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 2ius_1_E DATA FIRST_RESID 840 DATA SEQUENCE LPSLDLLTPP XXXXXXXXTF ALEQMARLVE ARLADFRIKA DVVNYSPGPV DATA SEQUENCE ITRFELNLAP XXXXXXXXXX XXDLARSLST VAVRVVEVIP GKPYVGLELP DATA SEQUENCE NKKRQTVYLR EVLDNAKFRD NPSPLTVVLG KDIAGEPVVA DLAKMPHLLV DATA SEQUENCE AGTTGSGASV GVNAMILSML YKAQPEDVRF IMIDPKMLEL SVYEGIPHLL DATA SEQUENCE TEVVTDMKDA ANALRWCVNE MERRYKLMSA LGVRNLAGYN EKIAEADRMM DATA SEQUENCE RPIPDPYWXX XXXXXXXHPV LKKEPYIVVL VDEFADLMMT VGKKVEELIA DATA SEQUENCE RLAQKARAAG IHLVLATQRP SVDVITGLIK ANIPTRIAFT VSSKIDSRTI DATA SEQUENCE LDQAGAESLL GMGDMLYSGP NSTLPVRVHG AFVRDQEVHA VVQDWKARGR DATA SEQUENCE PQYVDGITSD 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 840 L HA 0.000 nan 4.340 nan 0.000 0.249 840 L C 0.000 176.698 176.870 -0.287 0.000 1.165 840 L CA 0.000 54.726 54.840 -0.190 0.000 0.813 840 L CB 0.000 41.862 42.059 -0.328 0.000 0.961 841 P HA 0.070 nan 4.420 nan 0.000 0.271 841 P C -0.177 176.987 177.300 -0.227 0.000 1.216 841 P CA 0.565 63.406 63.100 -0.433 0.000 0.776 841 P CB 1.385 32.725 31.700 -0.600 0.000 0.881 842 S N 1.371 117.030 115.700 -0.068 0.000 2.585 842 S HA 0.122 4.592 4.470 -0.000 0.000 0.273 842 S C 1.406 176.175 174.600 0.282 0.000 1.339 842 S CA -0.657 57.596 58.200 0.089 0.000 1.028 842 S CB -0.063 63.164 63.200 0.045 0.000 0.906 842 S HN 0.412 nan 8.310 nan 0.000 0.528 843 L N 2.194 123.587 121.223 0.284 0.000 2.622 843 L HA 0.008 4.348 4.340 -0.000 0.000 0.233 843 L C 1.025 177.964 176.870 0.116 0.000 1.156 843 L CA 0.604 55.575 54.840 0.218 0.000 0.866 843 L CB -0.385 41.728 42.059 0.090 0.000 0.980 843 L HN 0.727 nan 8.230 nan 0.000 0.448 844 D N -1.077 119.387 120.400 0.106 0.000 2.328 844 D HA -0.054 4.586 4.640 -0.000 0.000 0.221 844 D C 1.643 177.986 176.300 0.072 0.000 1.072 844 D CA 0.184 54.223 54.000 0.066 0.000 0.850 844 D CB -0.141 40.685 40.800 0.043 0.000 0.922 844 D HN 0.259 nan 8.370 nan 0.000 0.516 845 L N -0.589 120.701 121.223 0.113 0.000 2.558 845 L HA 0.206 4.546 4.340 -0.000 0.000 0.225 845 L C 0.609 177.538 176.870 0.099 0.000 1.128 845 L CA 0.269 55.173 54.840 0.107 0.000 0.868 845 L CB -0.019 42.125 42.059 0.142 0.000 1.006 845 L HN 0.000 nan 8.230 nan 0.000 0.454 846 L N -0.749 120.526 121.223 0.088 0.000 2.334 846 L HA 0.340 4.679 4.340 -0.000 0.000 0.273 846 L C 0.570 177.475 176.870 0.059 0.000 1.013 846 L CA -0.585 54.291 54.840 0.059 0.000 0.816 846 L CB 1.780 43.845 42.059 0.011 0.000 1.278 846 L HN -0.101 nan 8.230 nan 0.000 0.431 847 T N 1.245 115.857 114.554 0.096 0.000 2.916 847 T HA 0.289 4.639 4.350 -0.000 0.000 0.303 847 T C -2.378 172.356 174.700 0.057 0.000 1.025 847 T CA -0.938 61.228 62.100 0.109 0.000 1.142 847 T CB 0.804 69.798 68.868 0.210 0.000 0.947 847 T HN 0.252 nan 8.240 nan 0.000 0.544 848 P HA 0.352 nan 4.420 nan 0.000 0.277 848 P C -2.094 174.933 177.300 -0.454 0.000 1.240 848 P CA -1.464 61.538 63.100 -0.165 0.000 0.798 848 P CB -0.024 31.610 31.700 -0.110 0.000 0.979 859 F N 3.746 123.716 119.950 0.032 0.000 2.084 859 F HA 0.476 5.003 4.527 -0.000 0.000 0.296 859 F C 2.600 178.403 175.800 0.005 0.000 1.111 859 F CA 1.735 59.751 58.000 0.026 0.000 1.224 859 F CB -0.840 38.172 39.000 0.021 0.000 0.991 859 F HN 0.319 nan 8.300 nan 0.000 0.471 860 A N 0.901 123.615 122.820 -0.178 0.000 1.986 860 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 860 A C 2.342 179.768 177.584 -0.263 0.000 1.171 860 A CA 1.995 53.865 52.037 -0.277 0.000 0.640 860 A CB -1.218 17.738 19.000 -0.073 0.000 0.811 860 A HN 0.551 nan 8.150 nan 0.000 0.451 861 L N -1.500 119.595 121.223 -0.213 0.000 1.993 861 L HA -0.155 4.185 4.340 -0.000 0.000 0.206 861 L C 2.630 179.328 176.870 -0.287 0.000 1.074 861 L CA 1.773 56.447 54.840 -0.277 0.000 0.746 861 L CB -0.683 41.041 42.059 -0.558 0.000 0.896 861 L HN 0.467 nan 8.230 nan 0.000 0.435 862 E N -0.504 119.562 120.200 -0.223 0.000 2.209 862 E HA -0.251 4.099 4.350 -0.000 0.000 0.196 862 E C 2.294 178.824 176.600 -0.117 0.000 0.993 862 E CA 0.933 57.316 56.400 -0.029 0.000 0.819 862 E CB 0.194 29.967 29.700 0.122 0.000 0.745 862 E HN 0.359 nan 8.360 nan 0.000 0.477 863 Q N -0.269 119.357 119.800 -0.289 0.000 2.046 863 Q HA -0.168 4.172 4.340 -0.000 0.000 0.200 863 Q C 2.127 177.990 176.000 -0.228 0.000 0.975 863 Q CA 1.256 56.874 55.803 -0.309 0.000 0.836 863 Q CB -0.281 28.136 28.738 -0.535 0.000 0.896 863 Q HN 0.328 nan 8.270 nan 0.000 0.428 864 M N 0.547 119.997 119.600 -0.250 0.000 2.117 864 M HA -0.046 4.434 4.480 -0.000 0.000 0.262 864 M C 1.892 177.955 176.300 -0.395 0.000 1.065 864 M CA 1.793 56.921 55.300 -0.287 0.000 1.114 864 M CB -0.636 31.802 32.600 -0.270 0.000 1.361 864 M HN 0.109 nan 8.290 nan 0.000 0.408 865 A N -0.263 122.359 122.820 -0.330 0.000 1.933 865 A HA -0.178 4.141 4.320 -0.000 0.000 0.218 865 A C 2.384 179.885 177.584 -0.139 0.000 1.175 865 A CA 1.907 53.790 52.037 -0.256 0.000 0.628 865 A CB -0.721 18.389 19.000 0.183 0.000 0.814 865 A HN 0.596 nan 8.150 nan 0.000 0.444 866 R N -0.639 119.802 120.500 -0.098 0.000 2.090 866 R HA 0.055 4.395 4.340 -0.000 0.000 0.228 866 R C 1.928 178.179 176.300 -0.082 0.000 1.110 866 R CA 1.098 57.161 56.100 -0.061 0.000 0.973 866 R CB -0.288 29.986 30.300 -0.045 0.000 0.869 866 R HN 0.542 nan 8.270 nan 0.000 0.440 867 L N -0.166 120.984 121.223 -0.120 0.000 2.109 867 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 867 L C 2.245 179.048 176.870 -0.111 0.000 1.086 867 L CA 0.677 55.455 54.840 -0.105 0.000 0.760 867 L CB -0.238 41.749 42.059 -0.119 0.000 0.910 867 L HN 0.069 nan 8.230 nan 0.000 0.437 868 V N -0.009 119.797 119.914 -0.180 0.000 2.295 868 V HA -0.302 3.818 4.120 -0.000 0.000 0.246 868 V C 2.432 178.466 176.094 -0.101 0.000 1.049 868 V CA 2.021 64.211 62.300 -0.182 0.000 1.024 868 V CB -0.420 31.213 31.823 -0.317 0.000 0.648 868 V HN 0.479 nan 8.190 nan 0.000 0.447 869 E N -0.084 120.066 120.200 -0.083 0.000 2.153 869 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 869 E C 2.186 178.778 176.600 -0.012 0.000 0.988 869 E CA 1.186 57.564 56.400 -0.036 0.000 0.811 869 E CB -0.170 29.517 29.700 -0.023 0.000 0.746 869 E HN 0.593 nan 8.360 nan 0.000 0.466 870 A N 1.087 123.896 122.820 -0.019 0.000 1.872 870 A HA -0.118 4.202 4.320 -0.000 0.000 0.214 870 A C 2.093 179.699 177.584 0.037 0.000 1.187 870 A CA 0.921 52.960 52.037 0.003 0.000 0.614 870 A CB -0.264 18.729 19.000 -0.012 0.000 0.826 870 A HN 0.078 nan 8.150 nan 0.000 0.442 871 R N -0.122 120.399 120.500 0.035 0.000 2.096 871 R HA -0.006 4.334 4.340 -0.000 0.000 0.235 871 R C 2.041 178.456 176.300 0.193 0.000 1.127 871 R CA 1.083 57.249 56.100 0.111 0.000 0.968 871 R CB -1.134 29.199 30.300 0.055 0.000 0.861 871 R HN 0.584 nan 8.270 nan 0.000 0.440 872 L N 0.158 121.421 121.223 0.067 0.000 2.005 872 L HA -0.070 4.269 4.340 -0.000 0.000 0.207 872 L C 2.498 179.456 176.870 0.147 0.000 1.072 872 L CA 1.387 56.248 54.840 0.034 0.000 0.744 872 L CB -0.667 41.376 42.059 -0.027 0.000 0.895 872 L HN 0.123 nan 8.230 nan 0.000 0.433 873 A N -0.686 122.196 122.820 0.104 0.000 2.125 873 A HA -0.245 4.074 4.320 -0.000 0.000 0.219 873 A C 1.865 179.525 177.584 0.126 0.000 1.156 873 A CA 1.637 53.731 52.037 0.095 0.000 0.671 873 A CB -0.545 18.484 19.000 0.048 0.000 0.794 873 A HN 0.403 nan 8.150 nan 0.000 0.459 874 D N -1.549 118.965 120.400 0.190 0.000 2.309 874 D HA -0.003 4.637 4.640 -0.000 0.000 0.212 874 D C 0.191 176.467 176.300 -0.041 0.000 0.968 874 D CA 0.652 54.697 54.000 0.076 0.000 0.882 874 D CB -0.047 40.795 40.800 0.071 0.000 0.918 874 D HN 0.326 nan 8.370 nan 0.000 0.503 875 F N -1.009 118.934 119.950 -0.012 0.000 2.732 875 F HA 0.429 4.956 4.527 -0.000 0.000 0.394 875 F C 1.226 177.022 175.800 -0.006 0.000 1.194 875 F CA -1.128 56.867 58.000 -0.008 0.000 1.127 875 F CB 0.144 39.139 39.000 -0.008 0.000 1.470 875 F HN -0.497 nan 8.300 nan 0.000 0.505 876 R N 1.043 121.675 120.500 0.220 0.000 3.298 876 R HA 0.356 4.695 4.340 -0.000 0.000 0.249 876 R C -1.318 175.040 176.300 0.096 0.000 1.563 876 R CA 0.350 56.518 56.100 0.113 0.000 1.378 876 R CB -1.603 28.746 30.300 0.082 0.000 1.250 876 R HN 0.486 nan 8.270 nan 0.000 0.580 877 I N 1.022 121.661 120.570 0.115 0.000 2.420 877 I HA 0.263 4.433 4.170 -0.000 0.000 0.282 877 I C -0.160 175.987 176.117 0.049 0.000 1.019 877 I CA -0.776 60.558 61.300 0.058 0.000 1.130 877 I CB 1.478 39.483 38.000 0.010 0.000 1.262 877 I HN -0.056 nan 8.210 nan 0.000 0.454 878 K N 6.208 126.628 120.400 0.033 0.000 2.265 878 K HA 0.838 5.158 4.320 -0.000 0.000 0.267 878 K C -1.313 175.294 176.600 0.012 0.000 0.994 878 K CA -0.206 56.096 56.287 0.024 0.000 0.860 878 K CB 1.826 34.339 32.500 0.022 0.000 1.099 878 K HN 0.762 nan 8.250 nan 0.000 0.448 879 A N 3.841 126.664 122.820 0.004 0.000 2.594 879 A HA 0.487 4.807 4.320 -0.000 0.000 0.295 879 A C -1.781 175.794 177.584 -0.015 0.000 1.071 879 A CA -0.881 51.152 52.037 -0.006 0.000 0.685 879 A CB 1.298 20.294 19.000 -0.008 0.000 1.285 879 A HN 0.673 nan 8.150 nan 0.000 0.405 880 D N 0.906 121.286 120.400 -0.034 0.000 2.278 880 D HA 0.447 5.087 4.640 -0.000 0.000 0.245 880 D C -0.542 175.720 176.300 -0.063 0.000 1.052 880 D CA -0.134 53.838 54.000 -0.045 0.000 0.834 880 D CB 1.937 42.700 40.800 -0.063 0.000 1.194 880 D HN 0.149 nan 8.370 nan 0.000 0.481 881 V N 3.062 122.968 119.914 -0.013 0.000 2.313 881 V HA 0.009 4.129 4.120 -0.000 0.000 0.252 881 V C 1.698 177.789 176.094 -0.005 0.000 1.112 881 V CA -0.265 62.061 62.300 0.044 0.000 0.984 881 V CB 0.507 32.427 31.823 0.161 0.000 1.157 881 V HN 0.518 nan 8.190 nan 0.000 0.493 882 V N 1.393 121.219 119.914 -0.147 0.000 3.217 882 V HA 0.216 4.336 4.120 -0.000 0.000 0.264 882 V C 0.678 176.672 176.094 -0.167 0.000 1.135 882 V CA 1.046 63.221 62.300 -0.208 0.000 1.142 882 V CB -0.873 30.681 31.823 -0.449 0.000 0.754 882 V HN 0.869 nan 8.190 nan 0.000 0.484 883 N N -0.641 117.987 118.700 -0.119 0.000 3.322 883 N HA 0.426 5.166 4.740 -0.000 0.000 0.233 883 N C -2.213 173.233 175.510 -0.107 0.000 1.399 883 N CA -0.309 52.617 53.050 -0.206 0.000 0.894 883 N CB 1.933 40.356 38.487 -0.108 0.000 1.440 883 N HN 0.315 nan 8.380 nan 0.000 0.503 884 Y N -0.937 119.293 120.300 -0.116 0.000 2.521 884 Y HA 0.588 5.138 4.550 -0.000 0.000 0.332 884 Y C -1.582 174.172 175.900 -0.243 0.000 1.121 884 Y CA -1.106 56.804 58.100 -0.316 0.000 1.037 884 Y CB 0.959 38.999 38.460 -0.700 0.000 1.330 884 Y HN 0.353 nan 8.280 nan 0.000 0.452 885 S N 2.603 118.283 115.700 -0.034 0.000 2.605 885 S HA 0.720 5.189 4.470 -0.000 0.000 0.308 885 S C -3.213 171.363 174.600 -0.039 0.000 1.113 885 S CA -1.482 56.712 58.200 -0.009 0.000 1.049 885 S CB 2.276 65.469 63.200 -0.013 0.000 1.001 885 S HN 0.616 nan 8.310 nan 0.000 0.480 886 P HA 0.554 nan 4.420 nan 0.000 0.288 886 P C 0.048 177.354 177.300 0.011 0.000 1.267 886 P CA -0.076 63.012 63.100 -0.021 0.000 0.815 886 P CB 1.584 33.279 31.700 -0.009 0.000 0.989 887 G N 1.910 110.723 108.800 0.023 0.000 3.222 887 G HA2 0.513 4.473 3.960 -0.000 0.000 0.263 887 G HA3 0.513 4.473 3.960 -0.000 0.000 0.263 887 G C -2.238 172.684 174.900 0.036 0.000 1.312 887 G CA -1.132 43.999 45.100 0.053 0.000 0.934 887 G HN 0.131 nan 8.290 nan 0.000 0.577 888 P HA 0.090 nan 4.420 nan 0.000 0.220 888 P C 1.380 178.621 177.300 -0.098 0.000 1.152 888 P CA 0.554 63.655 63.100 0.002 0.000 0.812 888 P CB 0.372 32.104 31.700 0.052 0.000 0.792 889 V N -1.639 118.143 119.914 -0.219 0.000 2.911 889 V HA 0.163 4.283 4.120 -0.000 0.000 0.237 889 V C 1.097 177.100 176.094 -0.151 0.000 1.156 889 V CA 0.526 62.622 62.300 -0.339 0.000 1.180 889 V CB -0.233 31.033 31.823 -0.929 0.000 0.932 889 V HN -0.073 nan 8.190 nan 0.000 0.483 890 I N -2.591 117.950 120.570 -0.049 0.000 3.294 890 I HA 0.779 4.949 4.170 -0.000 0.000 0.311 890 I C -0.554 175.587 176.117 0.040 0.000 1.111 890 I CA -0.477 60.842 61.300 0.031 0.000 0.976 890 I CB 1.910 39.963 38.000 0.088 0.000 1.260 890 I HN -0.162 nan 8.210 nan 0.000 0.474 891 T N 1.408 115.986 114.554 0.041 0.000 2.879 891 T HA 0.462 4.811 4.350 -0.000 0.000 0.290 891 T C -0.722 173.932 174.700 -0.077 0.000 0.993 891 T CA -0.511 61.549 62.100 -0.066 0.000 0.975 891 T CB 1.125 69.901 68.868 -0.154 0.000 0.981 891 T HN 0.717 nan 8.240 nan 0.000 0.439 892 R N 3.092 123.523 120.500 -0.116 0.000 2.221 892 R HA 0.464 4.804 4.340 -0.000 0.000 0.327 892 R C -1.306 174.905 176.300 -0.149 0.000 1.033 892 R CA -0.414 55.668 56.100 -0.029 0.000 0.887 892 R CB 0.249 30.562 30.300 0.022 0.000 1.057 892 R HN 0.424 nan 8.270 nan 0.000 0.455 893 F N 2.891 122.896 119.950 0.092 0.000 2.415 893 F HA 0.250 4.777 4.527 -0.000 0.000 0.348 893 F C 0.255 176.108 175.800 0.088 0.000 1.119 893 F CA -0.526 57.543 58.000 0.115 0.000 1.069 893 F CB 1.698 40.742 39.000 0.072 0.000 1.124 893 F HN 0.415 nan 8.300 nan 0.000 0.472 894 E N 5.133 125.459 120.200 0.209 0.000 2.046 894 E HA 0.356 4.706 4.350 -0.000 0.000 0.279 894 E C -0.776 175.859 176.600 0.059 0.000 0.989 894 E CA -0.341 56.154 56.400 0.160 0.000 0.798 894 E CB 1.047 30.866 29.700 0.198 0.000 1.086 894 E HN 0.495 nan 8.360 nan 0.000 0.399 895 L N 2.770 124.037 121.223 0.074 0.000 2.379 895 L HA 0.340 4.680 4.340 -0.000 0.000 0.269 895 L C 0.281 177.125 176.870 -0.043 0.000 1.084 895 L CA -0.871 53.970 54.840 0.001 0.000 0.802 895 L CB 0.732 42.810 42.059 0.032 0.000 1.175 895 L HN 0.427 nan 8.230 nan 0.000 0.448 896 N N 2.532 121.172 118.700 -0.100 0.000 2.800 896 N HA 0.343 5.083 4.740 -0.000 0.000 0.240 896 N C -0.730 174.780 175.510 -0.001 0.000 1.096 896 N CA -0.392 52.619 53.050 -0.065 0.000 0.877 896 N CB 0.354 38.729 38.487 -0.186 0.000 1.138 896 N HN 0.464 nan 8.380 nan 0.000 0.509 897 L N 1.237 122.481 121.223 0.035 0.000 2.492 897 L HA 0.258 4.598 4.340 -0.000 0.000 0.280 897 L C 1.231 178.118 176.870 0.029 0.000 1.240 897 L CA -0.456 54.401 54.840 0.027 0.000 0.831 897 L CB 0.182 42.261 42.059 0.032 0.000 1.100 897 L HN 0.453 nan 8.230 nan 0.000 0.505 898 A N 2.578 125.411 122.820 0.022 0.000 2.259 898 A HA 0.575 4.894 4.320 -0.000 0.000 0.278 898 A C -1.731 175.868 177.584 0.025 0.000 1.107 898 A CA -1.112 50.938 52.037 0.022 0.000 0.828 898 A CB -0.725 18.286 19.000 0.018 0.000 1.111 898 A HN 0.659 nan 8.150 nan 0.000 0.498 913 L N 1.294 122.473 121.223 -0.074 0.000 2.079 913 L HA -0.006 4.334 4.340 -0.000 0.000 0.210 913 L C 1.732 178.574 176.870 -0.047 0.000 1.081 913 L CA 1.860 56.642 54.840 -0.097 0.000 0.752 913 L CB -0.089 41.870 42.059 -0.167 0.000 0.896 913 L HN 0.105 nan 8.230 nan 0.000 0.433 914 A N -0.740 122.058 122.820 -0.036 0.000 2.261 914 A HA -0.095 4.225 4.320 -0.000 0.000 0.208 914 A C 2.025 179.603 177.584 -0.009 0.000 1.223 914 A CA 0.516 52.539 52.037 -0.023 0.000 0.833 914 A CB -0.438 18.553 19.000 -0.015 0.000 0.830 914 A HN 0.526 nan 8.150 nan 0.000 0.483 915 R N -1.437 119.064 120.500 0.002 0.000 2.549 915 R HA 0.189 4.528 4.340 -0.000 0.000 0.344 915 R C 0.492 176.806 176.300 0.023 0.000 0.979 915 R CA 0.623 56.731 56.100 0.013 0.000 1.140 915 R CB 0.359 30.673 30.300 0.023 0.000 1.377 915 R HN 0.312 nan 8.270 nan 0.000 0.541 916 S N 0.104 115.818 115.700 0.024 0.000 2.548 916 S HA 0.198 4.668 4.470 -0.000 0.000 0.215 916 S C -0.047 174.555 174.600 0.003 0.000 0.976 916 S CA 0.226 58.447 58.200 0.036 0.000 0.908 916 S CB 0.198 63.443 63.200 0.074 0.000 0.781 916 S HN 0.078 nan 8.310 nan 0.000 0.519 917 L N -0.994 120.220 121.223 -0.015 0.000 2.205 917 L HA 0.573 4.912 4.340 -0.000 0.000 0.242 917 L C 0.281 177.136 176.870 -0.025 0.000 1.115 917 L CA -0.535 54.286 54.840 -0.031 0.000 0.987 917 L CB 0.455 42.478 42.059 -0.059 0.000 1.568 917 L HN -0.129 nan 8.230 nan 0.000 0.450 918 S N -0.232 115.451 115.700 -0.029 0.000 2.257 918 S HA 0.491 4.961 4.470 -0.000 0.000 0.191 918 S C -0.713 173.876 174.600 -0.020 0.000 1.386 918 S CA -0.311 57.877 58.200 -0.020 0.000 1.233 918 S CB -0.809 62.381 63.200 -0.017 0.000 1.138 918 S HN 0.685 nan 8.310 nan 0.000 0.483 919 T N -0.320 114.222 114.554 -0.019 0.000 2.807 919 T HA 0.425 4.774 4.350 -0.000 0.000 0.279 919 T C 1.450 176.146 174.700 -0.007 0.000 0.993 919 T CA -0.770 61.322 62.100 -0.013 0.000 0.970 919 T CB 1.396 70.257 68.868 -0.013 0.000 0.950 919 T HN 0.036 nan 8.240 nan 0.000 0.441 920 V N 1.545 121.457 119.914 -0.004 0.000 2.357 920 V HA -0.024 4.096 4.120 -0.000 0.000 0.257 920 V C 1.439 177.536 176.094 0.005 0.000 1.082 920 V CA 2.347 64.648 62.300 0.001 0.000 1.078 920 V CB -1.471 30.354 31.823 0.003 0.000 0.663 920 V HN 1.313 nan 8.190 nan 0.000 0.455 921 A N -2.291 120.533 122.820 0.006 0.000 2.544 921 A HA 0.669 4.988 4.320 -0.000 0.000 0.291 921 A C -1.487 176.103 177.584 0.011 0.000 1.055 921 A CA -0.322 51.720 52.037 0.009 0.000 0.651 921 A CB 1.369 20.379 19.000 0.016 0.000 1.296 921 A HN 0.105 nan 8.150 nan 0.000 0.431 922 V N 0.469 120.388 119.914 0.009 0.000 2.709 922 V HA 0.704 4.823 4.120 -0.000 0.000 0.308 922 V C -0.106 175.999 176.094 0.020 0.000 1.062 922 V CA -0.575 61.733 62.300 0.013 0.000 0.901 922 V CB 1.917 33.734 31.823 -0.009 0.000 1.003 922 V HN 0.955 nan 8.190 nan 0.000 0.425 923 R N 2.841 123.363 120.500 0.037 0.000 2.310 923 R HA 0.642 4.982 4.340 -0.000 0.000 0.324 923 R C -1.366 174.956 176.300 0.037 0.000 0.955 923 R CA -0.418 55.703 56.100 0.036 0.000 0.830 923 R CB 1.623 31.951 30.300 0.048 0.000 1.154 923 R HN 0.553 nan 8.270 nan 0.000 0.458 924 V N 6.357 126.284 119.914 0.021 0.000 2.338 924 V HA 0.112 4.231 4.120 -0.000 0.000 0.255 924 V C -0.084 176.024 176.094 0.024 0.000 1.082 924 V CA -0.448 61.863 62.300 0.018 0.000 0.951 924 V CB 1.064 32.886 31.823 -0.002 0.000 1.102 924 V HN 0.514 nan 8.190 nan 0.000 0.489 925 V N 5.035 124.971 119.914 0.036 0.000 2.356 925 V HA 0.108 4.228 4.120 -0.000 0.000 0.258 925 V C 1.509 177.622 176.094 0.032 0.000 1.065 925 V CA 0.006 62.326 62.300 0.033 0.000 0.935 925 V CB 0.682 32.529 31.823 0.040 0.000 1.061 925 V HN 0.996 nan 8.190 nan 0.000 0.484 926 E N 4.395 124.607 120.200 0.021 0.000 2.097 926 E HA -0.199 4.151 4.350 -0.000 0.000 0.196 926 E C 0.689 177.303 176.600 0.023 0.000 1.000 926 E CA 1.436 57.847 56.400 0.019 0.000 0.804 926 E CB 0.330 30.037 29.700 0.011 0.000 0.740 926 E HN 0.514 nan 8.360 nan 0.000 0.454 927 V N 1.408 121.333 119.914 0.017 0.000 2.483 927 V HA 0.366 4.485 4.120 -0.000 0.000 0.297 927 V C -0.852 175.250 176.094 0.012 0.000 1.027 927 V CA -0.736 61.571 62.300 0.012 0.000 0.855 927 V CB 1.481 33.304 31.823 0.001 0.000 0.995 927 V HN 0.134 nan 8.190 nan 0.000 0.424 928 I N 9.579 130.157 120.570 0.013 0.000 2.304 928 I HA 0.388 4.558 4.170 -0.000 0.000 0.291 928 I C -1.973 174.136 176.117 -0.014 0.000 1.018 928 I CA -1.975 59.332 61.300 0.011 0.000 1.260 928 I CB 1.883 39.902 38.000 0.032 0.000 1.390 928 I HN 0.489 nan 8.210 nan 0.000 0.475 929 P HA -0.015 nan 4.420 nan 0.000 0.257 929 P C 0.820 178.100 177.300 -0.034 0.000 1.189 929 P CA 0.795 63.883 63.100 -0.021 0.000 0.780 929 P CB 0.623 32.316 31.700 -0.012 0.000 0.772 930 G N 2.955 111.726 108.800 -0.049 0.000 2.213 930 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.236 930 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.236 930 G C -0.006 174.826 174.900 -0.114 0.000 0.991 930 G CA -0.126 44.934 45.100 -0.066 0.000 0.629 930 G HN 0.573 nan 8.290 nan 0.000 0.517 931 K N 0.330 120.644 120.400 -0.144 0.000 2.385 931 K HA 0.547 4.867 4.320 -0.000 0.000 0.248 931 K C -1.927 174.497 176.600 -0.294 0.000 0.955 931 K CA -1.538 54.573 56.287 -0.293 0.000 0.816 931 K CB 2.943 35.253 32.500 -0.316 0.000 1.250 931 K HN -0.046 nan 8.250 nan 0.000 0.434 932 P HA -0.030 nan 4.420 nan 0.000 0.249 932 P C -0.658 176.610 177.300 -0.052 0.000 1.229 932 P CA 0.415 63.377 63.100 -0.232 0.000 0.788 932 P CB 0.235 31.812 31.700 -0.205 0.000 1.072 933 Y N -0.546 119.760 120.300 0.011 0.000 2.326 933 Y HA 0.319 4.869 4.550 -0.000 0.000 0.324 933 Y C 1.144 177.056 175.900 0.020 0.000 1.291 933 Y CA -1.634 56.476 58.100 0.018 0.000 1.348 933 Y CB 0.882 39.355 38.460 0.022 0.000 1.294 933 Y HN -0.398 nan 8.280 nan 0.000 0.525 934 V N 1.297 121.335 119.914 0.206 0.000 2.481 934 V HA 0.408 4.528 4.120 -0.000 0.000 0.286 934 V C 0.437 176.605 176.094 0.122 0.000 1.042 934 V CA -0.665 61.706 62.300 0.118 0.000 0.928 934 V CB 1.233 33.103 31.823 0.078 0.000 0.986 934 V HN 0.919 nan 8.190 nan 0.000 0.462 935 G N 4.329 113.187 108.800 0.098 0.000 2.356 935 G HA2 0.609 4.569 3.960 -0.000 0.000 0.298 935 G HA3 0.609 4.569 3.960 -0.000 0.000 0.298 935 G C -0.949 174.011 174.900 0.100 0.000 1.145 935 G CA -0.439 44.724 45.100 0.106 0.000 0.850 935 G HN 0.592 nan 8.290 nan 0.000 0.487 936 L N 2.297 123.606 121.223 0.143 0.000 2.415 936 L HA 0.322 4.662 4.340 -0.000 0.000 0.268 936 L C -0.327 176.669 176.870 0.209 0.000 0.984 936 L CA -0.468 54.455 54.840 0.139 0.000 0.853 936 L CB 1.910 44.040 42.059 0.118 0.000 1.215 936 L HN 0.573 nan 8.230 nan 0.000 0.419 937 E N 4.693 124.981 120.200 0.147 0.000 2.197 937 E HA 0.567 4.916 4.350 -0.000 0.000 0.281 937 E C -1.074 175.615 176.600 0.149 0.000 0.995 937 E CA -0.432 56.065 56.400 0.162 0.000 0.808 937 E CB 2.038 31.807 29.700 0.115 0.000 1.093 937 E HN 0.404 nan 8.360 nan 0.000 0.394 938 L N 4.843 126.187 121.223 0.200 0.000 2.362 938 L HA 0.504 4.844 4.340 -0.000 0.000 0.271 938 L C -2.259 174.676 176.870 0.108 0.000 1.002 938 L CA -2.471 52.452 54.840 0.138 0.000 0.818 938 L CB 1.945 44.095 42.059 0.151 0.000 1.298 938 L HN 0.358 nan 8.230 nan 0.000 0.420 939 P HA 0.098 nan 4.420 nan 0.000 0.275 939 P C -1.245 176.065 177.300 0.018 0.000 1.228 939 P CA -0.331 62.783 63.100 0.023 0.000 0.786 939 P CB 0.717 32.420 31.700 0.005 0.000 0.927 940 N N 1.399 120.097 118.700 -0.003 0.000 2.530 940 N HA 0.081 4.821 4.740 -0.000 0.000 0.277 940 N C 1.290 176.791 175.510 -0.014 0.000 1.168 940 N CA -0.613 52.434 53.050 -0.006 0.000 0.979 940 N CB 0.934 39.411 38.487 -0.017 0.000 1.141 940 N HN 0.319 nan 8.380 nan 0.000 0.459 941 K N 1.130 121.523 120.400 -0.011 0.000 2.063 941 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 941 K C 0.537 177.127 176.600 -0.016 0.000 1.048 941 K CA 1.141 57.421 56.287 -0.013 0.000 0.928 941 K CB 0.057 32.551 32.500 -0.009 0.000 0.713 941 K HN 0.431 nan 8.250 nan 0.000 0.442 942 K N 1.726 122.118 120.400 -0.014 0.000 2.293 942 K HA 0.156 4.475 4.320 -0.000 0.000 0.267 942 K C -1.060 175.523 176.600 -0.027 0.000 1.010 942 K CA -0.543 55.734 56.287 -0.016 0.000 0.875 942 K CB 1.180 33.676 32.500 -0.007 0.000 1.106 942 K HN -0.099 nan 8.250 nan 0.000 0.450 943 R N 3.609 124.086 120.500 -0.039 0.000 2.312 943 R HA 0.157 4.497 4.340 -0.000 0.000 0.311 943 R C -0.712 175.556 176.300 -0.053 0.000 1.004 943 R CA -0.378 55.686 56.100 -0.060 0.000 0.902 943 R CB 1.025 31.278 30.300 -0.078 0.000 1.073 943 R HN 0.627 nan 8.270 nan 0.000 0.457 944 Q N 1.655 121.424 119.800 -0.051 0.000 2.235 944 Q HA 0.217 4.557 4.340 -0.000 0.000 0.250 944 Q C -0.577 175.402 176.000 -0.035 0.000 0.909 944 Q CA -0.421 55.373 55.803 -0.014 0.000 0.910 944 Q CB 2.113 30.861 28.738 0.018 0.000 1.223 944 Q HN 0.556 nan 8.270 nan 0.000 0.432 945 T N 1.403 115.948 114.554 -0.014 0.000 2.889 945 T HA 0.285 4.635 4.350 -0.000 0.000 0.291 945 T C -0.333 174.346 174.700 -0.034 0.000 0.995 945 T CA -0.511 61.507 62.100 -0.137 0.000 1.092 945 T CB 0.764 69.415 68.868 -0.361 0.000 0.954 945 T HN 0.239 nan 8.240 nan 0.000 0.506 946 V N 4.324 124.200 119.914 -0.064 0.000 2.350 946 V HA 0.324 4.444 4.120 -0.000 0.000 0.276 946 V C -0.829 175.274 176.094 0.017 0.000 1.028 946 V CA -0.878 61.466 62.300 0.073 0.000 0.860 946 V CB 0.018 31.900 31.823 0.097 0.000 0.990 946 V HN 0.725 nan 8.190 nan 0.000 0.453 947 Y N 3.367 123.707 120.300 0.066 0.000 2.310 947 Y HA 0.340 4.890 4.550 -0.000 0.000 0.326 947 Y C 1.038 176.936 175.900 -0.003 0.000 1.151 947 Y CA -0.738 57.400 58.100 0.063 0.000 1.195 947 Y CB 1.140 39.625 38.460 0.041 0.000 1.210 947 Y HN 0.453 nan 8.280 nan 0.000 0.483 948 L N 2.303 123.577 121.223 0.084 0.000 1.989 948 L HA -0.257 4.083 4.340 -0.000 0.000 0.211 948 L C 2.597 179.402 176.870 -0.108 0.000 1.071 948 L CA 1.758 56.567 54.840 -0.053 0.000 0.749 948 L CB -0.197 41.796 42.059 -0.111 0.000 0.890 948 L HN 0.804 nan 8.230 nan 0.000 0.431 949 R N -0.008 120.449 120.500 -0.070 0.000 2.133 949 R HA -0.287 4.053 4.340 -0.000 0.000 0.247 949 R C 2.167 178.413 176.300 -0.090 0.000 1.151 949 R CA 2.212 58.239 56.100 -0.121 0.000 0.971 949 R CB -0.265 30.000 30.300 -0.057 0.000 0.866 949 R HN 0.495 nan 8.270 nan 0.000 0.447 950 E N -0.443 119.748 120.200 -0.016 0.000 2.077 950 E HA -0.152 4.197 4.350 -0.000 0.000 0.193 950 E C 1.700 178.282 176.600 -0.029 0.000 0.989 950 E CA 1.582 57.975 56.400 -0.011 0.000 0.800 950 E CB 0.163 29.888 29.700 0.041 0.000 0.746 950 E HN 0.273 nan 8.360 nan 0.000 0.452 951 V N 1.177 121.061 119.914 -0.050 0.000 2.719 951 V HA -0.153 3.967 4.120 -0.000 0.000 0.252 951 V C 2.263 178.265 176.094 -0.154 0.000 1.065 951 V CA 0.885 63.144 62.300 -0.068 0.000 1.086 951 V CB -0.232 31.551 31.823 -0.067 0.000 0.700 951 V HN 0.333 nan 8.190 nan 0.000 0.467 952 L N -0.114 120.932 121.223 -0.295 0.000 2.291 952 L HA -0.083 4.257 4.340 -0.000 0.000 0.214 952 L C 2.161 178.955 176.870 -0.128 0.000 1.120 952 L CA 1.274 55.817 54.840 -0.495 0.000 0.799 952 L CB -0.310 41.363 42.059 -0.642 0.000 0.925 952 L HN 0.382 nan 8.230 nan 0.000 0.446 953 D N -0.213 120.147 120.400 -0.067 0.000 2.333 953 D HA -0.067 4.573 4.640 -0.000 0.000 0.208 953 D C 0.710 177.040 176.300 0.050 0.000 0.984 953 D CA -0.016 53.989 54.000 0.009 0.000 0.873 953 D CB 0.265 41.057 40.800 -0.013 0.000 0.935 953 D HN 0.205 nan 8.370 nan 0.000 0.521 954 N N -0.596 118.137 118.700 0.054 0.000 2.371 954 N HA 0.118 4.858 4.740 -0.000 0.000 0.243 954 N C 0.836 176.409 175.510 0.105 0.000 1.287 954 N CA 0.465 53.556 53.050 0.069 0.000 0.911 954 N CB 1.118 39.641 38.487 0.060 0.000 1.142 954 N HN -0.087 nan 8.380 nan 0.000 0.451 955 A N 1.849 124.713 122.820 0.073 0.000 2.014 955 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 955 A C 1.786 179.408 177.584 0.063 0.000 1.163 955 A CA 1.089 53.164 52.037 0.063 0.000 0.652 955 A CB -0.362 18.661 19.000 0.038 0.000 0.808 955 A HN 0.780 nan 8.150 nan 0.000 0.449 956 K N -1.731 118.712 120.400 0.072 0.000 2.211 956 K HA -0.147 4.173 4.320 -0.000 0.000 0.204 956 K C 1.547 178.200 176.600 0.088 0.000 1.047 956 K CA 1.647 57.972 56.287 0.063 0.000 0.935 956 K CB -0.225 32.312 32.500 0.062 0.000 0.728 956 K HN 0.593 nan 8.250 nan 0.000 0.452 957 F N 0.665 120.612 119.950 -0.004 0.000 2.374 957 F HA 0.085 4.612 4.527 -0.000 0.000 0.291 957 F C 2.169 177.978 175.800 0.015 0.000 1.084 957 F CA 0.458 58.458 58.000 0.000 0.000 1.413 957 F CB 0.210 39.209 39.000 -0.003 0.000 1.099 957 F HN -0.252 nan 8.300 nan 0.000 0.534 958 R N 0.387 120.938 120.500 0.085 0.000 2.075 958 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 958 R C 1.596 177.856 176.300 -0.067 0.000 1.126 958 R CA 1.841 57.953 56.100 0.021 0.000 0.963 958 R CB -0.291 30.067 30.300 0.096 0.000 0.858 958 R HN 0.237 nan 8.270 nan 0.000 0.435 959 D N 0.037 120.408 120.400 -0.049 0.000 2.194 959 D HA -0.099 4.541 4.640 -0.000 0.000 0.204 959 D C 0.308 176.557 176.300 -0.084 0.000 0.964 959 D CA 0.559 54.529 54.000 -0.049 0.000 0.846 959 D CB -0.412 40.376 40.800 -0.021 0.000 0.962 959 D HN 0.036 nan 8.370 nan 0.000 0.490 960 N N 1.912 120.532 118.700 -0.132 0.000 2.440 960 N HA -0.032 4.708 4.740 -0.000 0.000 0.265 960 N C -1.537 173.880 175.510 -0.154 0.000 1.239 960 N CA -0.765 52.200 53.050 -0.141 0.000 0.909 960 N CB 1.502 39.883 38.487 -0.176 0.000 1.066 960 N HN 0.008 nan 8.380 nan 0.000 0.474 961 P HA -0.048 nan 4.420 nan 0.000 0.231 961 P C 0.303 177.557 177.300 -0.076 0.000 1.168 961 P CA 0.254 63.311 63.100 -0.071 0.000 0.779 961 P CB 0.302 31.981 31.700 -0.035 0.000 0.844 962 S N 2.365 118.001 115.700 -0.107 0.000 2.498 962 S HA 0.132 4.602 4.470 -0.000 0.000 0.281 962 S C -1.096 173.409 174.600 -0.159 0.000 1.265 962 S CA -1.231 56.889 58.200 -0.135 0.000 1.071 962 S CB 0.234 63.334 63.200 -0.167 0.000 0.894 962 S HN 0.044 nan 8.310 nan 0.000 0.491 963 P HA -0.010 nan 4.420 nan 0.000 0.230 963 P C 0.476 177.690 177.300 -0.143 0.000 1.158 963 P CA 0.720 63.764 63.100 -0.093 0.000 0.769 963 P CB 0.049 31.748 31.700 -0.002 0.000 0.807 964 L N -0.037 121.026 121.223 -0.268 0.000 2.851 964 L HA 0.185 4.525 4.340 -0.000 0.000 0.237 964 L C 0.290 177.072 176.870 -0.148 0.000 1.257 964 L CA -0.098 54.590 54.840 -0.252 0.000 1.061 964 L CB -0.622 41.152 42.059 -0.475 0.000 1.372 964 L HN -0.181 nan 8.230 nan 0.000 0.493 965 T N 1.535 116.031 114.554 -0.097 0.000 2.832 965 T HA 0.353 4.703 4.350 -0.000 0.000 0.296 965 T C 0.073 174.869 174.700 0.160 0.000 0.968 965 T CA -0.187 61.891 62.100 -0.037 0.000 1.107 965 T CB 1.682 70.425 68.868 -0.209 0.000 0.916 965 T HN 0.147 nan 8.240 nan 0.000 0.517 966 V N 1.272 121.275 119.914 0.148 0.000 2.709 966 V HA 0.717 4.837 4.120 -0.000 0.000 0.308 966 V C -0.253 175.907 176.094 0.110 0.000 1.062 966 V CA -1.082 61.311 62.300 0.155 0.000 0.901 966 V CB 1.574 33.435 31.823 0.063 0.000 1.003 966 V HN 0.572 nan 8.190 nan 0.000 0.425 967 V N 5.063 125.007 119.914 0.049 0.000 2.686 967 V HA 0.258 4.377 4.120 -0.000 0.000 0.295 967 V C 0.807 176.884 176.094 -0.029 0.000 1.055 967 V CA 0.100 62.385 62.300 -0.025 0.000 1.050 967 V CB 1.226 32.961 31.823 -0.146 0.000 0.984 967 V HN 0.879 nan 8.190 nan 0.000 0.482 968 L N 2.924 124.116 121.223 -0.050 0.000 2.445 968 L HA 0.589 4.929 4.340 -0.000 0.000 0.207 968 L C 1.141 178.004 176.870 -0.012 0.000 1.053 968 L CA 1.882 56.686 54.840 -0.061 0.000 0.841 968 L CB -0.219 41.731 42.059 -0.180 0.000 1.074 968 L HN 0.966 nan 8.230 nan 0.000 0.479 969 G N -1.171 107.618 108.800 -0.018 0.000 2.374 969 G HA2 0.054 4.014 3.960 -0.000 0.000 0.067 969 G HA3 0.054 4.014 3.960 -0.000 0.000 0.067 969 G C -0.970 173.940 174.900 0.017 0.000 1.023 969 G CA -0.612 44.502 45.100 0.024 0.000 1.131 969 G HN -0.067 nan 8.290 nan 0.000 0.436 970 K N 0.996 121.415 120.400 0.032 0.000 2.469 970 K HA 0.514 4.834 4.320 -0.000 0.000 0.254 970 K C -1.293 175.269 176.600 -0.063 0.000 0.939 970 K CA -0.557 55.745 56.287 0.025 0.000 0.812 970 K CB 2.447 35.005 32.500 0.097 0.000 1.301 970 K HN 0.760 nan 8.250 nan 0.000 0.433 971 D N 0.591 120.948 120.400 -0.073 0.000 2.411 971 D HA 0.065 4.704 4.640 -0.000 0.000 0.251 971 D C 1.409 177.636 176.300 -0.122 0.000 1.201 971 D CA -0.551 53.361 54.000 -0.146 0.000 0.996 971 D CB 0.428 41.183 40.800 -0.075 0.000 1.101 971 D HN 0.572 nan 8.370 nan 0.000 0.504 972 I N -3.115 117.374 120.570 -0.136 0.000 2.381 972 I HA -0.214 3.956 4.170 -0.000 0.000 0.255 972 I C 1.707 177.877 176.117 0.088 0.000 1.140 972 I CA 1.745 63.069 61.300 0.040 0.000 1.404 972 I CB -0.584 37.439 38.000 0.038 0.000 1.075 972 I HN 0.346 nan 8.210 nan 0.000 0.433 973 A N 0.718 123.562 122.820 0.040 0.000 2.251 973 A HA 0.465 4.785 4.320 -0.000 0.000 0.209 973 A C 1.910 179.523 177.584 0.049 0.000 1.187 973 A CA 0.595 52.656 52.037 0.040 0.000 0.823 973 A CB -0.649 18.363 19.000 0.020 0.000 0.846 973 A HN 0.890 nan 8.150 nan 0.000 0.486 974 G N -1.038 107.802 108.800 0.068 0.000 2.175 974 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.244 974 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.244 974 G C -0.071 174.858 174.900 0.049 0.000 0.982 974 G CA 0.181 45.324 45.100 0.072 0.000 0.641 974 G HN 0.503 nan 8.290 nan 0.000 0.527 975 E N 2.087 122.305 120.200 0.030 0.000 2.289 975 E HA 0.276 4.625 4.350 -0.000 0.000 0.278 975 E C -2.056 174.552 176.600 0.014 0.000 1.032 975 E CA -1.541 54.871 56.400 0.019 0.000 0.854 975 E CB 1.379 31.085 29.700 0.010 0.000 1.046 975 E HN 0.237 nan 8.360 nan 0.000 0.409 976 P HA -0.032 nan 4.420 nan 0.000 0.265 976 P C -0.496 176.804 177.300 -0.001 0.000 1.193 976 P CA 0.119 63.227 63.100 0.014 0.000 0.765 976 P CB 0.633 32.347 31.700 0.024 0.000 0.823 977 V N 4.906 124.808 119.914 -0.020 0.000 2.350 977 V HA 0.212 4.331 4.120 -0.000 0.000 0.285 977 V C 0.530 176.593 176.094 -0.052 0.000 1.014 977 V CA -0.584 61.685 62.300 -0.051 0.000 0.831 977 V CB 1.727 33.491 31.823 -0.097 0.000 1.000 977 V HN 0.301 nan 8.190 nan 0.000 0.433 978 V N 3.538 123.436 119.914 -0.026 0.000 2.732 978 V HA 0.980 5.099 4.120 -0.000 0.000 0.310 978 V C 0.335 176.400 176.094 -0.048 0.000 1.053 978 V CA -0.352 61.954 62.300 0.010 0.000 0.957 978 V CB 1.906 33.785 31.823 0.094 0.000 1.018 978 V HN 0.982 nan 8.190 nan 0.000 0.452 979 A N 1.515 124.309 122.820 -0.044 0.000 2.566 979 A HA 0.758 5.078 4.320 -0.000 0.000 0.292 979 A C -1.645 175.917 177.584 -0.036 0.000 1.112 979 A CA -0.478 51.517 52.037 -0.070 0.000 0.707 979 A CB 1.907 20.806 19.000 -0.167 0.000 1.302 979 A HN 0.702 nan 8.150 nan 0.000 0.409 980 D N 1.131 121.508 120.400 -0.038 0.000 2.440 980 D HA 0.283 4.923 4.640 -0.000 0.000 0.239 980 D C 0.804 177.053 176.300 -0.085 0.000 1.084 980 D CA -0.387 53.568 54.000 -0.075 0.000 0.843 980 D CB 1.213 41.963 40.800 -0.084 0.000 1.097 980 D HN 0.413 nan 8.370 nan 0.000 0.531 981 L N 3.300 124.450 121.223 -0.121 0.000 2.189 981 L HA -0.193 4.146 4.340 -0.000 0.000 0.214 981 L C 1.924 178.655 176.870 -0.231 0.000 1.097 981 L CA 1.496 56.257 54.840 -0.132 0.000 0.764 981 L CB 0.043 42.009 42.059 -0.154 0.000 0.900 981 L HN 0.515 nan 8.230 nan 0.000 0.436 982 A N -0.844 121.755 122.820 -0.369 0.000 2.067 982 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 982 A C 2.068 179.625 177.584 -0.045 0.000 1.158 982 A CA 1.084 52.914 52.037 -0.346 0.000 0.661 982 A CB -0.145 18.614 19.000 -0.401 0.000 0.801 982 A HN 0.307 nan 8.150 nan 0.000 0.452 983 K N -0.842 119.527 120.400 -0.051 0.000 2.361 983 K HA 0.231 4.551 4.320 -0.000 0.000 0.194 983 K C 1.661 178.264 176.600 0.004 0.000 1.032 983 K CA 0.269 56.552 56.287 -0.007 0.000 1.048 983 K CB -0.197 32.301 32.500 -0.004 0.000 0.842 983 K HN 0.533 nan 8.250 nan 0.000 0.526 984 M N 1.464 121.069 119.600 0.009 0.000 2.065 984 M HA -0.138 4.342 4.480 -0.000 0.000 0.259 984 M C -0.683 175.603 176.300 -0.024 0.000 1.069 984 M CA 2.155 57.468 55.300 0.022 0.000 1.110 984 M CB -1.083 31.553 32.600 0.059 0.000 1.328 984 M HN -0.088 nan 8.290 nan 0.000 0.405 985 P HA 0.100 nan 4.420 nan 0.000 0.267 985 P C -0.522 176.601 177.300 -0.295 0.000 1.289 985 P CA 0.852 63.848 63.100 -0.173 0.000 0.866 985 P CB 0.390 31.908 31.700 -0.303 0.000 1.309 986 H N 0.310 119.440 119.070 0.100 0.000 2.895 986 H HA 0.528 5.084 4.556 -0.000 0.000 0.373 986 H C -0.008 175.345 175.328 0.043 0.000 1.174 986 H CA -0.740 55.351 56.048 0.071 0.000 1.144 986 H CB 2.403 32.177 29.762 0.020 0.000 1.793 986 H HN -0.051 nan 8.280 nan 0.000 0.551 987 L N -0.241 121.078 121.223 0.159 0.000 2.327 987 L HA 0.686 5.026 4.340 -0.000 0.000 0.258 987 L C -1.482 175.413 176.870 0.041 0.000 1.024 987 L CA -1.050 53.845 54.840 0.092 0.000 0.825 987 L CB 2.996 45.122 42.059 0.112 0.000 1.386 987 L HN 0.408 nan 8.230 nan 0.000 0.417 988 L N 2.447 123.687 121.223 0.029 0.000 2.376 988 L HA 0.681 5.021 4.340 -0.000 0.000 0.275 988 L C -1.239 175.672 176.870 0.068 0.000 0.987 988 L CA -0.659 54.187 54.840 0.010 0.000 0.828 988 L CB 1.937 43.991 42.059 -0.007 0.000 1.249 988 L HN 0.556 nan 8.230 nan 0.000 0.409 989 V N 3.985 123.965 119.914 0.109 0.000 2.547 989 V HA 0.924 5.044 4.120 -0.000 0.000 0.299 989 V C 0.011 176.231 176.094 0.210 0.000 1.040 989 V CA -0.338 62.067 62.300 0.175 0.000 0.913 989 V CB 1.453 33.414 31.823 0.230 0.000 0.992 989 V HN 0.892 nan 8.190 nan 0.000 0.449 990 A N 2.656 125.618 122.820 0.237 0.000 2.610 990 A HA 1.037 5.356 4.320 -0.000 0.000 0.291 990 A C -0.308 177.434 177.584 0.264 0.000 1.086 990 A CA -0.040 52.130 52.037 0.222 0.000 0.677 990 A CB 1.966 21.066 19.000 0.167 0.000 1.278 990 A HN 1.895 nan 8.150 nan 0.000 0.414 991 G N -0.782 108.139 108.800 0.201 0.000 2.321 991 G HA2 0.570 4.530 3.960 -0.000 0.000 0.298 991 G HA3 0.570 4.530 3.960 -0.000 0.000 0.298 991 G C -0.481 174.488 174.900 0.114 0.000 1.385 991 G CA 0.166 45.380 45.100 0.191 0.000 0.856 991 G HN 1.088 nan 8.290 nan 0.000 0.584 992 T N 0.157 114.764 114.554 0.089 0.000 2.689 992 T HA 0.376 4.725 4.350 -0.000 0.000 0.308 992 T C 2.074 176.792 174.700 0.031 0.000 1.021 992 T CA 0.629 62.761 62.100 0.052 0.000 0.973 992 T CB 0.435 69.329 68.868 0.044 0.000 1.113 992 T HN 0.628 nan 8.240 nan 0.000 0.522 993 T N 1.013 115.578 114.554 0.017 0.000 2.665 993 T HA -0.052 4.298 4.350 -0.000 0.000 0.268 993 T C 1.659 176.352 174.700 -0.012 0.000 1.035 993 T CA 1.586 63.688 62.100 0.003 0.000 1.151 993 T CB -0.503 68.367 68.868 0.003 0.000 0.862 993 T HN 0.780 nan 8.240 nan 0.000 0.438 994 G N 0.576 109.371 108.800 -0.008 0.000 4.044 994 G HA2 0.320 4.280 3.960 -0.000 0.000 0.297 994 G HA3 0.320 4.280 3.960 -0.000 0.000 0.297 994 G C 1.140 176.025 174.900 -0.026 0.000 1.101 994 G CA 0.312 45.400 45.100 -0.020 0.000 0.884 994 G HN 0.508 nan 8.290 nan 0.000 0.538 995 S N -1.092 114.592 115.700 -0.028 0.000 2.496 995 S HA 0.363 4.832 4.470 -0.000 0.000 0.224 995 S C 1.702 176.224 174.600 -0.129 0.000 0.996 995 S CA 0.843 59.043 58.200 0.001 0.000 0.927 995 S CB 0.252 63.514 63.200 0.104 0.000 0.774 995 S HN 1.361 nan 8.310 nan 0.000 0.524 996 G N 0.226 108.831 108.800 -0.324 0.000 2.151 996 G HA2 0.014 3.974 3.960 -0.000 0.000 0.140 996 G HA3 0.014 3.974 3.960 -0.000 0.000 0.140 996 G C 0.758 174.943 174.900 -1.192 0.000 1.020 996 G CA 0.019 44.765 45.100 -0.590 0.000 0.688 996 G HN 0.848 nan 8.290 nan 0.000 0.500 997 A N 0.837 123.116 122.820 -0.903 0.000 1.898 997 A HA 0.223 4.543 4.320 -0.000 0.000 0.216 997 A C 2.729 180.159 177.584 -0.256 0.000 1.181 997 A CA 2.767 54.448 52.037 -0.594 0.000 0.620 997 A CB -0.695 18.261 19.000 -0.073 0.000 0.819 997 A HN 1.663 nan 8.150 nan 0.000 0.442 998 S N -0.430 115.160 115.700 -0.184 0.000 2.368 998 S HA -0.097 4.373 4.470 -0.000 0.000 0.224 998 S C 1.740 176.286 174.600 -0.089 0.000 1.029 998 S CA 1.367 59.516 58.200 -0.084 0.000 0.988 998 S CB -0.854 62.314 63.200 -0.053 0.000 0.838 998 S HN 0.230 nan 8.310 nan 0.000 0.462 999 V N 2.353 122.181 119.914 -0.143 0.000 2.427 999 V HA -0.006 4.114 4.120 -0.000 0.000 0.248 999 V C 2.912 178.957 176.094 -0.082 0.000 1.051 999 V CA 1.720 63.949 62.300 -0.117 0.000 1.048 999 V CB -1.651 30.110 31.823 -0.102 0.000 0.666 999 V HN 0.658 nan 8.190 nan 0.000 0.456 1000 G N -0.198 108.537 108.800 -0.107 0.000 2.421 1000 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.216 1000 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.216 1000 G C 1.674 176.627 174.900 0.088 0.000 1.171 1000 G CA 1.172 46.322 45.100 0.083 0.000 0.775 1000 G HN 0.375 nan 8.290 nan 0.000 0.543 1001 V N 1.393 121.341 119.914 0.057 0.000 2.407 1001 V HA -0.177 3.943 4.120 -0.000 0.000 0.248 1001 V C 2.653 178.750 176.094 0.005 0.000 1.055 1001 V CA 1.769 64.094 62.300 0.041 0.000 1.049 1001 V CB -0.414 31.428 31.823 0.032 0.000 0.662 1001 V HN 0.308 nan 8.190 nan 0.000 0.455 1002 N N 0.474 119.183 118.700 0.015 0.000 2.188 1002 N HA -0.094 4.646 4.740 -0.000 0.000 0.184 1002 N C 1.911 177.432 175.510 0.019 0.000 1.018 1002 N CA 1.570 54.649 53.050 0.048 0.000 0.858 1002 N CB -0.414 38.095 38.487 0.036 0.000 0.989 1002 N HN 0.482 nan 8.380 nan 0.000 0.426 1003 A N 0.985 123.803 122.820 -0.003 0.000 1.902 1003 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 1003 A C 2.303 179.885 177.584 -0.003 0.000 1.181 1003 A CA 1.273 53.301 52.037 -0.015 0.000 0.623 1003 A CB -0.438 18.559 19.000 -0.005 0.000 0.818 1003 A HN 0.212 nan 8.150 nan 0.000 0.443 1004 M N -0.850 118.757 119.600 0.011 0.000 2.132 1004 M HA -0.042 4.438 4.480 -0.000 0.000 0.263 1004 M C 2.088 178.387 176.300 -0.002 0.000 1.065 1004 M CA 1.430 56.741 55.300 0.019 0.000 1.122 1004 M CB -0.436 32.181 32.600 0.028 0.000 1.365 1004 M HN 0.384 nan 8.290 nan 0.000 0.411 1005 I N -0.055 120.463 120.570 -0.086 0.000 2.179 1005 I HA -0.288 3.882 4.170 -0.000 0.000 0.242 1005 I C 2.166 178.233 176.117 -0.084 0.000 1.088 1005 I CA 1.018 62.177 61.300 -0.234 0.000 1.357 1005 I CB -0.329 37.315 38.000 -0.594 0.000 1.051 1005 I HN 0.215 nan 8.210 nan 0.000 0.409 1006 L N 0.207 121.451 121.223 0.035 0.000 2.083 1006 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 1006 L C 2.676 179.694 176.870 0.247 0.000 1.083 1006 L CA 1.593 56.537 54.840 0.173 0.000 0.752 1006 L CB -0.839 41.325 42.059 0.176 0.000 0.899 1006 L HN 0.101 nan 8.230 nan 0.000 0.433 1007 S N -0.906 114.871 115.700 0.129 0.000 2.365 1007 S HA -0.260 4.210 4.470 -0.000 0.000 0.225 1007 S C 1.973 176.803 174.600 0.383 0.000 1.039 1007 S CA 1.803 60.103 58.200 0.167 0.000 1.033 1007 S CB -0.291 62.993 63.200 0.140 0.000 0.887 1007 S HN 0.379 nan 8.310 nan 0.000 0.447 1008 M N 0.541 120.292 119.600 0.251 0.000 2.175 1008 M HA -0.006 4.474 4.480 -0.000 0.000 0.264 1008 M C 1.677 178.092 176.300 0.192 0.000 1.063 1008 M CA 1.131 56.562 55.300 0.218 0.000 1.119 1008 M CB -0.432 32.283 32.600 0.192 0.000 1.377 1008 M HN 0.241 nan 8.290 nan 0.000 0.415 1009 L N -1.657 119.653 121.223 0.146 0.000 2.465 1009 L HA -0.154 4.186 4.340 -0.000 0.000 0.224 1009 L C 1.102 178.204 176.870 0.387 0.000 1.145 1009 L CA 0.723 55.631 54.840 0.113 0.000 0.834 1009 L CB -0.404 41.677 42.059 0.036 0.000 0.944 1009 L HN 0.276 nan 8.230 nan 0.000 0.451 1010 Y N -0.796 119.710 120.300 0.343 0.000 2.532 1010 Y HA 0.057 4.607 4.550 -0.000 0.000 0.283 1010 Y C 1.918 178.040 175.900 0.370 0.000 1.181 1010 Y CA 0.234 58.542 58.100 0.347 0.000 1.256 1010 Y CB 0.325 38.942 38.460 0.260 0.000 1.112 1010 Y HN 0.032 nan 8.280 nan 0.000 0.521 1011 K N -1.371 119.276 120.400 0.411 0.000 2.648 1011 K HA 0.393 4.713 4.320 -0.000 0.000 0.194 1011 K C -0.172 176.558 176.600 0.216 0.000 1.721 1011 K CA 0.327 56.777 56.287 0.271 0.000 1.183 1011 K CB 0.440 33.034 32.500 0.156 0.000 1.618 1011 K HN -0.034 nan 8.250 nan 0.000 0.595 1012 A N 1.816 124.779 122.820 0.239 0.000 2.337 1012 A HA 0.598 4.918 4.320 -0.000 0.000 0.329 1012 A C -0.784 176.996 177.584 0.327 0.000 1.146 1012 A CA -0.653 51.508 52.037 0.206 0.000 0.800 1012 A CB 1.288 20.351 19.000 0.105 0.000 1.220 1012 A HN 0.134 nan 8.150 nan 0.000 0.472 1013 Q N 1.122 121.075 119.800 0.254 0.000 2.221 1013 Q HA 0.284 4.624 4.340 -0.000 0.000 0.242 1013 Q C -1.826 174.188 176.000 0.023 0.000 0.940 1013 Q CA -2.087 53.856 55.803 0.233 0.000 0.896 1013 Q CB 0.584 29.428 28.738 0.176 0.000 1.226 1013 Q HN 0.383 nan 8.270 nan 0.000 0.463 1014 P HA -0.250 nan 4.420 nan 0.000 0.217 1014 P C 0.982 178.230 177.300 -0.086 0.000 1.151 1014 P CA 1.895 64.825 63.100 -0.284 0.000 0.849 1014 P CB 0.196 31.694 31.700 -0.337 0.000 0.787 1015 E N -0.811 119.368 120.200 -0.034 0.000 2.209 1015 E HA -0.212 4.138 4.350 -0.000 0.000 0.196 1015 E C 1.072 177.680 176.600 0.013 0.000 0.993 1015 E CA 1.264 57.661 56.400 -0.005 0.000 0.819 1015 E CB -0.686 29.020 29.700 0.011 0.000 0.745 1015 E HN 0.271 nan 8.360 nan 0.000 0.477 1016 D N 0.669 121.093 120.400 0.039 0.000 2.149 1016 D HA 0.043 4.683 4.640 -0.000 0.000 0.206 1016 D C 0.420 176.773 176.300 0.090 0.000 0.967 1016 D CA 0.775 54.826 54.000 0.084 0.000 0.848 1016 D CB 0.595 41.460 40.800 0.108 0.000 0.998 1016 D HN 0.037 nan 8.370 nan 0.000 0.474 1017 V N 1.384 121.298 119.914 0.001 0.000 2.709 1017 V HA 0.440 4.560 4.120 -0.000 0.000 0.308 1017 V C -0.311 175.602 176.094 -0.302 0.000 1.062 1017 V CA -0.902 61.309 62.300 -0.148 0.000 0.901 1017 V CB 2.946 34.593 31.823 -0.294 0.000 1.003 1017 V HN -0.047 nan 8.190 nan 0.000 0.425 1018 R N 2.443 122.727 120.500 -0.361 0.000 2.686 1018 R HA 0.686 5.026 4.340 -0.000 0.000 0.286 1018 R C -1.550 174.496 176.300 -0.423 0.000 0.969 1018 R CA -0.454 55.459 56.100 -0.312 0.000 0.898 1018 R CB 2.293 32.541 30.300 -0.086 0.000 1.183 1018 R HN 0.595 nan 8.270 nan 0.000 0.456 1019 F N 1.541 121.505 119.950 0.023 0.000 2.523 1019 F HA 0.602 5.129 4.527 -0.000 0.000 0.329 1019 F C 0.640 176.428 175.800 -0.021 0.000 1.061 1019 F CA -0.891 57.103 58.000 -0.010 0.000 0.967 1019 F CB 1.651 40.609 39.000 -0.071 0.000 1.218 1019 F HN 0.151 nan 8.300 nan 0.000 0.480 1020 I N 3.262 123.949 120.570 0.194 0.000 2.493 1020 I HA 0.297 4.467 4.170 -0.000 0.000 0.279 1020 I C -1.068 175.089 176.117 0.067 0.000 1.045 1020 I CA -0.294 61.048 61.300 0.071 0.000 1.106 1020 I CB 1.126 39.148 38.000 0.036 0.000 1.216 1020 I HN 0.467 nan 8.210 nan 0.000 0.459 1021 M N 6.537 126.155 119.600 0.030 0.000 2.113 1021 M HA 0.476 4.956 4.480 -0.000 0.000 0.352 1021 M C -0.662 175.641 176.300 0.004 0.000 1.170 1021 M CA -0.599 54.703 55.300 0.002 0.000 1.053 1021 M CB 1.556 34.136 32.600 -0.033 0.000 1.601 1021 M HN 0.272 nan 8.290 nan 0.000 0.459 1022 I N 2.871 123.451 120.570 0.017 0.000 2.312 1022 I HA 0.262 4.432 4.170 -0.000 0.000 0.290 1022 I C -0.446 175.689 176.117 0.030 0.000 1.008 1022 I CA -0.031 61.283 61.300 0.024 0.000 1.226 1022 I CB 0.920 38.945 38.000 0.042 0.000 1.371 1022 I HN 0.605 nan 8.210 nan 0.000 0.468 1023 D N 9.356 129.769 120.400 0.023 0.000 2.346 1023 D HA 0.314 4.954 4.640 -0.000 0.000 0.255 1023 D C -1.702 174.610 176.300 0.021 0.000 1.276 1023 D CA -1.608 52.408 54.000 0.026 0.000 0.941 1023 D CB 2.150 42.965 40.800 0.025 0.000 1.199 1023 D HN 0.185 nan 8.370 nan 0.000 0.537 1024 P HA -0.066 nan 4.420 nan 0.000 0.221 1024 P C 0.582 177.888 177.300 0.011 0.000 1.150 1024 P CA 0.583 63.693 63.100 0.016 0.000 0.800 1024 P CB 0.566 32.277 31.700 0.020 0.000 0.787 1025 K N 0.472 120.880 120.400 0.013 0.000 2.387 1025 K HA 0.211 4.531 4.320 -0.000 0.000 0.198 1025 K C 0.798 177.404 176.600 0.009 0.000 1.022 1025 K CA -0.291 56.002 56.287 0.009 0.000 1.128 1025 K CB -0.465 32.040 32.500 0.009 0.000 0.853 1025 K HN 0.172 nan 8.250 nan 0.000 0.523 1026 M N 0.653 120.259 119.600 0.011 0.000 3.996 1026 M HA -0.221 4.259 4.480 -0.000 0.000 0.157 1026 M C -0.115 176.190 176.300 0.007 0.000 1.526 1026 M CA 0.873 56.178 55.300 0.009 0.000 1.082 1026 M CB -0.812 31.791 32.600 0.005 0.000 1.343 1026 M HN 0.335 nan 8.290 nan 0.000 0.245 1027 L N -0.150 121.078 121.223 0.009 0.000 5.773 1027 L HA 0.343 4.683 4.340 -0.000 0.000 0.594 1027 L C 0.462 177.334 176.870 0.004 0.000 0.567 1027 L CA 0.836 55.679 54.840 0.005 0.000 2.513 1027 L CB -0.573 41.490 42.059 0.005 0.000 1.856 1027 L HN 0.671 nan 8.230 nan 0.000 0.551 1028 E N -0.055 120.153 120.200 0.013 0.000 2.475 1028 E HA 0.394 4.744 4.350 -0.000 0.000 0.205 1028 E C 1.442 178.074 176.600 0.054 0.000 0.822 1028 E CA 0.705 57.117 56.400 0.020 0.000 1.240 1028 E CB 0.195 29.911 29.700 0.027 0.000 1.222 1028 E HN 0.457 nan 8.360 nan 0.000 0.581 1029 L N 1.150 122.423 121.223 0.084 0.000 2.477 1029 L HA 0.122 4.462 4.340 -0.000 0.000 0.220 1029 L C 1.979 178.941 176.870 0.152 0.000 1.106 1029 L CA 0.842 55.791 54.840 0.182 0.000 0.851 1029 L CB -0.038 42.075 42.059 0.091 0.000 0.994 1029 L HN 0.148 nan 8.230 nan 0.000 0.462 1030 S N -0.798 114.930 115.700 0.046 0.000 2.469 1030 S HA -0.138 4.332 4.470 -0.000 0.000 0.238 1030 S C 1.786 176.356 174.600 -0.051 0.000 0.998 1030 S CA 0.785 58.992 58.200 0.011 0.000 0.957 1030 S CB -0.520 62.679 63.200 -0.002 0.000 0.764 1030 S HN 0.252 nan 8.310 nan 0.000 0.514 1031 V N 0.406 120.233 119.914 -0.146 0.000 3.141 1031 V HA 0.027 4.146 4.120 -0.000 0.000 0.265 1031 V C 0.989 176.800 176.094 -0.471 0.000 1.126 1031 V CA 1.052 63.136 62.300 -0.360 0.000 1.141 1031 V CB -0.807 30.726 31.823 -0.483 0.000 0.743 1031 V HN 0.689 nan 8.190 nan 0.000 0.492 1032 Y N -0.309 119.925 120.300 -0.110 0.000 2.457 1032 Y HA 0.367 4.917 4.550 -0.000 0.000 0.263 1032 Y C 1.081 176.956 175.900 -0.043 0.000 1.164 1032 Y CA -0.432 57.609 58.100 -0.099 0.000 1.274 1032 Y CB 0.119 38.490 38.460 -0.148 0.000 1.097 1032 Y HN 0.227 nan 8.280 nan 0.000 0.523 1033 E N 0.713 120.956 120.200 0.071 0.000 2.502 1033 E HA 0.199 4.549 4.350 -0.000 0.000 0.261 1033 E C 1.300 177.954 176.600 0.090 0.000 0.974 1033 E CA 1.269 57.719 56.400 0.082 0.000 0.936 1033 E CB 0.192 29.919 29.700 0.045 0.000 0.926 1033 E HN 0.531 nan 8.360 nan 0.000 0.459 1034 G N 3.664 112.544 108.800 0.134 0.000 2.258 1034 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.233 1034 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.233 1034 G C 0.323 175.291 174.900 0.113 0.000 1.006 1034 G CA -0.073 45.090 45.100 0.105 0.000 0.620 1034 G HN 0.578 nan 8.290 nan 0.000 0.511 1035 I N 3.983 124.643 120.570 0.151 0.000 2.741 1035 I HA 0.159 4.329 4.170 -0.000 0.000 0.288 1035 I C 0.249 176.454 176.117 0.147 0.000 1.192 1035 I CA -1.104 60.307 61.300 0.185 0.000 1.426 1035 I CB 0.927 39.045 38.000 0.196 0.000 1.367 1035 I HN 0.049 nan 8.210 nan 0.000 0.563 1036 P HA -0.225 nan 4.420 nan 0.000 0.220 1036 P C 1.057 178.273 177.300 -0.140 0.000 1.144 1036 P CA 1.709 64.771 63.100 -0.063 0.000 0.800 1036 P CB -0.156 31.498 31.700 -0.076 0.000 0.772 1037 H N -0.649 118.382 119.070 -0.065 0.000 2.524 1037 H HA 0.114 4.670 4.556 -0.000 0.000 0.282 1037 H C 1.113 176.493 175.328 0.087 0.000 1.016 1037 H CA 0.009 56.033 56.048 -0.041 0.000 1.270 1037 H CB -0.188 29.575 29.762 0.003 0.000 1.394 1037 H HN 0.200 nan 8.280 nan 0.000 0.568 1038 L N 2.094 123.479 121.223 0.270 0.000 2.534 1038 L HA -0.075 4.265 4.340 -0.000 0.000 0.271 1038 L C 1.568 178.572 176.870 0.224 0.000 1.178 1038 L CA -0.039 54.957 54.840 0.260 0.000 0.907 1038 L CB 0.884 43.115 42.059 0.287 0.000 1.164 1038 L HN 0.183 nan 8.230 nan 0.000 0.482 1039 L N 2.071 123.363 121.223 0.115 0.000 2.217 1039 L HA -0.014 4.326 4.340 -0.000 0.000 0.211 1039 L C 1.068 177.937 176.870 -0.002 0.000 1.107 1039 L CA 0.999 55.856 54.840 0.028 0.000 0.783 1039 L CB 0.071 42.060 42.059 -0.118 0.000 0.919 1039 L HN 0.727 nan 8.230 nan 0.000 0.442 1040 T N -1.673 112.804 114.554 -0.128 0.000 2.792 1040 T HA 0.230 4.580 4.350 -0.000 0.000 0.303 1040 T C -1.160 173.208 174.700 -0.553 0.000 1.310 1040 T CA -0.769 61.027 62.100 -0.507 0.000 1.007 1040 T CB 1.344 69.974 68.868 -0.397 0.000 1.335 1040 T HN 0.065 nan 8.240 nan 0.000 0.504 1041 E N 0.970 120.700 120.200 -0.784 0.000 2.418 1041 E HA 0.288 4.637 4.350 -0.000 0.000 0.261 1041 E C -0.125 176.368 176.600 -0.178 0.000 1.070 1041 E CA -0.561 55.605 56.400 -0.390 0.000 0.931 1041 E CB 0.483 29.982 29.700 -0.335 0.000 0.954 1041 E HN 0.380 nan 8.360 nan 0.000 0.439 1042 V N 2.828 122.701 119.914 -0.069 0.000 2.506 1042 V HA -0.083 4.037 4.120 -0.000 0.000 0.296 1042 V C 0.225 176.290 176.094 -0.048 0.000 1.004 1042 V CA 0.157 62.437 62.300 -0.034 0.000 1.150 1042 V CB -0.023 31.803 31.823 0.004 0.000 0.911 1042 V HN 0.375 nan 8.190 nan 0.000 0.476 1043 V N 5.735 125.621 119.914 -0.046 0.000 2.479 1043 V HA 0.081 4.200 4.120 -0.000 0.000 0.281 1043 V C 1.166 177.250 176.094 -0.018 0.000 1.031 1043 V CA 0.517 62.792 62.300 -0.041 0.000 1.038 1043 V CB 0.770 32.571 31.823 -0.037 0.000 0.981 1043 V HN 1.072 nan 8.190 nan 0.000 0.478 1044 T N 2.394 116.937 114.554 -0.019 0.000 3.038 1044 T HA 0.056 4.406 4.350 -0.000 0.000 0.244 1044 T C 0.568 175.265 174.700 -0.004 0.000 1.016 1044 T CA 0.084 62.179 62.100 -0.008 0.000 1.098 1044 T CB 0.077 68.939 68.868 -0.009 0.000 0.954 1044 T HN 0.790 nan 8.240 nan 0.000 0.469 1045 D N 0.367 120.762 120.400 -0.009 0.000 2.350 1045 D HA 0.200 4.840 4.640 -0.000 0.000 0.249 1045 D C 0.990 177.291 176.300 0.002 0.000 1.119 1045 D CA -0.078 53.920 54.000 -0.004 0.000 0.886 1045 D CB 0.918 41.713 40.800 -0.008 0.000 1.195 1045 D HN -0.160 nan 8.370 nan 0.000 0.437 1046 M N 2.458 122.061 119.600 0.007 0.000 2.419 1046 M HA 0.049 4.529 4.480 -0.000 0.000 0.264 1046 M C 1.472 177.781 176.300 0.016 0.000 1.082 1046 M CA 1.353 56.661 55.300 0.014 0.000 1.119 1046 M CB 0.053 32.661 32.600 0.014 0.000 1.398 1046 M HN 0.376 nan 8.290 nan 0.000 0.453 1047 K N -0.641 119.765 120.400 0.010 0.000 2.167 1047 K HA -0.069 4.251 4.320 -0.000 0.000 0.203 1047 K C 1.310 177.917 176.600 0.012 0.000 1.052 1047 K CA 1.019 57.313 56.287 0.012 0.000 0.956 1047 K CB -0.039 32.465 32.500 0.008 0.000 0.735 1047 K HN 0.198 nan 8.250 nan 0.000 0.451 1048 D N 0.943 121.345 120.400 0.004 0.000 2.144 1048 D HA -0.075 4.565 4.640 -0.000 0.000 0.200 1048 D C 1.815 178.117 176.300 0.004 0.000 0.978 1048 D CA 1.029 55.027 54.000 -0.003 0.000 0.833 1048 D CB -0.095 40.694 40.800 -0.019 0.000 0.961 1048 D HN 0.167 nan 8.370 nan 0.000 0.470 1049 A N 1.081 123.907 122.820 0.011 0.000 1.877 1049 A HA -0.083 4.236 4.320 -0.000 0.000 0.216 1049 A C 2.325 179.931 177.584 0.036 0.000 1.186 1049 A CA 2.325 54.376 52.037 0.023 0.000 0.620 1049 A CB -0.895 18.124 19.000 0.033 0.000 0.822 1049 A HN 0.225 nan 8.150 nan 0.000 0.443 1050 A N 0.078 122.920 122.820 0.036 0.000 1.908 1050 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 1050 A C 1.930 179.543 177.584 0.049 0.000 1.181 1050 A CA 1.893 53.954 52.037 0.041 0.000 0.627 1050 A CB -0.949 18.072 19.000 0.034 0.000 0.818 1050 A HN 0.740 nan 8.150 nan 0.000 0.445 1051 N N -0.283 118.445 118.700 0.046 0.000 2.188 1051 N HA -0.050 4.690 4.740 -0.000 0.000 0.184 1051 N C 1.962 177.534 175.510 0.103 0.000 1.018 1051 N CA 0.812 53.900 53.050 0.064 0.000 0.858 1051 N CB -0.215 38.299 38.487 0.046 0.000 0.989 1051 N HN 0.516 nan 8.380 nan 0.000 0.426 1052 A N 1.344 124.209 122.820 0.075 0.000 1.902 1052 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 1052 A C 2.122 179.815 177.584 0.181 0.000 1.181 1052 A CA 1.051 53.145 52.037 0.095 0.000 0.623 1052 A CB -0.670 18.347 19.000 0.027 0.000 0.818 1052 A HN 0.177 nan 8.150 nan 0.000 0.443 1053 L N -1.338 119.956 121.223 0.118 0.000 2.046 1053 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 1053 L C 2.843 179.774 176.870 0.101 0.000 1.077 1053 L CA 1.335 56.235 54.840 0.100 0.000 0.747 1053 L CB -0.522 41.569 42.059 0.055 0.000 0.896 1053 L HN 0.358 nan 8.230 nan 0.000 0.432 1054 R N -0.382 120.177 120.500 0.099 0.000 2.096 1054 R HA -0.238 4.102 4.340 -0.000 0.000 0.235 1054 R C 2.159 178.512 176.300 0.089 0.000 1.127 1054 R CA 1.944 58.087 56.100 0.072 0.000 0.968 1054 R CB -0.495 29.846 30.300 0.068 0.000 0.861 1054 R HN 0.439 nan 8.270 nan 0.000 0.440 1055 W N 0.606 121.900 121.300 -0.011 0.000 2.358 1055 W HA -0.243 4.417 4.660 -0.000 0.000 0.303 1055 W C 2.240 178.749 176.519 -0.017 0.000 1.208 1055 W CA 1.344 58.682 57.345 -0.012 0.000 1.274 1055 W CB -0.537 28.917 29.460 -0.010 0.000 1.138 1055 W HN 0.059 nan 8.180 nan 0.000 0.515 1056 C N -0.396 119.024 119.300 0.199 0.000 2.413 1056 C HA -0.219 4.241 4.460 -0.000 0.000 0.276 1056 C C 2.746 177.640 174.990 -0.160 0.000 1.248 1056 C CA 1.327 60.359 59.018 0.024 0.000 1.742 1056 C CB -1.420 26.403 27.740 0.139 0.000 2.017 1056 C HN 0.258 nan 8.230 nan 0.000 0.481 1057 V N 1.516 121.372 119.914 -0.097 0.000 2.407 1057 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 1057 V C 1.899 177.894 176.094 -0.165 0.000 1.055 1057 V CA 2.366 64.606 62.300 -0.100 0.000 1.049 1057 V CB -0.868 30.924 31.823 -0.053 0.000 0.662 1057 V HN 0.612 nan 8.190 nan 0.000 0.455 1058 N N -0.108 118.447 118.700 -0.242 0.000 2.270 1058 N HA -0.169 4.571 4.740 -0.000 0.000 0.181 1058 N C 1.874 177.151 175.510 -0.389 0.000 1.016 1058 N CA 0.915 53.799 53.050 -0.278 0.000 0.870 1058 N CB -0.127 38.194 38.487 -0.276 0.000 0.979 1058 N HN 0.452 nan 8.380 nan 0.000 0.431 1059 E N 1.489 121.315 120.200 -0.623 0.000 2.110 1059 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 1059 E C 1.864 178.221 176.600 -0.405 0.000 0.988 1059 E CA 1.011 57.008 56.400 -0.670 0.000 0.804 1059 E CB -0.149 28.905 29.700 -1.078 0.000 0.745 1059 E HN 0.372 nan 8.360 nan 0.000 0.458 1060 M N -0.002 119.409 119.600 -0.315 0.000 2.132 1060 M HA -0.144 4.336 4.480 -0.000 0.000 0.263 1060 M C 1.634 177.838 176.300 -0.160 0.000 1.065 1060 M CA 1.823 56.969 55.300 -0.257 0.000 1.122 1060 M CB -0.062 32.463 32.600 -0.126 0.000 1.365 1060 M HN 0.055 nan 8.290 nan 0.000 0.411 1061 E N -0.021 120.128 120.200 -0.085 0.000 2.106 1061 E HA -0.210 4.140 4.350 -0.000 0.000 0.192 1061 E C 2.141 178.692 176.600 -0.081 0.000 0.984 1061 E CA 1.050 57.443 56.400 -0.013 0.000 0.806 1061 E CB -0.269 29.395 29.700 -0.061 0.000 0.750 1061 E HN 0.577 nan 8.360 nan 0.000 0.458 1062 R N 1.436 121.836 120.500 -0.168 0.000 2.066 1062 R HA -0.094 4.246 4.340 -0.000 0.000 0.232 1062 R C 2.286 178.481 176.300 -0.174 0.000 1.131 1062 R CA 1.184 57.179 56.100 -0.175 0.000 0.955 1062 R CB 0.011 30.193 30.300 -0.196 0.000 0.851 1062 R HN 0.017 nan 8.270 nan 0.000 0.432 1063 R N -0.757 119.588 120.500 -0.257 0.000 2.091 1063 R HA -0.181 4.159 4.340 -0.000 0.000 0.238 1063 R C 2.202 178.342 176.300 -0.267 0.000 1.136 1063 R CA 1.959 57.848 56.100 -0.352 0.000 0.959 1063 R CB -0.436 29.574 30.300 -0.482 0.000 0.856 1063 R HN 0.412 nan 8.270 nan 0.000 0.437 1064 Y N 0.804 121.018 120.300 -0.143 0.000 2.352 1064 Y HA -0.161 4.389 4.550 -0.000 0.000 0.292 1064 Y C 2.336 178.199 175.900 -0.061 0.000 1.136 1064 Y CA 0.871 58.915 58.100 -0.092 0.000 1.227 1064 Y CB 0.129 38.537 38.460 -0.087 0.000 0.991 1064 Y HN 0.015 nan 8.280 nan 0.000 0.545 1065 K N 0.207 120.633 120.400 0.044 0.000 2.026 1065 K HA -0.173 4.146 4.320 -0.000 0.000 0.208 1065 K C 1.893 178.629 176.600 0.227 0.000 1.048 1065 K CA 1.330 57.593 56.287 -0.039 0.000 0.929 1065 K CB -0.375 31.878 32.500 -0.411 0.000 0.713 1065 K HN 0.337 nan 8.250 nan 0.000 0.439 1066 L N 0.532 121.882 121.223 0.211 0.000 2.046 1066 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 1066 L C 2.575 179.596 176.870 0.252 0.000 1.077 1066 L CA 1.229 56.247 54.840 0.297 0.000 0.747 1066 L CB -0.404 41.738 42.059 0.138 0.000 0.896 1066 L HN 0.240 nan 8.230 nan 0.000 0.432 1067 M N -0.982 118.713 119.600 0.160 0.000 2.279 1067 M HA -0.173 4.307 4.480 -0.000 0.000 0.264 1067 M C 2.364 178.772 176.300 0.180 0.000 1.062 1067 M CA 1.296 56.709 55.300 0.188 0.000 1.099 1067 M CB -0.211 32.482 32.600 0.154 0.000 1.394 1067 M HN 0.165 nan 8.290 nan 0.000 0.426 1068 S N 0.363 116.174 115.700 0.185 0.000 2.357 1068 S HA -0.004 4.466 4.470 -0.000 0.000 0.221 1068 S C 2.100 176.787 174.600 0.146 0.000 1.031 1068 S CA 1.129 59.419 58.200 0.151 0.000 0.982 1068 S CB -0.287 63.005 63.200 0.154 0.000 0.853 1068 S HN 0.565 nan 8.310 nan 0.000 0.458 1069 A N 1.195 124.130 122.820 0.192 0.000 1.986 1069 A HA -0.036 4.284 4.320 -0.000 0.000 0.220 1069 A C 1.761 179.382 177.584 0.061 0.000 1.171 1069 A CA 1.232 53.323 52.037 0.090 0.000 0.640 1069 A CB -0.561 18.442 19.000 0.005 0.000 0.811 1069 A HN 0.501 nan 8.150 nan 0.000 0.451 1070 L N -1.384 119.899 121.223 0.100 0.000 2.640 1070 L HA 0.267 4.607 4.340 -0.000 0.000 0.230 1070 L C 1.267 178.175 176.870 0.063 0.000 1.123 1070 L CA 0.215 55.094 54.840 0.066 0.000 0.900 1070 L CB -0.377 41.726 42.059 0.073 0.000 1.146 1070 L HN 0.501 nan 8.230 nan 0.000 0.484 1071 G N 2.283 111.129 108.800 0.077 0.000 2.370 1071 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.293 1071 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.293 1071 G C -0.090 174.850 174.900 0.067 0.000 0.992 1071 G CA 0.558 45.697 45.100 0.065 0.000 1.247 1071 G HN 0.320 nan 8.290 nan 0.000 0.505 1072 V N -2.561 117.408 119.914 0.092 0.000 3.102 1072 V HA 0.927 5.047 4.120 -0.000 0.000 0.312 1072 V C 0.835 176.992 176.094 0.104 0.000 1.135 1072 V CA -0.490 61.865 62.300 0.092 0.000 1.022 1072 V CB 1.862 33.751 31.823 0.109 0.000 1.056 1072 V HN 0.570 nan 8.190 nan 0.000 0.436 1073 R N 0.521 121.078 120.500 0.095 0.000 2.373 1073 R HA 0.481 4.821 4.340 -0.000 0.000 0.221 1073 R C -0.179 176.193 176.300 0.121 0.000 0.893 1073 R CA -0.278 55.885 56.100 0.105 0.000 1.049 1073 R CB -0.051 30.295 30.300 0.077 0.000 1.119 1073 R HN 0.739 nan 8.270 nan 0.000 0.535 1074 N N -0.120 118.643 118.700 0.106 0.000 2.761 1074 N HA 0.205 4.945 4.740 -0.000 0.000 0.283 1074 N C -0.075 175.475 175.510 0.067 0.000 1.377 1074 N CA -0.875 52.231 53.050 0.093 0.000 0.791 1074 N CB 0.905 39.453 38.487 0.103 0.000 1.540 1074 N HN -0.166 nan 8.380 nan 0.000 0.539 1075 L N 0.193 121.428 121.223 0.019 0.000 2.179 1075 L HA 0.141 4.481 4.340 -0.000 0.000 0.208 1075 L C 1.639 178.524 176.870 0.026 0.000 1.096 1075 L CA 1.164 55.970 54.840 -0.057 0.000 0.779 1075 L CB -0.469 41.446 42.059 -0.239 0.000 0.922 1075 L HN 0.727 nan 8.230 nan 0.000 0.443 1076 A N -0.186 122.668 122.820 0.057 0.000 1.969 1076 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 1076 A C 2.234 179.860 177.584 0.071 0.000 1.169 1076 A CA 1.441 53.525 52.037 0.078 0.000 0.635 1076 A CB -0.954 18.121 19.000 0.125 0.000 0.810 1076 A HN 0.484 nan 8.150 nan 0.000 0.445 1077 G N -1.824 107.027 108.800 0.084 0.000 2.403 1077 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.216 1077 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.216 1077 G C 1.503 176.445 174.900 0.069 0.000 1.154 1077 G CA 1.111 46.252 45.100 0.067 0.000 0.784 1077 G HN 0.592 nan 8.290 nan 0.000 0.538 1078 Y N 1.700 121.989 120.300 -0.017 0.000 2.145 1078 Y HA -0.139 4.410 4.550 -0.000 0.000 0.286 1078 Y C 2.543 178.422 175.900 -0.035 0.000 1.145 1078 Y CA 2.239 60.323 58.100 -0.026 0.000 1.148 1078 Y CB -0.493 37.940 38.460 -0.045 0.000 0.981 1078 Y HN 0.273 nan 8.280 nan 0.000 0.507 1079 N N -0.114 118.598 118.700 0.021 0.000 2.166 1079 N HA -0.191 4.549 4.740 -0.000 0.000 0.186 1079 N C 1.629 177.066 175.510 -0.122 0.000 1.019 1079 N CA 1.407 54.411 53.050 -0.076 0.000 0.856 1079 N CB -0.138 38.358 38.487 0.014 0.000 0.993 1079 N HN 0.544 nan 8.380 nan 0.000 0.426 1080 E N 0.827 120.985 120.200 -0.071 0.000 2.077 1080 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 1080 E C 1.773 178.313 176.600 -0.100 0.000 0.989 1080 E CA 0.900 57.263 56.400 -0.062 0.000 0.800 1080 E CB 0.036 29.721 29.700 -0.026 0.000 0.746 1080 E HN 0.132 nan 8.360 nan 0.000 0.452 1081 K N 0.824 121.143 120.400 -0.136 0.000 2.074 1081 K HA -0.160 4.160 4.320 -0.000 0.000 0.209 1081 K C 1.874 178.360 176.600 -0.189 0.000 1.048 1081 K CA 1.103 57.297 56.287 -0.155 0.000 0.926 1081 K CB -0.139 32.247 32.500 -0.189 0.000 0.713 1081 K HN 0.087 nan 8.250 nan 0.000 0.444 1082 I N 0.072 120.480 120.570 -0.271 0.000 2.286 1082 I HA -0.153 4.017 4.170 -0.000 0.000 0.245 1082 I C 2.200 178.236 176.117 -0.134 0.000 1.104 1082 I CA 1.375 62.536 61.300 -0.232 0.000 1.397 1082 I CB -1.502 36.325 38.000 -0.288 0.000 1.072 1082 I HN 0.117 nan 8.210 nan 0.000 0.417 1083 A N 0.701 123.456 122.820 -0.108 0.000 1.902 1083 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 1083 A C 2.381 179.928 177.584 -0.061 0.000 1.181 1083 A CA 1.929 53.925 52.037 -0.067 0.000 0.623 1083 A CB -0.744 18.227 19.000 -0.048 0.000 0.818 1083 A HN 0.511 nan 8.150 nan 0.000 0.443 1084 E N -0.132 120.029 120.200 -0.066 0.000 2.038 1084 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 1084 E C 2.178 178.744 176.600 -0.057 0.000 1.000 1084 E CA 1.310 57.677 56.400 -0.055 0.000 0.803 1084 E CB -0.313 29.353 29.700 -0.057 0.000 0.750 1084 E HN 0.523 nan 8.360 nan 0.000 0.448 1085 A N 1.137 123.913 122.820 -0.073 0.000 1.908 1085 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 1085 A C 1.824 179.371 177.584 -0.061 0.000 1.181 1085 A CA 2.036 54.031 52.037 -0.070 0.000 0.627 1085 A CB -0.640 18.307 19.000 -0.089 0.000 0.818 1085 A HN 0.325 nan 8.150 nan 0.000 0.445 1086 D N -0.517 119.846 120.400 -0.061 0.000 2.097 1086 D HA -0.130 4.510 4.640 -0.000 0.000 0.195 1086 D C 2.185 178.461 176.300 -0.040 0.000 0.989 1086 D CA 1.192 55.162 54.000 -0.050 0.000 0.827 1086 D CB -0.374 40.397 40.800 -0.047 0.000 0.966 1086 D HN 0.436 nan 8.370 nan 0.000 0.456 1087 R N -0.270 120.208 120.500 -0.037 0.000 2.105 1087 R HA -0.024 4.316 4.340 -0.000 0.000 0.239 1087 R C 1.632 177.915 176.300 -0.029 0.000 1.135 1087 R CA 0.851 56.933 56.100 -0.030 0.000 0.967 1087 R CB -0.065 30.219 30.300 -0.027 0.000 0.861 1087 R HN 0.211 nan 8.270 nan 0.000 0.442 1088 M N -0.224 119.356 119.600 -0.033 0.000 2.495 1088 M HA 0.156 4.636 4.480 -0.000 0.000 0.237 1088 M C 0.374 176.654 176.300 -0.033 0.000 1.131 1088 M CA 0.242 55.523 55.300 -0.031 0.000 1.032 1088 M CB -0.105 32.475 32.600 -0.032 0.000 1.513 1088 M HN 0.172 nan 8.290 nan 0.000 0.488 1089 M N 0.952 120.530 119.600 -0.035 0.000 2.206 1089 M HA -0.238 4.241 4.480 -0.000 0.000 0.197 1089 M C 0.011 176.286 176.300 -0.042 0.000 0.375 1089 M CA 0.711 55.989 55.300 -0.037 0.000 0.410 1089 M CB -1.457 31.124 32.600 -0.031 0.000 1.204 1089 M HN 0.276 nan 8.290 nan 0.000 0.932 1090 R N 1.753 122.225 120.500 -0.047 0.000 2.477 1090 R HA 0.384 4.724 4.340 -0.000 0.000 0.285 1090 R C -2.298 173.963 176.300 -0.064 0.000 1.415 1090 R CA -1.306 54.763 56.100 -0.052 0.000 1.446 1090 R CB 0.848 31.120 30.300 -0.047 0.000 1.110 1090 R HN 0.064 nan 8.270 nan 0.000 0.590 1091 P HA 0.005 nan 4.420 nan 0.000 0.267 1091 P C -0.461 176.784 177.300 -0.093 0.000 1.200 1091 P CA 0.185 63.234 63.100 -0.085 0.000 0.772 1091 P CB 1.043 32.687 31.700 -0.093 0.000 0.855 1092 I N 4.877 125.389 120.570 -0.097 0.000 2.297 1092 I HA 0.224 4.394 4.170 -0.000 0.000 0.291 1092 I C -1.799 174.255 176.117 -0.104 0.000 1.033 1092 I CA -2.577 58.667 61.300 -0.093 0.000 1.253 1092 I CB 1.501 39.447 38.000 -0.090 0.000 1.396 1092 I HN 0.173 nan 8.210 nan 0.000 0.476 1093 P HA 0.027 nan 4.420 nan 0.000 0.275 1093 P C -0.679 176.580 177.300 -0.069 0.000 1.228 1093 P CA -0.341 62.660 63.100 -0.165 0.000 0.786 1093 P CB 0.871 32.448 31.700 -0.206 0.000 0.927 1094 D N 4.152 124.533 120.400 -0.032 0.000 2.402 1094 D HA -0.032 4.608 4.640 -0.000 0.000 0.268 1094 D C -0.960 175.402 176.300 0.104 0.000 1.294 1094 D CA -1.586 52.467 54.000 0.088 0.000 0.945 1094 D CB 0.226 41.133 40.800 0.179 0.000 1.112 1094 D HN 0.222 nan 8.370 nan 0.000 0.517 1095 P HA -0.154 nan 4.420 nan 0.000 0.225 1095 P C 0.528 177.667 177.300 -0.269 0.000 1.148 1095 P CA 1.042 64.007 63.100 -0.225 0.000 0.779 1095 P CB -0.045 31.392 31.700 -0.438 0.000 0.780 1096 Y N -3.341 117.059 120.300 0.166 0.000 2.457 1096 Y HA 0.191 4.741 4.550 -0.000 0.000 0.263 1096 Y C 1.662 177.668 175.900 0.176 0.000 1.164 1096 Y CA -1.111 57.070 58.100 0.135 0.000 1.274 1096 Y CB -0.262 38.256 38.460 0.098 0.000 1.097 1096 Y HN -0.054 nan 8.280 nan 0.000 0.523 1108 P HA -0.100 nan 4.420 nan 0.000 0.258 1108 P C -0.619 176.474 177.300 -0.345 0.000 1.102 1108 P CA 0.499 63.410 63.100 -0.316 0.000 0.757 1108 P CB 0.175 31.749 31.700 -0.210 0.000 0.681 1109 V N 4.074 123.863 119.914 -0.208 0.000 2.715 1109 V HA 0.343 4.463 4.120 -0.000 0.000 0.310 1109 V C 0.825 176.878 176.094 -0.068 0.000 1.054 1109 V CA -1.099 61.106 62.300 -0.159 0.000 0.928 1109 V CB 1.992 33.725 31.823 -0.149 0.000 1.007 1109 V HN 0.388 nan 8.190 nan 0.000 0.437 1110 L N 3.207 124.406 121.223 -0.040 0.000 2.397 1110 L HA 0.464 4.804 4.340 -0.000 0.000 0.271 1110 L C 0.243 177.113 176.870 0.001 0.000 1.148 1110 L CA -0.023 54.831 54.840 0.023 0.000 0.825 1110 L CB 0.530 42.615 42.059 0.044 0.000 1.117 1110 L HN 0.605 nan 8.230 nan 0.000 0.456 1111 K N 1.932 122.365 120.400 0.056 0.000 2.350 1111 K HA 0.424 4.744 4.320 -0.000 0.000 0.241 1111 K C -0.738 175.916 176.600 0.091 0.000 0.994 1111 K CA -1.069 55.239 56.287 0.034 0.000 0.839 1111 K CB 2.064 34.582 32.500 0.030 0.000 1.244 1111 K HN 0.410 nan 8.250 nan 0.000 0.443 1112 K N 1.662 122.090 120.400 0.046 0.000 2.448 1112 K HA -0.019 4.300 4.320 -0.000 0.000 0.278 1112 K C -0.357 176.311 176.600 0.113 0.000 1.009 1112 K CA 0.460 56.793 56.287 0.077 0.000 0.995 1112 K CB 0.502 33.012 32.500 0.018 0.000 0.917 1112 K HN 0.337 nan 8.250 nan 0.000 0.481 1113 E N 3.853 124.145 120.200 0.154 0.000 2.166 1113 E HA 0.256 4.606 4.350 -0.000 0.000 0.275 1113 E C -2.377 174.174 176.600 -0.081 0.000 0.941 1113 E CA -2.078 54.332 56.400 0.018 0.000 0.784 1113 E CB 1.194 30.836 29.700 -0.097 0.000 1.115 1113 E HN 0.257 nan 8.360 nan 0.000 0.399 1114 P HA 0.166 nan 4.420 nan 0.000 0.282 1114 P C -0.885 176.334 177.300 -0.135 0.000 1.259 1114 P CA -0.481 62.563 63.100 -0.093 0.000 0.826 1114 P CB 0.705 32.388 31.700 -0.029 0.000 1.064 1115 Y N 0.297 120.585 120.300 -0.019 0.000 2.411 1115 Y HA 0.197 4.747 4.550 -0.000 0.000 0.333 1115 Y C 1.053 176.941 175.900 -0.020 0.000 1.186 1115 Y CA 0.351 58.454 58.100 0.005 0.000 1.381 1115 Y CB 0.273 38.721 38.460 -0.021 0.000 1.273 1115 Y HN 0.094 nan 8.280 nan 0.000 0.546 1116 I N 3.780 124.469 120.570 0.198 0.000 2.354 1116 I HA 0.232 4.402 4.170 -0.000 0.000 0.286 1116 I C -1.076 175.148 176.117 0.178 0.000 1.007 1116 I CA -0.693 60.686 61.300 0.133 0.000 1.167 1116 I CB 1.108 39.213 38.000 0.175 0.000 1.320 1116 I HN 0.215 nan 8.210 nan 0.000 0.458 1117 V N 7.650 127.620 119.914 0.093 0.000 2.333 1117 V HA 0.215 4.335 4.120 -0.000 0.000 0.274 1117 V C 0.159 176.387 176.094 0.223 0.000 1.028 1117 V CA -0.607 61.804 62.300 0.184 0.000 0.851 1117 V CB 1.594 33.532 31.823 0.191 0.000 1.000 1117 V HN 0.381 nan 8.190 nan 0.000 0.456 1118 V N 7.433 127.459 119.914 0.186 0.000 2.353 1118 V HA 0.329 4.448 4.120 -0.000 0.000 0.264 1118 V C 0.072 176.230 176.094 0.107 0.000 1.049 1118 V CA -0.229 62.154 62.300 0.138 0.000 0.896 1118 V CB 0.933 32.818 31.823 0.103 0.000 1.025 1118 V HN 0.607 nan 8.190 nan 0.000 0.475 1119 L N 5.539 126.817 121.223 0.092 0.000 2.275 1119 L HA 0.544 4.884 4.340 -0.000 0.000 0.288 1119 L C -0.429 176.461 176.870 0.034 0.000 1.046 1119 L CA -0.261 54.605 54.840 0.043 0.000 0.805 1119 L CB 1.774 43.821 42.059 -0.019 0.000 1.193 1119 L HN 0.387 nan 8.230 nan 0.000 0.426 1120 V N 2.707 122.645 119.914 0.040 0.000 2.380 1120 V HA 0.207 4.327 4.120 -0.000 0.000 0.286 1120 V C -0.611 175.539 176.094 0.093 0.000 1.015 1120 V CA -0.697 61.642 62.300 0.066 0.000 0.834 1120 V CB 1.591 33.460 31.823 0.077 0.000 1.009 1120 V HN 0.583 nan 8.190 nan 0.000 0.428 1121 D N 4.669 125.117 120.400 0.081 0.000 2.316 1121 D HA 0.303 4.943 4.640 -0.000 0.000 0.245 1121 D C 0.292 176.655 176.300 0.106 0.000 1.171 1121 D CA 0.143 54.194 54.000 0.085 0.000 0.856 1121 D CB 0.801 41.635 40.800 0.056 0.000 1.090 1121 D HN 0.669 nan 8.370 nan 0.000 0.476 1122 E N 3.106 123.392 120.200 0.142 0.000 2.484 1122 E HA -0.254 4.096 4.350 -0.000 0.000 0.181 1122 E C -0.280 176.400 176.600 0.134 0.000 1.458 1122 E CA 0.424 56.894 56.400 0.116 0.000 0.667 1122 E CB -2.018 27.711 29.700 0.048 0.000 1.125 1122 E HN 0.536 nan 8.360 nan 0.000 0.384 1123 F N 0.526 120.490 119.950 0.023 0.000 2.780 1123 F HA 0.412 4.939 4.527 -0.000 0.000 0.299 1123 F C 1.840 177.650 175.800 0.016 0.000 1.146 1123 F CA 0.341 58.352 58.000 0.019 0.000 1.428 1123 F CB -0.247 38.765 39.000 0.021 0.000 1.115 1123 F HN 0.271 nan 8.300 nan 0.000 0.583 1124 A N 1.210 123.657 122.820 -0.621 0.000 1.908 1124 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 1124 A C 1.998 179.434 177.584 -0.246 0.000 1.181 1124 A CA 2.111 53.819 52.037 -0.547 0.000 0.627 1124 A CB -0.981 17.812 19.000 -0.346 0.000 0.818 1124 A HN 0.433 nan 8.150 nan 0.000 0.445 1125 D N -0.227 120.095 120.400 -0.130 0.000 2.123 1125 D HA -0.139 4.501 4.640 -0.000 0.000 0.196 1125 D C 1.882 178.161 176.300 -0.035 0.000 0.992 1125 D CA 0.922 54.886 54.000 -0.060 0.000 0.833 1125 D CB -0.371 40.416 40.800 -0.022 0.000 0.954 1125 D HN 0.427 nan 8.370 nan 0.000 0.455 1126 L N 0.227 121.446 121.223 -0.007 0.000 2.131 1126 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 1126 L C 2.307 179.193 176.870 0.026 0.000 1.092 1126 L CA 0.782 55.646 54.840 0.041 0.000 0.759 1126 L CB -0.049 42.085 42.059 0.125 0.000 0.903 1126 L HN 0.053 nan 8.230 nan 0.000 0.435 1127 M N -1.621 117.965 119.600 -0.024 0.000 2.081 1127 M HA -0.211 4.269 4.480 -0.000 0.000 0.261 1127 M C 2.271 178.556 176.300 -0.024 0.000 1.075 1127 M CA 1.752 57.038 55.300 -0.022 0.000 1.133 1127 M CB -0.744 31.801 32.600 -0.092 0.000 1.330 1127 M HN 0.239 nan 8.290 nan 0.000 0.414 1128 M N -0.018 119.554 119.600 -0.047 0.000 2.132 1128 M HA -0.099 4.381 4.480 -0.000 0.000 0.263 1128 M C 2.334 178.624 176.300 -0.018 0.000 1.065 1128 M CA 1.665 56.946 55.300 -0.033 0.000 1.122 1128 M CB -1.126 31.449 32.600 -0.042 0.000 1.365 1128 M HN 0.339 nan 8.290 nan 0.000 0.411 1129 T N -0.507 114.038 114.554 -0.016 0.000 2.685 1129 T HA -0.133 4.216 4.350 -0.000 0.000 0.268 1129 T C 1.501 176.201 174.700 -0.000 0.000 1.034 1129 T CA 1.930 64.025 62.100 -0.007 0.000 1.149 1129 T CB -0.029 68.837 68.868 -0.003 0.000 0.860 1129 T HN 0.168 nan 8.240 nan 0.000 0.449 1130 V N -1.118 118.799 119.914 0.005 0.000 3.050 1130 V HA 0.646 4.766 4.120 -0.000 0.000 0.223 1130 V C 1.455 177.555 176.094 0.008 0.000 1.162 1130 V CA 0.674 62.979 62.300 0.009 0.000 1.247 1130 V CB 0.032 31.865 31.823 0.016 0.000 1.125 1130 V HN 0.775 nan 8.190 nan 0.000 0.508 1131 G N -0.572 108.235 108.800 0.013 0.000 2.302 1131 G HA2 0.009 3.969 3.960 -0.000 0.000 0.264 1131 G HA3 0.009 3.969 3.960 -0.000 0.000 0.264 1131 G C -0.052 174.860 174.900 0.020 0.000 1.335 1131 G CA 0.030 45.137 45.100 0.012 0.000 0.982 1131 G HN -0.092 nan 8.290 nan 0.000 0.473 1132 K N 0.260 120.670 120.400 0.017 0.000 2.444 1132 K HA -0.140 4.180 4.320 -0.000 0.000 0.200 1132 K C 2.250 178.863 176.600 0.021 0.000 1.045 1132 K CA 1.705 58.004 56.287 0.019 0.000 0.934 1132 K CB -0.193 32.315 32.500 0.014 0.000 0.756 1132 K HN 0.509 nan 8.250 nan 0.000 0.477 1133 K N 0.481 120.893 120.400 0.021 0.000 2.097 1133 K HA -0.082 4.237 4.320 -0.000 0.000 0.205 1133 K C 1.860 178.476 176.600 0.027 0.000 1.050 1133 K CA 0.823 57.123 56.287 0.021 0.000 0.938 1133 K CB 0.232 32.744 32.500 0.019 0.000 0.718 1133 K HN -0.116 nan 8.250 nan 0.000 0.442 1134 V N 1.499 121.436 119.914 0.038 0.000 2.283 1134 V HA -0.189 3.931 4.120 -0.000 0.000 0.243 1134 V C 1.981 178.106 176.094 0.051 0.000 1.039 1134 V CA 1.783 64.114 62.300 0.052 0.000 1.016 1134 V CB -0.467 31.403 31.823 0.078 0.000 0.650 1134 V HN 0.356 nan 8.190 nan 0.000 0.449 1135 E N 0.030 120.265 120.200 0.058 0.000 2.085 1135 E HA -0.310 4.040 4.350 -0.000 0.000 0.194 1135 E C 2.241 178.855 176.600 0.024 0.000 0.994 1135 E CA 1.672 58.103 56.400 0.052 0.000 0.801 1135 E CB -0.139 29.594 29.700 0.055 0.000 0.743 1135 E HN 0.691 nan 8.360 nan 0.000 0.453 1136 E N 0.733 120.945 120.200 0.020 0.000 2.049 1136 E HA -0.229 4.121 4.350 -0.000 0.000 0.198 1136 E C 2.126 178.727 176.600 0.001 0.000 1.007 1136 E CA 1.130 57.535 56.400 0.009 0.000 0.809 1136 E CB -0.046 29.659 29.700 0.009 0.000 0.749 1136 E HN 0.186 nan 8.360 nan 0.000 0.450 1137 L N 0.414 121.640 121.223 0.005 0.000 2.017 1137 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 1137 L C 2.562 179.419 176.870 -0.022 0.000 1.073 1137 L CA 1.033 55.871 54.840 -0.003 0.000 0.745 1137 L CB -0.382 41.682 42.059 0.009 0.000 0.894 1137 L HN 0.288 nan 8.230 nan 0.000 0.432 1138 I N -0.150 120.406 120.570 -0.024 0.000 2.151 1138 I HA -0.347 3.823 4.170 -0.000 0.000 0.243 1138 I C 2.821 178.890 176.117 -0.081 0.000 1.080 1138 I CA 1.306 62.567 61.300 -0.065 0.000 1.339 1138 I CB -0.558 37.403 38.000 -0.064 0.000 1.039 1138 I HN 0.247 nan 8.210 nan 0.000 0.409 1139 A N 0.900 123.693 122.820 -0.045 0.000 1.865 1139 A HA -0.282 4.038 4.320 -0.000 0.000 0.217 1139 A C 2.435 179.997 177.584 -0.037 0.000 1.191 1139 A CA 2.141 54.156 52.037 -0.037 0.000 0.623 1139 A CB -0.751 18.240 19.000 -0.015 0.000 0.826 1139 A HN 0.382 nan 8.150 nan 0.000 0.444 1140 R N -0.485 119.997 120.500 -0.030 0.000 2.083 1140 R HA -0.103 4.237 4.340 -0.000 0.000 0.237 1140 R C 2.098 178.380 176.300 -0.030 0.000 1.137 1140 R CA 1.677 57.762 56.100 -0.024 0.000 0.951 1140 R CB -0.452 29.837 30.300 -0.020 0.000 0.851 1140 R HN 0.524 nan 8.270 nan 0.000 0.434 1141 L N 0.196 121.387 121.223 -0.055 0.000 1.955 1141 L HA -0.195 4.145 4.340 -0.000 0.000 0.213 1141 L C 2.687 179.495 176.870 -0.104 0.000 1.072 1141 L CA 1.553 56.347 54.840 -0.076 0.000 0.755 1141 L CB -0.749 41.243 42.059 -0.113 0.000 0.888 1141 L HN 0.425 nan 8.230 nan 0.000 0.432 1142 A N -0.719 121.965 122.820 -0.227 0.000 1.940 1142 A HA -0.351 3.969 4.320 -0.000 0.000 0.221 1142 A C 2.118 179.748 177.584 0.076 0.000 1.190 1142 A CA 2.271 54.144 52.037 -0.274 0.000 0.647 1142 A CB -0.705 18.163 19.000 -0.219 0.000 0.821 1142 A HN 0.587 nan 8.150 nan 0.000 0.457 1143 Q N -1.095 118.724 119.800 0.031 0.000 2.030 1143 Q HA -0.148 4.192 4.340 -0.000 0.000 0.204 1143 Q C 1.457 177.502 176.000 0.074 0.000 0.986 1143 Q CA 1.907 57.740 55.803 0.050 0.000 0.843 1143 Q CB -0.111 28.636 28.738 0.015 0.000 0.904 1143 Q HN 0.689 nan 8.270 nan 0.000 0.420 1144 K N -1.235 119.214 120.400 0.081 0.000 2.402 1144 K HA 0.283 4.603 4.320 -0.000 0.000 0.204 1144 K C 1.258 177.992 176.600 0.223 0.000 1.056 1144 K CA 0.282 56.647 56.287 0.129 0.000 1.069 1144 K CB 0.932 33.481 32.500 0.081 0.000 0.888 1144 K HN 0.044 nan 8.250 nan 0.000 0.546 1145 A N 1.779 124.687 122.820 0.146 0.000 2.014 1145 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 1145 A C 2.084 179.646 177.584 -0.037 0.000 1.163 1145 A CA 0.974 53.049 52.037 0.062 0.000 0.652 1145 A CB -0.327 18.701 19.000 0.048 0.000 0.808 1145 A HN 0.253 nan 8.150 nan 0.000 0.449 1146 R N 0.097 120.582 120.500 -0.026 0.000 2.132 1146 R HA -0.218 4.122 4.340 -0.000 0.000 0.233 1146 R C 2.213 178.498 176.300 -0.025 0.000 1.125 1146 R CA 2.087 58.101 56.100 -0.144 0.000 0.914 1146 R CB -0.634 29.624 30.300 -0.069 0.000 0.845 1146 R HN 0.381 nan 8.270 nan 0.000 0.431 1147 A N 0.237 123.105 122.820 0.080 0.000 2.084 1147 A HA -0.120 4.199 4.320 -0.000 0.000 0.221 1147 A C 2.202 179.743 177.584 -0.072 0.000 1.161 1147 A CA 1.813 53.912 52.037 0.103 0.000 0.653 1147 A CB -0.656 18.500 19.000 0.259 0.000 0.802 1147 A HN 0.648 nan 8.150 nan 0.000 0.457 1148 A N -1.871 120.792 122.820 -0.262 0.000 2.169 1148 A HA 0.406 4.726 4.320 -0.000 0.000 0.212 1148 A C 1.783 179.215 177.584 -0.253 0.000 1.153 1148 A CA 1.190 52.926 52.037 -0.501 0.000 0.756 1148 A CB -0.829 17.759 19.000 -0.687 0.000 0.813 1148 A HN 1.927 nan 8.150 nan 0.000 0.471 1149 G N -0.862 107.899 108.800 -0.065 0.000 2.149 1149 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.235 1149 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.235 1149 G C -0.092 174.950 174.900 0.236 0.000 1.018 1149 G CA 0.308 45.533 45.100 0.208 0.000 0.728 1149 G HN 0.480 nan 8.290 nan 0.000 0.508 1150 I N 0.609 121.143 120.570 -0.060 0.000 2.406 1150 I HA 0.528 4.698 4.170 -0.000 0.000 0.290 1150 I C -0.157 175.860 176.117 -0.167 0.000 0.999 1150 I CA -1.025 60.285 61.300 0.017 0.000 1.124 1150 I CB 1.605 39.594 38.000 -0.018 0.000 1.289 1150 I HN 0.122 nan 8.210 nan 0.000 0.441 1151 H N 5.395 124.587 119.070 0.202 0.000 2.679 1151 H HA 0.568 5.124 4.556 -0.000 0.000 0.360 1151 H C -1.150 174.327 175.328 0.249 0.000 1.105 1151 H CA -0.705 55.516 56.048 0.287 0.000 1.196 1151 H CB 1.890 31.733 29.762 0.135 0.000 1.636 1151 H HN 0.273 nan 8.280 nan 0.000 0.531 1152 L N 2.635 124.115 121.223 0.429 0.000 2.309 1152 L HA 0.508 4.848 4.340 -0.000 0.000 0.282 1152 L C -0.680 176.278 176.870 0.145 0.000 1.036 1152 L CA -0.543 54.380 54.840 0.138 0.000 0.806 1152 L CB 1.704 43.686 42.059 -0.128 0.000 1.220 1152 L HN 0.493 nan 8.230 nan 0.000 0.429 1153 V N 5.280 125.240 119.914 0.076 0.000 2.419 1153 V HA 0.426 4.546 4.120 -0.000 0.000 0.287 1153 V C -0.430 175.662 176.094 -0.004 0.000 1.017 1153 V CA -0.557 61.777 62.300 0.057 0.000 0.844 1153 V CB 1.598 33.467 31.823 0.077 0.000 1.011 1153 V HN 0.455 nan 8.190 nan 0.000 0.429 1154 L N 4.598 125.778 121.223 -0.072 0.000 2.298 1154 L HA 0.873 5.212 4.340 -0.000 0.000 0.284 1154 L C 0.328 177.189 176.870 -0.015 0.000 1.013 1154 L CA -0.412 54.324 54.840 -0.174 0.000 0.824 1154 L CB 1.654 43.347 42.059 -0.610 0.000 1.221 1154 L HN 0.688 nan 8.230 nan 0.000 0.418 1155 A N 2.387 125.284 122.820 0.128 0.000 2.340 1155 A HA 0.878 5.198 4.320 -0.000 0.000 0.331 1155 A C -0.343 177.432 177.584 0.318 0.000 1.140 1155 A CA -0.491 51.665 52.037 0.199 0.000 0.801 1155 A CB 1.976 21.062 19.000 0.143 0.000 1.234 1155 A HN 0.572 nan 8.150 nan 0.000 0.469 1156 T N -0.014 114.697 114.554 0.262 0.000 2.957 1156 T HA 0.410 4.760 4.350 -0.000 0.000 0.336 1156 T C -0.736 174.037 174.700 0.122 0.000 1.462 1156 T CA -0.325 61.889 62.100 0.191 0.000 1.073 1156 T CB 1.361 70.343 68.868 0.189 0.000 1.319 1156 T HN 0.618 nan 8.240 nan 0.000 0.485 1157 Q N 1.815 121.653 119.800 0.063 0.000 2.155 1157 Q HA 0.311 4.650 4.340 -0.000 0.000 0.220 1157 Q C 0.025 176.041 176.000 0.027 0.000 0.819 1157 Q CA -0.065 55.769 55.803 0.051 0.000 1.032 1157 Q CB 0.802 29.561 28.738 0.035 0.000 1.151 1157 Q HN 0.342 nan 8.270 nan 0.000 0.487 1158 R N 1.081 121.587 120.500 0.009 0.000 2.629 1158 R HA 0.253 4.593 4.340 -0.000 0.000 0.277 1158 R C -2.691 173.603 176.300 -0.010 0.000 1.637 1158 R CA -1.612 54.481 56.100 -0.013 0.000 1.663 1158 R CB 0.952 31.223 30.300 -0.047 0.000 1.228 1158 R HN -0.087 nan 8.270 nan 0.000 0.632 1159 P HA -0.039 nan 4.420 nan 0.000 0.252 1159 P C -0.516 176.799 177.300 0.024 0.000 1.694 1159 P CA 0.377 63.503 63.100 0.043 0.000 1.163 1159 P CB 0.313 32.049 31.700 0.060 0.000 1.934 1160 S N -0.243 115.460 115.700 0.004 0.000 2.566 1160 S HA 0.282 4.751 4.470 -0.000 0.000 0.298 1160 S C 1.039 175.644 174.600 0.007 0.000 1.083 1160 S CA -0.792 57.408 58.200 0.000 0.000 0.978 1160 S CB 1.265 64.455 63.200 -0.017 0.000 1.073 1160 S HN -0.021 nan 8.310 nan 0.000 0.491 1161 V N 1.009 120.930 119.914 0.011 0.000 2.828 1161 V HA -0.120 4.000 4.120 -0.000 0.000 0.260 1161 V C 1.406 177.507 176.094 0.012 0.000 1.101 1161 V CA 1.824 64.134 62.300 0.017 0.000 1.123 1161 V CB -1.159 30.672 31.823 0.014 0.000 0.704 1161 V HN 0.807 nan 8.190 nan 0.000 0.493 1162 D N -0.012 120.384 120.400 -0.006 0.000 2.213 1162 D HA -0.026 4.614 4.640 -0.000 0.000 0.205 1162 D C 2.068 178.348 176.300 -0.034 0.000 0.961 1162 D CA 0.881 54.870 54.000 -0.017 0.000 0.853 1162 D CB 0.104 40.886 40.800 -0.031 0.000 0.967 1162 D HN 0.397 nan 8.370 nan 0.000 0.496 1163 V N 1.027 120.904 119.914 -0.061 0.000 2.326 1163 V HA -0.031 4.089 4.120 -0.000 0.000 0.238 1163 V C 1.202 177.332 176.094 0.060 0.000 1.038 1163 V CA 0.505 62.714 62.300 -0.151 0.000 1.032 1163 V CB 0.083 31.732 31.823 -0.290 0.000 0.675 1163 V HN 0.099 nan 8.190 nan 0.000 0.467 1164 I N 3.331 123.975 120.570 0.123 0.000 2.426 1164 I HA 0.084 4.254 4.170 -0.000 0.000 0.282 1164 I C 1.062 177.251 176.117 0.121 0.000 1.064 1164 I CA 0.286 61.709 61.300 0.204 0.000 2.047 1164 I CB -1.881 36.210 38.000 0.152 0.000 1.497 1164 I HN 0.441 nan 8.210 nan 0.000 0.899 1165 T N -0.623 114.003 114.554 0.121 0.000 2.748 1165 T HA 0.279 4.629 4.350 -0.000 0.000 0.304 1165 T C 1.658 176.395 174.700 0.062 0.000 1.041 1165 T CA -0.018 62.126 62.100 0.074 0.000 1.033 1165 T CB 1.356 70.265 68.868 0.068 0.000 0.995 1165 T HN 0.488 nan 8.240 nan 0.000 0.536 1166 G N 0.026 108.851 108.800 0.041 0.000 2.440 1166 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.218 1166 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.218 1166 G C 1.450 176.367 174.900 0.028 0.000 1.154 1166 G CA 0.728 45.846 45.100 0.030 0.000 0.767 1166 G HN 0.704 nan 8.290 nan 0.000 0.552 1167 L N 0.271 121.512 121.223 0.030 0.000 2.046 1167 L HA -0.072 4.267 4.340 -0.000 0.000 0.208 1167 L C 2.882 179.765 176.870 0.022 0.000 1.077 1167 L CA 0.513 55.367 54.840 0.023 0.000 0.747 1167 L CB -0.424 41.650 42.059 0.025 0.000 0.896 1167 L HN 0.135 nan 8.230 nan 0.000 0.432 1168 I N 0.433 121.028 120.570 0.042 0.000 2.127 1168 I HA -0.293 3.876 4.170 -0.000 0.000 0.241 1168 I C 2.510 178.633 176.117 0.009 0.000 1.075 1168 I CA 1.680 62.996 61.300 0.028 0.000 1.334 1168 I CB -1.056 37.002 38.000 0.097 0.000 1.040 1168 I HN 0.306 nan 8.210 nan 0.000 0.405 1169 K N 1.041 121.458 120.400 0.029 0.000 2.026 1169 K HA -0.117 4.202 4.320 -0.000 0.000 0.208 1169 K C 2.188 178.794 176.600 0.010 0.000 1.048 1169 K CA 1.592 57.890 56.287 0.019 0.000 0.929 1169 K CB -0.340 32.175 32.500 0.025 0.000 0.713 1169 K HN 0.295 nan 8.250 nan 0.000 0.439 1170 A N 1.807 124.634 122.820 0.011 0.000 2.024 1170 A HA -0.216 4.103 4.320 -0.000 0.000 0.220 1170 A C 1.534 179.124 177.584 0.010 0.000 1.164 1170 A CA 2.017 54.059 52.037 0.008 0.000 0.643 1170 A CB -0.496 18.509 19.000 0.008 0.000 0.806 1170 A HN 0.358 nan 8.150 nan 0.000 0.451 1171 N N -1.397 117.307 118.700 0.007 0.000 2.432 1171 N HA 0.178 4.918 4.740 -0.000 0.000 0.174 1171 N C -0.414 175.122 175.510 0.043 0.000 1.037 1171 N CA 0.257 53.316 53.050 0.015 0.000 0.892 1171 N CB 0.255 38.733 38.487 -0.015 0.000 1.049 1171 N HN 0.329 nan 8.380 nan 0.000 0.442 1172 I N 2.722 123.305 120.570 0.021 0.000 2.282 1172 I HA 0.182 4.352 4.170 -0.000 0.000 0.290 1172 I C -1.494 174.639 176.117 0.027 0.000 1.090 1172 I CA -2.072 59.255 61.300 0.046 0.000 1.231 1172 I CB 1.190 39.188 38.000 -0.003 0.000 1.434 1172 I HN 0.004 nan 8.210 nan 0.000 0.487 1173 P HA -0.061 nan 4.420 nan 0.000 0.216 1173 P C 0.470 177.743 177.300 -0.045 0.000 1.153 1173 P CA 0.930 64.026 63.100 -0.008 0.000 0.844 1173 P CB 0.108 31.806 31.700 -0.004 0.000 0.787 1174 T N 2.394 116.926 114.554 -0.037 0.000 2.817 1174 T HA 0.338 4.688 4.350 -0.000 0.000 0.293 1174 T C 0.330 174.989 174.700 -0.068 0.000 0.964 1174 T CA -0.170 61.873 62.100 -0.096 0.000 1.085 1174 T CB 0.625 69.474 68.868 -0.033 0.000 0.921 1174 T HN 0.055 nan 8.240 nan 0.000 0.502 1175 R N 2.555 122.972 120.500 -0.139 0.000 2.725 1175 R HA 0.653 4.993 4.340 -0.000 0.000 0.277 1175 R C -1.119 175.140 176.300 -0.068 0.000 0.987 1175 R CA -0.855 55.205 56.100 -0.067 0.000 0.901 1175 R CB 2.219 32.486 30.300 -0.056 0.000 1.207 1175 R HN 0.499 nan 8.270 nan 0.000 0.463 1176 I N 1.291 121.858 120.570 -0.005 0.000 2.499 1176 I HA 0.438 4.608 4.170 -0.000 0.000 0.288 1176 I C -0.673 175.394 176.117 -0.084 0.000 1.048 1176 I CA -0.752 60.522 61.300 -0.043 0.000 1.062 1176 I CB 2.212 40.189 38.000 -0.039 0.000 1.238 1176 I HN 0.665 nan 8.210 nan 0.000 0.426 1177 A N 6.668 129.406 122.820 -0.136 0.000 2.310 1177 A HA 0.718 5.038 4.320 -0.000 0.000 0.304 1177 A C -0.788 176.721 177.584 -0.126 0.000 1.231 1177 A CA -0.328 51.672 52.037 -0.062 0.000 0.799 1177 A CB 0.290 19.284 19.000 -0.010 0.000 1.162 1177 A HN 0.512 nan 8.150 nan 0.000 0.486 1178 F N 0.812 120.800 119.950 0.064 0.000 2.299 1178 F HA 0.295 4.822 4.527 -0.000 0.000 0.293 1178 F C 1.625 177.456 175.800 0.052 0.000 1.252 1178 F CA 0.348 58.384 58.000 0.061 0.000 1.160 1178 F CB 0.519 39.554 39.000 0.059 0.000 1.405 1178 F HN 0.477 nan 8.300 nan 0.000 0.517 1179 T N 2.389 117.102 114.554 0.265 0.000 2.866 1179 T HA 0.367 4.717 4.350 -0.000 0.000 0.293 1179 T C -0.140 174.633 174.700 0.122 0.000 1.005 1179 T CA -0.310 61.880 62.100 0.150 0.000 1.162 1179 T CB -0.302 68.641 68.868 0.124 0.000 0.968 1179 T HN 0.477 nan 8.240 nan 0.000 0.530 1180 V N 0.955 120.922 119.914 0.088 0.000 3.177 1180 V HA 0.668 4.788 4.120 -0.000 0.000 0.319 1180 V C 1.108 177.233 176.094 0.051 0.000 1.125 1180 V CA -0.353 61.989 62.300 0.070 0.000 1.029 1180 V CB 1.684 33.544 31.823 0.062 0.000 1.119 1180 V HN 0.799 nan 8.190 nan 0.000 0.452 1181 S N 0.356 116.080 115.700 0.041 0.000 2.406 1181 S HA 0.132 4.602 4.470 -0.000 0.000 0.224 1181 S C 0.963 175.578 174.600 0.025 0.000 1.030 1181 S CA 0.547 58.766 58.200 0.031 0.000 0.958 1181 S CB -0.467 62.748 63.200 0.025 0.000 0.811 1181 S HN 1.575 nan 8.310 nan 0.000 0.489 1182 S N 0.063 115.778 115.700 0.025 0.000 2.704 1182 S HA 0.556 5.026 4.470 -0.000 0.000 0.296 1182 S C 0.111 174.723 174.600 0.020 0.000 1.138 1182 S CA -1.028 57.184 58.200 0.020 0.000 0.875 1182 S CB 1.637 64.847 63.200 0.017 0.000 1.151 1182 S HN 0.098 nan 8.310 nan 0.000 0.500 1183 K N 0.206 120.616 120.400 0.016 0.000 2.217 1183 K HA 0.092 4.411 4.320 -0.000 0.000 0.202 1183 K C 1.891 178.500 176.600 0.015 0.000 1.051 1183 K CA 1.354 57.650 56.287 0.015 0.000 0.952 1183 K CB -0.581 31.926 32.500 0.011 0.000 0.736 1183 K HN 0.735 nan 8.250 nan 0.000 0.453 1184 I N -1.090 119.489 120.570 0.015 0.000 2.439 1184 I HA -0.162 4.008 4.170 -0.000 0.000 0.251 1184 I C 1.308 177.436 176.117 0.019 0.000 1.139 1184 I CA 1.430 62.739 61.300 0.015 0.000 1.438 1184 I CB -0.071 37.937 38.000 0.013 0.000 1.085 1184 I HN -0.048 nan 8.210 nan 0.000 0.427 1185 D N 1.043 121.457 120.400 0.022 0.000 2.103 1185 D HA -0.171 4.469 4.640 -0.000 0.000 0.199 1185 D C 2.318 178.637 176.300 0.032 0.000 0.978 1185 D CA 1.730 55.747 54.000 0.029 0.000 0.829 1185 D CB 0.005 40.825 40.800 0.033 0.000 0.981 1185 D HN 0.415 nan 8.370 nan 0.000 0.464 1186 S N 0.385 116.103 115.700 0.029 0.000 2.370 1186 S HA -0.162 4.308 4.470 -0.000 0.000 0.226 1186 S C 1.948 176.560 174.600 0.019 0.000 1.033 1186 S CA 1.024 59.239 58.200 0.026 0.000 1.011 1186 S CB 0.045 63.258 63.200 0.021 0.000 0.852 1186 S HN 0.123 nan 8.310 nan 0.000 0.457 1187 R N -0.154 120.356 120.500 0.016 0.000 2.120 1187 R HA -0.016 4.324 4.340 -0.000 0.000 0.234 1187 R C 2.375 178.685 176.300 0.017 0.000 1.123 1187 R CA 1.746 57.854 56.100 0.012 0.000 0.975 1187 R CB -0.581 29.726 30.300 0.011 0.000 0.866 1187 R HN 0.389 nan 8.270 nan 0.000 0.446 1188 T N 0.945 115.513 114.554 0.024 0.000 2.821 1188 T HA -0.036 4.314 4.350 -0.000 0.000 0.267 1188 T C 1.669 176.392 174.700 0.038 0.000 1.046 1188 T CA 0.890 63.008 62.100 0.031 0.000 1.139 1188 T CB 0.058 68.947 68.868 0.036 0.000 0.871 1188 T HN 0.081 nan 8.240 nan 0.000 0.454 1189 I N 0.347 120.939 120.570 0.037 0.000 2.429 1189 I HA 0.142 4.312 4.170 -0.000 0.000 0.247 1189 I C 1.823 177.948 176.117 0.013 0.000 1.099 1189 I CA 1.250 62.573 61.300 0.038 0.000 1.422 1189 I CB -0.895 37.131 38.000 0.044 0.000 1.112 1189 I HN 0.248 nan 8.210 nan 0.000 0.430 1190 L N -0.020 121.204 121.223 0.003 0.000 2.766 1190 L HA 0.226 4.566 4.340 -0.000 0.000 0.242 1190 L C -0.240 176.621 176.870 -0.014 0.000 1.136 1190 L CA -0.043 54.788 54.840 -0.016 0.000 0.933 1190 L CB 0.077 42.121 42.059 -0.025 0.000 1.241 1190 L HN 0.118 nan 8.230 nan 0.000 0.522 1191 D N 2.029 122.428 120.400 -0.003 0.000 2.708 1191 D HA -0.236 4.403 4.640 -0.000 0.000 0.236 1191 D C 0.178 176.474 176.300 -0.005 0.000 1.146 1191 D CA 1.095 55.094 54.000 -0.002 0.000 0.662 1191 D CB -0.556 40.241 40.800 -0.005 0.000 1.059 1191 D HN 0.611 nan 8.370 nan 0.000 0.428 1192 Q N -1.625 118.172 119.800 -0.003 0.000 2.766 1192 Q HA 0.466 4.805 4.340 -0.000 0.000 0.240 1192 Q C -1.548 174.451 176.000 -0.000 0.000 0.993 1192 Q CA -0.260 55.540 55.803 -0.004 0.000 1.006 1192 Q CB 0.775 29.507 28.738 -0.010 0.000 1.804 1192 Q HN 0.087 nan 8.270 nan 0.000 0.464 1193 A N 1.123 123.945 122.820 0.002 0.000 2.292 1193 A HA 0.788 5.108 4.320 -0.000 0.000 0.265 1193 A C 1.076 178.663 177.584 0.006 0.000 1.133 1193 A CA 0.953 52.994 52.037 0.006 0.000 0.807 1193 A CB 0.024 19.028 19.000 0.006 0.000 1.102 1193 A HN 1.790 nan 8.150 nan 0.000 0.502 1194 G N -2.649 106.158 108.800 0.011 0.000 2.545 1194 G HA2 0.129 4.089 3.960 -0.000 0.000 0.195 1194 G HA3 0.129 4.089 3.960 -0.000 0.000 0.195 1194 G C 1.134 176.046 174.900 0.020 0.000 1.009 1194 G CA 0.871 45.979 45.100 0.014 0.000 0.703 1194 G HN 1.736 nan 8.290 nan 0.000 0.479 1195 A N 0.974 123.806 122.820 0.020 0.000 2.016 1195 A HA 0.332 4.652 4.320 -0.000 0.000 0.217 1195 A C 1.869 179.478 177.584 0.042 0.000 1.162 1195 A CA 2.139 54.194 52.037 0.030 0.000 0.662 1195 A CB -0.322 18.696 19.000 0.030 0.000 0.812 1195 A HN 0.731 nan 8.150 nan 0.000 0.450 1196 E N 0.136 120.357 120.200 0.035 0.000 2.511 1196 E HA 0.065 4.415 4.350 -0.000 0.000 0.196 1196 E C 0.931 177.551 176.600 0.034 0.000 1.066 1196 E CA 0.964 57.385 56.400 0.035 0.000 0.871 1196 E CB -0.510 29.207 29.700 0.027 0.000 0.863 1196 E HN 0.291 nan 8.360 nan 0.000 0.520 1197 S N 0.275 115.995 115.700 0.034 0.000 2.574 1197 S HA 0.287 4.757 4.470 -0.000 0.000 0.242 1197 S C 0.154 174.781 174.600 0.045 0.000 0.982 1197 S CA -0.447 57.773 58.200 0.033 0.000 0.977 1197 S CB -0.102 63.115 63.200 0.028 0.000 0.814 1197 S HN 0.169 nan 8.310 nan 0.000 0.464 1198 L N 1.029 122.285 121.223 0.055 0.000 2.379 1198 L HA 0.428 4.767 4.340 -0.000 0.000 0.269 1198 L C 0.628 177.539 176.870 0.068 0.000 1.084 1198 L CA -0.544 54.340 54.840 0.073 0.000 0.802 1198 L CB 0.831 42.944 42.059 0.090 0.000 1.175 1198 L HN 0.166 nan 8.230 nan 0.000 0.448 1199 L N 1.830 123.095 121.223 0.071 0.000 2.688 1199 L HA 0.259 4.599 4.340 -0.000 0.000 0.234 1199 L C 1.125 178.024 176.870 0.048 0.000 1.192 1199 L CA -0.150 54.718 54.840 0.046 0.000 0.984 1199 L CB -1.099 40.974 42.059 0.024 0.000 1.232 1199 L HN 0.948 nan 8.230 nan 0.000 0.465 1200 G N 0.451 109.299 108.800 0.079 0.000 2.726 1200 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.261 1200 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.261 1200 G C 0.275 175.221 174.900 0.077 0.000 1.352 1200 G CA -0.088 45.060 45.100 0.082 0.000 0.906 1200 G HN 0.387 nan 8.290 nan 0.000 0.566 1201 M N -0.829 118.799 119.600 0.047 0.000 2.350 1201 M HA -0.158 4.321 4.480 -0.000 0.000 0.190 1201 M C 1.676 178.027 176.300 0.085 0.000 0.710 1201 M CA 1.691 57.004 55.300 0.022 0.000 0.495 1201 M CB -1.821 30.758 32.600 -0.035 0.000 1.136 1201 M HN 2.931 nan 8.290 nan 0.000 0.901 1202 G N -0.903 107.986 108.800 0.149 0.000 2.205 1202 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.261 1202 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.261 1202 G C -0.107 175.069 174.900 0.460 0.000 0.980 1202 G CA 0.361 45.662 45.100 0.335 0.000 0.632 1202 G HN 0.637 nan 8.290 nan 0.000 0.533 1203 D N 1.396 121.992 120.400 0.327 0.000 2.458 1203 D HA 0.523 5.163 4.640 -0.000 0.000 0.243 1203 D C 0.976 177.406 176.300 0.218 0.000 1.146 1203 D CA 0.865 55.035 54.000 0.282 0.000 0.877 1203 D CB 0.157 41.084 40.800 0.211 0.000 1.176 1203 D HN 0.732 nan 8.370 nan 0.000 0.461 1204 M N 1.136 120.767 119.600 0.052 0.000 2.721 1204 M HA 0.478 4.958 4.480 -0.000 0.000 0.271 1204 M C -1.726 174.505 176.300 -0.114 0.000 1.259 1204 M CA -1.038 54.163 55.300 -0.165 0.000 0.835 1204 M CB 1.715 33.960 32.600 -0.591 0.000 1.689 1204 M HN 0.065 nan 8.290 nan 0.000 0.470 1205 L N 2.411 123.555 121.223 -0.131 0.000 2.345 1205 L HA 0.486 4.826 4.340 -0.000 0.000 0.274 1205 L C -1.594 175.259 176.870 -0.027 0.000 0.999 1205 L CA -0.723 54.083 54.840 -0.056 0.000 0.849 1205 L CB 1.419 43.455 42.059 -0.039 0.000 1.220 1205 L HN 0.670 nan 8.230 nan 0.000 0.422 1206 Y N 2.758 122.981 120.300 -0.127 0.000 2.319 1206 Y HA 0.318 4.867 4.550 -0.000 0.000 0.328 1206 Y C 0.161 176.020 175.900 -0.068 0.000 1.133 1206 Y CA -0.144 57.893 58.100 -0.105 0.000 1.265 1206 Y CB 1.628 40.032 38.460 -0.092 0.000 1.218 1206 Y HN 0.431 nan 8.280 nan 0.000 0.508 1207 S N 5.029 120.346 115.700 -0.638 0.000 2.652 1207 S HA 0.546 5.015 4.470 -0.000 0.000 0.252 1207 S C -0.093 174.128 174.600 -0.631 0.000 1.219 1207 S CA -0.281 57.625 58.200 -0.491 0.000 1.151 1207 S CB -0.417 62.640 63.200 -0.238 0.000 1.080 1207 S HN 1.143 nan 8.310 nan 0.000 0.481 1208 G N 3.836 112.250 108.800 -0.643 0.000 2.651 1208 G HA2 0.409 4.369 3.960 -0.000 0.000 0.260 1208 G HA3 0.409 4.369 3.960 -0.000 0.000 0.260 1208 G C -1.433 173.350 174.900 -0.195 0.000 1.216 1208 G CA -1.062 43.796 45.100 -0.404 0.000 0.913 1208 G HN 0.513 nan 8.290 nan 0.000 0.535 1209 P HA 0.002 nan 4.420 nan 0.000 0.239 1209 P C 0.500 177.773 177.300 -0.045 0.000 1.188 1209 P CA 0.574 63.635 63.100 -0.065 0.000 0.794 1209 P CB 0.468 32.144 31.700 -0.040 0.000 0.937 1210 N N -0.280 118.397 118.700 -0.040 0.000 2.327 1210 N HA 0.163 4.903 4.740 -0.000 0.000 0.231 1210 N C -0.214 175.280 175.510 -0.026 0.000 1.130 1210 N CA -0.094 52.942 53.050 -0.024 0.000 0.845 1210 N CB 0.244 38.725 38.487 -0.010 0.000 1.073 1210 N HN -0.016 nan 8.380 nan 0.000 0.496 1211 S N -1.340 114.335 115.700 -0.041 0.000 2.580 1211 S HA 0.156 4.625 4.470 -0.000 0.000 0.281 1211 S C 0.165 174.735 174.600 -0.049 0.000 1.129 1211 S CA -0.592 57.585 58.200 -0.038 0.000 0.862 1211 S CB 1.250 64.432 63.200 -0.032 0.000 1.090 1211 S HN 0.009 nan 8.310 nan 0.000 0.451 1212 T N 3.224 117.756 114.554 -0.037 0.000 3.065 1212 T HA 0.293 4.642 4.350 -0.000 0.000 0.252 1212 T C 0.294 174.972 174.700 -0.037 0.000 1.099 1212 T CA 0.391 62.469 62.100 -0.037 0.000 1.063 1212 T CB -0.287 68.565 68.868 -0.026 0.000 0.948 1212 T HN 0.460 nan 8.240 nan 0.000 0.506 1213 L N 3.789 124.992 121.223 -0.033 0.000 2.276 1213 L HA 0.412 4.752 4.340 -0.000 0.000 0.286 1213 L C -2.140 174.709 176.870 -0.036 0.000 1.061 1213 L CA -2.125 52.699 54.840 -0.027 0.000 0.807 1213 L CB 0.510 42.559 42.059 -0.016 0.000 1.177 1213 L HN -0.078 nan 8.230 nan 0.000 0.429 1214 P HA 0.247 nan 4.420 nan 0.000 0.281 1214 P C -0.920 176.376 177.300 -0.006 0.000 1.249 1214 P CA -0.418 62.658 63.100 -0.040 0.000 0.810 1214 P CB 2.083 33.757 31.700 -0.042 0.000 1.008 1215 V N 3.046 122.976 119.914 0.026 0.000 2.357 1215 V HA 0.322 4.442 4.120 -0.000 0.000 0.284 1215 V C 0.935 177.042 176.094 0.021 0.000 1.018 1215 V CA -0.775 61.550 62.300 0.041 0.000 0.841 1215 V CB 1.027 32.907 31.823 0.094 0.000 0.991 1215 V HN 0.580 nan 8.190 nan 0.000 0.437 1216 R N 3.654 124.138 120.500 -0.027 0.000 2.694 1216 R HA 0.558 4.898 4.340 -0.000 0.000 0.268 1216 R C -1.199 175.005 176.300 -0.160 0.000 1.061 1216 R CA 0.071 56.127 56.100 -0.075 0.000 1.133 1216 R CB 0.870 31.129 30.300 -0.068 0.000 1.020 1216 R HN 0.524 nan 8.270 nan 0.000 0.475 1217 V N 3.808 123.595 119.914 -0.211 0.000 2.852 1217 V HA 0.178 4.298 4.120 -0.000 0.000 0.300 1217 V C -1.271 174.699 176.094 -0.205 0.000 1.205 1217 V CA -0.971 61.170 62.300 -0.265 0.000 0.940 1217 V CB 1.910 33.641 31.823 -0.153 0.000 1.047 1217 V HN 0.835 nan 8.190 nan 0.000 0.429 1218 H N 2.846 121.932 119.070 0.027 0.000 2.761 1218 H HA 0.407 4.963 4.556 -0.000 0.000 0.284 1218 H C 0.754 176.124 175.328 0.071 0.000 1.105 1218 H CA -0.020 56.060 56.048 0.053 0.000 1.352 1218 H CB 1.274 31.060 29.762 0.040 0.000 1.423 1218 H HN 0.877 nan 8.280 nan 0.000 0.464 1219 G N 1.993 110.931 108.800 0.230 0.000 2.414 1219 G HA2 0.242 4.202 3.960 -0.000 0.000 0.236 1219 G HA3 0.242 4.202 3.960 -0.000 0.000 0.236 1219 G C 0.362 175.363 174.900 0.168 0.000 1.293 1219 G CA -0.078 45.155 45.100 0.222 0.000 0.869 1219 G HN 0.789 nan 8.290 nan 0.000 0.556 1220 A N 1.635 124.523 122.820 0.115 0.000 2.425 1220 A HA 0.532 4.852 4.320 -0.000 0.000 0.242 1220 A C -0.420 177.229 177.584 0.107 0.000 1.077 1220 A CA -0.211 51.875 52.037 0.083 0.000 0.781 1220 A CB 0.412 19.427 19.000 0.024 0.000 1.020 1220 A HN 0.869 nan 8.150 nan 0.000 0.494 1221 F N 1.948 121.842 119.950 -0.094 0.000 2.450 1221 F HA 0.595 5.122 4.527 -0.000 0.000 0.332 1221 F C -0.358 175.383 175.800 -0.098 0.000 1.093 1221 F CA -0.797 57.131 58.000 -0.121 0.000 1.003 1221 F CB 1.825 40.696 39.000 -0.216 0.000 1.151 1221 F HN 0.487 nan 8.300 nan 0.000 0.474 1222 V N 7.122 126.412 119.914 -1.040 0.000 2.655 1222 V HA 0.502 4.622 4.120 -0.000 0.000 0.301 1222 V C -0.854 174.661 176.094 -0.964 0.000 1.082 1222 V CA -0.735 61.109 62.300 -0.760 0.000 0.899 1222 V CB 1.621 33.251 31.823 -0.322 0.000 1.014 1222 V HN 0.884 nan 8.190 nan 0.000 0.429 1223 R N 4.093 124.188 120.500 -0.674 0.000 2.643 1223 R HA 0.200 4.539 4.340 -0.000 0.000 0.270 1223 R C 0.509 176.687 176.300 -0.202 0.000 1.061 1223 R CA -0.250 55.630 56.100 -0.366 0.000 1.107 1223 R CB 0.517 30.754 30.300 -0.105 0.000 0.999 1223 R HN 0.737 nan 8.270 nan 0.000 0.460 1224 D N 1.383 121.708 120.400 -0.125 0.000 2.221 1224 D HA -0.174 4.466 4.640 -0.000 0.000 0.204 1224 D C 1.662 177.964 176.300 0.002 0.000 0.982 1224 D CA 1.373 55.341 54.000 -0.053 0.000 0.857 1224 D CB 0.192 40.973 40.800 -0.031 0.000 0.934 1224 D HN 0.424 nan 8.370 nan 0.000 0.475 1225 Q N 0.827 120.596 119.800 -0.051 0.000 2.172 1225 Q HA -0.079 4.261 4.340 -0.000 0.000 0.200 1225 Q C 1.645 177.660 176.000 0.025 0.000 0.964 1225 Q CA 1.203 56.973 55.803 -0.055 0.000 0.855 1225 Q CB -0.003 28.693 28.738 -0.070 0.000 0.918 1225 Q HN 0.347 nan 8.270 nan 0.000 0.444 1226 E N -1.004 119.198 120.200 0.004 0.000 2.072 1226 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 1226 E C 1.917 178.553 176.600 0.061 0.000 0.985 1226 E CA 1.315 57.735 56.400 0.032 0.000 0.801 1226 E CB 0.037 29.735 29.700 -0.003 0.000 0.750 1226 E HN 0.166 nan 8.360 nan 0.000 0.452 1227 V N 1.032 120.962 119.914 0.027 0.000 2.392 1227 V HA -0.284 3.836 4.120 -0.000 0.000 0.249 1227 V C 1.932 178.012 176.094 -0.022 0.000 1.059 1227 V CA 2.125 64.421 62.300 -0.008 0.000 1.051 1227 V CB -0.680 31.081 31.823 -0.103 0.000 0.658 1227 V HN 0.265 nan 8.190 nan 0.000 0.455 1228 H N 0.228 119.244 119.070 -0.089 0.000 2.321 1228 H HA -0.037 4.519 4.556 -0.000 0.000 0.300 1228 H C 2.268 177.587 175.328 -0.015 0.000 1.087 1228 H CA 1.829 57.836 56.048 -0.069 0.000 1.319 1228 H CB -0.508 29.221 29.762 -0.054 0.000 1.379 1228 H HN 0.426 nan 8.280 nan 0.000 0.501 1229 A N 0.058 122.961 122.820 0.138 0.000 1.865 1229 A HA -0.166 4.153 4.320 -0.000 0.000 0.217 1229 A C 2.646 180.287 177.584 0.095 0.000 1.191 1229 A CA 1.955 54.051 52.037 0.098 0.000 0.623 1229 A CB -0.991 18.060 19.000 0.086 0.000 0.826 1229 A HN 0.247 nan 8.150 nan 0.000 0.444 1230 V N -0.298 119.690 119.914 0.123 0.000 2.287 1230 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 1230 V C 2.587 178.811 176.094 0.217 0.000 1.053 1230 V CA 2.025 64.423 62.300 0.164 0.000 1.027 1230 V CB -0.856 31.109 31.823 0.236 0.000 0.646 1230 V HN 0.372 nan 8.190 nan 0.000 0.447 1231 V N -0.678 119.324 119.914 0.145 0.000 2.332 1231 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 1231 V C 2.592 178.770 176.094 0.140 0.000 1.055 1231 V CA 1.877 64.258 62.300 0.136 0.000 1.038 1231 V CB -0.643 31.142 31.823 -0.064 0.000 0.651 1231 V HN 0.502 nan 8.190 nan 0.000 0.450 1232 Q N -0.335 119.513 119.800 0.080 0.000 2.119 1232 Q HA -0.234 4.106 4.340 -0.000 0.000 0.201 1232 Q C 2.070 178.114 176.000 0.073 0.000 0.972 1232 Q CA 2.134 57.978 55.803 0.069 0.000 0.847 1232 Q CB -0.472 28.300 28.738 0.056 0.000 0.903 1232 Q HN 0.806 nan 8.270 nan 0.000 0.433 1233 D N -1.042 119.393 120.400 0.059 0.000 2.117 1233 D HA -0.177 4.463 4.640 -0.000 0.000 0.197 1233 D C 1.576 177.856 176.300 -0.034 0.000 0.987 1233 D CA 1.148 55.135 54.000 -0.023 0.000 0.829 1233 D CB -0.102 40.643 40.800 -0.091 0.000 0.961 1233 D HN 0.235 nan 8.370 nan 0.000 0.460 1234 W N 0.744 122.059 121.300 0.025 0.000 2.418 1234 W HA 0.061 4.721 4.660 -0.000 0.000 0.292 1234 W C 2.322 178.868 176.519 0.045 0.000 1.213 1234 W CA 0.549 57.928 57.345 0.058 0.000 1.283 1234 W CB 0.091 29.631 29.460 0.132 0.000 1.119 1234 W HN -0.101 nan 8.180 nan 0.000 0.542 1235 K N -0.089 120.480 120.400 0.282 0.000 2.280 1235 K HA -0.118 4.202 4.320 -0.000 0.000 0.202 1235 K C 2.042 178.704 176.600 0.103 0.000 1.047 1235 K CA 1.151 57.539 56.287 0.169 0.000 0.942 1235 K CB -0.391 32.176 32.500 0.111 0.000 0.739 1235 K HN 0.112 nan 8.250 nan 0.000 0.457 1236 A N 1.468 124.332 122.820 0.073 0.000 2.067 1236 A HA -0.109 4.210 4.320 -0.000 0.000 0.219 1236 A C 1.744 179.337 177.584 0.014 0.000 1.158 1236 A CA 0.889 52.941 52.037 0.024 0.000 0.661 1236 A CB -0.180 18.816 19.000 -0.007 0.000 0.801 1236 A HN 0.207 nan 8.150 nan 0.000 0.452 1237 R N -0.730 119.790 120.500 0.034 0.000 2.313 1237 R HA 0.304 4.643 4.340 -0.000 0.000 0.199 1237 R C 0.607 176.941 176.300 0.056 0.000 0.958 1237 R CA 0.514 56.629 56.100 0.024 0.000 1.047 1237 R CB -0.069 30.227 30.300 -0.006 0.000 0.955 1237 R HN 0.542 nan 8.270 nan 0.000 0.481 1238 G N 1.421 110.258 108.800 0.062 0.000 2.326 1238 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.413 1238 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.413 1238 G C -1.394 173.519 174.900 0.022 0.000 1.444 1238 G CA -1.203 43.915 45.100 0.031 0.000 1.002 1238 G HN 0.095 nan 8.290 nan 0.000 0.649 1239 R N 0.671 121.154 120.500 -0.029 0.000 2.536 1239 R HA 0.659 4.999 4.340 -0.000 0.000 0.279 1239 R C -2.472 173.740 176.300 -0.147 0.000 1.001 1239 R CA -1.701 54.351 56.100 -0.079 0.000 1.027 1239 R CB 0.967 31.199 30.300 -0.114 0.000 1.096 1239 R HN 0.468 nan 8.270 nan 0.000 0.502 1240 P HA -0.042 nan 4.420 nan 0.000 0.266 1240 P C -0.731 176.326 177.300 -0.405 0.000 1.195 1240 P CA -0.120 62.816 63.100 -0.274 0.000 0.768 1240 P CB 0.573 32.131 31.700 -0.236 0.000 0.838 1241 Q N 3.010 122.688 119.800 -0.204 0.000 2.673 1241 Q HA 0.190 4.530 4.340 -0.000 0.000 0.224 1241 Q C -0.749 175.236 176.000 -0.025 0.000 1.226 1241 Q CA -0.493 55.231 55.803 -0.133 0.000 1.019 1241 Q CB -1.121 27.580 28.738 -0.062 0.000 1.312 1241 Q HN 0.330 nan 8.270 nan 0.000 0.566 1242 Y N 0.770 121.052 120.300 -0.030 0.000 2.788 1242 Y HA 0.041 4.591 4.550 -0.000 0.000 0.341 1242 Y C 0.386 176.250 175.900 -0.061 0.000 1.258 1242 Y CA -0.637 57.432 58.100 -0.053 0.000 1.503 1242 Y CB 0.670 39.101 38.460 -0.049 0.000 1.325 1242 Y HN 0.140 nan 8.280 nan 0.000 0.614 1243 V N 3.751 123.706 119.914 0.067 0.000 2.394 1243 V HA 0.073 4.193 4.120 -0.000 0.000 0.282 1243 V C -0.207 175.846 176.094 -0.070 0.000 1.031 1243 V CA -0.831 61.457 62.300 -0.020 0.000 0.881 1243 V CB 1.344 33.098 31.823 -0.114 0.000 0.982 1243 V HN 0.676 nan 8.190 nan 0.000 0.451 1244 D N 2.998 123.396 120.400 -0.004 0.000 2.372 1244 D HA 0.443 5.083 4.640 -0.000 0.000 0.243 1244 D C 1.198 177.485 176.300 -0.022 0.000 1.121 1244 D CA 1.562 55.557 54.000 -0.010 0.000 0.898 1244 D CB 1.285 42.104 40.800 0.032 0.000 1.202 1244 D HN 0.901 nan 8.370 nan 0.000 0.428 1245 G N 1.349 110.130 108.800 -0.033 0.000 2.184 1245 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.264 1245 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.264 1245 G C 1.303 176.177 174.900 -0.045 0.000 0.975 1245 G CA 0.471 45.572 45.100 0.001 0.000 0.642 1245 G HN 0.548 nan 8.290 nan 0.000 0.536 1246 I N 0.250 120.656 120.570 -0.274 0.000 2.208 1246 I HA -0.141 4.029 4.170 -0.000 0.000 0.245 1246 I C 2.679 178.706 176.117 -0.149 0.000 1.097 1246 I CA 2.068 63.085 61.300 -0.473 0.000 1.363 1246 I CB -0.295 37.251 38.000 -0.757 0.000 1.051 1246 I HN 0.258 nan 8.210 nan 0.000 0.413 1247 T N -0.650 113.828 114.554 -0.126 0.000 3.065 1247 T HA 0.005 4.355 4.350 -0.000 0.000 0.252 1247 T C 1.748 176.436 174.700 -0.019 0.000 1.099 1247 T CA 1.040 63.101 62.100 -0.065 0.000 1.063 1247 T CB 0.105 68.919 68.868 -0.091 0.000 0.948 1247 T HN 0.513 nan 8.240 nan 0.000 0.506 1248 S N 0.383 116.080 115.700 -0.005 0.000 2.783 1248 S HA 0.554 5.024 4.470 -0.000 0.000 0.205 1248 S C 0.699 175.325 174.600 0.043 0.000 0.910 1248 S CA 0.575 58.784 58.200 0.015 0.000 0.861 1248 S CB -0.106 63.099 63.200 0.009 0.000 0.830 1248 S HN 0.553 nan 8.310 nan 0.000 0.630 1249 D N 0.000 120.438 120.400 0.063 0.000 6.856 1249 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 1249 D CA 0.000 nan 54.000 nan 0.000 0.868 1249 D CB 0.000 nan 40.800 nan 0.000 0.688 1249 D HN 0.000 nan 8.370 nan 0.000 0.683