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 2dr0_1_A DATA FIRST_RESID 1021 DATA SEQUENCE SSPPVVDTVH GKVLGKFVSL EGFAQPVAIF LGIPFAKPPL GPLRFTPPQP DATA SEQUENCE AEPWSFVKNA TSYPPMcTQD PKAGQLLSEL FTNRKENIPL KLSEDcLYLN DATA SEQUENCE IYTPADLTKK NRLPVMVWIH GGGLMVGAAS TYDGLALAAH ENVVVVTIQY DATA SEQUENCE RLGIWGFFST GDEHSRGNWG HLDQVAALRW VQDNIASFGG NPGSVTIFGE DATA SEQUENCE SAGGESVSVL VLSPLAKNLF HRAISESGVA LTSVLVKKGD VKPLAEQIAI DATA SEQUENCE TAGcKTTTSA VMVHcLRQKT EEELLETTLK MKFLSLDLQG DPRESQPLLG DATA SEQUENCE TVIDGMLLLK TPEELQAERN FHTVPYMVGI NKQEFGWLIP MXLMSYPLSE DATA SEQUENCE GQLDQKTAMS LLWKSYPLVC IAKELIPEAT EKYLGGTDDT VKKKDLFLDL DATA SEQUENCE IADVMFGVPS VIVARNHRDA GAPTYMYEFQ YRPSFSSDMK PKTVIGDHGD DATA SEQUENCE ELFSVFGAPF LKEGASEEEI RLSKMVMKFW ANFARNGNPN GEGLPHWPEY DATA SEQUENCE NQKEGYLQIG ANTQAAQKLK DKEVAFWTNL FAK 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 1021 S HA 0.000 nan 4.470 nan 0.000 0.327 1021 S C 0.000 174.655 174.600 0.092 0.000 1.055 1021 S CA 0.000 58.239 58.200 0.065 0.000 1.107 1021 S CB 0.000 63.239 63.200 0.065 0.000 0.593 1022 S N 2.208 117.996 115.700 0.147 0.000 2.566 1022 S HA 0.654 5.124 4.470 0.001 0.000 0.273 1022 S C -3.026 171.669 174.600 0.159 0.000 1.157 1022 S CA -0.799 57.475 58.200 0.124 0.000 0.938 1022 S CB 1.671 64.930 63.200 0.098 0.000 1.087 1022 S HN 0.265 nan 8.310 nan 0.000 0.474 1023 P HA 0.176 nan 4.420 nan 0.000 0.266 1023 P C -2.671 174.562 177.300 -0.112 0.000 1.186 1023 P CA -0.680 62.385 63.100 -0.058 0.000 0.767 1023 P CB -0.336 31.326 31.700 -0.064 0.000 0.820 1024 P HA 0.113 nan 4.420 nan 0.000 0.276 1024 P C -0.933 176.382 177.300 0.025 0.000 1.243 1024 P CA 0.248 63.201 63.100 -0.245 0.000 0.768 1024 P CB 0.528 31.870 31.700 -0.595 0.000 0.856 1025 V N 5.176 125.141 119.914 0.085 0.000 2.483 1025 V HA 0.327 4.448 4.120 0.001 0.000 0.297 1025 V C 0.070 176.187 176.094 0.039 0.000 1.027 1025 V CA -0.548 61.819 62.300 0.111 0.000 0.855 1025 V CB 2.132 34.004 31.823 0.083 0.000 0.995 1025 V HN 0.232 nan 8.190 nan 0.000 0.424 1026 V N 3.157 123.048 119.914 -0.038 0.000 2.815 1026 V HA 0.542 4.663 4.120 0.001 0.000 0.314 1026 V C -0.515 175.482 176.094 -0.161 0.000 1.064 1026 V CA -0.750 61.392 62.300 -0.263 0.000 0.952 1026 V CB 2.350 33.673 31.823 -0.834 0.000 1.020 1026 V HN 0.790 nan 8.190 nan 0.000 0.439 1027 D N 1.853 122.153 120.400 -0.167 0.000 2.233 1027 D HA 0.528 5.169 4.640 0.001 0.000 0.240 1027 D C -0.220 176.025 176.300 -0.092 0.000 1.074 1027 D CA 0.102 54.055 54.000 -0.078 0.000 0.838 1027 D CB 2.108 42.867 40.800 -0.069 0.000 1.124 1027 D HN 0.830 nan 8.370 nan 0.000 0.475 1028 T N -1.032 113.515 114.554 -0.012 0.000 2.927 1028 T HA 0.276 4.627 4.350 0.001 0.000 0.286 1028 T C 1.458 176.070 174.700 -0.146 0.000 1.040 1028 T CA -0.675 61.415 62.100 -0.017 0.000 1.010 1028 T CB 1.080 70.096 68.868 0.247 0.000 1.177 1028 T HN 0.010 nan 8.240 nan 0.000 0.546 1029 V N 1.125 120.886 119.914 -0.254 0.000 2.568 1029 V HA -0.117 4.004 4.120 0.001 0.000 0.253 1029 V C 2.087 177.939 176.094 -0.403 0.000 1.072 1029 V CA 1.608 63.695 62.300 -0.355 0.000 1.084 1029 V CB -1.156 30.375 31.823 -0.485 0.000 0.676 1029 V HN 0.855 nan 8.190 nan 0.000 0.469 1030 H N -0.314 118.561 119.070 -0.324 0.000 2.551 1030 H HA 0.506 5.063 4.556 0.001 0.000 0.271 1030 H C 0.993 175.476 175.328 -1.409 0.000 0.984 1030 H CA 0.841 56.470 56.048 -0.698 0.000 1.164 1030 H CB 0.649 30.020 29.762 -0.652 0.000 1.437 1030 H HN 0.517 nan 8.280 nan 0.000 0.550 1031 G N 0.417 108.715 108.800 -0.836 0.000 2.351 1031 G HA2 -0.045 3.916 3.960 0.001 0.000 0.353 1031 G HA3 -0.045 3.916 3.960 0.001 0.000 0.353 1031 G C -1.258 173.687 174.900 0.074 0.000 1.358 1031 G CA -1.165 43.464 45.100 -0.785 0.000 0.995 1031 G HN 0.034 nan 8.290 nan 0.000 0.611 1032 K N -0.539 120.059 120.400 0.330 0.000 2.270 1032 K HA 0.548 4.869 4.320 0.001 0.000 0.276 1032 K C -0.194 176.724 176.600 0.530 0.000 1.023 1032 K CA -0.401 56.104 56.287 0.362 0.000 0.955 1032 K CB 1.673 34.315 32.500 0.237 0.000 0.975 1032 K HN 0.355 nan 8.250 nan 0.000 0.471 1033 V N 4.061 124.182 119.914 0.344 0.000 2.540 1033 V HA 0.250 4.370 4.120 0.001 0.000 0.302 1033 V C -0.687 175.588 176.094 0.300 0.000 1.035 1033 V CA -1.019 61.472 62.300 0.318 0.000 0.873 1033 V CB 1.736 33.766 31.823 0.346 0.000 0.992 1033 V HN 0.572 nan 8.190 nan 0.000 0.428 1034 L N 4.682 126.058 121.223 0.256 0.000 2.287 1034 L HA 0.841 5.182 4.340 0.001 0.000 0.287 1034 L C 0.323 177.270 176.870 0.128 0.000 1.022 1034 L CA 0.497 55.448 54.840 0.184 0.000 0.814 1034 L CB 0.904 43.009 42.059 0.076 0.000 1.217 1034 L HN 0.771 nan 8.230 nan 0.000 0.420 1035 G N 5.051 113.803 108.800 -0.080 0.000 3.008 1035 G HA2 0.589 4.550 3.960 0.001 0.000 0.181 1035 G HA3 0.589 4.550 3.960 0.001 0.000 0.181 1035 G C -1.154 173.422 174.900 -0.541 0.000 1.309 1035 G CA -0.517 44.199 45.100 -0.640 0.000 1.009 1035 G HN 0.743 nan 8.290 nan 0.000 0.584 1036 K N -1.226 118.783 120.400 -0.652 0.000 2.502 1036 K HA 0.576 4.896 4.320 0.001 0.000 0.257 1036 K C -1.810 174.545 176.600 -0.409 0.000 0.938 1036 K CA -0.808 55.227 56.287 -0.420 0.000 0.819 1036 K CB 1.920 34.267 32.500 -0.254 0.000 1.333 1036 K HN 0.277 nan 8.250 nan 0.000 0.434 1037 F N 1.679 121.557 119.950 -0.122 0.000 2.394 1037 F HA 0.423 4.950 4.527 0.001 0.000 0.340 1037 F C -0.288 175.487 175.800 -0.041 0.000 1.105 1037 F CA -0.690 57.269 58.000 -0.068 0.000 1.124 1037 F CB 1.921 40.905 39.000 -0.027 0.000 1.145 1037 F HN 0.117 nan 8.300 nan 0.000 0.505 1038 V N 2.883 122.928 119.914 0.220 0.000 2.569 1038 V HA 0.280 4.401 4.120 0.001 0.000 0.301 1038 V C -0.572 175.598 176.094 0.127 0.000 1.044 1038 V CA -0.718 61.661 62.300 0.133 0.000 0.874 1038 V CB 1.889 33.773 31.823 0.100 0.000 1.002 1038 V HN 0.718 nan 8.190 nan 0.000 0.424 1039 S N 4.275 120.033 115.700 0.097 0.000 2.489 1039 S HA 0.712 5.183 4.470 0.001 0.000 0.291 1039 S C -0.566 174.082 174.600 0.080 0.000 1.151 1039 S CA -0.361 57.889 58.200 0.084 0.000 1.082 1039 S CB 1.403 64.646 63.200 0.072 0.000 1.019 1039 S HN 0.558 nan 8.310 nan 0.000 0.492 1040 L N 2.894 124.158 121.223 0.069 0.000 2.322 1040 L HA 0.543 4.883 4.340 0.001 0.000 0.279 1040 L C 0.046 177.027 176.870 0.185 0.000 1.036 1040 L CA -0.561 54.318 54.840 0.065 0.000 0.807 1040 L CB 1.134 43.128 42.059 -0.110 0.000 1.226 1040 L HN 0.572 nan 8.230 nan 0.000 0.433 1041 E N 3.007 123.325 120.200 0.197 0.000 2.652 1041 E HA 0.320 4.671 4.350 0.001 0.000 0.255 1041 E C 0.881 177.674 176.600 0.320 0.000 0.952 1041 E CA 1.562 58.093 56.400 0.218 0.000 0.947 1041 E CB -0.022 29.794 29.700 0.194 0.000 0.912 1041 E HN 0.884 nan 8.360 nan 0.000 0.489 1042 G N 3.738 112.665 108.800 0.212 0.000 2.225 1042 G HA2 -0.266 3.695 3.960 0.001 0.000 0.264 1042 G HA3 -0.266 3.695 3.960 0.001 0.000 0.264 1042 G C -0.424 174.483 174.900 0.011 0.000 1.060 1042 G CA 0.102 45.266 45.100 0.106 0.000 0.833 1042 G HN 0.338 nan 8.290 nan 0.000 0.498 1043 F N -0.829 119.119 119.950 -0.003 0.000 2.617 1043 F HA 0.650 5.177 4.527 0.001 0.000 0.325 1043 F C 1.067 176.861 175.800 -0.010 0.000 1.179 1043 F CA -0.145 57.845 58.000 -0.016 0.000 0.965 1043 F CB 1.287 40.283 39.000 -0.006 0.000 1.232 1043 F HN 0.169 nan 8.300 nan 0.000 0.461 1044 A N 2.035 124.911 122.820 0.092 0.000 1.829 1044 A HA -0.176 4.145 4.320 0.001 0.000 0.216 1044 A C 1.115 178.734 177.584 0.058 0.000 1.207 1044 A CA 1.228 53.294 52.037 0.049 0.000 0.622 1044 A CB -0.648 18.355 19.000 0.007 0.000 0.846 1044 A HN 0.653 nan 8.150 nan 0.000 0.447 1045 Q N 1.656 121.501 119.800 0.075 0.000 2.244 1045 Q HA 0.218 4.559 4.340 0.001 0.000 0.276 1045 Q C -2.320 173.725 176.000 0.074 0.000 1.122 1045 Q CA -1.952 53.883 55.803 0.053 0.000 0.920 1045 Q CB 0.247 29.032 28.738 0.079 0.000 1.186 1045 Q HN 0.433 nan 8.270 nan 0.000 0.393 1046 P HA 0.061 nan 4.420 nan 0.000 0.274 1046 P C -0.880 176.523 177.300 0.171 0.000 1.231 1046 P CA -0.329 62.799 63.100 0.048 0.000 0.790 1046 P CB 0.945 32.602 31.700 -0.072 0.000 0.951 1047 V N 1.944 121.982 119.914 0.206 0.000 2.583 1047 V HA 0.360 4.481 4.120 0.001 0.000 0.287 1047 V C 0.912 177.192 176.094 0.311 0.000 1.051 1047 V CA -0.499 61.950 62.300 0.249 0.000 1.010 1047 V CB 0.636 32.574 31.823 0.192 0.000 0.988 1047 V HN 0.742 nan 8.190 nan 0.000 0.478 1048 A N 6.594 129.587 122.820 0.287 0.000 2.320 1048 A HA 0.734 5.055 4.320 0.001 0.000 0.287 1048 A C -0.423 177.093 177.584 -0.113 0.000 1.181 1048 A CA -0.294 51.744 52.037 0.002 0.000 0.831 1048 A CB -0.030 19.053 19.000 0.139 0.000 1.102 1048 A HN 0.773 nan 8.150 nan 0.000 0.513 1049 I N 2.487 122.777 120.570 -0.467 0.000 2.406 1049 I HA 0.398 4.569 4.170 0.001 0.000 0.290 1049 I C -1.337 174.327 176.117 -0.755 0.000 0.999 1049 I CA -0.267 60.739 61.300 -0.489 0.000 1.124 1049 I CB 1.607 39.379 38.000 -0.380 0.000 1.289 1049 I HN 0.549 nan 8.210 nan 0.000 0.441 1050 F N 6.650 126.470 119.950 -0.216 0.000 2.449 1050 F HA 0.538 5.065 4.527 0.001 0.000 0.342 1050 F C -0.316 175.367 175.800 -0.194 0.000 1.127 1050 F CA -0.610 57.317 58.000 -0.123 0.000 0.975 1050 F CB 1.279 40.322 39.000 0.071 0.000 1.146 1050 F HN 0.087 nan 8.300 nan 0.000 0.444 1051 L N 2.797 123.968 121.223 -0.087 0.000 2.313 1051 L HA 0.679 5.020 4.340 0.001 0.000 0.283 1051 L C 0.644 177.470 176.870 -0.073 0.000 1.013 1051 L CA -0.902 53.858 54.840 -0.133 0.000 0.816 1051 L CB 1.615 43.457 42.059 -0.361 0.000 1.236 1051 L HN 0.915 nan 8.230 nan 0.000 0.419 1052 G N 3.653 112.448 108.800 -0.008 0.000 2.248 1052 G HA2 -0.222 3.738 3.960 0.001 0.000 0.252 1052 G HA3 -0.222 3.738 3.960 0.001 0.000 0.252 1052 G C -0.239 174.770 174.900 0.182 0.000 1.085 1052 G CA -0.503 44.596 45.100 -0.000 0.000 0.845 1052 G HN 0.499 nan 8.290 nan 0.000 0.494 1053 I N 2.235 122.888 120.570 0.139 0.000 2.371 1053 I HA 0.249 4.420 4.170 0.001 0.000 0.290 1053 I C -1.406 174.715 176.117 0.008 0.000 1.028 1053 I CA -2.177 59.155 61.300 0.053 0.000 1.345 1053 I CB 1.323 39.282 38.000 -0.068 0.000 1.407 1053 I HN 0.014 nan 8.210 nan 0.000 0.501 1054 P HA 0.069 nan 4.420 nan 0.000 0.280 1054 P C -0.353 176.802 177.300 -0.242 0.000 1.244 1054 P CA -0.053 62.795 63.100 -0.420 0.000 0.784 1054 P CB 0.659 32.127 31.700 -0.387 0.000 0.913 1055 F N 0.945 120.681 119.950 -0.357 0.000 2.688 1055 F HA 0.762 5.289 4.527 0.001 0.000 0.310 1055 F C -0.113 175.674 175.800 -0.023 0.000 1.098 1055 F CA -0.892 56.965 58.000 -0.239 0.000 1.228 1055 F CB 0.184 38.970 39.000 -0.356 0.000 1.042 1055 F HN 0.402 nan 8.300 nan 0.000 0.557 1056 A N 0.791 123.339 122.820 -0.453 0.000 2.586 1056 A HA 0.530 4.850 4.320 0.001 0.000 0.290 1056 A C -1.359 176.030 177.584 -0.324 0.000 1.086 1056 A CA -1.126 50.720 52.037 -0.318 0.000 0.665 1056 A CB 0.900 19.634 19.000 -0.444 0.000 1.279 1056 A HN 0.264 nan 8.150 nan 0.000 0.423 1057 K N 0.884 121.164 120.400 -0.199 0.000 2.298 1057 K HA 0.468 4.789 4.320 0.001 0.000 0.280 1057 K C -2.475 174.006 176.600 -0.199 0.000 1.032 1057 K CA -1.342 54.843 56.287 -0.171 0.000 0.958 1057 K CB 0.425 32.864 32.500 -0.102 0.000 0.978 1057 K HN 0.301 nan 8.250 nan 0.000 0.472 1058 P HA -0.044 nan 4.420 nan 0.000 0.256 1058 P C -2.337 174.878 177.300 -0.141 0.000 1.173 1058 P CA -0.745 62.255 63.100 -0.168 0.000 0.768 1058 P CB 0.185 31.818 31.700 -0.111 0.000 0.758 1059 P HA -0.003 nan 4.420 nan 0.000 0.262 1059 P C -0.405 176.809 177.300 -0.143 0.000 1.647 1059 P CA 0.505 63.517 63.100 -0.146 0.000 0.865 1059 P CB -0.025 31.587 31.700 -0.147 0.000 1.834 1060 L N -0.724 120.428 121.223 -0.118 0.000 2.431 1060 L HA 0.532 4.872 4.340 0.001 0.000 0.260 1060 L C 1.758 178.566 176.870 -0.103 0.000 1.098 1060 L CA -0.151 54.627 54.840 -0.103 0.000 0.800 1060 L CB -0.004 42.007 42.059 -0.079 0.000 1.210 1060 L HN 0.239 nan 8.230 nan 0.000 0.465 1061 G N 1.166 109.911 108.800 -0.092 0.000 2.634 1061 G HA2 -0.292 3.669 3.960 0.001 0.000 0.309 1061 G HA3 -0.292 3.669 3.960 0.001 0.000 0.309 1061 G C -1.327 173.512 174.900 -0.102 0.000 1.265 1061 G CA 0.316 45.366 45.100 -0.084 0.000 0.998 1061 G HN 0.643 nan 8.290 nan 0.000 0.551 1062 P HA 0.026 nan 4.420 nan 0.000 0.231 1062 P C 1.777 179.025 177.300 -0.086 0.000 1.158 1062 P CA 1.188 64.252 63.100 -0.059 0.000 0.763 1062 P CB -0.100 31.585 31.700 -0.025 0.000 0.805 1063 L N -1.087 120.067 121.223 -0.115 0.000 2.591 1063 L HA 0.121 4.462 4.340 0.001 0.000 0.228 1063 L C 1.706 178.432 176.870 -0.240 0.000 1.133 1063 L CA -0.224 54.530 54.840 -0.143 0.000 0.880 1063 L CB -0.401 41.586 42.059 -0.120 0.000 1.033 1063 L HN -0.067 nan 8.230 nan 0.000 0.450 1064 R N 0.609 120.927 120.500 -0.303 0.000 2.491 1064 R HA 0.021 4.362 4.340 0.001 0.000 0.283 1064 R C -0.236 175.685 176.300 -0.633 0.000 1.072 1064 R CA -0.198 55.560 56.100 -0.569 0.000 1.048 1064 R CB 0.253 30.118 30.300 -0.724 0.000 0.983 1064 R HN 0.053 nan 8.270 nan 0.000 0.450 1065 F N 0.091 119.659 119.950 -0.636 0.000 3.058 1065 F HA -0.261 4.267 4.527 0.001 0.000 0.295 1065 F C 0.048 174.903 175.800 -1.575 0.000 0.875 1065 F CA 1.412 58.664 58.000 -1.246 0.000 1.150 1065 F CB -2.525 36.194 39.000 -0.468 0.000 1.175 1065 F HN 0.668 nan 8.300 nan 0.000 0.599 1066 T N -3.350 110.575 114.554 -1.047 0.000 2.883 1066 T HA 0.779 5.130 4.350 0.001 0.000 0.301 1066 T C -3.027 171.539 174.700 -0.222 0.000 1.158 1066 T CA -2.432 59.324 62.100 -0.574 0.000 1.007 1066 T CB 3.340 72.073 68.868 -0.225 0.000 1.186 1066 T HN -0.244 nan 8.240 nan 0.000 0.499 1067 P HA 0.229 nan 4.420 nan 0.000 0.267 1067 P C -2.334 175.029 177.300 0.105 0.000 1.200 1067 P CA -0.806 62.432 63.100 0.230 0.000 0.772 1067 P CB -0.190 31.643 31.700 0.222 0.000 0.855 1068 P HA 0.068 nan 4.420 nan 0.000 0.268 1068 P C -0.679 176.658 177.300 0.062 0.000 1.205 1068 P CA 0.200 63.338 63.100 0.064 0.000 0.771 1068 P CB 0.737 32.503 31.700 0.110 0.000 0.858 1069 Q N 3.033 122.842 119.800 0.015 0.000 2.248 1069 Q HA 0.465 4.806 4.340 0.001 0.000 0.263 1069 Q C -2.252 173.766 176.000 0.029 0.000 1.007 1069 Q CA -2.075 53.744 55.803 0.027 0.000 0.877 1069 Q CB 0.954 29.694 28.738 0.002 0.000 1.315 1069 Q HN 0.346 nan 8.270 nan 0.000 0.454 1070 P HA -0.017 nan 4.420 nan 0.000 0.267 1070 P C -1.471 175.815 177.300 -0.023 0.000 1.200 1070 P CA 0.157 63.307 63.100 0.085 0.000 0.772 1070 P CB 0.550 32.317 31.700 0.112 0.000 0.855 1071 A N 2.414 125.173 122.820 -0.101 0.000 2.322 1071 A HA 0.237 4.558 4.320 0.001 0.000 0.269 1071 A C 0.212 177.610 177.584 -0.309 0.000 1.094 1071 A CA -0.415 51.503 52.037 -0.199 0.000 0.807 1071 A CB 0.061 18.981 19.000 -0.133 0.000 1.047 1071 A HN 0.435 nan 8.150 nan 0.000 0.487 1072 E N 2.471 122.595 120.200 -0.126 0.000 2.324 1072 E HA 0.231 4.582 4.350 0.001 0.000 0.271 1072 E C -2.154 174.434 176.600 -0.021 0.000 1.028 1072 E CA -1.555 54.803 56.400 -0.070 0.000 0.890 1072 E CB 0.368 30.072 29.700 0.006 0.000 1.004 1072 E HN 0.448 nan 8.360 nan 0.000 0.431 1073 P HA 0.064 nan 4.420 nan 0.000 0.271 1073 P C -0.727 176.570 177.300 -0.005 0.000 1.216 1073 P CA -0.292 62.699 63.100 -0.182 0.000 0.776 1073 P CB 0.240 31.861 31.700 -0.132 0.000 0.881 1074 W N 1.300 122.626 121.300 0.043 0.000 2.512 1074 W HA 0.547 5.208 4.660 0.001 0.000 0.335 1074 W C 0.786 177.287 176.519 -0.029 0.000 1.088 1074 W CA -0.708 56.650 57.345 0.022 0.000 1.236 1074 W CB -0.279 29.219 29.460 0.064 0.000 1.307 1074 W HN 0.162 nan 8.180 nan 0.000 0.567 1075 S N 0.916 116.677 115.700 0.101 0.000 2.406 1075 S HA -0.006 4.465 4.470 0.001 0.000 0.228 1075 S C 0.551 174.894 174.600 -0.430 0.000 1.020 1075 S CA 0.891 58.937 58.200 -0.255 0.000 0.965 1075 S CB -0.290 62.643 63.200 -0.445 0.000 0.798 1075 S HN 0.497 nan 8.310 nan 0.000 0.488 1076 F N -0.396 119.693 119.950 0.232 0.000 2.853 1076 F HA 0.473 5.001 4.527 0.001 0.000 0.155 1076 F C -0.105 175.859 175.800 0.272 0.000 1.549 1076 F CA -0.859 57.255 58.000 0.190 0.000 1.037 1076 F CB 0.071 39.145 39.000 0.123 0.000 1.935 1076 F HN -0.305 nan 8.300 nan 0.000 0.257 1077 V N 1.236 121.419 119.914 0.448 0.000 2.378 1077 V HA 0.290 4.411 4.120 0.001 0.000 0.288 1077 V C -0.558 175.645 176.094 0.183 0.000 1.016 1077 V CA -1.013 61.473 62.300 0.311 0.000 0.840 1077 V CB 1.272 33.220 31.823 0.209 0.000 0.994 1077 V HN 0.324 nan 8.190 nan 0.000 0.431 1078 K N 4.010 124.460 120.400 0.084 0.000 2.258 1078 K HA 0.336 4.657 4.320 0.001 0.000 0.284 1078 K C -0.238 176.327 176.600 -0.058 0.000 1.051 1078 K CA -0.496 55.687 56.287 -0.174 0.000 0.923 1078 K CB 0.479 32.530 32.500 -0.748 0.000 1.046 1078 K HN 0.627 nan 8.250 nan 0.000 0.474 1079 N N 2.625 121.288 118.700 -0.061 0.000 2.401 1079 N HA 0.140 4.881 4.740 0.001 0.000 0.255 1079 N C -0.922 174.554 175.510 -0.055 0.000 1.110 1079 N CA -0.135 52.893 53.050 -0.036 0.000 0.949 1079 N CB 1.673 40.130 38.487 -0.050 0.000 1.110 1079 N HN 0.555 nan 8.380 nan 0.000 0.490 1080 A N 1.798 124.619 122.820 0.002 0.000 3.016 1080 A HA 0.326 4.646 4.320 0.001 0.000 0.303 1080 A C 0.670 178.197 177.584 -0.095 0.000 1.507 1080 A CA -0.508 51.526 52.037 -0.004 0.000 1.196 1080 A CB -0.655 18.443 19.000 0.163 0.000 1.169 1080 A HN 0.625 nan 8.150 nan 0.000 0.544 1081 T N -2.989 111.476 114.554 -0.147 0.000 3.209 1081 T HA 0.353 4.704 4.350 0.001 0.000 0.295 1081 T C 0.170 174.719 174.700 -0.251 0.000 0.977 1081 T CA 0.007 61.983 62.100 -0.206 0.000 0.922 1081 T CB -0.016 68.756 68.868 -0.161 0.000 1.152 1081 T HN 0.267 nan 8.240 nan 0.000 0.527 1082 S N 0.828 116.378 115.700 -0.250 0.000 2.538 1082 S HA 0.598 5.069 4.470 0.001 0.000 0.288 1082 S C -1.336 173.110 174.600 -0.258 0.000 1.108 1082 S CA -0.781 57.272 58.200 -0.244 0.000 0.971 1082 S CB 0.928 64.034 63.200 -0.157 0.000 1.041 1082 S HN 0.287 nan 8.310 nan 0.000 0.483 1083 Y N 3.862 124.096 120.300 -0.111 0.000 2.632 1083 Y HA 0.168 4.719 4.550 0.001 0.000 0.329 1083 Y C -1.489 174.301 175.900 -0.183 0.000 1.174 1083 Y CA -1.135 56.896 58.100 -0.115 0.000 1.469 1083 Y CB -0.119 38.291 38.460 -0.084 0.000 1.242 1083 Y HN 0.393 nan 8.280 nan 0.000 0.540 1084 P HA 0.147 nan 4.420 nan 0.000 0.272 1084 P C -2.674 174.517 177.300 -0.181 0.000 1.230 1084 P CA -1.492 61.415 63.100 -0.321 0.000 0.788 1084 P CB 0.644 32.075 31.700 -0.450 0.000 0.949 1085 P HA 0.189 nan 4.420 nan 0.000 0.272 1085 P C -0.093 177.142 177.300 -0.108 0.000 1.230 1085 P CA -0.018 62.996 63.100 -0.142 0.000 0.788 1085 P CB 0.213 31.826 31.700 -0.145 0.000 0.949 1086 M N -0.063 119.467 119.600 -0.117 0.000 2.367 1086 M HA 0.462 4.943 4.480 0.001 0.000 0.339 1086 M C -0.589 175.622 176.300 -0.147 0.000 1.177 1086 M CA -0.569 54.659 55.300 -0.120 0.000 1.068 1086 M CB 0.450 32.963 32.600 -0.144 0.000 1.602 1086 M HN 0.118 nan 8.290 nan 0.000 0.457 1087 c N 1.797 120.307 118.600 -0.149 0.000 2.692 1087 c HA 0.098 4.669 4.570 0.001 0.000 0.409 1087 c C 0.977 174.879 174.090 -0.312 0.000 1.284 1087 c CA -0.168 56.027 56.329 -0.224 0.000 1.909 1087 c CB -0.428 41.972 42.510 -0.183 0.000 2.713 1087 c HN 0.868 nan 8.230 nan 0.000 0.649 1088 T N 4.059 118.281 114.554 -0.555 0.000 2.905 1088 T HA 0.316 4.667 4.350 0.001 0.000 0.299 1088 T C -0.022 174.427 174.700 -0.418 0.000 1.024 1088 T CA 0.418 62.121 62.100 -0.661 0.000 1.151 1088 T CB -0.120 67.937 68.868 -1.353 0.000 0.987 1088 T HN 0.881 nan 8.240 nan 0.000 0.535 1089 Q N 0.839 120.533 119.800 -0.177 0.000 2.874 1089 Q HA 0.286 4.627 4.340 0.001 0.000 0.303 1089 Q C -1.703 174.312 176.000 0.026 0.000 0.876 1089 Q CA -1.156 54.649 55.803 0.003 0.000 0.765 1089 Q CB 0.758 29.490 28.738 -0.011 0.000 1.478 1089 Q HN 0.367 nan 8.270 nan 0.000 0.434 1090 D N 2.408 122.850 120.400 0.070 0.000 2.402 1090 D HA 0.029 4.670 4.640 0.001 0.000 0.268 1090 D C -1.199 175.104 176.300 0.005 0.000 1.294 1090 D CA -1.307 52.723 54.000 0.051 0.000 0.945 1090 D CB 1.007 41.845 40.800 0.063 0.000 1.112 1090 D HN 0.316 nan 8.370 nan 0.000 0.517 1091 P HA -0.209 nan 4.420 nan 0.000 0.216 1091 P C 1.051 178.332 177.300 -0.033 0.000 1.153 1091 P CA 1.286 64.367 63.100 -0.031 0.000 0.858 1091 P CB 0.451 32.133 31.700 -0.030 0.000 0.789 1092 K N 0.105 120.493 120.400 -0.020 0.000 1.973 1092 K HA -0.069 4.251 4.320 0.001 0.000 0.212 1092 K C 2.499 179.079 176.600 -0.034 0.000 1.047 1092 K CA 1.477 57.749 56.287 -0.024 0.000 0.937 1092 K CB -0.936 31.556 32.500 -0.013 0.000 0.721 1092 K HN -0.008 nan 8.250 nan 0.000 0.440 1093 A N 1.573 124.378 122.820 -0.025 0.000 1.896 1093 A HA -0.218 4.102 4.320 0.001 0.000 0.220 1093 A C 2.445 179.993 177.584 -0.061 0.000 1.206 1093 A CA 2.436 54.452 52.037 -0.036 0.000 0.647 1093 A CB -1.623 17.371 19.000 -0.010 0.000 0.828 1093 A HN 0.501 nan 8.150 nan 0.000 0.455 1094 G N -1.328 107.439 108.800 -0.055 0.000 2.480 1094 G HA2 -0.323 3.637 3.960 0.001 0.000 0.216 1094 G HA3 -0.323 3.637 3.960 0.001 0.000 0.216 1094 G C 1.640 176.478 174.900 -0.103 0.000 1.200 1094 G CA 1.156 46.208 45.100 -0.081 0.000 0.782 1094 G HN 0.645 nan 8.290 nan 0.000 0.554 1095 Q N -0.394 119.353 119.800 -0.089 0.000 2.135 1095 Q HA -0.135 4.206 4.340 0.001 0.000 0.204 1095 Q C 2.489 178.435 176.000 -0.091 0.000 0.981 1095 Q CA 1.476 57.224 55.803 -0.092 0.000 0.856 1095 Q CB -0.216 28.480 28.738 -0.071 0.000 0.902 1095 Q HN 0.421 nan 8.270 nan 0.000 0.425 1096 L N 0.668 121.842 121.223 -0.082 0.000 1.994 1096 L HA -0.171 4.170 4.340 0.001 0.000 0.208 1096 L C 2.245 179.039 176.870 -0.125 0.000 1.071 1096 L CA 1.709 56.501 54.840 -0.080 0.000 0.745 1096 L CB -0.948 41.069 42.059 -0.071 0.000 0.892 1096 L HN 0.381 nan 8.230 nan 0.000 0.431 1097 L N -0.876 120.239 121.223 -0.181 0.000 2.046 1097 L HA -0.177 4.163 4.340 0.001 0.000 0.208 1097 L C 2.695 179.393 176.870 -0.287 0.000 1.077 1097 L CA 2.064 56.712 54.840 -0.320 0.000 0.747 1097 L CB -0.890 40.967 42.059 -0.337 0.000 0.896 1097 L HN 0.483 nan 8.230 nan 0.000 0.432 1098 S N -0.756 114.824 115.700 -0.201 0.000 2.387 1098 S HA -0.250 4.221 4.470 0.001 0.000 0.230 1098 S C 1.833 176.342 174.600 -0.153 0.000 1.035 1098 S CA 1.814 59.895 58.200 -0.198 0.000 1.014 1098 S CB -0.331 62.755 63.200 -0.191 0.000 0.836 1098 S HN 0.690 nan 8.310 nan 0.000 0.466 1099 E N 0.371 120.511 120.200 -0.100 0.000 2.046 1099 E HA -0.041 4.309 4.350 0.001 0.000 0.190 1099 E C 2.079 178.709 176.600 0.049 0.000 0.982 1099 E CA 1.156 57.535 56.400 -0.034 0.000 0.800 1099 E CB -0.299 29.392 29.700 -0.015 0.000 0.756 1099 E HN 0.453 nan 8.360 nan 0.000 0.449 1100 L N 0.033 121.287 121.223 0.052 0.000 2.456 1100 L HA -0.115 4.226 4.340 0.001 0.000 0.224 1100 L C 1.598 178.757 176.870 0.482 0.000 1.148 1100 L CA 0.613 55.579 54.840 0.210 0.000 0.825 1100 L CB 0.025 42.148 42.059 0.106 0.000 0.937 1100 L HN 0.104 nan 8.230 nan 0.000 0.450 1101 F N -1.850 118.091 119.950 -0.015 0.000 2.711 1101 F HA 0.168 4.696 4.527 0.001 0.000 0.296 1101 F C 1.618 177.144 175.800 -0.456 0.000 1.096 1101 F CA -0.552 57.328 58.000 -0.200 0.000 1.280 1101 F CB -0.613 38.281 39.000 -0.176 0.000 1.060 1101 F HN -0.251 nan 8.300 nan 0.000 0.608 1102 T N 2.681 117.118 114.554 -0.196 0.000 2.923 1102 T HA -0.108 4.243 4.350 0.001 0.000 0.304 1102 T C 1.297 175.822 174.700 -0.292 0.000 1.044 1102 T CA 0.452 62.343 62.100 -0.349 0.000 1.141 1102 T CB 0.169 68.894 68.868 -0.237 0.000 1.023 1102 T HN 0.401 nan 8.240 nan 0.000 0.533 1103 N N 4.383 122.853 118.700 -0.384 0.000 2.280 1103 N HA 0.002 4.743 4.740 0.001 0.000 0.192 1103 N C 0.450 175.847 175.510 -0.189 0.000 1.109 1103 N CA -0.277 52.595 53.050 -0.297 0.000 0.855 1103 N CB 0.057 38.359 38.487 -0.309 0.000 0.974 1103 N HN 0.739 nan 8.380 nan 0.000 0.482 1104 R N 0.525 120.927 120.500 -0.164 0.000 2.549 1104 R HA 0.348 4.689 4.340 0.001 0.000 0.267 1104 R C 1.001 177.265 176.300 -0.060 0.000 1.045 1104 R CA -0.731 55.312 56.100 -0.095 0.000 1.115 1104 R CB 0.701 30.950 30.300 -0.084 0.000 1.121 1104 R HN -0.150 nan 8.270 nan 0.000 0.543 1105 K N 0.340 120.727 120.400 -0.023 0.000 2.026 1105 K HA -0.179 4.142 4.320 0.001 0.000 0.208 1105 K C -0.019 176.581 176.600 0.000 0.000 1.048 1105 K CA 1.584 57.873 56.287 0.004 0.000 0.929 1105 K CB -0.314 32.200 32.500 0.023 0.000 0.713 1105 K HN 0.792 nan 8.250 nan 0.000 0.439 1106 E N 0.952 121.145 120.200 -0.010 0.000 2.133 1106 E HA 0.146 4.496 4.350 0.001 0.000 0.274 1106 E C -1.076 175.494 176.600 -0.051 0.000 0.930 1106 E CA -0.826 55.563 56.400 -0.018 0.000 0.770 1106 E CB 1.018 30.715 29.700 -0.006 0.000 1.104 1106 E HN 0.283 nan 8.360 nan 0.000 0.403 1107 N N 4.397 123.062 118.700 -0.059 0.000 2.483 1107 N HA 0.022 4.763 4.740 0.001 0.000 0.264 1107 N C -0.377 175.065 175.510 -0.114 0.000 1.197 1107 N CA -0.511 52.478 53.050 -0.101 0.000 0.927 1107 N CB 0.499 38.934 38.487 -0.087 0.000 1.065 1107 N HN 0.495 nan 8.380 nan 0.000 0.461 1108 I N 5.670 126.132 120.570 -0.180 0.000 2.352 1108 I HA 0.211 4.382 4.170 0.001 0.000 0.290 1108 I C -1.765 174.245 176.117 -0.178 0.000 1.036 1108 I CA -2.166 59.017 61.300 -0.195 0.000 1.336 1108 I CB 0.599 38.373 38.000 -0.376 0.000 1.407 1108 I HN 0.462 nan 8.210 nan 0.000 0.497 1109 P HA 0.319 nan 4.420 nan 0.000 0.276 1109 P C -0.735 176.504 177.300 -0.101 0.000 1.235 1109 P CA -0.186 62.855 63.100 -0.098 0.000 0.772 1109 P CB 1.387 33.048 31.700 -0.065 0.000 0.871 1110 L N 1.995 123.152 121.223 -0.110 0.000 2.298 1110 L HA 0.582 4.923 4.340 0.001 0.000 0.268 1110 L C 0.627 177.444 176.870 -0.088 0.000 1.010 1110 L CA -1.210 53.568 54.840 -0.104 0.000 0.812 1110 L CB 1.054 43.035 42.059 -0.130 0.000 1.331 1110 L HN 0.222 nan 8.230 nan 0.000 0.450 1111 K N 0.342 120.688 120.400 -0.090 0.000 2.166 1111 K HA 0.661 4.981 4.320 0.001 0.000 0.245 1111 K C -1.186 175.350 176.600 -0.107 0.000 0.967 1111 K CA -0.366 55.867 56.287 -0.089 0.000 0.863 1111 K CB 1.436 33.885 32.500 -0.085 0.000 1.107 1111 K HN 0.345 nan 8.250 nan 0.000 0.436 1112 L N 1.050 122.207 121.223 -0.110 0.000 2.325 1112 L HA 0.640 4.980 4.340 0.001 0.000 0.278 1112 L C -0.358 176.420 176.870 -0.153 0.000 1.023 1112 L CA -0.570 54.186 54.840 -0.141 0.000 0.811 1112 L CB 1.856 43.831 42.059 -0.139 0.000 1.249 1112 L HN 0.624 nan 8.230 nan 0.000 0.431 1113 S N 0.502 116.084 115.700 -0.197 0.000 2.586 1113 S HA 0.166 4.636 4.470 0.001 0.000 0.277 1113 S C -0.033 174.411 174.600 -0.260 0.000 1.131 1113 S CA -0.592 57.491 58.200 -0.195 0.000 0.848 1113 S CB 1.438 64.562 63.200 -0.127 0.000 1.091 1113 S HN 0.754 nan 8.310 nan 0.000 0.453 1114 E N 0.736 120.778 120.200 -0.262 0.000 2.358 1114 E HA -0.023 4.327 4.350 0.001 0.000 0.195 1114 E C -0.376 176.120 176.600 -0.173 0.000 1.010 1114 E CA 0.411 56.631 56.400 -0.300 0.000 0.856 1114 E CB 0.105 29.666 29.700 -0.232 0.000 0.795 1114 E HN 0.487 nan 8.360 nan 0.000 0.504 1115 D N 0.381 120.718 120.400 -0.103 0.000 2.494 1115 D HA 0.015 4.656 4.640 0.001 0.000 0.217 1115 D C -0.004 176.366 176.300 0.117 0.000 1.153 1115 D CA -0.381 53.612 54.000 -0.012 0.000 0.954 1115 D CB 0.002 40.814 40.800 0.021 0.000 1.034 1115 D HN 0.140 nan 8.370 nan 0.000 0.518 1116 c N 2.214 120.856 118.600 0.071 0.000 3.772 1116 c HA 0.362 4.933 4.570 0.001 0.000 0.293 1116 c C 0.829 175.013 174.090 0.157 0.000 1.659 1116 c CA -0.679 55.759 56.329 0.183 0.000 1.810 1116 c CB -1.328 41.188 42.510 0.010 0.000 3.059 1116 c HN 0.440 nan 8.230 nan 0.000 0.617 1117 L N 2.371 123.465 121.223 -0.216 0.000 2.376 1117 L HA 0.320 4.660 4.340 0.001 0.000 0.250 1117 L C -0.738 175.617 176.870 -0.858 0.000 1.335 1117 L CA 0.681 55.173 54.840 -0.579 0.000 1.214 1117 L CB -0.951 40.568 42.059 -0.901 0.000 1.395 1117 L HN 0.395 nan 8.230 nan 0.000 0.424 1118 Y N 1.450 121.723 120.300 -0.045 0.000 2.602 1118 Y HA 0.701 5.252 4.550 0.001 0.000 0.342 1118 Y C -0.071 175.989 175.900 0.267 0.000 1.029 1118 Y CA -1.317 56.826 58.100 0.071 0.000 1.080 1118 Y CB 1.890 40.345 38.460 -0.008 0.000 1.284 1118 Y HN 0.131 nan 8.280 nan 0.000 0.485 1119 L N -0.225 121.172 121.223 0.290 0.000 2.393 1119 L HA 0.735 5.076 4.340 0.001 0.000 0.260 1119 L C -1.430 175.500 176.870 0.101 0.000 1.002 1119 L CA -1.196 53.736 54.840 0.153 0.000 0.818 1119 L CB 1.776 43.807 42.059 -0.047 0.000 1.369 1119 L HN 0.394 nan 8.230 nan 0.000 0.412 1120 N N 2.011 120.804 118.700 0.154 0.000 2.372 1120 N HA 0.660 5.401 4.740 0.001 0.000 0.291 1120 N C -1.105 174.486 175.510 0.135 0.000 1.024 1120 N CA -0.187 52.943 53.050 0.133 0.000 0.873 1120 N CB 2.422 41.059 38.487 0.249 0.000 1.206 1120 N HN 0.675 nan 8.380 nan 0.000 0.486 1121 I N 2.015 122.592 120.570 0.012 0.000 2.412 1121 I HA 0.323 4.494 4.170 0.001 0.000 0.296 1121 I C -0.919 175.201 176.117 0.005 0.000 0.987 1121 I CA -0.749 60.585 61.300 0.056 0.000 1.180 1121 I CB 1.016 38.925 38.000 -0.153 0.000 1.340 1121 I HN 0.333 nan 8.210 nan 0.000 0.455 1122 Y N 3.187 123.612 120.300 0.208 0.000 2.349 1122 Y HA 0.328 4.879 4.550 0.001 0.000 0.324 1122 Y C 0.171 176.201 175.900 0.217 0.000 1.005 1122 Y CA -0.618 57.608 58.100 0.209 0.000 1.240 1122 Y CB 2.045 40.606 38.460 0.168 0.000 1.117 1122 Y HN 0.357 nan 8.280 nan 0.000 0.463 1123 T N 5.254 120.035 114.554 0.379 0.000 2.809 1123 T HA 0.344 4.695 4.350 0.001 0.000 0.284 1123 T C -2.208 172.665 174.700 0.288 0.000 0.992 1123 T CA -2.300 60.001 62.100 0.335 0.000 0.957 1123 T CB 1.288 70.395 68.868 0.398 0.000 0.942 1123 T HN 0.345 nan 8.240 nan 0.000 0.439 1124 P HA 0.278 nan 4.420 nan 0.000 0.255 1124 P C 0.284 177.693 177.300 0.182 0.000 1.248 1124 P CA -0.156 63.055 63.100 0.185 0.000 0.807 1124 P CB 0.083 31.864 31.700 0.135 0.000 1.150 1125 A N 0.705 123.644 122.820 0.199 0.000 2.313 1125 A HA 0.231 4.551 4.320 0.001 0.000 0.261 1125 A C -0.041 177.653 177.584 0.184 0.000 1.090 1125 A CA -0.159 51.981 52.037 0.172 0.000 0.807 1125 A CB -0.224 18.876 19.000 0.167 0.000 1.055 1125 A HN -0.062 nan 8.150 nan 0.000 0.492 1126 D N 1.169 121.654 120.400 0.141 0.000 2.479 1126 D HA 0.327 4.968 4.640 0.001 0.000 0.218 1126 D C 1.060 177.439 176.300 0.133 0.000 1.131 1126 D CA -0.128 53.952 54.000 0.134 0.000 0.916 1126 D CB -0.192 40.659 40.800 0.085 0.000 1.022 1126 D HN 0.408 nan 8.370 nan 0.000 0.515 1127 L N 2.135 123.463 121.223 0.176 0.000 2.270 1127 L HA -0.205 4.136 4.340 0.001 0.000 0.217 1127 L C 2.044 178.968 176.870 0.089 0.000 1.107 1127 L CA 1.531 56.451 54.840 0.133 0.000 0.772 1127 L CB -0.883 41.272 42.059 0.159 0.000 0.902 1127 L HN 0.488 nan 8.230 nan 0.000 0.439 1128 T N -3.740 110.871 114.554 0.095 0.000 3.284 1128 T HA 0.098 4.449 4.350 0.001 0.000 0.252 1128 T C 0.599 175.328 174.700 0.048 0.000 1.144 1128 T CA 0.021 62.160 62.100 0.066 0.000 1.021 1128 T CB -0.010 68.898 68.868 0.066 0.000 0.984 1128 T HN 0.115 nan 8.240 nan 0.000 0.545 1129 K N 0.575 121.004 120.400 0.049 0.000 2.283 1129 K HA 0.418 4.738 4.320 0.001 0.000 0.257 1129 K C -0.793 175.827 176.600 0.034 0.000 1.066 1129 K CA -0.932 55.377 56.287 0.038 0.000 0.891 1129 K CB 1.342 33.867 32.500 0.042 0.000 1.438 1129 K HN -0.076 nan 8.250 nan 0.000 0.464 1130 K N 2.217 122.633 120.400 0.027 0.000 2.403 1130 K HA 0.195 4.515 4.320 0.001 0.000 0.235 1130 K C -1.005 175.613 176.600 0.031 0.000 1.142 1130 K CA 0.001 56.301 56.287 0.022 0.000 1.114 1130 K CB -0.517 31.990 32.500 0.012 0.000 1.777 1130 K HN 0.460 nan 8.250 nan 0.000 0.424 1131 N N 1.029 119.757 118.700 0.046 0.000 2.530 1131 N HA 0.156 4.897 4.740 0.001 0.000 0.277 1131 N C -0.402 175.141 175.510 0.055 0.000 1.168 1131 N CA -0.237 52.846 53.050 0.055 0.000 0.979 1131 N CB 0.825 39.358 38.487 0.078 0.000 1.141 1131 N HN 0.190 nan 8.380 nan 0.000 0.459 1132 R N 1.922 122.451 120.500 0.048 0.000 2.701 1132 R HA 0.305 4.645 4.340 0.001 0.000 0.281 1132 R C -1.128 175.199 176.300 0.045 0.000 1.367 1132 R CA -0.278 55.848 56.100 0.043 0.000 1.510 1132 R CB 0.060 30.373 30.300 0.022 0.000 1.306 1132 R HN 0.472 nan 8.270 nan 0.000 0.682 1133 L N 2.054 123.316 121.223 0.065 0.000 2.452 1133 L HA 0.403 4.744 4.340 0.001 0.000 0.267 1133 L C -1.617 175.291 176.870 0.063 0.000 1.188 1133 L CA -1.831 53.048 54.840 0.065 0.000 0.821 1133 L CB 0.257 42.368 42.059 0.087 0.000 1.102 1133 L HN 0.132 nan 8.230 nan 0.000 0.470 1134 P HA 0.063 nan 4.420 nan 0.000 0.269 1134 P C -0.893 176.451 177.300 0.074 0.000 1.215 1134 P CA -0.138 62.989 63.100 0.046 0.000 0.780 1134 P CB 1.050 32.762 31.700 0.020 0.000 0.898 1135 V N 3.953 123.921 119.914 0.090 0.000 2.513 1135 V HA 0.419 4.540 4.120 0.001 0.000 0.299 1135 V C 0.502 176.675 176.094 0.133 0.000 1.035 1135 V CA -0.435 61.940 62.300 0.125 0.000 0.889 1135 V CB 1.349 33.258 31.823 0.143 0.000 0.988 1135 V HN 0.490 nan 8.190 nan 0.000 0.440 1136 M N 4.571 124.275 119.600 0.174 0.000 2.093 1136 M HA 0.472 4.953 4.480 0.001 0.000 0.297 1136 M C -1.179 175.433 176.300 0.519 0.000 0.938 1136 M CA -0.531 54.913 55.300 0.239 0.000 0.920 1136 M CB 1.972 34.568 32.600 -0.007 0.000 1.517 1136 M HN 0.373 nan 8.290 nan 0.000 0.427 1137 V N 3.266 123.480 119.914 0.501 0.000 2.383 1137 V HA 0.296 4.417 4.120 0.001 0.000 0.275 1137 V C -0.627 175.672 176.094 0.342 0.000 1.036 1137 V CA -0.515 62.010 62.300 0.375 0.000 0.889 1137 V CB 1.032 32.962 31.823 0.178 0.000 0.985 1137 V HN 0.844 nan 8.190 nan 0.000 0.459 1138 W N 6.993 128.261 121.300 -0.054 0.000 2.361 1138 W HA 0.580 5.241 4.660 0.002 0.000 0.309 1138 W C -1.159 175.191 176.519 -0.281 0.000 1.122 1138 W CA -0.961 56.082 57.345 -0.503 0.000 1.208 1138 W CB 1.329 30.483 29.460 -0.510 0.000 1.246 1138 W HN 0.452 nan 8.180 nan 0.000 0.490 1139 I N 7.545 127.428 120.570 -1.145 0.000 2.347 1139 I HA 0.016 4.187 4.170 0.001 0.000 0.283 1139 I C 0.525 175.925 176.117 -1.194 0.000 1.058 1139 I CA -0.809 59.962 61.300 -0.880 0.000 1.202 1139 I CB 0.337 37.939 38.000 -0.665 0.000 1.386 1139 I HN 0.453 nan 8.210 nan 0.000 0.475 1140 H N 3.979 122.655 119.070 -0.658 0.000 2.929 1140 H HA 0.377 4.934 4.556 0.002 0.000 0.358 1140 H C 0.556 175.872 175.328 -0.020 0.000 1.111 1140 H CA -0.148 55.751 56.048 -0.248 0.000 1.409 1140 H CB 0.447 30.379 29.762 0.284 0.000 1.373 1140 H HN 0.548 nan 8.280 nan 0.000 0.610 1141 G N -0.761 108.186 108.800 0.246 0.000 2.531 1141 G HA2 0.482 4.442 3.960 0.001 0.000 0.281 1141 G HA3 0.482 4.442 3.960 0.001 0.000 0.281 1141 G C 0.458 175.606 174.900 0.414 0.000 1.382 1141 G CA -0.983 44.266 45.100 0.248 0.000 1.045 1141 G HN 1.498 nan 8.290 nan 0.000 0.533 1142 G N -2.980 105.998 108.800 0.296 0.000 2.363 1142 G HA2 0.404 4.365 3.960 0.001 0.000 0.213 1142 G HA3 0.404 4.365 3.960 0.001 0.000 0.213 1142 G C 1.070 176.049 174.900 0.130 0.000 1.028 1142 G CA 0.745 45.977 45.100 0.219 0.000 0.822 1142 G HN 2.295 nan 8.290 nan 0.000 0.536 1143 G N 0.179 109.043 108.800 0.106 0.000 2.212 1143 G HA2 -0.196 3.765 3.960 0.001 0.000 0.267 1143 G HA3 -0.196 3.765 3.960 0.001 0.000 0.267 1143 G C 1.123 175.990 174.900 -0.055 0.000 1.002 1143 G CA 0.819 45.929 45.100 0.016 0.000 0.729 1143 G HN 1.782 nan 8.290 nan 0.000 0.517 1144 L N -3.494 117.735 121.223 0.009 0.000 4.496 1144 L HA -0.253 4.087 4.340 0.001 0.000 0.419 1144 L C 1.878 178.774 176.870 0.043 0.000 1.139 1144 L CA 1.457 56.289 54.840 -0.015 0.000 0.975 1144 L CB -1.551 40.220 42.059 -0.480 0.000 2.099 1144 L HN 0.424 nan 8.230 nan 0.000 0.818 1145 M N -1.326 118.311 119.600 0.060 0.000 2.564 1145 M HA 0.353 4.833 4.480 0.001 0.000 0.254 1145 M C 0.709 177.073 176.300 0.107 0.000 1.299 1145 M CA 1.173 56.523 55.300 0.084 0.000 1.143 1145 M CB 0.827 33.450 32.600 0.038 0.000 1.427 1145 M HN 0.216 nan 8.290 nan 0.000 0.538 1146 V N -2.709 117.260 119.914 0.091 0.000 3.202 1146 V HA 1.043 5.164 4.120 0.001 0.000 0.306 1146 V C -0.438 175.710 176.094 0.089 0.000 1.283 1146 V CA -0.160 62.173 62.300 0.056 0.000 1.065 1146 V CB 1.425 33.260 31.823 0.021 0.000 1.079 1146 V HN 0.516 nan 8.190 nan 0.000 0.448 1147 G N -0.595 108.191 108.800 -0.024 0.000 2.353 1147 G HA2 0.701 4.662 3.960 0.001 0.000 0.424 1147 G HA3 0.701 4.662 3.960 0.001 0.000 0.424 1147 G C -0.710 173.862 174.900 -0.547 0.000 1.320 1147 G CA -0.098 44.903 45.100 -0.166 0.000 0.995 1147 G HN 2.751 nan 8.290 nan 0.000 0.580 1148 A N -1.761 120.496 122.820 -0.939 0.000 2.597 1148 A HA 0.999 5.320 4.320 0.001 0.000 0.292 1148 A C 0.551 177.964 177.584 -0.285 0.000 1.057 1148 A CA 0.723 52.418 52.037 -0.570 0.000 0.674 1148 A CB 0.706 19.544 19.000 -0.271 0.000 1.278 1148 A HN 2.524 nan 8.150 nan 0.000 0.416 1149 A N 0.048 122.887 122.820 0.031 0.000 2.030 1149 A HA 0.261 4.582 4.320 0.001 0.000 0.215 1149 A C 1.844 179.570 177.584 0.237 0.000 1.164 1149 A CA 1.946 54.161 52.037 0.296 0.000 0.697 1149 A CB -0.531 18.668 19.000 0.333 0.000 0.827 1149 A HN 1.131 nan 8.150 nan 0.000 0.457 1150 S N -0.161 115.585 115.700 0.077 0.000 2.474 1150 S HA -0.102 4.369 4.470 0.001 0.000 0.235 1150 S C 1.839 176.310 174.600 -0.214 0.000 0.997 1150 S CA 1.460 59.638 58.200 -0.036 0.000 0.949 1150 S CB -0.386 62.687 63.200 -0.212 0.000 0.766 1150 S HN 0.655 nan 8.310 nan 0.000 0.517 1151 T N 0.965 115.368 114.554 -0.251 0.000 2.788 1151 T HA -0.057 4.293 4.350 0.001 0.000 0.268 1151 T C -0.066 174.213 174.700 -0.702 0.000 1.044 1151 T CA 1.078 62.869 62.100 -0.515 0.000 1.139 1151 T CB -0.225 68.241 68.868 -0.669 0.000 0.867 1151 T HN 0.397 nan 8.240 nan 0.000 0.454 1152 Y N 1.709 121.824 120.300 -0.309 0.000 2.350 1152 Y HA 0.428 4.979 4.550 0.001 0.000 0.340 1152 Y C 0.125 175.805 175.900 -0.368 0.000 1.006 1152 Y CA -1.938 55.812 58.100 -0.584 0.000 1.166 1152 Y CB 0.423 38.242 38.460 -1.070 0.000 1.168 1152 Y HN -0.089 nan 8.280 nan 0.000 0.502 1153 D N 2.267 122.520 120.400 -0.245 0.000 2.313 1153 D HA 0.196 4.836 4.640 0.001 0.000 0.239 1153 D C 0.994 177.094 176.300 -0.334 0.000 1.142 1153 D CA -0.149 53.727 54.000 -0.207 0.000 0.847 1153 D CB 1.675 42.420 40.800 -0.091 0.000 1.082 1153 D HN 0.840 nan 8.370 nan 0.000 0.480 1154 G N 3.285 111.473 108.800 -1.021 0.000 2.712 1154 G HA2 -0.153 3.807 3.960 0.001 0.000 0.212 1154 G HA3 -0.153 3.807 3.960 0.001 0.000 0.212 1154 G C 1.410 176.036 174.900 -0.457 0.000 1.142 1154 G CA 0.064 44.692 45.100 -0.787 0.000 0.789 1154 G HN 0.500 nan 8.290 nan 0.000 0.535 1155 L N 1.791 122.806 121.223 -0.347 0.000 1.997 1155 L HA -0.221 4.120 4.340 0.001 0.000 0.227 1155 L C 2.997 179.802 176.870 -0.109 0.000 1.087 1155 L CA 2.661 57.484 54.840 -0.028 0.000 0.797 1155 L CB -0.930 41.159 42.059 0.050 0.000 0.902 1155 L HN 0.249 nan 8.230 nan 0.000 0.441 1156 A N -0.912 121.816 122.820 -0.153 0.000 1.834 1156 A HA -0.258 4.062 4.320 0.001 0.000 0.216 1156 A C 2.258 179.661 177.584 -0.303 0.000 1.203 1156 A CA 2.232 54.105 52.037 -0.272 0.000 0.621 1156 A CB -1.379 17.465 19.000 -0.260 0.000 0.841 1156 A HN 0.561 nan 8.150 nan 0.000 0.446 1157 L N -0.170 120.897 121.223 -0.260 0.000 2.043 1157 L HA -0.173 4.168 4.340 0.001 0.000 0.212 1157 L C 2.648 179.449 176.870 -0.115 0.000 1.075 1157 L CA 2.494 57.200 54.840 -0.224 0.000 0.752 1157 L CB -0.952 40.937 42.059 -0.283 0.000 0.891 1157 L HN 0.420 nan 8.230 nan 0.000 0.432 1158 A N -0.536 122.238 122.820 -0.077 0.000 1.865 1158 A HA -0.150 4.171 4.320 0.001 0.000 0.217 1158 A C 2.455 180.037 177.584 -0.004 0.000 1.191 1158 A CA 2.340 54.385 52.037 0.013 0.000 0.623 1158 A CB -1.290 17.768 19.000 0.098 0.000 0.826 1158 A HN 0.620 nan 8.150 nan 0.000 0.444 1159 A N -1.316 121.444 122.820 -0.101 0.000 1.872 1159 A HA -0.075 4.246 4.320 0.001 0.000 0.214 1159 A C 2.021 179.554 177.584 -0.084 0.000 1.187 1159 A CA 1.845 53.746 52.037 -0.226 0.000 0.614 1159 A CB -0.875 17.707 19.000 -0.697 0.000 0.826 1159 A HN 0.615 nan 8.150 nan 0.000 0.442 1160 H N -0.170 118.744 119.070 -0.261 0.000 2.353 1160 H HA -0.007 4.550 4.556 0.001 0.000 0.300 1160 H C 1.202 176.536 175.328 0.010 0.000 1.090 1160 H CA 1.704 57.724 56.048 -0.048 0.000 1.327 1160 H CB 0.193 29.819 29.762 -0.227 0.000 1.383 1160 H HN 0.375 nan 8.280 nan 0.000 0.508 1161 E N 0.029 120.283 120.200 0.091 0.000 2.501 1161 E HA 0.051 4.402 4.350 0.001 0.000 0.201 1161 E C -0.245 176.388 176.600 0.056 0.000 1.016 1161 E CA -0.207 56.228 56.400 0.057 0.000 0.920 1161 E CB -0.105 29.611 29.700 0.027 0.000 1.023 1161 E HN 0.296 nan 8.360 nan 0.000 0.474 1162 N N 0.672 119.416 118.700 0.072 0.000 2.667 1162 N HA -0.175 4.566 4.740 0.001 0.000 0.263 1162 N C -1.009 174.543 175.510 0.071 0.000 1.038 1162 N CA 0.791 53.889 53.050 0.079 0.000 0.749 1162 N CB -1.035 37.499 38.487 0.079 0.000 0.892 1162 N HN 0.085 nan 8.380 nan 0.000 0.546 1163 V N -2.568 117.389 119.914 0.071 0.000 3.007 1163 V HA 0.758 4.879 4.120 0.001 0.000 0.311 1163 V C 0.285 176.447 176.094 0.113 0.000 1.120 1163 V CA -1.104 61.242 62.300 0.076 0.000 0.980 1163 V CB 2.277 34.126 31.823 0.044 0.000 1.033 1163 V HN -0.073 nan 8.190 nan 0.000 0.429 1164 V N 3.510 123.506 119.914 0.137 0.000 2.432 1164 V HA 0.380 4.501 4.120 0.001 0.000 0.271 1164 V C 0.196 176.412 176.094 0.203 0.000 1.046 1164 V CA -0.153 62.258 62.300 0.186 0.000 0.945 1164 V CB 1.186 33.121 31.823 0.187 0.000 0.992 1164 V HN 0.737 nan 8.190 nan 0.000 0.471 1165 V N 6.325 126.392 119.914 0.254 0.000 2.427 1165 V HA 0.499 4.620 4.120 0.001 0.000 0.286 1165 V C -0.101 176.221 176.094 0.379 0.000 1.034 1165 V CA -0.455 62.024 62.300 0.299 0.000 0.893 1165 V CB 1.833 33.793 31.823 0.228 0.000 0.982 1165 V HN 0.598 nan 8.190 nan 0.000 0.452 1166 V N 3.637 123.770 119.914 0.365 0.000 2.531 1166 V HA 0.538 4.658 4.120 0.001 0.000 0.301 1166 V C 0.071 176.371 176.094 0.344 0.000 1.034 1166 V CA -0.559 61.934 62.300 0.321 0.000 0.865 1166 V CB 2.242 34.196 31.823 0.218 0.000 0.995 1166 V HN 0.983 nan 8.190 nan 0.000 0.424 1167 T N 3.064 117.832 114.554 0.356 0.000 2.821 1167 T HA 0.721 5.072 4.350 0.001 0.000 0.307 1167 T C -0.318 174.551 174.700 0.282 0.000 1.034 1167 T CA -0.451 61.869 62.100 0.366 0.000 0.953 1167 T CB 0.764 69.888 68.868 0.427 0.000 0.968 1167 T HN 0.657 nan 8.240 nan 0.000 0.462 1168 I N 0.615 121.315 120.570 0.216 0.000 2.797 1168 I HA 0.611 4.782 4.170 0.001 0.000 0.310 1168 I C -0.365 175.953 176.117 0.334 0.000 0.990 1168 I CA -1.035 60.371 61.300 0.177 0.000 1.228 1168 I CB 1.238 39.234 38.000 -0.006 0.000 1.406 1168 I HN 0.523 nan 8.210 nan 0.000 0.534 1169 Q N 2.284 122.322 119.800 0.396 0.000 2.413 1169 Q HA 0.544 4.885 4.340 0.001 0.000 0.276 1169 Q C -1.853 174.439 176.000 0.487 0.000 1.099 1169 Q CA -0.788 55.269 55.803 0.423 0.000 0.814 1169 Q CB 2.804 31.725 28.738 0.305 0.000 1.379 1169 Q HN 0.740 nan 8.270 nan 0.000 0.436 1170 Y N -2.509 117.945 120.300 0.256 0.000 2.597 1170 Y HA 0.544 5.095 4.550 0.002 0.000 0.340 1170 Y C -0.836 175.160 175.900 0.160 0.000 1.097 1170 Y CA -1.449 56.769 58.100 0.195 0.000 1.037 1170 Y CB 0.808 39.337 38.460 0.115 0.000 1.305 1170 Y HN 0.417 nan 8.280 nan 0.000 0.463 1171 R N 2.002 122.589 120.500 0.145 0.000 2.640 1171 R HA 0.387 4.728 4.340 0.001 0.000 0.270 1171 R C -0.796 175.591 176.300 0.144 0.000 1.024 1171 R CA 0.133 56.285 56.100 0.088 0.000 1.085 1171 R CB 0.241 30.618 30.300 0.128 0.000 0.963 1171 R HN 0.698 nan 8.270 nan 0.000 0.426 1172 L N 1.082 122.411 121.223 0.176 0.000 2.271 1172 L HA 0.510 4.851 4.340 0.001 0.000 0.265 1172 L C 1.311 178.480 176.870 0.498 0.000 1.013 1172 L CA -0.560 54.469 54.840 0.315 0.000 0.820 1172 L CB 1.330 43.474 42.059 0.140 0.000 1.352 1172 L HN 0.887 nan 8.230 nan 0.000 0.443 1173 G N 0.344 109.423 108.800 0.466 0.000 2.627 1173 G HA2 -0.335 3.625 3.960 0.001 0.000 0.312 1173 G HA3 -0.335 3.625 3.960 0.001 0.000 0.312 1173 G C 0.836 176.023 174.900 0.478 0.000 1.299 1173 G CA 0.676 46.032 45.100 0.427 0.000 0.989 1173 G HN 0.647 nan 8.290 nan 0.000 0.547 1174 I N -0.656 120.120 120.570 0.343 0.000 2.127 1174 I HA -0.205 3.966 4.170 0.001 0.000 0.241 1174 I C 2.850 179.202 176.117 0.392 0.000 1.075 1174 I CA 2.429 63.867 61.300 0.231 0.000 1.334 1174 I CB -0.404 37.480 38.000 -0.194 0.000 1.040 1174 I HN 0.579 nan 8.210 nan 0.000 0.405 1175 W N 0.789 122.272 121.300 0.304 0.000 2.313 1175 W HA -0.168 4.493 4.660 0.001 0.000 0.293 1175 W C 2.197 178.851 176.519 0.225 0.000 1.216 1175 W CA 1.351 58.780 57.345 0.140 0.000 1.223 1175 W CB -0.860 28.595 29.460 -0.008 0.000 1.138 1175 W HN 0.284 nan 8.180 nan 0.000 0.535 1176 G N -3.026 106.060 108.800 0.477 0.000 3.192 1176 G HA2 0.165 4.126 3.960 0.001 0.000 0.239 1176 G HA3 0.165 4.126 3.960 0.001 0.000 0.239 1176 G C 0.490 175.163 174.900 -0.378 0.000 1.084 1176 G CA -0.102 45.089 45.100 0.152 0.000 0.784 1176 G HN 0.113 nan 8.290 nan 0.000 0.540 1177 F N -0.890 119.319 119.950 0.432 0.000 2.960 1177 F HA 0.402 4.930 4.527 0.001 0.000 0.345 1177 F C 0.249 176.149 175.800 0.166 0.000 1.147 1177 F CA -1.630 56.460 58.000 0.150 0.000 1.099 1177 F CB 0.285 39.306 39.000 0.035 0.000 1.219 1177 F HN 0.021 nan 8.300 nan 0.000 0.525 1178 F N 2.060 122.231 119.950 0.368 0.000 2.578 1178 F HA 0.369 4.897 4.527 0.002 0.000 0.376 1178 F C 0.465 176.363 175.800 0.164 0.000 1.085 1178 F CA 0.456 58.572 58.000 0.195 0.000 1.260 1178 F CB 0.490 39.494 39.000 0.007 0.000 1.095 1178 F HN -0.083 nan 8.300 nan 0.000 0.573 1179 S N 3.323 118.573 115.700 -0.750 0.000 2.536 1179 S HA 0.376 4.847 4.470 0.001 0.000 0.271 1179 S C 0.143 174.344 174.600 -0.664 0.000 1.134 1179 S CA -0.080 57.783 58.200 -0.563 0.000 0.897 1179 S CB 1.488 64.514 63.200 -0.291 0.000 1.094 1179 S HN 0.803 nan 8.310 nan 0.000 0.473 1180 T N 0.460 114.770 114.554 -0.406 0.000 3.092 1180 T HA 0.430 4.781 4.350 0.001 0.000 0.258 1180 T C 1.463 176.090 174.700 -0.122 0.000 1.031 1180 T CA 0.504 62.456 62.100 -0.246 0.000 0.925 1180 T CB 0.032 68.844 68.868 -0.093 0.000 1.036 1180 T HN 1.834 nan 8.240 nan 0.000 0.544 1181 G N 2.358 111.082 108.800 -0.127 0.000 2.189 1181 G HA2 -0.232 3.729 3.960 0.001 0.000 0.267 1181 G HA3 -0.232 3.729 3.960 0.001 0.000 0.267 1181 G C -0.268 174.603 174.900 -0.049 0.000 0.975 1181 G CA 0.456 45.506 45.100 -0.084 0.000 0.644 1181 G HN 0.907 nan 8.290 nan 0.000 0.537 1182 D N -1.563 118.822 120.400 -0.026 0.000 2.636 1182 D HA 0.448 5.088 4.640 0.001 0.000 0.275 1182 D C 1.258 177.540 176.300 -0.030 0.000 1.130 1182 D CA -0.187 53.803 54.000 -0.017 0.000 1.031 1182 D CB -0.098 40.717 40.800 0.026 0.000 1.451 1182 D HN 0.132 nan 8.370 nan 0.000 0.505 1183 E N -0.134 120.001 120.200 -0.109 0.000 2.396 1183 E HA -0.242 4.109 4.350 0.001 0.000 0.200 1183 E C 0.650 177.164 176.600 -0.143 0.000 1.023 1183 E CA 1.138 57.456 56.400 -0.137 0.000 0.857 1183 E CB -0.576 29.008 29.700 -0.194 0.000 0.775 1183 E HN 0.504 nan 8.360 nan 0.000 0.525 1184 H N 0.377 119.498 119.070 0.084 0.000 2.529 1184 H HA 0.148 4.705 4.556 0.001 0.000 0.277 1184 H C 0.399 175.832 175.328 0.174 0.000 0.999 1184 H CA 1.132 57.245 56.048 0.109 0.000 1.256 1184 H CB 0.503 30.314 29.762 0.082 0.000 1.402 1184 H HN 0.161 nan 8.280 nan 0.000 0.566 1185 S N -0.227 115.642 115.700 0.281 0.000 2.855 1185 S HA 0.152 4.623 4.470 0.001 0.000 0.140 1185 S C 0.836 175.598 174.600 0.270 0.000 1.025 1185 S CA -0.584 57.879 58.200 0.439 0.000 1.053 1185 S CB 0.020 63.438 63.200 0.362 0.000 1.695 1185 S HN 0.169 nan 8.310 nan 0.000 0.502 1186 R N 1.432 122.037 120.500 0.175 0.000 2.115 1186 R HA 0.130 4.471 4.340 0.001 0.000 0.239 1186 R C 1.463 177.556 176.300 -0.345 0.000 1.133 1186 R CA 1.725 57.766 56.100 -0.098 0.000 0.935 1186 R CB -0.401 29.830 30.300 -0.115 0.000 0.853 1186 R HN 0.927 nan 8.270 nan 0.000 0.433 1187 G N -1.390 106.847 108.800 -0.938 0.000 2.373 1187 G HA2 -0.169 3.792 3.960 0.001 0.000 0.634 1187 G HA3 -0.169 3.792 3.960 0.001 0.000 0.634 1187 G C -0.772 173.297 174.900 -1.385 0.000 1.267 1187 G CA -0.366 43.957 45.100 -1.295 0.000 1.008 1187 G HN 0.265 nan 8.290 nan 0.000 0.497 1188 N N -1.129 117.048 118.700 -0.873 0.000 2.776 1188 N HA -0.195 4.546 4.740 0.001 0.000 0.250 1188 N C 1.258 176.433 175.510 -0.559 0.000 1.112 1188 N CA 1.882 54.636 53.050 -0.493 0.000 0.733 1188 N CB -1.572 36.833 38.487 -0.137 0.000 1.097 1188 N HN 0.718 nan 8.380 nan 0.000 0.558 1189 W N 0.621 121.764 121.300 -0.262 0.000 2.304 1189 W HA -0.175 4.486 4.660 0.002 0.000 0.315 1189 W C 2.497 178.869 176.519 -0.244 0.000 1.233 1189 W CA 0.894 58.136 57.345 -0.172 0.000 1.261 1189 W CB -0.807 28.596 29.460 -0.095 0.000 1.150 1189 W HN 0.297 nan 8.180 nan 0.000 0.494 1190 G N 0.108 108.637 108.800 -0.452 0.000 2.491 1190 G HA2 -0.300 3.661 3.960 0.001 0.000 0.218 1190 G HA3 -0.300 3.661 3.960 0.001 0.000 0.218 1190 G C 1.216 176.065 174.900 -0.084 0.000 1.180 1190 G CA 1.536 46.474 45.100 -0.270 0.000 0.774 1190 G HN 0.299 nan 8.290 nan 0.000 0.562 1191 H N 0.417 119.458 119.070 -0.048 0.000 2.387 1191 H HA 0.049 4.606 4.556 0.001 0.000 0.299 1191 H C 2.767 178.087 175.328 -0.012 0.000 1.090 1191 H CA 0.941 56.966 56.048 -0.039 0.000 1.332 1191 H CB -0.422 29.324 29.762 -0.026 0.000 1.386 1191 H HN 0.263 nan 8.280 nan 0.000 0.516 1192 L N 0.464 121.768 121.223 0.134 0.000 2.046 1192 L HA -0.186 4.155 4.340 0.001 0.000 0.208 1192 L C 2.180 179.159 176.870 0.182 0.000 1.077 1192 L CA 1.201 56.129 54.840 0.148 0.000 0.747 1192 L CB -0.338 41.831 42.059 0.183 0.000 0.896 1192 L HN 0.139 nan 8.230 nan 0.000 0.432 1193 D N -0.113 120.415 120.400 0.212 0.000 2.104 1193 D HA -0.206 4.435 4.640 0.001 0.000 0.194 1193 D C 2.307 178.773 176.300 0.276 0.000 0.994 1193 D CA 1.204 55.399 54.000 0.324 0.000 0.830 1193 D CB -0.196 40.816 40.800 0.353 0.000 0.959 1193 D HN 0.430 nan 8.370 nan 0.000 0.452 1194 Q N 0.249 120.130 119.800 0.135 0.000 2.061 1194 Q HA -0.109 4.232 4.340 0.001 0.000 0.204 1194 Q C 2.471 178.451 176.000 -0.033 0.000 0.984 1194 Q CA 1.014 56.806 55.803 -0.017 0.000 0.846 1194 Q CB -0.152 28.512 28.738 -0.123 0.000 0.902 1194 Q HN 0.160 nan 8.270 nan 0.000 0.421 1195 V N 1.297 121.228 119.914 0.029 0.000 2.287 1195 V HA -0.320 3.801 4.120 0.001 0.000 0.248 1195 V C 2.362 178.499 176.094 0.072 0.000 1.053 1195 V CA 1.843 64.168 62.300 0.043 0.000 1.027 1195 V CB -1.153 30.713 31.823 0.073 0.000 0.646 1195 V HN 0.433 nan 8.190 nan 0.000 0.447 1196 A N 0.189 123.091 122.820 0.136 0.000 1.873 1196 A HA -0.235 4.086 4.320 0.001 0.000 0.218 1196 A C 2.458 180.118 177.584 0.128 0.000 1.193 1196 A CA 2.559 54.727 52.037 0.220 0.000 0.629 1196 A CB -0.996 18.238 19.000 0.390 0.000 0.826 1196 A HN 0.624 nan 8.150 nan 0.000 0.447 1197 A N -0.490 122.179 122.820 -0.252 0.000 1.940 1197 A HA -0.077 4.244 4.320 0.001 0.000 0.219 1197 A C 2.176 179.689 177.584 -0.118 0.000 1.176 1197 A CA 1.572 53.199 52.037 -0.683 0.000 0.631 1197 A CB -0.621 17.674 19.000 -1.174 0.000 0.814 1197 A HN 0.504 nan 8.150 nan 0.000 0.446 1198 L N -1.050 120.141 121.223 -0.053 0.000 2.083 1198 L HA -0.203 4.138 4.340 0.001 0.000 0.209 1198 L C 2.859 179.788 176.870 0.099 0.000 1.083 1198 L CA 1.422 56.284 54.840 0.036 0.000 0.752 1198 L CB -0.472 41.604 42.059 0.028 0.000 0.899 1198 L HN 0.403 nan 8.230 nan 0.000 0.433 1199 R N -1.239 119.332 120.500 0.118 0.000 2.092 1199 R HA -0.201 4.140 4.340 0.001 0.000 0.231 1199 R C 2.054 178.437 176.300 0.138 0.000 1.119 1199 R CA 1.576 57.747 56.100 0.119 0.000 0.970 1199 R CB -0.538 29.840 30.300 0.130 0.000 0.864 1199 R HN 0.391 nan 8.270 nan 0.000 0.440 1200 W N 1.586 122.913 121.300 0.045 0.000 2.335 1200 W HA -0.237 4.424 4.660 0.001 0.000 0.311 1200 W C 1.862 178.405 176.519 0.040 0.000 1.213 1200 W CA 1.469 58.858 57.345 0.072 0.000 1.274 1200 W CB -0.261 29.264 29.460 0.108 0.000 1.148 1200 W HN -0.243 nan 8.180 nan 0.000 0.498 1201 V N 1.037 121.120 119.914 0.282 0.000 2.332 1201 V HA -0.364 3.757 4.120 0.001 0.000 0.248 1201 V C 2.538 178.609 176.094 -0.039 0.000 1.055 1201 V CA 2.163 64.544 62.300 0.136 0.000 1.038 1201 V CB -1.101 30.840 31.823 0.196 0.000 0.651 1201 V HN 0.222 nan 8.190 nan 0.000 0.450 1202 Q N -0.158 119.640 119.800 -0.003 0.000 2.084 1202 Q HA -0.186 4.155 4.340 0.001 0.000 0.202 1202 Q C 1.910 177.852 176.000 -0.097 0.000 0.978 1202 Q CA 1.569 57.364 55.803 -0.014 0.000 0.844 1202 Q CB -0.627 28.123 28.738 0.020 0.000 0.898 1202 Q HN 0.627 nan 8.270 nan 0.000 0.426 1203 D N -0.335 119.960 120.400 -0.174 0.000 2.347 1203 D HA -0.001 4.640 4.640 0.001 0.000 0.213 1203 D C 0.909 176.978 176.300 -0.385 0.000 0.985 1203 D CA 0.396 54.249 54.000 -0.246 0.000 0.879 1203 D CB 0.214 40.871 40.800 -0.237 0.000 0.919 1203 D HN 0.272 nan 8.370 nan 0.000 0.526 1204 N N -0.406 117.967 118.700 -0.546 0.000 2.200 1204 N HA -0.002 4.739 4.740 0.001 0.000 0.233 1204 N C 1.539 176.882 175.510 -0.280 0.000 1.236 1204 N CA -0.233 52.459 53.050 -0.597 0.000 0.845 1204 N CB 0.691 38.380 38.487 -1.329 0.000 1.257 1204 N HN -0.032 nan 8.380 nan 0.000 0.472 1205 I N 2.940 123.375 120.570 -0.225 0.000 2.381 1205 I HA -0.237 3.934 4.170 0.001 0.000 0.255 1205 I C 2.141 178.347 176.117 0.149 0.000 1.140 1205 I CA 0.817 62.139 61.300 0.037 0.000 1.404 1205 I CB -0.309 37.723 38.000 0.053 0.000 1.075 1205 I HN 0.136 nan 8.210 nan 0.000 0.433 1206 A N -1.141 121.707 122.820 0.048 0.000 1.978 1206 A HA -0.208 4.113 4.320 0.001 0.000 0.220 1206 A C 2.379 179.997 177.584 0.056 0.000 1.170 1206 A CA 2.043 54.106 52.037 0.043 0.000 0.636 1206 A CB -0.943 18.050 19.000 -0.012 0.000 0.810 1206 A HN 0.454 nan 8.150 nan 0.000 0.448 1207 S N -1.278 114.447 115.700 0.042 0.000 2.603 1207 S HA 0.083 4.554 4.470 0.001 0.000 0.229 1207 S C 0.227 174.674 174.600 -0.255 0.000 0.972 1207 S CA 0.497 58.622 58.200 -0.125 0.000 0.935 1207 S CB -0.382 62.658 63.200 -0.268 0.000 0.769 1207 S HN 0.549 nan 8.310 nan 0.000 0.536 1208 F N 0.237 120.177 119.950 -0.017 0.000 2.735 1208 F HA 0.388 4.916 4.527 0.001 0.000 0.304 1208 F C 1.463 177.310 175.800 0.079 0.000 1.119 1208 F CA -0.378 57.637 58.000 0.025 0.000 1.280 1208 F CB 0.202 39.217 39.000 0.024 0.000 0.994 1208 F HN 0.147 nan 8.300 nan 0.000 0.520 1209 G N 0.417 109.331 108.800 0.191 0.000 2.148 1209 G HA2 -0.177 3.784 3.960 0.001 0.000 0.254 1209 G HA3 -0.177 3.784 3.960 0.001 0.000 0.254 1209 G C 0.617 175.602 174.900 0.142 0.000 0.981 1209 G CA -0.124 45.065 45.100 0.147 0.000 0.670 1209 G HN 0.774 nan 8.290 nan 0.000 0.528 1210 G N -0.576 108.319 108.800 0.159 0.000 2.477 1210 G HA2 0.511 4.472 3.960 0.001 0.000 0.304 1210 G HA3 0.511 4.472 3.960 0.001 0.000 0.304 1210 G C -0.281 174.669 174.900 0.085 0.000 1.175 1210 G CA -0.029 45.147 45.100 0.127 0.000 0.907 1210 G HN 0.650 nan 8.290 nan 0.000 0.509 1211 N N 1.052 119.792 118.700 0.067 0.000 2.546 1211 N HA 0.318 5.059 4.740 0.001 0.000 0.238 1211 N C -1.033 174.505 175.510 0.046 0.000 0.984 1211 N CA -2.329 50.744 53.050 0.038 0.000 0.935 1211 N CB 2.025 40.520 38.487 0.014 0.000 1.122 1211 N HN 0.097 nan 8.380 nan 0.000 0.510 1212 P HA -0.102 nan 4.420 nan 0.000 0.220 1212 P C 1.006 178.372 177.300 0.109 0.000 1.144 1212 P CA 0.965 64.108 63.100 0.072 0.000 0.800 1212 P CB 0.122 31.843 31.700 0.035 0.000 0.772 1213 G N -0.832 107.972 108.800 0.006 0.000 2.650 1213 G HA2 -0.069 3.892 3.960 0.001 0.000 0.214 1213 G HA3 -0.069 3.892 3.960 0.001 0.000 0.214 1213 G C 0.822 175.470 174.900 -0.420 0.000 1.136 1213 G CA 0.210 45.214 45.100 -0.160 0.000 0.789 1213 G HN 0.373 nan 8.290 nan 0.000 0.536 1214 S N 0.296 115.940 115.700 -0.094 0.000 2.062 1214 S HA 0.490 4.961 4.470 0.001 0.000 0.163 1214 S C -0.579 174.123 174.600 0.171 0.000 1.612 1214 S CA -0.490 57.694 58.200 -0.027 0.000 1.251 1214 S CB 0.253 63.417 63.200 -0.060 0.000 1.174 1214 S HN -0.041 nan 8.310 nan 0.000 0.428 1215 V N 3.110 123.272 119.914 0.413 0.000 2.439 1215 V HA 0.531 4.652 4.120 0.001 0.000 0.282 1215 V C 0.237 176.468 176.094 0.229 0.000 1.039 1215 V CA -0.314 62.144 62.300 0.264 0.000 0.913 1215 V CB 1.712 33.670 31.823 0.225 0.000 0.983 1215 V HN 0.622 nan 8.190 nan 0.000 0.460 1216 T N 6.089 120.746 114.554 0.172 0.000 2.812 1216 T HA 0.611 4.961 4.350 0.001 0.000 0.282 1216 T C -0.246 174.572 174.700 0.198 0.000 0.990 1216 T CA -0.238 61.955 62.100 0.155 0.000 0.960 1216 T CB 1.063 69.965 68.868 0.057 0.000 0.948 1216 T HN 0.601 nan 8.240 nan 0.000 0.438 1217 I N 1.227 121.886 120.570 0.149 0.000 2.428 1217 I HA 0.909 5.080 4.170 0.001 0.000 0.296 1217 I C -0.912 175.385 176.117 0.301 0.000 0.985 1217 I CA -1.063 60.306 61.300 0.116 0.000 1.260 1217 I CB 1.100 38.929 38.000 -0.285 0.000 1.389 1217 I HN 0.557 nan 8.210 nan 0.000 0.484 1218 F N 2.485 122.428 119.950 -0.011 0.000 2.650 1218 F HA 0.953 5.481 4.527 0.001 0.000 0.310 1218 F C -0.545 175.150 175.800 -0.174 0.000 1.112 1218 F CA -1.063 56.965 58.000 0.046 0.000 0.986 1218 F CB 1.093 40.245 39.000 0.253 0.000 1.285 1218 F HN 0.856 nan 8.300 nan 0.000 0.440 1219 G N 1.100 109.661 108.800 -0.399 0.000 2.645 1219 G HA2 0.546 4.506 3.960 0.001 0.000 0.292 1219 G HA3 0.546 4.506 3.960 0.001 0.000 0.292 1219 G C -2.454 172.126 174.900 -0.533 0.000 1.415 1219 G CA -0.762 43.633 45.100 -1.176 0.000 0.785 1219 G HN 0.897 nan 8.290 nan 0.000 0.483 1220 E N -0.253 119.643 120.200 -0.506 0.000 2.369 1220 E HA 0.623 4.974 4.350 0.001 0.000 0.270 1220 E C 0.568 177.180 176.600 0.020 0.000 0.909 1220 E CA 0.322 56.698 56.400 -0.040 0.000 0.775 1220 E CB 2.290 32.098 29.700 0.180 0.000 1.270 1220 E HN 1.081 nan 8.360 nan 0.000 0.445 1221 S N 1.767 117.556 115.700 0.148 0.000 3.736 1221 S HA -0.391 4.080 4.470 0.001 0.000 0.627 1221 S C 1.503 176.195 174.600 0.153 0.000 2.426 1221 S CA 2.403 60.791 58.200 0.313 0.000 4.022 1221 S CB -1.609 61.864 63.200 0.456 0.000 0.237 1221 S HN 1.138 nan 8.310 nan 0.000 0.967 1222 A N 0.799 123.695 122.820 0.128 0.000 1.958 1222 A HA 0.009 4.330 4.320 0.001 0.000 0.221 1222 A C 2.651 180.194 177.584 -0.068 0.000 1.178 1222 A CA 2.877 54.929 52.037 0.023 0.000 0.642 1222 A CB -1.821 17.200 19.000 0.035 0.000 0.816 1222 A HN 1.828 nan 8.150 nan 0.000 0.453 1223 G N -0.965 107.758 108.800 -0.128 0.000 2.432 1223 G HA2 0.033 3.994 3.960 0.001 0.000 0.219 1223 G HA3 0.033 3.994 3.960 0.001 0.000 0.219 1223 G C 1.458 176.171 174.900 -0.311 0.000 1.135 1223 G CA 1.255 46.152 45.100 -0.339 0.000 0.767 1223 G HN 0.746 nan 8.290 nan 0.000 0.550 1224 G N 0.164 108.857 108.800 -0.179 0.000 2.403 1224 G HA2 -0.115 3.845 3.960 0.001 0.000 0.216 1224 G HA3 -0.115 3.845 3.960 0.001 0.000 0.216 1224 G C 1.544 176.407 174.900 -0.062 0.000 1.154 1224 G CA 1.037 46.080 45.100 -0.094 0.000 0.784 1224 G HN 0.428 nan 8.290 nan 0.000 0.538 1225 E N 1.210 121.377 120.200 -0.055 0.000 2.077 1225 E HA -0.120 4.231 4.350 0.001 0.000 0.193 1225 E C 2.574 179.106 176.600 -0.113 0.000 0.989 1225 E CA 1.316 57.678 56.400 -0.062 0.000 0.800 1225 E CB -0.289 29.379 29.700 -0.055 0.000 0.746 1225 E HN 0.340 nan 8.360 nan 0.000 0.452 1226 S N 0.409 116.028 115.700 -0.134 0.000 2.370 1226 S HA -0.143 4.327 4.470 0.001 0.000 0.226 1226 S C 2.194 176.637 174.600 -0.261 0.000 1.033 1226 S CA 1.348 59.441 58.200 -0.177 0.000 1.011 1226 S CB -0.353 62.717 63.200 -0.216 0.000 0.852 1226 S HN 0.162 nan 8.310 nan 0.000 0.457 1227 V N 1.443 121.208 119.914 -0.249 0.000 2.287 1227 V HA -0.179 3.942 4.120 0.001 0.000 0.248 1227 V C 2.579 178.512 176.094 -0.268 0.000 1.053 1227 V CA 2.001 64.132 62.300 -0.280 0.000 1.027 1227 V CB -1.075 30.641 31.823 -0.179 0.000 0.646 1227 V HN 0.558 nan 8.190 nan 0.000 0.447 1228 S N -0.383 115.228 115.700 -0.148 0.000 2.383 1228 S HA -0.185 4.286 4.470 0.001 0.000 0.229 1228 S C 1.957 176.442 174.600 -0.192 0.000 1.030 1228 S CA 1.905 60.037 58.200 -0.113 0.000 1.002 1228 S CB -0.255 62.949 63.200 0.007 0.000 0.829 1228 S HN 0.346 nan 8.310 nan 0.000 0.467 1229 V N 1.979 121.750 119.914 -0.238 0.000 2.270 1229 V HA -0.129 3.992 4.120 0.001 0.000 0.245 1229 V C 2.368 178.290 176.094 -0.286 0.000 1.043 1229 V CA 1.858 63.975 62.300 -0.305 0.000 1.014 1229 V CB -0.708 30.815 31.823 -0.500 0.000 0.645 1229 V HN 0.482 nan 8.190 nan 0.000 0.447 1230 L N -0.151 120.900 121.223 -0.287 0.000 2.187 1230 L HA -0.142 4.199 4.340 0.001 0.000 0.213 1230 L C 2.271 179.136 176.870 -0.008 0.000 1.100 1230 L CA 0.918 55.642 54.840 -0.194 0.000 0.765 1230 L CB -0.612 41.245 42.059 -0.337 0.000 0.904 1230 L HN 0.221 nan 8.230 nan 0.000 0.437 1231 V N -0.222 119.655 119.914 -0.061 0.000 3.141 1231 V HA -0.163 3.957 4.120 0.001 0.000 0.265 1231 V C 1.886 177.920 176.094 -0.099 0.000 1.126 1231 V CA 1.143 63.502 62.300 0.099 0.000 1.141 1231 V CB -0.170 31.537 31.823 -0.194 0.000 0.743 1231 V HN 0.404 nan 8.190 nan 0.000 0.492 1232 L N -1.338 119.709 121.223 -0.294 0.000 2.701 1232 L HA 0.252 4.593 4.340 0.001 0.000 0.238 1232 L C 1.191 177.674 176.870 -0.646 0.000 1.106 1232 L CA 0.190 54.714 54.840 -0.526 0.000 0.898 1232 L CB 0.379 42.255 42.059 -0.305 0.000 1.188 1232 L HN 0.196 nan 8.230 nan 0.000 0.508 1233 S N 0.446 115.911 115.700 -0.392 0.000 2.523 1233 S HA 0.213 4.683 4.470 0.001 0.000 0.275 1233 S C -1.595 172.931 174.600 -0.123 0.000 1.281 1233 S CA -1.264 56.794 58.200 -0.237 0.000 1.050 1233 S CB 1.168 64.294 63.200 -0.123 0.000 0.937 1233 S HN -0.109 nan 8.310 nan 0.000 0.492 1234 P HA -0.051 nan 4.420 nan 0.000 0.217 1234 P C 1.333 178.724 177.300 0.151 0.000 1.150 1234 P CA 0.952 64.129 63.100 0.128 0.000 0.832 1234 P CB 0.060 31.796 31.700 0.059 0.000 0.787 1235 L N -1.001 120.273 121.223 0.085 0.000 2.042 1235 L HA -0.192 4.149 4.340 0.001 0.000 0.210 1235 L C 2.460 179.407 176.870 0.128 0.000 1.076 1235 L CA 1.711 56.605 54.840 0.090 0.000 0.749 1235 L CB -1.283 40.812 42.059 0.061 0.000 0.893 1235 L HN -0.031 nan 8.230 nan 0.000 0.432 1236 A N -0.193 122.728 122.820 0.167 0.000 1.933 1236 A HA -0.184 4.136 4.320 0.001 0.000 0.218 1236 A C 1.335 179.068 177.584 0.249 0.000 1.175 1236 A CA 0.447 52.642 52.037 0.263 0.000 0.628 1236 A CB -0.403 18.836 19.000 0.398 0.000 0.814 1236 A HN 0.289 nan 8.150 nan 0.000 0.444 1237 K N 0.665 121.220 120.400 0.258 0.000 2.427 1237 K HA -0.202 4.119 4.320 0.001 0.000 0.262 1237 K C -0.336 176.287 176.600 0.038 0.000 1.094 1237 K CA 0.990 57.357 56.287 0.132 0.000 1.184 1237 K CB -0.267 32.330 32.500 0.162 0.000 0.796 1237 K HN 0.553 nan 8.250 nan 0.000 0.491 1238 N N 2.018 120.681 118.700 -0.062 0.000 2.901 1238 N HA -0.209 4.532 4.740 0.001 0.000 0.248 1238 N C 0.090 175.544 175.510 -0.093 0.000 1.044 1238 N CA 1.144 54.155 53.050 -0.065 0.000 0.847 1238 N CB -1.007 37.486 38.487 0.009 0.000 1.127 1238 N HN 0.573 nan 8.380 nan 0.000 0.562 1239 L N -0.899 120.283 121.223 -0.070 0.000 2.638 1239 L HA 0.278 4.619 4.340 0.001 0.000 0.232 1239 L C 0.296 177.209 176.870 0.072 0.000 1.099 1239 L CA 0.207 55.085 54.840 0.062 0.000 0.883 1239 L CB 0.090 42.261 42.059 0.187 0.000 1.136 1239 L HN 0.153 nan 8.230 nan 0.000 0.492 1240 F N -3.965 115.747 119.950 -0.395 0.000 2.685 1240 F HA 0.468 4.995 4.527 0.001 0.000 0.315 1240 F C 0.109 175.457 175.800 -0.754 0.000 1.126 1240 F CA -1.183 56.541 58.000 -0.462 0.000 0.950 1240 F CB 0.885 39.769 39.000 -0.193 0.000 1.360 1240 F HN -0.090 nan 8.300 nan 0.000 0.469 1241 H N -1.112 117.953 119.070 -0.009 0.000 3.233 1241 H HA 0.549 5.106 4.556 0.001 0.000 0.263 1241 H C -0.766 174.494 175.328 -0.113 0.000 1.168 1241 H CA -0.426 55.529 56.048 -0.156 0.000 1.159 1241 H CB 0.723 30.421 29.762 -0.107 0.000 1.593 1241 H HN 0.471 nan 8.280 nan 0.000 0.580 1242 R N 0.368 120.935 120.500 0.110 0.000 2.604 1242 R HA 0.723 5.063 4.340 0.001 0.000 0.261 1242 R C -1.669 174.799 176.300 0.280 0.000 1.080 1242 R CA -0.618 55.522 56.100 0.065 0.000 0.917 1242 R CB 2.052 32.223 30.300 -0.214 0.000 1.252 1242 R HN 0.152 nan 8.270 nan 0.000 0.456 1243 A N 2.834 125.869 122.820 0.358 0.000 2.475 1243 A HA 0.875 5.195 4.320 0.001 0.000 0.301 1243 A C -1.159 176.675 177.584 0.416 0.000 1.059 1243 A CA -0.673 51.533 52.037 0.283 0.000 0.710 1243 A CB 1.301 20.315 19.000 0.024 0.000 1.288 1243 A HN 0.581 nan 8.150 nan 0.000 0.408 1244 I N 1.004 121.750 120.570 0.294 0.000 2.571 1244 I HA 0.339 4.510 4.170 0.001 0.000 0.289 1244 I C -0.486 175.767 176.117 0.226 0.000 1.115 1244 I CA -0.305 61.115 61.300 0.201 0.000 1.045 1244 I CB 2.508 40.533 38.000 0.042 0.000 1.238 1244 I HN 0.480 nan 8.210 nan 0.000 0.424 1245 S N 4.862 120.663 115.700 0.169 0.000 2.530 1245 S HA 0.370 4.841 4.470 0.001 0.000 0.322 1245 S C -0.592 174.063 174.600 0.091 0.000 1.085 1245 S CA -0.688 57.581 58.200 0.115 0.000 1.096 1245 S CB 1.113 64.379 63.200 0.109 0.000 0.988 1245 S HN 0.480 nan 8.310 nan 0.000 0.466 1246 E N 1.790 122.086 120.200 0.159 0.000 2.055 1246 E HA 0.351 4.702 4.350 0.001 0.000 0.274 1246 E C -0.456 176.222 176.600 0.131 0.000 0.949 1246 E CA -0.562 55.971 56.400 0.221 0.000 0.775 1246 E CB 0.966 30.883 29.700 0.361 0.000 1.097 1246 E HN 0.641 nan 8.360 nan 0.000 0.404 1247 S N 1.929 117.686 115.700 0.095 0.000 3.697 1247 S HA -0.133 4.338 4.470 0.001 0.000 0.388 1247 S C 0.056 174.884 174.600 0.380 0.000 0.941 1247 S CA 0.501 58.791 58.200 0.151 0.000 1.247 1247 S CB -1.134 62.064 63.200 -0.002 0.000 0.904 1247 S HN 0.943 nan 8.310 nan 0.000 0.518 1248 G N -0.784 108.175 108.800 0.265 0.000 2.050 1248 G HA2 0.505 4.466 3.960 0.001 0.000 0.274 1248 G HA3 0.505 4.466 3.960 0.001 0.000 0.274 1248 G C -0.800 174.139 174.900 0.065 0.000 1.733 1248 G CA 0.048 45.270 45.100 0.203 0.000 0.905 1248 G HN 1.421 nan 8.290 nan 0.000 0.728 1249 V N -0.253 119.667 119.914 0.010 0.000 3.156 1249 V HA 0.946 5.067 4.120 0.001 0.000 0.311 1249 V C 1.383 177.446 176.094 -0.051 0.000 1.208 1249 V CA 0.004 62.298 62.300 -0.010 0.000 1.063 1249 V CB 1.113 32.925 31.823 -0.018 0.000 1.098 1249 V HN 1.882 nan 8.190 nan 0.000 0.452 1250 A N -0.376 122.414 122.820 -0.050 0.000 1.930 1250 A HA 0.065 4.386 4.320 0.001 0.000 0.217 1250 A C 1.777 179.307 177.584 -0.090 0.000 1.175 1250 A CA 1.769 53.757 52.037 -0.083 0.000 0.627 1250 A CB -0.792 18.154 19.000 -0.089 0.000 0.815 1250 A HN 0.850 nan 8.150 nan 0.000 0.443 1251 L N 0.272 121.449 121.223 -0.076 0.000 2.549 1251 L HA -0.058 4.283 4.340 0.001 0.000 0.229 1251 L C 0.513 177.311 176.870 -0.120 0.000 1.158 1251 L CA 0.431 55.220 54.840 -0.085 0.000 0.842 1251 L CB -0.779 41.244 42.059 -0.061 0.000 0.952 1251 L HN 0.182 nan 8.230 nan 0.000 0.452 1252 T N 0.429 114.899 114.554 -0.140 0.000 3.416 1252 T HA -0.004 4.346 4.350 0.001 0.000 0.247 1252 T C 1.485 176.069 174.700 -0.193 0.000 0.973 1252 T CA -0.003 61.976 62.100 -0.202 0.000 1.166 1252 T CB 0.186 68.919 68.868 -0.226 0.000 1.040 1252 T HN 0.278 nan 8.240 nan 0.000 0.746 1253 S N 2.406 117.993 115.700 -0.188 0.000 2.393 1253 S HA -0.204 4.266 4.470 0.001 0.000 0.235 1253 S C 2.340 176.829 174.600 -0.185 0.000 1.061 1253 S CA 1.485 59.576 58.200 -0.182 0.000 1.129 1253 S CB -0.707 62.373 63.200 -0.199 0.000 1.011 1253 S HN 0.616 nan 8.310 nan 0.000 0.436 1254 V N 1.855 121.647 119.914 -0.204 0.000 2.311 1254 V HA -0.224 3.897 4.120 0.001 0.000 0.256 1254 V C 1.835 177.828 176.094 -0.169 0.000 1.077 1254 V CA 1.983 64.173 62.300 -0.184 0.000 1.067 1254 V CB -0.443 31.268 31.823 -0.186 0.000 0.659 1254 V HN 0.543 nan 8.190 nan 0.000 0.451 1255 L N -0.663 120.456 121.223 -0.173 0.000 2.418 1255 L HA 0.112 4.453 4.340 0.001 0.000 0.218 1255 L C 0.555 177.326 176.870 -0.166 0.000 1.125 1255 L CA 0.096 54.830 54.840 -0.176 0.000 0.835 1255 L CB 0.263 42.225 42.059 -0.161 0.000 0.953 1255 L HN 0.167 nan 8.230 nan 0.000 0.454 1256 V N 1.364 121.192 119.914 -0.143 0.000 2.347 1256 V HA 0.208 4.329 4.120 0.001 0.000 0.280 1256 V C -0.034 175.991 176.094 -0.115 0.000 1.021 1256 V CA -0.849 61.380 62.300 -0.119 0.000 0.847 1256 V CB 1.437 33.193 31.823 -0.113 0.000 0.990 1256 V HN 0.028 nan 8.190 nan 0.000 0.444 1257 K N 5.331 125.670 120.400 -0.102 0.000 2.273 1257 K HA 0.401 4.722 4.320 0.001 0.000 0.287 1257 K C -0.208 176.344 176.600 -0.081 0.000 1.089 1257 K CA -0.117 56.115 56.287 -0.090 0.000 0.909 1257 K CB 0.822 33.272 32.500 -0.083 0.000 1.123 1257 K HN 0.580 nan 8.250 nan 0.000 0.473 1258 K N 0.687 121.039 120.400 -0.080 0.000 2.123 1258 K HA 0.655 4.976 4.320 0.001 0.000 0.259 1258 K C 0.308 176.873 176.600 -0.058 0.000 0.960 1258 K CA -0.648 55.596 56.287 -0.072 0.000 0.872 1258 K CB 1.575 34.028 32.500 -0.079 0.000 1.079 1258 K HN 0.714 nan 8.250 nan 0.000 0.440 1259 G N 1.511 110.280 108.800 -0.051 0.000 2.655 1259 G HA2 -0.206 3.755 3.960 0.001 0.000 0.680 1259 G HA3 -0.206 3.755 3.960 0.001 0.000 0.680 1259 G C -1.367 173.509 174.900 -0.040 0.000 1.302 1259 G CA -0.833 44.243 45.100 -0.039 0.000 0.872 1259 G HN 0.720 nan 8.290 nan 0.000 0.540 1260 D N -0.364 120.017 120.400 -0.032 0.000 2.382 1260 D HA 0.345 4.986 4.640 0.001 0.000 0.259 1260 D C 1.772 178.049 176.300 -0.037 0.000 1.224 1260 D CA 0.722 54.703 54.000 -0.033 0.000 0.894 1260 D CB 1.230 42.016 40.800 -0.023 0.000 1.127 1260 D HN 1.308 nan 8.370 nan 0.000 0.487 1261 V N 2.083 121.965 119.914 -0.054 0.000 3.506 1261 V HA 0.085 4.205 4.120 0.001 0.000 0.263 1261 V C 2.098 178.151 176.094 -0.069 0.000 1.203 1261 V CA 0.442 62.703 62.300 -0.065 0.000 1.133 1261 V CB -0.380 31.385 31.823 -0.095 0.000 0.802 1261 V HN 0.355 nan 8.190 nan 0.000 0.459 1262 K N 2.108 122.471 120.400 -0.061 0.000 2.107 1262 K HA -0.143 4.178 4.320 0.001 0.000 0.211 1262 K C -0.154 176.428 176.600 -0.030 0.000 1.049 1262 K CA 2.702 58.958 56.287 -0.052 0.000 0.927 1262 K CB -1.741 30.741 32.500 -0.030 0.000 0.714 1262 K HN 0.453 nan 8.250 nan 0.000 0.452 1263 P HA -0.173 nan 4.420 nan 0.000 0.215 1263 P C 1.423 178.733 177.300 0.017 0.000 1.157 1263 P CA 1.070 64.172 63.100 0.003 0.000 0.868 1263 P CB -0.013 31.689 31.700 0.004 0.000 0.788 1264 L N -1.115 120.117 121.223 0.015 0.000 2.083 1264 L HA -0.174 4.167 4.340 0.001 0.000 0.209 1264 L C 2.124 179.036 176.870 0.069 0.000 1.083 1264 L CA 1.733 56.604 54.840 0.051 0.000 0.752 1264 L CB -0.874 41.216 42.059 0.051 0.000 0.899 1264 L HN -0.044 nan 8.230 nan 0.000 0.433 1265 A N 0.008 122.830 122.820 0.003 0.000 1.865 1265 A HA -0.283 4.037 4.320 0.001 0.000 0.217 1265 A C 2.004 179.677 177.584 0.147 0.000 1.191 1265 A CA 1.996 54.049 52.037 0.028 0.000 0.623 1265 A CB -0.639 18.264 19.000 -0.162 0.000 0.826 1265 A HN 0.548 nan 8.150 nan 0.000 0.444 1266 E N -1.059 119.185 120.200 0.073 0.000 2.160 1266 E HA -0.267 4.084 4.350 0.001 0.000 0.195 1266 E C 2.242 178.879 176.600 0.062 0.000 0.991 1266 E CA 1.404 57.843 56.400 0.065 0.000 0.810 1266 E CB -0.119 29.601 29.700 0.034 0.000 0.742 1266 E HN 0.804 nan 8.360 nan 0.000 0.466 1267 Q N 0.843 120.681 119.800 0.063 0.000 2.016 1267 Q HA -0.155 4.186 4.340 0.001 0.000 0.200 1267 Q C 2.100 178.133 176.000 0.055 0.000 0.978 1267 Q CA 1.365 57.197 55.803 0.048 0.000 0.833 1267 Q CB -0.032 28.734 28.738 0.048 0.000 0.895 1267 Q HN 0.266 nan 8.270 nan 0.000 0.427 1268 I N 0.621 121.257 120.570 0.110 0.000 2.163 1268 I HA -0.314 3.856 4.170 0.001 0.000 0.243 1268 I C 2.434 178.577 176.117 0.043 0.000 1.085 1268 I CA 0.966 62.331 61.300 0.108 0.000 1.347 1268 I CB -0.634 37.508 38.000 0.238 0.000 1.044 1268 I HN 0.356 nan 8.210 nan 0.000 0.408 1269 A N 1.415 124.278 122.820 0.072 0.000 1.873 1269 A HA -0.236 4.085 4.320 0.001 0.000 0.218 1269 A C 2.308 179.888 177.584 -0.007 0.000 1.193 1269 A CA 1.882 53.926 52.037 0.012 0.000 0.629 1269 A CB -0.982 18.052 19.000 0.056 0.000 0.826 1269 A HN 0.392 nan 8.150 nan 0.000 0.447 1270 I N -0.445 120.129 120.570 0.007 0.000 2.127 1270 I HA -0.265 3.906 4.170 0.001 0.000 0.241 1270 I C 2.589 178.696 176.117 -0.017 0.000 1.075 1270 I CA 1.947 63.244 61.300 -0.004 0.000 1.334 1270 I CB -0.938 37.062 38.000 0.000 0.000 1.040 1270 I HN 0.301 nan 8.210 nan 0.000 0.405 1271 T N 0.826 115.367 114.554 -0.021 0.000 2.803 1271 T HA -0.163 4.187 4.350 0.001 0.000 0.269 1271 T C 1.782 176.459 174.700 -0.039 0.000 1.052 1271 T CA 1.416 63.495 62.100 -0.035 0.000 1.136 1271 T CB -0.300 68.538 68.868 -0.050 0.000 0.864 1271 T HN 0.511 nan 8.240 nan 0.000 0.467 1272 A N 0.374 123.168 122.820 -0.044 0.000 2.208 1272 A HA 0.515 4.836 4.320 0.001 0.000 0.209 1272 A C 1.791 179.348 177.584 -0.045 0.000 1.161 1272 A CA 0.685 52.688 52.037 -0.056 0.000 0.782 1272 A CB -0.628 18.318 19.000 -0.090 0.000 0.816 1272 A HN 0.808 nan 8.150 nan 0.000 0.477 1273 G N -1.775 107.005 108.800 -0.034 0.000 2.203 1273 G HA2 -0.201 3.759 3.960 0.001 0.000 0.231 1273 G HA3 -0.201 3.759 3.960 0.001 0.000 0.231 1273 G C -0.028 174.858 174.900 -0.024 0.000 1.058 1273 G CA -0.020 45.065 45.100 -0.025 0.000 0.781 1273 G HN 0.596 nan 8.290 nan 0.000 0.496 1274 c N -0.439 118.146 118.600 -0.024 0.000 2.595 1274 c HA 0.778 5.348 4.570 0.001 0.000 0.338 1274 c C 1.010 175.097 174.090 -0.005 0.000 1.219 1274 c CA -0.888 55.430 56.329 -0.018 0.000 1.811 1274 c CB 1.669 44.160 42.510 -0.031 0.000 2.313 1274 c HN 0.615 nan 8.230 nan 0.000 0.499 1275 K N 0.271 120.673 120.400 0.003 0.000 2.273 1275 K HA 0.427 4.748 4.320 0.001 0.000 0.240 1275 K C 0.783 177.390 176.600 0.011 0.000 1.056 1275 K CA 0.149 56.440 56.287 0.006 0.000 0.910 1275 K CB 0.295 32.800 32.500 0.008 0.000 1.196 1275 K HN 0.856 nan 8.250 nan 0.000 0.509 1276 T N -4.088 110.472 114.554 0.011 0.000 3.475 1276 T HA 0.075 4.426 4.350 0.001 0.000 0.310 1276 T C 0.873 175.578 174.700 0.007 0.000 0.963 1276 T CA -0.407 61.703 62.100 0.016 0.000 0.985 1276 T CB -0.118 68.761 68.868 0.019 0.000 1.198 1276 T HN 0.394 nan 8.240 nan 0.000 0.508 1277 T N 2.990 117.545 114.554 0.001 0.000 2.680 1277 T HA -0.071 4.280 4.350 0.001 0.000 0.268 1277 T C 1.187 175.880 174.700 -0.012 0.000 1.033 1277 T CA 2.201 64.298 62.100 -0.006 0.000 1.152 1277 T CB -0.480 68.382 68.868 -0.010 0.000 0.859 1277 T HN 0.933 nan 8.240 nan 0.000 0.452 1278 T N -2.857 111.686 114.554 -0.019 0.000 2.762 1278 T HA 0.491 4.842 4.350 0.001 0.000 0.301 1278 T C 0.918 175.595 174.700 -0.039 0.000 1.299 1278 T CA -0.267 61.812 62.100 -0.034 0.000 1.005 1278 T CB 1.522 70.350 68.868 -0.067 0.000 1.377 1278 T HN -0.179 nan 8.240 nan 0.000 0.504 1279 S N 0.353 116.024 115.700 -0.049 0.000 2.348 1279 S HA 0.001 4.472 4.470 0.001 0.000 0.221 1279 S C 2.553 177.100 174.600 -0.088 0.000 1.033 1279 S CA 1.474 59.663 58.200 -0.019 0.000 1.010 1279 S CB -1.108 62.137 63.200 0.075 0.000 0.891 1279 S HN 0.985 nan 8.310 nan 0.000 0.442 1280 A N 1.216 123.818 122.820 -0.364 0.000 1.927 1280 A HA -0.138 4.183 4.320 0.001 0.000 0.220 1280 A C 2.337 179.868 177.584 -0.089 0.000 1.185 1280 A CA 1.931 53.756 52.037 -0.352 0.000 0.639 1280 A CB -1.111 17.569 19.000 -0.533 0.000 0.820 1280 A HN 0.355 nan 8.150 nan 0.000 0.451 1281 V N -0.216 119.654 119.914 -0.074 0.000 2.343 1281 V HA -0.331 3.790 4.120 0.001 0.000 0.247 1281 V C 2.642 178.766 176.094 0.049 0.000 1.051 1281 V CA 2.249 64.548 62.300 -0.001 0.000 1.036 1281 V CB -0.697 31.117 31.823 -0.015 0.000 0.654 1281 V HN 0.587 nan 8.190 nan 0.000 0.451 1282 M N -0.566 119.058 119.600 0.039 0.000 2.067 1282 M HA -0.156 4.325 4.480 0.001 0.000 0.260 1282 M C 2.258 178.574 176.300 0.025 0.000 1.069 1282 M CA 1.771 57.102 55.300 0.052 0.000 1.117 1282 M CB -0.611 32.059 32.600 0.117 0.000 1.334 1282 M HN 0.254 nan 8.290 nan 0.000 0.407 1283 V N -0.339 119.621 119.914 0.076 0.000 2.332 1283 V HA -0.314 3.807 4.120 0.001 0.000 0.248 1283 V C 2.271 178.405 176.094 0.066 0.000 1.055 1283 V CA 2.499 64.825 62.300 0.043 0.000 1.038 1283 V CB -1.258 30.654 31.823 0.148 0.000 0.651 1283 V HN 0.503 nan 8.190 nan 0.000 0.450 1284 H N -0.483 118.595 119.070 0.013 0.000 2.321 1284 H HA -0.228 4.329 4.556 0.001 0.000 0.300 1284 H C 2.393 177.722 175.328 0.002 0.000 1.087 1284 H CA 2.385 58.442 56.048 0.015 0.000 1.319 1284 H CB -0.667 29.095 29.762 -0.001 0.000 1.379 1284 H HN 0.453 nan 8.280 nan 0.000 0.501 1285 c N 0.040 118.633 118.600 -0.011 0.000 2.413 1285 c HA -0.087 4.484 4.570 0.001 0.000 0.277 1285 c C 2.763 176.784 174.090 -0.115 0.000 1.265 1285 c CA 1.060 57.346 56.329 -0.073 0.000 1.752 1285 c CB -1.493 41.013 42.510 -0.007 0.000 1.998 1285 c HN 0.666 nan 8.230 nan 0.000 0.489 1286 L N -0.061 121.095 121.223 -0.112 0.000 2.156 1286 L HA -0.045 4.295 4.340 0.001 0.000 0.208 1286 L C 2.950 179.821 176.870 0.000 0.000 1.095 1286 L CA 1.243 56.017 54.840 -0.109 0.000 0.770 1286 L CB -0.633 41.245 42.059 -0.302 0.000 0.914 1286 L HN 0.313 nan 8.230 nan 0.000 0.439 1287 R N -0.642 119.861 120.500 0.004 0.000 2.148 1287 R HA -0.138 4.203 4.340 0.001 0.000 0.227 1287 R C 2.342 178.565 176.300 -0.129 0.000 1.103 1287 R CA 0.835 56.907 56.100 -0.047 0.000 0.983 1287 R CB 0.037 30.303 30.300 -0.057 0.000 0.874 1287 R HN 0.391 nan 8.270 nan 0.000 0.451 1288 Q N 0.765 120.461 119.800 -0.175 0.000 2.049 1288 Q HA -0.022 4.318 4.340 0.001 0.000 0.198 1288 Q C 0.329 176.275 176.000 -0.089 0.000 0.971 1288 Q CA 0.891 56.603 55.803 -0.151 0.000 0.833 1288 Q CB -0.081 28.555 28.738 -0.170 0.000 0.896 1288 Q HN 0.030 nan 8.270 nan 0.000 0.434 1289 K N 2.409 122.761 120.400 -0.079 0.000 2.586 1289 K HA -0.039 4.282 4.320 0.001 0.000 0.280 1289 K C 0.591 177.174 176.600 -0.029 0.000 0.972 1289 K CA 0.380 56.635 56.287 -0.053 0.000 1.040 1289 K CB -0.181 32.280 32.500 -0.065 0.000 0.870 1289 K HN 0.359 nan 8.250 nan 0.000 0.497 1290 T N -2.137 112.414 114.554 -0.005 0.000 2.849 1290 T HA 0.073 4.423 4.350 0.001 0.000 0.284 1290 T C 1.334 176.082 174.700 0.080 0.000 1.004 1290 T CA -0.615 61.498 62.100 0.023 0.000 1.021 1290 T CB 1.291 70.169 68.868 0.017 0.000 1.013 1290 T HN 0.599 nan 8.240 nan 0.000 0.527 1291 E N 0.468 120.739 120.200 0.119 0.000 2.070 1291 E HA -0.261 4.090 4.350 0.001 0.000 0.197 1291 E C 1.721 178.457 176.600 0.227 0.000 1.004 1291 E CA 1.737 58.282 56.400 0.242 0.000 0.805 1291 E CB -0.121 29.648 29.700 0.114 0.000 0.744 1291 E HN 0.778 nan 8.360 nan 0.000 0.451 1292 E N 0.917 121.184 120.200 0.112 0.000 2.049 1292 E HA -0.227 4.124 4.350 0.001 0.000 0.198 1292 E C 1.956 178.612 176.600 0.093 0.000 1.007 1292 E CA 1.842 58.294 56.400 0.087 0.000 0.809 1292 E CB -0.215 29.511 29.700 0.042 0.000 0.749 1292 E HN 0.416 nan 8.360 nan 0.000 0.450 1293 E N 0.285 120.525 120.200 0.066 0.000 2.038 1293 E HA -0.191 4.160 4.350 0.001 0.000 0.195 1293 E C 2.241 178.864 176.600 0.038 0.000 1.000 1293 E CA 1.097 57.518 56.400 0.036 0.000 0.803 1293 E CB -0.338 29.366 29.700 0.007 0.000 0.750 1293 E HN 0.235 nan 8.360 nan 0.000 0.448 1294 L N 0.661 121.912 121.223 0.047 0.000 2.191 1294 L HA -0.180 4.160 4.340 0.001 0.000 0.212 1294 L C 2.565 179.482 176.870 0.078 0.000 1.103 1294 L CA 0.308 55.116 54.840 -0.054 0.000 0.769 1294 L CB -0.302 41.596 42.059 -0.267 0.000 0.908 1294 L HN 0.177 nan 8.230 nan 0.000 0.438 1295 L N -0.140 121.264 121.223 0.301 0.000 2.109 1295 L HA -0.153 4.188 4.340 0.001 0.000 0.207 1295 L C 2.346 179.318 176.870 0.170 0.000 1.086 1295 L CA 1.682 56.733 54.840 0.351 0.000 0.760 1295 L CB -0.433 41.786 42.059 0.267 0.000 0.910 1295 L HN 0.191 nan 8.230 nan 0.000 0.437 1296 E N -1.117 119.143 120.200 0.100 0.000 2.072 1296 E HA -0.179 4.172 4.350 0.001 0.000 0.191 1296 E C 1.886 178.502 176.600 0.026 0.000 0.985 1296 E CA 1.689 58.119 56.400 0.050 0.000 0.801 1296 E CB -0.203 29.514 29.700 0.028 0.000 0.750 1296 E HN 0.527 nan 8.360 nan 0.000 0.452 1297 T N 0.577 115.138 114.554 0.013 0.000 2.746 1297 T HA -0.132 4.219 4.350 0.001 0.000 0.267 1297 T C 2.021 176.713 174.700 -0.012 0.000 1.039 1297 T CA 1.602 63.688 62.100 -0.023 0.000 1.142 1297 T CB -0.394 68.444 68.868 -0.050 0.000 0.866 1297 T HN 0.156 nan 8.240 nan 0.000 0.444 1298 T N 2.340 116.930 114.554 0.061 0.000 2.746 1298 T HA 0.037 4.388 4.350 0.001 0.000 0.267 1298 T C 1.956 176.712 174.700 0.095 0.000 1.039 1298 T CA 0.868 63.061 62.100 0.156 0.000 1.142 1298 T CB -0.412 68.629 68.868 0.288 0.000 0.866 1298 T HN 0.259 nan 8.240 nan 0.000 0.444 1299 L N 0.372 121.634 121.223 0.066 0.000 2.005 1299 L HA -0.064 4.276 4.340 0.001 0.000 0.207 1299 L C 2.688 179.534 176.870 -0.040 0.000 1.072 1299 L CA 1.389 56.246 54.840 0.030 0.000 0.744 1299 L CB -0.460 41.619 42.059 0.034 0.000 0.895 1299 L HN 0.164 nan 8.230 nan 0.000 0.433 1300 K N -0.427 119.939 120.400 -0.056 0.000 2.074 1300 K HA -0.210 4.111 4.320 0.001 0.000 0.209 1300 K C 2.031 178.525 176.600 -0.177 0.000 1.048 1300 K CA 1.373 57.605 56.287 -0.092 0.000 0.926 1300 K CB -0.198 32.256 32.500 -0.077 0.000 0.713 1300 K HN 0.194 nan 8.250 nan 0.000 0.444 1301 M N 0.979 120.400 119.600 -0.299 0.000 2.435 1301 M HA -0.100 4.381 4.480 0.001 0.000 0.262 1301 M C 0.016 175.970 176.300 -0.577 0.000 1.065 1301 M CA 1.162 56.086 55.300 -0.626 0.000 1.076 1301 M CB -0.886 30.934 32.600 -1.301 0.000 1.403 1301 M HN 0.097 nan 8.290 nan 0.000 0.454 1302 K N -0.551 119.677 120.400 -0.286 0.000 3.974 1302 K HA -0.219 4.102 4.320 0.001 0.000 0.280 1302 K C 0.476 177.046 176.600 -0.050 0.000 0.949 1302 K CA -0.052 56.167 56.287 -0.113 0.000 0.817 1302 K CB -1.830 30.619 32.500 -0.085 0.000 1.535 1302 K HN 0.246 nan 8.250 nan 0.000 0.444 1303 F N 0.123 120.091 119.950 0.029 0.000 2.060 1303 F HA -0.220 4.308 4.527 0.001 0.000 0.295 1303 F C 2.385 178.198 175.800 0.021 0.000 1.120 1303 F CA 1.390 59.408 58.000 0.029 0.000 1.205 1303 F CB -0.077 38.950 39.000 0.045 0.000 0.986 1303 F HN 0.447 nan 8.300 nan 0.000 0.470 1304 L N -0.001 121.350 121.223 0.213 0.000 2.093 1304 L HA -0.004 4.337 4.340 0.001 0.000 0.208 1304 L C 1.089 178.015 176.870 0.094 0.000 1.085 1304 L CA 0.940 55.852 54.840 0.119 0.000 0.755 1304 L CB -0.628 41.473 42.059 0.070 0.000 0.904 1304 L HN -0.182 nan 8.230 nan 0.000 0.435 1305 S N 1.560 117.307 115.700 0.080 0.000 2.544 1305 S HA 0.127 4.598 4.470 0.001 0.000 0.290 1305 S C -0.154 174.486 174.600 0.067 0.000 1.276 1305 S CA -0.295 57.941 58.200 0.060 0.000 1.075 1305 S CB 0.118 63.340 63.200 0.037 0.000 0.849 1305 S HN 0.326 nan 8.310 nan 0.000 0.494 1306 L N 4.185 125.454 121.223 0.077 0.000 2.369 1306 L HA 0.254 4.595 4.340 0.001 0.000 0.279 1306 L C 0.037 176.920 176.870 0.022 0.000 1.108 1306 L CA -0.160 54.723 54.840 0.071 0.000 0.852 1306 L CB 0.188 42.318 42.059 0.118 0.000 1.169 1306 L HN 0.507 nan 8.230 nan 0.000 0.452 1307 D N 3.729 124.137 120.400 0.013 0.000 2.389 1307 D HA 0.127 4.768 4.640 0.001 0.000 0.247 1307 D C 0.688 176.970 176.300 -0.029 0.000 1.128 1307 D CA 0.167 54.160 54.000 -0.010 0.000 0.884 1307 D CB 0.961 41.754 40.800 -0.012 0.000 1.194 1307 D HN 0.617 nan 8.370 nan 0.000 0.441 1308 L N 1.962 123.164 121.223 -0.034 0.000 2.362 1308 L HA 0.069 4.409 4.340 0.001 0.000 0.204 1308 L C 1.443 178.298 176.870 -0.025 0.000 1.060 1308 L CA -0.127 54.689 54.840 -0.040 0.000 0.827 1308 L CB -0.514 41.518 42.059 -0.044 0.000 1.027 1308 L HN 0.499 nan 8.230 nan 0.000 0.474 1309 Q N 1.308 121.098 119.800 -0.017 0.000 2.316 1309 Q HA 0.455 4.796 4.340 0.001 0.000 0.215 1309 Q C 0.433 176.427 176.000 -0.011 0.000 1.020 1309 Q CA 0.427 56.227 55.803 -0.006 0.000 0.970 1309 Q CB 0.837 29.574 28.738 -0.003 0.000 1.187 1309 Q HN 0.194 nan 8.270 nan 0.000 0.546 1310 G N 0.408 109.209 108.800 0.001 0.000 2.693 1310 G HA2 -0.243 3.717 3.960 0.001 0.000 0.226 1310 G HA3 -0.243 3.717 3.960 0.001 0.000 0.226 1310 G C -1.126 173.773 174.900 -0.002 0.000 1.354 1310 G CA -0.050 45.049 45.100 -0.002 0.000 0.873 1310 G HN 0.872 nan 8.290 nan 0.000 0.562 1311 D N 0.790 121.182 120.400 -0.013 0.000 2.295 1311 D HA 0.420 5.061 4.640 0.001 0.000 0.248 1311 D C -0.958 175.267 176.300 -0.126 0.000 1.154 1311 D CA -1.542 52.443 54.000 -0.024 0.000 0.857 1311 D CB 1.454 42.249 40.800 -0.009 0.000 1.117 1311 D HN -0.007 nan 8.370 nan 0.000 0.468 1312 P HA -0.081 nan 4.420 nan 0.000 0.218 1312 P C 1.136 178.191 177.300 -0.409 0.000 1.148 1312 P CA 1.035 63.852 63.100 -0.473 0.000 0.822 1312 P CB 0.350 31.384 31.700 -1.111 0.000 0.784 1313 R N -0.525 119.679 120.500 -0.494 0.000 2.090 1313 R HA -0.050 4.291 4.340 0.001 0.000 0.228 1313 R C 2.213 178.452 176.300 -0.101 0.000 1.110 1313 R CA 0.946 56.805 56.100 -0.402 0.000 0.973 1313 R CB -0.413 29.619 30.300 -0.447 0.000 0.869 1313 R HN 0.295 nan 8.270 nan 0.000 0.440 1314 E N 0.537 120.685 120.200 -0.086 0.000 2.208 1314 E HA -0.012 4.339 4.350 0.001 0.000 0.193 1314 E C -0.113 176.481 176.600 -0.009 0.000 0.988 1314 E CA 0.351 56.733 56.400 -0.030 0.000 0.828 1314 E CB 0.201 29.885 29.700 -0.026 0.000 0.763 1314 E HN 0.095 nan 8.360 nan 0.000 0.478 1315 S N 2.029 117.715 115.700 -0.024 0.000 2.507 1315 S HA -0.023 4.448 4.470 0.001 0.000 0.299 1315 S C -0.015 174.611 174.600 0.043 0.000 1.214 1315 S CA 0.086 58.287 58.200 0.001 0.000 1.137 1315 S CB 0.370 63.559 63.200 -0.019 0.000 1.009 1315 S HN 0.126 nan 8.310 nan 0.000 0.512 1316 Q N 5.497 125.339 119.800 0.070 0.000 2.360 1316 Q HA 0.296 4.637 4.340 0.001 0.000 0.254 1316 Q C -1.449 174.673 176.000 0.202 0.000 0.975 1316 Q CA -2.046 53.828 55.803 0.118 0.000 0.912 1316 Q CB 1.035 29.857 28.738 0.140 0.000 1.212 1316 Q HN 0.279 nan 8.270 nan 0.000 0.452 1317 P HA -0.015 nan 4.420 nan 0.000 0.220 1317 P C -0.071 177.291 177.300 0.104 0.000 1.152 1317 P CA 0.860 64.052 63.100 0.153 0.000 0.812 1317 P CB 0.390 32.118 31.700 0.047 0.000 0.792 1318 L N -3.582 117.601 121.223 -0.066 0.000 2.834 1318 L HA 0.541 4.882 4.340 0.001 0.000 0.277 1318 L C -1.478 175.174 176.870 -0.365 0.000 0.944 1318 L CA -1.230 53.324 54.840 -0.476 0.000 1.065 1318 L CB 0.926 42.758 42.059 -0.378 0.000 1.623 1318 L HN -0.203 nan 8.230 nan 0.000 0.347 1319 L N -1.478 119.514 121.223 -0.386 0.000 2.392 1319 L HA 0.770 5.111 4.340 0.001 0.000 0.262 1319 L C -0.304 176.440 176.870 -0.210 0.000 1.498 1319 L CA -0.314 54.406 54.840 -0.200 0.000 0.820 1319 L CB 0.364 42.364 42.059 -0.098 0.000 0.990 1319 L HN 0.823 nan 8.230 nan 0.000 0.520 1320 G N 0.890 109.518 108.800 -0.287 0.000 2.975 1320 G HA2 0.415 4.375 3.960 0.001 0.000 0.159 1320 G HA3 0.415 4.375 3.960 0.001 0.000 0.159 1320 G C -0.137 174.621 174.900 -0.236 0.000 1.525 1320 G CA -0.275 44.526 45.100 -0.499 0.000 1.075 1320 G HN 0.371 nan 8.290 nan 0.000 0.574 1321 T N 0.173 114.627 114.554 -0.167 0.000 2.908 1321 T HA 0.373 4.724 4.350 0.001 0.000 0.325 1321 T C 0.312 175.020 174.700 0.012 0.000 1.092 1321 T CA 0.635 62.795 62.100 0.100 0.000 1.125 1321 T CB 0.858 69.796 68.868 0.116 0.000 1.016 1321 T HN 1.084 nan 8.240 nan 0.000 0.550 1322 V N -0.752 119.171 119.914 0.015 0.000 3.181 1322 V HA 0.550 4.671 4.120 0.001 0.000 0.308 1322 V C -0.694 175.362 176.094 -0.065 0.000 1.214 1322 V CA -1.343 60.927 62.300 -0.050 0.000 1.053 1322 V CB 1.952 33.729 31.823 -0.077 0.000 1.069 1322 V HN 0.626 nan 8.190 nan 0.000 0.441 1323 I N 3.537 124.062 120.570 -0.076 0.000 2.213 1323 I HA 0.205 4.375 4.170 0.001 0.000 0.295 1323 I C 1.239 177.307 176.117 -0.082 0.000 1.172 1323 I CA 0.120 61.373 61.300 -0.078 0.000 1.443 1323 I CB -0.555 37.401 38.000 -0.072 0.000 1.491 1323 I HN 0.975 nan 8.210 nan 0.000 0.652 1324 D N 3.513 123.857 120.400 -0.094 0.000 2.219 1324 D HA -0.127 4.513 4.640 0.001 0.000 0.205 1324 D C 1.439 177.693 176.300 -0.077 0.000 0.970 1324 D CA 1.264 55.202 54.000 -0.104 0.000 0.851 1324 D CB 0.232 40.944 40.800 -0.146 0.000 0.943 1324 D HN 0.632 nan 8.370 nan 0.000 0.488 1325 G N -0.393 108.367 108.800 -0.066 0.000 2.159 1325 G HA2 -0.237 3.723 3.960 0.001 0.000 0.227 1325 G HA3 -0.237 3.723 3.960 0.001 0.000 0.227 1325 G C 0.823 175.700 174.900 -0.039 0.000 0.986 1325 G CA 0.551 45.621 45.100 -0.049 0.000 0.651 1325 G HN 0.310 nan 8.290 nan 0.000 0.523 1326 M N -1.647 117.926 119.600 -0.044 0.000 2.741 1326 M HA 0.389 4.870 4.480 0.001 0.000 0.211 1326 M C 2.120 178.401 176.300 -0.031 0.000 1.811 1326 M CA 0.810 56.095 55.300 -0.025 0.000 1.185 1326 M CB -0.888 31.704 32.600 -0.013 0.000 1.320 1326 M HN 0.205 nan 8.290 nan 0.000 0.583 1327 L N 1.025 122.220 121.223 -0.047 0.000 2.072 1327 L HA 0.185 4.526 4.340 0.001 0.000 0.205 1327 L C 0.255 177.068 176.870 -0.095 0.000 1.079 1327 L CA 1.445 56.251 54.840 -0.058 0.000 0.752 1327 L CB 0.261 42.286 42.059 -0.057 0.000 0.906 1327 L HN 0.131 nan 8.230 nan 0.000 0.436 1328 L N -0.198 120.967 121.223 -0.098 0.000 2.381 1328 L HA 0.255 4.595 4.340 0.001 0.000 0.274 1328 L C 0.282 177.098 176.870 -0.090 0.000 0.988 1328 L CA -0.429 54.342 54.840 -0.115 0.000 0.824 1328 L CB 2.014 43.998 42.059 -0.125 0.000 1.263 1328 L HN 0.032 nan 8.230 nan 0.000 0.410 1329 L N 2.436 123.606 121.223 -0.088 0.000 2.509 1329 L HA 0.145 4.486 4.340 0.001 0.000 0.222 1329 L C 0.368 177.200 176.870 -0.063 0.000 1.123 1329 L CA 0.585 55.386 54.840 -0.066 0.000 0.856 1329 L CB -0.348 41.679 42.059 -0.054 0.000 0.985 1329 L HN 0.635 nan 8.230 nan 0.000 0.456 1330 K N -1.604 118.751 120.400 -0.075 0.000 2.642 1330 K HA 0.270 4.591 4.320 0.001 0.000 0.290 1330 K C -0.444 176.111 176.600 -0.076 0.000 1.006 1330 K CA -0.774 55.473 56.287 -0.067 0.000 0.869 1330 K CB 0.522 32.990 32.500 -0.054 0.000 1.499 1330 K HN -0.120 nan 8.250 nan 0.000 0.403 1331 T N -1.323 113.190 114.554 -0.069 0.000 2.934 1331 T HA 0.009 4.360 4.350 0.001 0.000 0.321 1331 T C -1.747 172.907 174.700 -0.077 0.000 1.080 1331 T CA -0.374 61.682 62.100 -0.074 0.000 1.132 1331 T CB 0.007 68.835 68.868 -0.066 0.000 1.039 1331 T HN 0.371 nan 8.240 nan 0.000 0.543 1332 P HA -0.113 nan 4.420 nan 0.000 0.216 1332 P C 1.413 178.679 177.300 -0.056 0.000 1.153 1332 P CA 1.267 64.319 63.100 -0.081 0.000 0.858 1332 P CB 0.040 31.690 31.700 -0.083 0.000 0.789 1333 E N 0.107 120.276 120.200 -0.051 0.000 2.021 1333 E HA -0.232 4.119 4.350 0.001 0.000 0.200 1333 E C 1.969 178.553 176.600 -0.026 0.000 1.015 1333 E CA 1.612 57.992 56.400 -0.033 0.000 0.824 1333 E CB -1.003 28.675 29.700 -0.038 0.000 0.762 1333 E HN 0.417 nan 8.360 nan 0.000 0.454 1334 E N 0.405 120.585 120.200 -0.033 0.000 2.085 1334 E HA -0.191 4.160 4.350 0.001 0.000 0.194 1334 E C 2.238 178.822 176.600 -0.027 0.000 0.994 1334 E CA 0.882 57.265 56.400 -0.027 0.000 0.801 1334 E CB -0.233 29.447 29.700 -0.033 0.000 0.743 1334 E HN 0.181 nan 8.360 nan 0.000 0.453 1335 L N 1.115 122.312 121.223 -0.043 0.000 2.012 1335 L HA -0.255 4.086 4.340 0.001 0.000 0.210 1335 L C 2.813 179.667 176.870 -0.027 0.000 1.073 1335 L CA 1.651 56.459 54.840 -0.054 0.000 0.748 1335 L CB -0.423 41.578 42.059 -0.097 0.000 0.891 1335 L HN 0.279 nan 8.230 nan 0.000 0.431 1336 Q N -0.673 119.120 119.800 -0.012 0.000 2.472 1336 Q HA -0.044 4.297 4.340 0.001 0.000 0.208 1336 Q C 1.726 177.746 176.000 0.032 0.000 0.958 1336 Q CA 0.897 56.715 55.803 0.025 0.000 0.932 1336 Q CB -0.066 28.695 28.738 0.039 0.000 1.007 1336 Q HN 0.406 nan 8.270 nan 0.000 0.508 1337 A N 1.187 124.018 122.820 0.017 0.000 2.206 1337 A HA -0.048 4.273 4.320 0.001 0.000 0.211 1337 A C 0.805 178.402 177.584 0.023 0.000 1.158 1337 A CA 0.387 52.435 52.037 0.020 0.000 0.761 1337 A CB -0.053 18.953 19.000 0.011 0.000 0.801 1337 A HN 0.491 nan 8.150 nan 0.000 0.473 1338 E N -0.315 119.900 120.200 0.026 0.000 2.221 1338 E HA 0.476 4.826 4.350 0.001 0.000 0.268 1338 E C -0.720 175.912 176.600 0.053 0.000 0.933 1338 E CA -0.739 55.681 56.400 0.033 0.000 0.809 1338 E CB 1.061 30.777 29.700 0.027 0.000 1.190 1338 E HN 0.121 nan 8.360 nan 0.000 0.406 1339 R N 2.009 122.541 120.500 0.053 0.000 2.613 1339 R HA 0.252 4.593 4.340 0.001 0.000 0.361 1339 R C -0.270 176.074 176.300 0.074 0.000 1.072 1339 R CA 0.028 56.165 56.100 0.062 0.000 1.089 1339 R CB -0.045 30.275 30.300 0.032 0.000 1.343 1339 R HN 0.438 nan 8.270 nan 0.000 0.571 1340 N N 0.648 119.404 118.700 0.093 0.000 3.052 1340 N HA 0.136 4.877 4.740 0.001 0.000 0.302 1340 N C -1.297 174.329 175.510 0.192 0.000 1.332 1340 N CA -0.076 53.031 53.050 0.096 0.000 1.129 1340 N CB 0.249 38.778 38.487 0.070 0.000 1.436 1340 N HN 0.039 nan 8.380 nan 0.000 0.536 1341 F N -0.375 119.581 119.950 0.011 0.000 2.645 1341 F HA 0.259 4.787 4.527 0.001 0.000 0.310 1341 F C -0.472 175.366 175.800 0.065 0.000 1.102 1341 F CA -1.321 56.696 58.000 0.029 0.000 0.952 1341 F CB 1.204 40.220 39.000 0.027 0.000 1.326 1341 F HN 0.075 nan 8.300 nan 0.000 0.456 1342 H N 2.799 121.064 119.070 -1.342 0.000 3.138 1342 H HA 0.268 4.825 4.556 0.001 0.000 0.275 1342 H C -0.452 174.482 175.328 -0.658 0.000 0.997 1342 H CA 0.323 55.805 56.048 -0.944 0.000 1.460 1342 H CB 0.401 29.545 29.762 -1.030 0.000 1.524 1342 H HN 0.648 nan 8.280 nan 0.000 0.532 1343 T N 2.829 117.288 114.554 -0.158 0.000 2.837 1343 T HA 0.481 4.831 4.350 0.001 0.000 0.285 1343 T C 0.169 174.800 174.700 -0.115 0.000 0.984 1343 T CA -0.781 61.277 62.100 -0.071 0.000 1.049 1343 T CB 1.508 70.329 68.868 -0.079 0.000 0.947 1343 T HN 0.373 nan 8.240 nan 0.000 0.472 1344 V N -0.723 119.187 119.914 -0.007 0.000 3.074 1344 V HA 0.773 4.893 4.120 0.001 0.000 0.314 1344 V C -3.141 173.101 176.094 0.246 0.000 1.117 1344 V CA -3.531 58.758 62.300 -0.018 0.000 1.014 1344 V CB 1.381 33.079 31.823 -0.208 0.000 1.057 1344 V HN 0.614 nan 8.190 nan 0.000 0.438 1345 P HA 0.162 nan 4.420 nan 0.000 0.263 1345 P C -1.452 176.200 177.300 0.586 0.000 1.195 1345 P CA 0.679 63.997 63.100 0.363 0.000 0.762 1345 P CB -0.243 31.506 31.700 0.081 0.000 0.799 1346 Y N 3.963 124.494 120.300 0.385 0.000 2.361 1346 Y HA 0.519 5.070 4.550 0.001 0.000 0.337 1346 Y C -0.548 175.347 175.900 -0.008 0.000 0.965 1346 Y CA -1.532 56.623 58.100 0.092 0.000 1.091 1346 Y CB 1.426 39.593 38.460 -0.487 0.000 1.182 1346 Y HN 0.206 nan 8.280 nan 0.000 0.450 1347 M N 7.862 127.402 119.600 -0.099 0.000 2.149 1347 M HA 0.515 4.996 4.480 0.001 0.000 0.342 1347 M C -2.112 173.899 176.300 -0.482 0.000 1.068 1347 M CA -0.714 54.312 55.300 -0.456 0.000 0.991 1347 M CB 0.863 32.938 32.600 -0.875 0.000 1.596 1347 M HN 0.449 nan 8.290 nan 0.000 0.439 1348 V N 4.949 124.553 119.914 -0.516 0.000 2.378 1348 V HA 0.806 4.926 4.120 0.001 0.000 0.288 1348 V C 0.330 176.125 176.094 -0.499 0.000 1.016 1348 V CA -0.564 61.418 62.300 -0.531 0.000 0.840 1348 V CB 1.189 32.624 31.823 -0.646 0.000 0.994 1348 V HN 1.002 nan 8.190 nan 0.000 0.431 1349 G N 4.099 112.530 108.800 -0.614 0.000 2.658 1349 G HA2 0.926 4.887 3.960 0.001 0.000 0.292 1349 G HA3 0.926 4.887 3.960 0.001 0.000 0.292 1349 G C -1.073 173.458 174.900 -0.615 0.000 1.320 1349 G CA -0.698 43.636 45.100 -1.277 0.000 0.933 1349 G HN 0.905 nan 8.290 nan 0.000 0.476 1350 I N -2.715 117.570 120.570 -0.475 0.000 3.279 1350 I HA 0.692 4.863 4.170 0.001 0.000 0.315 1350 I C -1.578 174.581 176.117 0.070 0.000 1.187 1350 I CA -1.413 59.816 61.300 -0.117 0.000 0.953 1350 I CB 2.525 40.476 38.000 -0.081 0.000 1.279 1350 I HN 0.274 nan 8.210 nan 0.000 0.465 1351 N N 1.423 120.176 118.700 0.089 0.000 2.335 1351 N HA 0.350 5.091 4.740 0.001 0.000 0.304 1351 N C 0.123 175.717 175.510 0.140 0.000 1.135 1351 N CA -0.826 52.346 53.050 0.204 0.000 0.817 1351 N CB 1.988 40.606 38.487 0.218 0.000 1.294 1351 N HN 0.649 nan 8.380 nan 0.000 0.497 1352 K N 0.832 121.331 120.400 0.165 0.000 2.032 1352 K HA -0.178 4.143 4.320 0.001 0.000 0.218 1352 K C -0.202 176.464 176.600 0.110 0.000 1.054 1352 K CA 1.948 58.306 56.287 0.118 0.000 0.941 1352 K CB -0.004 32.559 32.500 0.104 0.000 0.720 1352 K HN 0.602 nan 8.250 nan 0.000 0.449 1353 Q N 0.127 120.002 119.800 0.125 0.000 2.700 1353 Q HA 0.126 4.467 4.340 0.001 0.000 0.249 1353 Q C -0.157 175.920 176.000 0.129 0.000 1.033 1353 Q CA -0.392 55.490 55.803 0.131 0.000 0.804 1353 Q CB 1.639 30.460 28.738 0.139 0.000 1.164 1353 Q HN 0.159 nan 8.270 nan 0.000 0.500 1354 E N 0.564 120.810 120.200 0.077 0.000 2.085 1354 E HA -0.162 4.189 4.350 0.001 0.000 0.194 1354 E C 0.415 177.055 176.600 0.068 0.000 0.994 1354 E CA 1.241 57.625 56.400 -0.025 0.000 0.801 1354 E CB 0.155 29.635 29.700 -0.366 0.000 0.743 1354 E HN 0.507 nan 8.360 nan 0.000 0.453 1355 F N 0.555 120.494 119.950 -0.018 0.000 2.660 1355 F HA 0.210 4.738 4.527 0.002 0.000 0.297 1355 F C 1.799 177.613 175.800 0.023 0.000 1.132 1355 F CA -0.211 57.769 58.000 -0.033 0.000 1.372 1355 F CB 0.367 39.318 39.000 -0.083 0.000 1.003 1355 F HN -0.032 nan 8.300 nan 0.000 0.524 1356 G N 0.145 109.035 108.800 0.151 0.000 2.446 1356 G HA2 -0.307 3.653 3.960 0.001 0.000 0.217 1356 G HA3 -0.307 3.653 3.960 0.001 0.000 0.217 1356 G C 1.132 176.186 174.900 0.257 0.000 1.168 1356 G CA 1.615 46.832 45.100 0.194 0.000 0.771 1356 G HN 0.621 nan 8.290 nan 0.000 0.551 1357 W N -1.652 119.635 121.300 -0.022 0.000 5.194 1357 W HA 0.251 4.912 4.660 0.001 0.000 0.160 1357 W C 1.707 178.187 176.519 -0.064 0.000 1.096 1357 W CA 0.269 57.599 57.345 -0.025 0.000 1.802 1357 W CB -0.642 28.833 29.460 0.026 0.000 0.525 1357 W HN 0.041 nan 8.180 nan 0.000 1.087 1358 L N 2.230 123.384 121.223 -0.115 0.000 1.976 1358 L HA -0.231 4.110 4.340 0.001 0.000 0.223 1358 L C 2.144 178.724 176.870 -0.483 0.000 1.081 1358 L CA 3.178 57.791 54.840 -0.377 0.000 0.784 1358 L CB -1.207 40.913 42.059 0.103 0.000 0.896 1358 L HN 0.237 nan 8.230 nan 0.000 0.438 1359 I N -0.784 119.522 120.570 -0.440 0.000 2.076 1359 I HA -0.244 3.926 4.170 0.001 0.000 0.237 1359 I C -0.221 175.529 176.117 -0.613 0.000 1.059 1359 I CA 1.656 62.616 61.300 -0.567 0.000 1.317 1359 I CB -1.867 35.628 38.000 -0.842 0.000 1.037 1359 I HN 0.259 nan 8.210 nan 0.000 0.398 1360 P HA -0.202 nan 4.420 nan 0.000 0.216 1360 P C 1.134 178.292 177.300 -0.237 0.000 1.157 1360 P CA 1.295 64.105 63.100 -0.483 0.000 0.880 1360 P CB -0.094 31.366 31.700 -0.401 0.000 0.791 1364 M N -0.256 119.309 119.600 -0.057 0.000 2.441 1364 M HA 0.205 4.686 4.480 0.001 0.000 0.244 1364 M C 0.329 176.677 176.300 0.080 0.000 1.122 1364 M CA 0.305 55.630 55.300 0.042 0.000 1.041 1364 M CB 0.622 33.294 32.600 0.120 0.000 1.438 1364 M HN 0.199 nan 8.290 nan 0.000 0.484 1365 S N 0.100 115.834 115.700 0.057 0.000 3.968 1365 S HA -0.163 4.308 4.470 0.001 0.000 0.373 1365 S C -0.543 174.131 174.600 0.123 0.000 0.974 1365 S CA -0.003 58.236 58.200 0.066 0.000 1.124 1365 S CB -2.116 61.106 63.200 0.037 0.000 0.862 1365 S HN 0.485 nan 8.310 nan 0.000 0.492 1366 Y N 1.669 121.983 120.300 0.024 0.000 2.442 1366 Y HA 0.277 4.828 4.550 0.001 0.000 0.330 1366 Y C -0.987 174.965 175.900 0.088 0.000 1.129 1366 Y CA -1.146 57.004 58.100 0.084 0.000 1.365 1366 Y CB 0.542 39.078 38.460 0.128 0.000 1.233 1366 Y HN 0.102 nan 8.280 nan 0.000 0.529 1367 P HA -0.114 nan 4.420 nan 0.000 0.229 1367 P C 0.586 177.940 177.300 0.090 0.000 1.150 1367 P CA 1.149 64.245 63.100 -0.006 0.000 0.765 1367 P CB 0.096 31.736 31.700 -0.101 0.000 0.783 1368 L N -0.135 121.220 121.223 0.221 0.000 2.855 1368 L HA -0.003 4.338 4.340 0.001 0.000 0.257 1368 L C 1.162 178.150 176.870 0.196 0.000 1.206 1368 L CA 0.316 55.306 54.840 0.250 0.000 1.042 1368 L CB -0.968 41.336 42.059 0.408 0.000 1.321 1368 L HN 0.085 nan 8.230 nan 0.000 0.417 1369 S N -2.406 113.381 115.700 0.146 0.000 2.803 1369 S HA 0.066 4.537 4.470 0.001 0.000 0.228 1369 S C 1.077 175.737 174.600 0.101 0.000 0.953 1369 S CA -0.249 58.027 58.200 0.127 0.000 0.983 1369 S CB -0.036 63.227 63.200 0.105 0.000 0.784 1369 S HN 0.381 nan 8.310 nan 0.000 0.498 1370 E N 0.870 121.130 120.200 0.099 0.000 2.447 1370 E HA 0.215 4.565 4.350 0.001 0.000 0.204 1370 E C 1.367 178.015 176.600 0.080 0.000 0.977 1370 E CA 0.516 56.961 56.400 0.076 0.000 0.950 1370 E CB -0.151 29.585 29.700 0.061 0.000 0.975 1370 E HN 0.656 nan 8.360 nan 0.000 0.496 1371 G N 2.565 111.426 108.800 0.103 0.000 2.198 1371 G HA2 -0.297 3.664 3.960 0.001 0.000 0.260 1371 G HA3 -0.297 3.664 3.960 0.001 0.000 0.260 1371 G C 0.085 175.039 174.900 0.090 0.000 1.025 1371 G CA 1.023 46.184 45.100 0.101 0.000 0.769 1371 G HN 0.372 nan 8.290 nan 0.000 0.507 1372 Q N -2.722 117.132 119.800 0.091 0.000 2.791 1372 Q HA 0.761 5.102 4.340 0.001 0.000 0.280 1372 Q C -1.810 174.227 176.000 0.061 0.000 0.928 1372 Q CA -1.260 54.589 55.803 0.076 0.000 0.819 1372 Q CB 1.126 29.898 28.738 0.056 0.000 1.552 1372 Q HN 0.807 nan 8.270 nan 0.000 0.410 1373 L N 0.844 122.095 121.223 0.046 0.000 2.765 1373 L HA 0.638 4.978 4.340 0.001 0.000 0.263 1373 L C -2.055 174.816 176.870 0.001 0.000 1.068 1373 L CA -0.099 54.745 54.840 0.007 0.000 0.903 1373 L CB 2.353 44.392 42.059 -0.033 0.000 1.512 1373 L HN 0.941 nan 8.230 nan 0.000 0.404 1374 D N 0.141 120.526 120.400 -0.025 0.000 2.547 1374 D HA 0.219 4.860 4.640 0.001 0.000 0.231 1374 D C -0.248 176.037 176.300 -0.026 0.000 1.099 1374 D CA -0.512 53.481 54.000 -0.012 0.000 0.901 1374 D CB 1.526 42.323 40.800 -0.005 0.000 1.478 1374 D HN 0.481 nan 8.370 nan 0.000 0.471 1375 Q N 0.372 120.171 119.800 -0.001 0.000 2.197 1375 Q HA -0.207 4.134 4.340 0.001 0.000 0.211 1375 Q C 1.506 177.503 176.000 -0.005 0.000 0.993 1375 Q CA 1.750 57.557 55.803 0.007 0.000 0.883 1375 Q CB -0.036 28.714 28.738 0.020 0.000 0.916 1375 Q HN 0.528 nan 8.270 nan 0.000 0.418 1376 K N -0.686 119.707 120.400 -0.011 0.000 2.044 1376 K HA -0.012 4.309 4.320 0.001 0.000 0.204 1376 K C 2.142 178.728 176.600 -0.024 0.000 1.049 1376 K CA 1.270 57.550 56.287 -0.011 0.000 0.945 1376 K CB 0.008 32.504 32.500 -0.007 0.000 0.724 1376 K HN 0.071 nan 8.250 nan 0.000 0.440 1377 T N 1.265 115.793 114.554 -0.043 0.000 2.962 1377 T HA -0.063 4.287 4.350 0.001 0.000 0.270 1377 T C 1.826 176.447 174.700 -0.132 0.000 1.088 1377 T CA 1.024 63.086 62.100 -0.064 0.000 1.127 1377 T CB -0.095 68.735 68.868 -0.063 0.000 0.883 1377 T HN 0.281 nan 8.240 nan 0.000 0.493 1378 A N 1.701 124.415 122.820 -0.177 0.000 1.841 1378 A HA -0.017 4.304 4.320 0.001 0.000 0.214 1378 A C 2.296 179.807 177.584 -0.121 0.000 1.195 1378 A CA 1.351 53.183 52.037 -0.342 0.000 0.611 1378 A CB -0.674 18.181 19.000 -0.241 0.000 0.835 1378 A HN 0.425 nan 8.150 nan 0.000 0.443 1379 M N -0.538 119.069 119.600 0.011 0.000 2.149 1379 M HA -0.157 4.324 4.480 0.001 0.000 0.261 1379 M C 2.514 178.908 176.300 0.157 0.000 1.064 1379 M CA 1.742 57.106 55.300 0.108 0.000 1.102 1379 M CB -0.326 32.315 32.600 0.067 0.000 1.369 1379 M HN 0.541 nan 8.290 nan 0.000 0.408 1380 S N 0.661 116.418 115.700 0.094 0.000 2.355 1380 S HA -0.097 4.374 4.470 0.001 0.000 0.222 1380 S C 1.806 176.508 174.600 0.169 0.000 1.031 1380 S CA 1.037 59.320 58.200 0.139 0.000 0.993 1380 S CB -0.174 63.064 63.200 0.063 0.000 0.859 1380 S HN 0.440 nan 8.310 nan 0.000 0.453 1381 L N 0.597 121.864 121.223 0.073 0.000 2.056 1381 L HA -0.054 4.287 4.340 0.001 0.000 0.207 1381 L C 2.449 179.500 176.870 0.302 0.000 1.078 1381 L CA 1.113 56.008 54.840 0.092 0.000 0.749 1381 L CB -0.360 41.661 42.059 -0.063 0.000 0.901 1381 L HN 0.377 nan 8.230 nan 0.000 0.433 1382 L N -0.647 120.823 121.223 0.412 0.000 2.046 1382 L HA -0.287 4.053 4.340 0.001 0.000 0.208 1382 L C 2.166 179.285 176.870 0.415 0.000 1.077 1382 L CA 1.858 57.001 54.840 0.506 0.000 0.747 1382 L CB -0.803 41.569 42.059 0.521 0.000 0.896 1382 L HN 0.396 nan 8.230 nan 0.000 0.432 1383 W N 0.680 122.094 121.300 0.189 0.000 2.355 1383 W HA -0.262 4.399 4.660 0.001 0.000 0.309 1383 W C 2.047 178.665 176.519 0.166 0.000 1.206 1383 W CA 1.480 58.925 57.345 0.166 0.000 1.284 1383 W CB 0.035 29.555 29.460 0.099 0.000 1.145 1383 W HN 0.140 nan 8.180 nan 0.000 0.502 1384 K N 0.249 120.649 120.400 -0.001 0.000 2.442 1384 K HA -0.064 4.256 4.320 0.001 0.000 0.198 1384 K C 1.657 178.224 176.600 -0.055 0.000 1.042 1384 K CA 1.225 57.431 56.287 -0.135 0.000 0.958 1384 K CB -0.165 32.314 32.500 -0.035 0.000 0.766 1384 K HN -0.087 nan 8.250 nan 0.000 0.474 1385 S N 0.265 116.004 115.700 0.064 0.000 2.605 1385 S HA -0.002 4.469 4.470 0.001 0.000 0.217 1385 S C 1.000 175.624 174.600 0.041 0.000 0.958 1385 S CA -0.340 57.927 58.200 0.112 0.000 0.919 1385 S CB -0.220 63.112 63.200 0.220 0.000 0.780 1385 S HN 0.329 nan 8.310 nan 0.000 0.507 1386 Y N 4.044 124.243 120.300 -0.168 0.000 2.139 1386 Y HA -0.147 4.403 4.550 0.001 0.000 0.282 1386 Y C -0.827 174.989 175.900 -0.139 0.000 1.179 1386 Y CA 1.760 59.738 58.100 -0.204 0.000 1.161 1386 Y CB -0.964 37.184 38.460 -0.520 0.000 0.970 1386 Y HN 0.255 nan 8.280 nan 0.000 0.511 1387 P HA -0.117 nan 4.420 nan 0.000 0.230 1387 P C 0.949 178.173 177.300 -0.127 0.000 1.158 1387 P CA 1.497 64.550 63.100 -0.078 0.000 0.769 1387 P CB 0.021 31.728 31.700 0.012 0.000 0.807 1388 L N -1.030 120.126 121.223 -0.112 0.000 2.609 1388 L HA 0.103 4.444 4.340 0.001 0.000 0.230 1388 L C 2.076 178.830 176.870 -0.194 0.000 1.087 1388 L CA 0.244 55.015 54.840 -0.114 0.000 0.874 1388 L CB 0.322 42.371 42.059 -0.017 0.000 1.114 1388 L HN -0.147 nan 8.230 nan 0.000 0.488 1389 V N -6.771 113.014 119.914 -0.215 0.000 3.480 1389 V HA 0.160 4.281 4.120 0.001 0.000 0.263 1389 V C 1.064 177.018 176.094 -0.233 0.000 1.442 1389 V CA -0.439 61.729 62.300 -0.220 0.000 1.053 1389 V CB 0.189 31.919 31.823 -0.154 0.000 0.846 1389 V HN 0.292 nan 8.190 nan 0.000 0.440 1390 C N 2.036 121.062 119.300 -0.457 0.000 3.727 1390 C HA -0.157 4.304 4.460 0.001 0.000 0.293 1390 C C 0.428 175.247 174.990 -0.284 0.000 1.339 1390 C CA 0.301 58.849 59.018 -0.783 0.000 2.150 1390 C CB -2.938 24.448 27.740 -0.590 0.000 1.383 1390 C HN 0.640 nan 8.230 nan 0.000 0.614 1391 I N 0.975 121.576 120.570 0.052 0.000 2.377 1391 I HA 0.554 4.725 4.170 0.001 0.000 0.293 1391 I C 0.867 177.353 176.117 0.615 0.000 0.987 1391 I CA -0.203 61.337 61.300 0.400 0.000 1.185 1391 I CB 1.365 39.633 38.000 0.447 0.000 1.341 1391 I HN 0.493 nan 8.210 nan 0.000 0.455 1392 A N 5.459 128.574 122.820 0.491 0.000 2.483 1392 A HA 0.083 4.404 4.320 0.001 0.000 0.238 1392 A C 1.150 178.917 177.584 0.305 0.000 1.070 1392 A CA -0.108 52.188 52.037 0.431 0.000 0.770 1392 A CB 0.198 19.345 19.000 0.244 0.000 1.008 1392 A HN 0.899 nan 8.150 nan 0.000 0.497 1393 K N 0.355 120.763 120.400 0.013 0.000 2.555 1393 K HA -0.087 4.234 4.320 0.001 0.000 0.193 1393 K C 1.261 177.755 176.600 -0.178 0.000 1.032 1393 K CA 1.385 57.452 56.287 -0.367 0.000 1.004 1393 K CB 0.029 31.778 32.500 -1.251 0.000 0.804 1393 K HN 0.881 nan 8.250 nan 0.000 0.496 1394 E N -0.173 119.995 120.200 -0.054 0.000 2.447 1394 E HA -0.069 4.281 4.350 0.001 0.000 0.195 1394 E C 1.391 178.005 176.600 0.024 0.000 1.028 1394 E CA 0.273 56.657 56.400 -0.026 0.000 0.876 1394 E CB 0.125 29.820 29.700 -0.009 0.000 0.885 1394 E HN 0.292 nan 8.360 nan 0.000 0.500 1395 L N 0.358 121.628 121.223 0.078 0.000 2.425 1395 L HA 0.099 4.439 4.340 0.001 0.000 0.215 1395 L C 2.297 179.231 176.870 0.107 0.000 1.065 1395 L CA -0.234 54.663 54.840 0.095 0.000 0.842 1395 L CB -0.242 41.909 42.059 0.154 0.000 1.033 1395 L HN 0.005 nan 8.230 nan 0.000 0.474 1396 I N 1.223 121.880 120.570 0.146 0.000 2.121 1396 I HA -0.260 3.911 4.170 0.001 0.000 0.243 1396 I C -0.015 176.175 176.117 0.122 0.000 1.047 1396 I CA 2.356 63.761 61.300 0.175 0.000 1.308 1396 I CB -2.393 35.713 38.000 0.176 0.000 1.015 1396 I HN 0.192 nan 8.210 nan 0.000 0.410 1397 P HA -0.179 nan 4.420 nan 0.000 0.215 1397 P C 1.762 179.098 177.300 0.061 0.000 1.157 1397 P CA 1.547 64.679 63.100 0.053 0.000 0.868 1397 P CB -0.061 31.651 31.700 0.021 0.000 0.788 1398 E N -0.540 119.693 120.200 0.055 0.000 2.077 1398 E HA -0.192 4.159 4.350 0.001 0.000 0.193 1398 E C 1.912 178.563 176.600 0.085 0.000 0.989 1398 E CA 1.189 57.624 56.400 0.059 0.000 0.800 1398 E CB -0.447 29.281 29.700 0.048 0.000 0.746 1398 E HN 0.056 nan 8.360 nan 0.000 0.452 1399 A N 0.196 123.061 122.820 0.075 0.000 1.873 1399 A HA -0.141 4.180 4.320 0.001 0.000 0.215 1399 A C 2.377 180.029 177.584 0.113 0.000 1.186 1399 A CA 1.901 53.967 52.037 0.049 0.000 0.616 1399 A CB -0.911 18.104 19.000 0.025 0.000 0.823 1399 A HN 0.299 nan 8.150 nan 0.000 0.442 1400 T N -0.237 114.404 114.554 0.145 0.000 2.803 1400 T HA -0.146 4.204 4.350 0.001 0.000 0.269 1400 T C 1.889 176.676 174.700 0.146 0.000 1.052 1400 T CA 1.754 63.959 62.100 0.175 0.000 1.136 1400 T CB -0.204 68.755 68.868 0.152 0.000 0.864 1400 T HN 0.640 nan 8.240 nan 0.000 0.467 1401 E N 1.850 122.107 120.200 0.094 0.000 2.028 1401 E HA -0.136 4.215 4.350 0.001 0.000 0.191 1401 E C 2.084 178.703 176.600 0.031 0.000 0.988 1401 E CA 1.478 57.911 56.400 0.055 0.000 0.799 1401 E CB -0.324 29.394 29.700 0.031 0.000 0.755 1401 E HN 0.259 nan 8.360 nan 0.000 0.447 1402 K N -0.888 119.507 120.400 -0.009 0.000 2.211 1402 K HA -0.157 4.164 4.320 0.001 0.000 0.204 1402 K C 1.676 178.234 176.600 -0.069 0.000 1.047 1402 K CA 1.502 57.698 56.287 -0.151 0.000 0.935 1402 K CB -0.533 31.657 32.500 -0.516 0.000 0.728 1402 K HN 0.274 nan 8.250 nan 0.000 0.452 1403 Y N -0.577 119.669 120.300 -0.091 0.000 2.396 1403 Y HA 0.226 4.777 4.550 0.001 0.000 0.292 1403 Y C 1.752 177.674 175.900 0.035 0.000 1.128 1403 Y CA 0.688 58.784 58.100 -0.007 0.000 1.194 1403 Y CB 0.246 38.759 38.460 0.088 0.000 1.124 1403 Y HN -0.104 nan 8.280 nan 0.000 0.543 1404 L N -1.791 119.560 121.223 0.213 0.000 2.298 1404 L HA 0.151 4.492 4.340 0.001 0.000 0.209 1404 L C 2.338 179.252 176.870 0.075 0.000 1.084 1404 L CA 0.782 55.709 54.840 0.145 0.000 0.816 1404 L CB -0.780 41.370 42.059 0.152 0.000 0.967 1404 L HN 0.196 nan 8.230 nan 0.000 0.460 1405 G N 0.260 109.091 108.800 0.051 0.000 2.615 1405 G HA2 -0.129 3.831 3.960 0.001 0.000 0.213 1405 G HA3 -0.129 3.831 3.960 0.001 0.000 0.213 1405 G C 1.413 176.316 174.900 0.004 0.000 1.135 1405 G CA 0.689 45.801 45.100 0.021 0.000 0.772 1405 G HN 0.457 nan 8.290 nan 0.000 0.542 1406 G N 0.324 109.125 108.800 0.002 0.000 2.575 1406 G HA2 0.114 4.074 3.960 0.001 0.000 0.215 1406 G HA3 0.114 4.074 3.960 0.001 0.000 0.215 1406 G C 1.130 176.030 174.900 0.001 0.000 1.262 1406 G CA 1.573 46.666 45.100 -0.012 0.000 0.807 1406 G HN 0.692 nan 8.290 nan 0.000 0.567 1407 T N -3.324 111.238 114.554 0.014 0.000 2.889 1407 T HA 0.530 4.881 4.350 0.001 0.000 0.278 1407 T C 0.184 174.898 174.700 0.023 0.000 0.995 1407 T CA -0.246 61.864 62.100 0.017 0.000 0.966 1407 T CB 2.045 70.926 68.868 0.021 0.000 1.237 1407 T HN 0.020 nan 8.240 nan 0.000 0.591 1408 D N -0.706 119.706 120.400 0.021 0.000 2.423 1408 D HA 0.077 4.718 4.640 0.001 0.000 0.208 1408 D C 0.003 176.318 176.300 0.026 0.000 1.068 1408 D CA 0.001 54.014 54.000 0.021 0.000 0.860 1408 D CB 0.140 40.949 40.800 0.015 0.000 0.992 1408 D HN 0.605 nan 8.370 nan 0.000 0.504 1409 D N 2.296 122.713 120.400 0.028 0.000 2.383 1409 D HA -0.070 4.571 4.640 0.001 0.000 0.275 1409 D C 1.570 177.895 176.300 0.042 0.000 1.344 1409 D CA 0.319 54.339 54.000 0.032 0.000 0.984 1409 D CB 0.834 41.654 40.800 0.033 0.000 1.104 1409 D HN 0.068 nan 8.370 nan 0.000 0.524 1410 T N 0.538 115.115 114.554 0.039 0.000 2.822 1410 T HA -0.189 4.162 4.350 0.001 0.000 0.270 1410 T C 1.918 176.654 174.700 0.059 0.000 1.064 1410 T CA 1.200 63.326 62.100 0.044 0.000 1.131 1410 T CB -0.238 68.651 68.868 0.035 0.000 0.858 1410 T HN 0.228 nan 8.240 nan 0.000 0.483 1411 V N 1.539 121.488 119.914 0.059 0.000 2.379 1411 V HA -0.073 4.048 4.120 0.001 0.000 0.245 1411 V C 2.777 178.923 176.094 0.087 0.000 1.044 1411 V CA 1.654 63.997 62.300 0.072 0.000 1.036 1411 V CB -0.509 31.349 31.823 0.060 0.000 0.664 1411 V HN 0.507 nan 8.190 nan 0.000 0.453 1412 K N 0.232 120.677 120.400 0.075 0.000 2.103 1412 K HA -0.194 4.127 4.320 0.001 0.000 0.207 1412 K C 2.209 178.877 176.600 0.114 0.000 1.048 1412 K CA 1.401 57.737 56.287 0.083 0.000 0.930 1412 K CB -0.221 32.316 32.500 0.062 0.000 0.716 1412 K HN 0.426 nan 8.250 nan 0.000 0.444 1413 K N 1.089 121.556 120.400 0.112 0.000 2.057 1413 K HA -0.158 4.163 4.320 0.001 0.000 0.207 1413 K C 2.186 178.909 176.600 0.205 0.000 1.049 1413 K CA 1.089 57.462 56.287 0.144 0.000 0.931 1413 K CB -0.064 32.496 32.500 0.101 0.000 0.714 1413 K HN 0.062 nan 8.250 nan 0.000 0.440 1414 K N 1.232 121.739 120.400 0.179 0.000 2.063 1414 K HA -0.211 4.110 4.320 0.001 0.000 0.208 1414 K C 1.307 178.079 176.600 0.286 0.000 1.048 1414 K CA 1.840 58.269 56.287 0.237 0.000 0.928 1414 K CB -0.006 32.604 32.500 0.184 0.000 0.713 1414 K HN 0.104 nan 8.250 nan 0.000 0.442 1415 D N 0.766 121.294 120.400 0.214 0.000 2.149 1415 D HA -0.100 4.541 4.640 0.001 0.000 0.201 1415 D C 2.070 178.499 176.300 0.215 0.000 0.972 1415 D CA 0.732 54.850 54.000 0.197 0.000 0.835 1415 D CB -0.038 40.848 40.800 0.144 0.000 0.966 1415 D HN 0.235 nan 8.370 nan 0.000 0.476 1416 L N -0.066 121.295 121.223 0.230 0.000 2.093 1416 L HA -0.125 4.215 4.340 0.001 0.000 0.208 1416 L C 2.329 179.412 176.870 0.356 0.000 1.085 1416 L CA 0.496 55.499 54.840 0.272 0.000 0.755 1416 L CB -0.292 41.913 42.059 0.243 0.000 0.904 1416 L HN -0.043 nan 8.230 nan 0.000 0.435 1417 F N 0.750 120.810 119.950 0.183 0.000 2.134 1417 F HA -0.215 4.313 4.527 0.001 0.000 0.299 1417 F C 2.129 177.985 175.800 0.095 0.000 1.097 1417 F CA 1.445 59.530 58.000 0.142 0.000 1.264 1417 F CB -0.230 38.857 39.000 0.145 0.000 1.001 1417 F HN -0.115 nan 8.300 nan 0.000 0.479 1418 L N -0.168 121.095 121.223 0.067 0.000 1.994 1418 L HA -0.248 4.092 4.340 0.001 0.000 0.208 1418 L C 2.280 179.118 176.870 -0.053 0.000 1.071 1418 L CA 1.718 56.543 54.840 -0.025 0.000 0.745 1418 L CB -1.064 41.111 42.059 0.195 0.000 0.892 1418 L HN 0.069 nan 8.230 nan 0.000 0.431 1419 D N 0.228 120.690 120.400 0.104 0.000 2.190 1419 D HA -0.210 4.431 4.640 0.001 0.000 0.200 1419 D C 2.179 178.562 176.300 0.139 0.000 0.992 1419 D CA 1.025 55.126 54.000 0.167 0.000 0.854 1419 D CB -0.117 40.837 40.800 0.256 0.000 0.936 1419 D HN 0.177 nan 8.370 nan 0.000 0.462 1420 L N 1.326 122.550 121.223 0.002 0.000 1.970 1420 L HA -0.188 4.153 4.340 0.001 0.000 0.212 1420 L C 2.339 178.957 176.870 -0.419 0.000 1.071 1420 L CA 1.545 56.146 54.840 -0.399 0.000 0.751 1420 L CB -0.917 40.860 42.059 -0.470 0.000 0.889 1420 L HN 0.011 nan 8.230 nan 0.000 0.432 1421 I N 0.264 120.488 120.570 -0.577 0.000 2.226 1421 I HA -0.260 3.910 4.170 0.001 0.000 0.245 1421 I C 2.762 178.614 176.117 -0.442 0.000 1.100 1421 I CA 1.141 62.023 61.300 -0.696 0.000 1.374 1421 I CB -0.563 36.682 38.000 -1.259 0.000 1.057 1421 I HN 0.320 nan 8.210 nan 0.000 0.413 1422 A N 0.369 123.054 122.820 -0.225 0.000 2.024 1422 A HA -0.242 4.079 4.320 0.001 0.000 0.220 1422 A C 1.905 179.552 177.584 0.105 0.000 1.164 1422 A CA 2.066 54.167 52.037 0.107 0.000 0.643 1422 A CB -0.493 18.596 19.000 0.148 0.000 0.806 1422 A HN 0.385 nan 8.150 nan 0.000 0.451 1423 D N -0.645 119.733 120.400 -0.035 0.000 2.183 1423 D HA -0.019 4.622 4.640 0.001 0.000 0.205 1423 D C 2.046 178.167 176.300 -0.298 0.000 0.962 1423 D CA 1.249 55.213 54.000 -0.060 0.000 0.849 1423 D CB -0.124 40.726 40.800 0.084 0.000 0.978 1423 D HN 0.272 nan 8.370 nan 0.000 0.488 1424 V N 1.068 120.664 119.914 -0.530 0.000 2.488 1424 V HA -0.134 3.986 4.120 0.001 0.000 0.246 1424 V C 2.452 178.284 176.094 -0.435 0.000 1.046 1424 V CA 1.048 62.937 62.300 -0.685 0.000 1.053 1424 V CB -0.303 31.007 31.823 -0.854 0.000 0.679 1424 V HN 0.173 nan 8.190 nan 0.000 0.458 1425 M N -1.340 118.020 119.600 -0.400 0.000 2.193 1425 M HA 0.064 4.545 4.480 0.001 0.000 0.265 1425 M C 1.874 177.737 176.300 -0.729 0.000 1.071 1425 M CA 2.036 56.974 55.300 -0.604 0.000 1.140 1425 M CB -0.163 31.971 32.600 -0.777 0.000 1.369 1425 M HN 0.404 nan 8.290 nan 0.000 0.423 1426 F N -1.467 118.423 119.950 -0.100 0.000 2.495 1426 F HA 0.367 4.895 4.527 0.002 0.000 0.272 1426 F C 2.405 178.154 175.800 -0.085 0.000 0.919 1426 F CA 0.163 58.126 58.000 -0.062 0.000 1.178 1426 F CB -1.517 37.486 39.000 0.003 0.000 1.030 1426 F HN 0.055 nan 8.300 nan 0.000 0.777 1427 G N 1.584 110.482 108.800 0.163 0.000 2.764 1427 G HA2 -0.286 3.675 3.960 0.001 0.000 0.219 1427 G HA3 -0.286 3.675 3.960 0.001 0.000 0.219 1427 G C 1.667 176.563 174.900 -0.007 0.000 1.259 1427 G CA 2.501 47.631 45.100 0.050 0.000 0.793 1427 G HN 0.194 nan 8.290 nan 0.000 0.633 1428 V N 2.278 122.166 119.914 -0.043 0.000 2.307 1428 V HA -0.102 4.019 4.120 0.001 0.000 0.245 1428 V C 0.465 176.533 176.094 -0.043 0.000 1.045 1428 V CA 2.280 64.560 62.300 -0.034 0.000 1.024 1428 V CB -1.416 30.365 31.823 -0.071 0.000 0.651 1428 V HN 0.306 nan 8.190 nan 0.000 0.449 1429 P HA -0.154 nan 4.420 nan 0.000 0.215 1429 P C 2.069 179.329 177.300 -0.066 0.000 1.163 1429 P CA 2.164 65.223 63.100 -0.068 0.000 0.894 1429 P CB -0.150 31.488 31.700 -0.104 0.000 0.791 1430 S N -0.603 115.054 115.700 -0.071 0.000 2.369 1430 S HA -0.167 4.304 4.470 0.001 0.000 0.225 1430 S C 2.030 176.531 174.600 -0.166 0.000 1.043 1430 S CA 1.778 59.906 58.200 -0.120 0.000 1.074 1430 S CB -1.490 61.640 63.200 -0.117 0.000 0.962 1430 S HN -0.064 nan 8.310 nan 0.000 0.433 1431 V N 2.117 121.951 119.914 -0.134 0.000 2.332 1431 V HA -0.195 3.926 4.120 0.001 0.000 0.248 1431 V C 2.079 178.124 176.094 -0.081 0.000 1.055 1431 V CA 1.641 63.860 62.300 -0.135 0.000 1.038 1431 V CB -0.762 31.040 31.823 -0.035 0.000 0.651 1431 V HN 0.447 nan 8.190 nan 0.000 0.450 1432 I N -0.517 120.034 120.570 -0.031 0.000 2.179 1432 I HA -0.227 3.944 4.170 0.001 0.000 0.242 1432 I C 2.440 178.553 176.117 -0.007 0.000 1.088 1432 I CA 1.333 62.637 61.300 0.006 0.000 1.357 1432 I CB -0.519 37.492 38.000 0.018 0.000 1.051 1432 I HN 0.154 nan 8.210 nan 0.000 0.409 1433 V N 1.277 121.167 119.914 -0.039 0.000 2.252 1433 V HA -0.369 3.752 4.120 0.001 0.000 0.249 1433 V C 2.788 178.863 176.094 -0.033 0.000 1.056 1433 V CA 2.249 64.537 62.300 -0.019 0.000 1.022 1433 V CB -1.091 30.706 31.823 -0.044 0.000 0.641 1433 V HN 0.536 nan 8.190 nan 0.000 0.445 1434 A N -0.354 122.356 122.820 -0.184 0.000 1.917 1434 A HA -0.288 4.033 4.320 0.001 0.000 0.219 1434 A C 2.342 179.866 177.584 -0.101 0.000 1.182 1434 A CA 2.257 54.114 52.037 -0.300 0.000 0.633 1434 A CB -0.548 18.034 19.000 -0.698 0.000 0.819 1434 A HN 0.551 nan 8.150 nan 0.000 0.448 1435 R N -0.396 120.102 120.500 -0.003 0.000 2.070 1435 R HA -0.102 4.239 4.340 0.001 0.000 0.233 1435 R C 2.155 178.540 176.300 0.142 0.000 1.137 1435 R CA 1.464 57.672 56.100 0.181 0.000 0.945 1435 R CB -0.458 29.948 30.300 0.176 0.000 0.845 1435 R HN 0.606 nan 8.270 nan 0.000 0.430 1436 N N 0.087 118.853 118.700 0.110 0.000 2.061 1436 N HA -0.229 4.512 4.740 0.001 0.000 0.193 1436 N C 1.809 177.402 175.510 0.138 0.000 1.030 1436 N CA 1.577 54.693 53.050 0.109 0.000 0.856 1436 N CB -0.362 38.185 38.487 0.099 0.000 1.023 1436 N HN 0.307 nan 8.380 nan 0.000 0.424 1437 H N 1.510 120.630 119.070 0.083 0.000 2.352 1437 H HA -0.040 4.517 4.556 0.001 0.000 0.299 1437 H C 2.314 177.701 175.328 0.098 0.000 1.097 1437 H CA 1.803 57.921 56.048 0.116 0.000 1.311 1437 H CB -0.035 29.829 29.762 0.170 0.000 1.377 1437 H HN 0.115 nan 8.280 nan 0.000 0.504 1438 R N 0.296 120.882 120.500 0.144 0.000 2.080 1438 R HA -0.143 4.198 4.340 0.001 0.000 0.236 1438 R C 1.416 177.739 176.300 0.037 0.000 1.137 1438 R CA 2.063 58.223 56.100 0.101 0.000 0.943 1438 R CB -0.262 30.164 30.300 0.210 0.000 0.846 1438 R HN 0.388 nan 8.270 nan 0.000 0.431 1439 D N 0.424 120.859 120.400 0.058 0.000 2.221 1439 D HA -0.128 4.513 4.640 0.001 0.000 0.204 1439 D C 1.524 177.828 176.300 0.007 0.000 0.982 1439 D CA 1.346 55.367 54.000 0.035 0.000 0.857 1439 D CB -0.153 40.677 40.800 0.050 0.000 0.934 1439 D HN 0.438 nan 8.370 nan 0.000 0.475 1440 A N 0.073 122.885 122.820 -0.014 0.000 2.209 1440 A HA 0.292 4.613 4.320 0.001 0.000 0.212 1440 A C 1.575 179.121 177.584 -0.064 0.000 1.158 1440 A CA 1.112 53.129 52.037 -0.035 0.000 0.742 1440 A CB -0.355 18.615 19.000 -0.050 0.000 0.790 1440 A HN 0.264 nan 8.150 nan 0.000 0.472 1441 G N -2.028 106.732 108.800 -0.067 0.000 2.303 1441 G HA2 0.270 4.230 3.960 0.001 0.000 0.260 1441 G HA3 0.270 4.230 3.960 0.001 0.000 0.260 1441 G C -0.041 174.805 174.900 -0.091 0.000 1.106 1441 G CA 0.209 45.274 45.100 -0.058 0.000 0.900 1441 G HN 1.721 nan 8.290 nan 0.000 0.495 1442 A N -0.066 122.665 122.820 -0.148 0.000 2.449 1442 A HA 0.925 5.246 4.320 0.001 0.000 0.302 1442 A C -2.653 174.919 177.584 -0.020 0.000 1.048 1442 A CA -1.653 50.292 52.037 -0.153 0.000 0.708 1442 A CB 1.834 20.573 19.000 -0.436 0.000 1.274 1442 A HN 0.114 nan 8.150 nan 0.000 0.410 1443 P HA 0.150 nan 4.420 nan 0.000 0.258 1443 P C -0.396 177.021 177.300 0.195 0.000 1.172 1443 P CA 1.037 64.198 63.100 0.102 0.000 0.762 1443 P CB 0.422 32.239 31.700 0.194 0.000 0.764 1444 T N 3.450 117.999 114.554 -0.008 0.000 2.893 1444 T HA 0.571 4.921 4.350 0.001 0.000 0.293 1444 T C -1.097 173.441 174.700 -0.271 0.000 1.027 1444 T CA -0.258 61.869 62.100 0.045 0.000 0.988 1444 T CB 0.853 69.799 68.868 0.130 0.000 1.043 1444 T HN 0.099 nan 8.240 nan 0.000 0.461 1445 Y N 1.071 121.318 120.300 -0.087 0.000 2.470 1445 Y HA 0.652 5.204 4.550 0.002 0.000 0.341 1445 Y C -0.125 175.725 175.900 -0.084 0.000 1.021 1445 Y CA -0.998 57.018 58.100 -0.140 0.000 1.025 1445 Y CB 2.028 40.138 38.460 -0.583 0.000 1.266 1445 Y HN 0.414 nan 8.280 nan 0.000 0.448 1446 M N 3.158 122.994 119.600 0.394 0.000 2.690 1446 M HA 0.603 5.084 4.480 0.001 0.000 0.302 1446 M C -1.572 175.111 176.300 0.638 0.000 1.234 1446 M CA -1.026 54.432 55.300 0.264 0.000 0.853 1446 M CB 3.248 35.863 32.600 0.024 0.000 1.748 1446 M HN 0.751 nan 8.290 nan 0.000 0.469 1447 Y N -1.562 118.923 120.300 0.308 0.000 2.656 1447 Y HA 0.658 5.209 4.550 0.002 0.000 0.334 1447 Y C -1.754 174.240 175.900 0.158 0.000 1.179 1447 Y CA -1.025 57.223 58.100 0.246 0.000 1.050 1447 Y CB 1.428 40.013 38.460 0.208 0.000 1.308 1447 Y HN 0.691 nan 8.280 nan 0.000 0.456 1448 E N 2.720 123.197 120.200 0.462 0.000 2.279 1448 E HA 0.304 4.655 4.350 0.001 0.000 0.252 1448 E C -2.226 174.641 176.600 0.445 0.000 0.894 1448 E CA -0.818 55.778 56.400 0.327 0.000 0.785 1448 E CB 1.119 30.916 29.700 0.162 0.000 1.237 1448 E HN 0.634 nan 8.360 nan 0.000 0.418 1449 F N 5.458 125.637 119.950 0.381 0.000 2.413 1449 F HA 0.177 4.704 4.527 0.001 0.000 0.359 1449 F C -0.287 175.630 175.800 0.194 0.000 1.122 1449 F CA -0.155 58.000 58.000 0.257 0.000 1.160 1449 F CB 0.528 39.686 39.000 0.264 0.000 1.146 1449 F HN 0.362 nan 8.300 nan 0.000 0.514 1450 Q N 7.358 127.032 119.800 -0.210 0.000 2.401 1450 Q HA 0.367 4.708 4.340 0.001 0.000 0.260 1450 Q C -1.831 174.016 176.000 -0.255 0.000 1.034 1450 Q CA -0.820 54.906 55.803 -0.129 0.000 0.737 1450 Q CB 1.990 30.715 28.738 -0.022 0.000 1.227 1450 Q HN 0.795 nan 8.270 nan 0.000 0.488 1451 Y N 0.693 120.759 120.300 -0.390 0.000 2.620 1451 Y HA 0.367 4.918 4.550 0.001 0.000 0.331 1451 Y C -1.822 174.058 175.900 -0.033 0.000 1.173 1451 Y CA -0.903 57.019 58.100 -0.297 0.000 1.076 1451 Y CB 2.001 40.129 38.460 -0.553 0.000 1.336 1451 Y HN 0.643 nan 8.280 nan 0.000 0.459 1452 R N 6.159 126.469 120.500 -0.317 0.000 2.310 1452 R HA 0.468 4.809 4.340 0.001 0.000 0.316 1452 R C -2.841 173.478 176.300 0.031 0.000 1.004 1452 R CA -2.071 53.981 56.100 -0.080 0.000 0.900 1452 R CB 0.971 31.154 30.300 -0.195 0.000 1.152 1452 R HN 0.372 nan 8.270 nan 0.000 0.513 1453 P HA -0.041 nan 4.420 nan 0.000 0.269 1453 P C 0.223 177.413 177.300 -0.182 0.000 1.209 1453 P CA 0.121 63.313 63.100 0.154 0.000 0.776 1453 P CB 1.389 33.162 31.700 0.121 0.000 0.876 1454 S N 1.156 116.582 115.700 -0.456 0.000 2.515 1454 S HA -0.073 4.397 4.470 0.001 0.000 0.231 1454 S C 1.204 175.420 174.600 -0.640 0.000 0.987 1454 S CA 0.412 58.271 58.200 -0.568 0.000 0.936 1454 S CB -1.113 61.692 63.200 -0.658 0.000 0.766 1454 S HN 0.375 nan 8.310 nan 0.000 0.528 1455 F N 2.126 121.883 119.950 -0.321 0.000 2.797 1455 F HA 0.353 4.880 4.527 0.001 0.000 0.302 1455 F C 1.370 176.976 175.800 -0.324 0.000 1.130 1455 F CA -0.480 57.291 58.000 -0.381 0.000 1.387 1455 F CB -0.590 38.010 39.000 -0.666 0.000 1.107 1455 F HN 0.010 nan 8.300 nan 0.000 0.577 1456 S N 0.377 115.978 115.700 -0.165 0.000 2.559 1456 S HA -0.028 4.443 4.470 0.001 0.000 0.282 1456 S C 0.695 175.270 174.600 -0.042 0.000 1.336 1456 S CA -0.372 57.788 58.200 -0.066 0.000 1.037 1456 S CB 0.592 63.735 63.200 -0.095 0.000 0.853 1456 S HN 0.305 nan 8.310 nan 0.000 0.523 1457 S N 0.330 116.035 115.700 0.008 0.000 2.580 1457 S HA 0.020 4.490 4.470 0.001 0.000 0.266 1457 S C 0.907 175.424 174.600 -0.139 0.000 1.354 1457 S CA -0.531 57.671 58.200 0.004 0.000 1.008 1457 S CB 0.212 63.510 63.200 0.163 0.000 0.898 1457 S HN 0.660 nan 8.310 nan 0.000 0.555 1458 D N 2.060 122.409 120.400 -0.086 0.000 2.123 1458 D HA -0.058 4.583 4.640 0.001 0.000 0.200 1458 D C 1.589 177.776 176.300 -0.187 0.000 0.976 1458 D CA 1.375 55.306 54.000 -0.115 0.000 0.831 1458 D CB -0.199 40.570 40.800 -0.052 0.000 0.974 1458 D HN 0.583 nan 8.370 nan 0.000 0.469 1459 M N 0.376 119.878 119.600 -0.163 0.000 2.748 1459 M HA -0.057 4.424 4.480 0.001 0.000 0.241 1459 M C 0.764 176.658 176.300 -0.677 0.000 1.080 1459 M CA 0.587 55.781 55.300 -0.175 0.000 1.068 1459 M CB -0.073 32.623 32.600 0.161 0.000 1.536 1459 M HN -0.241 nan 8.290 nan 0.000 0.540 1460 K N 2.681 122.502 120.400 -0.965 0.000 2.263 1460 K HA 0.292 4.613 4.320 0.001 0.000 0.272 1460 K C -2.358 173.882 176.600 -0.600 0.000 1.033 1460 K CA -1.917 53.583 56.287 -1.313 0.000 0.884 1460 K CB 1.065 32.881 32.500 -1.139 0.000 1.107 1460 K HN -0.107 nan 8.250 nan 0.000 0.460 1461 P HA -0.007 nan 4.420 nan 0.000 0.266 1461 P C -0.523 176.672 177.300 -0.175 0.000 1.195 1461 P CA 0.052 63.017 63.100 -0.224 0.000 0.768 1461 P CB 0.789 32.411 31.700 -0.130 0.000 0.838 1462 K N 0.772 121.091 120.400 -0.136 0.000 2.515 1462 K HA -0.040 4.281 4.320 0.001 0.000 0.196 1462 K C 1.360 177.904 176.600 -0.093 0.000 1.038 1462 K CA 1.346 57.561 56.287 -0.120 0.000 0.967 1462 K CB -0.356 32.078 32.500 -0.110 0.000 0.780 1462 K HN 0.614 nan 8.250 nan 0.000 0.483 1463 T N -2.417 112.097 114.554 -0.068 0.000 3.107 1463 T HA 0.098 4.449 4.350 0.001 0.000 0.249 1463 T C 0.616 175.307 174.700 -0.016 0.000 1.096 1463 T CA -0.285 61.792 62.100 -0.038 0.000 1.012 1463 T CB 0.135 68.993 68.868 -0.016 0.000 0.977 1463 T HN -0.231 nan 8.240 nan 0.000 0.527 1464 V N 2.752 122.655 119.914 -0.019 0.000 2.353 1464 V HA 0.440 4.561 4.120 0.001 0.000 0.264 1464 V C -0.131 175.977 176.094 0.022 0.000 1.049 1464 V CA -0.759 61.559 62.300 0.029 0.000 0.896 1464 V CB 0.300 32.158 31.823 0.059 0.000 1.025 1464 V HN 0.459 nan 8.190 nan 0.000 0.475 1465 I N 3.713 124.303 120.570 0.033 0.000 2.433 1465 I HA 0.625 4.796 4.170 0.001 0.000 0.292 1465 I C 0.945 177.118 176.117 0.093 0.000 1.001 1465 I CA -0.472 60.842 61.300 0.023 0.000 1.119 1465 I CB 1.817 39.792 38.000 -0.042 0.000 1.289 1465 I HN 0.785 nan 8.210 nan 0.000 0.438 1466 G N 3.796 112.695 108.800 0.166 0.000 2.291 1466 G HA2 -0.222 3.739 3.960 0.001 0.000 0.271 1466 G HA3 -0.222 3.739 3.960 0.001 0.000 0.271 1466 G C -0.371 174.673 174.900 0.241 0.000 1.099 1466 G CA -0.155 45.102 45.100 0.262 0.000 0.919 1466 G HN 0.718 nan 8.290 nan 0.000 0.496 1467 D N -0.779 119.769 120.400 0.248 0.000 2.354 1467 D HA 0.389 5.030 4.640 0.001 0.000 0.247 1467 D C 0.911 177.359 176.300 0.246 0.000 1.138 1467 D CA -0.541 53.606 54.000 0.245 0.000 0.958 1467 D CB 0.407 41.380 40.800 0.289 0.000 1.144 1467 D HN 0.356 nan 8.370 nan 0.000 0.458 1468 H N 0.394 119.527 119.070 0.104 0.000 3.192 1468 H HA 0.233 4.790 4.556 0.001 0.000 0.295 1468 H C 1.409 176.820 175.328 0.138 0.000 0.943 1468 H CA 1.950 58.032 56.048 0.057 0.000 1.416 1468 H CB -0.108 29.670 29.762 0.027 0.000 1.434 1468 H HN 0.610 nan 8.280 nan 0.000 0.565 1469 G N 4.254 112.845 108.800 -0.347 0.000 2.179 1469 G HA2 -0.342 3.618 3.960 0.001 0.000 0.260 1469 G HA3 -0.342 3.618 3.960 0.001 0.000 0.260 1469 G C 1.261 176.056 174.900 -0.175 0.000 0.977 1469 G CA 0.497 45.326 45.100 -0.452 0.000 0.641 1469 G HN 0.655 nan 8.290 nan 0.000 0.533 1470 D N 0.965 121.419 120.400 0.089 0.000 2.182 1470 D HA -0.081 4.560 4.640 0.001 0.000 0.201 1470 D C 2.459 178.794 176.300 0.058 0.000 0.986 1470 D CA 1.411 55.596 54.000 0.308 0.000 0.847 1470 D CB -0.094 40.986 40.800 0.466 0.000 0.942 1470 D HN 0.748 nan 8.370 nan 0.000 0.467 1471 E N 1.398 121.305 120.200 -0.488 0.000 2.204 1471 E HA -0.170 4.181 4.350 0.001 0.000 0.195 1471 E C 2.330 178.610 176.600 -0.533 0.000 0.990 1471 E CA 0.380 56.112 56.400 -1.114 0.000 0.821 1471 E CB -0.794 28.295 29.700 -1.018 0.000 0.750 1471 E HN 0.333 nan 8.360 nan 0.000 0.477 1472 L N -0.194 120.793 121.223 -0.394 0.000 2.089 1472 L HA -0.209 4.132 4.340 0.001 0.000 0.213 1472 L C 2.631 179.247 176.870 -0.423 0.000 1.079 1472 L CA 1.796 56.382 54.840 -0.424 0.000 0.758 1472 L CB -0.683 40.971 42.059 -0.674 0.000 0.891 1472 L HN 0.045 nan 8.230 nan 0.000 0.433 1473 F N -0.709 119.144 119.950 -0.163 0.000 2.234 1473 F HA -0.148 4.380 4.527 0.001 0.000 0.299 1473 F C 2.629 178.355 175.800 -0.124 0.000 1.087 1473 F CA 1.179 59.095 58.000 -0.140 0.000 1.340 1473 F CB -0.490 38.492 39.000 -0.030 0.000 1.031 1473 F HN -0.029 nan 8.300 nan 0.000 0.500 1474 S N -0.236 115.460 115.700 -0.008 0.000 2.377 1474 S HA -0.083 4.388 4.470 0.001 0.000 0.223 1474 S C 2.273 176.722 174.600 -0.252 0.000 1.030 1474 S CA 0.902 59.049 58.200 -0.088 0.000 0.970 1474 S CB -0.461 62.679 63.200 -0.101 0.000 0.830 1474 S HN 0.117 nan 8.310 nan 0.000 0.473 1475 V N 0.789 120.452 119.914 -0.419 0.000 2.343 1475 V HA -0.105 4.016 4.120 0.001 0.000 0.247 1475 V C 1.425 177.191 176.094 -0.548 0.000 1.051 1475 V CA 1.593 63.528 62.300 -0.608 0.000 1.036 1475 V CB -0.672 30.768 31.823 -0.637 0.000 0.654 1475 V HN 0.445 nan 8.190 nan 0.000 0.451 1476 F N 0.483 120.224 119.950 -0.348 0.000 2.692 1476 F HA 0.461 4.989 4.527 0.001 0.000 0.303 1476 F C 1.635 177.301 175.800 -0.225 0.000 1.114 1476 F CA 0.456 58.275 58.000 -0.303 0.000 1.361 1476 F CB -0.279 38.502 39.000 -0.366 0.000 1.063 1476 F HN 0.247 nan 8.300 nan 0.000 0.550 1477 G N 0.796 109.560 108.800 -0.060 0.000 2.314 1477 G HA2 -0.267 3.694 3.960 0.001 0.000 0.292 1477 G HA3 -0.267 3.694 3.960 0.001 0.000 0.292 1477 G C 1.225 176.201 174.900 0.127 0.000 1.059 1477 G CA 0.271 45.429 45.100 0.096 0.000 0.982 1477 G HN 0.581 nan 8.290 nan 0.000 0.505 1478 A N 0.148 122.958 122.820 -0.017 0.000 1.908 1478 A HA 0.109 4.429 4.320 0.001 0.000 0.218 1478 A C 0.641 178.094 177.584 -0.218 0.000 1.181 1478 A CA 2.157 54.059 52.037 -0.224 0.000 0.627 1478 A CB -0.762 17.975 19.000 -0.439 0.000 0.818 1478 A HN 0.479 nan 8.150 nan 0.000 0.445 1479 P HA -0.099 nan 4.420 nan 0.000 0.223 1479 P C 0.392 177.435 177.300 -0.427 0.000 1.144 1479 P CA 0.885 63.888 63.100 -0.162 0.000 0.783 1479 P CB -0.133 31.362 31.700 -0.341 0.000 0.771 1480 F N -2.742 117.209 119.950 0.002 0.000 2.695 1480 F HA 0.241 4.769 4.527 0.001 0.000 0.303 1480 F C 1.691 177.493 175.800 0.004 0.000 1.091 1480 F CA 0.328 58.335 58.000 0.011 0.000 1.300 1480 F CB -0.199 38.770 39.000 -0.051 0.000 1.071 1480 F HN -0.174 nan 8.300 nan 0.000 0.578 1481 L N -1.697 119.580 121.223 0.091 0.000 2.694 1481 L HA 0.210 4.551 4.340 0.001 0.000 0.228 1481 L C 1.205 178.093 176.870 0.029 0.000 1.048 1481 L CA 0.130 55.002 54.840 0.053 0.000 0.887 1481 L CB 0.130 42.196 42.059 0.011 0.000 1.265 1481 L HN -0.213 nan 8.230 nan 0.000 0.492 1482 K N 0.601 121.002 120.400 0.003 0.000 2.627 1482 K HA 0.338 4.659 4.320 0.001 0.000 0.269 1482 K C -0.391 176.287 176.600 0.129 0.000 1.029 1482 K CA -0.409 55.916 56.287 0.062 0.000 1.026 1482 K CB 0.631 33.157 32.500 0.042 0.000 1.350 1482 K HN -0.039 nan 8.250 nan 0.000 0.506 1483 E N -1.129 119.174 120.200 0.172 0.000 2.299 1483 E HA 0.298 4.649 4.350 0.001 0.000 0.265 1483 E C -0.569 176.082 176.600 0.085 0.000 0.911 1483 E CA -0.567 55.898 56.400 0.109 0.000 0.789 1483 E CB 1.776 31.515 29.700 0.065 0.000 1.246 1483 E HN 0.752 nan 8.360 nan 0.000 0.427 1484 G N 0.856 109.669 108.800 0.022 0.000 2.314 1484 G HA2 -0.181 3.779 3.960 0.001 0.000 0.292 1484 G HA3 -0.181 3.779 3.960 0.001 0.000 0.292 1484 G C -0.156 174.688 174.900 -0.092 0.000 1.059 1484 G CA 0.301 45.380 45.100 -0.035 0.000 0.982 1484 G HN 0.537 nan 8.290 nan 0.000 0.505 1485 A N 0.475 123.257 122.820 -0.062 0.000 2.274 1485 A HA 0.838 5.159 4.320 0.001 0.000 0.309 1485 A C 0.929 178.461 177.584 -0.087 0.000 1.226 1485 A CA 0.609 52.583 52.037 -0.105 0.000 0.853 1485 A CB 0.620 19.606 19.000 -0.023 0.000 1.146 1485 A HN 2.084 nan 8.150 nan 0.000 0.518 1486 S N 1.706 117.353 115.700 -0.089 0.000 2.566 1486 S HA 0.030 4.501 4.470 0.001 0.000 0.280 1486 S C 0.918 175.496 174.600 -0.037 0.000 1.343 1486 S CA 0.595 58.764 58.200 -0.052 0.000 1.036 1486 S CB 0.697 63.875 63.200 -0.036 0.000 0.866 1486 S HN 0.781 nan 8.310 nan 0.000 0.526 1487 E N 0.967 121.153 120.200 -0.022 0.000 2.160 1487 E HA -0.223 4.128 4.350 0.001 0.000 0.195 1487 E C 1.898 178.495 176.600 -0.004 0.000 0.991 1487 E CA 1.966 58.358 56.400 -0.012 0.000 0.810 1487 E CB -0.346 29.354 29.700 0.000 0.000 0.742 1487 E HN 0.902 nan 8.360 nan 0.000 0.466 1488 E N 0.184 120.389 120.200 0.009 0.000 2.077 1488 E HA -0.279 4.072 4.350 0.001 0.000 0.193 1488 E C 2.039 178.645 176.600 0.009 0.000 0.989 1488 E CA 1.476 57.894 56.400 0.030 0.000 0.800 1488 E CB -0.174 29.567 29.700 0.069 0.000 0.746 1488 E HN 0.413 nan 8.360 nan 0.000 0.452 1489 E N 0.167 120.370 120.200 0.005 0.000 2.072 1489 E HA -0.154 4.197 4.350 0.001 0.000 0.191 1489 E C 2.193 178.749 176.600 -0.073 0.000 0.985 1489 E CA 1.182 57.549 56.400 -0.055 0.000 0.801 1489 E CB -0.062 29.632 29.700 -0.010 0.000 0.750 1489 E HN 0.379 nan 8.360 nan 0.000 0.452 1490 I N 0.445 120.966 120.570 -0.083 0.000 2.208 1490 I HA -0.293 3.877 4.170 0.001 0.000 0.245 1490 I C 2.764 178.892 176.117 0.018 0.000 1.097 1490 I CA 1.139 62.352 61.300 -0.145 0.000 1.363 1490 I CB -0.269 37.636 38.000 -0.159 0.000 1.051 1490 I HN 0.084 nan 8.210 nan 0.000 0.413 1491 R N 0.735 121.251 120.500 0.026 0.000 2.073 1491 R HA -0.172 4.169 4.340 0.001 0.000 0.229 1491 R C 2.342 178.661 176.300 0.031 0.000 1.120 1491 R CA 1.128 57.262 56.100 0.055 0.000 0.967 1491 R CB -0.194 30.126 30.300 0.033 0.000 0.862 1491 R HN 0.191 nan 8.270 nan 0.000 0.436 1492 L N 0.399 121.604 121.223 -0.029 0.000 1.989 1492 L HA -0.183 4.158 4.340 0.001 0.000 0.211 1492 L C 2.263 179.118 176.870 -0.024 0.000 1.071 1492 L CA 2.309 57.104 54.840 -0.074 0.000 0.749 1492 L CB -1.031 40.870 42.059 -0.263 0.000 0.890 1492 L HN 0.162 nan 8.230 nan 0.000 0.431 1493 S N -0.857 114.845 115.700 0.004 0.000 2.359 1493 S HA -0.271 4.200 4.470 0.001 0.000 0.224 1493 S C 2.121 176.771 174.600 0.083 0.000 1.035 1493 S CA 1.777 60.010 58.200 0.055 0.000 1.018 1493 S CB -0.294 63.004 63.200 0.162 0.000 0.876 1493 S HN 0.534 nan 8.310 nan 0.000 0.448 1494 K N 0.144 120.656 120.400 0.187 0.000 2.074 1494 K HA -0.163 4.158 4.320 0.001 0.000 0.209 1494 K C 2.317 178.933 176.600 0.028 0.000 1.048 1494 K CA 1.870 58.248 56.287 0.152 0.000 0.926 1494 K CB -0.304 32.326 32.500 0.217 0.000 0.713 1494 K HN 0.470 nan 8.250 nan 0.000 0.444 1495 M N 0.580 120.181 119.600 0.002 0.000 2.067 1495 M HA -0.199 4.281 4.480 0.001 0.000 0.260 1495 M C 2.041 178.318 176.300 -0.038 0.000 1.069 1495 M CA 1.569 56.826 55.300 -0.070 0.000 1.117 1495 M CB 0.009 32.598 32.600 -0.017 0.000 1.334 1495 M HN -0.049 nan 8.290 nan 0.000 0.407 1496 V N 0.842 120.761 119.914 0.009 0.000 2.287 1496 V HA -0.346 3.774 4.120 0.001 0.000 0.248 1496 V C 2.404 178.434 176.094 -0.107 0.000 1.053 1496 V CA 2.146 64.409 62.300 -0.063 0.000 1.027 1496 V CB -0.762 30.823 31.823 -0.397 0.000 0.646 1496 V HN 0.567 nan 8.190 nan 0.000 0.447 1497 M N -0.858 118.646 119.600 -0.159 0.000 2.106 1497 M HA -0.209 4.272 4.480 0.001 0.000 0.259 1497 M C 2.384 178.707 176.300 0.038 0.000 1.068 1497 M CA 1.778 57.006 55.300 -0.120 0.000 1.100 1497 M CB -0.625 31.888 32.600 -0.144 0.000 1.351 1497 M HN 0.232 nan 8.290 nan 0.000 0.404 1498 K N 0.279 120.689 120.400 0.017 0.000 2.009 1498 K HA -0.116 4.205 4.320 0.001 0.000 0.210 1498 K C 1.860 178.539 176.600 0.131 0.000 1.049 1498 K CA 1.721 58.012 56.287 0.007 0.000 0.929 1498 K CB -0.623 31.800 32.500 -0.130 0.000 0.714 1498 K HN 0.309 nan 8.250 nan 0.000 0.440 1499 F N -0.149 119.944 119.950 0.238 0.000 2.065 1499 F HA -0.284 4.244 4.527 0.002 0.000 0.298 1499 F C 2.621 178.635 175.800 0.357 0.000 1.112 1499 F CA 1.022 59.231 58.000 0.348 0.000 1.212 1499 F CB -0.335 39.029 39.000 0.607 0.000 0.975 1499 F HN 0.255 nan 8.300 nan 0.000 0.476 1500 W N 0.161 121.574 121.300 0.189 0.000 2.329 1500 W HA -0.301 4.360 4.660 0.002 0.000 0.324 1500 W C 2.705 179.232 176.519 0.014 0.000 1.222 1500 W CA 0.951 58.315 57.345 0.032 0.000 1.270 1500 W CB -0.887 28.516 29.460 -0.096 0.000 1.167 1500 W HN 0.026 nan 8.180 nan 0.000 0.467 1501 A N 0.787 123.740 122.820 0.221 0.000 1.917 1501 A HA -0.282 4.039 4.320 0.001 0.000 0.219 1501 A C 1.714 179.350 177.584 0.086 0.000 1.182 1501 A CA 2.202 54.293 52.037 0.089 0.000 0.633 1501 A CB -1.187 17.846 19.000 0.055 0.000 0.819 1501 A HN 0.341 nan 8.150 nan 0.000 0.448 1502 N N -1.075 117.701 118.700 0.126 0.000 2.104 1502 N HA -0.160 4.580 4.740 0.001 0.000 0.190 1502 N C 1.451 177.008 175.510 0.078 0.000 1.024 1502 N CA 1.598 54.707 53.050 0.098 0.000 0.853 1502 N CB -0.646 37.921 38.487 0.133 0.000 1.008 1502 N HN 0.530 nan 8.380 nan 0.000 0.424 1503 F N 1.872 121.776 119.950 -0.077 0.000 2.069 1503 F HA -0.127 4.401 4.527 0.001 0.000 0.298 1503 F C 2.260 177.994 175.800 -0.110 0.000 1.113 1503 F CA 1.455 59.351 58.000 -0.174 0.000 1.214 1503 F CB -0.718 38.096 39.000 -0.311 0.000 0.978 1503 F HN 0.050 nan 8.300 nan 0.000 0.474 1504 A N 0.239 123.029 122.820 -0.050 0.000 1.986 1504 A HA -0.234 4.086 4.320 0.001 0.000 0.220 1504 A C 2.345 179.855 177.584 -0.124 0.000 1.171 1504 A CA 1.994 53.962 52.037 -0.115 0.000 0.640 1504 A CB -0.697 18.270 19.000 -0.053 0.000 0.811 1504 A HN 0.507 nan 8.150 nan 0.000 0.451 1505 R N -0.845 119.603 120.500 -0.088 0.000 2.051 1505 R HA 0.020 4.361 4.340 0.001 0.000 0.225 1505 R C 1.056 177.292 176.300 -0.107 0.000 1.155 1505 R CA 1.361 57.419 56.100 -0.070 0.000 0.945 1505 R CB -0.185 30.099 30.300 -0.026 0.000 0.840 1505 R HN 0.541 nan 8.270 nan 0.000 0.432 1506 N N -0.743 117.888 118.700 -0.115 0.000 2.205 1506 N HA 0.070 4.811 4.740 0.001 0.000 0.201 1506 N C 0.464 175.861 175.510 -0.188 0.000 1.128 1506 N CA 0.810 53.792 53.050 -0.113 0.000 0.867 1506 N CB 1.665 40.126 38.487 -0.043 0.000 0.996 1506 N HN 0.399 nan 8.380 nan 0.000 0.503 1507 G N 1.817 110.367 108.800 -0.417 0.000 2.176 1507 G HA2 -0.264 3.697 3.960 0.001 0.000 0.252 1507 G HA3 -0.264 3.697 3.960 0.001 0.000 0.252 1507 G C -0.209 174.561 174.900 -0.217 0.000 1.024 1507 G CA 0.164 44.849 45.100 -0.690 0.000 0.755 1507 G HN 0.474 nan 8.290 nan 0.000 0.507 1508 N N -0.621 118.034 118.700 -0.075 0.000 2.578 1508 N HA 0.315 5.056 4.740 0.001 0.000 0.282 1508 N C -1.470 174.004 175.510 -0.060 0.000 1.119 1508 N CA -1.065 51.957 53.050 -0.047 0.000 0.948 1508 N CB 2.107 40.619 38.487 0.041 0.000 1.546 1508 N HN -0.055 nan 8.380 nan 0.000 0.525 1509 P HA -0.102 nan 4.420 nan 0.000 0.218 1509 P C -0.018 177.461 177.300 0.299 0.000 1.149 1509 P CA 0.701 63.790 63.100 -0.018 0.000 0.817 1509 P CB 0.290 31.685 31.700 -0.508 0.000 0.785 1510 N N 0.793 119.606 118.700 0.188 0.000 2.305 1510 N HA 0.215 4.956 4.740 0.001 0.000 0.232 1510 N C 0.995 176.626 175.510 0.202 0.000 1.274 1510 N CA 1.454 54.679 53.050 0.292 0.000 0.870 1510 N CB 0.137 38.776 38.487 0.254 0.000 1.105 1510 N HN 0.211 nan 8.380 nan 0.000 0.436 1511 G N -0.463 108.446 108.800 0.182 0.000 2.338 1511 G HA2 0.173 4.134 3.960 0.001 0.000 0.295 1511 G HA3 0.173 4.134 3.960 0.001 0.000 0.295 1511 G C -1.512 173.434 174.900 0.077 0.000 1.461 1511 G CA -0.819 44.341 45.100 0.100 0.000 0.817 1511 G HN 0.586 nan 8.290 nan 0.000 0.556 1512 E N -0.458 119.772 120.200 0.050 0.000 2.384 1512 E HA 0.447 4.798 4.350 0.001 0.000 0.266 1512 E C 1.104 177.711 176.600 0.010 0.000 1.012 1512 E CA 0.228 56.650 56.400 0.038 0.000 0.901 1512 E CB 1.136 30.852 29.700 0.027 0.000 0.967 1512 E HN 2.170 nan 8.360 nan 0.000 0.435 1513 G N 2.725 111.533 108.800 0.015 0.000 2.194 1513 G HA2 -0.248 3.713 3.960 0.001 0.000 0.236 1513 G HA3 -0.248 3.713 3.960 0.001 0.000 0.236 1513 G C -0.012 174.870 174.900 -0.030 0.000 0.987 1513 G CA 0.107 45.203 45.100 -0.008 0.000 0.635 1513 G HN 0.442 nan 8.290 nan 0.000 0.520 1514 L N 0.912 122.119 121.223 -0.027 0.000 2.346 1514 L HA 0.555 4.895 4.340 0.001 0.000 0.274 1514 L C -1.885 175.076 176.870 0.152 0.000 1.007 1514 L CA -2.365 52.435 54.840 -0.067 0.000 0.818 1514 L CB 1.625 43.451 42.059 -0.389 0.000 1.284 1514 L HN -0.150 nan 8.230 nan 0.000 0.424 1515 P HA -0.075 nan 4.420 nan 0.000 0.270 1515 P C -0.882 176.662 177.300 0.407 0.000 1.216 1515 P CA -0.006 63.263 63.100 0.281 0.000 0.788 1515 P CB 0.263 32.114 31.700 0.252 0.000 0.883 1516 H N 0.825 120.033 119.070 0.231 0.000 2.646 1516 H HA 0.223 4.780 4.556 0.001 0.000 0.325 1516 H C -1.080 174.433 175.328 0.308 0.000 1.075 1516 H CA -0.142 56.064 56.048 0.265 0.000 1.421 1516 H CB 0.207 30.078 29.762 0.182 0.000 1.461 1516 H HN 0.328 nan 8.280 nan 0.000 0.525 1517 W N 9.710 130.800 121.300 -0.350 0.000 2.294 1517 W HA 0.315 4.976 4.660 0.001 0.000 0.314 1517 W C -2.768 173.541 176.519 -0.350 0.000 1.044 1517 W CA -3.178 53.999 57.345 -0.279 0.000 1.284 1517 W CB 0.931 30.221 29.460 -0.283 0.000 1.231 1517 W HN 0.567 nan 8.180 nan 0.000 0.419 1518 P HA 0.031 nan 4.420 nan 0.000 0.275 1518 P C -0.234 177.262 177.300 0.327 0.000 1.227 1518 P CA 0.201 63.425 63.100 0.207 0.000 0.781 1518 P CB 1.392 33.205 31.700 0.188 0.000 0.906 1519 E N 2.406 122.682 120.200 0.127 0.000 2.383 1519 E HA -0.010 4.341 4.350 0.001 0.000 0.264 1519 E C -0.932 175.602 176.600 -0.111 0.000 1.050 1519 E CA -0.583 55.640 56.400 -0.295 0.000 0.896 1519 E CB 0.293 29.767 29.700 -0.377 0.000 0.982 1519 E HN 0.397 nan 8.360 nan 0.000 0.424 1520 Y N 5.729 125.867 120.300 -0.269 0.000 2.620 1520 Y HA 0.014 4.565 4.550 0.001 0.000 0.352 1520 Y C -0.087 175.766 175.900 -0.078 0.000 1.140 1520 Y CA -0.046 58.012 58.100 -0.070 0.000 1.529 1520 Y CB -0.404 38.035 38.460 -0.034 0.000 1.321 1520 Y HN 0.504 nan 8.280 nan 0.000 0.501 1521 N N 0.866 119.455 118.700 -0.184 0.000 3.223 1521 N HA 0.135 4.876 4.740 0.001 0.000 0.350 1521 N C 0.655 176.052 175.510 -0.187 0.000 1.425 1521 N CA -0.359 52.620 53.050 -0.117 0.000 0.668 1521 N CB 0.171 38.616 38.487 -0.070 0.000 1.435 1521 N HN 0.263 nan 8.380 nan 0.000 0.569 1522 Q N -0.407 119.331 119.800 -0.102 0.000 2.170 1522 Q HA -0.006 4.335 4.340 0.001 0.000 0.203 1522 Q C 1.075 177.006 176.000 -0.114 0.000 0.976 1522 Q CA 1.402 57.152 55.803 -0.087 0.000 0.858 1522 Q CB -0.375 28.340 28.738 -0.039 0.000 0.907 1522 Q HN 0.504 nan 8.270 nan 0.000 0.433 1523 K N 0.853 121.184 120.400 -0.116 0.000 2.432 1523 K HA -0.024 4.297 4.320 0.001 0.000 0.196 1523 K C -0.112 176.394 176.600 -0.157 0.000 1.038 1523 K CA 0.089 56.319 56.287 -0.094 0.000 0.986 1523 K CB 0.206 32.675 32.500 -0.052 0.000 0.782 1523 K HN 0.208 nan 8.250 nan 0.000 0.485 1524 E N -0.304 119.685 120.200 -0.350 0.000 2.246 1524 E HA -0.160 4.191 4.350 0.001 0.000 0.211 1524 E C -0.112 176.347 176.600 -0.235 0.000 1.278 1524 E CA 0.314 56.318 56.400 -0.660 0.000 0.694 1524 E CB -1.874 27.579 29.700 -0.413 0.000 1.166 1524 E HN 0.445 nan 8.360 nan 0.000 0.370 1525 G N 1.005 109.730 108.800 -0.126 0.000 2.395 1525 G HA2 0.511 4.471 3.960 0.001 0.000 0.283 1525 G HA3 0.511 4.471 3.960 0.001 0.000 0.283 1525 G C -0.442 174.650 174.900 0.320 0.000 1.178 1525 G CA -0.292 44.850 45.100 0.070 0.000 0.837 1525 G HN 0.306 nan 8.290 nan 0.000 0.518 1526 Y N 0.137 120.563 120.300 0.210 0.000 2.644 1526 Y HA 0.743 5.293 4.550 0.001 0.000 0.338 1526 Y C -1.443 174.483 175.900 0.043 0.000 1.119 1526 Y CA -1.910 56.360 58.100 0.284 0.000 1.060 1526 Y CB 1.666 40.292 38.460 0.276 0.000 1.294 1526 Y HN 0.544 nan 8.280 nan 0.000 0.472 1527 L N 2.444 123.625 121.223 -0.069 0.000 2.295 1527 L HA 0.477 4.817 4.340 0.001 0.000 0.285 1527 L C -0.823 175.945 176.870 -0.169 0.000 1.035 1527 L CA -0.423 54.078 54.840 -0.564 0.000 0.806 1527 L CB 1.725 42.723 42.059 -1.768 0.000 1.214 1527 L HN 0.772 nan 8.230 nan 0.000 0.426 1528 Q N 5.989 125.695 119.800 -0.156 0.000 2.360 1528 Q HA 0.449 4.790 4.340 0.001 0.000 0.254 1528 Q C -0.969 174.997 176.000 -0.056 0.000 0.975 1528 Q CA -0.202 55.615 55.803 0.023 0.000 0.912 1528 Q CB 1.411 30.165 28.738 0.026 0.000 1.212 1528 Q HN 0.593 nan 8.270 nan 0.000 0.452 1529 I N 1.605 122.165 120.570 -0.017 0.000 2.385 1529 I HA 0.677 4.848 4.170 0.001 0.000 0.294 1529 I C 0.758 176.774 176.117 -0.168 0.000 0.988 1529 I CA -0.217 61.047 61.300 -0.059 0.000 1.265 1529 I CB 1.479 39.501 38.000 0.036 0.000 1.388 1529 I HN 0.766 nan 8.210 nan 0.000 0.480 1530 G N 2.997 111.709 108.800 -0.147 0.000 2.367 1530 G HA2 0.307 4.268 3.960 0.001 0.000 0.272 1530 G HA3 0.307 4.268 3.960 0.001 0.000 0.272 1530 G C 0.248 175.163 174.900 0.024 0.000 1.271 1530 G CA -0.002 45.021 45.100 -0.128 0.000 0.893 1530 G HN 0.606 nan 8.290 nan 0.000 0.485 1531 A N -0.395 122.512 122.820 0.144 0.000 1.892 1531 A HA 0.043 4.364 4.320 0.001 0.000 0.218 1531 A C 1.042 178.654 177.584 0.047 0.000 1.188 1531 A CA 1.893 54.006 52.037 0.125 0.000 0.631 1531 A CB -0.479 18.569 19.000 0.080 0.000 0.822 1531 A HN 0.537 nan 8.150 nan 0.000 0.447 1532 N N 0.829 119.541 118.700 0.021 0.000 2.621 1532 N HA 0.241 4.982 4.740 0.001 0.000 0.237 1532 N C -1.329 174.181 175.510 0.000 0.000 0.997 1532 N CA 0.052 53.109 53.050 0.011 0.000 0.918 1532 N CB 1.105 39.594 38.487 0.004 0.000 1.122 1532 N HN 0.129 nan 8.380 nan 0.000 0.510 1533 T N 3.191 117.750 114.554 0.008 0.000 2.723 1533 T HA 0.203 4.554 4.350 0.001 0.000 0.297 1533 T C 0.365 175.061 174.700 -0.007 0.000 0.925 1533 T CA -0.412 61.686 62.100 -0.004 0.000 1.030 1533 T CB 0.443 69.332 68.868 0.036 0.000 0.905 1533 T HN 0.403 nan 8.240 nan 0.000 0.502 1534 Q N 1.982 121.753 119.800 -0.049 0.000 2.462 1534 Q HA 0.711 5.052 4.340 0.001 0.000 0.285 1534 Q C -0.993 174.930 176.000 -0.128 0.000 1.035 1534 Q CA -1.146 54.626 55.803 -0.051 0.000 0.799 1534 Q CB 1.640 30.362 28.738 -0.027 0.000 1.452 1534 Q HN 0.506 nan 8.270 nan 0.000 0.404 1535 A N 0.925 123.674 122.820 -0.118 0.000 2.346 1535 A HA 0.775 5.096 4.320 0.001 0.000 0.255 1535 A C -0.051 177.363 177.584 -0.284 0.000 1.113 1535 A CA 0.651 52.569 52.037 -0.199 0.000 0.798 1535 A CB -0.096 18.860 19.000 -0.075 0.000 1.073 1535 A HN 1.381 nan 8.150 nan 0.000 0.502 1536 A N -0.983 121.556 122.820 -0.468 0.000 2.506 1536 A HA 0.697 5.018 4.320 0.001 0.000 0.305 1536 A C -0.971 176.346 177.584 -0.445 0.000 1.166 1536 A CA -0.482 51.247 52.037 -0.513 0.000 0.638 1536 A CB 0.665 19.214 19.000 -0.751 0.000 1.336 1536 A HN 0.858 nan 8.150 nan 0.000 0.493 1537 Q N -0.403 119.294 119.800 -0.170 0.000 2.511 1537 Q HA 0.543 4.884 4.340 0.001 0.000 0.289 1537 Q C -1.395 174.781 176.000 0.294 0.000 1.021 1537 Q CA -1.049 54.802 55.803 0.080 0.000 0.785 1537 Q CB 2.024 30.776 28.738 0.023 0.000 1.472 1537 Q HN 0.634 nan 8.270 nan 0.000 0.411 1538 K N 1.134 121.673 120.400 0.233 0.000 4.040 1538 K HA -0.223 4.098 4.320 0.001 0.000 0.279 1538 K C -0.639 176.100 176.600 0.233 0.000 0.890 1538 K CA 0.032 56.435 56.287 0.194 0.000 0.782 1538 K CB -1.234 31.337 32.500 0.117 0.000 1.613 1538 K HN 0.373 nan 8.250 nan 0.000 0.440 1539 L N 2.017 123.370 121.223 0.217 0.000 2.455 1539 L HA 0.016 4.356 4.340 0.001 0.000 0.272 1539 L C 0.638 177.504 176.870 -0.007 0.000 1.174 1539 L CA 0.543 55.324 54.840 -0.099 0.000 0.869 1539 L CB 0.429 42.089 42.059 -0.665 0.000 1.130 1539 L HN 0.337 nan 8.230 nan 0.000 0.474 1540 K N 2.726 123.128 120.400 0.004 0.000 2.960 1540 K HA -0.302 4.019 4.320 0.001 0.000 0.259 1540 K C 0.942 177.599 176.600 0.095 0.000 1.025 1540 K CA 1.198 57.517 56.287 0.054 0.000 0.756 1540 K CB -1.343 31.180 32.500 0.037 0.000 1.221 1540 K HN 0.922 nan 8.250 nan 0.000 0.483 1541 D N 1.017 121.476 120.400 0.098 0.000 2.097 1541 D HA -0.154 4.487 4.640 0.001 0.000 0.195 1541 D C 1.767 178.134 176.300 0.112 0.000 0.989 1541 D CA 1.523 55.587 54.000 0.107 0.000 0.827 1541 D CB 0.220 41.079 40.800 0.099 0.000 0.966 1541 D HN 0.522 nan 8.370 nan 0.000 0.456 1542 K N 0.351 120.809 120.400 0.097 0.000 2.009 1542 K HA -0.214 4.107 4.320 0.001 0.000 0.210 1542 K C 2.042 178.739 176.600 0.162 0.000 1.049 1542 K CA 1.644 57.986 56.287 0.092 0.000 0.929 1542 K CB 0.073 32.595 32.500 0.037 0.000 0.714 1542 K HN -0.056 nan 8.250 nan 0.000 0.440 1543 E N 0.425 120.745 120.200 0.200 0.000 2.023 1543 E HA -0.192 4.159 4.350 0.001 0.000 0.196 1543 E C 2.012 178.871 176.600 0.433 0.000 1.003 1543 E CA 1.612 58.242 56.400 0.385 0.000 0.809 1543 E CB -0.538 29.395 29.700 0.389 0.000 0.755 1543 E HN 0.086 nan 8.360 nan 0.000 0.449 1544 V N 1.383 121.460 119.914 0.273 0.000 2.231 1544 V HA -0.378 3.743 4.120 0.001 0.000 0.250 1544 V C 2.278 178.490 176.094 0.197 0.000 1.058 1544 V CA 2.235 64.661 62.300 0.210 0.000 1.022 1544 V CB -1.158 30.747 31.823 0.137 0.000 0.640 1544 V HN 0.423 nan 8.190 nan 0.000 0.445 1545 A N -0.396 122.526 122.820 0.171 0.000 1.884 1545 A HA -0.309 4.012 4.320 0.001 0.000 0.219 1545 A C 2.086 179.753 177.584 0.139 0.000 1.197 1545 A CA 2.546 54.664 52.037 0.136 0.000 0.637 1545 A CB -0.822 18.251 19.000 0.121 0.000 0.827 1545 A HN 0.576 nan 8.150 nan 0.000 0.450 1546 F N -0.913 119.055 119.950 0.029 0.000 1.997 1546 F HA -0.190 4.338 4.527 0.002 0.000 0.296 1546 F C 2.065 177.802 175.800 -0.104 0.000 1.160 1546 F CA 1.875 59.833 58.000 -0.071 0.000 1.176 1546 F CB -1.166 37.748 39.000 -0.144 0.000 0.964 1546 F HN 0.365 nan 8.300 nan 0.000 0.484 1547 W N 0.993 121.996 121.300 -0.495 0.000 2.292 1547 W HA -0.268 4.392 4.660 0.001 0.000 0.304 1547 W C 2.629 178.824 176.519 -0.538 0.000 1.228 1547 W CA 2.254 59.152 57.345 -0.745 0.000 1.241 1547 W CB -1.289 27.892 29.460 -0.466 0.000 1.142 1547 W HN 0.044 nan 8.180 nan 0.000 0.520 1548 T N 0.060 114.603 114.554 -0.019 0.000 2.699 1548 T HA -0.263 4.088 4.350 0.001 0.000 0.268 1548 T C 1.173 175.881 174.700 0.013 0.000 1.036 1548 T CA 2.007 64.138 62.100 0.052 0.000 1.147 1548 T CB -0.582 68.329 68.868 0.072 0.000 0.862 1548 T HN 0.341 nan 8.240 nan 0.000 0.446 1549 N N 0.911 119.556 118.700 -0.091 0.000 2.135 1549 N HA 0.013 4.754 4.740 0.001 0.000 0.186 1549 N C 1.696 177.133 175.510 -0.121 0.000 1.027 1549 N CA 0.494 53.496 53.050 -0.081 0.000 0.849 1549 N CB -0.328 38.111 38.487 -0.081 0.000 1.002 1549 N HN 0.104 nan 8.380 nan 0.000 0.425 1550 L N 0.428 121.440 121.223 -0.351 0.000 2.189 1550 L HA -0.063 4.278 4.340 0.001 0.000 0.214 1550 L C 1.345 178.223 176.870 0.014 0.000 1.097 1550 L CA 1.570 56.211 54.840 -0.333 0.000 0.764 1550 L CB -0.530 41.032 42.059 -0.828 0.000 0.900 1550 L HN 0.259 nan 8.230 nan 0.000 0.436 1551 F N -1.409 118.503 119.950 -0.064 0.000 2.569 1551 F HA 0.076 4.604 4.527 0.001 0.000 0.295 1551 F C 2.121 177.919 175.800 -0.003 0.000 1.115 1551 F CA 0.119 58.124 58.000 0.009 0.000 1.450 1551 F CB -0.030 38.994 39.000 0.040 0.000 1.107 1551 F HN 0.185 nan 8.300 nan 0.000 0.563 1552 A N 0.702 123.622 122.820 0.167 0.000 2.261 1552 A HA 0.021 4.342 4.320 0.001 0.000 0.208 1552 A C 0.876 178.498 177.584 0.063 0.000 1.223 1552 A CA 0.210 52.299 52.037 0.087 0.000 0.833 1552 A CB -0.631 18.403 19.000 0.056 0.000 0.830 1552 A HN 0.382 nan 8.150 nan 0.000 0.483 1553 K N 0.000 120.449 120.400 0.082 0.000 2.780 1553 K HA 0.000 4.321 4.320 0.001 0.000 0.191 1553 K CA 0.000 56.324 56.287 0.061 0.000 0.838 1553 K CB 0.000 32.532 32.500 0.053 0.000 1.064 1553 K HN 0.000 nan 8.250 nan 0.000 0.543