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 1zz1_1_B DATA FIRST_RESID 2 DATA SEQUENCE AIGYVWNTLY GWVDTGTGSL AAANLTARMQ PISHHLAHPD TKRRFHELVC DATA SEQUENCE ASGQIEHLTP IAAVAATDAD ILRAHSAAHL ENMKRVSNLP TGGDTGDGIT DATA SEQUENCE MMGNGGLEIA RLSAGGAVEL TRRVATGELS AGYALVNPPG HHAPHNAAMG DATA SEQUENCE FCIFNNTSVA AGYARAVLGM ERVAILDWDV HHGNGTQDIW WNDPSVLTIS DATA SEQUENCE LHQHLCFPPD SGYSTERGAG NGHGYNINVP LPPGSGNAAY LHAMDQVVLP DATA SEQUENCE ALRAYRPQLI IVGSGFDASM LDPLARMMVT ADGFRQMARR TIDCAADICD DATA SEQUENCE GRIVFVQEGG YSPHYLPFCG LAVIEELTGV RSLPDPYHEF LAGMGGNTLL DATA SEQUENCE DAERAAIEEI VPLLADI 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.639 177.584 0.092 0.000 1.274 2 A CA 0.000 52.082 52.037 0.075 0.000 0.836 2 A CB 0.000 19.039 19.000 0.065 0.000 0.831 3 I N 2.818 123.450 120.570 0.104 0.000 2.330 3 I HA 0.473 4.650 4.170 0.011 0.000 0.289 3 I C 1.040 177.249 176.117 0.154 0.000 1.001 3 I CA -0.217 61.161 61.300 0.131 0.000 1.193 3 I CB 0.761 38.838 38.000 0.128 0.000 1.345 3 I HN 0.788 nan 8.210 nan 0.000 0.461 4 G N 5.645 114.545 108.800 0.167 0.000 2.476 4 G HA2 0.334 4.301 3.960 0.011 0.000 0.269 4 G HA3 0.334 4.301 3.960 0.011 0.000 0.269 4 G C -1.529 173.538 174.900 0.278 0.000 1.195 4 G CA -0.139 45.069 45.100 0.181 0.000 0.843 4 G HN 0.590 nan 8.290 nan 0.000 0.545 5 Y N 1.026 121.396 120.300 0.118 0.000 2.362 5 Y HA 0.467 5.023 4.550 0.010 0.000 0.326 5 Y C -1.106 174.884 175.900 0.151 0.000 1.083 5 Y CA -0.936 57.254 58.100 0.149 0.000 1.073 5 Y CB 1.906 40.437 38.460 0.118 0.000 1.211 5 Y HN 0.453 nan 8.280 nan 0.000 0.433 6 V N 6.673 126.354 119.914 -0.389 0.000 2.357 6 V HA 0.317 4.444 4.120 0.011 0.000 0.284 6 V C -1.037 174.865 176.094 -0.322 0.000 1.018 6 V CA -0.655 61.491 62.300 -0.258 0.000 0.841 6 V CB 1.399 33.194 31.823 -0.048 0.000 0.991 6 V HN 0.813 nan 8.190 nan 0.000 0.437 7 W N 6.346 127.365 121.300 -0.469 0.000 2.900 7 W HA 0.458 5.125 4.660 0.011 0.000 0.336 7 W C -1.617 174.594 176.519 -0.512 0.000 1.064 7 W CA -0.592 56.501 57.345 -0.420 0.000 1.237 7 W CB 2.049 31.104 29.460 -0.675 0.000 1.391 7 W HN 0.593 nan 8.180 nan 0.000 0.468 8 N N 2.839 120.521 118.700 -1.698 0.000 2.321 8 N HA 0.166 4.912 4.740 0.011 0.000 0.299 8 N C 0.739 175.217 175.510 -1.721 0.000 1.048 8 N CA -0.031 52.089 53.050 -1.550 0.000 0.836 8 N CB 2.206 39.695 38.487 -1.663 0.000 1.269 8 N HN 0.403 nan 8.380 nan 0.000 0.486 9 T N 3.077 117.040 114.554 -0.985 0.000 2.721 9 T HA -0.136 4.220 4.350 0.011 0.000 0.268 9 T C 1.818 176.024 174.700 -0.823 0.000 1.038 9 T CA 1.293 62.983 62.100 -0.684 0.000 1.145 9 T CB -0.067 68.498 68.868 -0.505 0.000 0.858 9 T HN 0.520 nan 8.240 nan 0.000 0.459 10 L N -0.283 120.394 121.223 -0.909 0.000 2.275 10 L HA -0.054 4.292 4.340 0.011 0.000 0.215 10 L C 2.269 178.946 176.870 -0.321 0.000 1.119 10 L CA 0.819 55.260 54.840 -0.665 0.000 0.790 10 L CB -0.693 41.054 42.059 -0.520 0.000 0.919 10 L HN 0.264 nan 8.230 nan 0.000 0.443 11 Y N 0.563 120.491 120.300 -0.621 0.000 2.256 11 Y HA -0.154 4.402 4.550 0.011 0.000 0.288 11 Y C 2.494 178.273 175.900 -0.202 0.000 1.155 11 Y CA 0.883 58.661 58.100 -0.536 0.000 1.203 11 Y CB -1.357 36.508 38.460 -0.992 0.000 0.980 11 Y HN 0.120 nan 8.280 nan 0.000 0.530 12 G N -2.787 106.063 108.800 0.083 0.000 2.985 12 G HA2 -0.117 3.849 3.960 0.011 0.000 0.209 12 G HA3 -0.117 3.849 3.960 0.011 0.000 0.209 12 G C 0.619 175.788 174.900 0.448 0.000 1.165 12 G CA -0.018 45.344 45.100 0.437 0.000 0.776 12 G HN 0.329 nan 8.290 nan 0.000 0.541 13 W N 0.354 121.642 121.300 -0.020 0.000 3.127 13 W HA 0.419 5.085 4.660 0.010 0.000 0.344 13 W C 0.420 176.887 176.519 -0.085 0.000 1.151 13 W CA -1.463 55.852 57.345 -0.050 0.000 1.765 13 W CB -0.344 29.083 29.460 -0.056 0.000 1.085 13 W HN -0.218 nan 8.180 nan 0.000 0.596 14 V N 2.728 122.707 119.914 0.108 0.000 2.584 14 V HA -0.151 3.976 4.120 0.011 0.000 0.303 14 V C 0.356 176.394 176.094 -0.092 0.000 1.035 14 V CA 0.627 62.926 62.300 -0.001 0.000 1.172 14 V CB 0.184 31.991 31.823 -0.027 0.000 0.896 14 V HN -0.107 nan 8.190 nan 0.000 0.486 15 D N 3.982 124.328 120.400 -0.090 0.000 2.380 15 D HA 0.187 4.833 4.640 0.011 0.000 0.230 15 D C 1.129 177.325 176.300 -0.174 0.000 1.154 15 D CA -0.073 53.849 54.000 -0.130 0.000 0.859 15 D CB 1.333 42.083 40.800 -0.084 0.000 1.045 15 D HN 0.711 nan 8.370 nan 0.000 0.495 16 T N 0.637 115.044 114.554 -0.245 0.000 3.107 16 T HA 0.462 4.818 4.350 0.011 0.000 0.249 16 T C 1.153 175.688 174.700 -0.276 0.000 1.096 16 T CA 0.164 62.046 62.100 -0.364 0.000 1.012 16 T CB 0.045 68.611 68.868 -0.503 0.000 0.977 16 T HN 0.574 nan 8.240 nan 0.000 0.527 17 G N 1.656 110.376 108.800 -0.134 0.000 2.482 17 G HA2 -0.125 3.841 3.960 0.011 0.000 0.214 17 G HA3 -0.125 3.841 3.960 0.011 0.000 0.214 17 G C 0.450 175.353 174.900 0.005 0.000 1.271 17 G CA 0.432 45.500 45.100 -0.054 0.000 0.944 17 G HN 1.004 nan 8.290 nan 0.000 0.568 18 T N -1.778 112.798 114.554 0.036 0.000 3.111 18 T HA 0.623 4.979 4.350 0.011 0.000 0.284 18 T C 1.085 175.830 174.700 0.075 0.000 0.983 18 T CA 1.217 63.347 62.100 0.049 0.000 0.900 18 T CB 0.590 69.472 68.868 0.024 0.000 1.132 18 T HN 1.917 nan 8.240 nan 0.000 0.531 19 G N 0.539 109.411 108.800 0.119 0.000 2.522 19 G HA2 0.489 4.455 3.960 0.011 0.000 0.304 19 G HA3 0.489 4.455 3.960 0.011 0.000 0.304 19 G C 0.551 175.516 174.900 0.107 0.000 1.210 19 G CA -0.398 44.773 45.100 0.118 0.000 0.960 19 G HN 0.171 nan 8.290 nan 0.000 0.497 20 S N -0.956 114.731 115.700 -0.022 0.000 2.421 20 S HA 0.055 4.531 4.470 0.011 0.000 0.224 20 S C 1.263 175.532 174.600 -0.552 0.000 1.035 20 S CA 0.949 59.034 58.200 -0.192 0.000 0.953 20 S CB -0.039 63.097 63.200 -0.106 0.000 0.810 20 S HN 0.428 nan 8.310 nan 0.000 0.497 21 L N -0.838 120.219 121.223 -0.277 0.000 2.208 21 L HA 0.586 4.932 4.340 0.011 0.000 0.133 21 L C 0.253 177.239 176.870 0.192 0.000 1.385 21 L CA 0.589 55.344 54.840 -0.141 0.000 1.030 21 L CB -0.654 41.350 42.059 -0.091 0.000 2.075 21 L HN 0.085 nan 8.230 nan 0.000 0.482 22 A N 0.997 123.871 122.820 0.091 0.000 2.267 22 A HA 0.744 5.070 4.320 0.011 0.000 0.271 22 A C 0.399 178.046 177.584 0.105 0.000 1.131 22 A CA 0.124 52.220 52.037 0.099 0.000 0.818 22 A CB -0.455 18.576 19.000 0.051 0.000 1.118 22 A HN 0.644 nan 8.150 nan 0.000 0.501 23 A N -0.570 122.297 122.820 0.079 0.000 2.386 23 A HA 0.547 4.873 4.320 0.011 0.000 0.246 23 A C 0.893 178.507 177.584 0.049 0.000 1.089 23 A CA 0.169 52.246 52.037 0.066 0.000 0.790 23 A CB -0.552 18.473 19.000 0.042 0.000 1.042 23 A HN 2.234 nan 8.150 nan 0.000 0.497 24 A N 1.153 123.999 122.820 0.043 0.000 2.520 24 A HA 0.404 4.731 4.320 0.011 0.000 0.235 24 A C 0.443 178.041 177.584 0.023 0.000 1.065 24 A CA 0.158 52.213 52.037 0.030 0.000 0.764 24 A CB -0.115 18.901 19.000 0.027 0.000 1.002 24 A HN 0.877 nan 8.150 nan 0.000 0.502 25 N N 2.211 120.922 118.700 0.018 0.000 2.549 25 N HA 0.206 4.953 4.740 0.011 0.000 0.290 25 N C 0.267 175.784 175.510 0.012 0.000 1.122 25 N CA -0.420 52.639 53.050 0.015 0.000 0.885 25 N CB 1.172 39.668 38.487 0.015 0.000 1.455 25 N HN 0.538 nan 8.380 nan 0.000 0.521 26 L N 1.573 122.802 121.223 0.010 0.000 2.046 26 L HA -0.119 4.227 4.340 0.011 0.000 0.208 26 L C 2.139 179.014 176.870 0.008 0.000 1.077 26 L CA 1.392 56.237 54.840 0.009 0.000 0.747 26 L CB -0.309 41.755 42.059 0.007 0.000 0.896 26 L HN 0.532 nan 8.230 nan 0.000 0.432 27 T N -0.139 114.420 114.554 0.008 0.000 2.684 27 T HA -0.196 4.161 4.350 0.011 0.000 0.267 27 T C 1.795 176.499 174.700 0.007 0.000 1.036 27 T CA 1.474 63.578 62.100 0.007 0.000 1.148 27 T CB -0.254 68.618 68.868 0.007 0.000 0.863 27 T HN 0.448 nan 8.240 nan 0.000 0.436 28 A N 0.584 123.409 122.820 0.008 0.000 2.206 28 A HA 0.114 4.440 4.320 0.011 0.000 0.211 28 A C 0.857 178.447 177.584 0.008 0.000 1.158 28 A CA 0.115 52.157 52.037 0.008 0.000 0.761 28 A CB -0.151 18.855 19.000 0.009 0.000 0.801 28 A HN 0.327 nan 8.150 nan 0.000 0.473 29 R N -1.633 118.872 120.500 0.009 0.000 3.422 29 R HA -0.163 4.183 4.340 0.011 0.000 0.267 29 R C -0.575 175.731 176.300 0.010 0.000 1.074 29 R CA 0.958 57.063 56.100 0.009 0.000 0.718 29 R CB -2.714 27.591 30.300 0.008 0.000 1.157 29 R HN 0.641 nan 8.270 nan 0.000 0.440 30 M N 1.080 120.687 119.600 0.011 0.000 2.261 30 M HA 0.115 4.601 4.480 0.011 0.000 0.349 30 M C 0.980 177.288 176.300 0.013 0.000 1.305 30 M CA 0.187 55.494 55.300 0.011 0.000 1.240 30 M CB 1.051 33.658 32.600 0.012 0.000 1.394 30 M HN 0.064 nan 8.290 nan 0.000 0.438 31 Q N 4.609 124.417 119.800 0.013 0.000 2.330 31 Q HA 0.198 4.544 4.340 0.011 0.000 0.279 31 Q C -2.174 173.837 176.000 0.019 0.000 1.024 31 Q CA -1.304 54.508 55.803 0.015 0.000 0.900 31 Q CB 0.671 29.417 28.738 0.015 0.000 1.221 31 Q HN 0.297 nan 8.270 nan 0.000 0.396 32 P HA 0.122 nan 4.420 nan 0.000 0.269 32 P C -0.938 176.380 177.300 0.030 0.000 1.217 32 P CA 0.191 63.307 63.100 0.026 0.000 0.783 32 P CB 0.509 32.222 31.700 0.021 0.000 0.898 33 I N -0.168 120.426 120.570 0.040 0.000 2.913 33 I HA 0.162 4.338 4.170 0.011 0.000 0.302 33 I C 0.925 177.076 176.117 0.057 0.000 1.246 33 I CA -0.425 60.905 61.300 0.050 0.000 1.010 33 I CB 2.071 40.102 38.000 0.052 0.000 1.259 33 I HN 0.156 nan 8.210 nan 0.000 0.434 34 S N 2.055 117.795 115.700 0.066 0.000 2.368 34 S HA -0.059 4.417 4.470 0.011 0.000 0.224 34 S C 0.039 174.580 174.600 -0.098 0.000 1.029 34 S CA 1.241 59.447 58.200 0.011 0.000 0.988 34 S CB -0.274 62.967 63.200 0.067 0.000 0.838 34 S HN 0.567 nan 8.310 nan 0.000 0.462 35 H N 0.390 119.457 119.070 -0.005 0.000 2.661 35 H HA 0.382 4.944 4.556 0.011 0.000 0.290 35 H C -0.101 175.292 175.328 0.109 0.000 1.082 35 H CA -0.628 55.418 56.048 -0.004 0.000 1.234 35 H CB 0.146 29.811 29.762 -0.161 0.000 1.387 35 H HN 0.339 nan 8.280 nan 0.000 0.476 36 H N 2.220 121.373 119.070 0.139 0.000 2.929 36 H HA -0.056 4.506 4.556 0.010 0.000 0.358 36 H C 0.987 176.362 175.328 0.078 0.000 1.111 36 H CA 0.047 56.135 56.048 0.067 0.000 1.409 36 H CB 0.893 30.654 29.762 -0.001 0.000 1.373 36 H HN 0.669 nan 8.280 nan 0.000 0.610 37 L N 2.935 123.969 121.223 -0.315 0.000 2.051 37 L HA -0.247 4.100 4.340 0.011 0.000 0.214 37 L C 2.124 179.090 176.870 0.161 0.000 1.076 37 L CA 1.712 56.488 54.840 -0.105 0.000 0.758 37 L CB -0.524 41.362 42.059 -0.288 0.000 0.890 37 L HN 0.805 nan 8.230 nan 0.000 0.433 38 A N -2.137 120.835 122.820 0.253 0.000 2.370 38 A HA 0.010 4.337 4.320 0.011 0.000 0.238 38 A C 0.414 178.093 177.584 0.159 0.000 1.289 38 A CA -0.334 51.785 52.037 0.137 0.000 0.885 38 A CB -0.974 17.606 19.000 -0.700 0.000 0.961 38 A HN 0.436 nan 8.150 nan 0.000 0.499 39 H N 1.308 120.478 119.070 0.167 0.000 3.115 39 H HA 0.052 4.614 4.556 0.010 0.000 0.324 39 H C -1.163 174.248 175.328 0.137 0.000 1.007 39 H CA -0.126 55.992 56.048 0.117 0.000 1.385 39 H CB 1.015 30.882 29.762 0.175 0.000 1.351 39 H HN 0.131 nan 8.280 nan 0.000 0.592 40 P HA -0.144 nan 4.420 nan 0.000 0.228 40 P C 0.584 178.084 177.300 0.333 0.000 1.151 40 P CA 0.890 64.070 63.100 0.133 0.000 0.770 40 P CB 0.382 32.118 31.700 0.059 0.000 0.786 41 D N -0.348 120.399 120.400 0.578 0.000 2.182 41 D HA -0.111 4.536 4.640 0.011 0.000 0.201 41 D C 1.859 178.310 176.300 0.251 0.000 0.986 41 D CA 1.310 55.559 54.000 0.415 0.000 0.847 41 D CB -0.828 40.210 40.800 0.396 0.000 0.942 41 D HN 0.156 nan 8.370 nan 0.000 0.467 42 T N 0.570 115.267 114.554 0.238 0.000 2.652 42 T HA -0.137 4.220 4.350 0.011 0.000 0.267 42 T C 1.888 176.684 174.700 0.160 0.000 1.039 42 T CA 1.222 63.407 62.100 0.142 0.000 1.153 42 T CB -0.042 68.900 68.868 0.122 0.000 0.863 42 T HN 0.189 nan 8.240 nan 0.000 0.428 43 K N 0.418 120.953 120.400 0.225 0.000 2.155 43 K HA 0.066 4.392 4.320 0.011 0.000 0.203 43 K C 2.500 179.199 176.600 0.166 0.000 1.052 43 K CA 0.563 57.023 56.287 0.288 0.000 0.948 43 K CB -0.058 32.654 32.500 0.354 0.000 0.728 43 K HN 0.158 nan 8.250 nan 0.000 0.448 44 R N 1.464 122.081 120.500 0.196 0.000 2.092 44 R HA -0.080 4.266 4.340 0.011 0.000 0.231 44 R C 1.963 178.220 176.300 -0.072 0.000 1.119 44 R CA 1.254 57.354 56.100 -0.001 0.000 0.970 44 R CB 0.063 30.523 30.300 0.268 0.000 0.864 44 R HN 0.059 nan 8.270 nan 0.000 0.440 45 R N -0.489 120.026 120.500 0.025 0.000 2.120 45 R HA -0.135 4.211 4.340 0.011 0.000 0.234 45 R C 2.146 178.422 176.300 -0.040 0.000 1.123 45 R CA 1.673 57.760 56.100 -0.021 0.000 0.975 45 R CB -0.411 29.884 30.300 -0.008 0.000 0.866 45 R HN 0.323 nan 8.270 nan 0.000 0.446 46 F N 0.556 120.391 119.950 -0.193 0.000 2.075 46 F HA -0.317 4.218 4.527 0.013 0.000 0.297 46 F C 2.586 178.229 175.800 -0.263 0.000 1.113 46 F CA 1.747 59.603 58.000 -0.240 0.000 1.218 46 F CB -0.132 38.773 39.000 -0.158 0.000 0.984 46 F HN 0.122 nan 8.300 nan 0.000 0.472 47 H N 0.474 119.236 119.070 -0.515 0.000 2.319 47 H HA -0.179 4.383 4.556 0.010 0.000 0.299 47 H C 2.002 177.066 175.328 -0.439 0.000 1.092 47 H CA 2.473 58.112 56.048 -0.680 0.000 1.302 47 H CB -0.418 28.471 29.762 -1.454 0.000 1.373 47 H HN 0.417 nan 8.280 nan 0.000 0.497 48 E N -0.490 119.411 120.200 -0.499 0.000 2.150 48 E HA -0.124 4.232 4.350 0.011 0.000 0.193 48 E C 2.128 178.533 176.600 -0.326 0.000 0.985 48 E CA 0.847 57.000 56.400 -0.413 0.000 0.814 48 E CB -0.068 29.514 29.700 -0.196 0.000 0.752 48 E HN 0.360 nan 8.360 nan 0.000 0.466 49 L N 0.755 121.817 121.223 -0.268 0.000 2.056 49 L HA -0.135 4.211 4.340 0.011 0.000 0.207 49 L C 2.215 178.937 176.870 -0.247 0.000 1.078 49 L CA 1.266 55.958 54.840 -0.247 0.000 0.749 49 L CB -0.358 41.510 42.059 -0.318 0.000 0.901 49 L HN -0.084 nan 8.230 nan 0.000 0.433 50 V N -0.920 118.824 119.914 -0.284 0.000 2.324 50 V HA -0.406 3.720 4.120 0.011 0.000 0.250 50 V C 2.602 178.488 176.094 -0.347 0.000 1.060 50 V CA 2.066 64.162 62.300 -0.340 0.000 1.042 50 V CB -0.868 30.639 31.823 -0.526 0.000 0.650 50 V HN 0.646 nan 8.190 nan 0.000 0.450 51 C N -0.124 118.929 119.300 -0.412 0.000 2.489 51 C HA 0.036 4.503 4.460 0.011 0.000 0.279 51 C C 3.064 177.934 174.990 -0.200 0.000 1.266 51 C CA 0.588 59.418 59.018 -0.314 0.000 1.707 51 C CB -1.313 26.206 27.740 -0.368 0.000 2.059 51 C HN 0.620 nan 8.230 nan 0.000 0.481 52 A N 1.318 124.026 122.820 -0.187 0.000 2.015 52 A HA -0.119 4.207 4.320 0.011 0.000 0.219 52 A C 2.235 179.768 177.584 -0.085 0.000 1.163 52 A CA 2.011 53.978 52.037 -0.116 0.000 0.646 52 A CB -0.728 18.212 19.000 -0.100 0.000 0.806 52 A HN 0.718 nan 8.150 nan 0.000 0.448 53 S N -1.858 113.783 115.700 -0.098 0.000 2.481 53 S HA 0.291 4.768 4.470 0.011 0.000 0.231 53 S C 1.582 176.160 174.600 -0.037 0.000 0.996 53 S CA 1.264 59.431 58.200 -0.056 0.000 0.942 53 S CB -0.398 62.763 63.200 -0.064 0.000 0.768 53 S HN 1.893 nan 8.310 nan 0.000 0.520 54 G N 0.668 109.433 108.800 -0.058 0.000 2.175 54 G HA2 -0.351 3.616 3.960 0.011 0.000 0.244 54 G HA3 -0.351 3.616 3.960 0.011 0.000 0.244 54 G C 0.725 175.625 174.900 0.001 0.000 0.982 54 G CA 0.563 45.643 45.100 -0.033 0.000 0.641 54 G HN 0.515 nan 8.290 nan 0.000 0.527 55 Q N 0.203 119.988 119.800 -0.025 0.000 2.135 55 Q HA 0.046 4.393 4.340 0.011 0.000 0.204 55 Q C 2.368 178.326 176.000 -0.071 0.000 0.981 55 Q CA 2.073 57.875 55.803 -0.002 0.000 0.856 55 Q CB -0.367 28.313 28.738 -0.097 0.000 0.902 55 Q HN 0.774 nan 8.270 nan 0.000 0.425 56 I N 0.985 121.447 120.570 -0.181 0.000 2.399 56 I HA -0.243 3.933 4.170 0.011 0.000 0.254 56 I C 1.280 177.306 176.117 -0.152 0.000 1.146 56 I CA 1.541 62.714 61.300 -0.211 0.000 1.412 56 I CB -0.224 37.653 38.000 -0.205 0.000 1.076 56 I HN 0.293 nan 8.210 nan 0.000 0.432 57 E N -1.151 118.930 120.200 -0.198 0.000 2.409 57 E HA -0.181 4.175 4.350 0.011 0.000 0.198 57 E C 0.913 177.219 176.600 -0.490 0.000 1.024 57 E CA 0.842 57.040 56.400 -0.338 0.000 0.861 57 E CB -0.164 29.274 29.700 -0.438 0.000 0.788 57 E HN 0.694 nan 8.360 nan 0.000 0.521 58 H N -0.909 118.133 119.070 -0.047 0.000 2.592 58 H HA 0.274 4.837 4.556 0.012 0.000 0.279 58 H C -0.234 175.084 175.328 -0.016 0.000 1.089 58 H CA -0.196 55.836 56.048 -0.028 0.000 1.150 58 H CB 0.495 30.238 29.762 -0.032 0.000 1.575 58 H HN -0.082 nan 8.280 nan 0.000 0.547 59 L N 0.093 121.332 121.223 0.027 0.000 2.333 59 L HA 0.433 4.779 4.340 0.011 0.000 0.269 59 L C -0.136 176.775 176.870 0.068 0.000 1.010 59 L CA -0.825 54.047 54.840 0.053 0.000 0.818 59 L CB 2.270 44.329 42.059 -0.000 0.000 1.306 59 L HN -0.058 nan 8.230 nan 0.000 0.430 60 T N 2.294 116.914 114.554 0.110 0.000 2.781 60 T HA 0.307 4.663 4.350 0.011 0.000 0.305 60 T C -2.508 172.280 174.700 0.146 0.000 1.001 60 T CA -1.204 60.956 62.100 0.101 0.000 0.950 60 T CB 0.920 69.841 68.868 0.087 0.000 0.955 60 T HN 0.203 nan 8.240 nan 0.000 0.471 61 P HA 0.152 nan 4.420 nan 0.000 0.263 61 P C -0.650 176.710 177.300 0.100 0.000 1.195 61 P CA -0.228 62.975 63.100 0.171 0.000 0.762 61 P CB 0.327 32.115 31.700 0.146 0.000 0.799 62 I N 2.710 123.328 120.570 0.080 0.000 2.389 62 I HA 0.380 4.556 4.170 0.011 0.000 0.288 62 I C 0.550 176.659 176.117 -0.014 0.000 0.999 62 I CA -1.407 59.911 61.300 0.031 0.000 1.129 62 I CB 1.109 39.130 38.000 0.036 0.000 1.288 62 I HN 0.286 nan 8.210 nan 0.000 0.444 63 A N 5.219 128.019 122.820 -0.033 0.000 2.440 63 A HA 0.646 4.972 4.320 0.011 0.000 0.251 63 A C 0.605 178.136 177.584 -0.088 0.000 1.089 63 A CA -0.300 51.691 52.037 -0.077 0.000 0.779 63 A CB 0.304 19.259 19.000 -0.075 0.000 1.022 63 A HN 0.880 nan 8.150 nan 0.000 0.492 64 A N 2.036 124.778 122.820 -0.131 0.000 2.445 64 A HA 0.515 4.841 4.320 0.011 0.000 0.242 64 A C -0.038 177.482 177.584 -0.108 0.000 1.075 64 A CA -0.061 51.912 52.037 -0.106 0.000 0.777 64 A CB 0.139 19.064 19.000 -0.125 0.000 1.013 64 A HN 1.142 nan 8.150 nan 0.000 0.493 65 V N 1.748 121.610 119.914 -0.087 0.000 2.540 65 V HA 0.539 4.666 4.120 0.011 0.000 0.302 65 V C 0.713 176.762 176.094 -0.075 0.000 1.035 65 V CA -0.372 61.878 62.300 -0.084 0.000 0.873 65 V CB 1.406 33.182 31.823 -0.079 0.000 0.992 65 V HN 1.306 nan 8.190 nan 0.000 0.428 66 A N 4.024 126.802 122.820 -0.069 0.000 2.580 66 A HA 0.483 4.809 4.320 0.011 0.000 0.244 66 A C 0.888 178.438 177.584 -0.056 0.000 1.045 66 A CA 0.637 52.641 52.037 -0.054 0.000 0.761 66 A CB -0.105 18.864 19.000 -0.051 0.000 0.962 66 A HN 1.552 nan 8.150 nan 0.000 0.512 67 A N 3.844 126.632 122.820 -0.053 0.000 2.520 67 A HA 0.490 4.816 4.320 0.011 0.000 0.245 67 A C 1.109 178.646 177.584 -0.078 0.000 1.072 67 A CA 0.481 52.473 52.037 -0.074 0.000 0.761 67 A CB -0.448 18.499 19.000 -0.088 0.000 1.004 67 A HN 1.610 nan 8.150 nan 0.000 0.499 68 T N 0.293 114.807 114.554 -0.066 0.000 2.788 68 T HA 0.235 4.591 4.350 0.011 0.000 0.287 68 T C 0.520 175.167 174.700 -0.087 0.000 1.007 68 T CA 0.094 62.159 62.100 -0.058 0.000 1.005 68 T CB 0.525 69.376 68.868 -0.029 0.000 1.012 68 T HN 0.529 nan 8.240 nan 0.000 0.530 69 D N 0.941 121.294 120.400 -0.077 0.000 2.133 69 D HA -0.094 4.552 4.640 0.011 0.000 0.195 69 D C 2.378 178.635 176.300 -0.071 0.000 0.997 69 D CA 1.871 55.817 54.000 -0.090 0.000 0.840 69 D CB -0.925 39.840 40.800 -0.058 0.000 0.947 69 D HN 0.749 nan 8.370 nan 0.000 0.452 70 A N 1.265 124.064 122.820 -0.035 0.000 1.892 70 A HA -0.238 4.088 4.320 0.011 0.000 0.218 70 A C 1.869 179.452 177.584 -0.000 0.000 1.188 70 A CA 2.055 54.087 52.037 -0.008 0.000 0.631 70 A CB -0.593 18.413 19.000 0.011 0.000 0.822 70 A HN 0.075 nan 8.150 nan 0.000 0.447 71 D N -0.047 120.352 120.400 -0.002 0.000 2.104 71 D HA -0.149 4.497 4.640 0.011 0.000 0.194 71 D C 1.851 178.134 176.300 -0.029 0.000 0.994 71 D CA 1.447 55.457 54.000 0.017 0.000 0.830 71 D CB -0.393 40.399 40.800 -0.013 0.000 0.959 71 D HN 0.548 nan 8.370 nan 0.000 0.452 72 I N 0.508 121.003 120.570 -0.125 0.000 2.315 72 I HA -0.197 3.979 4.170 0.011 0.000 0.248 72 I C 2.271 178.340 176.117 -0.080 0.000 1.117 72 I CA 0.546 61.717 61.300 -0.216 0.000 1.404 72 I CB -0.065 37.608 38.000 -0.545 0.000 1.071 72 I HN -0.036 nan 8.210 nan 0.000 0.419 73 L N 0.191 121.380 121.223 -0.056 0.000 2.376 73 L HA -0.078 4.268 4.340 0.011 0.000 0.219 73 L C 2.402 179.281 176.870 0.015 0.000 1.133 73 L CA 0.696 55.529 54.840 -0.012 0.000 0.816 73 L CB -0.445 41.610 42.059 -0.006 0.000 0.933 73 L HN 0.190 nan 8.230 nan 0.000 0.449 74 R N -0.207 120.303 120.500 0.017 0.000 2.280 74 R HA -0.019 4.328 4.340 0.011 0.000 0.207 74 R C 1.819 178.101 176.300 -0.030 0.000 1.043 74 R CA 1.004 57.125 56.100 0.036 0.000 1.006 74 R CB -0.017 30.339 30.300 0.093 0.000 0.885 74 R HN 0.322 nan 8.270 nan 0.000 0.467 75 A N -0.512 122.250 122.820 -0.096 0.000 2.141 75 A HA 0.183 4.510 4.320 0.011 0.000 0.201 75 A C 0.276 177.586 177.584 -0.457 0.000 1.344 75 A CA 0.004 51.849 52.037 -0.320 0.000 0.971 75 A CB 0.424 19.213 19.000 -0.351 0.000 1.035 75 A HN 0.097 nan 8.150 nan 0.000 0.480 76 H N -0.196 118.793 119.070 -0.135 0.000 2.855 76 H HA 0.484 5.046 4.556 0.010 0.000 0.363 76 H C -0.159 174.848 175.328 -0.535 0.000 1.185 76 H CA -0.027 55.769 56.048 -0.420 0.000 1.174 76 H CB 1.674 31.422 29.762 -0.023 0.000 1.857 76 H HN 0.329 nan 8.280 nan 0.000 0.565 77 S N -0.154 115.257 115.700 -0.482 0.000 2.614 77 S HA 0.325 4.801 4.470 0.011 0.000 0.265 77 S C 1.279 175.883 174.600 0.006 0.000 1.303 77 S CA -0.118 57.989 58.200 -0.155 0.000 1.000 77 S CB 1.336 64.496 63.200 -0.067 0.000 0.935 77 S HN 0.739 nan 8.310 nan 0.000 0.551 78 A N 1.942 124.777 122.820 0.024 0.000 1.930 78 A HA 0.225 4.552 4.320 0.011 0.000 0.217 78 A C 2.375 179.973 177.584 0.024 0.000 1.175 78 A CA 1.530 53.578 52.037 0.018 0.000 0.627 78 A CB -1.617 17.395 19.000 0.020 0.000 0.815 78 A HN 1.342 nan 8.150 nan 0.000 0.443 79 A N -0.678 122.167 122.820 0.043 0.000 1.902 79 A HA -0.182 4.145 4.320 0.011 0.000 0.217 79 A C 2.057 179.682 177.584 0.069 0.000 1.181 79 A CA 2.167 54.232 52.037 0.047 0.000 0.623 79 A CB -0.874 18.157 19.000 0.052 0.000 0.818 79 A HN 0.749 nan 8.150 nan 0.000 0.443 80 H N -0.400 118.666 119.070 -0.007 0.000 2.293 80 H HA -0.099 4.463 4.556 0.010 0.000 0.300 80 H C 1.784 177.138 175.328 0.042 0.000 1.082 80 H CA 1.803 57.848 56.048 -0.006 0.000 1.308 80 H CB -0.492 29.253 29.762 -0.029 0.000 1.375 80 H HN 0.275 nan 8.280 nan 0.000 0.495 81 L N 0.905 122.054 121.223 -0.124 0.000 2.013 81 L HA -0.169 4.178 4.340 0.011 0.000 0.212 81 L C 1.987 178.815 176.870 -0.070 0.000 1.073 81 L CA 2.024 56.805 54.840 -0.098 0.000 0.753 81 L CB -0.731 41.289 42.059 -0.063 0.000 0.890 81 L HN 0.304 nan 8.230 nan 0.000 0.432 82 E N -0.386 119.789 120.200 -0.042 0.000 2.110 82 E HA -0.250 4.106 4.350 0.011 0.000 0.193 82 E C 2.080 178.658 176.600 -0.036 0.000 0.988 82 E CA 1.310 57.694 56.400 -0.028 0.000 0.804 82 E CB -0.716 28.978 29.700 -0.011 0.000 0.745 82 E HN 0.701 nan 8.360 nan 0.000 0.458 83 N N -0.104 118.572 118.700 -0.041 0.000 2.244 83 N HA -0.117 4.629 4.740 0.011 0.000 0.183 83 N C 1.603 177.072 175.510 -0.068 0.000 1.016 83 N CA 0.787 53.817 53.050 -0.033 0.000 0.866 83 N CB 0.111 38.605 38.487 0.011 0.000 0.980 83 N HN 0.054 nan 8.380 nan 0.000 0.430 84 M N 1.166 120.682 119.600 -0.139 0.000 2.200 84 M HA -0.060 4.426 4.480 0.011 0.000 0.265 84 M C 1.826 178.075 176.300 -0.084 0.000 1.066 84 M CA 1.144 56.346 55.300 -0.164 0.000 1.127 84 M CB -0.860 31.549 32.600 -0.318 0.000 1.379 84 M HN 0.053 nan 8.290 nan 0.000 0.420 85 K N -0.101 120.269 120.400 -0.050 0.000 2.074 85 K HA -0.190 4.136 4.320 0.011 0.000 0.209 85 K C 2.196 178.779 176.600 -0.028 0.000 1.048 85 K CA 1.413 57.683 56.287 -0.028 0.000 0.926 85 K CB -0.290 32.199 32.500 -0.018 0.000 0.713 85 K HN 0.265 nan 8.250 nan 0.000 0.444 86 R N 1.003 121.485 120.500 -0.030 0.000 2.073 86 R HA -0.127 4.219 4.340 0.011 0.000 0.234 86 R C 2.080 178.365 176.300 -0.025 0.000 1.134 86 R CA 1.420 57.506 56.100 -0.023 0.000 0.952 86 R CB -0.170 30.119 30.300 -0.018 0.000 0.850 86 R HN 0.005 nan 8.270 nan 0.000 0.433 87 V N 0.203 120.096 119.914 -0.034 0.000 2.358 87 V HA -0.185 3.941 4.120 0.011 0.000 0.246 87 V C 2.343 178.416 176.094 -0.034 0.000 1.047 87 V CA 1.969 64.249 62.300 -0.034 0.000 1.035 87 V CB -0.368 31.430 31.823 -0.043 0.000 0.658 87 V HN 0.426 nan 8.190 nan 0.000 0.452 88 S N 0.505 116.181 115.700 -0.040 0.000 2.399 88 S HA -0.193 4.284 4.470 0.011 0.000 0.231 88 S C 1.806 176.393 174.600 -0.021 0.000 1.022 88 S CA 1.518 59.699 58.200 -0.033 0.000 0.983 88 S CB -0.459 62.722 63.200 -0.032 0.000 0.803 88 S HN 0.641 nan 8.310 nan 0.000 0.480 89 N N 0.846 119.534 118.700 -0.019 0.000 2.512 89 N HA 0.066 4.813 4.740 0.011 0.000 0.183 89 N C -0.186 175.316 175.510 -0.013 0.000 1.073 89 N CA 0.214 53.255 53.050 -0.014 0.000 0.911 89 N CB -0.416 38.063 38.487 -0.013 0.000 0.964 89 N HN 0.291 nan 8.380 nan 0.000 0.447 90 L N 2.297 123.511 121.223 -0.015 0.000 2.456 90 L HA 0.090 4.436 4.340 0.011 0.000 0.272 90 L C -0.864 175.998 176.870 -0.012 0.000 1.189 90 L CA -1.090 53.742 54.840 -0.013 0.000 0.846 90 L CB -0.016 42.034 42.059 -0.015 0.000 1.111 90 L HN -0.002 nan 8.230 nan 0.000 0.475 91 P HA -0.114 nan 4.420 nan 0.000 0.220 91 P C 0.722 178.015 177.300 -0.012 0.000 1.148 91 P CA 1.364 64.458 63.100 -0.010 0.000 0.803 91 P CB 0.116 31.811 31.700 -0.009 0.000 0.782 92 T N -5.524 109.022 114.554 -0.014 0.000 3.145 92 T HA 0.533 4.889 4.350 0.011 0.000 0.281 92 T C 0.933 175.620 174.700 -0.022 0.000 1.003 92 T CA 0.155 62.244 62.100 -0.018 0.000 0.901 92 T CB -0.073 68.784 68.868 -0.018 0.000 1.112 92 T HN 0.337 nan 8.240 nan 0.000 0.535 93 G N 0.273 109.061 108.800 -0.021 0.000 2.553 93 G HA2 0.346 4.312 3.960 0.011 0.000 0.242 93 G HA3 0.346 4.312 3.960 0.011 0.000 0.242 93 G C 0.027 174.912 174.900 -0.024 0.000 1.277 93 G CA -0.449 44.636 45.100 -0.025 0.000 0.910 93 G HN 1.823 nan 8.290 nan 0.000 0.576 94 G N -1.494 107.289 108.800 -0.028 0.000 2.338 94 G HA2 0.581 4.548 3.960 0.011 0.000 0.295 94 G HA3 0.581 4.548 3.960 0.011 0.000 0.295 94 G C -1.210 173.677 174.900 -0.022 0.000 1.461 94 G CA 0.607 45.694 45.100 -0.022 0.000 0.817 94 G HN 1.305 nan 8.290 nan 0.000 0.556 95 D N -0.962 119.431 120.400 -0.011 0.000 2.399 95 D HA 0.414 5.060 4.640 0.011 0.000 0.241 95 D C 1.376 177.672 176.300 -0.007 0.000 1.133 95 D CA 0.830 54.828 54.000 -0.003 0.000 0.890 95 D CB 1.441 42.246 40.800 0.009 0.000 1.201 95 D HN 0.373 nan 8.370 nan 0.000 0.432 96 T N 0.971 115.522 114.554 -0.005 0.000 3.086 96 T HA 0.382 4.739 4.350 0.011 0.000 0.250 96 T C 0.965 175.667 174.700 0.004 0.000 1.074 96 T CA 0.788 62.883 62.100 -0.008 0.000 0.988 96 T CB -0.283 68.573 68.868 -0.020 0.000 0.988 96 T HN 0.650 nan 8.240 nan 0.000 0.530 97 G N 1.511 110.314 108.800 0.005 0.000 4.172 97 G HA2 -0.119 3.847 3.960 0.011 0.000 0.204 97 G HA3 -0.119 3.847 3.960 0.011 0.000 0.204 97 G C 0.615 175.517 174.900 0.003 0.000 1.256 97 G CA 0.535 45.637 45.100 0.004 0.000 0.886 97 G HN 0.526 nan 8.290 nan 0.000 0.344 98 D N 1.382 121.786 120.400 0.006 0.000 2.340 98 D HA 0.359 5.005 4.640 0.011 0.000 0.220 98 D C 1.828 178.140 176.300 0.019 0.000 1.039 98 D CA 1.067 55.072 54.000 0.009 0.000 0.866 98 D CB -0.217 40.589 40.800 0.010 0.000 0.913 98 D HN 1.667 nan 8.370 nan 0.000 0.523 99 G N 1.165 109.981 108.800 0.025 0.000 2.176 99 G HA2 -0.299 3.667 3.960 0.011 0.000 0.253 99 G HA3 -0.299 3.667 3.960 0.011 0.000 0.253 99 G C 0.833 175.769 174.900 0.060 0.000 0.979 99 G CA 0.454 45.574 45.100 0.034 0.000 0.641 99 G HN 0.683 nan 8.290 nan 0.000 0.530 100 I N -2.893 117.722 120.570 0.075 0.000 4.225 100 I HA 0.479 4.655 4.170 0.011 0.000 0.327 100 I C 0.174 176.447 176.117 0.259 0.000 1.422 100 I CA 0.119 61.519 61.300 0.166 0.000 1.150 100 I CB 1.096 39.161 38.000 0.109 0.000 1.192 100 I HN -0.078 nan 8.210 nan 0.000 0.440 101 T N 2.897 117.538 114.554 0.145 0.000 3.331 101 T HA 0.412 4.768 4.350 0.011 0.000 0.381 101 T C -0.254 174.471 174.700 0.041 0.000 1.656 101 T CA -0.246 61.940 62.100 0.143 0.000 1.453 101 T CB 0.429 69.358 68.868 0.100 0.000 1.066 101 T HN 0.185 nan 8.240 nan 0.000 0.655 102 M N 3.577 123.171 119.600 -0.010 0.000 2.219 102 M HA 0.472 4.958 4.480 0.011 0.000 0.353 102 M C -0.376 175.883 176.300 -0.069 0.000 1.304 102 M CA -0.213 55.052 55.300 -0.059 0.000 1.115 102 M CB 0.266 32.796 32.600 -0.116 0.000 1.664 102 M HN 0.554 nan 8.290 nan 0.000 0.459 103 M N 5.082 124.646 119.600 -0.060 0.000 2.190 103 M HA 0.626 5.112 4.480 0.011 0.000 0.312 103 M C -0.057 176.210 176.300 -0.055 0.000 0.990 103 M CA -0.380 54.880 55.300 -0.065 0.000 0.927 103 M CB 1.313 33.868 32.600 -0.074 0.000 1.571 103 M HN 0.827 nan 8.290 nan 0.000 0.427 104 G N 2.807 111.576 108.800 -0.053 0.000 2.684 104 G HA2 0.059 4.026 3.960 0.011 0.000 0.255 104 G HA3 0.059 4.026 3.960 0.011 0.000 0.255 104 G C -0.436 174.448 174.900 -0.027 0.000 1.219 104 G CA -0.626 44.450 45.100 -0.040 0.000 0.901 104 G HN 0.874 nan 8.290 nan 0.000 0.548 105 N N -0.571 118.117 118.700 -0.019 0.000 2.412 105 N HA 0.317 5.063 4.740 0.011 0.000 0.258 105 N C 1.434 176.943 175.510 -0.001 0.000 1.236 105 N CA 1.632 54.675 53.050 -0.011 0.000 0.882 105 N CB 0.370 38.852 38.487 -0.007 0.000 1.066 105 N HN 1.194 nan 8.380 nan 0.000 0.465 106 G N 1.850 110.647 108.800 -0.005 0.000 2.168 106 G HA2 -0.274 3.692 3.960 0.011 0.000 0.263 106 G HA3 -0.274 3.692 3.960 0.011 0.000 0.263 106 G C 0.993 175.890 174.900 -0.005 0.000 0.977 106 G CA 0.605 45.704 45.100 -0.002 0.000 0.659 106 G HN 0.917 nan 8.290 nan 0.000 0.533 107 G N 0.050 108.842 108.800 -0.014 0.000 2.498 107 G HA2 0.089 4.055 3.960 0.011 0.000 0.219 107 G HA3 0.089 4.055 3.960 0.011 0.000 0.219 107 G C 1.656 176.540 174.900 -0.027 0.000 1.119 107 G CA 1.389 46.476 45.100 -0.021 0.000 0.766 107 G HN 0.917 nan 8.290 nan 0.000 0.552 108 L N 0.773 121.981 121.223 -0.024 0.000 2.127 108 L HA -0.069 4.277 4.340 0.011 0.000 0.211 108 L C 2.544 179.434 176.870 0.034 0.000 1.089 108 L CA 2.415 57.258 54.840 0.005 0.000 0.757 108 L CB -0.392 41.677 42.059 0.018 0.000 0.899 108 L HN 0.458 nan 8.230 nan 0.000 0.434 109 E N -0.361 119.842 120.200 0.006 0.000 2.077 109 E HA -0.242 4.114 4.350 0.011 0.000 0.193 109 E C 2.176 178.770 176.600 -0.009 0.000 0.989 109 E CA 1.850 58.245 56.400 -0.010 0.000 0.800 109 E CB -0.201 29.479 29.700 -0.034 0.000 0.746 109 E HN 0.670 nan 8.360 nan 0.000 0.452 110 I N 0.833 121.399 120.570 -0.006 0.000 2.252 110 I HA -0.186 3.990 4.170 0.011 0.000 0.245 110 I C 2.652 178.805 176.117 0.059 0.000 1.102 110 I CA 0.858 62.167 61.300 0.014 0.000 1.385 110 I CB -0.427 37.582 38.000 0.015 0.000 1.064 110 I HN 0.137 nan 8.210 nan 0.000 0.414 111 A N 1.163 124.009 122.820 0.045 0.000 1.940 111 A HA -0.194 4.132 4.320 0.011 0.000 0.219 111 A C 2.439 180.157 177.584 0.224 0.000 1.176 111 A CA 1.497 53.585 52.037 0.085 0.000 0.631 111 A CB -0.555 18.416 19.000 -0.048 0.000 0.814 111 A HN 0.330 nan 8.150 nan 0.000 0.446 112 R N -0.801 119.807 120.500 0.180 0.000 2.092 112 R HA 0.032 4.378 4.340 0.011 0.000 0.231 112 R C 1.976 178.314 176.300 0.063 0.000 1.119 112 R CA 1.274 57.442 56.100 0.114 0.000 0.970 112 R CB -0.430 29.901 30.300 0.051 0.000 0.864 112 R HN 0.500 nan 8.270 nan 0.000 0.440 113 L N 0.011 121.270 121.223 0.061 0.000 2.141 113 L HA -0.134 4.212 4.340 0.011 0.000 0.209 113 L C 2.609 179.596 176.870 0.195 0.000 1.094 113 L CA 0.906 55.785 54.840 0.065 0.000 0.763 113 L CB -0.322 41.725 42.059 -0.019 0.000 0.908 113 L HN 0.187 nan 8.230 nan 0.000 0.437 114 S N -0.206 115.597 115.700 0.172 0.000 2.345 114 S HA -0.135 4.341 4.470 0.011 0.000 0.219 114 S C 2.171 176.764 174.600 -0.012 0.000 1.031 114 S CA 1.188 59.373 58.200 -0.026 0.000 0.984 114 S CB -0.075 63.044 63.200 -0.136 0.000 0.874 114 S HN 0.411 nan 8.310 nan 0.000 0.451 115 A N 0.770 123.623 122.820 0.055 0.000 1.902 115 A HA 0.131 4.458 4.320 0.011 0.000 0.217 115 A C 2.328 179.908 177.584 -0.006 0.000 1.181 115 A CA 1.779 53.845 52.037 0.048 0.000 0.623 115 A CB -1.586 17.470 19.000 0.093 0.000 0.818 115 A HN 0.643 nan 8.150 nan 0.000 0.443 116 G N -0.737 108.057 108.800 -0.010 0.000 2.443 116 G HA2 0.078 4.045 3.960 0.011 0.000 0.219 116 G HA3 0.078 4.045 3.960 0.011 0.000 0.219 116 G C 1.440 176.307 174.900 -0.055 0.000 1.131 116 G CA 1.189 46.255 45.100 -0.055 0.000 0.775 116 G HN 0.682 nan 8.290 nan 0.000 0.547 117 G N 1.195 109.995 108.800 0.001 0.000 2.421 117 G HA2 0.024 3.990 3.960 0.011 0.000 0.216 117 G HA3 0.024 3.990 3.960 0.011 0.000 0.216 117 G C 2.039 176.918 174.900 -0.034 0.000 1.171 117 G CA 1.494 46.601 45.100 0.012 0.000 0.775 117 G HN 0.587 nan 8.290 nan 0.000 0.543 118 A N 0.040 122.831 122.820 -0.048 0.000 1.902 118 A HA 0.090 4.416 4.320 0.011 0.000 0.217 118 A C 2.617 180.153 177.584 -0.080 0.000 1.181 118 A CA 1.850 53.851 52.037 -0.059 0.000 0.623 118 A CB -0.615 18.355 19.000 -0.050 0.000 0.818 118 A HN 0.258 nan 8.150 nan 0.000 0.443 119 V N 0.131 119.971 119.914 -0.124 0.000 2.295 119 V HA -0.210 3.916 4.120 0.011 0.000 0.246 119 V C 2.611 178.532 176.094 -0.288 0.000 1.049 119 V CA 2.103 64.245 62.300 -0.263 0.000 1.024 119 V CB -0.729 30.868 31.823 -0.378 0.000 0.648 119 V HN 0.498 nan 8.190 nan 0.000 0.447 120 E N -0.110 119.970 120.200 -0.201 0.000 2.058 120 E HA -0.232 4.124 4.350 0.011 0.000 0.194 120 E C 2.121 178.680 176.600 -0.070 0.000 0.997 120 E CA 1.336 57.653 56.400 -0.138 0.000 0.801 120 E CB -0.469 29.175 29.700 -0.094 0.000 0.746 120 E HN 0.459 nan 8.360 nan 0.000 0.450 121 L N 0.993 122.189 121.223 -0.044 0.000 2.046 121 L HA -0.126 4.220 4.340 0.011 0.000 0.208 121 L C 2.196 179.072 176.870 0.009 0.000 1.077 121 L CA 1.811 56.651 54.840 -0.000 0.000 0.747 121 L CB -0.804 41.263 42.059 0.014 0.000 0.896 121 L HN 0.035 nan 8.230 nan 0.000 0.432 122 T N -0.448 114.099 114.554 -0.012 0.000 2.708 122 T HA -0.238 4.119 4.350 0.011 0.000 0.266 122 T C 1.984 176.724 174.700 0.066 0.000 1.037 122 T CA 1.687 63.802 62.100 0.025 0.000 1.146 122 T CB -0.288 68.601 68.868 0.034 0.000 0.865 122 T HN 0.352 nan 8.240 nan 0.000 0.435 123 R N 0.909 121.438 120.500 0.048 0.000 2.096 123 R HA -0.085 4.261 4.340 0.011 0.000 0.240 123 R C 2.420 178.771 176.300 0.084 0.000 1.139 123 R CA 1.533 57.710 56.100 0.128 0.000 0.952 123 R CB -0.059 30.276 30.300 0.058 0.000 0.854 123 R HN 0.326 nan 8.270 nan 0.000 0.436 124 R N -0.520 120.008 120.500 0.048 0.000 2.240 124 R HA 0.026 4.372 4.340 0.011 0.000 0.203 124 R C 2.109 178.441 176.300 0.054 0.000 1.011 124 R CA 0.612 56.740 56.100 0.047 0.000 1.007 124 R CB 0.197 30.518 30.300 0.036 0.000 0.911 124 R HN 0.107 nan 8.270 nan 0.000 0.468 125 V N 0.773 120.722 119.914 0.058 0.000 2.453 125 V HA -0.137 3.989 4.120 0.011 0.000 0.247 125 V C 2.320 178.447 176.094 0.055 0.000 1.048 125 V CA 1.890 64.227 62.300 0.061 0.000 1.049 125 V CB -0.306 31.556 31.823 0.064 0.000 0.672 125 V HN 0.352 nan 8.190 nan 0.000 0.457 126 A N 0.837 123.692 122.820 0.060 0.000 1.929 126 A HA -0.184 4.142 4.320 0.011 0.000 0.216 126 A C 2.442 180.052 177.584 0.044 0.000 1.176 126 A CA 2.119 54.188 52.037 0.053 0.000 0.628 126 A CB -0.940 18.100 19.000 0.068 0.000 0.816 126 A HN 0.608 nan 8.150 nan 0.000 0.444 127 T N -3.714 110.870 114.554 0.050 0.000 3.025 127 T HA 0.262 4.618 4.350 0.011 0.000 0.270 127 T C 1.574 176.295 174.700 0.035 0.000 1.126 127 T CA 1.361 63.485 62.100 0.040 0.000 1.105 127 T CB -0.418 68.476 68.868 0.043 0.000 0.884 127 T HN 1.742 nan 8.240 nan 0.000 0.522 128 G N 1.024 109.847 108.800 0.039 0.000 2.176 128 G HA2 -0.336 3.630 3.960 0.011 0.000 0.253 128 G HA3 -0.336 3.630 3.960 0.011 0.000 0.253 128 G C 0.620 175.544 174.900 0.039 0.000 0.979 128 G CA 0.659 45.781 45.100 0.037 0.000 0.641 128 G HN 0.616 nan 8.290 nan 0.000 0.530 129 E N -0.319 119.905 120.200 0.041 0.000 2.085 129 E HA 0.012 4.368 4.350 0.011 0.000 0.194 129 E C 1.035 177.664 176.600 0.049 0.000 0.994 129 E CA 0.805 57.229 56.400 0.041 0.000 0.801 129 E CB -0.070 29.654 29.700 0.039 0.000 0.743 129 E HN 0.636 nan 8.360 nan 0.000 0.453 130 L N -0.089 121.167 121.223 0.056 0.000 2.319 130 L HA 0.207 4.554 4.340 0.011 0.000 0.267 130 L C 1.294 178.206 176.870 0.070 0.000 1.011 130 L CA -0.370 54.510 54.840 0.067 0.000 0.818 130 L CB 1.918 44.024 42.059 0.078 0.000 1.316 130 L HN -0.026 nan 8.230 nan 0.000 0.432 131 S N 0.053 115.800 115.700 0.078 0.000 2.439 131 S HA 0.450 4.927 4.470 0.011 0.000 0.224 131 S C 0.532 175.192 174.600 0.101 0.000 1.029 131 S CA 0.353 58.601 58.200 0.081 0.000 0.946 131 S CB 0.310 63.557 63.200 0.079 0.000 0.797 131 S HN 0.776 nan 8.310 nan 0.000 0.504 132 A N -0.664 122.229 122.820 0.122 0.000 2.467 132 A HA 0.828 5.154 4.320 0.011 0.000 0.301 132 A C -0.307 177.386 177.584 0.182 0.000 1.126 132 A CA -0.386 51.748 52.037 0.162 0.000 0.632 132 A CB 0.629 19.752 19.000 0.206 0.000 1.331 132 A HN 1.323 nan 8.150 nan 0.000 0.482 133 G N -2.037 106.909 108.800 0.243 0.000 2.451 133 G HA2 0.550 4.517 3.960 0.011 0.000 0.292 133 G HA3 0.550 4.517 3.960 0.011 0.000 0.292 133 G C -2.315 172.784 174.900 0.332 0.000 1.427 133 G CA -0.308 44.946 45.100 0.256 0.000 0.792 133 G HN 1.486 nan 8.290 nan 0.000 0.498 134 Y N 0.533 120.971 120.300 0.230 0.000 2.329 134 Y HA 0.606 5.162 4.550 0.010 0.000 0.328 134 Y C 0.067 176.051 175.900 0.141 0.000 0.992 134 Y CA -0.589 57.657 58.100 0.243 0.000 1.151 134 Y CB 1.955 40.569 38.460 0.257 0.000 1.150 134 Y HN 0.856 nan 8.280 nan 0.000 0.450 135 A N 6.178 129.029 122.820 0.052 0.000 2.280 135 A HA 0.414 4.740 4.320 0.011 0.000 0.320 135 A C -1.186 176.464 177.584 0.110 0.000 1.366 135 A CA -0.586 51.474 52.037 0.037 0.000 0.938 135 A CB 0.190 19.165 19.000 -0.042 0.000 1.157 135 A HN 0.678 nan 8.150 nan 0.000 0.536 136 L N 5.723 127.054 121.223 0.179 0.000 2.423 136 L HA 0.340 4.686 4.340 0.011 0.000 0.249 136 L C 0.283 177.200 176.870 0.079 0.000 1.276 136 L CA -0.033 54.966 54.840 0.265 0.000 1.199 136 L CB -0.511 41.637 42.059 0.149 0.000 1.407 136 L HN 0.552 nan 8.230 nan 0.000 0.410 137 V N 1.002 120.789 119.914 -0.212 0.000 3.170 137 V HA 0.610 4.737 4.120 0.011 0.000 0.309 137 V C -0.083 175.653 176.094 -0.597 0.000 1.071 137 V CA -0.738 61.055 62.300 -0.845 0.000 1.063 137 V CB 1.597 33.071 31.823 -0.582 0.000 1.123 137 V HN 0.789 nan 8.190 nan 0.000 0.464 138 N N 1.314 119.529 118.700 -0.809 0.000 2.827 138 N HA 0.355 5.101 4.740 0.011 0.000 0.248 138 N C -3.283 172.088 175.510 -0.230 0.000 1.074 138 N CA -0.911 51.960 53.050 -0.299 0.000 1.042 138 N CB 2.865 41.296 38.487 -0.092 0.000 1.684 138 N HN 0.629 nan 8.380 nan 0.000 0.542 139 P HA 0.279 nan 4.420 nan 0.000 0.274 139 P C -2.753 174.533 177.300 -0.022 0.000 1.246 139 P CA -0.784 62.299 63.100 -0.030 0.000 0.795 139 P CB 0.509 32.206 31.700 -0.006 0.000 1.006 140 P HA 0.145 nan 4.420 nan 0.000 0.289 140 P C 0.451 177.803 177.300 0.086 0.000 1.299 140 P CA 0.122 63.255 63.100 0.054 0.000 0.766 140 P CB 0.480 32.256 31.700 0.126 0.000 1.226 141 G N -1.574 107.279 108.800 0.088 0.000 2.597 141 G HA2 -0.034 3.932 3.960 0.011 0.000 0.196 141 G HA3 -0.034 3.932 3.960 0.011 0.000 0.196 141 G C 1.134 176.145 174.900 0.184 0.000 1.176 141 G CA 0.330 45.512 45.100 0.136 0.000 0.747 141 G HN 0.728 nan 8.290 nan 0.000 0.821 142 H N -1.389 117.641 119.070 -0.066 0.000 2.546 142 H HA 0.158 4.720 4.556 0.010 0.000 0.277 142 H C 1.742 176.997 175.328 -0.121 0.000 1.004 142 H CA 0.771 56.756 56.048 -0.106 0.000 1.231 142 H CB -0.082 29.587 29.762 -0.154 0.000 1.382 142 H HN 0.293 nan 8.280 nan 0.000 0.580 143 H N 0.917 119.980 119.070 -0.013 0.000 2.551 143 H HA 0.343 4.906 4.556 0.010 0.000 0.266 143 H C 0.742 176.037 175.328 -0.055 0.000 0.964 143 H CA 0.472 56.438 56.048 -0.135 0.000 1.180 143 H CB 0.111 29.842 29.762 -0.052 0.000 1.408 143 H HN 0.496 nan 8.280 nan 0.000 0.563 144 A N 4.282 127.179 122.820 0.129 0.000 2.395 144 A HA 0.263 4.589 4.320 0.011 0.000 0.286 144 A C -1.953 175.707 177.584 0.126 0.000 1.193 144 A CA -1.093 51.004 52.037 0.100 0.000 0.852 144 A CB 0.384 19.467 19.000 0.138 0.000 1.118 144 A HN 0.081 nan 8.150 nan 0.000 0.524 145 P HA 0.114 nan 4.420 nan 0.000 0.302 145 P C 0.556 177.896 177.300 0.066 0.000 1.307 145 P CA -0.188 62.915 63.100 0.005 0.000 0.754 145 P CB 0.603 32.271 31.700 -0.052 0.000 1.298 146 H N -0.412 118.608 119.070 -0.084 0.000 2.387 146 H HA -0.108 4.455 4.556 0.010 0.000 0.299 146 H C 1.307 176.702 175.328 0.112 0.000 1.099 146 H CA 2.157 58.170 56.048 -0.059 0.000 1.315 146 H CB -0.094 29.593 29.762 -0.125 0.000 1.380 146 H HN 0.345 nan 8.280 nan 0.000 0.513 147 N N -0.340 118.353 118.700 -0.012 0.000 2.282 147 N HA 0.325 5.072 4.740 0.011 0.000 0.240 147 N C -1.211 174.184 175.510 -0.191 0.000 1.182 147 N CA 0.453 53.463 53.050 -0.066 0.000 0.874 147 N CB 0.517 39.027 38.487 0.038 0.000 1.126 147 N HN 0.357 nan 8.380 nan 0.000 0.516 148 A N -0.107 122.437 122.820 -0.459 0.000 2.601 148 A HA 0.697 5.023 4.320 0.011 0.000 0.291 148 A C -1.449 175.719 177.584 -0.693 0.000 1.075 148 A CA -0.575 51.159 52.037 -0.505 0.000 0.671 148 A CB 0.814 19.698 19.000 -0.195 0.000 1.277 148 A HN 0.144 nan 8.150 nan 0.000 0.417 149 A N 0.758 123.379 122.820 -0.332 0.000 2.304 149 A HA 0.861 5.187 4.320 0.011 0.000 0.301 149 A C -0.191 177.357 177.584 -0.060 0.000 1.132 149 A CA -0.083 51.885 52.037 -0.115 0.000 0.819 149 A CB 0.690 19.699 19.000 0.015 0.000 1.094 149 A HN 1.745 nan 8.150 nan 0.000 0.492 150 M N 1.493 121.090 119.600 -0.004 0.000 2.426 150 M HA 0.488 4.974 4.480 0.011 0.000 0.289 150 M C 0.257 176.597 176.300 0.068 0.000 1.168 150 M CA 0.795 56.108 55.300 0.021 0.000 0.933 150 M CB 1.785 34.386 32.600 0.001 0.000 1.750 150 M HN 2.023 nan 8.290 nan 0.000 0.494 151 G N 3.438 112.210 108.800 -0.046 0.000 2.338 151 G HA2 -0.275 3.691 3.960 0.011 0.000 0.296 151 G HA3 -0.275 3.691 3.960 0.011 0.000 0.296 151 G C 0.100 174.811 174.900 -0.315 0.000 1.040 151 G CA 0.753 45.645 45.100 -0.346 0.000 1.004 151 G HN 1.257 nan 8.290 nan 0.000 0.509 152 F N -4.734 115.262 119.950 0.077 0.000 2.656 152 F HA -0.295 4.238 4.527 0.010 0.000 0.381 152 F C 1.267 177.105 175.800 0.063 0.000 0.603 152 F CA 0.129 58.169 58.000 0.067 0.000 1.335 152 F CB -2.018 37.054 39.000 0.120 0.000 1.836 152 F HN 0.529 nan 8.300 nan 0.000 0.290 153 C N 2.292 121.716 119.300 0.206 0.000 2.303 153 C HA 0.485 4.951 4.460 0.011 0.000 0.326 153 C C 1.849 176.849 174.990 0.017 0.000 1.285 153 C CA -0.853 58.244 59.018 0.132 0.000 1.675 153 C CB 0.593 28.436 27.740 0.172 0.000 2.289 153 C HN 0.236 nan 8.230 nan 0.000 0.512 154 I N 0.826 121.340 120.570 -0.092 0.000 2.512 154 I HA 0.223 4.399 4.170 0.011 0.000 0.247 154 I C 0.474 176.293 176.117 -0.497 0.000 1.094 154 I CA 1.222 62.308 61.300 -0.355 0.000 1.427 154 I CB -0.618 37.049 38.000 -0.555 0.000 1.149 154 I HN 0.480 nan 8.210 nan 0.000 0.438 155 F N -0.080 119.892 119.950 0.037 0.000 2.593 155 F HA 0.334 4.867 4.527 0.010 0.000 0.320 155 F C 0.517 176.444 175.800 0.211 0.000 1.060 155 F CA -0.969 57.058 58.000 0.046 0.000 0.940 155 F CB 1.305 40.331 39.000 0.044 0.000 1.268 155 F HN -0.183 nan 8.300 nan 0.000 0.475 156 N N 1.785 120.903 118.700 0.697 0.000 2.663 156 N HA 0.098 4.844 4.740 0.011 0.000 0.250 156 N C 0.626 176.296 175.510 0.267 0.000 1.129 156 N CA -0.169 53.106 53.050 0.374 0.000 0.995 156 N CB 0.101 38.751 38.487 0.270 0.000 1.324 156 N HN 0.473 nan 8.380 nan 0.000 0.512 157 N N 0.669 119.485 118.700 0.193 0.000 2.061 157 N HA -0.209 4.537 4.740 0.011 0.000 0.193 157 N C 1.688 177.249 175.510 0.086 0.000 1.030 157 N CA 2.045 55.164 53.050 0.115 0.000 0.856 157 N CB -0.547 37.963 38.487 0.038 0.000 1.023 157 N HN 0.646 nan 8.380 nan 0.000 0.424 158 T N -2.254 112.345 114.554 0.075 0.000 2.951 158 T HA 0.082 4.438 4.350 0.011 0.000 0.268 158 T C 2.078 176.862 174.700 0.140 0.000 1.073 158 T CA 1.069 63.199 62.100 0.051 0.000 1.134 158 T CB -0.245 68.621 68.868 -0.002 0.000 0.884 158 T HN -0.002 nan 8.240 nan 0.000 0.479 159 S N 0.854 116.697 115.700 0.239 0.000 2.395 159 S HA 0.063 4.539 4.470 0.011 0.000 0.225 159 S C 2.175 176.978 174.600 0.340 0.000 1.027 159 S CA 0.673 59.138 58.200 0.441 0.000 0.965 159 S CB -0.367 63.054 63.200 0.369 0.000 0.812 159 S HN 0.380 nan 8.310 nan 0.000 0.482 160 V N 2.188 122.219 119.914 0.195 0.000 2.343 160 V HA -0.195 3.932 4.120 0.011 0.000 0.247 160 V C 2.643 178.834 176.094 0.162 0.000 1.051 160 V CA 1.731 64.122 62.300 0.151 0.000 1.036 160 V CB -1.144 30.737 31.823 0.096 0.000 0.654 160 V HN 0.531 nan 8.190 nan 0.000 0.451 161 A N -0.039 122.854 122.820 0.121 0.000 1.902 161 A HA -0.091 4.236 4.320 0.011 0.000 0.217 161 A C 2.419 180.089 177.584 0.143 0.000 1.181 161 A CA 2.033 54.130 52.037 0.099 0.000 0.623 161 A CB -0.745 18.272 19.000 0.029 0.000 0.818 161 A HN 0.560 nan 8.150 nan 0.000 0.443 162 A N -0.528 122.365 122.820 0.121 0.000 1.898 162 A HA 0.155 4.481 4.320 0.011 0.000 0.216 162 A C 2.392 180.037 177.584 0.100 0.000 1.181 162 A CA 1.843 53.890 52.037 0.018 0.000 0.620 162 A CB -1.318 17.574 19.000 -0.180 0.000 0.819 162 A HN 0.709 nan 8.150 nan 0.000 0.442 163 G N -1.820 107.171 108.800 0.319 0.000 2.408 163 G HA2 -0.251 3.715 3.960 0.011 0.000 0.217 163 G HA3 -0.251 3.715 3.960 0.011 0.000 0.217 163 G C 1.538 176.560 174.900 0.203 0.000 1.150 163 G CA 1.203 46.517 45.100 0.358 0.000 0.776 163 G HN 0.587 nan 8.290 nan 0.000 0.542 164 Y N 1.960 122.310 120.300 0.083 0.000 2.145 164 Y HA -0.009 4.547 4.550 0.010 0.000 0.286 164 Y C 2.915 178.828 175.900 0.022 0.000 1.145 164 Y CA 1.537 59.661 58.100 0.041 0.000 1.148 164 Y CB -0.299 38.177 38.460 0.027 0.000 0.981 164 Y HN 0.244 nan 8.280 nan 0.000 0.507 165 A N 0.800 123.695 122.820 0.126 0.000 1.908 165 A HA -0.182 4.144 4.320 0.011 0.000 0.218 165 A C 2.315 179.856 177.584 -0.071 0.000 1.181 165 A CA 1.702 53.747 52.037 0.014 0.000 0.627 165 A CB -0.507 18.515 19.000 0.036 0.000 0.818 165 A HN 0.417 nan 8.150 nan 0.000 0.445 166 R N -0.737 119.736 120.500 -0.045 0.000 2.057 166 R HA -0.006 4.340 4.340 0.011 0.000 0.229 166 R C 2.433 178.695 176.300 -0.062 0.000 1.136 166 R CA 1.556 57.627 56.100 -0.047 0.000 0.952 166 R CB -0.951 29.345 30.300 -0.007 0.000 0.848 166 R HN 0.512 nan 8.270 nan 0.000 0.430 167 A N 0.061 122.843 122.820 -0.064 0.000 1.975 167 A HA 0.021 4.347 4.320 0.011 0.000 0.215 167 A C 2.223 179.714 177.584 -0.155 0.000 1.170 167 A CA 0.822 52.814 52.037 -0.075 0.000 0.656 167 A CB 0.093 19.078 19.000 -0.026 0.000 0.821 167 A HN 0.112 nan 8.150 nan 0.000 0.449 168 V N -0.671 119.057 119.914 -0.310 0.000 2.788 168 V HA 0.065 4.192 4.120 0.011 0.000 0.241 168 V C 1.985 177.877 176.094 -0.336 0.000 1.083 168 V CA 0.855 62.906 62.300 -0.416 0.000 1.103 168 V CB -0.386 30.923 31.823 -0.857 0.000 0.800 168 V HN 0.471 nan 8.190 nan 0.000 0.476 169 L N 0.963 121.986 121.223 -0.335 0.000 2.591 169 L HA 0.338 4.685 4.340 0.011 0.000 0.228 169 L C 1.835 178.641 176.870 -0.106 0.000 1.133 169 L CA 0.847 55.583 54.840 -0.173 0.000 0.880 169 L CB -0.627 41.369 42.059 -0.104 0.000 1.033 169 L HN 0.547 nan 8.230 nan 0.000 0.450 170 G N 0.493 109.227 108.800 -0.111 0.000 2.180 170 G HA2 -0.346 3.621 3.960 0.011 0.000 0.263 170 G HA3 -0.346 3.621 3.960 0.011 0.000 0.263 170 G C 0.415 175.276 174.900 -0.066 0.000 0.989 170 G CA 0.155 45.209 45.100 -0.077 0.000 0.692 170 G HN 0.308 nan 8.290 nan 0.000 0.526 171 M N 0.065 119.625 119.600 -0.068 0.000 2.248 171 M HA 0.186 4.672 4.480 0.011 0.000 0.345 171 M C 1.507 177.763 176.300 -0.073 0.000 1.243 171 M CA 0.546 55.807 55.300 -0.064 0.000 1.090 171 M CB 0.397 32.962 32.600 -0.057 0.000 1.683 171 M HN 0.293 nan 8.290 nan 0.000 0.450 172 E N 1.938 122.089 120.200 -0.082 0.000 2.230 172 E HA 0.040 4.396 4.350 0.011 0.000 0.192 172 E C -0.055 176.473 176.600 -0.118 0.000 0.987 172 E CA 0.765 57.107 56.400 -0.095 0.000 0.841 172 E CB 0.476 30.113 29.700 -0.104 0.000 0.783 172 E HN 0.519 nan 8.360 nan 0.000 0.481 173 R N 0.472 120.896 120.500 -0.127 0.000 2.564 173 R HA 0.437 4.783 4.340 0.011 0.000 0.284 173 R C -1.501 174.778 176.300 -0.035 0.000 1.031 173 R CA -0.414 55.613 56.100 -0.121 0.000 0.904 173 R CB 2.571 32.644 30.300 -0.379 0.000 1.199 173 R HN -0.152 nan 8.270 nan 0.000 0.443 174 V N 1.488 121.410 119.914 0.014 0.000 2.735 174 V HA 0.748 4.874 4.120 0.011 0.000 0.310 174 V C -0.512 175.582 176.094 -0.000 0.000 1.061 174 V CA -0.899 61.382 62.300 -0.031 0.000 0.913 174 V CB 1.985 33.711 31.823 -0.160 0.000 1.005 174 V HN 0.900 nan 8.190 nan 0.000 0.428 175 A N 4.753 127.561 122.820 -0.020 0.000 2.330 175 A HA 0.915 5.241 4.320 0.011 0.000 0.327 175 A C -0.846 176.648 177.584 -0.150 0.000 1.155 175 A CA -0.529 51.443 52.037 -0.108 0.000 0.803 175 A CB 0.800 19.774 19.000 -0.044 0.000 1.208 175 A HN 0.761 nan 8.150 nan 0.000 0.477 176 I N 2.805 123.273 120.570 -0.170 0.000 2.382 176 I HA 0.254 4.430 4.170 0.011 0.000 0.285 176 I C -0.906 175.143 176.117 -0.114 0.000 1.007 176 I CA -0.620 60.592 61.300 -0.147 0.000 1.142 176 I CB 1.623 39.557 38.000 -0.109 0.000 1.289 176 I HN 0.535 nan 8.210 nan 0.000 0.453 177 L N 7.040 128.170 121.223 -0.154 0.000 2.265 177 L HA 0.492 4.838 4.340 0.011 0.000 0.289 177 L C -0.669 176.099 176.870 -0.169 0.000 1.033 177 L CA 0.170 54.943 54.840 -0.111 0.000 0.814 177 L CB 0.999 42.987 42.059 -0.118 0.000 1.203 177 L HN 0.439 nan 8.230 nan 0.000 0.423 178 D N 4.580 124.970 120.400 -0.017 0.000 2.453 178 D HA 0.211 4.857 4.640 0.011 0.000 0.238 178 D C -0.280 176.137 176.300 0.195 0.000 1.088 178 D CA -0.477 53.521 54.000 -0.003 0.000 0.854 178 D CB 0.672 41.538 40.800 0.111 0.000 1.076 178 D HN 0.595 nan 8.370 nan 0.000 0.533 179 W N 3.500 124.873 121.300 0.121 0.000 3.123 179 W HA 0.360 5.031 4.660 0.019 0.000 0.383 179 W C 0.072 176.701 176.519 0.184 0.000 1.102 179 W CA -0.942 56.531 57.345 0.212 0.000 1.865 179 W CB -0.779 28.838 29.460 0.263 0.000 1.111 179 W HN 0.141 nan 8.180 nan 0.000 0.621 180 D N 1.578 122.161 120.400 0.305 0.000 2.506 180 D HA -0.146 4.500 4.640 0.011 0.000 0.234 180 D C 1.302 177.823 176.300 0.367 0.000 1.143 180 D CA 0.455 54.598 54.000 0.238 0.000 0.871 180 D CB 2.138 42.905 40.800 -0.055 0.000 1.190 180 D HN 0.057 nan 8.370 nan 0.000 0.459 181 V N 4.084 124.159 119.914 0.268 0.000 2.913 181 V HA -0.157 3.969 4.120 0.011 0.000 0.260 181 V C 0.359 176.518 176.094 0.108 0.000 1.098 181 V CA 1.432 63.840 62.300 0.180 0.000 1.121 181 V CB -0.616 31.227 31.823 0.034 0.000 0.714 181 V HN 0.503 nan 8.190 nan 0.000 0.487 182 H N -0.863 118.513 119.070 0.509 0.000 2.496 182 H HA 0.354 4.917 4.556 0.012 0.000 0.342 182 H C 0.245 175.825 175.328 0.420 0.000 1.170 182 H CA -0.501 55.849 56.048 0.503 0.000 1.274 182 H CB 0.460 30.608 29.762 0.643 0.000 1.538 182 H HN 0.352 nan 8.280 nan 0.000 0.542 183 H N 1.169 120.326 119.070 0.146 0.000 2.886 183 H HA 0.029 4.591 4.556 0.010 0.000 0.329 183 H C 0.446 175.686 175.328 -0.147 0.000 1.044 183 H CA -0.414 55.468 56.048 -0.277 0.000 1.456 183 H CB 0.524 29.942 29.762 -0.574 0.000 1.464 183 H HN 0.940 nan 8.280 nan 0.000 0.573 184 G N 5.320 113.877 108.800 -0.406 0.000 3.197 184 G HA2 -0.146 3.820 3.960 0.011 0.000 0.257 184 G HA3 -0.146 3.820 3.960 0.011 0.000 0.257 184 G C 1.203 175.701 174.900 -0.670 0.000 0.835 184 G CA -0.265 44.556 45.100 -0.467 0.000 2.001 184 G HN 0.862 nan 8.290 nan 0.000 0.625 185 N N 0.917 119.124 118.700 -0.820 0.000 2.223 185 N HA -0.109 4.638 4.740 0.011 0.000 0.185 185 N C 2.062 177.430 175.510 -0.237 0.000 1.016 185 N CA 1.328 54.031 53.050 -0.580 0.000 0.863 185 N CB -0.429 37.863 38.487 -0.325 0.000 0.983 185 N HN 0.275 nan 8.380 nan 0.000 0.429 186 G N 0.660 109.365 108.800 -0.160 0.000 2.404 186 G HA2 -0.208 3.758 3.960 0.011 0.000 0.215 186 G HA3 -0.208 3.758 3.960 0.011 0.000 0.215 186 G C 1.506 176.393 174.900 -0.022 0.000 1.174 186 G CA 1.493 46.560 45.100 -0.055 0.000 0.780 186 G HN 0.407 nan 8.290 nan 0.000 0.537 187 T N 0.412 114.977 114.554 0.018 0.000 2.746 187 T HA -0.150 4.206 4.350 0.011 0.000 0.267 187 T C 2.271 177.099 174.700 0.213 0.000 1.039 187 T CA 1.568 63.758 62.100 0.151 0.000 1.142 187 T CB -0.254 68.721 68.868 0.180 0.000 0.866 187 T HN 0.465 nan 8.240 nan 0.000 0.444 188 Q N 0.978 120.862 119.800 0.139 0.000 2.061 188 Q HA -0.232 4.114 4.340 0.011 0.000 0.204 188 Q C 2.074 178.233 176.000 0.265 0.000 0.984 188 Q CA 2.208 58.166 55.803 0.259 0.000 0.846 188 Q CB -0.272 28.599 28.738 0.220 0.000 0.902 188 Q HN 0.572 nan 8.270 nan 0.000 0.421 189 D N -0.288 120.137 120.400 0.042 0.000 2.097 189 D HA -0.161 4.485 4.640 0.011 0.000 0.195 189 D C 1.844 178.129 176.300 -0.026 0.000 0.989 189 D CA 1.645 55.608 54.000 -0.062 0.000 0.827 189 D CB -0.143 40.578 40.800 -0.132 0.000 0.966 189 D HN 0.413 nan 8.370 nan 0.000 0.456 190 I N -0.826 119.669 120.570 -0.125 0.000 2.226 190 I HA -0.184 3.993 4.170 0.011 0.000 0.245 190 I C 1.046 176.867 176.117 -0.493 0.000 1.100 190 I CA 1.000 62.050 61.300 -0.417 0.000 1.374 190 I CB -0.190 37.403 38.000 -0.678 0.000 1.057 190 I HN 0.232 nan 8.210 nan 0.000 0.413 191 W N -0.615 120.754 121.300 0.116 0.000 3.102 191 W HA 0.119 4.785 4.660 0.011 0.000 0.401 191 W C 1.860 178.486 176.519 0.178 0.000 1.070 191 W CA -0.759 56.651 57.345 0.109 0.000 1.921 191 W CB -0.398 29.103 29.460 0.068 0.000 1.118 191 W HN 0.175 nan 8.180 nan 0.000 0.647 192 W N 1.770 123.143 121.300 0.122 0.000 2.321 192 W HA -0.284 4.382 4.660 0.010 0.000 0.306 192 W C 0.264 176.853 176.519 0.117 0.000 1.217 192 W CA 1.877 59.286 57.345 0.106 0.000 1.257 192 W CB -0.202 29.287 29.460 0.049 0.000 1.145 192 W HN -0.001 nan 8.180 nan 0.000 0.509 193 N N -0.137 118.692 118.700 0.214 0.000 2.268 193 N HA -0.031 4.715 4.740 0.011 0.000 0.204 193 N C -0.853 174.707 175.510 0.084 0.000 1.124 193 N CA 0.110 53.210 53.050 0.082 0.000 0.838 193 N CB 0.075 38.630 38.487 0.114 0.000 0.994 193 N HN -0.116 nan 8.380 nan 0.000 0.489 194 D N 0.381 120.866 120.400 0.142 0.000 2.462 194 D HA 0.163 4.809 4.640 0.011 0.000 0.245 194 D C -1.984 174.355 176.300 0.067 0.000 1.122 194 D CA -2.289 51.799 54.000 0.148 0.000 0.864 194 D CB 1.828 42.825 40.800 0.328 0.000 1.098 194 D HN -0.029 nan 8.370 nan 0.000 0.541 195 P HA -0.056 nan 4.420 nan 0.000 0.237 195 P C 0.964 178.129 177.300 -0.225 0.000 1.178 195 P CA 0.399 63.268 63.100 -0.384 0.000 0.766 195 P CB 0.180 31.497 31.700 -0.638 0.000 0.876 196 S N -1.500 114.152 115.700 -0.080 0.000 2.562 196 S HA 0.093 4.569 4.470 0.011 0.000 0.221 196 S C 0.650 175.213 174.600 -0.061 0.000 0.975 196 S CA -0.079 58.095 58.200 -0.044 0.000 0.918 196 S CB -0.577 62.592 63.200 -0.052 0.000 0.772 196 S HN -0.080 nan 8.310 nan 0.000 0.531 197 V N 2.402 122.222 119.914 -0.155 0.000 2.482 197 V HA 0.479 4.606 4.120 0.011 0.000 0.295 197 V C -0.736 175.183 176.094 -0.292 0.000 1.026 197 V CA -0.886 61.185 62.300 -0.382 0.000 0.856 197 V CB 1.504 32.651 31.823 -1.128 0.000 1.001 197 V HN 0.453 nan 8.190 nan 0.000 0.424 198 L N 6.032 126.988 121.223 -0.444 0.000 2.281 198 L HA 0.676 5.023 4.340 0.011 0.000 0.285 198 L C 0.560 177.264 176.870 -0.276 0.000 1.074 198 L CA 0.701 55.225 54.840 -0.526 0.000 0.817 198 L CB 1.354 42.727 42.059 -1.144 0.000 1.168 198 L HN 0.853 nan 8.230 nan 0.000 0.434 199 T N 3.845 118.331 114.554 -0.114 0.000 2.779 199 T HA 0.700 5.056 4.350 0.011 0.000 0.280 199 T C -0.188 174.524 174.700 0.020 0.000 0.987 199 T CA -0.482 61.611 62.100 -0.012 0.000 0.966 199 T CB 0.676 69.617 68.868 0.123 0.000 0.933 199 T HN 0.464 nan 8.240 nan 0.000 0.442 200 I N 2.459 123.046 120.570 0.028 0.000 2.465 200 I HA 0.534 4.710 4.170 0.011 0.000 0.291 200 I C -0.067 176.139 176.117 0.148 0.000 1.014 200 I CA -0.795 60.546 61.300 0.069 0.000 1.093 200 I CB 2.216 40.236 38.000 0.032 0.000 1.267 200 I HN 0.691 nan 8.210 nan 0.000 0.431 201 S N 6.716 122.560 115.700 0.239 0.000 2.605 201 S HA 0.656 5.132 4.470 0.011 0.000 0.308 201 S C -1.006 173.814 174.600 0.368 0.000 1.113 201 S CA -0.528 57.899 58.200 0.379 0.000 1.049 201 S CB 0.772 64.296 63.200 0.540 0.000 1.001 201 S HN 0.333 nan 8.310 nan 0.000 0.480 202 L N 5.924 127.341 121.223 0.323 0.000 2.312 202 L HA 0.660 5.006 4.340 0.011 0.000 0.281 202 L C 0.017 177.069 176.870 0.303 0.000 1.070 202 L CA 0.242 55.177 54.840 0.157 0.000 0.805 202 L CB 0.688 42.878 42.059 0.219 0.000 1.174 202 L HN 0.926 nan 8.230 nan 0.000 0.434 203 H N -0.623 118.554 119.070 0.179 0.000 3.037 203 H HA 0.360 4.922 4.556 0.011 0.000 0.336 203 H C -0.976 174.446 175.328 0.157 0.000 1.323 203 H CA -0.993 55.188 56.048 0.222 0.000 1.159 203 H CB 0.778 30.700 29.762 0.267 0.000 1.882 203 H HN 0.523 nan 8.280 nan 0.000 0.535 204 Q N 1.503 121.480 119.800 0.295 0.000 2.289 204 Q HA 0.016 4.363 4.340 0.011 0.000 0.273 204 Q C -0.542 175.626 176.000 0.281 0.000 1.029 204 Q CA -0.381 55.556 55.803 0.222 0.000 0.896 204 Q CB 0.291 29.143 28.738 0.190 0.000 1.182 204 Q HN 0.706 nan 8.270 nan 0.000 0.385 205 H N 5.445 124.567 119.070 0.087 0.000 3.107 205 H HA -0.055 4.508 4.556 0.010 0.000 0.301 205 H C 0.407 175.753 175.328 0.029 0.000 0.981 205 H CA 1.227 57.301 56.048 0.043 0.000 1.443 205 H CB -0.093 29.651 29.762 -0.030 0.000 1.479 205 H HN 0.830 nan 8.280 nan 0.000 0.564 206 L N 3.070 124.112 121.223 -0.301 0.000 4.232 206 L HA -0.405 3.942 4.340 0.011 0.000 0.415 206 L C 1.971 178.801 176.870 -0.067 0.000 1.168 206 L CA 0.693 55.334 54.840 -0.332 0.000 0.966 206 L CB -2.220 39.525 42.059 -0.525 0.000 2.052 206 L HN 0.665 nan 8.230 nan 0.000 0.887 207 C N -0.067 119.287 119.300 0.090 0.000 2.508 207 C HA 0.101 4.567 4.460 0.011 0.000 0.280 207 C C 0.937 176.128 174.990 0.335 0.000 1.262 207 C CA 1.382 60.538 59.018 0.229 0.000 1.706 207 C CB -0.011 27.914 27.740 0.309 0.000 2.078 207 C HN 0.499 nan 8.230 nan 0.000 0.480 208 F N 0.610 120.671 119.950 0.185 0.000 2.669 208 F HA 0.539 5.072 4.527 0.010 0.000 0.315 208 F C -2.815 172.969 175.800 -0.026 0.000 1.109 208 F CA -1.819 56.173 58.000 -0.014 0.000 1.028 208 F CB 0.867 39.747 39.000 -0.201 0.000 1.287 208 F HN -0.030 nan 8.300 nan 0.000 0.452 209 P HA 0.318 nan 4.420 nan 0.000 0.274 209 P C -2.712 174.262 177.300 -0.543 0.000 1.256 209 P CA -1.166 61.097 63.100 -1.395 0.000 0.795 209 P CB 0.019 31.067 31.700 -1.087 0.000 1.038 210 P HA -0.019 nan 4.420 nan 0.000 0.269 210 P C -0.055 177.144 177.300 -0.168 0.000 1.215 210 P CA 0.599 63.579 63.100 -0.200 0.000 0.780 210 P CB -0.093 31.532 31.700 -0.126 0.000 0.898 211 D N -0.967 119.370 120.400 -0.105 0.000 2.708 211 D HA -0.171 4.476 4.640 0.011 0.000 0.236 211 D C -0.826 175.525 176.300 0.085 0.000 1.146 211 D CA 1.245 55.277 54.000 0.054 0.000 0.662 211 D CB -1.305 39.532 40.800 0.062 0.000 1.059 211 D HN 0.356 nan 8.370 nan 0.000 0.428 212 S N -1.427 114.197 115.700 -0.127 0.000 2.550 212 S HA 0.627 5.104 4.470 0.011 0.000 0.270 212 S C 0.637 174.979 174.600 -0.431 0.000 1.145 212 S CA 0.667 58.796 58.200 -0.119 0.000 0.852 212 S CB 1.613 64.777 63.200 -0.061 0.000 1.119 212 S HN 1.103 nan 8.310 nan 0.000 0.465 213 G N 1.675 110.104 108.800 -0.617 0.000 2.131 213 G HA2 -0.200 3.767 3.960 0.011 0.000 0.223 213 G HA3 -0.200 3.767 3.960 0.011 0.000 0.223 213 G C -0.286 174.520 174.900 -0.158 0.000 0.990 213 G CA 0.149 44.648 45.100 -1.000 0.000 0.671 213 G HN 0.691 nan 8.290 nan 0.000 0.521 214 Y N 1.216 121.529 120.300 0.021 0.000 2.457 214 Y HA 0.302 4.858 4.550 0.011 0.000 0.341 214 Y C 2.177 178.110 175.900 0.056 0.000 1.240 214 Y CA 0.563 58.718 58.100 0.091 0.000 1.437 214 Y CB 0.820 39.337 38.460 0.095 0.000 1.328 214 Y HN 0.289 nan 8.280 nan 0.000 0.588 215 S N -1.250 114.555 115.700 0.176 0.000 2.442 215 S HA -0.200 4.276 4.470 0.011 0.000 0.236 215 S C 1.565 176.225 174.600 0.101 0.000 1.007 215 S CA 1.400 59.654 58.200 0.091 0.000 0.965 215 S CB -1.031 62.187 63.200 0.029 0.000 0.773 215 S HN 0.875 nan 8.310 nan 0.000 0.504 216 T N -0.583 114.057 114.554 0.143 0.000 3.118 216 T HA 0.139 4.496 4.350 0.011 0.000 0.260 216 T C 0.312 175.112 174.700 0.167 0.000 1.139 216 T CA 0.071 62.241 62.100 0.117 0.000 1.085 216 T CB -0.528 68.389 68.868 0.082 0.000 0.934 216 T HN 0.529 nan 8.240 nan 0.000 0.518 217 E N 1.536 121.880 120.200 0.240 0.000 2.003 217 E HA 0.276 4.633 4.350 0.011 0.000 0.279 217 E C 0.490 177.236 176.600 0.242 0.000 1.132 217 E CA -0.236 56.404 56.400 0.400 0.000 0.888 217 E CB 0.499 30.472 29.700 0.455 0.000 1.056 217 E HN 0.401 nan 8.360 nan 0.000 0.399 218 R N 2.345 122.835 120.500 -0.017 0.000 2.565 218 R HA 0.223 4.570 4.340 0.011 0.000 0.347 218 R C 0.468 176.412 176.300 -0.593 0.000 1.010 218 R CA -0.010 55.916 56.100 -0.291 0.000 1.126 218 R CB 1.098 31.161 30.300 -0.395 0.000 1.331 218 R HN 0.671 nan 8.270 nan 0.000 0.552 219 G N 0.934 109.010 108.800 -1.206 0.000 2.757 219 G HA2 0.025 3.991 3.960 0.011 0.000 0.638 219 G HA3 0.025 3.991 3.960 0.011 0.000 0.638 219 G C -0.991 173.159 174.900 -1.249 0.000 1.344 219 G CA -0.530 43.629 45.100 -1.568 0.000 0.855 219 G HN 0.390 nan 8.290 nan 0.000 0.537 220 A N -0.872 121.381 122.820 -0.944 0.000 2.556 220 A HA 1.221 5.547 4.320 0.011 0.000 0.294 220 A C 1.275 178.792 177.584 -0.112 0.000 1.091 220 A CA 1.342 53.174 52.037 -0.342 0.000 0.704 220 A CB 1.074 19.970 19.000 -0.173 0.000 1.300 220 A HN 3.128 nan 8.150 nan 0.000 0.406 221 G N 1.078 109.869 108.800 -0.014 0.000 2.550 221 G HA2 -0.332 3.634 3.960 0.011 0.000 0.277 221 G HA3 -0.332 3.634 3.960 0.011 0.000 0.277 221 G C 0.659 175.584 174.900 0.042 0.000 1.190 221 G CA 0.773 45.881 45.100 0.013 0.000 0.971 221 G HN 1.097 nan 8.290 nan 0.000 0.559 222 N N 1.307 120.030 118.700 0.038 0.000 2.443 222 N HA 0.079 4.825 4.740 0.011 0.000 0.184 222 N C 2.080 177.640 175.510 0.082 0.000 1.037 222 N CA 0.889 53.969 53.050 0.051 0.000 0.896 222 N CB -0.163 38.334 38.487 0.017 0.000 0.959 222 N HN 0.750 nan 8.380 nan 0.000 0.442 223 G N -0.520 108.318 108.800 0.064 0.000 2.985 223 G HA2 -0.131 3.835 3.960 0.011 0.000 0.209 223 G HA3 -0.131 3.835 3.960 0.011 0.000 0.209 223 G C 0.162 175.133 174.900 0.119 0.000 1.165 223 G CA -0.224 44.931 45.100 0.091 0.000 0.776 223 G HN 0.383 nan 8.290 nan 0.000 0.541 224 H N 0.553 119.616 119.070 -0.011 0.000 2.929 224 H HA 0.281 4.844 4.556 0.011 0.000 0.317 224 H C 1.375 176.652 175.328 -0.085 0.000 1.031 224 H CA 1.309 57.291 56.048 -0.110 0.000 1.466 224 H CB 0.512 30.210 29.762 -0.107 0.000 1.482 224 H HN 0.275 nan 8.280 nan 0.000 0.561 225 G N 4.673 113.034 108.800 -0.732 0.000 2.175 225 G HA2 -0.286 3.681 3.960 0.011 0.000 0.244 225 G HA3 -0.286 3.681 3.960 0.011 0.000 0.244 225 G C 0.045 174.457 174.900 -0.814 0.000 0.982 225 G CA 0.357 45.029 45.100 -0.713 0.000 0.641 225 G HN 0.651 nan 8.290 nan 0.000 0.527 226 Y N 0.467 120.638 120.300 -0.216 0.000 2.696 226 Y HA 0.481 5.037 4.550 0.011 0.000 0.260 226 Y C 0.804 176.602 175.900 -0.169 0.000 1.165 226 Y CA -0.371 57.619 58.100 -0.184 0.000 1.189 226 Y CB 0.597 38.982 38.460 -0.125 0.000 1.180 226 Y HN 0.272 nan 8.280 nan 0.000 0.538 227 N N 0.896 119.535 118.700 -0.101 0.000 2.346 227 N HA 0.463 5.209 4.740 0.011 0.000 0.289 227 N C -1.718 173.775 175.510 -0.029 0.000 1.027 227 N CA -0.296 52.751 53.050 -0.005 0.000 0.864 227 N CB 1.050 39.586 38.487 0.082 0.000 1.370 227 N HN -0.039 nan 8.380 nan 0.000 0.481 228 I N 2.649 123.230 120.570 0.017 0.000 2.439 228 I HA 0.297 4.473 4.170 0.011 0.000 0.283 228 I C -0.571 175.606 176.117 0.099 0.000 1.023 228 I CA -0.549 60.759 61.300 0.014 0.000 1.100 228 I CB 1.206 39.186 38.000 -0.034 0.000 1.238 228 I HN 0.572 nan 8.210 nan 0.000 0.445 229 N N 4.825 123.598 118.700 0.122 0.000 2.421 229 N HA 0.467 5.213 4.740 0.011 0.000 0.285 229 N C -0.592 174.925 175.510 0.013 0.000 1.027 229 N CA -0.485 52.676 53.050 0.186 0.000 0.918 229 N CB 2.541 41.171 38.487 0.239 0.000 1.152 229 N HN 0.259 nan 8.380 nan 0.000 0.485 230 V N 3.619 123.462 119.914 -0.117 0.000 2.260 230 V HA 0.279 4.406 4.120 0.011 0.000 0.263 230 V C -2.192 173.619 176.094 -0.472 0.000 1.036 230 V CA -1.572 60.596 62.300 -0.220 0.000 0.874 230 V CB 0.257 31.993 31.823 -0.145 0.000 1.116 230 V HN 0.601 nan 8.190 nan 0.000 0.454 231 P HA 0.283 nan 4.420 nan 0.000 0.271 231 P C -0.665 176.476 177.300 -0.266 0.000 1.220 231 P CA 0.223 63.065 63.100 -0.429 0.000 0.768 231 P CB 1.317 32.884 31.700 -0.221 0.000 0.848 232 L N 5.364 126.483 121.223 -0.174 0.000 2.341 232 L HA 0.550 4.896 4.340 0.011 0.000 0.267 232 L C -2.187 174.674 176.870 -0.014 0.000 1.009 232 L CA -2.802 51.962 54.840 -0.127 0.000 0.819 232 L CB 2.525 44.464 42.059 -0.201 0.000 1.323 232 L HN 0.176 nan 8.230 nan 0.000 0.425 233 P HA 0.220 nan 4.420 nan 0.000 0.275 233 P C -2.661 174.676 177.300 0.062 0.000 1.228 233 P CA -1.729 61.394 63.100 0.039 0.000 0.786 233 P CB -0.052 31.657 31.700 0.016 0.000 0.927 234 P HA -0.017 nan 4.420 nan 0.000 0.264 234 P C 1.127 178.466 177.300 0.064 0.000 1.179 234 P CA 1.614 64.764 63.100 0.082 0.000 0.763 234 P CB -0.220 31.526 31.700 0.076 0.000 0.806 235 G N 1.226 110.068 108.800 0.070 0.000 2.195 235 G HA2 -0.237 3.729 3.960 0.011 0.000 0.246 235 G HA3 -0.237 3.729 3.960 0.011 0.000 0.246 235 G C 0.349 175.283 174.900 0.056 0.000 0.984 235 G CA -0.004 45.127 45.100 0.051 0.000 0.633 235 G HN 0.591 nan 8.290 nan 0.000 0.525 236 S N 0.755 116.506 115.700 0.084 0.000 2.560 236 S HA 0.547 5.024 4.470 0.011 0.000 0.284 236 S C 0.986 175.682 174.600 0.160 0.000 1.327 236 S CA 0.510 58.772 58.200 0.102 0.000 1.055 236 S CB 1.451 64.702 63.200 0.085 0.000 0.868 236 S HN 1.294 nan 8.310 nan 0.000 0.506 237 G N 1.648 110.523 108.800 0.126 0.000 3.257 237 G HA2 0.267 4.233 3.960 0.011 0.000 0.205 237 G HA3 0.267 4.233 3.960 0.011 0.000 0.205 237 G C 0.501 175.462 174.900 0.102 0.000 1.234 237 G CA -0.561 44.586 45.100 0.078 0.000 0.918 237 G HN 0.535 nan 8.290 nan 0.000 0.602 238 N N 0.327 119.019 118.700 -0.012 0.000 2.104 238 N HA -0.158 4.589 4.740 0.011 0.000 0.190 238 N C 2.354 177.890 175.510 0.042 0.000 1.024 238 N CA 1.567 54.601 53.050 -0.027 0.000 0.853 238 N CB -0.523 37.932 38.487 -0.054 0.000 1.008 238 N HN 0.472 nan 8.380 nan 0.000 0.424 239 A N 0.983 123.824 122.820 0.035 0.000 1.877 239 A HA 0.039 4.366 4.320 0.011 0.000 0.216 239 A C 2.399 180.018 177.584 0.057 0.000 1.186 239 A CA 2.020 54.078 52.037 0.036 0.000 0.620 239 A CB -0.923 18.079 19.000 0.003 0.000 0.822 239 A HN 0.324 nan 8.150 nan 0.000 0.443 240 A N -1.594 121.254 122.820 0.047 0.000 1.902 240 A HA -0.097 4.229 4.320 0.011 0.000 0.217 240 A C 2.110 179.692 177.584 -0.004 0.000 1.181 240 A CA 1.588 53.628 52.037 0.005 0.000 0.623 240 A CB -0.818 18.159 19.000 -0.039 0.000 0.818 240 A HN 0.596 nan 8.150 nan 0.000 0.443 241 Y N -0.139 120.146 120.300 -0.025 0.000 2.200 241 Y HA -0.104 4.451 4.550 0.007 0.000 0.290 241 Y C 2.209 178.097 175.900 -0.019 0.000 1.137 241 Y CA 1.612 59.687 58.100 -0.043 0.000 1.163 241 Y CB -0.201 38.179 38.460 -0.132 0.000 0.988 241 Y HN 0.185 nan 8.280 nan 0.000 0.518 242 L N -1.468 119.832 121.223 0.128 0.000 2.156 242 L HA -0.204 4.142 4.340 0.011 0.000 0.208 242 L C 2.254 179.174 176.870 0.082 0.000 1.095 242 L CA 1.318 56.208 54.840 0.083 0.000 0.770 242 L CB -0.517 41.579 42.059 0.060 0.000 0.914 242 L HN 0.278 nan 8.230 nan 0.000 0.439 243 H N 0.171 119.240 119.070 -0.002 0.000 2.353 243 H HA -0.122 4.439 4.556 0.009 0.000 0.300 243 H C 2.173 177.486 175.328 -0.024 0.000 1.090 243 H CA 1.541 57.580 56.048 -0.015 0.000 1.327 243 H CB 0.169 29.914 29.762 -0.027 0.000 1.383 243 H HN 0.271 nan 8.280 nan 0.000 0.508 244 A N 0.665 123.497 122.820 0.021 0.000 1.902 244 A HA -0.172 4.154 4.320 0.011 0.000 0.217 244 A C 2.299 179.862 177.584 -0.035 0.000 1.181 244 A CA 1.733 53.741 52.037 -0.048 0.000 0.623 244 A CB -0.478 18.462 19.000 -0.101 0.000 0.818 244 A HN 0.401 nan 8.150 nan 0.000 0.443 245 M N -0.054 119.554 119.600 0.014 0.000 2.065 245 M HA -0.160 4.326 4.480 0.011 0.000 0.259 245 M C 1.490 177.790 176.300 0.001 0.000 1.069 245 M CA 1.742 57.068 55.300 0.044 0.000 1.110 245 M CB -1.602 31.045 32.600 0.079 0.000 1.328 245 M HN 0.321 nan 8.290 nan 0.000 0.405 246 D N -0.358 120.017 120.400 -0.042 0.000 2.183 246 D HA -0.096 4.550 4.640 0.011 0.000 0.203 246 D C 2.222 178.456 176.300 -0.109 0.000 0.969 246 D CA 0.892 54.854 54.000 -0.064 0.000 0.842 246 D CB 0.000 40.756 40.800 -0.073 0.000 0.957 246 D HN 0.331 nan 8.370 nan 0.000 0.484 247 Q N -0.526 119.160 119.800 -0.189 0.000 2.391 247 Q HA 0.128 4.474 4.340 0.011 0.000 0.211 247 Q C 1.724 177.656 176.000 -0.112 0.000 0.908 247 Q CA 0.323 56.004 55.803 -0.203 0.000 0.920 247 Q CB 1.202 29.709 28.738 -0.385 0.000 1.056 247 Q HN 0.213 nan 8.270 nan 0.000 0.523 248 V N -1.236 118.629 119.914 -0.082 0.000 3.161 248 V HA 0.013 4.139 4.120 0.011 0.000 0.221 248 V C 2.021 178.103 176.094 -0.019 0.000 1.296 248 V CA 0.406 62.676 62.300 -0.049 0.000 1.306 248 V CB 0.025 31.819 31.823 -0.049 0.000 1.171 248 V HN -0.097 nan 8.190 nan 0.000 0.513 249 V N 0.758 120.673 119.914 0.002 0.000 2.270 249 V HA -0.193 3.933 4.120 0.011 0.000 0.245 249 V C 2.332 178.448 176.094 0.037 0.000 1.043 249 V CA 2.133 64.454 62.300 0.035 0.000 1.014 249 V CB -0.525 31.349 31.823 0.085 0.000 0.645 249 V HN 0.393 nan 8.190 nan 0.000 0.447 250 L N -0.213 121.032 121.223 0.037 0.000 2.056 250 L HA -0.085 4.261 4.340 0.011 0.000 0.207 250 L C 0.064 176.951 176.870 0.029 0.000 1.078 250 L CA 1.572 56.437 54.840 0.041 0.000 0.749 250 L CB -1.983 40.102 42.059 0.042 0.000 0.901 250 L HN 0.358 nan 8.230 nan 0.000 0.433 251 P HA -0.175 nan 4.420 nan 0.000 0.216 251 P C 1.512 178.824 177.300 0.019 0.000 1.150 251 P CA 1.797 64.902 63.100 0.009 0.000 0.837 251 P CB -0.009 31.685 31.700 -0.010 0.000 0.786 252 A N -0.505 122.322 122.820 0.012 0.000 1.883 252 A HA -0.178 4.148 4.320 0.011 0.000 0.217 252 A C 2.242 179.863 177.584 0.062 0.000 1.186 252 A CA 1.560 53.606 52.037 0.015 0.000 0.624 252 A CB -1.672 17.317 19.000 -0.018 0.000 0.822 252 A HN 0.117 nan 8.150 nan 0.000 0.444 253 L N -1.178 120.081 121.223 0.061 0.000 2.056 253 L HA -0.175 4.171 4.340 0.011 0.000 0.207 253 L C 2.868 179.804 176.870 0.111 0.000 1.078 253 L CA 1.438 56.337 54.840 0.097 0.000 0.749 253 L CB -0.478 41.622 42.059 0.068 0.000 0.901 253 L HN 0.349 nan 8.230 nan 0.000 0.433 254 R N -0.067 120.477 120.500 0.073 0.000 2.092 254 R HA -0.092 4.254 4.340 0.011 0.000 0.231 254 R C 2.422 178.761 176.300 0.066 0.000 1.119 254 R CA 1.171 57.306 56.100 0.059 0.000 0.970 254 R CB -0.446 29.878 30.300 0.040 0.000 0.864 254 R HN 0.341 nan 8.270 nan 0.000 0.440 255 A N 0.348 123.216 122.820 0.080 0.000 1.933 255 A HA -0.204 4.122 4.320 0.011 0.000 0.218 255 A C 1.907 179.576 177.584 0.140 0.000 1.175 255 A CA 1.102 53.192 52.037 0.088 0.000 0.628 255 A CB -0.520 18.525 19.000 0.075 0.000 0.814 255 A HN 0.411 nan 8.150 nan 0.000 0.444 256 Y N -0.605 119.715 120.300 0.034 0.000 2.365 256 Y HA 0.109 4.666 4.550 0.010 0.000 0.293 256 Y C 0.611 176.525 175.900 0.023 0.000 1.119 256 Y CA 0.873 59.006 58.100 0.056 0.000 1.203 256 Y CB 0.069 38.566 38.460 0.062 0.000 1.026 256 Y HN 0.373 nan 8.280 nan 0.000 0.549 257 R N 0.420 120.929 120.500 0.015 0.000 3.152 257 R HA -0.147 4.199 4.340 0.011 0.000 0.252 257 R C -2.717 173.491 176.300 -0.154 0.000 0.930 257 R CA 0.331 56.390 56.100 -0.068 0.000 0.642 257 R CB -1.934 28.312 30.300 -0.090 0.000 1.205 257 R HN 0.311 nan 8.270 nan 0.000 0.452 258 P HA -0.000 nan 4.420 nan 0.000 0.272 258 P C -0.093 177.188 177.300 -0.031 0.000 1.230 258 P CA -0.013 63.087 63.100 0.000 0.000 0.788 258 P CB 0.686 32.488 31.700 0.170 0.000 0.949 259 Q N -0.254 119.519 119.800 -0.044 0.000 2.392 259 Q HA 0.280 4.626 4.340 0.011 0.000 0.203 259 Q C 0.031 176.021 176.000 -0.017 0.000 0.917 259 Q CA 0.490 56.272 55.803 -0.035 0.000 0.939 259 Q CB 0.006 28.715 28.738 -0.048 0.000 1.063 259 Q HN 0.296 nan 8.270 nan 0.000 0.516 260 L N -0.603 120.612 121.223 -0.014 0.000 2.549 260 L HA 0.506 4.852 4.340 0.011 0.000 0.259 260 L C -1.907 174.945 176.870 -0.030 0.000 0.934 260 L CA -0.613 54.216 54.840 -0.017 0.000 0.865 260 L CB 1.656 43.703 42.059 -0.020 0.000 1.352 260 L HN -0.077 nan 8.230 nan 0.000 0.410 261 I N 5.375 125.915 120.570 -0.050 0.000 2.378 261 I HA 0.483 4.659 4.170 0.011 0.000 0.291 261 I C -0.604 175.413 176.117 -0.167 0.000 0.992 261 I CA -0.359 60.883 61.300 -0.097 0.000 1.154 261 I CB 1.655 39.600 38.000 -0.092 0.000 1.315 261 I HN 0.477 nan 8.210 nan 0.000 0.448 262 I N 6.682 127.135 120.570 -0.196 0.000 2.377 262 I HA 0.362 4.539 4.170 0.011 0.000 0.293 262 I C -0.552 175.344 176.117 -0.368 0.000 0.987 262 I CA -0.861 60.289 61.300 -0.250 0.000 1.185 262 I CB 1.869 39.766 38.000 -0.172 0.000 1.341 262 I HN 0.162 nan 8.210 nan 0.000 0.455 263 V N 5.043 124.618 119.914 -0.566 0.000 2.347 263 V HA 0.369 4.495 4.120 0.011 0.000 0.280 263 V C 0.726 176.450 176.094 -0.616 0.000 1.021 263 V CA -0.646 61.203 62.300 -0.751 0.000 0.847 263 V CB 1.390 32.426 31.823 -1.310 0.000 0.990 263 V HN 0.920 nan 8.190 nan 0.000 0.444 264 G N 2.672 111.168 108.800 -0.507 0.000 2.508 264 G HA2 0.252 4.218 3.960 0.011 0.000 0.301 264 G HA3 0.252 4.218 3.960 0.011 0.000 0.301 264 G C 0.293 174.836 174.900 -0.594 0.000 0.965 264 G CA -0.012 44.837 45.100 -0.420 0.000 1.339 264 G HN 0.655 nan 8.290 nan 0.000 0.455 265 S N 2.436 117.804 115.700 -0.554 0.000 2.592 265 S HA 0.574 5.050 4.470 0.011 0.000 0.305 265 S C 0.897 175.204 174.600 -0.489 0.000 1.118 265 S CA -0.331 57.515 58.200 -0.590 0.000 1.075 265 S CB -0.134 62.945 63.200 -0.201 0.000 1.107 265 S HN 0.735 nan 8.310 nan 0.000 0.503 266 G N 2.321 110.898 108.800 -0.372 0.000 2.451 266 G HA2 0.577 4.544 3.960 0.011 0.000 0.303 266 G HA3 0.577 4.544 3.960 0.011 0.000 0.303 266 G C -0.334 174.211 174.900 -0.593 0.000 1.166 266 G CA -0.672 44.216 45.100 -0.354 0.000 0.884 266 G HN 0.715 nan 8.290 nan 0.000 0.514 267 F N -0.408 119.507 119.950 -0.059 0.000 2.735 267 F HA 0.164 4.696 4.527 0.010 0.000 0.304 267 F C 1.129 176.943 175.800 0.023 0.000 1.119 267 F CA -0.585 57.237 58.000 -0.297 0.000 1.280 267 F CB 1.006 39.666 39.000 -0.566 0.000 0.994 267 F HN 0.432 nan 8.300 nan 0.000 0.520 268 D N 0.163 120.698 120.400 0.224 0.000 2.349 268 D HA -0.013 4.634 4.640 0.011 0.000 0.224 268 D C 1.722 178.197 176.300 0.292 0.000 1.029 268 D CA 0.421 54.604 54.000 0.304 0.000 0.879 268 D CB -0.226 40.843 40.800 0.448 0.000 0.906 268 D HN 0.210 nan 8.370 nan 0.000 0.528 269 A N 0.443 123.463 122.820 0.334 0.000 2.238 269 A HA 0.145 4.471 4.320 0.011 0.000 0.208 269 A C 1.290 178.998 177.584 0.207 0.000 1.177 269 A CA 0.073 52.238 52.037 0.214 0.000 0.804 269 A CB -0.523 18.479 19.000 0.003 0.000 0.823 269 A HN 0.285 nan 8.150 nan 0.000 0.482 270 S N -1.339 114.592 115.700 0.386 0.000 2.584 270 S HA 0.199 4.676 4.470 0.011 0.000 0.270 270 S C 0.998 175.745 174.600 0.244 0.000 1.346 270 S CA 0.284 58.718 58.200 0.389 0.000 1.018 270 S CB 0.387 63.890 63.200 0.505 0.000 0.899 270 S HN 0.329 nan 8.310 nan 0.000 0.542 271 M N 1.933 121.651 119.600 0.197 0.000 2.346 271 M HA 0.093 4.580 4.480 0.011 0.000 0.263 271 M C 0.929 177.267 176.300 0.063 0.000 1.064 271 M CA 1.676 57.018 55.300 0.070 0.000 1.083 271 M CB -0.629 31.956 32.600 -0.024 0.000 1.399 271 M HN 0.774 nan 8.290 nan 0.000 0.435 272 L N -1.265 120.032 121.223 0.123 0.000 2.857 272 L HA 0.232 4.579 4.340 0.011 0.000 0.249 272 L C 0.249 177.229 176.870 0.182 0.000 1.172 272 L CA -0.408 54.496 54.840 0.106 0.000 0.980 272 L CB -0.206 41.870 42.059 0.029 0.000 1.299 272 L HN 0.067 nan 8.230 nan 0.000 0.535 273 D N 1.945 122.475 120.400 0.218 0.000 2.350 273 D HA 0.092 4.738 4.640 0.011 0.000 0.249 273 D C -1.434 175.003 176.300 0.228 0.000 1.119 273 D CA -1.274 52.882 54.000 0.260 0.000 0.886 273 D CB 2.165 43.151 40.800 0.311 0.000 1.195 273 D HN -0.024 nan 8.370 nan 0.000 0.437 274 P HA -0.010 nan 4.420 nan 0.000 0.224 274 P C 1.315 178.717 177.300 0.171 0.000 1.157 274 P CA 0.432 63.636 63.100 0.173 0.000 0.799 274 P CB 0.500 32.288 31.700 0.147 0.000 0.809 275 L N -1.388 119.980 121.223 0.241 0.000 2.653 275 L HA 0.403 4.749 4.340 0.011 0.000 0.231 275 L C 0.913 177.994 176.870 0.351 0.000 1.153 275 L CA -0.260 54.725 54.840 0.242 0.000 0.933 275 L CB -0.121 42.019 42.059 0.136 0.000 1.175 275 L HN -0.028 nan 8.230 nan 0.000 0.473 276 A N -0.723 122.255 122.820 0.262 0.000 2.557 276 A HA 0.676 5.002 4.320 0.011 0.000 0.292 276 A C -0.422 177.258 177.584 0.160 0.000 1.139 276 A CA -0.671 51.489 52.037 0.204 0.000 0.665 276 A CB 1.031 20.112 19.000 0.135 0.000 1.285 276 A HN 0.023 nan 8.150 nan 0.000 0.433 277 R N -0.043 120.539 120.500 0.137 0.000 2.652 277 R HA 0.286 4.632 4.340 0.011 0.000 0.372 277 R C -0.350 176.012 176.300 0.104 0.000 1.104 277 R CA -0.139 56.026 56.100 0.109 0.000 1.072 277 R CB 0.109 30.465 30.300 0.094 0.000 1.367 277 R HN 0.667 nan 8.270 nan 0.000 0.577 278 M N -0.055 119.618 119.600 0.122 0.000 2.369 278 M HA 0.407 4.894 4.480 0.011 0.000 0.291 278 M C 0.998 177.340 176.300 0.069 0.000 1.178 278 M CA -0.203 55.167 55.300 0.117 0.000 0.996 278 M CB 0.728 33.426 32.600 0.165 0.000 1.472 278 M HN -0.069 nan 8.290 nan 0.000 0.496 279 M N 0.414 120.033 119.600 0.031 0.000 2.705 279 M HA 0.224 4.710 4.480 0.011 0.000 0.387 279 M C -0.620 175.640 176.300 -0.068 0.000 1.204 279 M CA -0.193 55.102 55.300 -0.007 0.000 0.905 279 M CB 0.490 33.084 32.600 -0.010 0.000 1.394 279 M HN 0.219 nan 8.290 nan 0.000 0.515 280 V N 1.765 121.580 119.914 -0.166 0.000 2.637 280 V HA 0.156 4.282 4.120 0.011 0.000 0.296 280 V C 0.923 176.931 176.094 -0.144 0.000 1.046 280 V CA 0.071 62.149 62.300 -0.370 0.000 1.066 280 V CB 0.702 31.952 31.823 -0.955 0.000 0.968 280 V HN 0.546 nan 8.190 nan 0.000 0.483 281 T N 1.772 116.265 114.554 -0.102 0.000 2.922 281 T HA 0.648 5.004 4.350 0.011 0.000 0.281 281 T C 1.281 176.079 174.700 0.164 0.000 1.005 281 T CA -0.106 62.099 62.100 0.175 0.000 0.982 281 T CB 1.718 70.675 68.868 0.148 0.000 1.158 281 T HN 0.704 nan 8.240 nan 0.000 0.566 282 A N 0.304 123.280 122.820 0.261 0.000 1.917 282 A HA -0.138 4.188 4.320 0.011 0.000 0.219 282 A C 1.974 179.632 177.584 0.124 0.000 1.182 282 A CA 2.426 54.540 52.037 0.128 0.000 0.633 282 A CB -1.448 17.586 19.000 0.057 0.000 0.819 282 A HN 1.000 nan 8.150 nan 0.000 0.448 283 D N -0.980 119.499 120.400 0.133 0.000 2.144 283 D HA -0.009 4.638 4.640 0.011 0.000 0.200 283 D C 1.984 178.290 176.300 0.010 0.000 0.978 283 D CA 1.552 55.599 54.000 0.078 0.000 0.833 283 D CB -0.454 40.414 40.800 0.114 0.000 0.961 283 D HN 0.300 nan 8.370 nan 0.000 0.470 284 G N -0.594 108.165 108.800 -0.068 0.000 2.459 284 G HA2 -0.273 3.693 3.960 0.011 0.000 0.217 284 G HA3 -0.273 3.693 3.960 0.011 0.000 0.217 284 G C 1.400 176.129 174.900 -0.285 0.000 1.183 284 G CA 0.684 45.651 45.100 -0.221 0.000 0.776 284 G HN 0.268 nan 8.290 nan 0.000 0.552 285 F N 0.776 120.635 119.950 -0.150 0.000 2.126 285 F HA 0.020 4.557 4.527 0.016 0.000 0.299 285 F C 2.702 178.444 175.800 -0.096 0.000 1.096 285 F CA 1.392 59.279 58.000 -0.189 0.000 1.255 285 F CB -0.429 38.536 39.000 -0.059 0.000 0.997 285 F HN 0.041 nan 8.300 nan 0.000 0.479 286 R N 0.224 120.800 120.500 0.127 0.000 2.083 286 R HA -0.196 4.150 4.340 0.011 0.000 0.237 286 R C 2.204 178.549 176.300 0.074 0.000 1.137 286 R CA 1.632 57.787 56.100 0.091 0.000 0.951 286 R CB -0.179 30.154 30.300 0.054 0.000 0.851 286 R HN 0.224 nan 8.270 nan 0.000 0.434 287 Q N 0.027 119.845 119.800 0.029 0.000 2.123 287 Q HA -0.118 4.228 4.340 0.011 0.000 0.199 287 Q C 2.149 178.171 176.000 0.038 0.000 0.966 287 Q CA 1.537 57.358 55.803 0.030 0.000 0.845 287 Q CB -0.178 28.564 28.738 0.007 0.000 0.907 287 Q HN 0.461 nan 8.270 nan 0.000 0.439 288 M N 0.115 119.695 119.600 -0.034 0.000 2.117 288 M HA -0.156 4.330 4.480 0.011 0.000 0.262 288 M C 2.282 178.673 176.300 0.152 0.000 1.065 288 M CA 1.795 57.057 55.300 -0.063 0.000 1.114 288 M CB -0.426 31.902 32.600 -0.453 0.000 1.361 288 M HN 0.169 nan 8.290 nan 0.000 0.408 289 A N 0.150 123.118 122.820 0.246 0.000 1.898 289 A HA -0.169 4.158 4.320 0.011 0.000 0.216 289 A C 2.104 179.922 177.584 0.390 0.000 1.181 289 A CA 1.812 54.186 52.037 0.561 0.000 0.620 289 A CB -0.555 18.744 19.000 0.498 0.000 0.819 289 A HN 0.364 nan 8.150 nan 0.000 0.442 290 R N 0.274 120.913 120.500 0.231 0.000 2.080 290 R HA -0.086 4.260 4.340 0.011 0.000 0.236 290 R C 2.164 178.568 176.300 0.173 0.000 1.137 290 R CA 2.067 58.271 56.100 0.173 0.000 0.943 290 R CB -0.723 29.643 30.300 0.110 0.000 0.846 290 R HN 0.536 nan 8.270 nan 0.000 0.431 291 R N -0.796 119.800 120.500 0.159 0.000 2.096 291 R HA -0.104 4.242 4.340 0.011 0.000 0.240 291 R C 2.232 178.637 176.300 0.175 0.000 1.139 291 R CA 2.253 58.439 56.100 0.143 0.000 0.952 291 R CB -0.568 29.805 30.300 0.121 0.000 0.854 291 R HN 0.333 nan 8.270 nan 0.000 0.436 292 T N 0.963 115.670 114.554 0.254 0.000 2.812 292 T HA -0.038 4.318 4.350 0.011 0.000 0.264 292 T C 1.902 176.732 174.700 0.216 0.000 1.042 292 T CA 1.060 63.311 62.100 0.251 0.000 1.140 292 T CB -0.124 68.958 68.868 0.357 0.000 0.870 292 T HN 0.130 nan 8.240 nan 0.000 0.445 293 I N 1.560 122.301 120.570 0.284 0.000 2.163 293 I HA -0.198 3.979 4.170 0.011 0.000 0.243 293 I C 2.286 178.500 176.117 0.161 0.000 1.085 293 I CA 1.263 62.711 61.300 0.247 0.000 1.347 293 I CB -0.383 37.784 38.000 0.278 0.000 1.044 293 I HN 0.121 nan 8.210 nan 0.000 0.408 294 D N 0.029 120.515 120.400 0.143 0.000 2.144 294 D HA -0.191 4.455 4.640 0.011 0.000 0.199 294 D C 2.192 178.544 176.300 0.088 0.000 0.984 294 D CA 1.087 55.149 54.000 0.103 0.000 0.834 294 D CB -0.571 40.283 40.800 0.090 0.000 0.955 294 D HN 0.409 nan 8.370 nan 0.000 0.465 295 C N 1.069 120.426 119.300 0.095 0.000 2.432 295 C HA -0.030 4.437 4.460 0.011 0.000 0.277 295 C C 2.907 177.938 174.990 0.068 0.000 1.249 295 C CA 1.388 60.452 59.018 0.077 0.000 1.725 295 C CB -1.062 26.727 27.740 0.082 0.000 2.028 295 C HN 0.345 nan 8.230 nan 0.000 0.477 296 A N 0.489 123.354 122.820 0.076 0.000 1.917 296 A HA -0.016 4.310 4.320 0.011 0.000 0.219 296 A C 2.481 180.101 177.584 0.060 0.000 1.182 296 A CA 2.556 54.631 52.037 0.063 0.000 0.633 296 A CB -1.217 17.827 19.000 0.073 0.000 0.819 296 A HN 0.927 nan 8.150 nan 0.000 0.448 297 A N -0.446 122.416 122.820 0.070 0.000 1.933 297 A HA -0.182 4.145 4.320 0.011 0.000 0.218 297 A C 1.878 179.490 177.584 0.047 0.000 1.175 297 A CA 2.156 54.229 52.037 0.060 0.000 0.628 297 A CB -0.598 18.441 19.000 0.066 0.000 0.814 297 A HN 0.532 nan 8.150 nan 0.000 0.444 298 D N -0.089 120.339 120.400 0.046 0.000 2.117 298 D HA -0.103 4.544 4.640 0.011 0.000 0.198 298 D C 1.735 178.053 176.300 0.030 0.000 0.982 298 D CA 1.718 55.740 54.000 0.037 0.000 0.828 298 D CB -0.120 40.703 40.800 0.038 0.000 0.967 298 D HN 0.606 nan 8.370 nan 0.000 0.464 299 I N -2.404 118.185 120.570 0.032 0.000 4.139 299 I HA 0.212 4.389 4.170 0.011 0.000 0.320 299 I C 0.687 176.814 176.117 0.016 0.000 1.290 299 I CA -0.014 61.300 61.300 0.023 0.000 1.253 299 I CB 0.486 38.503 38.000 0.028 0.000 1.122 299 I HN 0.140 nan 8.210 nan 0.000 0.421 300 C N -0.453 118.860 119.300 0.021 0.000 3.025 300 C HA 0.492 4.958 4.460 0.011 0.000 0.240 300 C C 0.556 175.560 174.990 0.022 0.000 2.061 300 C CA -0.531 58.496 59.018 0.015 0.000 1.571 300 C CB -1.316 26.430 27.740 0.010 0.000 3.075 300 C HN 0.598 nan 8.230 nan 0.000 0.479 301 D N 0.858 121.273 120.400 0.025 0.000 2.811 301 D HA -0.067 4.579 4.640 0.011 0.000 0.231 301 D C 1.493 177.818 176.300 0.042 0.000 1.157 301 D CA 2.444 56.462 54.000 0.030 0.000 0.716 301 D CB -1.176 39.638 40.800 0.024 0.000 1.077 301 D HN 1.852 nan 8.370 nan 0.000 0.428 302 G N -0.556 108.274 108.800 0.050 0.000 2.179 302 G HA2 -0.396 3.570 3.960 0.011 0.000 0.260 302 G HA3 -0.396 3.570 3.960 0.011 0.000 0.260 302 G C 0.413 175.356 174.900 0.072 0.000 0.977 302 G CA 0.244 45.385 45.100 0.068 0.000 0.641 302 G HN 0.553 nan 8.290 nan 0.000 0.533 303 R N 0.177 120.707 120.500 0.051 0.000 2.387 303 R HA 0.513 4.859 4.340 0.011 0.000 0.321 303 R C -0.082 176.238 176.300 0.035 0.000 1.174 303 R CA 0.248 56.375 56.100 0.045 0.000 1.002 303 R CB 0.143 30.460 30.300 0.029 0.000 1.028 303 R HN 0.466 nan 8.270 nan 0.000 0.482 304 I N 2.491 123.096 120.570 0.058 0.000 2.607 304 I HA 0.290 4.466 4.170 0.011 0.000 0.290 304 I C -1.308 174.847 176.117 0.064 0.000 1.129 304 I CA -0.972 60.341 61.300 0.021 0.000 1.042 304 I CB 2.109 40.141 38.000 0.053 0.000 1.242 304 I HN 0.148 nan 8.210 nan 0.000 0.421 305 V N 7.712 127.594 119.914 -0.054 0.000 2.483 305 V HA 0.436 4.562 4.120 0.011 0.000 0.297 305 V C -0.738 175.258 176.094 -0.163 0.000 1.027 305 V CA -0.444 61.852 62.300 -0.006 0.000 0.855 305 V CB 1.521 33.326 31.823 -0.031 0.000 0.995 305 V HN 0.438 nan 8.190 nan 0.000 0.424 306 F N 3.793 123.612 119.950 -0.218 0.000 2.404 306 F HA 0.664 5.196 4.527 0.009 0.000 0.339 306 F C 0.201 175.630 175.800 -0.619 0.000 1.105 306 F CA -0.591 57.130 58.000 -0.466 0.000 1.087 306 F CB 1.806 40.455 39.000 -0.585 0.000 1.143 306 F HN 0.170 nan 8.300 nan 0.000 0.491 307 V N 2.919 122.595 119.914 -0.397 0.000 2.525 307 V HA 0.279 4.405 4.120 0.011 0.000 0.299 307 V C -0.409 175.522 176.094 -0.273 0.000 1.034 307 V CA -1.072 61.043 62.300 -0.309 0.000 0.863 307 V CB 1.544 33.246 31.823 -0.201 0.000 0.999 307 V HN 0.610 nan 8.190 nan 0.000 0.423 308 Q N 3.936 123.653 119.800 -0.139 0.000 2.300 308 Q HA 0.150 4.496 4.340 0.011 0.000 0.280 308 Q C 0.252 176.199 176.000 -0.088 0.000 1.033 308 Q CA 0.967 56.783 55.803 0.021 0.000 0.903 308 Q CB 0.637 29.504 28.738 0.215 0.000 1.195 308 Q HN 0.739 nan 8.270 nan 0.000 0.386 309 E N 2.127 122.236 120.200 -0.153 0.000 3.491 309 E HA 0.444 4.801 4.350 0.011 0.000 0.337 309 E C 0.284 176.827 176.600 -0.095 0.000 0.545 309 E CA -0.083 56.199 56.400 -0.198 0.000 2.130 309 E CB -0.592 28.851 29.700 -0.428 0.000 2.087 309 E HN 0.720 nan 8.360 nan 0.000 0.434 310 G N -1.077 107.678 108.800 -0.076 0.000 2.509 310 G HA2 0.474 4.441 3.960 0.011 0.000 0.269 310 G HA3 0.474 4.441 3.960 0.011 0.000 0.269 310 G C -0.159 174.597 174.900 -0.241 0.000 1.416 310 G CA 0.120 45.189 45.100 -0.053 0.000 1.052 310 G HN 0.571 nan 8.290 nan 0.000 0.542 311 G N -3.023 105.383 108.800 -0.657 0.000 3.101 311 G HA2 0.149 4.115 3.960 0.011 0.000 0.672 311 G HA3 0.149 4.115 3.960 0.011 0.000 0.672 311 G C -0.757 173.679 174.900 -0.773 0.000 1.331 311 G CA -0.329 44.520 45.100 -0.418 0.000 0.925 311 G HN 0.778 nan 8.290 nan 0.000 0.596 312 Y N 0.938 121.363 120.300 0.208 0.000 2.610 312 Y HA 0.475 5.031 4.550 0.010 0.000 0.254 312 Y C 1.467 177.446 175.900 0.131 0.000 1.110 312 Y CA 0.189 58.394 58.100 0.174 0.000 1.238 312 Y CB 1.478 40.055 38.460 0.195 0.000 1.322 312 Y HN 0.658 nan 8.280 nan 0.000 0.547 313 S N 3.946 119.759 115.700 0.188 0.000 2.409 313 S HA 0.171 4.648 4.470 0.011 0.000 0.308 313 S C -1.525 173.085 174.600 0.016 0.000 1.080 313 S CA -1.614 56.672 58.200 0.143 0.000 1.081 313 S CB 0.649 63.977 63.200 0.214 0.000 1.009 313 S HN 0.070 nan 8.310 nan 0.000 0.502 314 P HA -0.089 nan 4.420 nan 0.000 0.223 314 P C 0.456 177.640 177.300 -0.192 0.000 1.151 314 P CA 1.199 64.186 63.100 -0.188 0.000 0.787 314 P CB 0.016 31.539 31.700 -0.295 0.000 0.788 315 H N -2.269 116.850 119.070 0.081 0.000 2.307 315 H HA -0.078 4.484 4.556 0.010 0.000 0.303 315 H C 1.869 177.282 175.328 0.141 0.000 1.073 315 H CA 1.367 57.484 56.048 0.114 0.000 1.338 315 H CB -0.518 29.284 29.762 0.068 0.000 1.389 315 H HN 0.067 nan 8.280 nan 0.000 0.503 316 Y N 0.283 120.571 120.300 -0.018 0.000 2.522 316 Y HA 0.111 4.665 4.550 0.007 0.000 0.277 316 Y C 2.106 177.961 175.900 -0.076 0.000 1.104 316 Y CA -0.082 57.947 58.100 -0.119 0.000 1.260 316 Y CB -0.249 38.071 38.460 -0.234 0.000 1.151 316 Y HN 0.129 nan 8.280 nan 0.000 0.539 317 L N 1.093 122.240 121.223 -0.126 0.000 2.051 317 L HA -0.184 4.162 4.340 0.011 0.000 0.214 317 L C -0.888 175.608 176.870 -0.623 0.000 1.076 317 L CA 1.930 56.560 54.840 -0.350 0.000 0.758 317 L CB -1.258 40.712 42.059 -0.149 0.000 0.890 317 L HN 0.060 nan 8.230 nan 0.000 0.433 318 P HA -0.196 nan 4.420 nan 0.000 0.216 318 P C 1.217 178.020 177.300 -0.829 0.000 1.153 318 P CA 1.788 64.525 63.100 -0.606 0.000 0.858 318 P CB -0.115 31.282 31.700 -0.505 0.000 0.789 319 F N -1.616 118.064 119.950 -0.450 0.000 2.259 319 F HA -0.111 4.423 4.527 0.013 0.000 0.298 319 F C 2.411 177.827 175.800 -0.640 0.000 1.088 319 F CA 0.706 58.456 58.000 -0.416 0.000 1.358 319 F CB -1.473 37.427 39.000 -0.168 0.000 1.040 319 F HN -0.028 nan 8.300 nan 0.000 0.505 320 C N 0.059 118.862 119.300 -0.829 0.000 2.432 320 C HA -0.085 4.381 4.460 0.011 0.000 0.277 320 C C 3.145 177.265 174.990 -1.449 0.000 1.249 320 C CA 1.288 59.690 59.018 -1.025 0.000 1.725 320 C CB -1.631 25.367 27.740 -1.236 0.000 2.028 320 C HN 0.633 nan 8.230 nan 0.000 0.477 321 G N 0.106 107.717 108.800 -1.982 0.000 2.408 321 G HA2 -0.163 3.803 3.960 0.011 0.000 0.217 321 G HA3 -0.163 3.803 3.960 0.011 0.000 0.217 321 G C 1.517 175.830 174.900 -0.978 0.000 1.150 321 G CA 0.678 44.511 45.100 -2.111 0.000 0.776 321 G HN 0.445 nan 8.290 nan 0.000 0.542 322 L N 1.341 122.141 121.223 -0.704 0.000 2.131 322 L HA 0.155 4.502 4.340 0.011 0.000 0.210 322 L C 3.031 179.787 176.870 -0.190 0.000 1.092 322 L CA 1.884 56.569 54.840 -0.257 0.000 0.759 322 L CB -0.559 41.368 42.059 -0.220 0.000 0.903 322 L HN 0.232 nan 8.230 nan 0.000 0.435 323 A N -1.336 121.349 122.820 -0.225 0.000 1.902 323 A HA -0.145 4.181 4.320 0.011 0.000 0.217 323 A C 2.242 179.791 177.584 -0.059 0.000 1.181 323 A CA 1.965 53.941 52.037 -0.102 0.000 0.623 323 A CB -0.982 17.976 19.000 -0.070 0.000 0.818 323 A HN 0.283 nan 8.150 nan 0.000 0.443 324 V N 0.696 120.565 119.914 -0.075 0.000 2.358 324 V HA -0.216 3.911 4.120 0.011 0.000 0.246 324 V C 2.437 178.496 176.094 -0.058 0.000 1.047 324 V CA 1.557 63.874 62.300 0.028 0.000 1.035 324 V CB -0.655 31.313 31.823 0.242 0.000 0.658 324 V HN 0.510 nan 8.190 nan 0.000 0.452 325 I N 0.364 120.883 120.570 -0.086 0.000 2.163 325 I HA -0.258 3.918 4.170 0.011 0.000 0.243 325 I C 2.520 178.608 176.117 -0.048 0.000 1.085 325 I CA 1.816 63.074 61.300 -0.070 0.000 1.347 325 I CB -1.256 36.692 38.000 -0.087 0.000 1.044 325 I HN 0.457 nan 8.210 nan 0.000 0.408 326 E N 0.494 120.663 120.200 -0.052 0.000 2.160 326 E HA -0.221 4.135 4.350 0.011 0.000 0.195 326 E C 1.994 178.582 176.600 -0.020 0.000 0.991 326 E CA 0.925 57.300 56.400 -0.042 0.000 0.810 326 E CB -0.004 29.672 29.700 -0.041 0.000 0.742 326 E HN 0.437 nan 8.360 nan 0.000 0.466 327 E N 0.346 120.544 120.200 -0.002 0.000 2.208 327 E HA -0.094 4.262 4.350 0.011 0.000 0.193 327 E C 2.139 178.764 176.600 0.040 0.000 0.988 327 E CA 0.531 56.950 56.400 0.031 0.000 0.828 327 E CB 0.003 29.745 29.700 0.070 0.000 0.763 327 E HN 0.329 nan 8.360 nan 0.000 0.478 328 L N 0.712 121.945 121.223 0.017 0.000 2.044 328 L HA -0.125 4.221 4.340 0.011 0.000 0.205 328 L C 2.677 179.577 176.870 0.050 0.000 1.075 328 L CA 1.762 56.631 54.840 0.049 0.000 0.747 328 L CB -0.651 41.433 42.059 0.041 0.000 0.903 328 L HN 0.186 nan 8.230 nan 0.000 0.435 329 T N -3.554 111.015 114.554 0.024 0.000 2.942 329 T HA 0.042 4.398 4.350 0.011 0.000 0.265 329 T C 1.599 176.291 174.700 -0.013 0.000 1.062 329 T CA 0.739 62.849 62.100 0.016 0.000 1.139 329 T CB -0.131 68.736 68.868 -0.002 0.000 0.883 329 T HN 0.481 nan 8.240 nan 0.000 0.468 330 G N 0.484 109.271 108.800 -0.022 0.000 2.162 330 G HA2 -0.201 3.766 3.960 0.011 0.000 0.260 330 G HA3 -0.201 3.766 3.960 0.011 0.000 0.260 330 G C 0.036 174.886 174.900 -0.083 0.000 0.976 330 G CA 0.064 45.144 45.100 -0.032 0.000 0.655 330 G HN 0.802 nan 8.290 nan 0.000 0.533 331 V N 1.815 121.645 119.914 -0.141 0.000 2.417 331 V HA 0.615 4.741 4.120 0.011 0.000 0.291 331 V C 0.317 176.324 176.094 -0.144 0.000 1.024 331 V CA -1.213 60.954 62.300 -0.221 0.000 0.861 331 V CB 1.672 33.169 31.823 -0.543 0.000 0.985 331 V HN 0.266 nan 8.190 nan 0.000 0.436 332 R N 2.764 123.202 120.500 -0.104 0.000 2.254 332 R HA 0.468 4.814 4.340 0.011 0.000 0.318 332 R C 0.603 176.872 176.300 -0.051 0.000 1.031 332 R CA -0.171 55.892 56.100 -0.061 0.000 0.905 332 R CB 1.494 31.768 30.300 -0.043 0.000 1.050 332 R HN 0.736 nan 8.270 nan 0.000 0.456 333 S N 1.833 117.515 115.700 -0.031 0.000 2.506 333 S HA 0.302 4.778 4.470 0.011 0.000 0.230 333 S C 0.565 175.172 174.600 0.013 0.000 1.066 333 S CA 0.258 58.453 58.200 -0.009 0.000 0.940 333 S CB 0.459 63.655 63.200 -0.007 0.000 0.818 333 S HN 0.376 nan 8.310 nan 0.000 0.518 334 L N 1.250 122.491 121.223 0.030 0.000 2.465 334 L HA 0.480 4.826 4.340 0.011 0.000 0.257 334 L C -2.844 174.057 176.870 0.052 0.000 0.988 334 L CA -2.150 52.726 54.840 0.060 0.000 0.827 334 L CB 1.904 44.048 42.059 0.143 0.000 1.397 334 L HN -0.042 nan 8.230 nan 0.000 0.410 335 P HA 0.120 nan 4.420 nan 0.000 0.274 335 P C -1.263 176.030 177.300 -0.013 0.000 1.246 335 P CA -0.352 62.743 63.100 -0.009 0.000 0.795 335 P CB 0.484 32.160 31.700 -0.040 0.000 1.006 336 D N 1.799 122.196 120.400 -0.005 0.000 2.336 336 D HA 0.068 4.714 4.640 0.011 0.000 0.249 336 D C -1.475 174.764 176.300 -0.101 0.000 1.213 336 D CA -2.109 51.878 54.000 -0.023 0.000 0.870 336 D CB 0.362 41.273 40.800 0.186 0.000 1.076 336 D HN 0.138 nan 8.370 nan 0.000 0.483 337 P HA -0.073 nan 4.420 nan 0.000 0.242 337 P C 0.362 177.429 177.300 -0.388 0.000 1.197 337 P CA 0.596 63.469 63.100 -0.379 0.000 0.765 337 P CB -0.057 31.309 31.700 -0.556 0.000 0.936 338 Y N -2.181 118.051 120.300 -0.114 0.000 2.457 338 Y HA 0.068 4.622 4.550 0.007 0.000 0.263 338 Y C 2.632 178.557 175.900 0.043 0.000 1.164 338 Y CA -0.017 58.064 58.100 -0.032 0.000 1.274 338 Y CB -0.710 37.668 38.460 -0.137 0.000 1.097 338 Y HN 0.045 nan 8.280 nan 0.000 0.523 339 H N 0.909 120.047 119.070 0.113 0.000 2.289 339 H HA -0.163 4.389 4.556 -0.007 0.000 0.296 339 H C 1.916 177.280 175.328 0.060 0.000 1.091 339 H CA 2.408 58.510 56.048 0.090 0.000 1.274 339 H CB 0.332 30.125 29.762 0.052 0.000 1.364 339 H HN 0.064 nan 8.280 nan 0.000 0.490 340 E N -0.233 120.020 120.200 0.089 0.000 2.106 340 E HA -0.151 4.205 4.350 0.011 0.000 0.192 340 E C 2.170 178.774 176.600 0.006 0.000 0.984 340 E CA 0.729 57.148 56.400 0.031 0.000 0.806 340 E CB -0.615 29.134 29.700 0.081 0.000 0.750 340 E HN 0.500 nan 8.360 nan 0.000 0.458 341 F N 1.462 121.357 119.950 -0.092 0.000 2.095 341 F HA -0.166 4.370 4.527 0.014 0.000 0.298 341 F C 2.022 177.758 175.800 -0.107 0.000 1.104 341 F CA 1.322 59.271 58.000 -0.086 0.000 1.232 341 F CB -0.242 38.718 39.000 -0.066 0.000 0.987 341 F HN -0.077 nan 8.300 nan 0.000 0.475 342 L N -0.514 120.573 121.223 -0.227 0.000 2.270 342 L HA 0.040 4.386 4.340 0.011 0.000 0.210 342 L C 2.701 179.379 176.870 -0.320 0.000 1.104 342 L CA 0.741 55.363 54.840 -0.363 0.000 0.804 342 L CB -1.150 40.763 42.059 -0.245 0.000 0.937 342 L HN 0.189 nan 8.230 nan 0.000 0.450 343 A N 0.735 123.351 122.820 -0.341 0.000 1.978 343 A HA -0.126 4.201 4.320 0.011 0.000 0.220 343 A C 2.308 179.774 177.584 -0.196 0.000 1.170 343 A CA 1.686 53.532 52.037 -0.318 0.000 0.636 343 A CB -1.010 17.753 19.000 -0.395 0.000 0.810 343 A HN 0.434 nan 8.150 nan 0.000 0.448 344 G N -1.127 107.558 108.800 -0.191 0.000 2.598 344 G HA2 -0.021 3.945 3.960 0.011 0.000 0.215 344 G HA3 -0.021 3.945 3.960 0.011 0.000 0.215 344 G C 1.400 176.209 174.900 -0.152 0.000 1.131 344 G CA 0.755 45.767 45.100 -0.146 0.000 0.785 344 G HN 0.510 nan 8.290 nan 0.000 0.539 345 M N 0.162 119.645 119.600 -0.195 0.000 2.506 345 M HA 0.254 4.740 4.480 0.011 0.000 0.260 345 M C 1.414 177.644 176.300 -0.117 0.000 1.104 345 M CA 0.775 55.970 55.300 -0.174 0.000 1.112 345 M CB 0.076 32.540 32.600 -0.226 0.000 1.401 345 M HN 0.324 nan 8.290 nan 0.000 0.473 346 G N -0.523 108.215 108.800 -0.104 0.000 2.500 346 G HA2 0.108 4.074 3.960 0.011 0.000 0.209 346 G HA3 0.108 4.074 3.960 0.011 0.000 0.209 346 G C 0.330 175.193 174.900 -0.061 0.000 1.283 346 G CA -0.518 44.540 45.100 -0.071 0.000 0.960 346 G HN 0.653 nan 8.290 nan 0.000 0.528 347 G N -1.450 107.326 108.800 -0.039 0.000 2.217 347 G HA2 -0.277 3.690 3.960 0.011 0.000 0.246 347 G HA3 -0.277 3.690 3.960 0.011 0.000 0.246 347 G C 0.708 175.597 174.900 -0.019 0.000 0.990 347 G CA 1.146 46.232 45.100 -0.024 0.000 0.627 347 G HN 1.587 nan 8.290 nan 0.000 0.522 348 N N 0.367 119.052 118.700 -0.026 0.000 2.322 348 N HA 0.284 5.030 4.740 0.011 0.000 0.194 348 N C -0.095 175.406 175.510 -0.015 0.000 1.126 348 N CA 0.754 53.793 53.050 -0.017 0.000 0.845 348 N CB 0.543 39.019 38.487 -0.019 0.000 0.976 348 N HN 0.314 nan 8.380 nan 0.000 0.475 349 T N 0.892 115.433 114.554 -0.022 0.000 2.792 349 T HA 0.253 4.609 4.350 0.011 0.000 0.280 349 T C -0.682 173.994 174.700 -0.040 0.000 0.990 349 T CA -0.634 61.450 62.100 -0.028 0.000 0.960 349 T CB 1.794 70.644 68.868 -0.029 0.000 0.939 349 T HN -0.060 nan 8.240 nan 0.000 0.439 350 L N 5.380 126.567 121.223 -0.061 0.000 2.456 350 L HA 0.366 4.712 4.340 0.011 0.000 0.277 350 L C -0.539 176.272 176.870 -0.098 0.000 1.124 350 L CA 0.115 54.893 54.840 -0.103 0.000 0.880 350 L CB -0.344 41.599 42.059 -0.192 0.000 1.192 350 L HN 0.548 nan 8.230 nan 0.000 0.463 351 L N 4.397 125.572 121.223 -0.080 0.000 2.418 351 L HA 0.243 4.589 4.340 0.011 0.000 0.265 351 L C 1.117 177.941 176.870 -0.077 0.000 1.143 351 L CA -0.816 53.986 54.840 -0.064 0.000 0.809 351 L CB 0.547 42.581 42.059 -0.043 0.000 1.124 351 L HN 0.562 nan 8.230 nan 0.000 0.456 352 D N 1.668 122.032 120.400 -0.060 0.000 2.133 352 D HA -0.198 4.448 4.640 0.011 0.000 0.195 352 D C 1.914 178.181 176.300 -0.054 0.000 0.997 352 D CA 1.851 55.816 54.000 -0.057 0.000 0.840 352 D CB 0.051 40.827 40.800 -0.039 0.000 0.947 352 D HN 0.705 nan 8.370 nan 0.000 0.452 353 A N 0.606 123.400 122.820 -0.044 0.000 1.969 353 A HA -0.171 4.155 4.320 0.011 0.000 0.218 353 A C 2.061 179.614 177.584 -0.051 0.000 1.169 353 A CA 1.334 53.348 52.037 -0.038 0.000 0.635 353 A CB -0.367 18.618 19.000 -0.024 0.000 0.810 353 A HN 0.221 nan 8.150 nan 0.000 0.445 354 E N -0.642 119.521 120.200 -0.062 0.000 2.028 354 E HA -0.164 4.193 4.350 0.011 0.000 0.190 354 E C 2.284 178.831 176.600 -0.089 0.000 0.984 354 E CA 1.000 57.354 56.400 -0.077 0.000 0.800 354 E CB -0.213 29.439 29.700 -0.079 0.000 0.758 354 E HN 0.574 nan 8.360 nan 0.000 0.448 355 R N 0.795 121.219 120.500 -0.126 0.000 2.096 355 R HA -0.214 4.133 4.340 0.011 0.000 0.240 355 R C 2.229 178.501 176.300 -0.047 0.000 1.139 355 R CA 1.589 57.605 56.100 -0.140 0.000 0.952 355 R CB -0.251 29.938 30.300 -0.186 0.000 0.854 355 R HN 0.178 nan 8.270 nan 0.000 0.436 356 A N 0.409 123.200 122.820 -0.049 0.000 1.898 356 A HA -0.050 4.276 4.320 0.011 0.000 0.216 356 A C 2.339 179.901 177.584 -0.037 0.000 1.181 356 A CA 1.515 53.532 52.037 -0.033 0.000 0.620 356 A CB -0.687 18.294 19.000 -0.032 0.000 0.819 356 A HN 0.547 nan 8.150 nan 0.000 0.442 357 A N -0.029 122.758 122.820 -0.055 0.000 1.902 357 A HA -0.096 4.230 4.320 0.011 0.000 0.217 357 A C 2.096 179.639 177.584 -0.068 0.000 1.181 357 A CA 1.600 53.590 52.037 -0.079 0.000 0.623 357 A CB -0.591 18.345 19.000 -0.107 0.000 0.818 357 A HN 0.499 nan 8.150 nan 0.000 0.443 358 I N -0.992 119.555 120.570 -0.037 0.000 2.252 358 I HA -0.185 3.991 4.170 0.011 0.000 0.245 358 I C 2.449 178.567 176.117 0.002 0.000 1.102 358 I CA 1.550 62.845 61.300 -0.009 0.000 1.385 358 I CB -0.209 37.844 38.000 0.087 0.000 1.064 358 I HN 0.305 nan 8.210 nan 0.000 0.414 359 E N 1.297 121.510 120.200 0.020 0.000 2.204 359 E HA -0.222 4.135 4.350 0.011 0.000 0.195 359 E C 1.891 178.486 176.600 -0.009 0.000 0.990 359 E CA 1.151 57.561 56.400 0.016 0.000 0.821 359 E CB -0.074 29.641 29.700 0.025 0.000 0.750 359 E HN 0.398 nan 8.360 nan 0.000 0.477 360 E N -0.489 119.699 120.200 -0.021 0.000 2.267 360 E HA -0.173 4.183 4.350 0.011 0.000 0.197 360 E C 1.208 177.791 176.600 -0.028 0.000 0.998 360 E CA 0.772 57.157 56.400 -0.026 0.000 0.830 360 E CB 0.018 29.695 29.700 -0.037 0.000 0.751 360 E HN 0.369 nan 8.360 nan 0.000 0.491 361 I N -0.245 120.305 120.570 -0.034 0.000 3.645 361 I HA -0.072 4.104 4.170 0.011 0.000 0.300 361 I C 2.149 178.242 176.117 -0.040 0.000 1.260 361 I CA 0.392 61.668 61.300 -0.040 0.000 1.365 361 I CB -0.682 37.289 38.000 -0.048 0.000 1.077 361 I HN -0.053 nan 8.210 nan 0.000 0.439 362 V N 2.970 122.864 119.914 -0.033 0.000 2.324 362 V HA -0.180 3.946 4.120 0.011 0.000 0.250 362 V C -0.093 175.982 176.094 -0.032 0.000 1.060 362 V CA 2.267 64.548 62.300 -0.033 0.000 1.042 362 V CB -1.948 29.859 31.823 -0.026 0.000 0.650 362 V HN 0.276 nan 8.190 nan 0.000 0.450 363 P HA -0.094 nan 4.420 nan 0.000 0.222 363 P C 1.571 178.848 177.300 -0.039 0.000 1.147 363 P CA 0.950 64.034 63.100 -0.027 0.000 0.790 363 P CB -0.086 31.602 31.700 -0.019 0.000 0.780 364 L N -1.581 119.611 121.223 -0.051 0.000 2.275 364 L HA -0.090 4.257 4.340 0.011 0.000 0.215 364 L C 2.244 179.057 176.870 -0.095 0.000 1.119 364 L CA 1.333 56.125 54.840 -0.080 0.000 0.790 364 L CB -1.435 40.568 42.059 -0.093 0.000 0.919 364 L HN -0.041 nan 8.230 nan 0.000 0.443 365 L N -0.759 120.422 121.223 -0.069 0.000 2.131 365 L HA -0.196 4.151 4.340 0.011 0.000 0.210 365 L C 2.576 179.411 176.870 -0.058 0.000 1.092 365 L CA 1.034 55.837 54.840 -0.063 0.000 0.759 365 L CB -0.789 41.246 42.059 -0.040 0.000 0.903 365 L HN 0.297 nan 8.230 nan 0.000 0.435 366 A N -0.625 122.166 122.820 -0.048 0.000 2.121 366 A HA -0.165 4.161 4.320 0.011 0.000 0.218 366 A C 1.550 179.109 177.584 -0.041 0.000 1.154 366 A CA 1.477 53.495 52.037 -0.033 0.000 0.679 366 A CB -0.289 18.697 19.000 -0.023 0.000 0.795 366 A HN 0.350 nan 8.150 nan 0.000 0.458 367 D N -0.621 119.730 120.400 -0.082 0.000 2.349 367 D HA 0.225 4.872 4.640 0.011 0.000 0.214 367 D C 0.678 176.868 176.300 -0.184 0.000 1.063 367 D CA 0.067 54.003 54.000 -0.107 0.000 0.847 367 D CB 0.192 40.916 40.800 -0.128 0.000 0.933 367 D HN 0.459 nan 8.370 nan 0.000 0.513 368 I N 0.000 120.477 120.570 -0.155 0.000 2.984 368 I HA 0.000 4.176 4.170 0.011 0.000 0.288 368 I CA 0.000 61.224 61.300 -0.127 0.000 1.566 368 I CB 0.000 37.974 38.000 -0.043 0.000 1.214 368 I HN 0.000 nan 8.210 nan 0.000 0.494