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 2om2_1_C DATA FIRST_RESID 1030 DATA SEQUENCE GAREVKLLLL GAGESGKSTI VKQMKIIHEA GYSEEECKQY KAVVYSNTIQ DATA SEQUENCE SIIAIIRAMG RLKIDFGDSA RADDARQLFV LAGAAEEGFM TAELAGVIKR DATA SEQUENCE LWKDSGVQAC FNRSREYQLN DSAAYYLNDL DRIAQPNYIP TQQDVLRTRV DATA SEQUENCE KTTGIVETHF TFKDLHFKMF DVGGQRSERK KWIHCFEGVT AIIFCVALSD DATA SEQUENCE YDLVLAEDEE MNRMHESMKL FDSICNNKWF TDTSIILFLN KKDLFEEKIK DATA SEQUENCE KSPLTICYPE YAGSNTYEEA AAYIQCQFED LNKRKDTKEI YTHFTCATDT DATA SEQUENCE KNVQFVFDAV TDVIIKNN 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 1030 G HA2 0.000 nan 3.960 nan 0.000 0.244 1030 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1030 G C 0.000 174.901 174.900 0.002 0.000 0.946 1030 G CA 0.000 45.096 45.100 -0.006 0.000 0.502 1031 A N 0.267 123.104 122.820 0.028 0.000 1.972 1031 A HA 0.321 4.641 4.320 0.000 0.000 0.219 1031 A C 1.578 179.197 177.584 0.059 0.000 1.169 1031 A CA 1.998 54.090 52.037 0.092 0.000 0.635 1031 A CB -0.363 18.728 19.000 0.151 0.000 0.810 1031 A HN 1.682 nan 8.150 nan 0.000 0.446 1032 R N -0.130 120.376 120.500 0.011 0.000 1.884 1032 R HA -0.126 4.214 4.340 0.000 0.000 0.377 1032 R C -0.589 175.674 176.300 -0.062 0.000 1.211 1032 R CA 0.968 57.041 56.100 -0.045 0.000 1.026 1032 R CB -1.721 28.524 30.300 -0.091 0.000 3.052 1032 R HN 0.832 nan 8.270 nan 0.000 0.489 1033 E N 1.860 122.030 120.200 -0.050 0.000 2.214 1033 E HA 0.578 4.929 4.350 0.000 0.000 0.274 1033 E C -0.755 175.772 176.600 -0.121 0.000 0.977 1033 E CA -0.847 55.517 56.400 -0.059 0.000 0.827 1033 E CB 1.396 31.093 29.700 -0.006 0.000 1.130 1033 E HN 0.250 nan 8.360 nan 0.000 0.394 1034 V N 4.474 124.276 119.914 -0.186 0.000 2.443 1034 V HA 0.260 4.380 4.120 0.000 0.000 0.293 1034 V C -0.425 175.694 176.094 0.041 0.000 1.021 1034 V CA -0.808 61.408 62.300 -0.141 0.000 0.848 1034 V CB 1.536 33.132 31.823 -0.378 0.000 0.998 1034 V HN 0.600 nan 8.190 nan 0.000 0.424 1035 K N 4.596 125.054 120.400 0.096 0.000 2.262 1035 K HA 0.551 4.871 4.320 0.000 0.000 0.282 1035 K C -1.448 175.278 176.600 0.210 0.000 1.066 1035 K CA -0.605 55.792 56.287 0.183 0.000 0.901 1035 K CB 0.781 33.349 32.500 0.113 0.000 1.089 1035 K HN 0.400 nan 8.250 nan 0.000 0.476 1036 L N 5.511 126.911 121.223 0.295 0.000 2.305 1036 L HA 0.405 4.745 4.340 0.000 0.000 0.284 1036 L C -1.123 175.918 176.870 0.285 0.000 1.013 1036 L CA -0.721 54.281 54.840 0.269 0.000 0.819 1036 L CB 1.307 43.550 42.059 0.306 0.000 1.227 1036 L HN 0.563 nan 8.230 nan 0.000 0.417 1037 L N 5.161 126.512 121.223 0.215 0.000 2.298 1037 L HA 0.571 4.911 4.340 0.000 0.000 0.284 1037 L C -1.108 175.868 176.870 0.177 0.000 1.013 1037 L CA -0.303 54.671 54.840 0.222 0.000 0.824 1037 L CB 1.133 43.331 42.059 0.232 0.000 1.221 1037 L HN 0.304 nan 8.230 nan 0.000 0.418 1038 L N 6.298 127.615 121.223 0.156 0.000 2.305 1038 L HA 0.532 4.872 4.340 0.000 0.000 0.281 1038 L C -0.183 176.750 176.870 0.105 0.000 1.085 1038 L CA 0.317 55.205 54.840 0.081 0.000 0.813 1038 L CB 1.015 43.106 42.059 0.054 0.000 1.157 1038 L HN 0.606 nan 8.230 nan 0.000 0.436 1039 L N 1.774 123.009 121.223 0.019 0.000 2.341 1039 L HA 0.983 5.324 4.340 0.000 0.000 0.254 1039 L C -0.036 176.603 176.870 -0.386 0.000 1.040 1039 L CA -0.777 54.051 54.840 -0.020 0.000 0.837 1039 L CB 2.403 44.540 42.059 0.130 0.000 1.425 1039 L HN 0.677 nan 8.230 nan 0.000 0.414 1040 G N 0.179 108.729 108.800 -0.416 0.000 2.317 1040 G HA2 0.403 4.363 3.960 0.000 0.000 0.445 1040 G HA3 0.403 4.363 3.960 0.000 0.000 0.445 1040 G C -1.169 173.626 174.900 -0.174 0.000 1.486 1040 G CA -0.326 44.434 45.100 -0.567 0.000 0.991 1040 G HN 0.838 nan 8.290 nan 0.000 0.660 1041 A N -0.184 122.581 122.820 -0.091 0.000 2.475 1041 A HA 0.686 5.006 4.320 0.000 0.000 0.239 1041 A C 1.468 179.061 177.584 0.014 0.000 1.087 1041 A CA 1.059 53.105 52.037 0.015 0.000 0.779 1041 A CB -0.002 19.034 19.000 0.061 0.000 1.036 1041 A HN 2.416 nan 8.150 nan 0.000 0.506 1042 G N -0.797 108.029 108.800 0.042 0.000 2.554 1042 G HA2 0.403 4.363 3.960 0.000 0.000 0.238 1042 G HA3 0.403 4.363 3.960 0.000 0.000 0.238 1042 G C 0.303 175.224 174.900 0.035 0.000 1.259 1042 G CA 0.591 45.717 45.100 0.043 0.000 0.843 1042 G HN 0.996 nan 8.290 nan 0.000 0.582 1043 E N -0.469 119.750 120.200 0.031 0.000 3.916 1043 E HA -0.304 4.046 4.350 0.000 0.000 0.331 1043 E C 1.899 178.511 176.600 0.020 0.000 0.729 1043 E CA 1.426 57.843 56.400 0.028 0.000 1.222 1043 E CB -1.877 27.843 29.700 0.034 0.000 1.633 1043 E HN 0.829 nan 8.360 nan 0.000 0.437 1044 S N -0.702 115.003 115.700 0.009 0.000 2.481 1044 S HA 0.184 4.654 4.470 0.000 0.000 0.231 1044 S C 1.622 176.225 174.600 0.005 0.000 0.996 1044 S CA 1.563 59.761 58.200 -0.003 0.000 0.942 1044 S CB 0.546 63.717 63.200 -0.048 0.000 0.768 1044 S HN 1.034 nan 8.310 nan 0.000 0.520 1045 G N 0.705 109.510 108.800 0.008 0.000 2.205 1045 G HA2 -0.152 3.808 3.960 0.000 0.000 0.180 1045 G HA3 -0.152 3.808 3.960 0.000 0.000 0.180 1045 G C -0.273 174.641 174.900 0.023 0.000 1.004 1045 G CA -0.417 44.693 45.100 0.017 0.000 0.670 1045 G HN 0.527 nan 8.290 nan 0.000 0.496 1046 K N 1.020 121.427 120.400 0.012 0.000 2.220 1046 K HA 0.605 4.925 4.320 0.000 0.000 0.283 1046 K C 0.747 177.357 176.600 0.017 0.000 1.098 1046 K CA 0.483 56.779 56.287 0.015 0.000 0.928 1046 K CB 1.092 33.596 32.500 0.006 0.000 1.214 1046 K HN 0.349 nan 8.250 nan 0.000 0.442 1047 S N 1.033 116.740 115.700 0.013 0.000 4.966 1047 S HA -0.137 4.333 4.470 0.000 0.000 0.077 1047 S C 1.353 175.948 174.600 -0.008 0.000 1.005 1047 S CA 0.432 58.637 58.200 0.009 0.000 1.357 1047 S CB -0.691 62.517 63.200 0.013 0.000 1.106 1047 S HN 0.521 nan 8.310 nan 0.000 0.393 1048 T N 3.481 118.024 114.554 -0.019 0.000 2.821 1048 T HA 0.134 4.484 4.350 0.000 0.000 0.267 1048 T C 1.743 176.417 174.700 -0.042 0.000 1.046 1048 T CA 1.442 63.514 62.100 -0.046 0.000 1.139 1048 T CB -0.231 68.607 68.868 -0.051 0.000 0.871 1048 T HN 0.397 nan 8.240 nan 0.000 0.454 1049 I N 1.093 121.658 120.570 -0.009 0.000 2.252 1049 I HA -0.081 4.089 4.170 0.000 0.000 0.245 1049 I C 2.535 178.618 176.117 -0.057 0.000 1.102 1049 I CA 0.977 62.275 61.300 -0.003 0.000 1.385 1049 I CB -1.252 36.798 38.000 0.082 0.000 1.064 1049 I HN 0.117 nan 8.210 nan 0.000 0.414 1050 V N 1.195 121.090 119.914 -0.031 0.000 2.343 1050 V HA -0.270 3.850 4.120 0.000 0.000 0.247 1050 V C 2.452 178.513 176.094 -0.056 0.000 1.051 1050 V CA 1.708 63.986 62.300 -0.038 0.000 1.036 1050 V CB -0.677 31.142 31.823 -0.006 0.000 0.654 1050 V HN 0.403 nan 8.190 nan 0.000 0.451 1051 K N -0.715 119.667 120.400 -0.030 0.000 2.211 1051 K HA -0.130 4.190 4.320 0.000 0.000 0.203 1051 K C 2.261 178.835 176.600 -0.042 0.000 1.050 1051 K CA 0.794 57.086 56.287 0.009 0.000 0.945 1051 K CB -0.121 32.382 32.500 0.005 0.000 0.732 1051 K HN 0.427 nan 8.250 nan 0.000 0.451 1052 Q N 0.038 119.767 119.800 -0.118 0.000 2.123 1052 Q HA -0.019 4.321 4.340 0.000 0.000 0.199 1052 Q C 2.105 177.911 176.000 -0.325 0.000 0.966 1052 Q CA 0.949 56.640 55.803 -0.187 0.000 0.845 1052 Q CB 0.006 28.637 28.738 -0.179 0.000 0.907 1052 Q HN 0.308 nan 8.270 nan 0.000 0.439 1053 M N 0.732 120.098 119.600 -0.390 0.000 2.108 1053 M HA -0.184 4.296 4.480 0.000 0.000 0.261 1053 M C 2.084 178.063 176.300 -0.535 0.000 1.066 1053 M CA 1.483 56.388 55.300 -0.657 0.000 1.107 1053 M CB -0.944 31.266 32.600 -0.649 0.000 1.356 1053 M HN 0.125 nan 8.290 nan 0.000 0.406 1054 K N 0.536 120.759 120.400 -0.295 0.000 2.057 1054 K HA -0.116 4.204 4.320 0.000 0.000 0.207 1054 K C 1.874 178.325 176.600 -0.249 0.000 1.049 1054 K CA 1.220 57.369 56.287 -0.230 0.000 0.931 1054 K CB -0.101 32.280 32.500 -0.198 0.000 0.714 1054 K HN 0.268 nan 8.250 nan 0.000 0.440 1055 I N 0.759 121.211 120.570 -0.195 0.000 2.394 1055 I HA -0.251 3.919 4.170 0.000 0.000 0.251 1055 I C 2.042 178.003 176.117 -0.260 0.000 1.136 1055 I CA 1.087 62.296 61.300 -0.152 0.000 1.425 1055 I CB -0.081 37.877 38.000 -0.070 0.000 1.079 1055 I HN 0.207 nan 8.210 nan 0.000 0.425 1056 I N -0.607 119.699 120.570 -0.441 0.000 2.628 1056 I HA -0.147 4.023 4.170 0.000 0.000 0.255 1056 I C 1.279 176.930 176.117 -0.777 0.000 1.119 1056 I CA 1.043 61.944 61.300 -0.665 0.000 1.448 1056 I CB -0.129 37.288 38.000 -0.973 0.000 1.133 1056 I HN 0.200 nan 8.210 nan 0.000 0.438 1057 H N 0.067 118.866 119.070 -0.451 0.000 2.581 1057 H HA 0.369 4.925 4.556 0.000 0.000 0.275 1057 H C -0.262 174.985 175.328 -0.135 0.000 1.126 1057 H CA -0.210 55.643 56.048 -0.324 0.000 1.097 1057 H CB 0.501 29.938 29.762 -0.541 0.000 1.626 1057 H HN 0.265 nan 8.280 nan 0.000 0.565 1058 E N -0.406 119.740 120.200 -0.090 0.000 2.437 1058 E HA 0.547 4.897 4.350 0.000 0.000 0.253 1058 E C 0.702 177.255 176.600 -0.077 0.000 0.905 1058 E CA -0.471 55.908 56.400 -0.034 0.000 0.871 1058 E CB 0.973 30.642 29.700 -0.051 0.000 1.649 1058 E HN 0.082 nan 8.360 nan 0.000 0.422 1059 A N 0.412 123.183 122.820 -0.082 0.000 1.892 1059 A HA 0.060 4.380 4.320 0.000 0.000 0.218 1059 A C 1.226 178.729 177.584 -0.136 0.000 1.188 1059 A CA 2.457 54.438 52.037 -0.093 0.000 0.631 1059 A CB -1.103 17.840 19.000 -0.096 0.000 0.822 1059 A HN 0.870 nan 8.150 nan 0.000 0.447 1060 G N -2.744 105.911 108.800 -0.240 0.000 2.464 1060 G HA2 -0.068 3.892 3.960 0.000 0.000 0.216 1060 G HA3 -0.068 3.892 3.960 0.000 0.000 0.216 1060 G C -0.510 174.114 174.900 -0.461 0.000 1.186 1060 G CA -0.146 44.801 45.100 -0.255 0.000 1.010 1060 G HN 0.726 nan 8.290 nan 0.000 0.585 1061 Y N 1.605 121.875 120.300 -0.049 0.000 2.332 1061 Y HA 0.601 5.151 4.550 0.000 0.000 0.326 1061 Y C 0.873 176.761 175.900 -0.020 0.000 0.978 1061 Y CA -0.085 57.998 58.100 -0.029 0.000 1.205 1061 Y CB 1.963 40.389 38.460 -0.056 0.000 1.131 1061 Y HN 0.889 nan 8.280 nan 0.000 0.462 1062 S N 0.870 116.625 115.700 0.091 0.000 2.592 1062 S HA 0.071 4.541 4.470 0.000 0.000 0.271 1062 S C 1.261 175.901 174.600 0.067 0.000 1.326 1062 S CA -0.473 57.760 58.200 0.055 0.000 1.024 1062 S CB 1.433 64.648 63.200 0.026 0.000 0.921 1062 S HN 0.902 nan 8.310 nan 0.000 0.527 1063 E N 0.950 121.171 120.200 0.034 0.000 2.169 1063 E HA -0.316 4.034 4.350 0.000 0.000 0.202 1063 E C 1.774 178.384 176.600 0.017 0.000 1.016 1063 E CA 1.862 58.271 56.400 0.016 0.000 0.817 1063 E CB -0.162 29.539 29.700 0.001 0.000 0.736 1063 E HN 0.908 nan 8.360 nan 0.000 0.462 1064 E N 0.027 120.241 120.200 0.022 0.000 2.072 1064 E HA -0.203 4.147 4.350 0.000 0.000 0.191 1064 E C 1.944 178.568 176.600 0.040 0.000 0.985 1064 E CA 1.159 57.569 56.400 0.018 0.000 0.801 1064 E CB 0.064 29.771 29.700 0.012 0.000 0.750 1064 E HN 0.346 nan 8.360 nan 0.000 0.452 1065 E N -0.088 120.161 120.200 0.081 0.000 2.077 1065 E HA -0.199 4.151 4.350 0.000 0.000 0.193 1065 E C 2.309 179.042 176.600 0.222 0.000 0.989 1065 E CA 1.209 57.700 56.400 0.152 0.000 0.800 1065 E CB -0.155 29.679 29.700 0.224 0.000 0.746 1065 E HN 0.377 nan 8.360 nan 0.000 0.452 1066 C N 1.271 120.682 119.300 0.184 0.000 2.398 1066 C HA -0.163 4.298 4.460 0.000 0.000 0.276 1066 C C 2.383 177.416 174.990 0.071 0.000 1.222 1066 C CA 0.874 59.973 59.018 0.134 0.000 1.746 1066 C CB -0.726 27.019 27.740 0.009 0.000 2.039 1066 C HN 0.415 nan 8.230 nan 0.000 0.470 1067 K N 0.085 120.482 120.400 -0.005 0.000 2.228 1067 K HA -0.219 4.101 4.320 0.000 0.000 0.205 1067 K C 2.071 178.641 176.600 -0.050 0.000 1.045 1067 K CA 1.228 57.480 56.287 -0.058 0.000 0.931 1067 K CB -0.226 32.248 32.500 -0.044 0.000 0.727 1067 K HN 0.549 nan 8.250 nan 0.000 0.458 1068 Q N -0.370 119.408 119.800 -0.037 0.000 2.224 1068 Q HA -0.110 4.230 4.340 0.000 0.000 0.203 1068 Q C 1.352 177.208 176.000 -0.239 0.000 0.970 1068 Q CA 1.395 57.112 55.803 -0.143 0.000 0.865 1068 Q CB -0.068 28.547 28.738 -0.206 0.000 0.922 1068 Q HN 0.518 nan 8.270 nan 0.000 0.445 1069 Y N 0.328 120.579 120.300 -0.083 0.000 2.490 1069 Y HA 0.020 4.570 4.550 0.000 0.000 0.281 1069 Y C 2.157 177.966 175.900 -0.152 0.000 1.174 1069 Y CA 0.286 58.326 58.100 -0.100 0.000 1.295 1069 Y CB 0.112 38.508 38.460 -0.105 0.000 1.062 1069 Y HN 0.021 nan 8.280 nan 0.000 0.522 1070 K N 0.863 121.210 120.400 -0.089 0.000 2.026 1070 K HA -0.210 4.110 4.320 0.000 0.000 0.208 1070 K C 2.303 178.690 176.600 -0.355 0.000 1.048 1070 K CA 1.336 57.475 56.287 -0.248 0.000 0.929 1070 K CB -0.209 32.169 32.500 -0.205 0.000 0.713 1070 K HN 0.257 nan 8.250 nan 0.000 0.439 1071 A N 0.655 123.386 122.820 -0.147 0.000 1.883 1071 A HA -0.146 4.174 4.320 0.000 0.000 0.217 1071 A C 2.264 179.815 177.584 -0.053 0.000 1.186 1071 A CA 1.796 53.805 52.037 -0.047 0.000 0.624 1071 A CB -0.898 18.096 19.000 -0.010 0.000 0.822 1071 A HN 0.271 nan 8.150 nan 0.000 0.444 1072 V N -0.378 119.499 119.914 -0.062 0.000 2.515 1072 V HA -0.157 3.964 4.120 0.000 0.000 0.250 1072 V C 2.388 178.425 176.094 -0.094 0.000 1.058 1072 V CA 2.117 64.400 62.300 -0.028 0.000 1.064 1072 V CB -0.299 31.551 31.823 0.044 0.000 0.675 1072 V HN 0.319 nan 8.190 nan 0.000 0.461 1073 V N -0.254 119.544 119.914 -0.193 0.000 2.295 1073 V HA -0.241 3.879 4.120 0.000 0.000 0.246 1073 V C 2.312 178.177 176.094 -0.382 0.000 1.049 1073 V CA 2.487 64.523 62.300 -0.440 0.000 1.024 1073 V CB -0.879 30.702 31.823 -0.403 0.000 0.648 1073 V HN 0.622 nan 8.190 nan 0.000 0.447 1074 Y N 0.087 120.265 120.300 -0.202 0.000 2.200 1074 Y HA -0.150 4.400 4.550 0.000 0.000 0.290 1074 Y C 2.942 178.744 175.900 -0.163 0.000 1.137 1074 Y CA 1.172 59.156 58.100 -0.193 0.000 1.163 1074 Y CB -1.273 37.112 38.460 -0.124 0.000 0.988 1074 Y HN 0.243 nan 8.280 nan 0.000 0.518 1075 S N 0.065 115.791 115.700 0.043 0.000 2.356 1075 S HA -0.215 4.255 4.470 0.000 0.000 0.223 1075 S C 1.861 176.450 174.600 -0.018 0.000 1.032 1075 S CA 1.738 59.944 58.200 0.009 0.000 1.005 1075 S CB -0.535 62.674 63.200 0.014 0.000 0.867 1075 S HN 0.625 nan 8.310 nan 0.000 0.449 1076 N N -0.255 118.417 118.700 -0.046 0.000 2.104 1076 N HA -0.094 4.646 4.740 0.000 0.000 0.190 1076 N C 1.699 177.199 175.510 -0.016 0.000 1.024 1076 N CA 1.787 54.830 53.050 -0.013 0.000 0.853 1076 N CB -0.288 38.201 38.487 0.003 0.000 1.008 1076 N HN 0.390 nan 8.380 nan 0.000 0.424 1077 T N 1.272 115.763 114.554 -0.106 0.000 2.746 1077 T HA -0.062 4.288 4.350 0.000 0.000 0.267 1077 T C 1.964 176.609 174.700 -0.091 0.000 1.039 1077 T CA 0.820 62.865 62.100 -0.091 0.000 1.142 1077 T CB -0.176 68.605 68.868 -0.144 0.000 0.866 1077 T HN 0.191 nan 8.240 nan 0.000 0.444 1078 I N 0.983 121.501 120.570 -0.087 0.000 2.202 1078 I HA -0.191 3.979 4.170 0.000 0.000 0.242 1078 I C 2.767 178.833 176.117 -0.084 0.000 1.091 1078 I CA 1.306 62.541 61.300 -0.108 0.000 1.368 1078 I CB -0.446 37.490 38.000 -0.107 0.000 1.058 1078 I HN 0.280 nan 8.210 nan 0.000 0.410 1079 Q N 0.223 120.001 119.800 -0.037 0.000 2.181 1079 Q HA -0.165 4.175 4.340 0.000 0.000 0.205 1079 Q C 2.394 178.408 176.000 0.023 0.000 0.980 1079 Q CA 1.762 57.566 55.803 0.001 0.000 0.862 1079 Q CB -0.132 28.625 28.738 0.030 0.000 0.905 1079 Q HN 0.432 nan 8.270 nan 0.000 0.429 1080 S N 0.768 116.479 115.700 0.018 0.000 2.338 1080 S HA -0.129 4.341 4.470 0.000 0.000 0.218 1080 S C 1.868 176.490 174.600 0.037 0.000 1.032 1080 S CA 0.933 59.159 58.200 0.043 0.000 0.999 1080 S CB -0.240 62.971 63.200 0.017 0.000 0.905 1080 S HN 0.269 nan 8.310 nan 0.000 0.439 1081 I N 2.016 122.566 120.570 -0.032 0.000 2.361 1081 I HA -0.100 4.070 4.170 0.000 0.000 0.251 1081 I C 1.802 177.931 176.117 0.019 0.000 1.133 1081 I CA 1.025 62.322 61.300 -0.005 0.000 1.413 1081 I CB -0.368 37.595 38.000 -0.060 0.000 1.073 1081 I HN 0.269 nan 8.210 nan 0.000 0.424 1082 I N 0.135 120.680 120.570 -0.042 0.000 2.252 1082 I HA -0.280 3.890 4.170 0.000 0.000 0.245 1082 I C 2.558 178.721 176.117 0.077 0.000 1.102 1082 I CA 1.244 62.516 61.300 -0.047 0.000 1.385 1082 I CB -0.556 37.373 38.000 -0.119 0.000 1.064 1082 I HN 0.279 nan 8.210 nan 0.000 0.414 1083 A N 1.044 123.919 122.820 0.091 0.000 1.908 1083 A HA -0.201 4.119 4.320 0.000 0.000 0.218 1083 A C 2.249 179.881 177.584 0.080 0.000 1.181 1083 A CA 1.576 53.683 52.037 0.117 0.000 0.627 1083 A CB -0.825 18.281 19.000 0.176 0.000 0.818 1083 A HN 0.408 nan 8.150 nan 0.000 0.445 1084 I N -0.054 120.608 120.570 0.153 0.000 2.252 1084 I HA -0.219 3.951 4.170 0.000 0.000 0.245 1084 I C 2.149 178.289 176.117 0.038 0.000 1.102 1084 I CA 0.775 62.167 61.300 0.154 0.000 1.385 1084 I CB -0.310 37.883 38.000 0.323 0.000 1.064 1084 I HN 0.251 nan 8.210 nan 0.000 0.414 1085 I N 0.839 121.466 120.570 0.096 0.000 2.179 1085 I HA -0.256 3.915 4.170 0.000 0.000 0.242 1085 I C 2.642 178.793 176.117 0.057 0.000 1.088 1085 I CA 1.655 63.028 61.300 0.121 0.000 1.357 1085 I CB -1.250 36.886 38.000 0.226 0.000 1.051 1085 I HN 0.282 nan 8.210 nan 0.000 0.409 1086 R N 0.693 121.229 120.500 0.060 0.000 2.120 1086 R HA -0.108 4.233 4.340 0.000 0.000 0.234 1086 R C 2.286 178.512 176.300 -0.124 0.000 1.123 1086 R CA 1.432 57.537 56.100 0.008 0.000 0.975 1086 R CB -0.328 29.996 30.300 0.040 0.000 0.866 1086 R HN 0.372 nan 8.270 nan 0.000 0.446 1087 A N 0.841 123.490 122.820 -0.285 0.000 1.968 1087 A HA -0.101 4.219 4.320 0.000 0.000 0.217 1087 A C 2.109 179.517 177.584 -0.293 0.000 1.169 1087 A CA 0.951 52.685 52.037 -0.504 0.000 0.638 1087 A CB -0.295 17.865 19.000 -1.399 0.000 0.812 1087 A HN 0.173 nan 8.150 nan 0.000 0.446 1088 M N -0.560 118.913 119.600 -0.212 0.000 2.159 1088 M HA -0.103 4.377 4.480 0.000 0.000 0.263 1088 M C 2.261 178.467 176.300 -0.157 0.000 1.063 1088 M CA 1.388 56.576 55.300 -0.187 0.000 1.110 1088 M CB -0.476 31.968 32.600 -0.260 0.000 1.374 1088 M HN 0.516 nan 8.290 nan 0.000 0.411 1089 G N 0.184 108.911 108.800 -0.122 0.000 2.404 1089 G HA2 -0.172 3.788 3.960 0.000 0.000 0.215 1089 G HA3 -0.172 3.788 3.960 0.000 0.000 0.215 1089 G C 1.640 176.498 174.900 -0.072 0.000 1.174 1089 G CA 0.461 45.511 45.100 -0.083 0.000 0.780 1089 G HN 0.370 nan 8.290 nan 0.000 0.537 1090 R N -0.232 120.221 120.500 -0.079 0.000 2.092 1090 R HA 0.154 4.494 4.340 0.000 0.000 0.231 1090 R C 2.292 178.563 176.300 -0.048 0.000 1.119 1090 R CA 0.650 56.716 56.100 -0.057 0.000 0.970 1090 R CB -0.308 29.958 30.300 -0.058 0.000 0.864 1090 R HN 0.315 nan 8.270 nan 0.000 0.440 1091 L N 0.736 121.921 121.223 -0.064 0.000 2.591 1091 L HA 0.099 4.439 4.340 0.000 0.000 0.228 1091 L C -0.027 176.818 176.870 -0.042 0.000 1.133 1091 L CA 0.165 54.983 54.840 -0.037 0.000 0.880 1091 L CB -0.159 41.887 42.059 -0.022 0.000 1.033 1091 L HN 0.130 nan 8.230 nan 0.000 0.450 1092 K N 1.235 121.600 120.400 -0.059 0.000 3.393 1092 K HA -0.154 4.166 4.320 0.000 0.000 0.272 1092 K C -0.507 176.050 176.600 -0.071 0.000 1.004 1092 K CA 0.487 56.739 56.287 -0.059 0.000 0.764 1092 K CB -1.594 30.884 32.500 -0.036 0.000 1.373 1092 K HN 0.304 nan 8.250 nan 0.000 0.458 1093 I N 1.174 121.678 120.570 -0.110 0.000 2.354 1093 I HA 0.189 4.359 4.170 0.000 0.000 0.292 1093 I C 0.503 176.495 176.117 -0.208 0.000 0.989 1093 I CA -0.819 60.406 61.300 -0.125 0.000 1.188 1093 I CB 1.308 39.240 38.000 -0.113 0.000 1.342 1093 I HN 0.070 nan 8.210 nan 0.000 0.457 1094 D N 5.353 125.666 120.400 -0.145 0.000 2.283 1094 D HA 0.278 4.918 4.640 0.000 0.000 0.248 1094 D C -0.298 175.917 176.300 -0.140 0.000 1.072 1094 D CA -0.058 53.858 54.000 -0.141 0.000 0.929 1094 D CB 1.203 41.989 40.800 -0.024 0.000 1.182 1094 D HN 0.066 nan 8.370 nan 0.000 0.433 1095 F N 0.285 120.245 119.950 0.017 0.000 2.506 1095 F HA 0.180 4.707 4.527 0.000 0.000 0.351 1095 F C 1.932 177.737 175.800 0.009 0.000 1.136 1095 F CA -0.107 57.903 58.000 0.017 0.000 1.298 1095 F CB 0.584 39.595 39.000 0.018 0.000 1.145 1095 F HN 0.408 nan 8.300 nan 0.000 0.593 1096 G N 0.409 109.335 108.800 0.210 0.000 2.471 1096 G HA2 -0.099 3.861 3.960 0.000 0.000 0.219 1096 G HA3 -0.099 3.861 3.960 0.000 0.000 0.219 1096 G C -0.282 174.675 174.900 0.095 0.000 1.125 1096 G CA 0.524 45.689 45.100 0.108 0.000 0.775 1096 G HN 0.506 nan 8.290 nan 0.000 0.548 1097 D N -1.474 118.996 120.400 0.117 0.000 2.620 1097 D HA 0.344 4.984 4.640 0.000 0.000 0.252 1097 D C 0.730 177.056 176.300 0.043 0.000 1.207 1097 D CA -0.440 53.593 54.000 0.054 0.000 0.884 1097 D CB 1.706 42.512 40.800 0.009 0.000 1.262 1097 D HN -0.090 nan 8.370 nan 0.000 0.552 1098 S N 1.883 117.610 115.700 0.046 0.000 2.441 1098 S HA -0.248 4.222 4.470 0.000 0.000 0.242 1098 S C 1.799 176.370 174.600 -0.049 0.000 1.018 1098 S CA 1.746 59.967 58.200 0.035 0.000 0.988 1098 S CB 0.080 63.300 63.200 0.033 0.000 0.778 1098 S HN 0.547 nan 8.310 nan 0.000 0.498 1099 A N 1.497 124.274 122.820 -0.071 0.000 2.066 1099 A HA 0.047 4.367 4.320 0.000 0.000 0.218 1099 A C 2.109 179.571 177.584 -0.203 0.000 1.157 1099 A CA 0.661 52.636 52.037 -0.103 0.000 0.670 1099 A CB -0.386 18.571 19.000 -0.071 0.000 0.804 1099 A HN 0.429 nan 8.150 nan 0.000 0.453 1100 R N -0.036 120.276 120.500 -0.314 0.000 2.193 1100 R HA -0.050 4.290 4.340 0.000 0.000 0.229 1100 R C 2.184 177.942 176.300 -0.904 0.000 1.110 1100 R CA 1.150 56.912 56.100 -0.563 0.000 0.988 1100 R CB -1.067 28.854 30.300 -0.632 0.000 0.871 1100 R HN 0.544 nan 8.270 nan 0.000 0.458 1101 A N 1.437 123.779 122.820 -0.796 0.000 1.933 1101 A HA -0.160 4.160 4.320 0.000 0.000 0.218 1101 A C 1.658 179.119 177.584 -0.205 0.000 1.175 1101 A CA 1.559 53.305 52.037 -0.484 0.000 0.628 1101 A CB -0.212 18.735 19.000 -0.089 0.000 0.814 1101 A HN 0.160 nan 8.150 nan 0.000 0.444 1102 D N 0.358 120.659 120.400 -0.164 0.000 2.117 1102 D HA -0.126 4.514 4.640 0.000 0.000 0.198 1102 D C 1.238 177.491 176.300 -0.078 0.000 0.982 1102 D CA 1.346 55.297 54.000 -0.083 0.000 0.828 1102 D CB -0.401 40.358 40.800 -0.069 0.000 0.967 1102 D HN 0.409 nan 8.370 nan 0.000 0.464 1103 D N 1.003 121.324 120.400 -0.131 0.000 2.117 1103 D HA -0.122 4.519 4.640 0.000 0.000 0.197 1103 D C 2.072 178.337 176.300 -0.058 0.000 0.987 1103 D CA 1.122 55.062 54.000 -0.100 0.000 0.829 1103 D CB -0.194 40.529 40.800 -0.128 0.000 0.961 1103 D HN 0.113 nan 8.370 nan 0.000 0.460 1104 A N 1.340 124.115 122.820 -0.074 0.000 1.883 1104 A HA -0.213 4.107 4.320 0.000 0.000 0.217 1104 A C 2.231 179.945 177.584 0.216 0.000 1.186 1104 A CA 1.398 53.486 52.037 0.085 0.000 0.624 1104 A CB -0.506 18.608 19.000 0.190 0.000 0.822 1104 A HN 0.115 nan 8.150 nan 0.000 0.444 1105 R N -1.076 119.519 120.500 0.158 0.000 2.081 1105 R HA -0.163 4.177 4.340 0.000 0.000 0.235 1105 R C 2.577 178.983 176.300 0.177 0.000 1.131 1105 R CA 1.586 57.799 56.100 0.188 0.000 0.960 1105 R CB -0.316 30.032 30.300 0.081 0.000 0.856 1105 R HN 0.791 nan 8.270 nan 0.000 0.436 1106 Q N 0.818 120.667 119.800 0.081 0.000 2.096 1106 Q HA -0.200 4.141 4.340 0.000 0.000 0.204 1106 Q C 2.113 178.134 176.000 0.035 0.000 0.982 1106 Q CA 1.362 57.191 55.803 0.043 0.000 0.850 1106 Q CB -0.094 28.642 28.738 -0.003 0.000 0.901 1106 Q HN 0.197 nan 8.270 nan 0.000 0.422 1107 L N 0.291 121.515 121.223 0.002 0.000 1.997 1107 L HA -0.224 4.116 4.340 0.000 0.000 0.216 1107 L C 1.883 178.672 176.870 -0.136 0.000 1.074 1107 L CA 1.996 56.767 54.840 -0.116 0.000 0.763 1107 L CB -0.884 41.039 42.059 -0.227 0.000 0.890 1107 L HN 0.283 nan 8.230 nan 0.000 0.434 1108 F N -1.333 118.615 119.950 -0.004 0.000 2.161 1108 F HA -0.204 4.323 4.527 0.000 0.000 0.300 1108 F C 2.335 178.131 175.800 -0.005 0.000 1.089 1108 F CA 1.561 59.561 58.000 0.000 0.000 1.282 1108 F CB -0.879 38.127 39.000 0.009 0.000 1.010 1108 F HN -0.043 nan 8.300 nan 0.000 0.485 1109 V N 0.062 120.072 119.914 0.160 0.000 2.283 1109 V HA -0.260 3.860 4.120 0.000 0.000 0.243 1109 V C 2.359 178.474 176.094 0.035 0.000 1.039 1109 V CA 1.559 63.910 62.300 0.085 0.000 1.016 1109 V CB -0.700 31.158 31.823 0.059 0.000 0.650 1109 V HN 0.263 nan 8.190 nan 0.000 0.449 1110 L N 0.281 121.505 121.223 0.002 0.000 2.012 1110 L HA -0.209 4.131 4.340 0.000 0.000 0.210 1110 L C 2.785 179.627 176.870 -0.046 0.000 1.073 1110 L CA 1.810 56.630 54.840 -0.034 0.000 0.748 1110 L CB -0.939 41.080 42.059 -0.068 0.000 0.891 1110 L HN 0.374 nan 8.230 nan 0.000 0.431 1111 A N 0.361 123.144 122.820 -0.062 0.000 1.908 1111 A HA -0.175 4.145 4.320 0.000 0.000 0.218 1111 A C 2.325 179.899 177.584 -0.015 0.000 1.181 1111 A CA 1.921 53.917 52.037 -0.067 0.000 0.627 1111 A CB -1.297 17.637 19.000 -0.111 0.000 0.818 1111 A HN 0.483 nan 8.150 nan 0.000 0.445 1112 G N -1.706 107.107 108.800 0.020 0.000 2.598 1112 G HA2 0.220 4.180 3.960 0.000 0.000 0.215 1112 G HA3 0.220 4.180 3.960 0.000 0.000 0.215 1112 G C 1.155 176.072 174.900 0.028 0.000 1.131 1112 G CA 1.074 46.198 45.100 0.039 0.000 0.785 1112 G HN 0.862 nan 8.290 nan 0.000 0.539 1113 A N -0.468 122.361 122.820 0.016 0.000 2.324 1113 A HA 0.783 5.103 4.320 0.000 0.000 0.220 1113 A C 1.473 179.067 177.584 0.017 0.000 1.209 1113 A CA 0.807 52.854 52.037 0.018 0.000 0.918 1113 A CB 0.050 19.059 19.000 0.015 0.000 0.959 1113 A HN 0.598 nan 8.150 nan 0.000 0.507 1114 A N 0.460 123.279 122.820 -0.002 0.000 2.429 1114 A HA 0.440 4.760 4.320 0.000 0.000 0.242 1114 A C -0.073 177.537 177.584 0.043 0.000 1.088 1114 A CA 0.087 52.120 52.037 -0.006 0.000 0.784 1114 A CB 0.034 18.997 19.000 -0.062 0.000 1.038 1114 A HN 0.477 nan 8.150 nan 0.000 0.501 1115 E N 0.867 121.124 120.200 0.094 0.000 2.155 1115 E HA 0.242 4.592 4.350 0.000 0.000 0.264 1115 E C -0.988 175.707 176.600 0.158 0.000 0.886 1115 E CA -0.497 55.981 56.400 0.130 0.000 0.752 1115 E CB 1.333 31.137 29.700 0.173 0.000 1.133 1115 E HN 0.700 nan 8.360 nan 0.000 0.414 1116 E N 0.983 121.254 120.200 0.117 0.000 2.653 1116 E HA -0.040 4.310 4.350 0.000 0.000 0.264 1116 E C 0.908 177.619 176.600 0.185 0.000 0.949 1116 E CA 1.058 57.537 56.400 0.132 0.000 0.953 1116 E CB 0.291 30.037 29.700 0.077 0.000 0.925 1116 E HN 0.928 nan 8.360 nan 0.000 0.475 1117 G N 2.487 111.439 108.800 0.253 0.000 2.176 1117 G HA2 -0.299 3.661 3.960 0.000 0.000 0.253 1117 G HA3 -0.299 3.661 3.960 0.000 0.000 0.253 1117 G C -0.377 174.827 174.900 0.506 0.000 0.979 1117 G CA 0.206 45.470 45.100 0.273 0.000 0.641 1117 G HN 0.461 nan 8.290 nan 0.000 0.530 1118 F N 0.095 120.224 119.950 0.298 0.000 2.604 1118 F HA 0.747 5.274 4.527 0.000 0.000 0.316 1118 F C -0.769 174.957 175.800 -0.123 0.000 1.136 1118 F CA -1.500 56.588 58.000 0.146 0.000 0.989 1118 F CB 1.535 40.577 39.000 0.069 0.000 1.258 1118 F HN 0.106 nan 8.300 nan 0.000 0.451 1119 M N 6.469 125.364 119.600 -1.175 0.000 2.181 1119 M HA 0.369 4.849 4.480 0.000 0.000 0.323 1119 M C -0.500 175.027 176.300 -1.287 0.000 1.004 1119 M CA -0.533 54.067 55.300 -1.167 0.000 0.941 1119 M CB 1.509 33.393 32.600 -1.192 0.000 1.579 1119 M HN 0.843 nan 8.290 nan 0.000 0.427 1120 T N 2.161 116.136 114.554 -0.964 0.000 2.900 1120 T HA 0.358 4.708 4.350 0.000 0.000 0.307 1120 T C 1.183 175.680 174.700 -0.339 0.000 1.065 1120 T CA -0.034 61.720 62.100 -0.576 0.000 1.105 1120 T CB 1.222 69.939 68.868 -0.251 0.000 0.979 1120 T HN 0.785 nan 8.240 nan 0.000 0.544 1121 A N 1.170 123.884 122.820 -0.177 0.000 1.948 1121 A HA -0.147 4.173 4.320 0.000 0.000 0.220 1121 A C 2.303 179.816 177.584 -0.118 0.000 1.177 1121 A CA 2.041 54.007 52.037 -0.119 0.000 0.636 1121 A CB -1.078 17.894 19.000 -0.045 0.000 0.815 1121 A HN 1.047 nan 8.150 nan 0.000 0.449 1122 E N -0.813 119.324 120.200 -0.105 0.000 2.106 1122 E HA -0.168 4.182 4.350 0.000 0.000 0.192 1122 E C 1.892 178.422 176.600 -0.117 0.000 0.984 1122 E CA 1.137 57.483 56.400 -0.090 0.000 0.806 1122 E CB -0.164 29.496 29.700 -0.066 0.000 0.750 1122 E HN 0.455 nan 8.360 nan 0.000 0.458 1123 L N 0.988 122.113 121.223 -0.163 0.000 2.046 1123 L HA -0.069 4.271 4.340 0.000 0.000 0.208 1123 L C 2.250 179.008 176.870 -0.187 0.000 1.077 1123 L CA 2.212 56.942 54.840 -0.183 0.000 0.747 1123 L CB -0.949 40.964 42.059 -0.244 0.000 0.896 1123 L HN 0.155 nan 8.230 nan 0.000 0.432 1124 A N -0.396 122.294 122.820 -0.217 0.000 1.883 1124 A HA -0.133 4.187 4.320 0.000 0.000 0.217 1124 A C 2.362 179.871 177.584 -0.125 0.000 1.186 1124 A CA 1.810 53.731 52.037 -0.193 0.000 0.624 1124 A CB -1.652 17.228 19.000 -0.200 0.000 0.822 1124 A HN 0.543 nan 8.150 nan 0.000 0.444 1125 G N -0.749 107.989 108.800 -0.104 0.000 2.418 1125 G HA2 -0.106 3.854 3.960 0.000 0.000 0.217 1125 G HA3 -0.106 3.854 3.960 0.000 0.000 0.217 1125 G C 1.521 176.385 174.900 -0.060 0.000 1.158 1125 G CA 1.229 46.287 45.100 -0.070 0.000 0.771 1125 G HN 0.330 nan 8.290 nan 0.000 0.545 1126 V N 1.219 121.089 119.914 -0.074 0.000 2.295 1126 V HA -0.165 3.955 4.120 0.000 0.000 0.246 1126 V C 2.807 178.869 176.094 -0.054 0.000 1.049 1126 V CA 1.641 63.901 62.300 -0.066 0.000 1.024 1126 V CB -0.397 31.379 31.823 -0.078 0.000 0.648 1126 V HN 0.403 nan 8.190 nan 0.000 0.447 1127 I N -0.267 120.259 120.570 -0.073 0.000 2.208 1127 I HA -0.270 3.900 4.170 0.000 0.000 0.245 1127 I C 2.578 178.705 176.117 0.016 0.000 1.097 1127 I CA 1.617 62.884 61.300 -0.055 0.000 1.363 1127 I CB -0.395 37.537 38.000 -0.113 0.000 1.051 1127 I HN 0.244 nan 8.210 nan 0.000 0.413 1128 K N 1.375 121.777 120.400 0.003 0.000 2.032 1128 K HA -0.158 4.162 4.320 0.000 0.000 0.209 1128 K C 2.178 178.823 176.600 0.075 0.000 1.048 1128 K CA 1.590 57.911 56.287 0.057 0.000 0.927 1128 K CB -0.161 32.346 32.500 0.010 0.000 0.712 1128 K HN 0.138 nan 8.250 nan 0.000 0.441 1129 R N -0.075 120.439 120.500 0.025 0.000 2.091 1129 R HA -0.095 4.245 4.340 0.000 0.000 0.238 1129 R C 2.392 178.714 176.300 0.037 0.000 1.136 1129 R CA 1.686 57.793 56.100 0.011 0.000 0.959 1129 R CB -0.514 29.772 30.300 -0.025 0.000 0.856 1129 R HN 0.183 nan 8.270 nan 0.000 0.437 1130 L N -0.607 120.653 121.223 0.061 0.000 1.994 1130 L HA -0.199 4.141 4.340 0.000 0.000 0.208 1130 L C 2.497 179.487 176.870 0.201 0.000 1.071 1130 L CA 1.320 56.231 54.840 0.118 0.000 0.745 1130 L CB -0.600 41.530 42.059 0.118 0.000 0.892 1130 L HN 0.449 nan 8.230 nan 0.000 0.431 1131 W N 1.343 122.632 121.300 -0.018 0.000 2.350 1131 W HA -0.206 4.454 4.660 0.000 0.000 0.289 1131 W C 2.063 178.558 176.519 -0.039 0.000 1.215 1131 W CA 1.010 58.328 57.345 -0.044 0.000 1.236 1131 W CB 0.162 29.572 29.460 -0.083 0.000 1.130 1131 W HN 0.093 nan 8.180 nan 0.000 0.541 1132 K N 0.446 120.826 120.400 -0.033 0.000 2.243 1132 K HA -0.066 4.255 4.320 0.000 0.000 0.201 1132 K C 0.053 176.584 176.600 -0.115 0.000 1.051 1132 K CA 0.548 56.745 56.287 -0.150 0.000 0.970 1132 K CB -0.888 31.579 32.500 -0.055 0.000 0.755 1132 K HN 0.100 nan 8.250 nan 0.000 0.465 1133 D N 1.015 121.399 120.400 -0.028 0.000 2.525 1133 D HA -0.076 4.564 4.640 0.000 0.000 0.235 1133 D C 1.130 177.429 176.300 -0.002 0.000 1.137 1133 D CA 0.318 54.331 54.000 0.023 0.000 0.868 1133 D CB 0.943 41.819 40.800 0.128 0.000 1.180 1133 D HN 0.069 nan 8.370 nan 0.000 0.465 1134 S N 2.027 117.732 115.700 0.008 0.000 2.399 1134 S HA -0.101 4.369 4.470 0.000 0.000 0.231 1134 S C 1.998 176.610 174.600 0.020 0.000 1.022 1134 S CA 0.795 58.992 58.200 -0.004 0.000 0.983 1134 S CB -0.495 62.706 63.200 0.002 0.000 0.803 1134 S HN 0.578 nan 8.310 nan 0.000 0.480 1135 G N 1.614 110.451 108.800 0.062 0.000 2.424 1135 G HA2 -0.075 3.885 3.960 0.000 0.000 0.214 1135 G HA3 -0.075 3.885 3.960 0.000 0.000 0.214 1135 G C 1.447 176.371 174.900 0.040 0.000 1.202 1135 G CA 0.824 45.948 45.100 0.039 0.000 0.793 1135 G HN 0.446 nan 8.290 nan 0.000 0.534 1136 V N 0.765 120.741 119.914 0.104 0.000 2.317 1136 V HA -0.241 3.879 4.120 0.000 0.000 0.251 1136 V C 3.014 179.186 176.094 0.130 0.000 1.065 1136 V CA 2.027 64.410 62.300 0.139 0.000 1.049 1136 V CB -0.420 31.534 31.823 0.218 0.000 0.651 1136 V HN 0.305 nan 8.190 nan 0.000 0.450 1137 Q N -0.618 119.199 119.800 0.027 0.000 2.167 1137 Q HA -0.075 4.265 4.340 0.000 0.000 0.202 1137 Q C 2.437 178.506 176.000 0.115 0.000 0.970 1137 Q CA 1.685 57.490 55.803 0.005 0.000 0.855 1137 Q CB -0.561 28.090 28.738 -0.145 0.000 0.911 1137 Q HN 0.681 nan 8.270 nan 0.000 0.438 1138 A N 0.149 123.009 122.820 0.067 0.000 1.902 1138 A HA -0.190 4.130 4.320 0.000 0.000 0.217 1138 A C 2.477 180.114 177.584 0.089 0.000 1.181 1138 A CA 1.509 53.579 52.037 0.055 0.000 0.623 1138 A CB -1.114 17.900 19.000 0.024 0.000 0.818 1138 A HN 0.501 nan 8.150 nan 0.000 0.443 1139 C N -1.542 117.830 119.300 0.121 0.000 2.440 1139 C HA -0.047 4.413 4.460 0.000 0.000 0.278 1139 C C 2.424 177.601 174.990 0.311 0.000 1.295 1139 C CA 1.026 60.151 59.018 0.179 0.000 1.738 1139 C CB -1.577 26.236 27.740 0.121 0.000 1.987 1139 C HN 0.654 nan 8.230 nan 0.000 0.492 1140 F N 2.547 122.610 119.950 0.188 0.000 2.171 1140 F HA -0.043 4.484 4.527 0.000 0.000 0.300 1140 F C 1.977 177.849 175.800 0.121 0.000 1.090 1140 F CA 1.933 60.066 58.000 0.222 0.000 1.293 1140 F CB -0.666 38.462 39.000 0.213 0.000 1.013 1140 F HN 0.243 nan 8.300 nan 0.000 0.486 1141 N N 0.653 119.289 118.700 -0.108 0.000 2.521 1141 N HA -0.021 4.719 4.740 0.000 0.000 0.188 1141 N C 0.727 176.130 175.510 -0.178 0.000 1.146 1141 N CA 0.534 53.447 53.050 -0.228 0.000 0.893 1141 N CB -0.197 38.260 38.487 -0.051 0.000 0.975 1141 N HN 0.438 nan 8.380 nan 0.000 0.451 1142 R N -0.072 120.368 120.500 -0.099 0.000 2.613 1142 R HA 0.138 4.479 4.340 0.000 0.000 0.361 1142 R C 1.389 177.593 176.300 -0.160 0.000 1.072 1142 R CA -0.048 56.015 56.100 -0.062 0.000 1.089 1142 R CB 0.324 30.656 30.300 0.054 0.000 1.343 1142 R HN 0.122 nan 8.270 nan 0.000 0.571 1143 S N 1.147 116.612 115.700 -0.392 0.000 2.440 1143 S HA -0.247 4.223 4.470 0.000 0.000 0.238 1143 S C 1.885 176.040 174.600 -0.741 0.000 1.010 1143 S CA 0.986 58.657 58.200 -0.881 0.000 0.972 1143 S CB -0.216 62.614 63.200 -0.617 0.000 0.774 1143 S HN 0.475 nan 8.310 nan 0.000 0.501 1144 R N 1.433 121.692 120.500 -0.401 0.000 2.241 1144 R HA 0.045 4.385 4.340 0.000 0.000 0.224 1144 R C 1.517 177.694 176.300 -0.204 0.000 1.101 1144 R CA 1.468 57.402 56.100 -0.277 0.000 0.995 1144 R CB -0.609 29.560 30.300 -0.218 0.000 0.870 1144 R HN 0.512 nan 8.270 nan 0.000 0.463 1145 E N 0.062 120.158 120.200 -0.172 0.000 2.478 1145 E HA 0.001 4.352 4.350 0.000 0.000 0.194 1145 E C -0.323 176.355 176.600 0.130 0.000 1.045 1145 E CA 0.459 56.864 56.400 0.008 0.000 0.868 1145 E CB 0.150 29.910 29.700 0.101 0.000 0.885 1145 E HN 0.522 nan 8.360 nan 0.000 0.505 1146 Y N -1.936 118.359 120.300 -0.007 0.000 3.168 1146 Y HA 0.465 5.015 4.550 0.000 0.000 0.291 1146 Y C -0.896 175.014 175.900 0.016 0.000 1.801 1146 Y CA -1.420 56.687 58.100 0.011 0.000 1.060 1146 Y CB 0.662 39.136 38.460 0.023 0.000 1.539 1146 Y HN -0.399 nan 8.280 nan 0.000 0.500 1147 Q N 1.429 121.367 119.800 0.230 0.000 2.413 1147 Q HA 0.526 4.866 4.340 0.000 0.000 0.258 1147 Q C -1.975 174.119 176.000 0.157 0.000 1.037 1147 Q CA -0.608 55.257 55.803 0.103 0.000 0.764 1147 Q CB 2.251 31.055 28.738 0.111 0.000 1.217 1147 Q HN 0.547 nan 8.270 nan 0.000 0.490 1148 L N 3.466 124.706 121.223 0.029 0.000 2.356 1148 L HA 0.370 4.710 4.340 0.000 0.000 0.277 1148 L C -0.521 176.394 176.870 0.075 0.000 0.996 1148 L CA -0.461 54.443 54.840 0.107 0.000 0.822 1148 L CB 1.511 43.631 42.059 0.100 0.000 1.256 1148 L HN 0.571 nan 8.230 nan 0.000 0.413 1149 N N 1.579 120.340 118.700 0.101 0.000 2.441 1149 N HA -0.011 4.729 4.740 0.000 0.000 0.251 1149 N C -0.110 175.447 175.510 0.079 0.000 1.242 1149 N CA -0.073 53.025 53.050 0.079 0.000 0.898 1149 N CB 0.466 39.004 38.487 0.085 0.000 1.100 1149 N HN 0.512 nan 8.380 nan 0.000 0.443 1150 D N 0.613 121.043 120.400 0.051 0.000 2.332 1150 D HA 0.008 4.648 4.640 0.000 0.000 0.244 1150 D C 0.090 176.399 176.300 0.015 0.000 1.136 1150 D CA 0.441 54.469 54.000 0.046 0.000 0.884 1150 D CB -0.088 40.728 40.800 0.028 0.000 0.906 1150 D HN 0.553 nan 8.370 nan 0.000 0.520 1151 S N -0.490 115.218 115.700 0.013 0.000 2.540 1151 S HA 0.190 4.660 4.470 0.000 0.000 0.222 1151 S C 1.866 176.479 174.600 0.021 0.000 1.008 1151 S CA -0.018 58.139 58.200 -0.070 0.000 0.939 1151 S CB 0.942 64.100 63.200 -0.071 0.000 0.865 1151 S HN 0.295 nan 8.310 nan 0.000 0.499 1152 A N 2.375 125.245 122.820 0.084 0.000 1.841 1152 A HA -0.007 4.313 4.320 0.000 0.000 0.216 1152 A C 2.333 179.855 177.584 -0.105 0.000 1.199 1152 A CA 1.909 53.974 52.037 0.047 0.000 0.621 1152 A CB -1.289 17.780 19.000 0.116 0.000 0.835 1152 A HN 0.532 nan 8.150 nan 0.000 0.445 1153 A N -1.949 120.863 122.820 -0.013 0.000 1.933 1153 A HA -0.098 4.222 4.320 0.000 0.000 0.218 1153 A C 2.108 179.643 177.584 -0.082 0.000 1.175 1153 A CA 1.733 53.712 52.037 -0.096 0.000 0.628 1153 A CB -0.853 18.277 19.000 0.218 0.000 0.814 1153 A HN 0.793 nan 8.150 nan 0.000 0.444 1154 Y N -0.664 119.539 120.300 -0.163 0.000 2.081 1154 Y HA -0.327 4.223 4.550 0.000 0.000 0.280 1154 Y C 2.153 177.899 175.900 -0.256 0.000 1.163 1154 Y CA 2.372 60.325 58.100 -0.245 0.000 1.135 1154 Y CB -0.450 37.763 38.460 -0.411 0.000 0.970 1154 Y HN 0.381 nan 8.280 nan 0.000 0.498 1155 Y N -0.472 119.787 120.300 -0.068 0.000 2.206 1155 Y HA -0.122 4.428 4.550 0.000 0.000 0.292 1155 Y C 2.445 178.147 175.900 -0.330 0.000 1.123 1155 Y CA 1.243 59.230 58.100 -0.188 0.000 1.142 1155 Y CB -0.961 37.461 38.460 -0.063 0.000 1.006 1155 Y HN 0.076 nan 8.280 nan 0.000 0.518 1156 L N 0.041 121.069 121.223 -0.325 0.000 2.081 1156 L HA -0.282 4.058 4.340 0.000 0.000 0.212 1156 L C 1.738 178.295 176.870 -0.522 0.000 1.080 1156 L CA 1.392 55.800 54.840 -0.720 0.000 0.754 1156 L CB -0.484 40.577 42.059 -1.662 0.000 0.893 1156 L HN 0.279 nan 8.230 nan 0.000 0.433 1157 N N -0.529 118.015 118.700 -0.259 0.000 2.494 1157 N HA -0.096 4.644 4.740 0.000 0.000 0.182 1157 N C 0.509 175.977 175.510 -0.070 0.000 1.076 1157 N CA 0.822 53.884 53.050 0.021 0.000 0.908 1157 N CB 0.000 38.535 38.487 0.080 0.000 0.967 1157 N HN 0.285 nan 8.380 nan 0.000 0.449 1158 D N 0.064 120.365 120.400 -0.165 0.000 2.424 1158 D HA 0.163 4.803 4.640 0.000 0.000 0.220 1158 D C 1.741 177.957 176.300 -0.139 0.000 1.150 1158 D CA -0.216 53.686 54.000 -0.164 0.000 0.831 1158 D CB 0.268 40.914 40.800 -0.258 0.000 0.981 1158 D HN 0.110 nan 8.370 nan 0.000 0.500 1159 L N 0.442 121.587 121.223 -0.130 0.000 1.997 1159 L HA -0.249 4.091 4.340 0.000 0.000 0.216 1159 L C 1.580 178.378 176.870 -0.120 0.000 1.074 1159 L CA 1.434 56.192 54.840 -0.136 0.000 0.763 1159 L CB -0.055 41.934 42.059 -0.117 0.000 0.890 1159 L HN 0.028 nan 8.230 nan 0.000 0.434 1160 D N -0.768 119.585 120.400 -0.078 0.000 2.170 1160 D HA -0.271 4.369 4.640 0.000 0.000 0.193 1160 D C 2.161 178.425 176.300 -0.060 0.000 1.004 1160 D CA 1.513 55.478 54.000 -0.058 0.000 0.860 1160 D CB -0.167 40.613 40.800 -0.033 0.000 0.931 1160 D HN 0.290 nan 8.370 nan 0.000 0.448 1161 R N 0.501 120.959 120.500 -0.071 0.000 2.057 1161 R HA -0.031 4.309 4.340 0.000 0.000 0.229 1161 R C 2.598 178.820 176.300 -0.130 0.000 1.136 1161 R CA 1.063 57.135 56.100 -0.046 0.000 0.952 1161 R CB -0.217 30.070 30.300 -0.020 0.000 0.848 1161 R HN 0.333 nan 8.270 nan 0.000 0.430 1162 I N -1.959 118.394 120.570 -0.361 0.000 2.546 1162 I HA 0.104 4.274 4.170 0.000 0.000 0.255 1162 I C 2.009 177.879 176.117 -0.412 0.000 1.163 1162 I CA 1.340 62.067 61.300 -0.955 0.000 1.457 1162 I CB -0.281 37.173 38.000 -0.910 0.000 1.092 1162 I HN 0.072 nan 8.210 nan 0.000 0.434 1163 A N 0.618 123.309 122.820 -0.214 0.000 2.119 1163 A HA 0.010 4.330 4.320 0.000 0.000 0.217 1163 A C 1.362 178.892 177.584 -0.089 0.000 1.153 1163 A CA 0.334 52.254 52.037 -0.195 0.000 0.692 1163 A CB -0.516 18.358 19.000 -0.209 0.000 0.799 1163 A HN 0.625 nan 8.150 nan 0.000 0.458 1164 Q N 0.254 120.057 119.800 0.005 0.000 2.364 1164 Q HA 0.088 4.428 4.340 0.000 0.000 0.267 1164 Q C -1.383 174.727 176.000 0.184 0.000 0.999 1164 Q CA -1.364 54.486 55.803 0.080 0.000 0.886 1164 Q CB 0.614 29.406 28.738 0.090 0.000 1.243 1164 Q HN 0.280 nan 8.270 nan 0.000 0.415 1165 P HA -0.210 nan 4.420 nan 0.000 0.218 1165 P C 0.028 177.468 177.300 0.234 0.000 1.146 1165 P CA 1.606 64.870 63.100 0.274 0.000 0.813 1165 P CB 0.130 31.972 31.700 0.237 0.000 0.778 1166 N N -2.340 116.471 118.700 0.185 0.000 2.276 1166 N HA -0.053 4.687 4.740 0.000 0.000 0.212 1166 N C 0.197 175.805 175.510 0.164 0.000 1.127 1166 N CA -0.786 52.348 53.050 0.141 0.000 0.834 1166 N CB -1.049 37.494 38.487 0.093 0.000 1.014 1166 N HN 0.029 nan 8.380 nan 0.000 0.491 1167 Y N 1.751 122.113 120.300 0.103 0.000 2.721 1167 Y HA 0.190 4.740 4.550 0.000 0.000 0.329 1167 Y C -0.384 175.546 175.900 0.049 0.000 1.211 1167 Y CA -0.624 57.527 58.100 0.085 0.000 1.512 1167 Y CB 0.256 38.797 38.460 0.135 0.000 1.249 1167 Y HN 0.097 nan 8.280 nan 0.000 0.549 1168 I N 9.740 129.976 120.570 -0.558 0.000 2.439 1168 I HA 0.269 4.439 4.170 0.000 0.000 0.283 1168 I C -2.350 173.302 176.117 -0.775 0.000 1.023 1168 I CA -2.255 58.706 61.300 -0.565 0.000 1.100 1168 I CB 1.711 39.583 38.000 -0.213 0.000 1.238 1168 I HN 0.539 nan 8.210 nan 0.000 0.445 1169 P HA -0.017 nan 4.420 nan 0.000 0.261 1169 P C 0.251 177.454 177.300 -0.161 0.000 1.183 1169 P CA 0.206 63.048 63.100 -0.430 0.000 0.761 1169 P CB 0.344 31.910 31.700 -0.224 0.000 0.785 1170 T N 0.281 114.821 114.554 -0.023 0.000 2.753 1170 T HA 0.050 4.400 4.350 0.000 0.000 0.309 1170 T C 1.320 175.992 174.700 -0.046 0.000 1.043 1170 T CA -0.054 62.042 62.100 -0.007 0.000 0.964 1170 T CB 0.364 69.264 68.868 0.052 0.000 1.206 1170 T HN 0.216 nan 8.240 nan 0.000 0.528 1171 Q N 0.005 119.782 119.800 -0.039 0.000 2.002 1171 Q HA -0.141 4.199 4.340 0.000 0.000 0.204 1171 Q C 2.498 178.421 176.000 -0.128 0.000 0.988 1171 Q CA 2.225 57.980 55.803 -0.080 0.000 0.843 1171 Q CB -0.791 27.925 28.738 -0.036 0.000 0.908 1171 Q HN 0.801 nan 8.270 nan 0.000 0.420 1172 Q N 0.274 120.041 119.800 -0.055 0.000 2.061 1172 Q HA -0.176 4.164 4.340 0.000 0.000 0.204 1172 Q C 1.484 177.429 176.000 -0.091 0.000 0.984 1172 Q CA 2.189 57.950 55.803 -0.069 0.000 0.846 1172 Q CB -0.456 28.310 28.738 0.047 0.000 0.902 1172 Q HN 0.494 nan 8.270 nan 0.000 0.421 1173 D N -0.932 119.522 120.400 0.089 0.000 2.133 1173 D HA -0.163 4.477 4.640 0.000 0.000 0.195 1173 D C 1.847 178.150 176.300 0.006 0.000 0.997 1173 D CA 1.570 55.707 54.000 0.228 0.000 0.840 1173 D CB -0.267 40.741 40.800 0.345 0.000 0.947 1173 D HN 0.196 nan 8.370 nan 0.000 0.452 1174 V N 1.006 120.775 119.914 -0.242 0.000 2.358 1174 V HA -0.189 3.931 4.120 0.000 0.000 0.246 1174 V C 2.698 178.452 176.094 -0.566 0.000 1.047 1174 V CA 0.942 62.883 62.300 -0.598 0.000 1.035 1174 V CB -0.440 30.767 31.823 -1.028 0.000 0.658 1174 V HN 0.208 nan 8.190 nan 0.000 0.452 1175 L N -0.342 120.613 121.223 -0.447 0.000 2.042 1175 L HA -0.171 4.169 4.340 0.000 0.000 0.210 1175 L C 2.731 179.428 176.870 -0.288 0.000 1.076 1175 L CA 1.444 56.077 54.840 -0.345 0.000 0.749 1175 L CB -0.431 41.460 42.059 -0.279 0.000 0.893 1175 L HN 0.252 nan 8.230 nan 0.000 0.432 1176 R N -0.001 120.302 120.500 -0.329 0.000 2.316 1176 R HA -0.009 4.331 4.340 0.000 0.000 0.202 1176 R C 0.859 177.131 176.300 -0.048 0.000 1.029 1176 R CA 0.514 56.404 56.100 -0.351 0.000 1.018 1176 R CB -1.142 28.644 30.300 -0.857 0.000 0.888 1176 R HN 0.461 nan 8.270 nan 0.000 0.471 1177 T N 0.189 114.750 114.554 0.012 0.000 2.898 1177 T HA 0.315 4.665 4.350 0.000 0.000 0.301 1177 T C 0.252 174.995 174.700 0.070 0.000 1.049 1177 T CA -0.693 61.477 62.100 0.115 0.000 1.095 1177 T CB 0.973 69.900 68.868 0.098 0.000 0.976 1177 T HN 0.226 nan 8.240 nan 0.000 0.539 1178 R N 1.334 121.895 120.500 0.102 0.000 2.412 1178 R HA 0.603 4.944 4.340 0.000 0.000 0.304 1178 R C -0.193 176.156 176.300 0.082 0.000 1.066 1178 R CA -0.967 55.179 56.100 0.077 0.000 0.923 1178 R CB 0.882 31.227 30.300 0.075 0.000 1.156 1178 R HN 0.636 nan 8.270 nan 0.000 0.513 1179 V N -0.641 119.326 119.914 0.088 0.000 3.336 1179 V HA 0.508 4.628 4.120 0.000 0.000 0.314 1179 V C -0.072 176.058 176.094 0.060 0.000 1.088 1179 V CA -1.262 61.087 62.300 0.081 0.000 1.033 1179 V CB 1.170 33.057 31.823 0.107 0.000 1.181 1179 V HN 0.554 nan 8.190 nan 0.000 0.449 1180 K N 1.438 121.867 120.400 0.047 0.000 2.250 1180 K HA 0.313 4.633 4.320 0.000 0.000 0.285 1180 K C 1.128 177.750 176.600 0.037 0.000 1.097 1180 K CA 0.581 56.891 56.287 0.039 0.000 0.913 1180 K CB 0.860 33.378 32.500 0.030 0.000 1.179 1180 K HN 0.938 nan 8.250 nan 0.000 0.462 1181 T N -0.810 113.766 114.554 0.038 0.000 3.023 1181 T HA -0.159 4.192 4.350 0.000 0.000 0.266 1181 T C 1.424 176.137 174.700 0.022 0.000 1.093 1181 T CA 0.772 62.892 62.100 0.033 0.000 1.129 1181 T CB -0.710 68.177 68.868 0.033 0.000 0.899 1181 T HN 0.814 nan 8.240 nan 0.000 0.491 1182 T N 0.390 114.956 114.554 0.020 0.000 13.928 1182 T HA -0.231 4.119 4.350 0.000 0.000 0.416 1182 T C 1.064 175.764 174.700 0.000 0.000 1.443 1182 T CA 0.618 62.725 62.100 0.012 0.000 2.321 1182 T CB -2.009 66.865 68.868 0.011 0.000 2.747 1182 T HN 1.397 nan 8.240 nan 0.000 0.336 1183 G N 0.958 109.755 108.800 -0.005 0.000 2.554 1183 G HA2 0.479 4.439 3.960 0.000 0.000 0.238 1183 G HA3 0.479 4.439 3.960 0.000 0.000 0.238 1183 G C 0.519 175.406 174.900 -0.022 0.000 1.259 1183 G CA -0.291 44.797 45.100 -0.020 0.000 0.843 1183 G HN 1.074 nan 8.290 nan 0.000 0.582 1184 I N 0.449 120.991 120.570 -0.047 0.000 3.435 1184 I HA -0.195 3.975 4.170 0.000 0.000 0.354 1184 I C 0.699 176.818 176.117 0.003 0.000 1.211 1184 I CA 0.354 61.634 61.300 -0.033 0.000 1.512 1184 I CB -0.426 37.561 38.000 -0.022 0.000 1.295 1184 I HN -0.029 nan 8.210 nan 0.000 0.472 1185 V N 6.868 126.784 119.914 0.002 0.000 2.904 1185 V HA 0.422 4.542 4.120 0.000 0.000 0.305 1185 V C 0.226 176.287 176.094 -0.056 0.000 1.067 1185 V CA -0.260 62.034 62.300 -0.009 0.000 1.044 1185 V CB 1.643 33.469 31.823 0.004 0.000 1.050 1185 V HN 0.833 nan 8.190 nan 0.000 0.475 1186 E N 0.952 121.084 120.200 -0.114 0.000 2.390 1186 E HA 0.565 4.915 4.350 0.000 0.000 0.280 1186 E C -1.561 174.902 176.600 -0.229 0.000 0.992 1186 E CA -0.518 55.703 56.400 -0.299 0.000 0.790 1186 E CB 2.483 31.876 29.700 -0.513 0.000 1.248 1186 E HN 0.683 nan 8.360 nan 0.000 0.447 1187 T N 1.493 115.846 114.554 -0.336 0.000 2.923 1187 T HA 0.536 4.887 4.350 0.000 0.000 0.311 1187 T C -1.894 172.642 174.700 -0.273 0.000 1.183 1187 T CA -0.509 61.507 62.100 -0.139 0.000 1.020 1187 T CB 0.834 69.705 68.868 0.005 0.000 1.165 1187 T HN 0.519 nan 8.240 nan 0.000 0.482 1188 H N 2.574 121.678 119.070 0.057 0.000 2.622 1188 H HA 0.809 5.366 4.556 0.000 0.000 0.363 1188 H C -0.627 174.836 175.328 0.226 0.000 1.151 1188 H CA -0.603 55.473 56.048 0.048 0.000 1.184 1188 H CB 1.359 31.118 29.762 -0.006 0.000 1.643 1188 H HN 0.668 nan 8.280 nan 0.000 0.531 1189 F N -2.186 117.911 119.950 0.246 0.000 2.744 1189 F HA 0.571 5.098 4.527 0.000 0.000 0.311 1189 F C -1.451 174.524 175.800 0.292 0.000 1.144 1189 F CA -0.916 57.212 58.000 0.213 0.000 0.938 1189 F CB 0.972 40.050 39.000 0.129 0.000 1.292 1189 F HN 0.368 nan 8.300 nan 0.000 0.444 1190 T N 3.119 117.946 114.554 0.456 0.000 2.771 1190 T HA 0.639 4.989 4.350 0.000 0.000 0.281 1190 T C -1.875 173.124 174.700 0.499 0.000 0.982 1190 T CA -0.212 62.075 62.100 0.312 0.000 0.978 1190 T CB 0.894 69.855 68.868 0.156 0.000 0.930 1190 T HN 0.593 nan 8.240 nan 0.000 0.447 1191 F N 3.143 123.263 119.950 0.283 0.000 2.588 1191 F HA 0.403 4.930 4.527 0.000 0.000 0.318 1191 F C 0.050 175.969 175.800 0.198 0.000 1.155 1191 F CA -1.636 56.507 58.000 0.239 0.000 0.967 1191 F CB 1.237 40.324 39.000 0.144 0.000 1.236 1191 F HN 0.589 nan 8.300 nan 0.000 0.455 1192 K N 5.294 125.454 120.400 -0.399 0.000 3.156 1192 K HA -0.232 4.088 4.320 0.000 0.000 0.266 1192 K C -0.504 175.971 176.600 -0.209 0.000 0.966 1192 K CA 1.249 57.289 56.287 -0.411 0.000 0.719 1192 K CB -1.131 30.974 32.500 -0.658 0.000 1.333 1192 K HN 0.866 nan 8.250 nan 0.000 0.468 1193 D N -1.338 118.976 120.400 -0.143 0.000 2.870 1193 D HA -0.214 4.427 4.640 0.000 0.000 0.228 1193 D C -0.278 175.871 176.300 -0.251 0.000 1.147 1193 D CA 1.382 55.281 54.000 -0.169 0.000 0.757 1193 D CB -0.888 39.835 40.800 -0.129 0.000 1.091 1193 D HN 0.386 nan 8.370 nan 0.000 0.429 1194 L N 0.197 121.254 121.223 -0.276 0.000 2.381 1194 L HA 0.357 4.697 4.340 0.000 0.000 0.268 1194 L C 0.246 176.825 176.870 -0.486 0.000 0.997 1194 L CA -0.841 53.745 54.840 -0.424 0.000 0.818 1194 L CB 2.195 43.922 42.059 -0.552 0.000 1.310 1194 L HN -0.043 nan 8.230 nan 0.000 0.416 1195 H N 3.092 121.980 119.070 -0.303 0.000 2.724 1195 H HA 0.302 4.858 4.556 0.000 0.000 0.278 1195 H C -0.873 174.244 175.328 -0.351 0.000 1.159 1195 H CA -0.314 55.609 56.048 -0.209 0.000 1.254 1195 H CB 0.463 30.158 29.762 -0.112 0.000 1.412 1195 H HN 0.255 nan 8.280 nan 0.000 0.488 1196 F N 2.043 121.815 119.950 -0.297 0.000 2.412 1196 F HA 0.215 4.742 4.527 0.000 0.000 0.348 1196 F C 0.980 176.542 175.800 -0.397 0.000 1.102 1196 F CA -0.147 57.569 58.000 -0.473 0.000 1.196 1196 F CB 1.130 39.458 39.000 -1.120 0.000 1.144 1196 F HN 0.168 nan 8.300 nan 0.000 0.541 1197 K N 4.959 125.353 120.400 -0.010 0.000 2.507 1197 K HA 0.390 4.710 4.320 0.000 0.000 0.253 1197 K C -1.063 175.533 176.600 -0.008 0.000 0.969 1197 K CA -0.506 55.713 56.287 -0.113 0.000 0.908 1197 K CB 1.025 33.583 32.500 0.097 0.000 1.127 1197 K HN 0.677 nan 8.250 nan 0.000 0.437 1198 M N 5.548 125.047 119.600 -0.168 0.000 2.101 1198 M HA 0.393 4.873 4.480 0.000 0.000 0.340 1198 M C -1.586 174.637 176.300 -0.129 0.000 1.057 1198 M CA -0.550 54.763 55.300 0.022 0.000 0.984 1198 M CB 0.489 33.157 32.600 0.113 0.000 1.560 1198 M HN 0.408 nan 8.290 nan 0.000 0.435 1199 F N 2.305 122.255 119.950 0.001 0.000 2.432 1199 F HA 0.496 5.023 4.527 0.000 0.000 0.329 1199 F C -0.025 175.776 175.800 0.002 0.000 1.076 1199 F CA -0.505 57.486 58.000 -0.015 0.000 1.018 1199 F CB 1.331 40.321 39.000 -0.017 0.000 1.201 1199 F HN 0.470 nan 8.300 nan 0.000 0.489 1200 D N 0.860 121.358 120.400 0.163 0.000 2.365 1200 D HA 0.228 4.868 4.640 0.000 0.000 0.235 1200 D C 0.113 176.435 176.300 0.037 0.000 1.368 1200 D CA -0.279 53.777 54.000 0.093 0.000 1.001 1200 D CB 1.452 42.286 40.800 0.057 0.000 1.364 1200 D HN 0.215 nan 8.370 nan 0.000 0.577 1201 V N 3.068 122.973 119.914 -0.016 0.000 2.490 1201 V HA 0.140 4.260 4.120 0.000 0.000 0.250 1201 V C 1.892 177.963 176.094 -0.039 0.000 1.061 1201 V CA 1.614 63.822 62.300 -0.154 0.000 1.064 1201 V CB -1.504 30.015 31.823 -0.507 0.000 0.670 1201 V HN 0.923 nan 8.190 nan 0.000 0.461 1202 G N -0.007 108.820 108.800 0.045 0.000 2.562 1202 G HA2 -0.143 3.817 3.960 0.000 0.000 0.250 1202 G HA3 -0.143 3.817 3.960 0.000 0.000 0.250 1202 G C 0.535 175.490 174.900 0.092 0.000 1.269 1202 G CA -0.164 44.972 45.100 0.060 0.000 0.919 1202 G HN 1.115 nan 8.290 nan 0.000 0.574 1203 G N -0.124 108.722 108.800 0.076 0.000 3.562 1203 G HA2 0.457 4.417 3.960 0.000 0.000 0.279 1203 G HA3 0.457 4.417 3.960 0.000 0.000 0.279 1203 G C 0.421 175.372 174.900 0.083 0.000 1.314 1203 G CA 0.986 46.141 45.100 0.091 0.000 1.189 1203 G HN 0.709 nan 8.290 nan 0.000 0.562 1204 Q N 0.776 120.619 119.800 0.071 0.000 2.325 1204 Q HA 0.270 4.610 4.340 0.000 0.000 0.262 1204 Q C -0.050 176.000 176.000 0.084 0.000 0.968 1204 Q CA -0.803 55.031 55.803 0.051 0.000 0.877 1204 Q CB 1.058 29.798 28.738 0.003 0.000 1.253 1204 Q HN 0.229 nan 8.270 nan 0.000 0.448 1205 R N 2.333 122.893 120.500 0.100 0.000 2.540 1205 R HA 0.106 4.447 4.340 0.000 0.000 0.317 1205 R C -0.432 175.938 176.300 0.118 0.000 1.233 1205 R CA 0.132 56.319 56.100 0.145 0.000 1.003 1205 R CB 0.088 30.455 30.300 0.111 0.000 1.034 1205 R HN 0.462 nan 8.270 nan 0.000 0.483 1206 S N 2.000 117.789 115.700 0.148 0.000 2.616 1206 S HA 0.145 4.615 4.470 0.000 0.000 0.277 1206 S C 0.221 174.913 174.600 0.154 0.000 1.234 1206 S CA -0.858 57.332 58.200 -0.017 0.000 1.028 1206 S CB 1.508 64.419 63.200 -0.480 0.000 0.988 1206 S HN 0.434 nan 8.310 nan 0.000 0.522 1207 E N 0.696 120.933 120.200 0.062 0.000 2.345 1207 E HA 0.165 4.515 4.350 0.000 0.000 0.259 1207 E C 1.039 177.738 176.600 0.165 0.000 1.117 1207 E CA -0.520 55.945 56.400 0.108 0.000 0.913 1207 E CB 0.574 30.294 29.700 0.033 0.000 1.057 1207 E HN 0.518 nan 8.360 nan 0.000 0.432 1208 R N 1.576 122.162 120.500 0.144 0.000 2.211 1208 R HA -0.220 4.120 4.340 0.000 0.000 0.240 1208 R C 1.318 177.647 176.300 0.048 0.000 1.144 1208 R CA 1.663 57.841 56.100 0.130 0.000 0.992 1208 R CB 0.108 30.441 30.300 0.055 0.000 0.869 1208 R HN 0.396 nan 8.270 nan 0.000 0.462 1209 K N 0.210 120.588 120.400 -0.038 0.000 1.973 1209 K HA -0.106 4.214 4.320 0.000 0.000 0.210 1209 K C 2.070 178.483 176.600 -0.311 0.000 1.045 1209 K CA 1.416 57.585 56.287 -0.196 0.000 0.937 1209 K CB -0.099 32.303 32.500 -0.162 0.000 0.721 1209 K HN 0.025 nan 8.250 nan 0.000 0.438 1210 K N 0.673 120.948 120.400 -0.207 0.000 2.001 1210 K HA -0.201 4.120 4.320 0.000 0.000 0.214 1210 K C 2.037 178.501 176.600 -0.228 0.000 1.050 1210 K CA 1.699 57.847 56.287 -0.232 0.000 0.934 1210 K CB -0.819 31.503 32.500 -0.297 0.000 0.718 1210 K HN 0.335 nan 8.250 nan 0.000 0.443 1211 W N 1.400 122.591 121.300 -0.181 0.000 2.304 1211 W HA -0.207 4.453 4.660 0.000 0.000 0.315 1211 W C 2.185 178.516 176.519 -0.313 0.000 1.233 1211 W CA 0.375 57.529 57.345 -0.319 0.000 1.261 1211 W CB -0.255 29.086 29.460 -0.199 0.000 1.150 1211 W HN -0.003 nan 8.180 nan 0.000 0.494 1212 I N -0.519 120.163 120.570 0.187 0.000 2.163 1212 I HA -0.316 3.854 4.170 0.000 0.000 0.243 1212 I C 2.027 178.340 176.117 0.327 0.000 1.085 1212 I CA 1.932 63.440 61.300 0.346 0.000 1.347 1212 I CB -1.797 36.337 38.000 0.224 0.000 1.044 1212 I HN 0.240 nan 8.210 nan 0.000 0.408 1213 H N -1.007 118.111 119.070 0.081 0.000 2.421 1213 H HA -0.138 4.418 4.556 0.000 0.000 0.298 1213 H C 2.453 177.726 175.328 -0.093 0.000 1.087 1213 H CA 1.178 57.229 56.048 0.004 0.000 1.330 1213 H CB 0.197 29.939 29.762 -0.033 0.000 1.388 1213 H HN 0.328 nan 8.280 nan 0.000 0.526 1214 C N 0.049 119.318 119.300 -0.052 0.000 2.440 1214 C HA -0.108 4.352 4.460 0.000 0.000 0.278 1214 C C 2.361 177.336 174.990 -0.024 0.000 1.295 1214 C CA 0.691 59.574 59.018 -0.225 0.000 1.738 1214 C CB -1.025 26.507 27.740 -0.347 0.000 1.987 1214 C HN 0.526 nan 8.230 nan 0.000 0.492 1215 F N 0.457 120.523 119.950 0.194 0.000 2.661 1215 F HA 0.032 4.559 4.527 0.000 0.000 0.298 1215 F C 1.163 176.954 175.800 -0.014 0.000 1.137 1215 F CA -0.018 58.096 58.000 0.190 0.000 1.454 1215 F CB -0.118 39.127 39.000 0.408 0.000 1.103 1215 F HN 0.190 nan 8.300 nan 0.000 0.577 1216 E N 1.289 121.581 120.200 0.155 0.000 2.406 1216 E HA 0.006 4.356 4.350 0.000 0.000 0.258 1216 E C 0.928 177.516 176.600 -0.019 0.000 1.043 1216 E CA 0.393 56.812 56.400 0.031 0.000 0.929 1216 E CB 0.364 30.100 29.700 0.060 0.000 0.969 1216 E HN 0.398 nan 8.360 nan 0.000 0.462 1217 G N 2.853 111.616 108.800 -0.062 0.000 2.396 1217 G HA2 -0.253 3.707 3.960 0.000 0.000 0.288 1217 G HA3 -0.253 3.707 3.960 0.000 0.000 0.288 1217 G C 0.462 175.354 174.900 -0.012 0.000 0.926 1217 G CA 0.647 45.719 45.100 -0.046 0.000 1.211 1217 G HN 0.457 nan 8.290 nan 0.000 0.496 1218 V N -2.009 117.914 119.914 0.014 0.000 2.607 1218 V HA 0.675 4.795 4.120 0.000 0.000 0.289 1218 V C 1.392 177.515 176.094 0.049 0.000 1.053 1218 V CA 0.347 62.674 62.300 0.046 0.000 0.996 1218 V CB 1.248 33.126 31.823 0.092 0.000 0.995 1218 V HN 0.277 nan 8.190 nan 0.000 0.476 1219 T N 2.848 117.440 114.554 0.064 0.000 2.708 1219 T HA 0.253 4.603 4.350 0.000 0.000 0.266 1219 T C 0.730 175.476 174.700 0.077 0.000 1.037 1219 T CA 1.866 64.002 62.100 0.060 0.000 1.146 1219 T CB -0.108 68.801 68.868 0.068 0.000 0.865 1219 T HN 1.467 nan 8.240 nan 0.000 0.435 1220 A N -0.191 122.689 122.820 0.100 0.000 2.589 1220 A HA 0.683 5.003 4.320 0.000 0.000 0.296 1220 A C -1.488 176.155 177.584 0.098 0.000 1.062 1220 A CA -0.797 51.299 52.037 0.098 0.000 0.686 1220 A CB 1.071 20.136 19.000 0.109 0.000 1.282 1220 A HN 0.294 nan 8.150 nan 0.000 0.404 1221 I N 1.905 122.519 120.570 0.073 0.000 2.331 1221 I HA 0.340 4.510 4.170 0.000 0.000 0.292 1221 I C -0.593 175.563 176.117 0.066 0.000 0.998 1221 I CA -0.278 61.069 61.300 0.079 0.000 1.267 1221 I CB 1.327 39.341 38.000 0.025 0.000 1.386 1221 I HN 0.476 nan 8.210 nan 0.000 0.476 1222 I N 7.010 127.590 120.570 0.017 0.000 2.347 1222 I HA 0.175 4.345 4.170 0.000 0.000 0.283 1222 I C -0.513 175.563 176.117 -0.068 0.000 1.058 1222 I CA -0.397 60.812 61.300 -0.152 0.000 1.202 1222 I CB 0.480 38.257 38.000 -0.371 0.000 1.386 1222 I HN 0.417 nan 8.210 nan 0.000 0.475 1223 F N 6.569 126.467 119.950 -0.087 0.000 2.421 1223 F HA 0.281 4.808 4.527 0.000 0.000 0.358 1223 F C 0.329 176.095 175.800 -0.056 0.000 1.115 1223 F CA -0.197 57.801 58.000 -0.004 0.000 1.160 1223 F CB 0.375 39.455 39.000 0.132 0.000 1.123 1223 F HN 0.378 nan 8.300 nan 0.000 0.508 1224 C N 5.928 125.049 119.300 -0.298 0.000 2.330 1224 C HA 0.715 5.175 4.460 0.000 0.000 0.344 1224 C C -0.200 174.674 174.990 -0.193 0.000 1.273 1224 C CA -0.927 58.011 59.018 -0.135 0.000 1.879 1224 C CB 0.478 28.173 27.740 -0.075 0.000 2.376 1224 C HN 0.560 nan 8.230 nan 0.000 0.534 1225 V N 2.994 122.841 119.914 -0.112 0.000 2.588 1225 V HA 0.496 4.616 4.120 0.000 0.000 0.304 1225 V C 0.786 176.838 176.094 -0.069 0.000 1.042 1225 V CA -0.146 62.080 62.300 -0.123 0.000 0.877 1225 V CB 1.708 33.312 31.823 -0.364 0.000 0.996 1225 V HN 1.040 nan 8.190 nan 0.000 0.425 1226 A N 3.378 126.197 122.820 -0.002 0.000 2.014 1226 A HA 0.068 4.389 4.320 0.000 0.000 0.218 1226 A C 1.724 179.340 177.584 0.053 0.000 1.163 1226 A CA 1.725 53.782 52.037 0.033 0.000 0.652 1226 A CB -0.384 18.653 19.000 0.061 0.000 0.808 1226 A HN 1.020 nan 8.150 nan 0.000 0.449 1227 L N -2.152 119.091 121.223 0.034 0.000 3.153 1227 L HA -0.399 3.941 4.340 0.000 0.000 0.369 1227 L C 2.215 179.279 176.870 0.323 0.000 3.110 1227 L CA 1.737 56.571 54.840 -0.010 0.000 2.423 1227 L CB -1.741 40.202 42.059 -0.193 0.000 2.474 1227 L HN 0.590 nan 8.230 nan 0.000 0.797 1228 S N -1.155 114.767 115.700 0.369 0.000 2.507 1228 S HA -0.103 4.367 4.470 0.000 0.000 0.235 1228 S C 1.040 175.802 174.600 0.270 0.000 0.988 1228 S CA 1.296 59.779 58.200 0.470 0.000 0.944 1228 S CB -0.138 63.234 63.200 0.287 0.000 0.762 1228 S HN 0.498 nan 8.310 nan 0.000 0.526 1229 D N 1.451 121.977 120.400 0.209 0.000 2.312 1229 D HA -0.028 4.612 4.640 0.000 0.000 0.211 1229 D C 1.501 177.845 176.300 0.074 0.000 0.964 1229 D CA 0.756 54.816 54.000 0.099 0.000 0.877 1229 D CB -0.478 40.384 40.800 0.103 0.000 0.924 1229 D HN 0.791 nan 8.370 nan 0.000 0.515 1230 Y N 1.165 121.537 120.300 0.120 0.000 2.241 1230 Y HA -0.203 4.347 4.550 0.000 0.000 0.286 1230 Y C 1.288 177.222 175.900 0.057 0.000 1.166 1230 Y CA 1.498 59.657 58.100 0.097 0.000 1.203 1230 Y CB -0.743 37.839 38.460 0.204 0.000 0.977 1230 Y HN -0.048 nan 8.280 nan 0.000 0.529 1231 D N 0.479 120.357 120.400 -0.871 0.000 2.340 1231 D HA 0.053 4.693 4.640 0.000 0.000 0.217 1231 D C 0.031 176.155 176.300 -0.294 0.000 1.081 1231 D CA -0.156 53.469 54.000 -0.625 0.000 0.842 1231 D CB -0.631 39.663 40.800 -0.844 0.000 0.934 1231 D HN 0.438 nan 8.370 nan 0.000 0.511 1232 L N 1.134 122.236 121.223 -0.202 0.000 2.410 1232 L HA 0.179 4.519 4.340 0.000 0.000 0.273 1232 L C 0.415 177.239 176.870 -0.077 0.000 1.152 1232 L CA -0.739 54.026 54.840 -0.125 0.000 0.855 1232 L CB 1.545 43.557 42.059 -0.079 0.000 1.129 1232 L HN -0.211 nan 8.230 nan 0.000 0.463 1233 V N 4.633 124.509 119.914 -0.063 0.000 2.572 1233 V HA 0.018 4.138 4.120 0.000 0.000 0.291 1233 V C 0.535 176.621 176.094 -0.012 0.000 1.039 1233 V CA -0.430 61.851 62.300 -0.031 0.000 1.055 1233 V CB 1.011 32.825 31.823 -0.016 0.000 0.969 1233 V HN 0.552 nan 8.190 nan 0.000 0.482 1234 L N 3.841 125.060 121.223 -0.006 0.000 2.461 1234 L HA 0.662 5.002 4.340 0.000 0.000 0.272 1234 L C 0.595 177.475 176.870 0.017 0.000 1.197 1234 L CA -0.329 54.515 54.840 0.007 0.000 0.836 1234 L CB 0.321 42.382 42.059 0.003 0.000 1.105 1234 L HN 0.661 nan 8.230 nan 0.000 0.477 1235 A N 2.010 124.845 122.820 0.026 0.000 2.466 1235 A HA 0.039 4.359 4.320 0.000 0.000 0.238 1235 A C 1.133 178.734 177.584 0.028 0.000 1.074 1235 A CA 0.196 52.254 52.037 0.033 0.000 0.774 1235 A CB 0.156 19.180 19.000 0.040 0.000 1.015 1235 A HN 1.023 nan 8.150 nan 0.000 0.498 1236 E N 0.260 120.477 120.200 0.029 0.000 2.331 1236 E HA -0.205 4.145 4.350 0.000 0.000 0.199 1236 E C 0.258 176.871 176.600 0.021 0.000 1.008 1236 E CA 1.446 57.860 56.400 0.024 0.000 0.843 1236 E CB 0.050 29.764 29.700 0.025 0.000 0.761 1236 E HN 0.773 nan 8.360 nan 0.000 0.507 1237 D N -0.118 120.297 120.400 0.025 0.000 2.501 1237 D HA 0.056 4.696 4.640 0.000 0.000 0.226 1237 D C -0.308 176.007 176.300 0.025 0.000 1.198 1237 D CA -0.106 53.908 54.000 0.024 0.000 0.830 1237 D CB 0.184 41.001 40.800 0.028 0.000 1.014 1237 D HN -0.023 nan 8.370 nan 0.000 0.496 1238 E N 0.719 120.933 120.200 0.022 0.000 2.244 1238 E HA 0.163 4.513 4.350 0.000 0.000 0.266 1238 E C 0.597 177.204 176.600 0.013 0.000 0.914 1238 E CA -0.373 56.040 56.400 0.023 0.000 0.794 1238 E CB 2.078 31.794 29.700 0.027 0.000 1.210 1238 E HN 0.390 nan 8.360 nan 0.000 0.414 1239 E N 1.576 121.783 120.200 0.012 0.000 2.474 1239 E HA 0.109 4.459 4.350 0.000 0.000 0.195 1239 E C 0.586 177.177 176.600 -0.016 0.000 1.039 1239 E CA 0.237 56.637 56.400 -0.000 0.000 0.881 1239 E CB 0.185 29.887 29.700 0.004 0.000 0.970 1239 E HN 0.442 nan 8.360 nan 0.000 0.486 1240 M N 0.197 119.792 119.600 -0.008 0.000 2.603 1240 M HA 0.345 4.825 4.480 0.000 0.000 0.275 1240 M C -1.381 174.923 176.300 0.007 0.000 1.226 1240 M CA -1.096 54.184 55.300 -0.033 0.000 0.870 1240 M CB 1.534 34.127 32.600 -0.012 0.000 1.716 1240 M HN -0.034 nan 8.290 nan 0.000 0.482 1241 N N 1.245 119.947 118.700 0.004 0.000 2.354 1241 N HA 0.238 4.978 4.740 0.000 0.000 0.246 1241 N C -0.070 175.500 175.510 0.099 0.000 1.285 1241 N CA -0.635 52.444 53.050 0.049 0.000 0.925 1241 N CB 1.094 39.607 38.487 0.043 0.000 1.174 1241 N HN 0.758 nan 8.380 nan 0.000 0.478 1242 R N -0.655 119.894 120.500 0.081 0.000 2.105 1242 R HA -0.157 4.183 4.340 0.000 0.000 0.239 1242 R C 2.052 178.427 176.300 0.126 0.000 1.135 1242 R CA 1.485 57.642 56.100 0.096 0.000 0.967 1242 R CB -0.396 29.950 30.300 0.077 0.000 0.861 1242 R HN 0.591 nan 8.270 nan 0.000 0.442 1243 M N -0.024 119.645 119.600 0.115 0.000 2.117 1243 M HA -0.132 4.348 4.480 0.000 0.000 0.262 1243 M C 1.501 177.799 176.300 -0.004 0.000 1.065 1243 M CA 1.878 57.236 55.300 0.097 0.000 1.114 1243 M CB -0.205 32.399 32.600 0.007 0.000 1.361 1243 M HN 0.097 nan 8.290 nan 0.000 0.408 1244 H N -0.517 118.543 119.070 -0.016 0.000 2.423 1244 H HA -0.019 4.537 4.556 0.000 0.000 0.297 1244 H C 1.973 177.310 175.328 0.015 0.000 1.075 1244 H CA 1.712 57.740 56.048 -0.032 0.000 1.342 1244 H CB -0.075 29.663 29.762 -0.039 0.000 1.395 1244 H HN 0.533 nan 8.280 nan 0.000 0.530 1245 E N -0.262 120.031 120.200 0.155 0.000 2.051 1245 E HA -0.185 4.165 4.350 0.000 0.000 0.192 1245 E C 2.330 179.037 176.600 0.178 0.000 0.991 1245 E CA 1.124 57.607 56.400 0.138 0.000 0.799 1245 E CB -0.061 29.713 29.700 0.124 0.000 0.748 1245 E HN 0.267 nan 8.360 nan 0.000 0.449 1246 S N 0.314 116.152 115.700 0.230 0.000 2.370 1246 S HA -0.176 4.294 4.470 0.000 0.000 0.226 1246 S C 2.021 176.877 174.600 0.426 0.000 1.033 1246 S CA 1.220 59.671 58.200 0.419 0.000 1.011 1246 S CB -0.071 63.438 63.200 0.514 0.000 0.852 1246 S HN 0.157 nan 8.310 nan 0.000 0.457 1247 M N 0.759 120.378 119.600 0.033 0.000 2.159 1247 M HA -0.103 4.377 4.480 0.000 0.000 0.263 1247 M C 2.326 178.604 176.300 -0.036 0.000 1.063 1247 M CA 1.562 56.661 55.300 -0.334 0.000 1.110 1247 M CB -0.292 31.936 32.600 -0.619 0.000 1.374 1247 M HN 0.258 nan 8.290 nan 0.000 0.411 1248 K N 0.559 120.981 120.400 0.037 0.000 2.026 1248 K HA -0.201 4.119 4.320 0.000 0.000 0.208 1248 K C 1.908 178.555 176.600 0.078 0.000 1.048 1248 K CA 1.293 57.612 56.287 0.053 0.000 0.929 1248 K CB -0.193 32.348 32.500 0.069 0.000 0.713 1248 K HN 0.163 nan 8.250 nan 0.000 0.439 1249 L N 0.631 121.950 121.223 0.160 0.000 2.083 1249 L HA -0.101 4.239 4.340 0.000 0.000 0.209 1249 L C 1.973 178.914 176.870 0.119 0.000 1.083 1249 L CA 1.553 56.508 54.840 0.192 0.000 0.752 1249 L CB -0.643 41.619 42.059 0.338 0.000 0.899 1249 L HN 0.202 nan 8.230 nan 0.000 0.433 1250 F N 0.245 120.129 119.950 -0.110 0.000 2.186 1250 F HA -0.185 4.342 4.527 0.000 0.000 0.299 1250 F C 2.307 177.949 175.800 -0.263 0.000 1.090 1250 F CA 1.788 59.495 58.000 -0.489 0.000 1.307 1250 F CB -0.396 38.298 39.000 -0.510 0.000 1.019 1250 F HN 0.264 nan 8.300 nan 0.000 0.489 1251 D N -0.274 120.075 120.400 -0.085 0.000 2.104 1251 D HA -0.173 4.468 4.640 0.000 0.000 0.194 1251 D C 2.184 178.379 176.300 -0.175 0.000 0.994 1251 D CA 1.742 55.666 54.000 -0.126 0.000 0.830 1251 D CB -0.118 40.656 40.800 -0.044 0.000 0.959 1251 D HN 0.322 nan 8.370 nan 0.000 0.452 1252 S N 0.215 115.845 115.700 -0.116 0.000 2.348 1252 S HA -0.108 4.363 4.470 0.000 0.000 0.221 1252 S C 2.110 176.652 174.600 -0.097 0.000 1.033 1252 S CA 0.578 58.735 58.200 -0.071 0.000 1.010 1252 S CB -0.068 63.124 63.200 -0.015 0.000 0.891 1252 S HN 0.280 nan 8.310 nan 0.000 0.442 1253 I N 1.466 121.896 120.570 -0.233 0.000 2.099 1253 I HA -0.223 3.947 4.170 0.000 0.000 0.239 1253 I C 2.768 178.643 176.117 -0.403 0.000 1.066 1253 I CA 0.992 62.032 61.300 -0.433 0.000 1.324 1253 I CB -1.761 35.868 38.000 -0.618 0.000 1.037 1253 I HN 0.409 nan 8.210 nan 0.000 0.401 1254 C N 1.910 120.843 119.300 -0.612 0.000 2.413 1254 C HA -0.164 4.296 4.460 0.000 0.000 0.276 1254 C C 2.488 177.327 174.990 -0.252 0.000 1.236 1254 C CA 1.238 59.925 59.018 -0.551 0.000 1.735 1254 C CB -1.232 25.973 27.740 -0.892 0.000 2.031 1254 C HN 0.524 nan 8.230 nan 0.000 0.474 1255 N N 0.741 119.329 118.700 -0.187 0.000 2.353 1255 N HA 0.016 4.756 4.740 0.000 0.000 0.185 1255 N C 0.116 175.616 175.510 -0.017 0.000 1.098 1255 N CA 0.151 53.149 53.050 -0.088 0.000 0.872 1255 N CB -0.556 37.882 38.487 -0.082 0.000 0.970 1255 N HN 0.601 nan 8.380 nan 0.000 0.467 1256 N N 2.200 120.930 118.700 0.050 0.000 2.431 1256 N HA -0.033 4.707 4.740 0.000 0.000 0.265 1256 N C 1.049 176.609 175.510 0.083 0.000 1.184 1256 N CA 0.170 53.276 53.050 0.094 0.000 0.943 1256 N CB 1.037 39.643 38.487 0.198 0.000 1.080 1256 N HN 0.067 nan 8.380 nan 0.000 0.477 1257 K N 3.435 123.857 120.400 0.036 0.000 2.228 1257 K HA -0.183 4.137 4.320 0.000 0.000 0.205 1257 K C 1.343 177.974 176.600 0.051 0.000 1.045 1257 K CA 1.196 57.502 56.287 0.032 0.000 0.931 1257 K CB -0.103 32.409 32.500 0.021 0.000 0.727 1257 K HN 0.628 nan 8.250 nan 0.000 0.458 1258 W N 0.101 121.258 121.300 -0.239 0.000 2.525 1258 W HA -0.055 4.605 4.660 0.000 0.000 0.259 1258 W C 0.522 176.773 176.519 -0.446 0.000 1.253 1258 W CA 0.748 57.870 57.345 -0.372 0.000 1.262 1258 W CB 0.002 29.143 29.460 -0.531 0.000 1.122 1258 W HN 0.014 nan 8.180 nan 0.000 0.607 1259 F N -0.666 119.238 119.950 -0.076 0.000 2.664 1259 F HA 0.103 4.631 4.527 0.000 0.000 0.303 1259 F C 2.096 177.797 175.800 -0.165 0.000 1.092 1259 F CA 0.645 58.518 58.000 -0.212 0.000 1.305 1259 F CB -0.892 37.976 39.000 -0.220 0.000 1.054 1259 F HN -0.365 nan 8.300 nan 0.000 0.565 1260 T N -0.303 114.256 114.554 0.008 0.000 2.649 1260 T HA -0.247 4.103 4.350 0.000 0.000 0.268 1260 T C 1.323 176.010 174.700 -0.021 0.000 1.036 1260 T CA 2.098 64.192 62.100 -0.011 0.000 1.157 1260 T CB -0.187 68.668 68.868 -0.021 0.000 0.861 1260 T HN 0.238 nan 8.240 nan 0.000 0.445 1261 D N 0.782 121.158 120.400 -0.042 0.000 2.340 1261 D HA 0.066 4.706 4.640 0.000 0.000 0.220 1261 D C 0.287 176.577 176.300 -0.017 0.000 1.039 1261 D CA 0.366 54.346 54.000 -0.033 0.000 0.866 1261 D CB 0.077 40.846 40.800 -0.051 0.000 0.913 1261 D HN 0.329 nan 8.370 nan 0.000 0.523 1262 T N 0.782 115.335 114.554 -0.003 0.000 2.767 1262 T HA 0.250 4.600 4.350 0.000 0.000 0.288 1262 T C 0.443 175.151 174.700 0.012 0.000 0.963 1262 T CA -0.370 61.739 62.100 0.016 0.000 1.019 1262 T CB 1.759 70.656 68.868 0.048 0.000 0.923 1262 T HN -0.208 nan 8.240 nan 0.000 0.468 1263 S N 2.789 118.516 115.700 0.045 0.000 2.564 1263 S HA 0.384 4.855 4.470 0.000 0.000 0.278 1263 S C 0.175 174.813 174.600 0.063 0.000 1.333 1263 S CA -0.541 57.709 58.200 0.084 0.000 1.048 1263 S CB 0.167 63.478 63.200 0.185 0.000 0.900 1263 S HN 0.495 nan 8.310 nan 0.000 0.505 1264 I N 3.365 123.967 120.570 0.053 0.000 2.382 1264 I HA 0.408 4.578 4.170 0.000 0.000 0.286 1264 I C -0.757 175.456 176.117 0.160 0.000 1.002 1264 I CA -0.312 61.022 61.300 0.057 0.000 1.135 1264 I CB 1.166 39.144 38.000 -0.038 0.000 1.288 1264 I HN 0.423 nan 8.210 nan 0.000 0.448 1265 I N 6.892 127.571 120.570 0.182 0.000 2.362 1265 I HA 0.292 4.462 4.170 0.000 0.000 0.289 1265 I C -0.680 175.539 176.117 0.170 0.000 0.994 1265 I CA -0.731 60.702 61.300 0.222 0.000 1.158 1265 I CB 1.900 39.992 38.000 0.152 0.000 1.315 1265 I HN 0.350 nan 8.210 nan 0.000 0.451 1266 L N 7.539 128.880 121.223 0.197 0.000 2.272 1266 L HA 0.505 4.846 4.340 0.000 0.000 0.289 1266 L C -1.267 175.762 176.870 0.265 0.000 1.032 1266 L CA 0.107 55.016 54.840 0.114 0.000 0.810 1266 L CB 0.584 42.568 42.059 -0.125 0.000 1.205 1266 L HN 0.242 nan 8.230 nan 0.000 0.422 1267 F N 6.285 126.199 119.950 -0.059 0.000 2.332 1267 F HA 0.387 4.914 4.527 0.000 0.000 0.368 1267 F C -0.162 175.508 175.800 -0.217 0.000 1.110 1267 F CA -1.003 56.946 58.000 -0.085 0.000 1.087 1267 F CB 0.973 39.964 39.000 -0.016 0.000 1.235 1267 F HN 0.273 nan 8.300 nan 0.000 0.470 1268 L N 4.456 125.538 121.223 -0.235 0.000 2.356 1268 L HA 0.216 4.556 4.340 0.000 0.000 0.282 1268 L C 0.380 177.147 176.870 -0.171 0.000 1.132 1268 L CA -0.315 54.314 54.840 -0.351 0.000 0.923 1268 L CB -0.095 41.544 42.059 -0.700 0.000 1.278 1268 L HN 0.462 nan 8.230 nan 0.000 0.436 1269 N N 2.690 121.347 118.700 -0.072 0.000 2.413 1269 N HA 0.191 4.931 4.740 0.000 0.000 0.266 1269 N C 0.066 175.598 175.510 0.037 0.000 1.238 1269 N CA -0.284 52.763 53.050 -0.006 0.000 0.972 1269 N CB 0.616 39.120 38.487 0.028 0.000 1.210 1269 N HN 0.331 nan 8.380 nan 0.000 0.547 1270 K N -0.849 119.588 120.400 0.062 0.000 3.071 1270 K HA -0.241 4.079 4.320 0.000 0.000 0.265 1270 K C 0.510 177.222 176.600 0.187 0.000 1.060 1270 K CA 0.917 57.267 56.287 0.105 0.000 0.767 1270 K CB -1.251 31.314 32.500 0.107 0.000 1.241 1270 K HN 0.727 nan 8.250 nan 0.000 0.486 1271 K N 0.375 120.894 120.400 0.199 0.000 2.209 1271 K HA -0.196 4.124 4.320 0.000 0.000 0.204 1271 K C 1.382 178.181 176.600 0.332 0.000 1.048 1271 K CA 1.905 58.403 56.287 0.351 0.000 0.940 1271 K CB -0.063 32.667 32.500 0.382 0.000 0.729 1271 K HN 0.397 nan 8.250 nan 0.000 0.451 1272 D N 2.187 122.694 120.400 0.178 0.000 2.097 1272 D HA -0.199 4.442 4.640 0.000 0.000 0.197 1272 D C 2.107 178.487 176.300 0.133 0.000 0.984 1272 D CA 1.019 55.081 54.000 0.103 0.000 0.826 1272 D CB -0.478 40.355 40.800 0.055 0.000 0.973 1272 D HN 0.330 nan 8.370 nan 0.000 0.460 1273 L N -0.867 120.455 121.223 0.165 0.000 2.141 1273 L HA -0.055 4.285 4.340 0.000 0.000 0.209 1273 L C 2.640 179.653 176.870 0.238 0.000 1.094 1273 L CA 0.680 55.618 54.840 0.164 0.000 0.763 1273 L CB -0.516 41.633 42.059 0.149 0.000 0.908 1273 L HN -0.070 nan 8.230 nan 0.000 0.437 1274 F N 1.334 121.395 119.950 0.185 0.000 2.102 1274 F HA -0.240 4.287 4.527 0.000 0.000 0.298 1274 F C 2.553 178.501 175.800 0.247 0.000 1.105 1274 F CA 1.913 60.061 58.000 0.245 0.000 1.239 1274 F CB -0.156 38.986 39.000 0.238 0.000 0.991 1274 F HN 0.082 nan 8.300 nan 0.000 0.474 1275 E N -0.197 120.180 120.200 0.294 0.000 2.118 1275 E HA -0.244 4.106 4.350 0.000 0.000 0.195 1275 E C 2.065 178.657 176.600 -0.014 0.000 0.992 1275 E CA 1.567 58.038 56.400 0.119 0.000 0.804 1275 E CB -0.089 29.544 29.700 -0.113 0.000 0.741 1275 E HN 0.353 nan 8.360 nan 0.000 0.458 1276 E N 0.565 120.771 120.200 0.010 0.000 2.046 1276 E HA -0.104 4.246 4.350 0.000 0.000 0.190 1276 E C 1.979 178.570 176.600 -0.015 0.000 0.982 1276 E CA 0.832 57.232 56.400 -0.000 0.000 0.800 1276 E CB -0.054 29.662 29.700 0.025 0.000 0.756 1276 E HN 0.247 nan 8.360 nan 0.000 0.449 1277 K N 0.457 120.856 120.400 -0.002 0.000 2.057 1277 K HA -0.118 4.202 4.320 0.000 0.000 0.207 1277 K C 2.099 178.699 176.600 -0.000 0.000 1.049 1277 K CA 0.716 57.014 56.287 0.018 0.000 0.931 1277 K CB -0.237 32.331 32.500 0.114 0.000 0.714 1277 K HN 0.014 nan 8.250 nan 0.000 0.440 1278 I N 2.142 122.599 120.570 -0.188 0.000 2.657 1278 I HA -0.236 3.934 4.170 0.000 0.000 0.261 1278 I C 1.406 177.469 176.117 -0.090 0.000 1.212 1278 I CA 1.479 62.627 61.300 -0.254 0.000 1.453 1278 I CB -0.066 37.577 38.000 -0.595 0.000 1.092 1278 I HN 0.041 nan 8.210 nan 0.000 0.452 1279 K N -0.158 120.209 120.400 -0.055 0.000 2.155 1279 K HA -0.086 4.234 4.320 0.000 0.000 0.203 1279 K C 1.760 178.357 176.600 -0.004 0.000 1.052 1279 K CA 1.166 57.440 56.287 -0.022 0.000 0.948 1279 K CB 0.039 32.528 32.500 -0.017 0.000 0.728 1279 K HN 0.300 nan 8.250 nan 0.000 0.448 1280 K N -0.628 119.773 120.400 0.002 0.000 2.435 1280 K HA 0.167 4.487 4.320 0.000 0.000 0.199 1280 K C -0.131 176.483 176.600 0.023 0.000 1.153 1280 K CA 0.009 56.301 56.287 0.008 0.000 0.974 1280 K CB 1.345 33.842 32.500 -0.005 0.000 0.997 1280 K HN -0.176 nan 8.250 nan 0.000 0.547 1281 S N 3.576 119.308 115.700 0.053 0.000 2.498 1281 S HA 0.296 4.766 4.470 0.000 0.000 0.324 1281 S C -2.546 172.175 174.600 0.201 0.000 1.071 1281 S CA -1.291 56.961 58.200 0.087 0.000 1.113 1281 S CB 1.353 64.561 63.200 0.014 0.000 0.976 1281 S HN 0.044 nan 8.310 nan 0.000 0.462 1282 P HA 0.074 nan 4.420 nan 0.000 0.271 1282 P C 0.769 178.235 177.300 0.278 0.000 1.218 1282 P CA -0.536 62.670 63.100 0.177 0.000 0.780 1282 P CB 0.731 32.509 31.700 0.131 0.000 0.901 1283 L N 3.666 125.005 121.223 0.194 0.000 2.265 1283 L HA -0.121 4.219 4.340 0.000 0.000 0.215 1283 L C 2.129 179.152 176.870 0.256 0.000 1.117 1283 L CA 2.286 57.215 54.840 0.149 0.000 0.782 1283 L CB -1.626 40.260 42.059 -0.287 0.000 0.914 1283 L HN 0.441 nan 8.230 nan 0.000 0.441 1284 T N -3.062 111.649 114.554 0.261 0.000 2.946 1284 T HA -0.188 4.162 4.350 0.000 0.000 0.271 1284 T C 1.942 176.752 174.700 0.184 0.000 1.104 1284 T CA 1.501 63.744 62.100 0.239 0.000 1.114 1284 T CB -0.731 68.246 68.868 0.183 0.000 0.867 1284 T HN 0.415 nan 8.240 nan 0.000 0.513 1285 I N 0.152 120.828 120.570 0.177 0.000 2.286 1285 I HA -0.127 4.043 4.170 0.000 0.000 0.248 1285 I C 2.832 179.001 176.117 0.086 0.000 1.115 1285 I CA 0.839 62.203 61.300 0.107 0.000 1.392 1285 I CB -0.353 37.688 38.000 0.068 0.000 1.065 1285 I HN 0.440 nan 8.210 nan 0.000 0.418 1286 C N -0.337 119.042 119.300 0.132 0.000 2.541 1286 C HA 0.004 4.465 4.460 0.000 0.000 0.284 1286 C C 0.766 175.693 174.990 -0.105 0.000 1.341 1286 C CA -0.014 58.990 59.018 -0.024 0.000 1.732 1286 C CB -0.364 27.342 27.740 -0.057 0.000 2.126 1286 C HN 0.347 nan 8.230 nan 0.000 0.505 1287 Y N 1.778 122.239 120.300 0.269 0.000 2.805 1287 Y HA 0.339 4.889 4.550 0.000 0.000 0.339 1287 Y C -1.535 174.494 175.900 0.216 0.000 1.012 1287 Y CA -2.458 55.813 58.100 0.285 0.000 1.262 1287 Y CB 0.369 39.053 38.460 0.373 0.000 1.100 1287 Y HN 0.266 nan 8.280 nan 0.000 0.559 1288 P HA -0.234 nan 4.420 nan 0.000 0.222 1288 P C 0.880 178.287 177.300 0.179 0.000 1.142 1288 P CA 1.523 64.732 63.100 0.182 0.000 0.788 1288 P CB 0.484 32.252 31.700 0.113 0.000 0.767 1289 E N -0.753 119.584 120.200 0.230 0.000 2.474 1289 E HA -0.110 4.240 4.350 0.000 0.000 0.194 1289 E C 0.317 177.009 176.600 0.153 0.000 1.041 1289 E CA -0.548 55.957 56.400 0.175 0.000 0.874 1289 E CB -1.017 28.794 29.700 0.184 0.000 0.914 1289 E HN 0.217 nan 8.360 nan 0.000 0.498 1290 Y N 1.701 122.010 120.300 0.014 0.000 2.620 1290 Y HA 0.203 4.753 4.550 0.000 0.000 0.330 1290 Y C 0.899 176.707 175.900 -0.154 0.000 1.186 1290 Y CA 0.517 58.470 58.100 -0.244 0.000 1.467 1290 Y CB 0.899 39.140 38.460 -0.365 0.000 1.262 1290 Y HN 0.061 nan 8.280 nan 0.000 0.550 1291 A N 4.850 127.235 122.820 -0.725 0.000 2.508 1291 A HA 0.416 4.736 4.320 0.000 0.000 0.250 1291 A C 1.050 178.184 177.584 -0.748 0.000 1.208 1291 A CA 0.290 51.999 52.037 -0.547 0.000 0.960 1291 A CB -0.586 18.253 19.000 -0.269 0.000 1.099 1291 A HN 0.919 nan 8.150 nan 0.000 0.542 1292 G N 0.381 108.263 108.800 -1.529 0.000 2.553 1292 G HA2 0.406 4.366 3.960 0.000 0.000 0.278 1292 G HA3 0.406 4.366 3.960 0.000 0.000 0.278 1292 G C 0.454 175.069 174.900 -0.474 0.000 1.349 1292 G CA 0.444 44.995 45.100 -0.915 0.000 1.037 1292 G HN 0.741 nan 8.290 nan 0.000 0.508 1293 S N -0.866 114.778 115.700 -0.094 0.000 2.610 1293 S HA 0.237 4.707 4.470 0.000 0.000 0.273 1293 S C 0.122 174.821 174.600 0.164 0.000 1.274 1293 S CA -0.828 57.387 58.200 0.025 0.000 1.023 1293 S CB 1.290 64.502 63.200 0.022 0.000 0.962 1293 S HN 0.412 nan 8.310 nan 0.000 0.523 1294 N N 2.598 121.367 118.700 0.114 0.000 3.331 1294 N HA 0.175 4.915 4.740 0.000 0.000 0.303 1294 N C -0.211 175.324 175.510 0.040 0.000 1.326 1294 N CA 0.010 53.116 53.050 0.094 0.000 1.207 1294 N CB 0.278 38.806 38.487 0.068 0.000 1.477 1294 N HN 0.858 nan 8.380 nan 0.000 0.541 1295 T N -3.197 111.393 114.554 0.060 0.000 2.918 1295 T HA 0.185 4.535 4.350 0.000 0.000 0.286 1295 T C 1.231 175.979 174.700 0.079 0.000 1.026 1295 T CA -0.763 61.375 62.100 0.063 0.000 1.031 1295 T CB 1.596 70.507 68.868 0.071 0.000 1.046 1295 T HN 0.227 nan 8.240 nan 0.000 0.479 1296 Y N 1.941 122.240 120.300 -0.002 0.000 2.081 1296 Y HA -0.196 4.354 4.550 0.000 0.000 0.280 1296 Y C 2.147 178.128 175.900 0.134 0.000 1.163 1296 Y CA 2.324 60.465 58.100 0.067 0.000 1.135 1296 Y CB -0.510 37.975 38.460 0.043 0.000 0.970 1296 Y HN 0.826 nan 8.280 nan 0.000 0.498 1297 E N 0.395 120.579 120.200 -0.026 0.000 2.023 1297 E HA -0.237 4.113 4.350 0.000 0.000 0.196 1297 E C 2.293 178.823 176.600 -0.117 0.000 1.003 1297 E CA 1.856 58.167 56.400 -0.149 0.000 0.809 1297 E CB -0.468 29.233 29.700 0.001 0.000 0.755 1297 E HN 0.673 nan 8.360 nan 0.000 0.449 1298 E N -0.113 120.088 120.200 0.001 0.000 2.072 1298 E HA -0.173 4.177 4.350 0.000 0.000 0.191 1298 E C 1.978 178.636 176.600 0.097 0.000 0.985 1298 E CA 0.947 57.390 56.400 0.071 0.000 0.801 1298 E CB -0.095 29.680 29.700 0.125 0.000 0.750 1298 E HN 0.250 nan 8.360 nan 0.000 0.452 1299 A N 1.105 123.962 122.820 0.063 0.000 1.898 1299 A HA -0.062 4.258 4.320 0.000 0.000 0.216 1299 A C 2.350 179.944 177.584 0.016 0.000 1.181 1299 A CA 1.646 53.673 52.037 -0.017 0.000 0.620 1299 A CB -0.630 18.386 19.000 0.026 0.000 0.819 1299 A HN 0.389 nan 8.150 nan 0.000 0.442 1300 A N -0.119 122.678 122.820 -0.037 0.000 1.898 1300 A HA 0.192 4.513 4.320 0.000 0.000 0.216 1300 A C 2.474 180.024 177.584 -0.057 0.000 1.181 1300 A CA 1.967 53.844 52.037 -0.267 0.000 0.620 1300 A CB -0.961 17.748 19.000 -0.486 0.000 0.819 1300 A HN 1.043 nan 8.150 nan 0.000 0.442 1301 A N -1.901 120.891 122.820 -0.045 0.000 2.015 1301 A HA -0.065 4.255 4.320 0.000 0.000 0.219 1301 A C 2.083 179.697 177.584 0.051 0.000 1.163 1301 A CA 1.522 53.581 52.037 0.037 0.000 0.646 1301 A CB -0.693 18.308 19.000 0.000 0.000 0.806 1301 A HN 0.693 nan 8.150 nan 0.000 0.448 1302 Y N 0.381 120.633 120.300 -0.080 0.000 2.242 1302 Y HA -0.123 4.428 4.550 0.000 0.000 0.291 1302 Y C 1.951 177.731 175.900 -0.199 0.000 1.137 1302 Y CA 1.591 59.616 58.100 -0.124 0.000 1.181 1302 Y CB -0.161 38.189 38.460 -0.183 0.000 0.989 1302 Y HN 0.272 nan 8.280 nan 0.000 0.527 1303 I N 0.209 120.741 120.570 -0.065 0.000 2.179 1303 I HA -0.362 3.808 4.170 0.000 0.000 0.242 1303 I C 2.614 178.718 176.117 -0.022 0.000 1.088 1303 I CA 1.893 63.166 61.300 -0.045 0.000 1.357 1303 I CB -0.615 37.382 38.000 -0.005 0.000 1.051 1303 I HN 0.309 nan 8.210 nan 0.000 0.409 1304 Q N 0.417 120.184 119.800 -0.055 0.000 2.112 1304 Q HA -0.319 4.021 4.340 0.000 0.000 0.206 1304 Q C 2.514 178.469 176.000 -0.075 0.000 0.987 1304 Q CA 2.488 58.240 55.803 -0.083 0.000 0.858 1304 Q CB -0.400 28.334 28.738 -0.006 0.000 0.905 1304 Q HN 0.622 nan 8.270 nan 0.000 0.420 1305 C N 0.843 120.060 119.300 -0.138 0.000 2.429 1305 C HA -0.119 4.341 4.460 0.000 0.000 0.277 1305 C C 2.685 177.516 174.990 -0.265 0.000 1.262 1305 C CA 1.173 60.072 59.018 -0.199 0.000 1.733 1305 C CB -0.776 26.806 27.740 -0.264 0.000 2.010 1305 C HN 0.624 nan 8.230 nan 0.000 0.483 1306 Q N -0.454 119.100 119.800 -0.409 0.000 2.170 1306 Q HA -0.104 4.236 4.340 0.000 0.000 0.203 1306 Q C 1.848 177.669 176.000 -0.299 0.000 0.976 1306 Q CA 1.613 57.157 55.803 -0.431 0.000 0.858 1306 Q CB -0.637 27.726 28.738 -0.625 0.000 0.907 1306 Q HN 0.757 nan 8.270 nan 0.000 0.433 1307 F N 1.310 121.096 119.950 -0.272 0.000 2.118 1307 F HA -0.061 4.466 4.527 0.000 0.000 0.293 1307 F C 2.309 178.018 175.800 -0.153 0.000 1.102 1307 F CA 1.051 58.863 58.000 -0.314 0.000 1.247 1307 F CB -0.121 38.504 39.000 -0.625 0.000 1.017 1307 F HN 0.099 nan 8.300 nan 0.000 0.475 1308 E N -0.043 120.178 120.200 0.036 0.000 2.153 1308 E HA -0.215 4.135 4.350 0.000 0.000 0.194 1308 E C 1.467 178.089 176.600 0.037 0.000 0.988 1308 E CA 1.343 57.783 56.400 0.067 0.000 0.811 1308 E CB -0.296 29.404 29.700 -0.001 0.000 0.746 1308 E HN 0.349 nan 8.360 nan 0.000 0.466 1309 D N 0.713 121.095 120.400 -0.029 0.000 2.263 1309 D HA -0.110 4.531 4.640 0.000 0.000 0.208 1309 D C 1.774 178.059 176.300 -0.025 0.000 0.971 1309 D CA 0.620 54.592 54.000 -0.046 0.000 0.867 1309 D CB -0.057 40.686 40.800 -0.096 0.000 0.929 1309 D HN 0.168 nan 8.370 nan 0.000 0.492 1310 L N -0.072 121.153 121.223 0.004 0.000 2.275 1310 L HA -0.077 4.263 4.340 0.000 0.000 0.215 1310 L C 0.923 177.790 176.870 -0.005 0.000 1.119 1310 L CA 0.107 54.951 54.840 0.006 0.000 0.790 1310 L CB -0.465 41.623 42.059 0.048 0.000 0.919 1310 L HN -0.044 nan 8.230 nan 0.000 0.443 1311 N N 1.410 120.121 118.700 0.018 0.000 2.416 1311 N HA -0.045 4.695 4.740 0.000 0.000 0.265 1311 N C 0.128 175.616 175.510 -0.037 0.000 1.195 1311 N CA 0.308 53.339 53.050 -0.030 0.000 0.943 1311 N CB 0.497 38.980 38.487 -0.008 0.000 1.115 1311 N HN -0.109 nan 8.380 nan 0.000 0.481 1312 K N 3.819 124.190 120.400 -0.048 0.000 3.041 1312 K HA 0.182 4.502 4.320 0.000 0.000 0.243 1312 K C -0.024 176.554 176.600 -0.038 0.000 1.167 1312 K CA 0.082 56.347 56.287 -0.038 0.000 1.235 1312 K CB 0.041 32.520 32.500 -0.035 0.000 1.205 1312 K HN 0.588 nan 8.250 nan 0.000 0.448 1313 R N -0.299 120.176 120.500 -0.041 0.000 2.490 1313 R HA 0.128 4.468 4.340 0.000 0.000 0.410 1313 R C 0.655 176.930 176.300 -0.043 0.000 0.876 1313 R CA -0.121 55.954 56.100 -0.040 0.000 1.061 1313 R CB 0.401 30.673 30.300 -0.046 0.000 1.553 1313 R HN 0.016 nan 8.270 nan 0.000 0.593 1314 K N 0.813 121.191 120.400 -0.038 0.000 2.107 1314 K HA -0.222 4.098 4.320 0.000 0.000 0.211 1314 K C 0.796 177.372 176.600 -0.039 0.000 1.049 1314 K CA 1.877 58.141 56.287 -0.039 0.000 0.927 1314 K CB 0.053 32.535 32.500 -0.030 0.000 0.714 1314 K HN 0.246 nan 8.250 nan 0.000 0.452 1315 D N -0.368 120.013 120.400 -0.032 0.000 2.194 1315 D HA -0.058 4.583 4.640 0.000 0.000 0.204 1315 D C 1.723 178.004 176.300 -0.031 0.000 0.964 1315 D CA 1.157 55.140 54.000 -0.027 0.000 0.846 1315 D CB 0.079 40.867 40.800 -0.021 0.000 0.962 1315 D HN 0.231 nan 8.370 nan 0.000 0.490 1316 T N 0.711 115.245 114.554 -0.034 0.000 2.896 1316 T HA -0.025 4.325 4.350 0.000 0.000 0.238 1316 T C 1.125 175.796 174.700 -0.049 0.000 1.045 1316 T CA 0.281 62.360 62.100 -0.035 0.000 1.248 1316 T CB 0.285 69.134 68.868 -0.032 0.000 0.955 1316 T HN -0.073 nan 8.240 nan 0.000 0.416 1317 K N 2.370 122.734 120.400 -0.059 0.000 2.202 1317 K HA 0.119 4.439 4.320 0.000 0.000 0.264 1317 K C -0.005 176.527 176.600 -0.114 0.000 1.010 1317 K CA -0.435 55.803 56.287 -0.082 0.000 0.940 1317 K CB 0.573 33.022 32.500 -0.084 0.000 0.983 1317 K HN 0.286 nan 8.250 nan 0.000 0.475 1318 E N 4.242 124.338 120.200 -0.173 0.000 2.235 1318 E HA 0.261 4.611 4.350 0.000 0.000 0.265 1318 E C -0.969 175.432 176.600 -0.332 0.000 0.940 1318 E CA -0.642 55.586 56.400 -0.287 0.000 0.819 1318 E CB 1.238 30.666 29.700 -0.453 0.000 1.206 1318 E HN 0.376 nan 8.360 nan 0.000 0.409 1319 I N 3.185 123.557 120.570 -0.331 0.000 2.542 1319 I HA 0.164 4.334 4.170 0.000 0.000 0.278 1319 I C -1.132 174.872 176.117 -0.188 0.000 1.069 1319 I CA -0.776 60.408 61.300 -0.192 0.000 1.100 1319 I CB 0.146 38.146 38.000 -0.001 0.000 1.204 1319 I HN 0.434 nan 8.210 nan 0.000 0.470 1320 Y N 3.990 124.303 120.300 0.021 0.000 2.587 1320 Y HA 0.262 4.812 4.550 0.000 0.000 0.344 1320 Y C 1.201 177.071 175.900 -0.050 0.000 1.061 1320 Y CA 0.151 58.241 58.100 -0.017 0.000 1.370 1320 Y CB 0.291 38.781 38.460 0.049 0.000 1.163 1320 Y HN 0.359 nan 8.280 nan 0.000 0.527 1321 T N 4.463 118.991 114.554 -0.044 0.000 2.859 1321 T HA 0.421 4.771 4.350 0.000 0.000 0.281 1321 T C -0.702 173.793 174.700 -0.342 0.000 1.005 1321 T CA -0.783 61.232 62.100 -0.142 0.000 1.025 1321 T CB 0.621 69.380 68.868 -0.183 0.000 0.977 1321 T HN 0.500 nan 8.240 nan 0.000 0.458 1322 H N 1.260 120.298 119.070 -0.054 0.000 2.806 1322 H HA 0.373 4.929 4.556 0.000 0.000 0.367 1322 H C -1.205 173.938 175.328 -0.308 0.000 1.136 1322 H CA -0.651 55.355 56.048 -0.069 0.000 1.178 1322 H CB 1.423 31.118 29.762 -0.110 0.000 1.718 1322 H HN 0.453 nan 8.280 nan 0.000 0.540 1323 F N 1.718 121.696 119.950 0.046 0.000 2.415 1323 F HA 0.347 4.874 4.527 0.000 0.000 0.348 1323 F C 0.985 176.766 175.800 -0.031 0.000 1.119 1323 F CA -0.341 57.658 58.000 -0.002 0.000 1.069 1323 F CB 1.716 40.737 39.000 0.035 0.000 1.124 1323 F HN 0.408 nan 8.300 nan 0.000 0.472 1324 T N -0.705 113.861 114.554 0.019 0.000 2.865 1324 T HA 0.515 4.865 4.350 0.000 0.000 0.294 1324 T C -1.352 173.353 174.700 0.007 0.000 1.119 1324 T CA -0.943 61.127 62.100 -0.051 0.000 1.007 1324 T CB 1.602 70.299 68.868 -0.286 0.000 1.225 1324 T HN 0.721 nan 8.240 nan 0.000 0.515 1325 C N 2.162 121.456 119.300 -0.011 0.000 2.653 1325 C HA 0.787 5.247 4.460 0.000 0.000 0.291 1325 C C 1.800 176.773 174.990 -0.030 0.000 1.064 1325 C CA 0.043 59.062 59.018 0.002 0.000 1.469 1325 C CB -1.178 26.568 27.740 0.010 0.000 1.861 1325 C HN 1.139 nan 8.230 nan 0.000 0.434 1326 A N 3.193 125.996 122.820 -0.028 0.000 2.084 1326 A HA -0.126 4.194 4.320 0.000 0.000 0.221 1326 A C 2.051 179.599 177.584 -0.060 0.000 1.161 1326 A CA 2.524 54.542 52.037 -0.033 0.000 0.653 1326 A CB -0.556 18.444 19.000 -0.001 0.000 0.802 1326 A HN 1.116 nan 8.150 nan 0.000 0.457 1327 T N -2.757 111.756 114.554 -0.068 0.000 3.113 1327 T HA 0.065 4.415 4.350 0.000 0.000 0.256 1327 T C 0.403 175.048 174.700 -0.092 0.000 1.131 1327 T CA 0.518 62.555 62.100 -0.105 0.000 1.074 1327 T CB -0.076 68.712 68.868 -0.133 0.000 0.944 1327 T HN 0.324 nan 8.240 nan 0.000 0.516 1328 D N 1.541 121.901 120.400 -0.066 0.000 2.467 1328 D HA 0.244 4.884 4.640 0.000 0.000 0.220 1328 D C 0.913 177.176 176.300 -0.062 0.000 1.103 1328 D CA -0.202 53.765 54.000 -0.055 0.000 0.886 1328 D CB 1.290 42.068 40.800 -0.037 0.000 1.025 1328 D HN -0.012 nan 8.370 nan 0.000 0.514 1329 T N 2.943 117.452 114.554 -0.076 0.000 2.737 1329 T HA -0.213 4.137 4.350 0.000 0.000 0.269 1329 T C 1.709 176.364 174.700 -0.075 0.000 1.040 1329 T CA 1.269 63.313 62.100 -0.093 0.000 1.142 1329 T CB 0.124 68.931 68.868 -0.101 0.000 0.861 1329 T HN 0.440 nan 8.240 nan 0.000 0.456 1330 K N 1.120 121.490 120.400 -0.050 0.000 2.057 1330 K HA -0.118 4.202 4.320 0.000 0.000 0.207 1330 K C 2.362 178.969 176.600 0.013 0.000 1.049 1330 K CA 1.334 57.606 56.287 -0.025 0.000 0.931 1330 K CB -0.224 32.258 32.500 -0.031 0.000 0.714 1330 K HN 0.320 nan 8.250 nan 0.000 0.440 1331 N N 0.293 118.993 118.700 -0.000 0.000 2.142 1331 N HA -0.140 4.600 4.740 0.000 0.000 0.186 1331 N C 1.720 177.263 175.510 0.055 0.000 1.023 1331 N CA 1.330 54.402 53.050 0.038 0.000 0.852 1331 N CB 0.113 38.603 38.487 0.005 0.000 0.998 1331 N HN 0.031 nan 8.380 nan 0.000 0.424 1332 V N 1.372 121.277 119.914 -0.014 0.000 2.407 1332 V HA -0.193 3.927 4.120 0.000 0.000 0.248 1332 V C 2.590 178.681 176.094 -0.005 0.000 1.055 1332 V CA 1.574 63.851 62.300 -0.039 0.000 1.049 1332 V CB -0.639 31.135 31.823 -0.081 0.000 0.662 1332 V HN 0.416 nan 8.190 nan 0.000 0.455 1333 Q N -0.693 119.095 119.800 -0.019 0.000 2.046 1333 Q HA -0.231 4.109 4.340 0.000 0.000 0.200 1333 Q C 2.175 178.234 176.000 0.098 0.000 0.975 1333 Q CA 2.084 57.876 55.803 -0.018 0.000 0.836 1333 Q CB -0.203 28.501 28.738 -0.056 0.000 0.896 1333 Q HN 0.617 nan 8.270 nan 0.000 0.428 1334 F N 0.201 120.146 119.950 -0.009 0.000 2.102 1334 F HA -0.203 4.324 4.527 0.000 0.000 0.298 1334 F C 1.861 177.663 175.800 0.002 0.000 1.105 1334 F CA 1.332 59.341 58.000 0.015 0.000 1.239 1334 F CB -0.325 38.678 39.000 0.005 0.000 0.991 1334 F HN -0.095 nan 8.300 nan 0.000 0.474 1335 V N -0.244 119.646 119.914 -0.039 0.000 2.307 1335 V HA -0.282 3.838 4.120 0.000 0.000 0.245 1335 V C 2.211 178.141 176.094 -0.273 0.000 1.045 1335 V CA 2.022 64.159 62.300 -0.272 0.000 1.024 1335 V CB -0.964 30.673 31.823 -0.311 0.000 0.651 1335 V HN 0.403 nan 8.190 nan 0.000 0.449 1336 F N 1.194 121.035 119.950 -0.182 0.000 2.216 1336 F HA -0.171 4.356 4.527 0.000 0.000 0.300 1336 F C 2.323 178.104 175.800 -0.032 0.000 1.085 1336 F CA 1.900 59.845 58.000 -0.090 0.000 1.326 1336 F CB -0.253 38.697 39.000 -0.084 0.000 1.027 1336 F HN 0.267 nan 8.300 nan 0.000 0.497 1337 D N 0.092 120.522 120.400 0.050 0.000 2.178 1337 D HA -0.161 4.479 4.640 0.000 0.000 0.202 1337 D C 2.118 178.370 176.300 -0.081 0.000 0.974 1337 D CA 1.217 55.301 54.000 0.140 0.000 0.841 1337 D CB 0.007 40.907 40.800 0.165 0.000 0.953 1337 D HN 0.353 nan 8.370 nan 0.000 0.478 1338 A N 0.398 123.066 122.820 -0.253 0.000 1.968 1338 A HA -0.032 4.288 4.320 0.000 0.000 0.217 1338 A C 2.573 180.046 177.584 -0.185 0.000 1.169 1338 A CA 0.872 52.769 52.037 -0.233 0.000 0.638 1338 A CB -0.510 18.325 19.000 -0.274 0.000 0.812 1338 A HN 0.210 nan 8.150 nan 0.000 0.446 1339 V N -0.371 119.366 119.914 -0.295 0.000 2.358 1339 V HA -0.193 3.928 4.120 0.000 0.000 0.246 1339 V C 2.721 178.646 176.094 -0.282 0.000 1.047 1339 V CA 2.421 64.548 62.300 -0.287 0.000 1.035 1339 V CB -1.048 30.532 31.823 -0.406 0.000 0.658 1339 V HN 0.582 nan 8.190 nan 0.000 0.452 1340 T N -0.449 113.923 114.554 -0.303 0.000 2.777 1340 T HA -0.173 4.177 4.350 0.000 0.000 0.266 1340 T C 1.638 176.295 174.700 -0.071 0.000 1.040 1340 T CA 1.577 63.613 62.100 -0.106 0.000 1.141 1340 T CB -0.340 68.569 68.868 0.069 0.000 0.868 1340 T HN 0.464 nan 8.240 nan 0.000 0.444 1341 D N 0.763 121.107 120.400 -0.093 0.000 2.178 1341 D HA -0.037 4.603 4.640 0.000 0.000 0.202 1341 D C 2.200 178.442 176.300 -0.097 0.000 0.974 1341 D CA 0.577 54.526 54.000 -0.085 0.000 0.841 1341 D CB -0.312 40.444 40.800 -0.073 0.000 0.953 1341 D HN 0.222 nan 8.370 nan 0.000 0.478 1342 V N 1.205 121.034 119.914 -0.142 0.000 2.358 1342 V HA -0.165 3.955 4.120 0.000 0.000 0.246 1342 V C 2.501 178.494 176.094 -0.168 0.000 1.047 1342 V CA 0.895 63.074 62.300 -0.201 0.000 1.035 1342 V CB -0.223 31.360 31.823 -0.400 0.000 0.658 1342 V HN 0.186 nan 8.190 nan 0.000 0.452 1343 I N -0.443 120.045 120.570 -0.136 0.000 2.361 1343 I HA -0.234 3.937 4.170 0.000 0.000 0.251 1343 I C 2.205 178.291 176.117 -0.052 0.000 1.133 1343 I CA 1.619 62.878 61.300 -0.068 0.000 1.413 1343 I CB -0.198 37.801 38.000 -0.002 0.000 1.073 1343 I HN 0.274 nan 8.210 nan 0.000 0.424 1344 I N 1.165 121.700 120.570 -0.059 0.000 2.233 1344 I HA -0.274 3.896 4.170 0.000 0.000 0.243 1344 I C 2.609 178.698 176.117 -0.047 0.000 1.093 1344 I CA 1.299 62.564 61.300 -0.058 0.000 1.380 1344 I CB -0.323 37.637 38.000 -0.068 0.000 1.067 1344 I HN 0.243 nan 8.210 nan 0.000 0.413 1345 K N 0.596 120.968 120.400 -0.046 0.000 2.211 1345 K HA -0.116 4.204 4.320 0.000 0.000 0.203 1345 K C 1.313 177.904 176.600 -0.015 0.000 1.050 1345 K CA 1.689 57.959 56.287 -0.029 0.000 0.945 1345 K CB -0.384 32.102 32.500 -0.024 0.000 0.732 1345 K HN 0.171 nan 8.250 nan 0.000 0.451 1346 N N 2.074 120.764 118.700 -0.017 0.000 2.521 1346 N HA -0.059 4.682 4.740 0.000 0.000 0.188 1346 N C -0.666 174.843 175.510 -0.001 0.000 1.146 1346 N CA 0.512 53.567 53.050 0.008 0.000 0.893 1346 N CB -0.544 37.958 38.487 0.025 0.000 0.975 1346 N HN 0.514 nan 8.380 nan 0.000 0.451 1347 N N 0.000 118.689 118.700 -0.018 0.000 1.763 1347 N HA 0.000 4.740 4.740 0.000 0.000 0.220 1347 N CA 0.000 53.035 53.050 -0.024 0.000 0.885 1347 N CB 0.000 38.474 38.487 -0.023 0.000 1.341 1347 N HN 0.000 nan 8.380 nan 0.000 0.667