 0.000 2.424 170 W HA 0.584 5.245 4.660 0.001 0.000 0.318 170 W C -1.156 175.442 176.519 0.132 0.000 1.016 170 W CA -0.898 56.521 57.345 0.123 0.000 1.268 170 W CB 1.078 30.575 29.460 0.062 0.000 1.297 170 W HN -0.168 nan 8.180 nan 0.000 0.428 171 V N 4.847 124.893 119.914 0.220 0.000 2.417 171 V HA 0.239 4.359 4.120 0.001 0.000 0.291 171 V C 0.126 176.276 176.094 0.093 0.000 1.024 171 V CA -1.111 61.254 62.300 0.109 0.000 0.861 171 V CB 1.361 33.258 31.823 0.123 0.000 0.985 171 V HN 0.648 nan 8.190 nan 0.000 0.436 172 N N 4.289 123.001 118.700 0.021 0.000 2.714 172 N HA -0.225 4.516 4.740 0.001 0.000 0.252 172 N C 1.220 176.793 175.510 0.105 0.000 1.014 172 N CA 1.416 54.490 53.050 0.040 0.000 0.735 172 N CB -1.021 37.489 38.487 0.039 0.000 0.924 172 N HN 1.487 nan 8.380 nan 0.000 0.540 173 G N -1.521 107.392 108.800 0.188 0.000 2.184 173 G HA2 -0.363 3.598 3.960 0.001 0.000 0.264 173 G HA3 -0.363 3.598 3.960 0.001 0.000 0.264 173 G C -0.038 175.091 174.900 0.382 0.000 0.975 173 G CA 1.030 46.266 45.100 0.226 0.000 0.642 173 G HN 0.569 nan 8.290 nan 0.000 0.536 174 K N 0.436 121.016 120.400 0.301 0.000 2.324 174 K HA 0.483 4.804 4.320 0.001 0.000 0.253 174 K C -0.101 176.419 176.600 -0.133 0.000 0.932 174 K CA -0.811 55.575 56.287 0.165 0.000 0.799 174 K CB 2.285 34.823 32.500 0.063 0.000 1.154 174 K HN 0.266 nan 8.250 nan 0.000 0.425 175 E N 2.060 121.835 120.200 -0.708 0.000 2.442 175 E HA 0.067 4.417 4.350 0.001 0.000 0.262 175 E C -0.657 175.614 176.600 -0.548 0.000 1.004 175 E CA -0.324 55.406 56.400 -1.118 0.000 0.928 175 E CB 0.678 29.561 29.700 -1.362 0.000 0.937 175 E HN 0.381 nan 8.360 nan 0.000 0.446 176 V N 2.022 121.625 119.914 -0.518 0.000 2.914 176 V HA 0.405 4.526 4.120 0.001 0.000 0.314 176 V C -0.011 175.781 176.094 -0.505 0.000 1.084 176 V CA -0.542 61.557 62.300 -0.336 0.000 0.963 176 V CB 1.875 33.606 31.823 -0.154 0.000 1.025 176 V HN 0.852 nan 8.190 nan 0.000 0.432 177 H N 0.936 119.962 119.070 -0.072 0.000 3.091 177 H HA 0.283 4.839 4.556 0.001 0.000 0.249 177 H C 1.229 176.528 175.328 -0.048 0.000 0.985 177 H CA 0.646 56.669 56.048 -0.042 0.000 1.177 177 H CB 1.082 30.819 29.762 -0.041 0.000 1.456 177 H HN 0.701 nan 8.280 nan 0.000 0.467 178 S N 0.219 115.941 115.700 0.036 0.000 2.531 178 S HA 0.328 4.798 4.470 0.001 0.000 0.279 178 S C 1.357 175.912 174.600 -0.075 0.000 1.305 178 S CA 0.789 58.977 58.200 -0.020 0.000 1.058 178 S CB 0.269 63.448 63.200 -0.036 0.000 0.899 178 S HN 0.744 nan 8.310 nan 0.000 0.493 179 G N 2.189 110.943 108.800 -0.076 0.000 2.148 179 G HA2 -0.210 3.751 3.960 0.001 0.000 0.254 179 G HA3 -0.210 3.751 3.960 0.001 0.000 0.254 179 G C 0.133 174.941 174.900 -0.154 0.000 0.981 179 G CA 0.271 45.301 45.100 -0.117 0.000 0.670 179 G HN 1.754 nan 8.290 nan 0.000 0.528 180 V N -0.545 119.306 119.914 -0.105 0.000 2.715 180 V HA 0.877 4.997 4.120 0.001 0.000 0.310 180 V C 0.254 176.351 176.094 0.005 0.000 1.054 180 V CA -0.383 61.863 62.300 -0.090 0.000 0.928 180 V CB 1.974 33.771 31.823 -0.043 0.000 1.007 180 V HN 1.687 nan 8.190 nan 0.000 0.437 181 C N 3.126 122.448 119.300 0.037 0.000 2.701 181 C HA 0.842 5.302 4.460 0.001 0.000 0.336 181 C C -0.310 174.752 174.990 0.120 0.000 1.123 181 C CA -0.012 59.049 59.018 0.073 0.000 1.326 181 C CB 0.553 28.316 27.740 0.038 0.000 1.833 181 C HN 1.040 nan 8.230 nan 0.000 0.473 182 T N 3.367 118.000 114.554 0.132 0.000 2.855 182 T HA 0.447 4.797 4.350 0.001 0.000 0.281 182 T C -0.598 174.164 174.700 0.102 0.000 1.007 182 T CA -0.112 62.074 62.100 0.142 0.000 1.009 182 T CB 1.117 70.074 68.868 0.147 0.000 0.983 182 T HN 0.787 nan 8.240 nan 0.000 0.455 183 D N 4.076 124.536 120.400 0.100 0.000 2.533 183 D HA 0.030 4.670 4.640 0.001 0.000 0.236 183 D C -1.459 174.888 176.300 0.078 0.000 1.137 183 D CA -1.260 52.791 54.000 0.084 0.000 0.867 183 D CB 0.841 41.696 40.800 0.091 0.000 1.170 183 D HN 0.209 nan 8.370 nan 0.000 0.474 184 P HA -0.124 nan 4.420 nan 0.000 0.216 184 P C 0.066 177.401 177.300 0.058 0.000 1.150 184 P CA 1.344 64.477 63.100 0.055 0.000 0.837 184 P CB 0.369 32.094 31.700 0.043 0.000 0.786 185 Q N -0.340 119.501 119.800 0.068 0.000 2.356 185 Q HA 0.372 4.713 4.340 0.001 0.000 0.270 185 Q C -2.550 173.516 176.000 0.109 0.000 1.058 185 Q CA -2.491 53.357 55.803 0.076 0.000 0.802 185 Q CB 1.803 30.583 28.738 0.071 0.000 1.303 185 Q HN 0.084 nan 8.270 nan 0.000 0.444 186 P HA 0.141 nan 4.420 nan 0.000 0.272 186 P C -0.771 176.666 177.300 0.228 0.000 1.230 186 P CA -0.484 62.743 63.100 0.212 0.000 0.788 186 P CB 0.756 32.611 31.700 0.259 0.000 0.949 187 L N 2.092 123.438 121.223 0.205 0.000 2.325 187 L HA 0.303 4.643 4.340 0.001 0.000 0.279 187 L C 0.960 177.904 176.870 0.123 0.000 1.054 187 L CA -0.458 54.469 54.840 0.144 0.000 0.804 187 L CB 0.284 42.388 42.059 0.075 0.000 1.200 187 L HN 0.292 nan 8.230 nan 0.000 0.436 188 K N 3.164 123.587 120.400 0.038 0.000 2.349 188 K HA 0.099 4.419 4.320 0.001 0.000 0.288 188 K C 0.704 177.231 176.600 -0.121 0.000 1.058 188 K CA -0.123 56.077 56.287 -0.145 0.000 0.953 188 K CB 0.923 33.347 32.500 -0.125 0.000 0.997 188 K HN 0.537 nan 8.250 nan 0.000 0.477 189 E N 2.027 122.122 120.200 -0.174 0.000 2.150 189 E HA -0.177 4.173 4.350 0.001 0.000 0.193 189 E C -0.041 176.490 176.600 -0.116 0.000 0.985 189 E CA 1.072 57.394 56.400 -0.130 0.000 0.814 189 E CB 0.232 29.841 29.700 -0.152 0.000 0.752 189 E HN 0.478 nan 8.360 nan 0.000 0.466 190 Q N 0.254 119.970 119.800 -0.140 0.000 2.907 190 Q HA 0.128 4.469 4.340 0.001 0.000 0.262 190 Q C -2.109 173.834 176.000 -0.096 0.000 0.997 190 Q CA -1.410 54.328 55.803 -0.108 0.000 0.797 190 Q CB 1.381 30.050 28.738 -0.116 0.000 1.228 190 Q HN 0.070 nan 8.270 nan 0.000 0.466 191 P HA -0.168 nan 4.420 nan 0.000 0.225 191 P C 0.792 178.073 177.300 -0.031 0.000 1.148 191 P CA 1.003 64.075 63.100 -0.047 0.000 0.779 191 P CB 0.403 32.087 31.700 -0.026 0.000 0.780 192 A N -1.045 121.754 122.820 -0.034 0.000 2.132 192 A HA 0.092 4.413 4.320 0.001 0.000 0.213 192 A C 1.068 178.636 177.584 -0.026 0.000 1.154 192 A CA 0.113 52.136 52.037 -0.023 0.000 0.753 192 A CB -0.710 18.277 19.000 -0.022 0.000 0.826 192 A HN 0.190 nan 8.150 nan 0.000 0.469 193 L N 1.609 122.804 121.223 -0.046 0.000 2.265 193 L HA 0.255 4.595 4.340 0.001 0.000 0.288 193 L C 1.125 177.968 176.870 -0.044 0.000 1.058 193 L CA -0.390 54.419 54.840 -0.053 0.000 0.809 193 L CB 0.591 42.601 42.059 -0.082 0.000 1.179 193 L HN 0.412 nan 8.230 nan 0.000 0.429 194 N N 2.680 121.370 118.700 -0.016 0.000 2.069 194 N HA -0.208 4.532 4.740 0.001 0.000 0.191 194 N C 0.386 175.924 175.510 0.046 0.000 1.031 194 N CA 1.668 54.733 53.050 0.025 0.000 0.852 194 N CB -0.632 37.879 38.487 0.040 0.000 1.018 194 N HN 0.734 nan 8.380 nan 0.000 0.423 195 D N -0.157 120.221 120.400 -0.035 0.000 2.706 195 D HA 0.082 4.722 4.640 0.001 0.000 0.236 195 D C -0.401 175.685 176.300 -0.357 0.000 1.231 195 D CA -0.532 53.362 54.000 -0.177 0.000 0.828 195 D CB -0.446 40.158 40.800 -0.327 0.000 1.015 195 D HN 0.099 nan 8.370 nan 0.000 0.484 196 S N 0.615 116.194 115.700 -0.200 0.000 2.546 196 S HA 0.009 4.480 4.470 0.001 0.000 0.290 196 S C 0.684 175.060 174.600 -0.372 0.000 1.290 196 S CA -0.534 57.496 58.200 -0.283 0.000 1.069 196 S CB 0.401 63.434 63.200 -0.277 0.000 0.846 196 S HN 0.203 nan 8.310 nan 0.000 0.495 197 R N 2.438 122.755 120.500 -0.305 0.000 2.827 197 R HA 0.163 4.504 4.340 0.001 0.000 0.269 197 R C -0.708 175.290 176.300 -0.503 0.000 1.048 197 R CA 0.302 56.260 56.100 -0.237 0.000 1.173 197 R CB 0.202 30.370 30.300 -0.220 0.000 1.070 197 R HN 0.632 nan 8.270 nan 0.000 0.498 198 Y N -1.103 118.919 120.300 -0.464 0.000 2.528 198 Y HA 0.562 5.113 4.550 0.001 0.000 0.335 198 Y C 0.131 175.562 175.900 -0.782 0.000 1.093 198 Y CA -0.822 56.849 58.100 -0.716 0.000 1.134 198 Y CB 2.048 39.869 38.460 -1.065 0.000 1.253 198 Y HN 0.630 nan 8.280 nan 0.000 0.478 199 A N 2.004 124.723 122.820 -0.168 0.000 2.414 199 A HA 0.788 5.109 4.320 0.001 0.000 0.306 199 A C -2.151 175.581 177.584 0.247 0.000 1.054 199 A CA -0.616 51.452 52.037 0.052 0.000 0.724 199 A CB 1.413 20.435 19.000 0.036 0.000 1.267 199 A HN 0.632 nan 8.150 nan 0.000 0.418 200 L N 1.899 123.352 121.223 0.383 0.000 2.401 200 L HA 0.820 5.161 4.340 0.001 0.000 0.266 200 L C -0.036 176.948 176.870 0.191 0.000 0.991 200 L CA 0.165 55.183 54.840 0.298 0.000 0.818 200 L CB 2.315 44.581 42.059 0.344 0.000 1.321 200 L HN 0.943 nan 8.230 nan 0.000 0.413 201 S N 2.295 118.082 115.700 0.145 0.000 2.568 201 S HA 0.916 5.386 4.470 0.001 0.000 0.293 201 S C -0.779 173.911 174.600 0.150 0.000 1.089 201 S CA -0.530 57.747 58.200 0.128 0.000 0.945 201 S CB 1.805 65.057 63.200 0.086 0.000 1.077 201 S HN 0.817 nan 8.310 nan 0.000 0.485 202 S N 0.590 116.417 115.700 0.211 0.000 2.546 202 S HA 0.732 5.202 4.470 0.001 0.000 0.274 202 S C -1.464 173.383 174.600 0.412 0.000 1.121 202 S CA -0.846 57.547 58.200 0.322 0.000 0.887 202 S CB 1.224 64.669 63.200 0.410 0.000 1.094 202 S HN 0.806 nan 8.310 nan 0.000 0.474 203 R N 1.522 122.179 120.500 0.261 0.000 2.562 203 R HA 0.668 5.009 4.340 0.001 0.000 0.298 203 R C -1.383 174.730 176.300 -0.312 0.000 0.961 203 R CA -0.669 55.447 56.100 0.028 0.000 0.881 203 R CB 1.649 31.922 30.300 -0.046 0.000 1.159 203 R HN 0.467 nan 8.270 nan 0.000 0.450 204 L N 2.036 122.773 121.223 -0.811 0.000 2.305 204 L HA 0.535 4.876 4.340 0.001 0.000 0.284 204 L C -0.836 175.711 176.870 -0.538 0.000 1.013 204 L CA -0.252 54.021 54.840 -0.944 0.000 0.819 204 L CB 1.281 42.309 42.059 -1.718 0.000 1.227 204 L HN 0.537 nan 8.230 nan 0.000 0.417 205 R N 4.356 124.653 120.500 -0.339 0.000 2.387 205 R HA 0.779 5.119 4.340 0.001 0.000 0.314 205 R C -0.892 175.304 176.300 -0.174 0.000 0.958 205 R CA -0.546 55.415 56.100 -0.232 0.000 0.846 205 R CB 1.455 31.658 30.300 -0.162 0.000 1.147 205 R HN 0.683 nan 8.270 nan 0.000 0.447 206 V N 0.237 120.081 119.914 -0.117 0.000 3.182 206 V HA 0.666 4.786 4.120 0.001 0.000 0.311 206 V C -0.136 175.975 176.094 0.029 0.000 1.221 206 V CA -0.935 61.345 62.300 -0.033 0.000 1.060 206 V CB 1.654 33.561 31.823 0.140 0.000 1.164 206 V HN 0.831 nan 8.190 nan 0.000 0.466 207 S N 0.108 115.868 115.700 0.101 0.000 2.601 207 S HA 0.646 5.116 4.470 0.001 0.000 0.271 207 S C 1.267 176.001 174.600 0.222 0.000 1.305 207 S CA 0.001 58.279 58.200 0.130 0.000 1.022 207 S CB 1.133 64.407 63.200 0.124 0.000 0.940 207 S HN 1.842 nan 8.310 nan 0.000 0.525 208 A N 2.711 125.632 122.820 0.169 0.000 1.884 208 A HA -0.137 4.183 4.320 0.001 0.000 0.219 208 A C 2.268 180.001 177.584 0.248 0.000 1.197 208 A CA 2.518 54.680 52.037 0.209 0.000 0.637 208 A CB -2.167 16.916 19.000 0.138 0.000 0.827 208 A HN 0.975 nan 8.150 nan 0.000 0.450 209 T N -1.202 113.469 114.554 0.195 0.000 2.684 209 T HA -0.186 4.165 4.350 0.001 0.000 0.267 209 T C 1.667 176.489 174.700 0.204 0.000 1.036 209 T CA 1.521 63.721 62.100 0.166 0.000 1.148 209 T CB -0.518 68.432 68.868 0.136 0.000 0.863 209 T HN 0.421 nan 8.240 nan 0.000 0.436 210 F N 0.966 121.011 119.950 0.158 0.000 2.069 210 F HA -0.096 4.432 4.527 0.001 0.000 0.298 210 F C 2.402 178.398 175.800 0.327 0.000 1.113 210 F CA 1.450 59.575 58.000 0.209 0.000 1.214 210 F CB -0.295 38.835 39.000 0.217 0.000 0.978 210 F HN 0.272 nan 8.300 nan 0.000 0.474 211 W N 1.362 122.864 121.300 0.337 0.000 2.338 211 W HA -0.249 4.411 4.660 0.001 0.000 0.304 211 W C 1.685 178.281 176.519 0.127 0.000 1.212 211 W CA 1.731 59.192 57.345 0.192 0.000 1.264 211 W CB -0.590 28.874 29.460 0.006 0.000 1.142 211 W HN 0.185 nan 8.180 nan 0.000 0.512 212 Q N 0.183 119.930 119.800 -0.089 0.000 2.515 212 Q HA -0.085 4.255 4.340 0.001 0.000 0.212 212 Q C 0.299 176.174 176.000 -0.208 0.000 0.970 212 Q CA 0.286 55.960 55.803 -0.215 0.000 0.941 212 Q CB -0.313 28.425 28.738 -0.001 0.000 0.998 212 Q HN 0.267 nan 8.270 nan 0.000 0.518 213 N N 1.081 119.666 118.700 -0.193 0.000 2.415 213 N HA 0.056 4.797 4.740 0.001 0.000 0.246 213 N C -2.067 173.348 175.510 -0.157 0.000 1.078 213 N CA -1.858 51.091 53.050 -0.168 0.000 0.942 213 N CB 0.979 39.344 38.487 -0.205 0.000 1.140 213 N HN -0.146 nan 8.380 nan 0.000 0.501 214 P HA -0.116 nan 4.420 nan 0.000 0.223 214 P C 0.343 177.671 177.300 0.048 0.000 1.144 214 P CA 1.093 64.153 63.100 -0.067 0.000 0.783 214 P CB 0.234 31.873 31.700 -0.102 0.000 0.771 215 R N -1.093 119.425 120.500 0.029 0.000 2.515 215 R HA 0.208 4.548 4.340 0.001 0.000 0.294 215 R C -0.028 176.362 176.300 0.150 0.000 1.021 215 R CA -0.109 56.075 56.100 0.140 0.000 1.081 215 R CB -0.373 29.943 30.300 0.026 0.000 1.263 215 R HN 0.269 nan 8.270 nan 0.000 0.557 216 N N -0.065 118.636 118.700 0.002 0.000 2.430 216 N HA 0.107 4.848 4.740 0.001 0.000 0.292 216 N C -1.288 173.998 175.510 -0.374 0.000 1.051 216 N CA -0.502 52.362 53.050 -0.310 0.000 0.917 216 N CB 1.061 39.118 38.487 -0.716 0.000 1.164 216 N HN 0.123 nan 8.380 nan 0.000 0.484 217 H N 2.830 121.413 119.070 -0.811 0.000 2.589 217 H HA 0.358 4.914 4.556 0.001 0.000 0.351 217 H C -1.564 173.289 175.328 -0.790 0.000 1.074 217 H CA -0.534 54.964 56.048 -0.916 0.000 1.203 217 H CB 0.784 29.858 29.762 -1.146 0.000 1.558 217 H HN 0.435 nan 8.280 nan 0.000 0.522 218 F N 3.897 123.486 119.950 -0.602 0.000 2.518 218 F HA 0.486 5.014 4.527 0.001 0.000 0.323 218 F C 0.302 175.939 175.800 -0.272 0.000 1.129 218 F CA -0.775 57.133 58.000 -0.154 0.000 0.920 218 F CB 1.707 40.806 39.000 0.166 0.000 1.160 218 F HN 0.255 nan 8.300 nan 0.000 0.440 219 R N 2.074 122.667 120.500 0.155 0.000 2.532 219 R HA 0.490 4.830 4.340 0.001 0.000 0.297 219 R C -1.633 174.722 176.300 0.091 0.000 0.984 219 R CA -0.551 55.594 56.100 0.075 0.000 0.884 219 R CB 1.882 32.220 30.300 0.062 0.000 1.182 219 R HN 0.868 nan 8.270 nan 0.000 0.442 220 c N 4.563 123.036 118.600 -0.212 0.000 2.303 220 c HA 0.322 4.893 4.570 0.001 0.000 0.341 220 c C 0.092 174.007 174.090 -0.292 0.000 1.244 220 c CA -0.218 55.754 56.329 -0.596 0.000 1.765 220 c CB 0.455 42.468 42.510 -0.829 0.000 2.379 220 c HN 0.782 nan 8.230 nan 0.000 0.530 221 Q N 4.398 124.085 119.800 -0.188 0.000 2.293 221 Q HA 0.673 5.014 4.340 0.001 0.000 0.261 221 Q C -1.502 174.423 176.000 -0.125 0.000 0.960 221 Q CA -0.448 55.277 55.803 -0.131 0.000 0.882 221 Q CB 1.580 30.262 28.738 -0.094 0.000 1.275 221 Q HN 0.682 nan 8.270 nan 0.000 0.445 222 V N 4.163 123.994 119.914 -0.138 0.000 2.409 222 V HA 0.180 4.301 4.120 0.001 0.000 0.290 222 V C -0.645 175.364 176.094 -0.141 0.000 1.017 222 V CA -0.778 61.438 62.300 -0.139 0.000 0.841 222 V CB 1.416 33.143 31.823 -0.160 0.000 1.003 222 V HN 0.772 nan 8.190 nan 0.000 0.426 223 Q N 4.035 123.744 119.800 -0.151 0.000 2.307 223 Q HA 0.383 4.724 4.340 0.001 0.000 0.259 223 Q C -1.148 174.664 176.000 -0.313 0.000 0.998 223 Q CA 0.028 55.675 55.803 -0.260 0.000 0.923 223 Q CB 0.843 29.400 28.738 -0.300 0.000 1.196 223 Q HN 0.586 nan 8.270 nan 0.000 0.416 224 F N 4.866 124.540 119.950 -0.460 0.000 2.420 224 F HA 0.430 4.957 4.527 0.001 0.000 0.342 224 F C -1.488 173.992 175.800 -0.532 0.000 1.113 224 F CA -0.849 56.916 58.000 -0.391 0.000 1.059 224 F CB 0.673 39.534 39.000 -0.232 0.000 1.128 224 F HN 0.533 nan 8.300 nan 0.000 0.475 225 Y N 5.184 125.005 120.300 -0.799 0.000 2.353 225 Y HA 0.569 5.120 4.550 0.001 0.000 0.340 225 Y C 0.658 175.846 175.900 -1.187 0.000 0.972 225 Y CA -0.105 57.546 58.100 -0.749 0.000 1.157 225 Y CB 1.256 39.401 38.460 -0.525 0.000 1.157 225 Y HN 0.773 nan 8.280 nan 0.000 0.495 226 G N 1.879 110.223 108.800 -0.761 0.000 3.356 226 G HA2 0.440 4.401 3.960 0.001 0.000 0.178 226 G HA3 0.440 4.401 3.960 0.001 0.000 0.178 226 G C -1.037 173.730 174.900 -0.222 0.000 1.130 226 G CA -0.698 44.063 45.100 -0.566 0.000 0.800 226 G HN 0.254 nan 8.290 nan 0.000 0.669 227 L N 0.577 121.726 121.223 -0.124 0.000 2.453 227 L HA 0.422 4.763 4.340 0.001 0.000 0.261 227 L C 1.253 178.080 176.870 -0.072 0.000 1.179 227 L CA 0.418 55.203 54.840 -0.091 0.000 0.813 227 L CB 1.731 43.719 42.059 -0.118 0.000 1.110 227 L HN 0.361 nan 8.230 nan 0.000 0.466 228 S N -0.437 115.238 115.700 -0.042 0.000 2.629 228 S HA 0.154 4.624 4.470 0.001 0.000 0.236 228 S C 0.629 175.218 174.600 -0.017 0.000 1.010 228 S CA -0.050 58.134 58.200 -0.028 0.000 0.981 228 S CB 0.163 63.350 63.200 -0.022 0.000 0.919 228 S HN 0.722 nan 8.310 nan 0.000 0.514 229 E N 1.148 121.340 120.200 -0.013 0.000 4.205 229 E HA -0.242 4.108 4.350 0.001 0.000 0.310 229 E C 0.506 177.112 176.600 0.009 0.000 0.654 229 E CA 1.540 57.940 56.400 -0.000 0.000 1.279 229 E CB -1.445 28.251 29.700 -0.007 0.000 1.720 229 E HN 0.492 nan 8.360 nan 0.000 0.403 230 N N 1.486 120.189 118.700 0.005 0.000 2.362 230 N HA 0.013 4.753 4.740 0.001 0.000 0.204 230 N C -0.935 174.587 175.510 0.019 0.000 1.166 230 N CA 0.816 53.870 53.050 0.007 0.000 0.831 230 N CB 0.113 38.597 38.487 -0.004 0.000 1.008 230 N HN 0.328 nan 8.380 nan 0.000 0.472 231 D N -0.687 119.734 120.400 0.035 0.000 2.934 231 D HA 0.232 4.872 4.640 0.001 0.000 0.230 231 D C -0.705 175.656 176.300 0.102 0.000 1.204 231 D CA -0.612 53.425 54.000 0.062 0.000 0.873 231 D CB 0.729 41.568 40.800 0.065 0.000 1.645 231 D HN -0.066 nan 8.370 nan 0.000 0.502 232 E N 0.469 120.740 120.200 0.117 0.000 2.349 232 E HA 0.312 4.663 4.350 0.001 0.000 0.262 232 E C -0.796 175.973 176.600 0.282 0.000 1.088 232 E CA -0.782 55.706 56.400 0.146 0.000 0.899 232 E CB 1.757 31.506 29.700 0.082 0.000 1.044 232 E HN 0.445 nan 8.360 nan 0.000 0.420 233 W N 2.062 123.358 121.300 -0.007 0.000 2.554 233 W HA 0.220 4.881 4.660 0.001 0.000 0.324 233 W C -1.036 175.475 176.519 -0.013 0.000 1.018 233 W CA -0.598 56.739 57.345 -0.013 0.000 1.243 233 W CB 1.846 31.297 29.460 -0.014 0.000 1.345 233 W HN 0.444 nan 8.180 nan 0.000 0.441 234 T N 4.053 118.313 114.554 -0.489 0.000 3.374 234 T HA 0.227 4.577 4.350 0.001 0.000 0.267 234 T C -0.092 174.315 174.700 -0.488 0.000 0.996 234 T CA -0.072 61.814 62.100 -0.356 0.000 0.977 234 T CB 0.542 69.278 68.868 -0.221 0.000 1.149 234 T HN 0.383 nan 8.240 nan 0.000 0.517 235 Q N 0.001 119.371 119.800 -0.717 0.000 2.668 235 Q HA 0.427 4.767 4.340 0.001 0.000 0.298 235 Q C 0.413 176.336 176.000 -0.128 0.000 1.071 235 Q CA -0.776 54.752 55.803 -0.459 0.000 0.789 235 Q CB 1.765 30.130 28.738 -0.621 0.000 1.497 235 Q HN 0.081 nan 8.270 nan 0.000 0.460 236 D N -0.268 120.126 120.400 -0.010 0.000 2.149 236 D HA -0.037 4.603 4.640 0.001 0.000 0.206 236 D C -0.092 176.302 176.300 0.157 0.000 0.967 236 D CA 0.383 54.426 54.000 0.071 0.000 0.848 236 D CB 0.413 41.238 40.800 0.042 0.000 0.998 236 D HN 0.345 nan 8.370 nan 0.000 0.474 237 R N 0.568 121.187 120.500 0.199 0.000 2.756 237 R HA 0.322 4.662 4.340 0.001 0.000 0.264 237 R C 0.013 176.467 176.300 0.257 0.000 1.026 237 R CA -0.175 56.049 56.100 0.207 0.000 1.121 237 R CB 0.198 30.620 30.300 0.204 0.000 0.999 237 R HN -0.033 nan 8.270 nan 0.000 0.449 238 A N 2.938 125.821 122.820 0.104 0.000 2.587 238 A HA 0.032 4.352 4.320 0.001 0.000 0.235 238 A C -0.194 177.257 177.584 -0.221 0.000 1.044 238 A CA -0.271 51.764 52.037 -0.004 0.000 0.754 238 A CB 0.056 19.033 19.000 -0.038 0.000 0.968 238 A HN 0.645 nan 8.150 nan 0.000 0.509 239 K N 3.863 123.983 120.400 -0.466 0.000 2.491 239 K HA 0.117 4.437 4.320 0.001 0.000 0.279 239 K C -2.475 173.686 176.600 -0.731 0.000 1.026 239 K CA -2.032 53.545 56.287 -1.184 0.000 1.070 239 K CB -0.398 31.674 32.500 -0.714 0.000 0.887 239 K HN 0.465 nan 8.250 nan 0.000 0.481 240 P HA -0.010 nan 4.420 nan 0.000 0.230 240 P C 0.136 177.375 177.300 -0.101 0.000 1.791 240 P CA -0.372 62.528 63.100 -0.334 0.000 1.020 240 P CB -0.254 31.269 31.700 -0.295 0.000 1.977 241 V N -0.162 119.683 119.914 -0.116 0.000 3.264 241 V HA 0.334 4.454 4.120 0.001 0.000 0.304 241 V C 0.628 176.730 176.094 0.013 0.000 1.086 241 V CA -0.306 61.951 62.300 -0.072 0.000 1.090 241 V CB -0.345 31.424 31.823 -0.089 0.000 1.112 241 V HN 0.156 nan 8.190 nan 0.000 0.472 242 T N 4.236 118.749 114.554 -0.068 0.000 2.908 242 T HA 0.391 4.742 4.350 0.001 0.000 0.301 242 T C -0.055 174.601 174.700 -0.073 0.000 1.019 242 T CA 0.511 62.538 62.100 -0.122 0.000 1.152 242 T CB -0.330 68.469 68.868 -0.114 0.000 0.966 242 T HN 1.102 nan 8.240 nan 0.000 0.540 243 Q N 1.929 121.684 119.800 -0.076 0.000 2.666 243 Q HA 0.448 4.789 4.340 0.001 0.000 0.276 243 Q C -1.895 174.052 176.000 -0.088 0.000 0.952 243 Q CA -0.922 54.845 55.803 -0.058 0.000 0.850 243 Q CB 0.812 29.546 28.738 -0.008 0.000 1.512 243 Q HN 0.518 nan 8.270 nan 0.000 0.395 244 I N 1.900 122.404 120.570 -0.109 0.000 2.331 244 I HA 0.450 4.621 4.170 0.001 0.000 0.292 244 I C -0.662 175.390 176.117 -0.108 0.000 0.998 244 I CA -1.026 60.197 61.300 -0.127 0.000 1.267 244 I CB 1.765 39.675 38.000 -0.149 0.000 1.386 244 I HN 0.418 nan 8.210 nan 0.000 0.476 245 V N 5.273 125.121 119.914 -0.110 0.000 2.495 245 V HA 0.520 4.641 4.120 0.001 0.000 0.298 245 V C -0.132 175.893 176.094 -0.114 0.000 1.031 245 V CA -0.356 61.883 62.300 -0.102 0.000 0.871 245 V CB 1.623 33.388 31.823 -0.097 0.000 0.988 245 V HN 0.766 nan 8.190 nan 0.000 0.432 246 S N 2.005 117.641 115.700 -0.105 0.000 2.632 246 S HA 0.966 5.436 4.470 0.001 0.000 0.289 246 S C -0.500 174.048 174.600 -0.087 0.000 1.115 246 S CA -0.394 57.737 58.200 -0.115 0.000 0.889 246 S CB 2.147 65.269 63.200 -0.130 0.000 1.116 246 S HN 1.209 nan 8.310 nan 0.000 0.486 247 A N 1.481 124.246 122.820 -0.092 0.000 2.520 247 A HA 0.789 5.109 4.320 0.001 0.000 0.298 247 A C -1.181 176.373 177.584 -0.049 0.000 1.051 247 A CA -0.798 51.203 52.037 -0.062 0.000 0.690 247 A CB 1.366 20.325 19.000 -0.069 0.000 1.281 247 A HN 0.833 nan 8.150 nan 0.000 0.402 248 E N 0.467 120.659 120.200 -0.014 0.000 2.416 248 E HA 0.844 5.195 4.350 0.001 0.000 0.273 248 E C -0.737 175.879 176.600 0.027 0.000 0.935 248 E CA -1.008 55.373 56.400 -0.032 0.000 0.784 248 E CB 2.254 31.910 29.700 -0.073 0.000 1.301 248 E HN 1.485 nan 8.360 nan 0.000 0.454 249 A N 0.941 123.769 122.820 0.014 0.000 2.520 249 A HA 0.540 4.860 4.320 0.001 0.000 0.298 249 A C -2.038 175.643 177.584 0.162 0.000 1.051 249 A CA -0.864 51.285 52.037 0.187 0.000 0.690 249 A CB 0.691 19.897 19.000 0.342 0.000 1.281 249 A HN 0.596 nan 8.150 nan 0.000 0.402 250 W N 1.208 122.653 121.300 0.242 0.000 2.303 250 W HA 0.516 5.176 4.660 0.001 0.000 0.334 250 W C 1.133 177.660 176.519 0.012 0.000 1.197 250 W CA 0.784 58.235 57.345 0.177 0.000 1.262 250 W CB 1.145 30.658 29.460 0.089 0.000 1.153 250 W HN 1.050 nan 8.180 nan 0.000 0.596 251 G N 1.590 110.496 108.800 0.178 0.000 2.690 251 G HA2 0.290 4.251 3.960 0.001 0.000 0.239 251 G HA3 0.290 4.251 3.960 0.001 0.000 0.239 251 G C -0.948 173.612 174.900 -0.566 0.000 1.233 251 G CA -0.468 44.327 45.100 -0.508 0.000 0.847 251 G HN 0.518 nan 8.290 nan 0.000 0.588 252 R N 0.348 120.290 120.500 -0.930 0.000 2.564 252 R HA 0.509 4.849 4.340 0.001 0.000 0.284 252 R C 0.915 177.052 176.300 -0.272 0.000 1.031 252 R CA -0.183 55.667 56.100 -0.417 0.000 0.904 252 R CB 1.531 31.721 30.300 -0.183 0.000 1.199 252 R HN 0.533 nan 8.270 nan 0.000 0.443 253 A N 3.093 125.837 122.820 -0.125 0.000 1.898 253 A HA 0.006 4.326 4.320 0.001 0.000 0.216 253 A C 0.208 177.791 177.584 -0.001 0.000 1.181 253 A CA 1.325 53.324 52.037 -0.063 0.000 0.620 253 A CB -0.024 18.950 19.000 -0.045 0.000 0.819 253 A HN 0.754 nan 8.150 nan 0.000 0.442 254 D N 0.000 120.416 120.400 0.027 0.000 6.856 254 D HA 0.000 4.640 4.640 0.001 0.000 0.175 254 D CA 0.000 54.037 54.000 0.062 0.000 0.868 254 D CB 0.000 40.825 40.800 0.041 0.000 0.688 254 D HN 0.000 nan 8.370 nan 0.000 0.683