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 1mzz_1_B DATA FIRST_RESID 1039 DATA SEQUENCE VDLSNLPRVK HTLVPPPFAH AHEQVAASGP VINEFEMRII EKEVQLDEDA DATA SEQUENCE YLQAMTFDGS IPGPLMIVHE GDYVELTLIN PPENTMPHNI DFHAATGALG DATA SEQUENCE GGGLTLINPG EKVVLRFKAT RAGAFVYHCA PGGPMIPWHV VSGTAGCIMV DATA SEQUENCE LPRDGLKDHE GKPVRYDTVY YIGESDHYIP KDEDGTYMRF SDPSEGYEDM DATA SEQUENCE VAVMDTLIPS HIVFNGAVGA LTGEGALKAK VGDNVLFVHS QPNRDSRPHL DATA SEQUENCE IGGHGDLVWE TGKFHNAPER DLETWFIRGG TAGAALYKFL QPGVYAYVNH DATA SEQUENCE NLIEAVHKGA TAHVLVEGEW DNDLMEQVVA PVGL 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 1039 V HA 0.000 nan 4.120 nan 0.000 0.244 1039 V C 0.000 176.074 176.094 -0.034 0.000 1.182 1039 V CA 0.000 62.301 62.300 0.002 0.000 1.235 1039 V CB 0.000 31.825 31.823 0.003 0.000 1.184 1040 D N -0.528 119.833 120.400 -0.064 0.000 3.894 1040 D HA -0.155 4.484 4.640 -0.000 0.000 0.214 1040 D C 0.614 176.841 176.300 -0.121 0.000 0.635 1040 D CA 0.810 54.766 54.000 -0.074 0.000 1.774 1040 D CB -1.200 39.569 40.800 -0.052 0.000 1.175 1040 D HN 1.755 nan 8.370 nan 0.000 0.602 1041 L N -0.567 120.567 121.223 -0.149 0.000 5.051 1041 L HA -0.274 4.065 4.340 -0.000 0.000 0.432 1041 L C 1.768 178.546 176.870 -0.154 0.000 1.055 1041 L CA 1.097 55.811 54.840 -0.210 0.000 1.095 1041 L CB -2.806 39.011 42.059 -0.402 0.000 1.957 1041 L HN 0.509 nan 8.230 nan 0.000 0.727 1042 S N -0.744 114.892 115.700 -0.106 0.000 2.419 1042 S HA -0.134 4.336 4.470 -0.000 0.000 0.233 1042 S C 1.245 175.802 174.600 -0.071 0.000 1.016 1042 S CA 1.688 59.838 58.200 -0.083 0.000 0.974 1042 S CB -0.248 62.915 63.200 -0.061 0.000 0.786 1042 S HN 0.619 nan 8.310 nan 0.000 0.492 1043 N N 0.888 119.549 118.700 -0.064 0.000 2.461 1043 N HA 0.317 5.057 4.740 -0.000 0.000 0.188 1043 N C -0.164 175.318 175.510 -0.048 0.000 1.134 1043 N CA 0.121 53.141 53.050 -0.049 0.000 0.878 1043 N CB -0.204 38.261 38.487 -0.036 0.000 0.972 1043 N HN 0.490 nan 8.380 nan 0.000 0.456 1044 L N 1.218 122.403 121.223 -0.064 0.000 2.371 1044 L HA 0.359 4.699 4.340 -0.000 0.000 0.272 1044 L C -1.931 174.908 176.870 -0.052 0.000 1.124 1044 L CA -1.810 53.002 54.840 -0.048 0.000 0.816 1044 L CB 0.366 42.392 42.059 -0.055 0.000 1.129 1044 L HN -0.129 nan 8.230 nan 0.000 0.448 1045 P HA 0.254 nan 4.420 nan 0.000 0.274 1045 P C -1.041 176.225 177.300 -0.057 0.000 1.231 1045 P CA -0.356 62.716 63.100 -0.046 0.000 0.790 1045 P CB 0.590 32.269 31.700 -0.036 0.000 0.951 1046 R N 0.843 121.297 120.500 -0.077 0.000 2.460 1046 R HA 0.601 4.941 4.340 -0.000 0.000 0.303 1046 R C -1.063 175.153 176.300 -0.140 0.000 0.968 1046 R CA -0.886 55.153 56.100 -0.103 0.000 0.889 1046 R CB 1.399 31.634 30.300 -0.108 0.000 1.123 1046 R HN 0.202 nan 8.270 nan 0.000 0.455 1047 V N 3.427 123.223 119.914 -0.197 0.000 2.444 1047 V HA 0.235 4.355 4.120 -0.000 0.000 0.294 1047 V C -0.439 175.344 176.094 -0.519 0.000 1.022 1047 V CA -0.926 61.170 62.300 -0.340 0.000 0.850 1047 V CB 1.579 33.206 31.823 -0.325 0.000 0.992 1047 V HN 0.499 nan 8.190 nan 0.000 0.426 1048 K N 4.697 124.818 120.400 -0.465 0.000 2.234 1048 K HA 0.432 4.752 4.320 -0.000 0.000 0.282 1048 K C -0.514 175.740 176.600 -0.576 0.000 1.039 1048 K CA 0.000 56.026 56.287 -0.435 0.000 0.928 1048 K CB 0.274 32.631 32.500 -0.238 0.000 1.039 1048 K HN 0.724 nan 8.250 nan 0.000 0.470 1049 H N 1.635 120.463 119.070 -0.403 0.000 2.670 1049 H HA 0.420 4.976 4.556 -0.000 0.000 0.361 1049 H C -0.536 174.698 175.328 -0.156 0.000 1.169 1049 H CA -0.678 55.158 56.048 -0.352 0.000 1.198 1049 H CB 2.061 31.401 29.762 -0.702 0.000 1.700 1049 H HN 0.507 nan 8.280 nan 0.000 0.542 1050 T N 3.142 117.736 114.554 0.067 0.000 2.788 1050 T HA 0.296 4.646 4.350 -0.000 0.000 0.296 1050 T C 0.741 175.555 174.700 0.190 0.000 1.009 1050 T CA -0.680 61.487 62.100 0.113 0.000 0.949 1050 T CB 0.428 69.351 68.868 0.091 0.000 0.946 1050 T HN 0.200 nan 8.240 nan 0.000 0.453 1051 L N 3.504 124.864 121.223 0.229 0.000 2.483 1051 L HA 0.439 4.779 4.340 -0.000 0.000 0.275 1051 L C 0.583 177.603 176.870 0.249 0.000 1.220 1051 L CA -0.329 54.682 54.840 0.284 0.000 0.833 1051 L CB 0.335 42.548 42.059 0.257 0.000 1.102 1051 L HN 0.413 nan 8.230 nan 0.000 0.490 1052 V N -0.056 120.026 119.914 0.279 0.000 2.960 1052 V HA 0.640 4.760 4.120 -0.000 0.000 0.315 1052 V C -2.576 173.669 176.094 0.252 0.000 1.087 1052 V CA -2.541 59.901 62.300 0.238 0.000 0.982 1052 V CB 1.346 33.319 31.823 0.249 0.000 1.039 1052 V HN 0.536 nan 8.190 nan 0.000 0.437 1053 P HA 0.326 nan 4.420 nan 0.000 0.271 1053 P C -2.602 174.863 177.300 0.275 0.000 1.216 1053 P CA -0.999 62.239 63.100 0.231 0.000 0.776 1053 P CB -0.001 31.818 31.700 0.198 0.000 0.881 1054 P HA 0.036 nan 4.420 nan 0.000 0.271 1054 P C -1.950 175.355 177.300 0.008 0.000 1.233 1054 P CA -1.178 61.986 63.100 0.107 0.000 0.789 1054 P CB -0.234 31.448 31.700 -0.030 0.000 0.951 1055 P HA 0.067 nan 4.420 nan 0.000 0.249 1055 P C 0.047 177.215 177.300 -0.220 0.000 1.241 1055 P CA 0.368 63.287 63.100 -0.301 0.000 0.781 1055 P CB -0.008 31.403 31.700 -0.482 0.000 1.088 1056 F N 1.488 121.547 119.950 0.182 0.000 2.362 1056 F HA 0.528 5.055 4.527 0.000 0.000 0.311 1056 F C 1.223 177.103 175.800 0.132 0.000 1.161 1056 F CA -0.708 57.396 58.000 0.174 0.000 1.085 1056 F CB 0.230 39.320 39.000 0.150 0.000 1.311 1056 F HN -0.140 nan 8.300 nan 0.000 0.524 1057 A N -0.594 122.397 122.820 0.285 0.000 2.435 1057 A HA 0.436 4.756 4.320 -0.000 0.000 0.304 1057 A C -0.669 177.016 177.584 0.169 0.000 1.064 1057 A CA -0.753 51.355 52.037 0.119 0.000 0.727 1057 A CB 0.587 19.557 19.000 -0.051 0.000 1.284 1057 A HN 0.874 nan 8.150 nan 0.000 0.415 1058 H N 1.001 120.204 119.070 0.221 0.000 2.822 1058 H HA 0.523 5.079 4.556 -0.000 0.000 0.373 1058 H C 0.405 175.922 175.328 0.314 0.000 1.223 1058 H CA 0.143 56.338 56.048 0.245 0.000 1.436 1058 H CB 0.633 30.547 29.762 0.254 0.000 1.439 1058 H HN 0.774 nan 8.280 nan 0.000 0.618 1059 A N 1.879 124.979 122.820 0.467 0.000 2.425 1059 A HA 0.371 4.691 4.320 -0.000 0.000 0.242 1059 A C -0.266 177.583 177.584 0.443 0.000 1.077 1059 A CA 0.624 52.864 52.037 0.339 0.000 0.781 1059 A CB -0.414 18.719 19.000 0.221 0.000 1.020 1059 A HN 1.070 nan 8.150 nan 0.000 0.494 1060 H N -2.022 117.139 119.070 0.151 0.000 2.863 1060 H HA 0.750 5.306 4.556 -0.000 0.000 0.274 1060 H C -1.286 174.117 175.328 0.125 0.000 1.457 1060 H CA -0.909 55.245 56.048 0.176 0.000 1.151 1060 H CB 0.654 30.460 29.762 0.074 0.000 1.844 1060 H HN 0.489 nan 8.280 nan 0.000 0.562 1061 E N -0.343 119.956 120.200 0.166 0.000 2.293 1061 E HA 0.209 4.559 4.350 -0.000 0.000 0.270 1061 E C -0.019 176.709 176.600 0.214 0.000 0.879 1061 E CA -0.720 55.699 56.400 0.031 0.000 0.756 1061 E CB 2.770 32.487 29.700 0.028 0.000 1.208 1061 E HN 0.627 nan 8.360 nan 0.000 0.428 1062 Q N 0.268 120.091 119.800 0.037 0.000 2.049 1062 Q HA 0.007 4.347 4.340 -0.000 0.000 0.198 1062 Q C 0.225 176.341 176.000 0.194 0.000 0.971 1062 Q CA 0.811 56.661 55.803 0.078 0.000 0.833 1062 Q CB 0.320 28.916 28.738 -0.236 0.000 0.896 1062 Q HN 0.243 nan 8.270 nan 0.000 0.434 1063 V N 1.668 121.591 119.914 0.016 0.000 2.406 1063 V HA 0.286 4.406 4.120 -0.000 0.000 0.272 1063 V C -0.156 175.816 176.094 -0.203 0.000 1.043 1063 V CA -0.650 61.621 62.300 -0.048 0.000 0.915 1063 V CB 0.884 32.666 31.823 -0.069 0.000 0.988 1063 V HN 0.251 nan 8.190 nan 0.000 0.466 1064 A N 4.432 126.962 122.820 -0.483 0.000 2.520 1064 A HA 0.481 4.801 4.320 -0.000 0.000 0.245 1064 A C 1.449 178.874 177.584 -0.265 0.000 1.072 1064 A CA 0.451 52.089 52.037 -0.666 0.000 0.761 1064 A CB 0.379 18.990 19.000 -0.648 0.000 1.004 1064 A HN 1.304 nan 8.150 nan 0.000 0.499 1065 A N 2.365 125.077 122.820 -0.180 0.000 2.119 1065 A HA 0.331 4.651 4.320 -0.000 0.000 0.216 1065 A C 1.422 178.960 177.584 -0.077 0.000 1.152 1065 A CA 1.546 53.527 52.037 -0.094 0.000 0.708 1065 A CB -0.446 18.519 19.000 -0.059 0.000 0.805 1065 A HN 1.723 nan 8.150 nan 0.000 0.460 1066 S N -2.889 112.762 115.700 -0.081 0.000 3.121 1066 S HA 0.665 5.135 4.470 -0.000 0.000 0.324 1066 S C 0.535 175.109 174.600 -0.044 0.000 1.192 1066 S CA -0.208 57.962 58.200 -0.051 0.000 0.937 1066 S CB 0.374 63.554 63.200 -0.032 0.000 1.336 1066 S HN 0.813 nan 8.310 nan 0.000 0.664 1067 G N 0.461 109.250 108.800 -0.019 0.000 2.535 1067 G HA2 0.586 4.546 3.960 -0.000 0.000 0.282 1067 G HA3 0.586 4.546 3.960 -0.000 0.000 0.282 1067 G C -2.889 172.022 174.900 0.018 0.000 1.350 1067 G CA -1.708 43.391 45.100 -0.002 0.000 1.039 1067 G HN 0.573 nan 8.290 nan 0.000 0.509 1068 P HA 0.142 nan 4.420 nan 0.000 0.263 1068 P C 0.055 177.408 177.300 0.089 0.000 1.175 1068 P CA 0.115 63.265 63.100 0.083 0.000 0.761 1068 P CB 0.696 32.466 31.700 0.116 0.000 0.794 1069 V N 1.329 121.303 119.914 0.100 0.000 3.126 1069 V HA 0.573 4.693 4.120 -0.000 0.000 0.314 1069 V C -0.286 175.873 176.094 0.108 0.000 1.138 1069 V CA -1.149 61.194 62.300 0.073 0.000 1.034 1069 V CB 2.034 33.885 31.823 0.046 0.000 1.075 1069 V HN 0.208 nan 8.190 nan 0.000 0.442 1070 I N 2.717 123.311 120.570 0.040 0.000 2.304 1070 I HA 0.369 4.539 4.170 -0.000 0.000 0.291 1070 I C -0.188 175.908 176.117 -0.034 0.000 1.018 1070 I CA -0.239 61.075 61.300 0.024 0.000 1.260 1070 I CB 0.760 38.725 38.000 -0.059 0.000 1.390 1070 I HN 0.629 nan 8.210 nan 0.000 0.475 1071 N N 6.980 125.662 118.700 -0.030 0.000 2.434 1071 N HA 0.257 4.997 4.740 -0.000 0.000 0.272 1071 N C -0.629 174.719 175.510 -0.270 0.000 1.040 1071 N CA -0.325 52.656 53.050 -0.115 0.000 0.956 1071 N CB 1.539 40.035 38.487 0.015 0.000 1.108 1071 N HN 0.576 nan 8.380 nan 0.000 0.481 1072 E N 1.606 121.563 120.200 -0.405 0.000 2.166 1072 E HA 0.456 4.806 4.350 -0.000 0.000 0.275 1072 E C -0.952 175.376 176.600 -0.452 0.000 0.941 1072 E CA -0.355 55.866 56.400 -0.298 0.000 0.784 1072 E CB 1.305 30.881 29.700 -0.207 0.000 1.115 1072 E HN 0.336 nan 8.360 nan 0.000 0.399 1073 F N 0.924 120.882 119.950 0.013 0.000 2.613 1073 F HA 0.351 4.878 4.527 0.000 0.000 0.314 1073 F C -0.152 175.661 175.800 0.022 0.000 1.075 1073 F CA -0.808 57.204 58.000 0.020 0.000 0.945 1073 F CB 2.204 41.208 39.000 0.007 0.000 1.310 1073 F HN 0.353 nan 8.300 nan 0.000 0.467 1074 E N 2.570 122.922 120.200 0.254 0.000 2.314 1074 E HA 0.743 5.093 4.350 -0.000 0.000 0.272 1074 E C -1.694 174.999 176.600 0.156 0.000 0.884 1074 E CA -0.610 55.890 56.400 0.168 0.000 0.753 1074 E CB 2.008 31.773 29.700 0.109 0.000 1.213 1074 E HN 0.687 nan 8.360 nan 0.000 0.432 1075 M N 2.362 122.043 119.600 0.134 0.000 2.520 1075 M HA 0.489 4.969 4.480 -0.000 0.000 0.283 1075 M C -1.009 175.376 176.300 0.143 0.000 1.237 1075 M CA -0.730 54.655 55.300 0.141 0.000 0.885 1075 M CB 2.768 35.451 32.600 0.139 0.000 1.727 1075 M HN 0.442 nan 8.290 nan 0.000 0.468 1076 R N 0.580 121.158 120.500 0.129 0.000 2.832 1076 R HA 0.724 5.064 4.340 -0.000 0.000 0.271 1076 R C -1.258 175.072 176.300 0.051 0.000 0.996 1076 R CA -0.899 55.255 56.100 0.089 0.000 0.977 1076 R CB 1.705 32.038 30.300 0.054 0.000 1.168 1076 R HN 0.434 nan 8.270 nan 0.000 0.482 1077 I N 2.585 123.128 120.570 -0.046 0.000 2.352 1077 I HA 0.141 4.311 4.170 -0.000 0.000 0.290 1077 I C -0.364 175.633 176.117 -0.200 0.000 1.036 1077 I CA 0.163 61.314 61.300 -0.247 0.000 1.336 1077 I CB 0.717 38.380 38.000 -0.562 0.000 1.407 1077 I HN 0.292 nan 8.210 nan 0.000 0.497 1078 I N 6.640 127.103 120.570 -0.178 0.000 2.378 1078 I HA 0.327 4.497 4.170 -0.000 0.000 0.291 1078 I C 0.214 176.243 176.117 -0.146 0.000 0.992 1078 I CA -0.622 60.612 61.300 -0.109 0.000 1.154 1078 I CB 1.170 39.139 38.000 -0.051 0.000 1.315 1078 I HN 0.558 nan 8.210 nan 0.000 0.448 1079 E N 6.899 127.030 120.200 -0.116 0.000 2.174 1079 E HA 0.557 4.907 4.350 -0.000 0.000 0.282 1079 E C -0.679 175.892 176.600 -0.047 0.000 0.992 1079 E CA -0.601 55.741 56.400 -0.096 0.000 0.803 1079 E CB 1.686 31.360 29.700 -0.044 0.000 1.090 1079 E HN 0.543 nan 8.360 nan 0.000 0.396 1080 K N 1.209 121.585 120.400 -0.040 0.000 2.660 1080 K HA 0.267 4.587 4.320 -0.000 0.000 0.285 1080 K C -1.137 175.459 176.600 -0.007 0.000 0.997 1080 K CA -0.980 55.300 56.287 -0.013 0.000 0.861 1080 K CB 1.168 33.660 32.500 -0.013 0.000 1.469 1080 K HN 0.297 nan 8.250 nan 0.000 0.395 1081 E N 1.662 121.873 120.200 0.018 0.000 2.338 1081 E HA 0.263 4.613 4.350 -0.000 0.000 0.272 1081 E C -0.542 176.089 176.600 0.051 0.000 1.029 1081 E CA -0.757 55.670 56.400 0.045 0.000 0.872 1081 E CB 1.075 30.806 29.700 0.052 0.000 1.015 1081 E HN 0.467 nan 8.360 nan 0.000 0.417 1082 V N 1.315 121.249 119.914 0.034 0.000 2.960 1082 V HA 0.422 4.542 4.120 -0.000 0.000 0.315 1082 V C -0.686 175.386 176.094 -0.037 0.000 1.087 1082 V CA -1.101 61.191 62.300 -0.013 0.000 0.982 1082 V CB 1.661 33.425 31.823 -0.097 0.000 1.039 1082 V HN 0.772 nan 8.190 nan 0.000 0.437 1083 Q N 1.476 121.198 119.800 -0.130 0.000 2.360 1083 Q HA 0.518 4.858 4.340 -0.000 0.000 0.254 1083 Q C 0.022 175.767 176.000 -0.425 0.000 0.975 1083 Q CA -0.420 55.122 55.803 -0.434 0.000 0.912 1083 Q CB 1.478 29.982 28.738 -0.390 0.000 1.212 1083 Q HN 0.903 nan 8.270 nan 0.000 0.452 1084 L N 2.361 123.267 121.223 -0.529 0.000 2.270 1084 L HA 0.175 4.515 4.340 -0.000 0.000 0.210 1084 L C 0.517 177.138 176.870 -0.414 0.000 1.104 1084 L CA 0.647 55.195 54.840 -0.487 0.000 0.804 1084 L CB 0.257 41.885 42.059 -0.718 0.000 0.937 1084 L HN 0.677 nan 8.230 nan 0.000 0.450 1085 D N -2.665 117.460 120.400 -0.457 0.000 2.665 1085 D HA 0.085 4.724 4.640 -0.000 0.000 0.287 1085 D C 0.335 176.462 176.300 -0.288 0.000 1.266 1085 D CA -0.383 53.450 54.000 -0.279 0.000 0.830 1085 D CB 1.267 41.973 40.800 -0.157 0.000 1.356 1085 D HN -0.321 nan 8.370 nan 0.000 0.437 1086 E N -0.044 120.064 120.200 -0.155 0.000 2.097 1086 E HA -0.116 4.234 4.350 -0.000 0.000 0.196 1086 E C 0.339 176.885 176.600 -0.090 0.000 1.000 1086 E CA 1.581 57.919 56.400 -0.103 0.000 0.804 1086 E CB -0.070 29.610 29.700 -0.033 0.000 0.740 1086 E HN 0.469 nan 8.360 nan 0.000 0.454 1087 D N -1.570 118.804 120.400 -0.044 0.000 2.788 1087 D HA 0.414 5.054 4.640 -0.000 0.000 0.289 1087 D C -0.679 175.654 176.300 0.055 0.000 1.340 1087 D CA -0.368 53.676 54.000 0.073 0.000 0.831 1087 D CB 0.047 40.940 40.800 0.154 0.000 1.103 1087 D HN 0.025 nan 8.370 nan 0.000 0.476 1088 A N 0.316 122.926 122.820 -0.349 0.000 2.427 1088 A HA 0.648 4.968 4.320 -0.000 0.000 0.298 1088 A C -1.756 175.420 177.584 -0.680 0.000 1.036 1088 A CA -0.738 51.046 52.037 -0.422 0.000 0.701 1088 A CB 1.413 19.944 19.000 -0.782 0.000 1.250 1088 A HN 0.104 nan 8.150 nan 0.000 0.412 1089 Y N 0.482 120.657 120.300 -0.208 0.000 2.602 1089 Y HA 0.751 5.301 4.550 -0.000 0.000 0.342 1089 Y C -0.352 175.461 175.900 -0.145 0.000 1.029 1089 Y CA -1.073 56.927 58.100 -0.167 0.000 1.080 1089 Y CB 2.242 40.660 38.460 -0.069 0.000 1.284 1089 Y HN 0.723 nan 8.280 nan 0.000 0.485 1090 L N 1.610 122.845 121.223 0.019 0.000 2.408 1090 L HA 0.528 4.868 4.340 -0.000 0.000 0.268 1090 L C -1.173 175.726 176.870 0.049 0.000 0.986 1090 L CA -0.763 54.075 54.840 -0.003 0.000 0.820 1090 L CB 2.011 43.954 42.059 -0.195 0.000 1.303 1090 L HN 0.488 nan 8.230 nan 0.000 0.411 1091 Q N 4.039 123.901 119.800 0.104 0.000 2.402 1091 Q HA 0.463 4.803 4.340 -0.000 0.000 0.238 1091 Q C -0.216 175.767 176.000 -0.029 0.000 1.126 1091 Q CA -0.002 55.846 55.803 0.075 0.000 0.904 1091 Q CB 1.049 29.873 28.738 0.143 0.000 1.357 1091 Q HN 0.785 nan 8.270 nan 0.000 0.491 1092 A N 3.563 126.344 122.820 -0.065 0.000 2.304 1092 A HA 0.694 5.014 4.320 -0.000 0.000 0.271 1092 A C -0.041 177.448 177.584 -0.159 0.000 1.091 1092 A CA -0.300 51.660 52.037 -0.128 0.000 0.812 1092 A CB 0.627 19.556 19.000 -0.118 0.000 1.056 1092 A HN 0.724 nan 8.150 nan 0.000 0.489 1093 M N 1.688 121.164 119.600 -0.206 0.000 2.204 1093 M HA 0.418 4.898 4.480 -0.000 0.000 0.293 1093 M C -0.444 175.690 176.300 -0.277 0.000 0.994 1093 M CA -0.240 54.906 55.300 -0.257 0.000 0.925 1093 M CB 2.358 34.799 32.600 -0.265 0.000 1.577 1093 M HN 0.855 nan 8.290 nan 0.000 0.439 1094 T N -0.918 113.456 114.554 -0.300 0.000 2.896 1094 T HA 0.690 5.040 4.350 -0.000 0.000 0.297 1094 T C -0.903 173.632 174.700 -0.275 0.000 1.108 1094 T CA -0.691 61.272 62.100 -0.227 0.000 1.004 1094 T CB 1.269 70.087 68.868 -0.083 0.000 1.159 1094 T HN 0.276 nan 8.240 nan 0.000 0.499 1095 F N 2.053 122.016 119.950 0.021 0.000 2.413 1095 F HA 0.386 4.913 4.527 -0.000 0.000 0.359 1095 F C 0.962 176.794 175.800 0.054 0.000 1.122 1095 F CA 0.022 58.050 58.000 0.046 0.000 1.160 1095 F CB 0.103 39.196 39.000 0.155 0.000 1.146 1095 F HN 0.807 nan 8.300 nan 0.000 0.514 1096 D N 2.387 122.902 120.400 0.193 0.000 3.090 1096 D HA -0.180 4.459 4.640 -0.000 0.000 0.215 1096 D C 1.292 177.651 176.300 0.099 0.000 1.140 1096 D CA 1.667 55.753 54.000 0.143 0.000 0.937 1096 D CB -1.180 39.729 40.800 0.182 0.000 1.108 1096 D HN 0.975 nan 8.370 nan 0.000 0.420 1097 G N -1.507 107.330 108.800 0.061 0.000 2.175 1097 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.244 1097 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.244 1097 G C 0.211 175.137 174.900 0.044 0.000 0.982 1097 G CA 0.887 46.008 45.100 0.036 0.000 0.641 1097 G HN 1.360 nan 8.290 nan 0.000 0.527 1098 S N -0.751 114.995 115.700 0.076 0.000 2.599 1098 S HA 0.843 5.313 4.470 -0.000 0.000 0.294 1098 S C -0.583 174.060 174.600 0.071 0.000 1.094 1098 S CA -1.001 57.240 58.200 0.068 0.000 0.931 1098 S CB 2.736 65.996 63.200 0.101 0.000 1.093 1098 S HN 0.614 nan 8.310 nan 0.000 0.488 1099 I N 2.732 123.323 120.570 0.035 0.000 2.389 1099 I HA 0.416 4.586 4.170 -0.000 0.000 0.288 1099 I C -2.238 173.880 176.117 0.002 0.000 0.999 1099 I CA -2.526 58.798 61.300 0.039 0.000 1.129 1099 I CB 2.441 40.452 38.000 0.018 0.000 1.288 1099 I HN 0.504 nan 8.210 nan 0.000 0.444 1100 P HA 0.112 nan 4.420 nan 0.000 0.277 1100 P C 0.130 177.521 177.300 0.151 0.000 1.276 1100 P CA -0.196 62.933 63.100 0.048 0.000 0.788 1100 P CB 0.494 32.185 31.700 -0.014 0.000 1.114 1101 G N 0.205 109.151 108.800 0.244 0.000 2.614 1101 G HA2 0.277 4.237 3.960 -0.000 0.000 0.239 1101 G HA3 0.277 4.237 3.960 -0.000 0.000 0.239 1101 G C -2.257 172.835 174.900 0.320 0.000 1.240 1101 G CA -0.869 44.439 45.100 0.346 0.000 0.842 1101 G HN 0.409 nan 8.290 nan 0.000 0.584 1102 P HA 0.091 nan 4.420 nan 0.000 0.272 1102 P C -0.199 177.236 177.300 0.225 0.000 1.223 1102 P CA -0.604 62.665 63.100 0.283 0.000 0.784 1102 P CB 1.099 32.941 31.700 0.236 0.000 0.923 1103 L N 3.209 124.532 121.223 0.166 0.000 2.455 1103 L HA 0.180 4.520 4.340 -0.000 0.000 0.272 1103 L C 0.190 177.061 176.870 0.000 0.000 1.174 1103 L CA 0.621 55.410 54.840 -0.085 0.000 0.869 1103 L CB -0.438 41.536 42.059 -0.141 0.000 1.130 1103 L HN 0.328 nan 8.230 nan 0.000 0.474 1104 M N 6.227 125.769 119.600 -0.096 0.000 2.404 1104 M HA 0.494 4.974 4.480 -0.000 0.000 0.338 1104 M C -0.866 175.411 176.300 -0.038 0.000 1.150 1104 M CA -0.285 54.922 55.300 -0.155 0.000 1.016 1104 M CB 1.692 33.888 32.600 -0.675 0.000 1.672 1104 M HN 0.428 nan 8.290 nan 0.000 0.448 1105 I N 3.321 124.030 120.570 0.231 0.000 2.498 1105 I HA 0.672 4.842 4.170 -0.000 0.000 0.290 1105 I C -0.466 175.689 176.117 0.064 0.000 1.032 1105 I CA -0.898 60.372 61.300 -0.050 0.000 1.073 1105 I CB 1.837 39.583 38.000 -0.423 0.000 1.251 1105 I HN 0.548 nan 8.210 nan 0.000 0.426 1106 V N 1.964 121.858 119.914 -0.034 0.000 3.103 1106 V HA 0.642 4.761 4.120 -0.000 0.000 0.311 1106 V C -1.411 174.565 176.094 -0.198 0.000 1.322 1106 V CA -0.722 61.581 62.300 0.005 0.000 1.063 1106 V CB 2.228 34.095 31.823 0.074 0.000 1.090 1106 V HN 0.700 nan 8.190 nan 0.000 0.462 1107 H N -0.604 118.512 119.070 0.075 0.000 2.679 1107 H HA 0.596 5.152 4.556 -0.000 0.000 0.367 1107 H C -0.485 174.868 175.328 0.042 0.000 1.162 1107 H CA -0.308 55.779 56.048 0.065 0.000 1.181 1107 H CB 1.583 31.380 29.762 0.058 0.000 1.693 1107 H HN 0.945 nan 8.280 nan 0.000 0.538 1108 E N 0.729 121.026 120.200 0.162 0.000 2.558 1108 E HA 0.147 4.497 4.350 -0.000 0.000 0.255 1108 E C 0.601 177.242 176.600 0.069 0.000 0.968 1108 E CA 1.202 57.671 56.400 0.115 0.000 0.939 1108 E CB -0.010 29.797 29.700 0.178 0.000 0.921 1108 E HN 0.924 nan 8.360 nan 0.000 0.477 1109 G N 4.028 112.812 108.800 -0.027 0.000 2.254 1109 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.225 1109 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.225 1109 G C 0.041 174.857 174.900 -0.140 0.000 1.003 1109 G CA 0.092 45.150 45.100 -0.069 0.000 0.622 1109 G HN 0.627 nan 8.290 nan 0.000 0.507 1110 D N -0.210 120.136 120.400 -0.090 0.000 2.384 1110 D HA 0.560 5.199 4.640 -0.000 0.000 0.244 1110 D C 0.112 176.214 176.300 -0.330 0.000 1.251 1110 D CA 0.286 54.239 54.000 -0.078 0.000 0.961 1110 D CB 0.271 41.088 40.800 0.028 0.000 1.116 1110 D HN 0.245 nan 8.370 nan 0.000 0.484 1111 Y N -0.980 119.242 120.300 -0.129 0.000 2.487 1111 Y HA 0.466 5.016 4.550 -0.000 0.000 0.337 1111 Y C 0.053 175.754 175.900 -0.332 0.000 1.076 1111 Y CA -0.861 57.100 58.100 -0.232 0.000 1.115 1111 Y CB 1.650 40.017 38.460 -0.156 0.000 1.235 1111 Y HN -0.090 nan 8.280 nan 0.000 0.468 1112 V N 2.295 121.915 119.914 -0.490 0.000 2.448 1112 V HA 0.365 4.485 4.120 -0.000 0.000 0.295 1112 V C -0.765 175.113 176.094 -0.360 0.000 1.025 1112 V CA -0.934 61.036 62.300 -0.550 0.000 0.859 1112 V CB 1.625 32.621 31.823 -1.379 0.000 0.988 1112 V HN 0.741 nan 8.190 nan 0.000 0.431 1113 E N 3.626 123.770 120.200 -0.092 0.000 2.185 1113 E HA 0.588 4.938 4.350 -0.000 0.000 0.261 1113 E C -1.628 175.014 176.600 0.070 0.000 0.879 1113 E CA -0.679 55.704 56.400 -0.028 0.000 0.756 1113 E CB 1.961 31.640 29.700 -0.036 0.000 1.152 1113 E HN 0.565 nan 8.360 nan 0.000 0.416 1114 L N 3.188 124.480 121.223 0.115 0.000 2.334 1114 L HA 0.554 4.894 4.340 -0.000 0.000 0.276 1114 L C -0.900 176.059 176.870 0.150 0.000 1.014 1114 L CA -0.089 54.870 54.840 0.197 0.000 0.815 1114 L CB 2.162 44.387 42.059 0.277 0.000 1.268 1114 L HN 0.369 nan 8.230 nan 0.000 0.428 1115 T N 5.778 120.414 114.554 0.136 0.000 2.749 1115 T HA 0.535 4.885 4.350 -0.000 0.000 0.287 1115 T C -0.827 173.945 174.700 0.120 0.000 0.970 1115 T CA -0.077 62.087 62.100 0.107 0.000 0.980 1115 T CB 0.780 69.695 68.868 0.079 0.000 0.924 1115 T HN 0.491 nan 8.240 nan 0.000 0.456 1116 L N 5.487 126.782 121.223 0.120 0.000 2.305 1116 L HA 0.642 4.982 4.340 -0.000 0.000 0.284 1116 L C -1.041 175.897 176.870 0.114 0.000 1.013 1116 L CA -0.521 54.397 54.840 0.130 0.000 0.819 1116 L CB 0.726 42.875 42.059 0.150 0.000 1.227 1116 L HN 0.610 nan 8.230 nan 0.000 0.417 1117 I N 4.425 125.058 120.570 0.105 0.000 2.412 1117 I HA 0.391 4.561 4.170 -0.000 0.000 0.296 1117 I C -0.372 175.794 176.117 0.081 0.000 0.987 1117 I CA -0.625 60.726 61.300 0.085 0.000 1.180 1117 I CB 1.723 39.766 38.000 0.071 0.000 1.340 1117 I HN 0.562 nan 8.210 nan 0.000 0.455 1118 N N 7.736 126.487 118.700 0.084 0.000 2.564 1118 N HA 0.417 5.157 4.740 -0.000 0.000 0.248 1118 N C -2.763 172.791 175.510 0.074 0.000 0.986 1118 N CA -2.189 50.920 53.050 0.098 0.000 0.921 1118 N CB 1.298 39.876 38.487 0.151 0.000 1.136 1118 N HN 0.116 nan 8.380 nan 0.000 0.509 1119 P HA 0.147 nan 4.420 nan 0.000 0.269 1119 P C -1.833 175.496 177.300 0.049 0.000 1.215 1119 P CA -0.978 62.148 63.100 0.043 0.000 0.780 1119 P CB 0.481 32.199 31.700 0.029 0.000 0.898 1120 P HA -0.184 nan 4.420 nan 0.000 0.220 1120 P C 0.967 178.290 177.300 0.039 0.000 1.148 1120 P CA 1.529 64.653 63.100 0.040 0.000 0.803 1120 P CB -0.042 31.677 31.700 0.032 0.000 0.782 1121 E N -0.773 119.448 120.200 0.035 0.000 2.427 1121 E HA -0.034 4.316 4.350 -0.000 0.000 0.196 1121 E C 0.325 176.951 176.600 0.042 0.000 1.028 1121 E CA 0.155 56.576 56.400 0.034 0.000 0.864 1121 E CB -0.729 28.987 29.700 0.026 0.000 0.813 1121 E HN 0.190 nan 8.360 nan 0.000 0.514 1122 N N 1.778 120.511 118.700 0.056 0.000 2.371 1122 N HA 0.002 4.742 4.740 -0.000 0.000 0.243 1122 N C 0.949 176.513 175.510 0.089 0.000 1.287 1122 N CA 1.014 54.114 53.050 0.083 0.000 0.911 1122 N CB 1.052 39.618 38.487 0.131 0.000 1.142 1122 N HN 0.234 nan 8.380 nan 0.000 0.451 1123 T N -3.486 111.131 114.554 0.105 0.000 3.001 1123 T HA 0.299 4.649 4.350 -0.000 0.000 0.251 1123 T C 0.704 175.450 174.700 0.076 0.000 1.040 1123 T CA 0.127 62.276 62.100 0.082 0.000 0.985 1123 T CB 0.343 69.258 68.868 0.079 0.000 1.011 1123 T HN 0.244 nan 8.240 nan 0.000 0.509 1124 M N 1.017 120.672 119.600 0.092 0.000 2.716 1124 M HA 0.572 5.052 4.480 -0.000 0.000 0.307 1124 M C -3.104 173.080 176.300 -0.193 0.000 1.223 1124 M CA -2.489 52.792 55.300 -0.031 0.000 0.871 1124 M CB 1.461 33.996 32.600 -0.108 0.000 1.739 1124 M HN -0.272 nan 8.290 nan 0.000 0.475 1125 P HA 0.334 nan 4.420 nan 0.000 0.277 1125 P C -0.984 175.987 177.300 -0.548 0.000 1.240 1125 P CA 0.080 63.054 63.100 -0.209 0.000 0.798 1125 P CB 0.663 32.285 31.700 -0.130 0.000 0.979 1126 H N 0.856 119.937 119.070 0.017 0.000 2.941 1126 H HA 0.476 5.032 4.556 -0.000 0.000 0.344 1126 H C -0.008 175.323 175.328 0.006 0.000 1.235 1126 H CA -0.314 55.729 56.048 -0.009 0.000 1.149 1126 H CB 2.227 31.980 29.762 -0.015 0.000 1.885 1126 H HN 0.526 nan 8.280 nan 0.000 0.558 1127 N N 0.324 119.105 118.700 0.135 0.000 3.588 1127 N HA 0.362 5.102 4.740 -0.000 0.000 0.340 1127 N C -1.383 174.228 175.510 0.168 0.000 1.609 1127 N CA -0.594 52.528 53.050 0.119 0.000 0.811 1127 N CB 1.941 40.457 38.487 0.048 0.000 2.184 1127 N HN 0.638 nan 8.380 nan 0.000 0.577 1128 I N -0.751 119.869 120.570 0.083 0.000 2.753 1128 I HA 0.350 4.520 4.170 -0.000 0.000 0.291 1128 I C -2.164 173.872 176.117 -0.134 0.000 1.425 1128 I CA -0.420 60.874 61.300 -0.009 0.000 1.039 1128 I CB 2.015 39.916 38.000 -0.164 0.000 1.349 1128 I HN 0.612 nan 8.210 nan 0.000 0.430 1129 D N 6.723 126.946 120.400 -0.297 0.000 2.593 1129 D HA 0.371 5.011 4.640 -0.000 0.000 0.251 1129 D C -1.751 174.351 176.300 -0.329 0.000 1.140 1129 D CA -0.080 53.774 54.000 -0.242 0.000 0.855 1129 D CB 1.320 41.884 40.800 -0.393 0.000 1.267 1129 D HN 0.255 nan 8.370 nan 0.000 0.532 1130 F N 2.810 122.626 119.950 -0.224 0.000 2.391 1130 F HA 0.278 4.805 4.527 -0.000 0.000 0.359 1130 F C 1.847 177.549 175.800 -0.164 0.000 1.122 1130 F CA -0.492 57.356 58.000 -0.254 0.000 1.120 1130 F CB 1.303 39.919 39.000 -0.640 0.000 1.142 1130 F HN 0.516 nan 8.300 nan 0.000 0.483 1131 H N 1.990 121.078 119.070 0.030 0.000 2.524 1131 H HA -0.046 4.510 4.556 -0.000 0.000 0.282 1131 H C 1.874 177.133 175.328 -0.115 0.000 1.016 1131 H CA 0.593 56.679 56.048 0.063 0.000 1.270 1131 H CB 0.536 30.457 29.762 0.265 0.000 1.394 1131 H HN 0.760 nan 8.280 nan 0.000 0.568 1132 A N 1.155 123.769 122.820 -0.344 0.000 2.066 1132 A HA 0.190 4.510 4.320 -0.000 0.000 0.218 1132 A C 1.442 178.594 177.584 -0.720 0.000 1.157 1132 A CA 0.594 51.876 52.037 -1.258 0.000 0.670 1132 A CB -0.116 18.408 19.000 -0.793 0.000 0.804 1132 A HN 0.312 nan 8.150 nan 0.000 0.453 1133 A N -0.709 121.682 122.820 -0.714 0.000 2.286 1133 A HA 0.577 4.897 4.320 -0.000 0.000 0.286 1133 A C 0.093 177.498 177.584 -0.297 0.000 1.097 1133 A CA -0.073 51.559 52.037 -0.674 0.000 0.821 1133 A CB 0.254 18.580 19.000 -1.125 0.000 1.076 1133 A HN 0.174 nan 8.150 nan 0.000 0.490 1134 T N 0.688 115.141 114.554 -0.169 0.000 2.770 1134 T HA 0.675 5.025 4.350 -0.000 0.000 0.283 1134 T C 0.144 174.813 174.700 -0.052 0.000 0.988 1134 T CA 0.649 62.700 62.100 -0.082 0.000 0.957 1134 T CB 0.970 69.814 68.868 -0.041 0.000 0.930 1134 T HN 2.111 nan 8.240 nan 0.000 0.443 1135 G N 1.788 110.564 108.800 -0.040 0.000 2.539 1135 G HA2 0.425 4.385 3.960 -0.000 0.000 0.686 1135 G HA3 0.425 4.385 3.960 -0.000 0.000 0.686 1135 G C 0.148 175.039 174.900 -0.015 0.000 1.258 1135 G CA -0.328 44.763 45.100 -0.016 0.000 0.846 1135 G HN 1.665 nan 8.290 nan 0.000 0.647 1136 A N -0.305 122.515 122.820 0.000 0.000 2.550 1136 A HA 0.093 4.413 4.320 -0.000 0.000 0.298 1136 A C 1.465 179.050 177.584 0.002 0.000 1.485 1136 A CA 1.803 53.844 52.037 0.007 0.000 0.780 1136 A CB -1.801 17.209 19.000 0.017 0.000 1.045 1136 A HN 2.522 nan 8.150 nan 0.000 0.423 1137 L N -3.722 117.499 121.223 -0.003 0.000 3.634 1137 L HA -0.263 4.077 4.340 -0.000 0.000 0.423 1137 L C 1.583 178.445 176.870 -0.013 0.000 1.253 1137 L CA 0.674 55.513 54.840 -0.002 0.000 0.885 1137 L CB -2.030 40.035 42.059 0.010 0.000 1.789 1137 L HN 2.292 nan 8.230 nan 0.000 0.904 1138 G N -1.483 107.297 108.800 -0.033 0.000 2.175 1138 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.265 1138 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.265 1138 G C 1.169 176.050 174.900 -0.032 0.000 0.979 1138 G CA 0.886 45.952 45.100 -0.056 0.000 0.663 1138 G HN 1.889 nan 8.290 nan 0.000 0.533 1139 G N -2.042 106.760 108.800 0.004 0.000 2.255 1139 G HA2 0.156 4.116 3.960 -0.000 0.000 0.196 1139 G HA3 0.156 4.116 3.960 -0.000 0.000 0.196 1139 G C 1.765 176.697 174.900 0.054 0.000 0.998 1139 G CA 1.053 46.192 45.100 0.064 0.000 0.656 1139 G HN 1.771 nan 8.290 nan 0.000 0.490 1140 G N 0.771 109.581 108.800 0.016 0.000 2.443 1140 G HA2 0.278 4.238 3.960 -0.000 0.000 0.219 1140 G HA3 0.278 4.238 3.960 -0.000 0.000 0.219 1140 G C 1.541 176.454 174.900 0.021 0.000 1.131 1140 G CA 1.592 46.698 45.100 0.010 0.000 0.775 1140 G HN 1.429 nan 8.290 nan 0.000 0.547 1141 G N -0.103 108.710 108.800 0.022 0.000 2.985 1141 G HA2 0.259 4.219 3.960 -0.000 0.000 0.209 1141 G HA3 0.259 4.219 3.960 -0.000 0.000 0.209 1141 G C 1.198 176.116 174.900 0.030 0.000 1.165 1141 G CA -0.083 45.030 45.100 0.022 0.000 0.776 1141 G HN 0.415 nan 8.290 nan 0.000 0.541 1142 L N 0.496 121.745 121.223 0.043 0.000 2.858 1142 L HA 0.199 4.539 4.340 -0.000 0.000 0.251 1142 L C 1.654 178.560 176.870 0.060 0.000 1.149 1142 L CA 0.610 55.480 54.840 0.049 0.000 0.955 1142 L CB 0.686 42.780 42.059 0.058 0.000 1.289 1142 L HN 0.215 nan 8.230 nan 0.000 0.542 1143 T N -2.977 111.616 114.554 0.064 0.000 3.200 1143 T HA 0.242 4.591 4.350 -0.000 0.000 0.284 1143 T C 0.053 174.794 174.700 0.069 0.000 1.009 1143 T CA -0.274 61.873 62.100 0.080 0.000 0.907 1143 T CB 0.133 69.065 68.868 0.107 0.000 1.120 1143 T HN -0.051 nan 8.240 nan 0.000 0.534 1144 L N 3.553 124.803 121.223 0.044 0.000 2.418 1144 L HA 0.523 4.863 4.340 -0.000 0.000 0.274 1144 L C -0.349 176.544 176.870 0.038 0.000 1.135 1144 L CA -0.324 54.534 54.840 0.030 0.000 0.870 1144 L CB 0.026 42.090 42.059 0.009 0.000 1.154 1144 L HN 0.415 nan 8.230 nan 0.000 0.462 1145 I N 1.953 122.552 120.570 0.049 0.000 2.582 1145 I HA 0.538 4.708 4.170 -0.000 0.000 0.292 1145 I C -0.558 175.588 176.117 0.049 0.000 1.066 1145 I CA -1.002 60.332 61.300 0.056 0.000 1.053 1145 I CB 1.722 39.770 38.000 0.081 0.000 1.241 1145 I HN 0.388 nan 8.210 nan 0.000 0.421 1146 N N 4.633 123.357 118.700 0.039 0.000 2.445 1146 N HA 0.413 5.153 4.740 -0.000 0.000 0.264 1146 N C -2.524 173.022 175.510 0.060 0.000 1.227 1146 N CA -1.504 51.567 53.050 0.035 0.000 0.963 1146 N CB 0.552 39.053 38.487 0.024 0.000 1.188 1146 N HN 0.376 nan 8.380 nan 0.000 0.491 1147 P HA 0.015 nan 4.420 nan 0.000 0.265 1147 P C 0.702 178.035 177.300 0.056 0.000 1.187 1147 P CA 1.065 64.210 63.100 0.075 0.000 0.766 1147 P CB 0.329 32.069 31.700 0.066 0.000 0.820 1148 G N 1.285 110.117 108.800 0.053 0.000 2.195 1148 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.246 1148 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.246 1148 G C -0.026 174.900 174.900 0.043 0.000 0.984 1148 G CA -0.163 44.962 45.100 0.042 0.000 0.633 1148 G HN 0.552 nan 8.290 nan 0.000 0.525 1149 E N -0.266 119.965 120.200 0.052 0.000 2.378 1149 E HA 0.667 5.017 4.350 -0.000 0.000 0.265 1149 E C -0.158 176.477 176.600 0.059 0.000 0.932 1149 E CA -0.952 55.478 56.400 0.050 0.000 0.795 1149 E CB 1.626 31.355 29.700 0.049 0.000 1.296 1149 E HN 0.436 nan 8.360 nan 0.000 0.438 1150 K N -0.666 119.767 120.400 0.055 0.000 2.433 1150 K HA 0.830 5.150 4.320 -0.000 0.000 0.252 1150 K C -1.342 175.296 176.600 0.062 0.000 1.015 1150 K CA -0.898 55.427 56.287 0.063 0.000 0.860 1150 K CB 2.339 34.873 32.500 0.057 0.000 1.359 1150 K HN 0.270 nan 8.250 nan 0.000 0.452 1151 V N 0.353 120.310 119.914 0.072 0.000 3.120 1151 V HA 0.487 4.607 4.120 -0.000 0.000 0.303 1151 V C -1.912 174.229 176.094 0.078 0.000 1.238 1151 V CA -0.698 61.644 62.300 0.070 0.000 1.008 1151 V CB 2.441 34.310 31.823 0.077 0.000 1.064 1151 V HN 0.625 nan 8.190 nan 0.000 0.434 1152 V N 5.711 125.667 119.914 0.070 0.000 2.487 1152 V HA 0.617 4.737 4.120 -0.000 0.000 0.298 1152 V C -0.658 175.486 176.094 0.083 0.000 1.028 1152 V CA -0.559 61.785 62.300 0.073 0.000 0.860 1152 V CB 1.527 33.380 31.823 0.049 0.000 0.991 1152 V HN 0.781 nan 8.190 nan 0.000 0.427 1153 L N 5.453 126.743 121.223 0.112 0.000 2.346 1153 L HA 0.751 5.091 4.340 -0.000 0.000 0.274 1153 L C -0.388 176.548 176.870 0.109 0.000 1.007 1153 L CA -0.239 54.680 54.840 0.131 0.000 0.818 1153 L CB 1.682 43.861 42.059 0.200 0.000 1.284 1153 L HN 0.733 nan 8.230 nan 0.000 0.424 1154 R N 3.938 124.499 120.500 0.102 0.000 2.670 1154 R HA 0.745 5.084 4.340 -0.000 0.000 0.289 1154 R C -1.854 174.534 176.300 0.147 0.000 0.965 1154 R CA -0.528 55.607 56.100 0.058 0.000 0.899 1154 R CB 1.420 31.744 30.300 0.039 0.000 1.173 1154 R HN 0.672 nan 8.270 nan 0.000 0.456 1155 F N 0.041 119.964 119.950 -0.045 0.000 2.645 1155 F HA 0.496 5.023 4.527 0.000 0.000 0.310 1155 F C -1.441 174.304 175.800 -0.091 0.000 1.102 1155 F CA -1.254 56.706 58.000 -0.067 0.000 0.952 1155 F CB 1.303 40.194 39.000 -0.182 0.000 1.326 1155 F HN 0.338 nan 8.300 nan 0.000 0.456 1156 K N 1.762 122.183 120.400 0.035 0.000 2.201 1156 K HA 0.741 5.061 4.320 -0.000 0.000 0.278 1156 K C -0.569 175.951 176.600 -0.134 0.000 1.027 1156 K CA -0.693 55.375 56.287 -0.365 0.000 0.909 1156 K CB 1.469 33.696 32.500 -0.456 0.000 1.062 1156 K HN 0.951 nan 8.250 nan 0.000 0.465 1157 A N 3.797 126.453 122.820 -0.273 0.000 2.922 1157 A HA 0.101 4.421 4.320 -0.000 0.000 0.298 1157 A C 0.919 178.454 177.584 -0.083 0.000 1.588 1157 A CA -0.411 51.575 52.037 -0.085 0.000 1.288 1157 A CB -0.599 18.332 19.000 -0.115 0.000 1.130 1157 A HN 0.927 nan 8.150 nan 0.000 0.557 1158 T N -0.887 113.630 114.554 -0.062 0.000 3.055 1158 T HA 0.078 4.428 4.350 -0.000 0.000 0.265 1158 T C 0.842 175.573 174.700 0.051 0.000 1.111 1158 T CA 0.689 62.773 62.100 -0.027 0.000 1.118 1158 T CB 0.003 68.858 68.868 -0.022 0.000 0.909 1158 T HN 0.542 nan 8.240 nan 0.000 0.501 1159 R N 0.837 121.375 120.500 0.063 0.000 2.534 1159 R HA 0.696 5.036 4.340 -0.000 0.000 0.301 1159 R C -0.902 175.600 176.300 0.338 0.000 0.961 1159 R CA -0.661 55.567 56.100 0.214 0.000 0.871 1159 R CB 1.804 32.240 30.300 0.226 0.000 1.170 1159 R HN 0.275 nan 8.270 nan 0.000 0.446 1160 A N 1.942 124.941 122.820 0.298 0.000 2.362 1160 A HA 0.699 5.019 4.320 -0.000 0.000 0.276 1160 A C 0.171 177.774 177.584 0.032 0.000 1.153 1160 A CA 0.275 52.432 52.037 0.200 0.000 0.813 1160 A CB 0.589 19.561 19.000 -0.046 0.000 1.081 1160 A HN 0.856 nan 8.150 nan 0.000 0.507 1161 G N -0.219 108.577 108.800 -0.007 0.000 2.321 1161 G HA2 0.628 4.588 3.960 -0.000 0.000 0.298 1161 G HA3 0.628 4.588 3.960 -0.000 0.000 0.298 1161 G C -0.663 173.868 174.900 -0.616 0.000 1.385 1161 G CA -0.096 44.443 45.100 -0.935 0.000 0.856 1161 G HN 1.701 nan 8.290 nan 0.000 0.584 1162 A N -0.495 121.808 122.820 -0.862 0.000 2.327 1162 A HA 0.889 5.209 4.320 -0.000 0.000 0.283 1162 A C -1.015 176.314 177.584 -0.425 0.000 1.127 1162 A CA -0.127 51.702 52.037 -0.347 0.000 0.810 1162 A CB 0.302 19.142 19.000 -0.267 0.000 1.066 1162 A HN 0.921 nan 8.150 nan 0.000 0.492 1163 F N 0.638 120.540 119.950 -0.080 0.000 2.599 1163 F HA 0.459 4.986 4.527 -0.000 0.000 0.311 1163 F C 0.206 175.964 175.800 -0.070 0.000 1.076 1163 F CA -0.690 57.303 58.000 -0.013 0.000 0.937 1163 F CB 2.095 41.133 39.000 0.064 0.000 1.282 1163 F HN 0.365 nan 8.300 nan 0.000 0.460 1164 V N 2.200 122.146 119.914 0.054 0.000 2.881 1164 V HA 0.158 4.278 4.120 -0.000 0.000 0.303 1164 V C -0.818 175.123 176.094 -0.254 0.000 1.070 1164 V CA -0.250 61.930 62.300 -0.200 0.000 1.074 1164 V CB 0.894 32.498 31.823 -0.365 0.000 1.012 1164 V HN 0.617 nan 8.190 nan 0.000 0.482 1165 Y N 2.094 122.232 120.300 -0.270 0.000 2.536 1165 Y HA 0.892 5.442 4.550 -0.000 0.000 0.347 1165 Y C -0.526 175.211 175.900 -0.273 0.000 1.000 1165 Y CA -1.699 56.104 58.100 -0.494 0.000 1.051 1165 Y CB 1.313 39.200 38.460 -0.955 0.000 1.259 1165 Y HN 0.868 nan 8.280 nan 0.000 0.468 1166 H N -0.670 118.390 119.070 -0.017 0.000 2.987 1166 H HA 0.479 5.035 4.556 -0.000 0.000 0.316 1166 H C -1.531 173.957 175.328 0.267 0.000 1.380 1166 H CA -1.454 54.709 56.048 0.192 0.000 1.160 1166 H CB 0.663 30.470 29.762 0.074 0.000 1.865 1166 H HN 1.109 nan 8.280 nan 0.000 0.521 1167 C N 1.607 121.211 119.300 0.507 0.000 2.652 1167 C HA 0.754 5.214 4.460 -0.000 0.000 0.412 1167 C C 0.765 175.923 174.990 0.280 0.000 1.294 1167 C CA 0.726 59.928 59.018 0.306 0.000 2.127 1167 C CB -1.001 26.854 27.740 0.192 0.000 2.691 1167 C HN 0.987 nan 8.230 nan 0.000 0.615 1168 A N 6.277 129.162 122.820 0.108 0.000 3.464 1168 A HA 0.455 4.775 4.320 -0.000 0.000 0.243 1168 A C -1.853 175.717 177.584 -0.024 0.000 1.100 1168 A CA -0.452 51.649 52.037 0.107 0.000 0.957 1168 A CB 0.089 19.180 19.000 0.152 0.000 1.340 1168 A HN 0.657 nan 8.150 nan 0.000 0.645 1169 P HA 0.134 nan 4.420 nan 0.000 0.229 1169 P C 0.794 178.039 177.300 -0.092 0.000 1.150 1169 P CA 1.995 64.986 63.100 -0.181 0.000 0.765 1169 P CB 0.129 31.596 31.700 -0.388 0.000 0.783 1170 G N -1.925 106.848 108.800 -0.045 0.000 3.438 1170 G HA2 0.422 4.382 3.960 -0.000 0.000 0.684 1170 G HA3 0.422 4.382 3.960 -0.000 0.000 0.684 1170 G C -0.013 174.891 174.900 0.005 0.000 1.192 1170 G CA -0.388 44.707 45.100 -0.008 0.000 1.013 1170 G HN 0.505 nan 8.290 nan 0.000 0.530 1171 G N 3.419 112.236 108.800 0.027 0.000 2.508 1171 G HA2 0.184 4.144 3.960 -0.000 0.000 0.220 1171 G HA3 0.184 4.144 3.960 -0.000 0.000 0.220 1171 G C -0.735 174.203 174.900 0.064 0.000 1.287 1171 G CA 0.577 45.699 45.100 0.037 0.000 0.916 1171 G HN 1.377 nan 8.290 nan 0.000 0.574 1172 P HA 0.016 nan 4.420 nan 0.000 0.231 1172 P C 1.553 178.947 177.300 0.157 0.000 1.158 1172 P CA 1.358 64.512 63.100 0.090 0.000 0.763 1172 P CB 0.005 31.746 31.700 0.069 0.000 0.805 1173 M N -1.390 118.318 119.600 0.180 0.000 2.501 1173 M HA 0.138 4.618 4.480 -0.000 0.000 0.261 1173 M C 2.004 178.545 176.300 0.403 0.000 1.129 1173 M CA -0.212 55.294 55.300 0.343 0.000 1.126 1173 M CB -1.168 31.608 32.600 0.293 0.000 1.359 1173 M HN -0.128 nan 8.290 nan 0.000 0.471 1174 I N 1.403 122.102 120.570 0.214 0.000 2.185 1174 I HA -0.296 3.874 4.170 -0.000 0.000 0.246 1174 I C -0.556 175.703 176.117 0.236 0.000 1.088 1174 I CA 1.775 63.188 61.300 0.189 0.000 1.347 1174 I CB -1.532 36.550 38.000 0.138 0.000 1.041 1174 I HN 0.188 nan 8.210 nan 0.000 0.415 1175 P HA -0.209 nan 4.420 nan 0.000 0.217 1175 P C 1.424 178.866 177.300 0.237 0.000 1.151 1175 P CA 1.423 64.620 63.100 0.161 0.000 0.828 1175 P CB -0.276 31.480 31.700 0.094 0.000 0.788 1176 W N 1.407 122.798 121.300 0.151 0.000 2.338 1176 W HA -0.177 4.483 4.660 0.000 0.000 0.304 1176 W C 2.475 179.079 176.519 0.143 0.000 1.212 1176 W CA 1.742 59.188 57.345 0.169 0.000 1.264 1176 W CB -1.204 28.456 29.460 0.332 0.000 1.142 1176 W HN 0.024 nan 8.180 nan 0.000 0.512 1177 H N -0.896 118.161 119.070 -0.023 0.000 2.353 1177 H HA -0.158 4.398 4.556 -0.000 0.000 0.300 1177 H C 2.234 177.497 175.328 -0.108 0.000 1.090 1177 H CA 2.205 58.124 56.048 -0.216 0.000 1.327 1177 H CB -0.591 29.151 29.762 -0.033 0.000 1.383 1177 H HN 0.064 nan 8.280 nan 0.000 0.508 1178 V N 1.320 121.308 119.914 0.122 0.000 2.343 1178 V HA -0.190 3.929 4.120 -0.000 0.000 0.247 1178 V C 2.657 178.776 176.094 0.041 0.000 1.051 1178 V CA 1.704 64.040 62.300 0.060 0.000 1.036 1178 V CB -0.484 31.333 31.823 -0.010 0.000 0.654 1178 V HN 0.381 nan 8.190 nan 0.000 0.451 1179 V N -3.238 116.714 119.914 0.063 0.000 3.623 1179 V HA 0.152 4.272 4.120 -0.000 0.000 0.271 1179 V C 1.598 177.803 176.094 0.186 0.000 1.248 1179 V CA 1.226 63.611 62.300 0.141 0.000 1.156 1179 V CB 0.010 32.014 31.823 0.302 0.000 0.870 1179 V HN 0.401 nan 8.190 nan 0.000 0.453 1180 S N 0.698 116.367 115.700 -0.052 0.000 2.556 1180 S HA 0.515 4.985 4.470 -0.000 0.000 0.216 1180 S C 1.553 176.108 174.600 -0.074 0.000 0.970 1180 S CA 0.732 58.838 58.200 -0.156 0.000 0.912 1180 S CB 0.544 63.442 63.200 -0.505 0.000 0.790 1180 S HN 1.210 nan 8.310 nan 0.000 0.504 1181 G N 1.435 110.254 108.800 0.033 0.000 2.205 1181 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.180 1181 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.180 1181 G C 0.136 175.055 174.900 0.032 0.000 1.004 1181 G CA -0.147 44.995 45.100 0.070 0.000 0.670 1181 G HN 0.470 nan 8.290 nan 0.000 0.496 1182 T N 0.618 115.161 114.554 -0.019 0.000 2.992 1182 T HA 0.745 5.094 4.350 -0.000 0.000 0.299 1182 T C 0.123 175.039 174.700 0.360 0.000 1.027 1182 T CA 0.560 62.647 62.100 -0.021 0.000 1.001 1182 T CB 1.355 69.982 68.868 -0.401 0.000 1.005 1182 T HN 1.708 nan 8.240 nan 0.000 0.599 1183 A N 1.925 124.998 122.820 0.421 0.000 2.594 1183 A HA 0.943 5.263 4.320 -0.000 0.000 0.296 1183 A C -0.058 177.515 177.584 -0.018 0.000 1.061 1183 A CA -0.493 51.679 52.037 0.226 0.000 0.689 1183 A CB 1.525 20.585 19.000 0.100 0.000 1.280 1183 A HN 0.957 nan 8.150 nan 0.000 0.406 1184 G N -1.093 107.282 108.800 -0.709 0.000 2.896 1184 G HA2 0.630 4.590 3.960 -0.000 0.000 0.247 1184 G HA3 0.630 4.590 3.960 -0.000 0.000 0.247 1184 G C -1.113 173.224 174.900 -0.938 0.000 1.187 1184 G CA 0.219 44.870 45.100 -0.749 0.000 0.837 1184 G HN 1.981 nan 8.290 nan 0.000 0.559 1185 C N -0.358 118.433 119.300 -0.848 0.000 2.880 1185 C HA 0.824 5.284 4.460 -0.000 0.000 0.320 1185 C C -1.138 173.737 174.990 -0.193 0.000 1.176 1185 C CA -0.686 58.019 59.018 -0.522 0.000 1.390 1185 C CB 0.394 27.665 27.740 -0.782 0.000 1.846 1185 C HN 0.873 nan 8.230 nan 0.000 0.478 1186 I N 5.892 126.494 120.570 0.053 0.000 2.545 1186 I HA 0.581 4.751 4.170 -0.000 0.000 0.292 1186 I C -0.788 175.392 176.117 0.106 0.000 1.040 1186 I CA -0.752 60.599 61.300 0.086 0.000 1.068 1186 I CB 1.693 39.862 38.000 0.282 0.000 1.251 1186 I HN 0.912 nan 8.210 nan 0.000 0.424 1187 M N 8.110 127.710 119.600 0.001 0.000 2.129 1187 M HA 0.462 4.942 4.480 -0.000 0.000 0.348 1187 M C -1.704 174.642 176.300 0.078 0.000 1.116 1187 M CA -0.587 54.741 55.300 0.045 0.000 1.022 1187 M CB 1.226 33.791 32.600 -0.058 0.000 1.599 1187 M HN 0.457 nan 8.290 nan 0.000 0.449 1188 V N 7.262 127.294 119.914 0.197 0.000 2.294 1188 V HA 0.318 4.438 4.120 -0.000 0.000 0.272 1188 V C 0.004 176.185 176.094 0.146 0.000 1.027 1188 V CA -0.572 61.811 62.300 0.138 0.000 0.823 1188 V CB 0.683 32.639 31.823 0.222 0.000 1.030 1188 V HN 0.829 nan 8.190 nan 0.000 0.457 1189 L N 7.131 128.320 121.223 -0.057 0.000 2.395 1189 L HA 0.381 4.721 4.340 -0.000 0.000 0.269 1189 L C -2.107 174.778 176.870 0.026 0.000 1.133 1189 L CA -1.634 53.147 54.840 -0.098 0.000 0.812 1189 L CB 1.193 43.085 42.059 -0.278 0.000 1.125 1189 L HN 0.360 nan 8.230 nan 0.000 0.452 1190 P HA 0.085 nan 4.420 nan 0.000 0.269 1190 P C 0.112 177.544 177.300 0.220 0.000 1.215 1190 P CA -0.167 63.006 63.100 0.122 0.000 0.780 1190 P CB 0.518 32.254 31.700 0.060 0.000 0.898 1191 R N 1.254 121.877 120.500 0.205 0.000 2.105 1191 R HA -0.130 4.210 4.340 -0.000 0.000 0.239 1191 R C 0.353 176.690 176.300 0.060 0.000 1.135 1191 R CA 1.450 57.631 56.100 0.135 0.000 0.967 1191 R CB -0.435 29.904 30.300 0.065 0.000 0.861 1191 R HN 0.556 nan 8.270 nan 0.000 0.442 1192 D N -0.089 120.351 120.400 0.065 0.000 2.370 1192 D HA 0.175 4.815 4.640 -0.000 0.000 0.230 1192 D C 0.700 177.012 176.300 0.021 0.000 1.143 1192 D CA 0.528 54.544 54.000 0.026 0.000 0.834 1192 D CB 0.279 41.098 40.800 0.032 0.000 0.944 1192 D HN 0.346 nan 8.370 nan 0.000 0.504 1193 G N 0.466 109.290 108.800 0.041 0.000 2.795 1193 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.664 1193 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.664 1193 G C -0.356 174.492 174.900 -0.086 0.000 1.381 1193 G CA -0.926 44.157 45.100 -0.029 0.000 0.853 1193 G HN 0.236 nan 8.290 nan 0.000 0.545 1194 L N 0.480 121.610 121.223 -0.155 0.000 2.452 1194 L HA 0.452 4.792 4.340 -0.000 0.000 0.267 1194 L C 0.748 177.622 176.870 0.006 0.000 1.188 1194 L CA -0.247 54.480 54.840 -0.189 0.000 0.821 1194 L CB 0.605 42.534 42.059 -0.217 0.000 1.102 1194 L HN 0.478 nan 8.230 nan 0.000 0.470 1195 K N 1.016 121.481 120.400 0.109 0.000 2.395 1195 K HA 0.361 4.681 4.320 -0.000 0.000 0.247 1195 K C -0.848 175.931 176.600 0.298 0.000 0.973 1195 K CA -0.776 55.611 56.287 0.167 0.000 0.828 1195 K CB 2.064 34.657 32.500 0.156 0.000 1.272 1195 K HN 0.572 nan 8.250 nan 0.000 0.439 1196 D N -0.600 119.911 120.400 0.185 0.000 2.496 1196 D HA 0.013 4.653 4.640 -0.000 0.000 0.283 1196 D C 1.159 177.544 176.300 0.141 0.000 1.214 1196 D CA 0.187 54.304 54.000 0.195 0.000 1.089 1196 D CB -0.131 40.750 40.800 0.136 0.000 1.141 1196 D HN 0.586 nan 8.370 nan 0.000 0.580 1197 H N -1.572 117.504 119.070 0.011 0.000 2.546 1197 H HA 0.133 4.689 4.556 -0.000 0.000 0.277 1197 H C 0.294 175.638 175.328 0.027 0.000 1.004 1197 H CA 0.702 56.754 56.048 0.006 0.000 1.231 1197 H CB -0.369 29.367 29.762 -0.043 0.000 1.382 1197 H HN 0.549 nan 8.280 nan 0.000 0.580 1198 E N 0.153 120.004 120.200 -0.583 0.000 2.465 1198 E HA 0.228 4.578 4.350 -0.000 0.000 0.195 1198 E C 0.767 177.292 176.600 -0.125 0.000 1.028 1198 E CA 0.130 56.340 56.400 -0.316 0.000 0.899 1198 E CB 0.530 30.012 29.700 -0.364 0.000 1.032 1198 E HN 0.671 nan 8.360 nan 0.000 0.468 1199 G N 2.567 111.339 108.800 -0.047 0.000 2.159 1199 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.256 1199 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.256 1199 G C 0.264 175.167 174.900 0.006 0.000 0.977 1199 G CA 0.407 45.516 45.100 0.016 0.000 0.652 1199 G HN 0.228 nan 8.290 nan 0.000 0.531 1200 K N 1.045 121.431 120.400 -0.023 0.000 2.174 1200 K HA 0.518 4.838 4.320 -0.000 0.000 0.275 1200 K C -2.417 174.194 176.600 0.019 0.000 1.015 1200 K CA -2.016 54.264 56.287 -0.012 0.000 0.933 1200 K CB 1.217 33.690 32.500 -0.045 0.000 1.025 1200 K HN -0.008 nan 8.250 nan 0.000 0.463 1201 P HA -0.102 nan 4.420 nan 0.000 0.265 1201 P C -1.171 176.142 177.300 0.022 0.000 1.187 1201 P CA -0.231 62.879 63.100 0.017 0.000 0.766 1201 P CB 0.646 32.343 31.700 -0.004 0.000 0.820 1202 V N 1.017 120.951 119.914 0.033 0.000 2.925 1202 V HA 0.785 4.905 4.120 -0.000 0.000 0.311 1202 V C -0.799 175.302 176.094 0.012 0.000 1.104 1202 V CA -0.944 61.380 62.300 0.041 0.000 0.954 1202 V CB 2.780 34.666 31.823 0.105 0.000 1.022 1202 V HN 0.252 nan 8.190 nan 0.000 0.427 1203 R N 1.717 122.212 120.500 -0.009 0.000 2.807 1203 R HA 0.616 4.956 4.340 -0.000 0.000 0.276 1203 R C -1.308 174.981 176.300 -0.017 0.000 0.979 1203 R CA -0.523 55.518 56.100 -0.098 0.000 0.928 1203 R CB 1.938 32.148 30.300 -0.150 0.000 1.191 1203 R HN 0.990 nan 8.270 nan 0.000 0.471 1204 Y N -1.293 118.984 120.300 -0.038 0.000 2.453 1204 Y HA 0.465 5.015 4.550 -0.000 0.000 0.326 1204 Y C 0.571 176.438 175.900 -0.055 0.000 1.186 1204 Y CA -1.002 57.072 58.100 -0.043 0.000 1.200 1204 Y CB 1.044 39.467 38.460 -0.061 0.000 1.247 1204 Y HN 0.424 nan 8.280 nan 0.000 0.482 1205 D N 0.382 120.852 120.400 0.116 0.000 2.327 1205 D HA 0.073 4.713 4.640 -0.000 0.000 0.205 1205 D C -0.279 176.069 176.300 0.080 0.000 0.989 1205 D CA 0.962 54.983 54.000 0.036 0.000 0.873 1205 D CB 0.476 41.290 40.800 0.024 0.000 0.955 1205 D HN 0.634 nan 8.370 nan 0.000 0.515 1206 T N 0.103 114.735 114.554 0.131 0.000 2.982 1206 T HA 0.311 4.661 4.350 -0.000 0.000 0.321 1206 T C -1.249 173.279 174.700 -0.287 0.000 1.229 1206 T CA -0.542 61.510 62.100 -0.080 0.000 1.044 1206 T CB 3.097 71.787 68.868 -0.298 0.000 1.184 1206 T HN -0.217 nan 8.240 nan 0.000 0.477 1207 V N 3.793 123.447 119.914 -0.434 0.000 2.487 1207 V HA 0.762 4.881 4.120 -0.000 0.000 0.298 1207 V C -1.922 173.807 176.094 -0.609 0.000 1.028 1207 V CA -0.454 61.487 62.300 -0.599 0.000 0.860 1207 V CB 1.076 32.528 31.823 -0.618 0.000 0.991 1207 V HN 0.833 nan 8.190 nan 0.000 0.427 1208 Y N 5.909 126.024 120.300 -0.309 0.000 2.429 1208 Y HA 0.546 5.096 4.550 -0.000 0.000 0.342 1208 Y C -0.609 175.208 175.900 -0.138 0.000 1.004 1208 Y CA -0.987 56.954 58.100 -0.264 0.000 1.075 1208 Y CB 1.929 40.180 38.460 -0.349 0.000 1.214 1208 Y HN 0.714 nan 8.280 nan 0.000 0.455 1209 Y N 4.922 125.187 120.300 -0.059 0.000 2.342 1209 Y HA 0.539 5.089 4.550 -0.000 0.000 0.338 1209 Y C -1.380 174.424 175.900 -0.161 0.000 0.965 1209 Y CA -2.152 55.891 58.100 -0.095 0.000 1.159 1209 Y CB 0.428 38.839 38.460 -0.082 0.000 1.157 1209 Y HN 0.370 nan 8.280 nan 0.000 0.486 1210 I N 6.361 126.715 120.570 -0.360 0.000 2.307 1210 I HA 0.330 4.500 4.170 -0.000 0.000 0.289 1210 I C 0.699 176.390 176.117 -0.711 0.000 1.021 1210 I CA -0.729 60.179 61.300 -0.652 0.000 1.224 1210 I CB 0.763 38.218 38.000 -0.908 0.000 1.376 1210 I HN 0.868 nan 8.210 nan 0.000 0.470 1211 G N 5.634 113.966 108.800 -0.781 0.000 2.356 1211 G HA2 0.361 4.321 3.960 -0.000 0.000 0.312 1211 G HA3 0.361 4.321 3.960 -0.000 0.000 0.312 1211 G C -0.229 174.616 174.900 -0.092 0.000 1.096 1211 G CA -0.388 44.407 45.100 -0.508 0.000 0.950 1211 G HN 0.655 nan 8.290 nan 0.000 0.428 1212 E N 1.601 121.843 120.200 0.069 0.000 2.216 1212 E HA 0.560 4.910 4.350 -0.000 0.000 0.279 1212 E C -0.253 176.397 176.600 0.082 0.000 0.997 1212 E CA -0.562 55.982 56.400 0.240 0.000 0.817 1212 E CB 0.919 30.937 29.700 0.530 0.000 1.096 1212 E HN 0.481 nan 8.360 nan 0.000 0.393 1213 S N 3.259 118.953 115.700 -0.010 0.000 2.536 1213 S HA 0.333 4.803 4.470 -0.000 0.000 0.271 1213 S C -1.245 173.106 174.600 -0.415 0.000 1.134 1213 S CA -1.197 56.905 58.200 -0.164 0.000 0.897 1213 S CB 1.393 64.528 63.200 -0.107 0.000 1.094 1213 S HN 0.521 nan 8.310 nan 0.000 0.473 1214 D N 0.978 121.080 120.400 -0.497 0.000 2.198 1214 D HA 0.499 5.139 4.640 -0.000 0.000 0.245 1214 D C -0.635 175.179 176.300 -0.809 0.000 1.079 1214 D CA -0.166 53.533 54.000 -0.502 0.000 0.854 1214 D CB 0.667 41.348 40.800 -0.197 0.000 1.148 1214 D HN 0.739 nan 8.370 nan 0.000 0.456 1215 H N -0.189 118.649 119.070 -0.387 0.000 2.894 1215 H HA 0.400 4.956 4.556 -0.000 0.000 0.368 1215 H C -1.052 173.938 175.328 -0.563 0.000 1.181 1215 H CA -0.840 55.056 56.048 -0.253 0.000 1.146 1215 H CB 1.851 31.548 29.762 -0.109 0.000 1.839 1215 H HN 0.319 nan 8.280 nan 0.000 0.557 1216 Y N 1.206 121.635 120.300 0.215 0.000 2.477 1216 Y HA 0.225 4.775 4.550 0.000 0.000 0.340 1216 Y C -0.807 175.213 175.900 0.200 0.000 0.987 1216 Y CA -0.625 57.576 58.100 0.169 0.000 1.127 1216 Y CB 0.335 38.867 38.460 0.121 0.000 1.139 1216 Y HN 0.355 nan 8.280 nan 0.000 0.637 1217 I N 4.665 125.387 120.570 0.254 0.000 2.452 1217 I HA 0.181 4.351 4.170 -0.000 0.000 0.287 1217 I C -2.130 174.261 176.117 0.456 0.000 1.079 1217 I CA -3.137 58.340 61.300 0.295 0.000 1.387 1217 I CB 0.254 38.287 38.000 0.054 0.000 1.404 1217 I HN 0.178 nan 8.210 nan 0.000 0.522 1218 P HA 0.292 nan 4.420 nan 0.000 0.276 1218 P C -0.823 176.682 177.300 0.342 0.000 1.244 1218 P CA -0.598 62.709 63.100 0.345 0.000 0.801 1218 P CB 1.187 33.077 31.700 0.317 0.000 1.006 1219 K N 1.028 121.530 120.400 0.170 0.000 2.270 1219 K HA 0.306 4.625 4.320 -0.000 0.000 0.255 1219 K C 0.078 176.684 176.600 0.011 0.000 0.936 1219 K CA -0.605 55.685 56.287 0.006 0.000 0.809 1219 K CB 1.195 33.611 32.500 -0.140 0.000 1.131 1219 K HN 0.471 nan 8.250 nan 0.000 0.427 1220 D N 0.490 120.878 120.400 -0.019 0.000 2.399 1220 D HA 0.008 4.648 4.640 -0.000 0.000 0.288 1220 D C 0.611 176.894 176.300 -0.028 0.000 1.197 1220 D CA -0.096 53.899 54.000 -0.007 0.000 1.081 1220 D CB 0.269 41.058 40.800 -0.018 0.000 1.139 1220 D HN 0.475 nan 8.370 nan 0.000 0.554 1221 E N -0.850 119.337 120.200 -0.022 0.000 2.208 1221 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 1221 E C 0.780 177.359 176.600 -0.035 0.000 0.988 1221 E CA 1.193 57.578 56.400 -0.025 0.000 0.828 1221 E CB -0.301 29.389 29.700 -0.016 0.000 0.763 1221 E HN 0.604 nan 8.360 nan 0.000 0.478 1222 D N -0.314 120.062 120.400 -0.041 0.000 2.336 1222 D HA 0.035 4.675 4.640 -0.000 0.000 0.229 1222 D C 1.147 177.406 176.300 -0.068 0.000 1.061 1222 D CA 0.627 54.600 54.000 -0.045 0.000 0.875 1222 D CB 0.251 41.029 40.800 -0.037 0.000 0.904 1222 D HN 0.178 nan 8.370 nan 0.000 0.525 1223 G N -0.276 108.470 108.800 -0.089 0.000 2.141 1223 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.242 1223 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.242 1223 G C 0.356 175.128 174.900 -0.214 0.000 0.982 1223 G CA 0.469 45.485 45.100 -0.141 0.000 0.662 1223 G HN 0.805 nan 8.290 nan 0.000 0.527 1224 T N -2.062 112.394 114.554 -0.164 0.000 2.945 1224 T HA 0.659 5.009 4.350 -0.000 0.000 0.286 1224 T C 0.107 174.707 174.700 -0.166 0.000 1.025 1224 T CA -0.970 61.023 62.100 -0.177 0.000 1.039 1224 T CB 1.890 70.724 68.868 -0.056 0.000 1.068 1224 T HN 0.252 nan 8.240 nan 0.000 0.497 1225 Y N 1.257 121.588 120.300 0.052 0.000 2.497 1225 Y HA 0.293 4.843 4.550 -0.000 0.000 0.334 1225 Y C 1.053 176.968 175.900 0.025 0.000 1.199 1225 Y CA -0.517 57.628 58.100 0.075 0.000 1.425 1225 Y CB 0.211 38.741 38.460 0.117 0.000 1.291 1225 Y HN 0.483 nan 8.280 nan 0.000 0.562 1226 M N 4.148 123.857 119.600 0.182 0.000 2.342 1226 M HA 0.470 4.949 4.480 -0.000 0.000 0.332 1226 M C -0.087 176.071 176.300 -0.237 0.000 1.166 1226 M CA -0.412 54.830 55.300 -0.096 0.000 1.086 1226 M CB 1.057 33.526 32.600 -0.218 0.000 1.541 1226 M HN 0.444 nan 8.290 nan 0.000 0.462 1227 R N 1.170 121.365 120.500 -0.507 0.000 2.740 1227 R HA 0.740 5.080 4.340 -0.000 0.000 0.282 1227 R C -1.580 174.296 176.300 -0.707 0.000 0.969 1227 R CA -0.434 55.424 56.100 -0.403 0.000 0.918 1227 R CB 1.966 32.093 30.300 -0.288 0.000 1.175 1227 R HN 0.559 nan 8.270 nan 0.000 0.464 1228 F N -1.254 118.706 119.950 0.017 0.000 2.664 1228 F HA 0.173 4.700 4.527 -0.000 0.000 0.329 1228 F C 1.486 177.294 175.800 0.014 0.000 1.090 1228 F CA -0.542 57.477 58.000 0.032 0.000 0.978 1228 F CB 1.882 40.925 39.000 0.072 0.000 1.378 1228 F HN 0.527 nan 8.300 nan 0.000 0.495 1229 S N -1.537 114.303 115.700 0.233 0.000 2.486 1229 S HA 0.213 4.683 4.470 -0.000 0.000 0.220 1229 S C -0.436 174.242 174.600 0.131 0.000 1.011 1229 S CA 0.577 58.850 58.200 0.123 0.000 0.921 1229 S CB -0.597 62.654 63.200 0.086 0.000 0.785 1229 S HN 0.712 nan 8.310 nan 0.000 0.517 1230 D N -1.216 119.284 120.400 0.168 0.000 2.665 1230 D HA 0.428 5.068 4.640 -0.000 0.000 0.287 1230 D C -2.812 173.581 176.300 0.156 0.000 1.266 1230 D CA -1.672 52.406 54.000 0.130 0.000 0.830 1230 D CB 0.433 41.294 40.800 0.101 0.000 1.356 1230 D HN -0.278 nan 8.370 nan 0.000 0.437 1231 P HA -0.134 nan 4.420 nan 0.000 0.215 1231 P C 1.061 178.579 177.300 0.363 0.000 1.153 1231 P CA 1.497 64.754 63.100 0.262 0.000 0.853 1231 P CB 0.120 31.938 31.700 0.197 0.000 0.788 1232 S N -0.735 115.110 115.700 0.242 0.000 2.368 1232 S HA -0.204 4.266 4.470 -0.000 0.000 0.225 1232 S C 1.915 176.511 174.600 -0.006 0.000 1.030 1232 S CA 1.110 59.359 58.200 0.082 0.000 0.999 1232 S CB -0.850 62.369 63.200 0.033 0.000 0.844 1232 S HN 0.307 nan 8.310 nan 0.000 0.459 1233 E N 0.590 120.804 120.200 0.023 0.000 2.097 1233 E HA -0.168 4.182 4.350 -0.000 0.000 0.196 1233 E C 1.833 178.286 176.600 -0.245 0.000 1.000 1233 E CA 1.161 57.564 56.400 0.005 0.000 0.804 1233 E CB -0.328 29.477 29.700 0.174 0.000 0.740 1233 E HN 0.534 nan 8.360 nan 0.000 0.454 1234 G N -0.827 107.614 108.800 -0.598 0.000 3.026 1234 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.208 1234 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.208 1234 G C 0.917 175.464 174.900 -0.589 0.000 1.169 1234 G CA 0.061 44.247 45.100 -1.523 0.000 0.788 1234 G HN 0.305 nan 8.290 nan 0.000 0.533 1235 Y N 1.365 121.394 120.300 -0.451 0.000 2.153 1235 Y HA -0.071 4.479 4.550 -0.000 0.000 0.289 1235 Y C 2.555 178.212 175.900 -0.404 0.000 1.127 1235 Y CA 1.741 59.509 58.100 -0.554 0.000 1.131 1235 Y CB 0.157 38.112 38.460 -0.842 0.000 0.995 1235 Y HN 0.197 nan 8.280 nan 0.000 0.505 1236 E N 0.299 120.274 120.200 -0.374 0.000 2.110 1236 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 1236 E C 1.787 178.222 176.600 -0.275 0.000 0.988 1236 E CA 1.443 57.625 56.400 -0.364 0.000 0.804 1236 E CB -0.350 29.267 29.700 -0.138 0.000 0.745 1236 E HN 0.642 nan 8.360 nan 0.000 0.458 1237 D N 0.434 120.725 120.400 -0.183 0.000 2.144 1237 D HA -0.111 4.529 4.640 -0.000 0.000 0.200 1237 D C 2.019 178.291 176.300 -0.046 0.000 0.978 1237 D CA 0.655 54.629 54.000 -0.044 0.000 0.833 1237 D CB -0.168 40.705 40.800 0.122 0.000 0.961 1237 D HN 0.156 nan 8.370 nan 0.000 0.470 1238 M N 0.687 120.220 119.600 -0.112 0.000 2.117 1238 M HA -0.146 4.334 4.480 -0.000 0.000 0.262 1238 M C 2.042 178.284 176.300 -0.095 0.000 1.065 1238 M CA 1.017 56.316 55.300 -0.002 0.000 1.114 1238 M CB 0.086 32.741 32.600 0.091 0.000 1.361 1238 M HN -0.201 nan 8.290 nan 0.000 0.408 1239 V N 0.947 120.645 119.914 -0.360 0.000 2.380 1239 V HA -0.298 3.822 4.120 -0.000 0.000 0.251 1239 V C 2.636 178.617 176.094 -0.188 0.000 1.063 1239 V CA 2.021 64.100 62.300 -0.368 0.000 1.055 1239 V CB -1.315 30.133 31.823 -0.624 0.000 0.657 1239 V HN 0.677 nan 8.190 nan 0.000 0.455 1240 A N -0.657 122.084 122.820 -0.133 0.000 1.969 1240 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 1240 A C 2.322 179.902 177.584 -0.008 0.000 1.169 1240 A CA 1.904 53.904 52.037 -0.061 0.000 0.635 1240 A CB -0.436 18.545 19.000 -0.032 0.000 0.810 1240 A HN 0.372 nan 8.150 nan 0.000 0.445 1241 V N -0.401 119.541 119.914 0.046 0.000 2.407 1241 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 1241 V C 2.540 178.701 176.094 0.110 0.000 1.041 1241 V CA 1.881 64.263 62.300 0.137 0.000 1.040 1241 V CB -0.722 31.263 31.823 0.270 0.000 0.671 1241 V HN 0.549 nan 8.190 nan 0.000 0.455 1242 M N 0.011 119.580 119.600 -0.053 0.000 2.144 1242 M HA -0.250 4.230 4.480 -0.000 0.000 0.260 1242 M C 1.790 177.946 176.300 -0.241 0.000 1.067 1242 M CA 1.896 56.958 55.300 -0.396 0.000 1.095 1242 M CB -0.579 31.795 32.600 -0.377 0.000 1.365 1242 M HN 0.274 nan 8.290 nan 0.000 0.406 1243 D N -0.469 119.859 120.400 -0.121 0.000 2.310 1243 D HA -0.083 4.557 4.640 -0.000 0.000 0.212 1243 D C 1.941 178.224 176.300 -0.029 0.000 0.965 1243 D CA 1.528 55.483 54.000 -0.075 0.000 0.879 1243 D CB -0.155 40.611 40.800 -0.057 0.000 0.921 1243 D HN 0.478 nan 8.370 nan 0.000 0.510 1244 T N -2.392 112.166 114.554 0.007 0.000 3.081 1244 T HA 0.092 4.442 4.350 -0.000 0.000 0.250 1244 T C 1.504 176.241 174.700 0.062 0.000 1.100 1244 T CA -0.111 62.012 62.100 0.039 0.000 1.038 1244 T CB -0.074 68.835 68.868 0.069 0.000 0.962 1244 T HN 0.209 nan 8.240 nan 0.000 0.516 1245 L N -0.811 120.446 121.223 0.057 0.000 4.625 1245 L HA -0.142 4.198 4.340 -0.000 0.000 0.428 1245 L C -0.191 176.822 176.870 0.239 0.000 1.129 1245 L CA 0.340 55.246 54.840 0.110 0.000 0.978 1245 L CB -2.033 40.061 42.059 0.058 0.000 2.043 1245 L HN 0.450 nan 8.230 nan 0.000 0.847 1246 I N 0.450 121.171 120.570 0.252 0.000 2.354 1246 I HA 0.396 4.566 4.170 -0.000 0.000 0.292 1246 I C -2.053 174.158 176.117 0.157 0.000 0.989 1246 I CA -1.784 59.616 61.300 0.166 0.000 1.188 1246 I CB 1.580 39.637 38.000 0.094 0.000 1.342 1246 I HN -0.277 nan 8.210 nan 0.000 0.457 1247 P HA 0.177 nan 4.420 nan 0.000 0.282 1247 P C 0.286 177.413 177.300 -0.289 0.000 1.249 1247 P CA -0.427 62.330 63.100 -0.573 0.000 0.806 1247 P CB 1.176 32.570 31.700 -0.511 0.000 0.984 1248 S N 0.410 115.948 115.700 -0.270 0.000 2.446 1248 S HA 0.023 4.493 4.470 -0.000 0.000 0.225 1248 S C 0.179 174.393 174.600 -0.644 0.000 1.016 1248 S CA 0.745 58.802 58.200 -0.238 0.000 0.943 1248 S CB -0.664 62.524 63.200 -0.019 0.000 0.786 1248 S HN 0.534 nan 8.310 nan 0.000 0.508 1249 H N -0.624 118.316 119.070 -0.216 0.000 2.974 1249 H HA 0.670 5.226 4.556 -0.000 0.000 0.366 1249 H C -1.374 173.838 175.328 -0.194 0.000 1.155 1249 H CA -0.668 55.273 56.048 -0.178 0.000 1.186 1249 H CB 1.510 31.173 29.762 -0.166 0.000 1.799 1249 H HN 0.109 nan 8.280 nan 0.000 0.541 1250 I N 3.081 123.579 120.570 -0.121 0.000 2.468 1250 I HA 0.463 4.633 4.170 -0.000 0.000 0.285 1250 I C -0.795 175.179 176.117 -0.238 0.000 1.039 1250 I CA -1.015 60.173 61.300 -0.187 0.000 1.074 1250 I CB 1.630 39.508 38.000 -0.204 0.000 1.228 1250 I HN 0.366 nan 8.210 nan 0.000 0.436 1251 V N 1.941 121.736 119.914 -0.198 0.000 3.078 1251 V HA 0.640 4.760 4.120 -0.000 0.000 0.311 1251 V C -1.130 174.822 176.094 -0.237 0.000 1.138 1251 V CA -0.755 61.378 62.300 -0.278 0.000 1.007 1251 V CB 2.270 34.038 31.823 -0.091 0.000 1.045 1251 V HN 0.358 nan 8.190 nan 0.000 0.432 1252 F N 1.504 121.406 119.950 -0.080 0.000 2.399 1252 F HA 0.566 5.093 4.527 -0.000 0.000 0.334 1252 F C 1.402 177.110 175.800 -0.153 0.000 1.097 1252 F CA -0.549 57.364 58.000 -0.145 0.000 1.076 1252 F CB 0.536 39.435 39.000 -0.168 0.000 1.162 1252 F HN 0.930 nan 8.300 nan 0.000 0.495 1253 N N 1.258 119.977 118.700 0.032 0.000 2.693 1253 N HA -0.246 4.494 4.740 -0.000 0.000 0.249 1253 N C 0.981 176.471 175.510 -0.034 0.000 1.119 1253 N CA 0.740 53.756 53.050 -0.056 0.000 0.717 1253 N CB -0.691 37.743 38.487 -0.088 0.000 1.071 1253 N HN 1.163 nan 8.380 nan 0.000 0.555 1254 G N -2.096 106.695 108.800 -0.014 0.000 2.175 1254 G HA2 0.030 3.990 3.960 -0.000 0.000 0.244 1254 G HA3 0.030 3.990 3.960 -0.000 0.000 0.244 1254 G C -0.054 174.786 174.900 -0.100 0.000 0.982 1254 G CA 0.627 45.702 45.100 -0.042 0.000 0.641 1254 G HN 1.382 nan 8.290 nan 0.000 0.527 1255 A N -1.522 121.241 122.820 -0.096 0.000 2.590 1255 A HA 0.732 5.052 4.320 -0.000 0.000 0.294 1255 A C -0.133 177.376 177.584 -0.124 0.000 1.046 1255 A CA 0.103 52.055 52.037 -0.141 0.000 0.684 1255 A CB 0.792 19.709 19.000 -0.138 0.000 1.279 1255 A HN 1.519 nan 8.150 nan 0.000 0.415 1256 V N 1.538 121.374 119.914 -0.130 0.000 2.720 1256 V HA 0.356 4.476 4.120 -0.000 0.000 0.307 1256 V C 1.816 177.847 176.094 -0.105 0.000 1.071 1256 V CA 2.364 64.596 62.300 -0.113 0.000 1.199 1256 V CB 0.611 32.384 31.823 -0.083 0.000 0.900 1256 V HN 2.603 nan 8.190 nan 0.000 0.494 1257 G N 3.708 112.444 108.800 -0.106 0.000 2.212 1257 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.266 1257 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.266 1257 G C 1.083 175.932 174.900 -0.085 0.000 0.978 1257 G CA 0.711 45.751 45.100 -0.100 0.000 0.632 1257 G HN 1.473 nan 8.290 nan 0.000 0.537 1258 A N -0.280 122.497 122.820 -0.071 0.000 1.986 1258 A HA 0.264 4.584 4.320 -0.000 0.000 0.220 1258 A C 1.961 179.511 177.584 -0.057 0.000 1.171 1258 A CA 1.783 53.788 52.037 -0.054 0.000 0.640 1258 A CB -0.198 18.774 19.000 -0.047 0.000 0.811 1258 A HN 0.984 nan 8.150 nan 0.000 0.451 1259 L N 0.376 121.562 121.223 -0.063 0.000 3.017 1259 L HA 0.191 4.530 4.340 -0.000 0.000 0.255 1259 L C 0.407 177.198 176.870 -0.132 0.000 1.247 1259 L CA 0.063 54.846 54.840 -0.095 0.000 1.038 1259 L CB 0.096 42.095 42.059 -0.100 0.000 1.380 1259 L HN 0.466 nan 8.230 nan 0.000 0.548 1260 T N -4.193 110.274 114.554 -0.145 0.000 2.907 1260 T HA 0.812 5.162 4.350 -0.000 0.000 0.290 1260 T C 0.601 175.282 174.700 -0.030 0.000 1.066 1260 T CA 0.057 62.037 62.100 -0.200 0.000 1.012 1260 T CB 2.691 71.291 68.868 -0.447 0.000 1.184 1260 T HN 0.275 nan 8.240 nan 0.000 0.522 1261 G N 1.440 110.277 108.800 0.062 0.000 2.536 1261 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.280 1261 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.280 1261 G C 0.784 175.712 174.900 0.046 0.000 1.152 1261 G CA 0.698 45.831 45.100 0.054 0.000 0.970 1261 G HN 1.208 nan 8.290 nan 0.000 0.549 1262 E N 1.974 122.194 120.200 0.033 0.000 2.418 1262 E HA 0.100 4.450 4.350 -0.000 0.000 0.197 1262 E C 1.990 178.617 176.600 0.045 0.000 1.026 1262 E CA 1.399 57.824 56.400 0.041 0.000 0.862 1262 E CB -0.622 29.099 29.700 0.035 0.000 0.799 1262 E HN 0.909 nan 8.360 nan 0.000 0.518 1263 G N 0.758 109.571 108.800 0.022 0.000 3.337 1263 G HA2 0.370 4.330 3.960 -0.000 0.000 0.246 1263 G HA3 0.370 4.330 3.960 -0.000 0.000 0.246 1263 G C 0.448 175.325 174.900 -0.038 0.000 1.131 1263 G CA 0.164 45.269 45.100 0.009 0.000 0.773 1263 G HN 0.347 nan 8.290 nan 0.000 0.544 1264 A N 0.457 123.274 122.820 -0.006 0.000 2.587 1264 A HA 0.372 4.692 4.320 -0.000 0.000 0.233 1264 A C 0.584 178.120 177.584 -0.080 0.000 1.049 1264 A CA 0.186 52.217 52.037 -0.009 0.000 0.754 1264 A CB 0.164 19.211 19.000 0.080 0.000 0.977 1264 A HN 0.357 nan 8.150 nan 0.000 0.509 1265 L N 1.783 122.900 121.223 -0.178 0.000 2.439 1265 L HA 0.393 4.733 4.340 -0.000 0.000 0.261 1265 L C 0.317 177.128 176.870 -0.099 0.000 1.153 1265 L CA -0.457 54.166 54.840 -0.362 0.000 0.808 1265 L CB 0.417 42.104 42.059 -0.620 0.000 1.126 1265 L HN 0.577 nan 8.230 nan 0.000 0.460 1266 K N 1.406 121.815 120.400 0.015 0.000 2.371 1266 K HA 0.858 5.178 4.320 -0.000 0.000 0.251 1266 K C -0.967 175.695 176.600 0.104 0.000 0.934 1266 K CA -0.535 55.803 56.287 0.084 0.000 0.798 1266 K CB 2.303 34.888 32.500 0.142 0.000 1.204 1266 K HN 0.730 nan 8.250 nan 0.000 0.427 1267 A N 1.789 124.584 122.820 -0.043 0.000 2.588 1267 A HA 0.746 5.066 4.320 -0.000 0.000 0.290 1267 A C -1.256 176.270 177.584 -0.096 0.000 1.136 1267 A CA -0.745 51.232 52.037 -0.099 0.000 0.681 1267 A CB 1.457 20.233 19.000 -0.374 0.000 1.282 1267 A HN 0.532 nan 8.150 nan 0.000 0.421 1268 K N -0.239 120.134 120.400 -0.045 0.000 2.295 1268 K HA 0.644 4.964 4.320 -0.000 0.000 0.239 1268 K C -0.967 175.658 176.600 0.042 0.000 0.991 1268 K CA -0.877 55.412 56.287 0.004 0.000 0.845 1268 K CB 2.186 34.706 32.500 0.033 0.000 1.197 1268 K HN 0.362 nan 8.250 nan 0.000 0.441 1269 V N 1.718 121.679 119.914 0.079 0.000 2.585 1269 V HA 0.159 4.279 4.120 -0.000 0.000 0.296 1269 V C 1.217 177.364 176.094 0.089 0.000 1.035 1269 V CA 1.898 64.272 62.300 0.123 0.000 1.084 1269 V CB 0.367 32.255 31.823 0.109 0.000 0.953 1269 V HN 1.130 nan 8.190 nan 0.000 0.483 1270 G N 4.258 113.111 108.800 0.088 0.000 2.258 1270 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.233 1270 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.233 1270 G C 0.016 174.949 174.900 0.054 0.000 1.006 1270 G CA -0.023 45.103 45.100 0.044 0.000 0.620 1270 G HN 0.656 nan 8.290 nan 0.000 0.511 1271 D N 1.050 121.511 120.400 0.103 0.000 2.493 1271 D HA 0.301 4.941 4.640 -0.000 0.000 0.240 1271 D C 0.345 176.719 176.300 0.123 0.000 1.142 1271 D CA 0.234 54.303 54.000 0.114 0.000 0.872 1271 D CB 0.559 41.444 40.800 0.141 0.000 1.173 1271 D HN 0.241 nan 8.370 nan 0.000 0.467 1272 N N 1.799 120.542 118.700 0.073 0.000 2.437 1272 N HA 0.207 4.947 4.740 -0.000 0.000 0.243 1272 N C -1.379 174.187 175.510 0.093 0.000 1.041 1272 N CA -0.340 52.747 53.050 0.061 0.000 0.940 1272 N CB 0.602 39.116 38.487 0.045 0.000 1.133 1272 N HN -0.007 nan 8.380 nan 0.000 0.506 1273 V N 3.507 123.473 119.914 0.087 0.000 2.483 1273 V HA 0.420 4.540 4.120 -0.000 0.000 0.295 1273 V C -0.156 175.849 176.094 -0.148 0.000 1.035 1273 V CA -1.001 61.263 62.300 -0.061 0.000 0.896 1273 V CB 1.599 33.397 31.823 -0.041 0.000 0.986 1273 V HN 0.439 nan 8.190 nan 0.000 0.447 1274 L N 5.278 126.307 121.223 -0.323 0.000 2.262 1274 L HA 0.594 4.934 4.340 -0.000 0.000 0.288 1274 L C -1.046 175.641 176.870 -0.306 0.000 1.035 1274 L CA 0.294 54.981 54.840 -0.255 0.000 0.820 1274 L CB 0.425 42.140 42.059 -0.574 0.000 1.204 1274 L HN 0.470 nan 8.230 nan 0.000 0.424 1275 F N 5.033 125.042 119.950 0.099 0.000 2.388 1275 F HA 0.464 4.991 4.527 -0.000 0.000 0.358 1275 F C 0.031 175.936 175.800 0.175 0.000 1.122 1275 F CA -0.716 57.351 58.000 0.111 0.000 1.056 1275 F CB 1.460 40.584 39.000 0.208 0.000 1.155 1275 F HN 0.082 nan 8.300 nan 0.000 0.461 1276 V N 3.470 123.536 119.914 0.254 0.000 2.407 1276 V HA 0.254 4.374 4.120 -0.000 0.000 0.278 1276 V C -0.610 175.701 176.094 0.362 0.000 1.037 1276 V CA -0.647 61.812 62.300 0.266 0.000 0.900 1276 V CB 1.173 33.065 31.823 0.115 0.000 0.983 1276 V HN 0.751 nan 8.190 nan 0.000 0.459 1277 H N 3.220 122.450 119.070 0.267 0.000 2.823 1277 H HA 0.593 5.149 4.556 -0.000 0.000 0.332 1277 H C -0.097 175.345 175.328 0.190 0.000 0.980 1277 H CA -0.325 55.860 56.048 0.229 0.000 1.286 1277 H CB 1.282 31.212 29.762 0.280 0.000 1.541 1277 H HN 0.780 nan 8.280 nan 0.000 0.521 1278 S N 4.413 120.383 115.700 0.451 0.000 2.638 1278 S HA 0.419 4.889 4.470 -0.000 0.000 0.298 1278 S C -0.584 174.174 174.600 0.264 0.000 1.111 1278 S CA -0.939 57.445 58.200 0.306 0.000 1.027 1278 S CB 2.304 65.663 63.200 0.264 0.000 1.064 1278 S HN 0.676 nan 8.310 nan 0.000 0.525 1279 Q N 1.228 121.104 119.800 0.127 0.000 2.567 1279 Q HA 0.300 4.640 4.340 -0.000 0.000 0.233 1279 Q C -2.578 173.429 176.000 0.010 0.000 0.833 1279 Q CA -1.411 54.437 55.803 0.076 0.000 0.844 1279 Q CB 2.330 31.090 28.738 0.037 0.000 1.423 1279 Q HN 0.599 nan 8.270 nan 0.000 0.442 1280 P HA 0.002 nan 4.420 nan 0.000 0.241 1280 P C 0.379 177.627 177.300 -0.087 0.000 1.191 1280 P CA 0.801 63.859 63.100 -0.070 0.000 0.771 1280 P CB 0.561 32.200 31.700 -0.103 0.000 0.929 1281 N N -1.026 117.645 118.700 -0.048 0.000 1.986 1281 N HA 0.067 4.807 4.740 -0.000 0.000 0.227 1281 N C -0.139 175.369 175.510 -0.004 0.000 1.387 1281 N CA -0.115 52.912 53.050 -0.038 0.000 0.810 1281 N CB 1.463 39.940 38.487 -0.017 0.000 1.140 1281 N HN -0.033 nan 8.380 nan 0.000 0.504 1282 R N 0.931 121.422 120.500 -0.014 0.000 2.604 1282 R HA 0.138 4.478 4.340 -0.000 0.000 0.261 1282 R C -1.556 174.707 176.300 -0.061 0.000 1.080 1282 R CA -0.490 55.606 56.100 -0.006 0.000 0.917 1282 R CB 1.213 31.531 30.300 0.030 0.000 1.252 1282 R HN -0.037 nan 8.270 nan 0.000 0.456 1283 D N 1.085 121.437 120.400 -0.081 0.000 2.362 1283 D HA 0.118 4.758 4.640 -0.000 0.000 0.238 1283 D C -0.331 175.854 176.300 -0.192 0.000 1.212 1283 D CA 0.446 54.302 54.000 -0.240 0.000 0.902 1283 D CB 1.265 41.941 40.800 -0.207 0.000 1.180 1283 D HN 0.354 nan 8.370 nan 0.000 0.445 1284 S N -0.938 114.550 115.700 -0.353 0.000 2.579 1284 S HA 0.514 4.984 4.470 -0.000 0.000 0.272 1284 S C -1.427 173.049 174.600 -0.206 0.000 1.141 1284 S CA -1.025 57.062 58.200 -0.188 0.000 0.843 1284 S CB 1.280 64.383 63.200 -0.161 0.000 1.122 1284 S HN 0.509 nan 8.310 nan 0.000 0.468 1285 R N 1.841 122.284 120.500 -0.095 0.000 2.494 1285 R HA 0.436 4.776 4.340 -0.000 0.000 0.284 1285 R C -3.213 172.915 176.300 -0.288 0.000 1.525 1285 R CA -1.763 54.300 56.100 -0.063 0.000 1.460 1285 R CB 0.572 30.938 30.300 0.110 0.000 1.134 1285 R HN 0.277 nan 8.270 nan 0.000 0.592 1286 P HA 0.077 nan 4.420 nan 0.000 0.272 1286 P C -1.076 175.465 177.300 -1.264 0.000 1.223 1286 P CA -0.023 62.527 63.100 -0.918 0.000 0.784 1286 P CB 0.548 31.511 31.700 -1.228 0.000 0.923 1287 H N 1.175 119.569 119.070 -1.127 0.000 2.954 1287 H HA 0.520 5.076 4.556 -0.000 0.000 0.361 1287 H C -1.844 173.081 175.328 -0.672 0.000 1.122 1287 H CA -0.863 54.699 56.048 -0.811 0.000 1.217 1287 H CB 0.834 30.411 29.762 -0.308 0.000 1.776 1287 H HN 0.169 nan 8.280 nan 0.000 0.533 1288 L N 6.510 127.198 121.223 -0.892 0.000 2.270 1288 L HA 0.418 4.758 4.340 -0.000 0.000 0.286 1288 L C -0.881 175.599 176.870 -0.650 0.000 1.059 1288 L CA -0.168 54.334 54.840 -0.564 0.000 0.839 1288 L CB -0.236 41.565 42.059 -0.430 0.000 1.221 1288 L HN 0.632 nan 8.230 nan 0.000 0.431 1289 I N 6.132 126.492 120.570 -0.349 0.000 2.598 1289 I HA 0.219 4.389 4.170 -0.000 0.000 0.284 1289 I C 1.437 177.551 176.117 -0.005 0.000 1.140 1289 I CA 0.956 62.182 61.300 -0.123 0.000 1.420 1289 I CB 0.206 38.261 38.000 0.091 0.000 1.387 1289 I HN 0.910 nan 8.210 nan 0.000 0.553 1290 G N 4.107 112.884 108.800 -0.037 0.000 2.194 1290 G HA2 -0.161 3.798 3.960 -0.000 0.000 0.236 1290 G HA3 -0.161 3.798 3.960 -0.000 0.000 0.236 1290 G C 0.295 175.268 174.900 0.123 0.000 0.987 1290 G CA -0.173 44.924 45.100 -0.004 0.000 0.635 1290 G HN 1.005 nan 8.290 nan 0.000 0.520 1291 G N -1.482 107.238 108.800 -0.133 0.000 3.247 1291 G HA2 0.770 4.730 3.960 -0.000 0.000 0.226 1291 G HA3 0.770 4.730 3.960 -0.000 0.000 0.226 1291 G C -0.821 173.496 174.900 -0.972 0.000 1.220 1291 G CA -0.025 44.797 45.100 -0.463 0.000 0.875 1291 G HN 0.636 nan 8.290 nan 0.000 0.606 1292 H N -2.620 115.959 119.070 -0.817 0.000 2.905 1292 H HA 0.554 5.110 4.556 -0.000 0.000 0.280 1292 H C -0.180 174.985 175.328 -0.272 0.000 1.445 1292 H CA -0.122 55.766 56.048 -0.266 0.000 1.165 1292 H CB 1.683 31.408 29.762 -0.062 0.000 1.857 1292 H HN 0.809 nan 8.280 nan 0.000 0.567 1293 G N 0.105 108.912 108.800 0.013 0.000 2.415 1293 G HA2 0.184 4.144 3.960 -0.000 0.000 0.317 1293 G HA3 0.184 4.144 3.960 -0.000 0.000 0.317 1293 G C -0.280 174.548 174.900 -0.120 0.000 1.152 1293 G CA -0.403 44.494 45.100 -0.338 0.000 0.956 1293 G HN 0.579 nan 8.290 nan 0.000 0.458 1294 D N 1.602 122.027 120.400 0.041 0.000 2.117 1294 D HA -0.040 4.600 4.640 -0.000 0.000 0.198 1294 D C 0.817 177.019 176.300 -0.163 0.000 0.982 1294 D CA 1.193 55.189 54.000 -0.007 0.000 0.828 1294 D CB 0.422 41.245 40.800 0.039 0.000 0.967 1294 D HN 0.246 nan 8.370 nan 0.000 0.464 1295 L N 0.682 121.759 121.223 -0.244 0.000 2.439 1295 L HA 0.364 4.704 4.340 -0.000 0.000 0.270 1295 L C -1.212 175.313 176.870 -0.574 0.000 0.972 1295 L CA -0.577 54.009 54.840 -0.423 0.000 0.836 1295 L CB 3.066 44.888 42.059 -0.394 0.000 1.255 1295 L HN -0.340 nan 8.230 nan 0.000 0.404 1296 V N 1.952 121.453 119.914 -0.688 0.000 2.588 1296 V HA 0.430 4.550 4.120 -0.000 0.000 0.304 1296 V C -1.028 174.754 176.094 -0.520 0.000 1.042 1296 V CA -0.481 61.464 62.300 -0.590 0.000 0.877 1296 V CB 2.445 33.883 31.823 -0.641 0.000 0.996 1296 V HN 0.636 nan 8.190 nan 0.000 0.425 1297 W N 4.167 125.415 121.300 -0.088 0.000 2.347 1297 W HA 0.337 4.996 4.660 -0.000 0.000 0.321 1297 W C 1.028 177.516 176.519 -0.053 0.000 0.971 1297 W CA -0.405 56.913 57.345 -0.046 0.000 1.508 1297 W CB 1.281 30.729 29.460 -0.021 0.000 1.299 1297 W HN 0.946 nan 8.180 nan 0.000 0.399 1298 E N -0.191 120.086 120.200 0.130 0.000 2.230 1298 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 1298 E C 1.559 178.237 176.600 0.130 0.000 0.987 1298 E CA 1.447 57.953 56.400 0.177 0.000 0.841 1298 E CB -0.120 29.720 29.700 0.234 0.000 0.783 1298 E HN 0.174 nan 8.360 nan 0.000 0.481 1299 T N -2.869 111.744 114.554 0.097 0.000 3.148 1299 T HA 0.305 4.655 4.350 -0.000 0.000 0.253 1299 T C 1.523 176.172 174.700 -0.084 0.000 1.134 1299 T CA 0.195 62.311 62.100 0.026 0.000 1.051 1299 T CB 0.324 69.214 68.868 0.036 0.000 0.959 1299 T HN 0.452 nan 8.240 nan 0.000 0.525 1300 G N 1.321 110.077 108.800 -0.074 0.000 2.132 1300 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.234 1300 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.234 1300 G C -0.214 174.229 174.900 -0.761 0.000 0.989 1300 G CA -0.241 44.665 45.100 -0.323 0.000 0.676 1300 G HN 0.538 nan 8.290 nan 0.000 0.522 1301 K N -0.139 119.934 120.400 -0.546 0.000 2.502 1301 K HA 0.553 4.872 4.320 -0.000 0.000 0.254 1301 K C 0.177 176.500 176.600 -0.462 0.000 0.947 1301 K CA -1.133 54.788 56.287 -0.610 0.000 0.834 1301 K CB 0.879 33.211 32.500 -0.281 0.000 1.112 1301 K HN -0.013 nan 8.250 nan 0.000 0.427 1302 F N 0.687 120.331 119.950 -0.510 0.000 2.748 1302 F HA 0.010 4.537 4.527 0.000 0.000 0.299 1302 F C 1.656 177.222 175.800 -0.389 0.000 1.154 1302 F CA 0.488 58.029 58.000 -0.765 0.000 1.446 1302 F CB -0.084 38.408 39.000 -0.846 0.000 1.112 1302 F HN 0.517 nan 8.300 nan 0.000 0.584 1303 H N -0.549 118.599 119.070 0.131 0.000 2.539 1303 H HA 0.162 4.718 4.556 -0.000 0.000 0.267 1303 H C 0.349 175.802 175.328 0.209 0.000 0.982 1303 H CA 0.067 56.215 56.048 0.167 0.000 1.146 1303 H CB -0.223 29.610 29.762 0.118 0.000 1.382 1303 H HN 0.143 nan 8.280 nan 0.000 0.577 1304 N N 0.627 119.519 118.700 0.321 0.000 2.493 1304 N HA 0.272 5.012 4.740 -0.000 0.000 0.275 1304 N C 0.103 175.841 175.510 0.380 0.000 1.186 1304 N CA -0.230 53.000 53.050 0.301 0.000 0.978 1304 N CB 1.483 40.118 38.487 0.247 0.000 1.184 1304 N HN 0.081 nan 8.380 nan 0.000 0.487 1305 A N 1.964 124.922 122.820 0.229 0.000 2.440 1305 A HA 0.303 4.623 4.320 -0.000 0.000 0.251 1305 A C -1.937 175.626 177.584 -0.036 0.000 1.089 1305 A CA -0.870 51.263 52.037 0.160 0.000 0.779 1305 A CB -0.302 18.756 19.000 0.097 0.000 1.022 1305 A HN 0.446 nan 8.150 nan 0.000 0.492 1306 P HA 0.255 nan 4.420 nan 0.000 0.277 1306 P C -0.398 176.648 177.300 -0.424 0.000 1.240 1306 P CA -0.272 62.311 63.100 -0.861 0.000 0.798 1306 P CB 1.030 31.714 31.700 -1.693 0.000 0.979 1307 E N 1.294 121.273 120.200 -0.368 0.000 2.322 1307 E HA 0.338 4.688 4.350 -0.000 0.000 0.257 1307 E C 0.116 176.520 176.600 -0.326 0.000 1.155 1307 E CA -0.604 55.631 56.400 -0.274 0.000 0.936 1307 E CB 0.898 30.485 29.700 -0.190 0.000 1.130 1307 E HN 0.343 nan 8.360 nan 0.000 0.465 1308 R N 0.782 121.119 120.500 -0.272 0.000 2.750 1308 R HA 0.178 4.518 4.340 -0.000 0.000 0.281 1308 R C -1.093 175.107 176.300 -0.166 0.000 0.972 1308 R CA -0.593 55.351 56.100 -0.261 0.000 0.912 1308 R CB 1.306 31.413 30.300 -0.321 0.000 1.187 1308 R HN 0.510 nan 8.270 nan 0.000 0.464 1309 D N 1.107 121.429 120.400 -0.129 0.000 2.947 1309 D HA -0.155 4.485 4.640 -0.000 0.000 0.224 1309 D C -0.364 175.946 176.300 0.015 0.000 1.132 1309 D CA 0.866 54.811 54.000 -0.091 0.000 0.801 1309 D CB -0.897 39.823 40.800 -0.133 0.000 1.097 1309 D HN 0.356 nan 8.370 nan 0.000 0.431 1310 L N 0.792 122.039 121.223 0.039 0.000 2.418 1310 L HA 0.157 4.497 4.340 -0.000 0.000 0.265 1310 L C 2.217 179.275 176.870 0.315 0.000 1.143 1310 L CA -0.054 54.874 54.840 0.147 0.000 0.809 1310 L CB 0.799 42.949 42.059 0.151 0.000 1.124 1310 L HN 0.099 nan 8.230 nan 0.000 0.456 1311 E N 0.215 120.585 120.200 0.284 0.000 2.127 1311 E HA 0.039 4.389 4.350 -0.000 0.000 0.191 1311 E C -0.206 176.596 176.600 0.336 0.000 0.964 1311 E CA 0.446 57.014 56.400 0.279 0.000 0.832 1311 E CB 0.359 30.147 29.700 0.147 0.000 0.790 1311 E HN 0.586 nan 8.360 nan 0.000 0.465 1312 T N 0.553 115.249 114.554 0.236 0.000 2.909 1312 T HA 0.466 4.816 4.350 -0.000 0.000 0.299 1312 T C -1.391 173.467 174.700 0.264 0.000 1.073 1312 T CA -0.858 61.281 62.100 0.064 0.000 0.999 1312 T CB 1.225 70.003 68.868 -0.149 0.000 1.098 1312 T HN 0.403 nan 8.240 nan 0.000 0.477 1313 W N 1.053 122.365 121.300 0.021 0.000 3.518 1313 W HA 0.881 5.541 4.660 -0.000 0.000 0.331 1313 W C -1.554 175.050 176.519 0.142 0.000 1.205 1313 W CA -1.319 56.060 57.345 0.057 0.000 0.956 1313 W CB 0.684 30.164 29.460 0.034 0.000 1.645 1313 W HN 0.512 nan 8.180 nan 0.000 0.615 1314 F N 1.954 122.002 119.950 0.164 0.000 2.573 1314 F HA 0.535 5.062 4.527 -0.000 0.000 0.316 1314 F C -1.327 174.492 175.800 0.032 0.000 1.148 1314 F CA -1.671 56.338 58.000 0.015 0.000 0.940 1314 F CB 1.115 40.128 39.000 0.020 0.000 1.214 1314 F HN 0.119 nan 8.300 nan 0.000 0.448 1315 I N 6.299 126.513 120.570 -0.593 0.000 2.330 1315 I HA 0.351 4.521 4.170 -0.000 0.000 0.286 1315 I C 0.213 175.915 176.117 -0.693 0.000 1.025 1315 I CA -0.516 60.520 61.300 -0.441 0.000 1.197 1315 I CB 1.163 38.930 38.000 -0.389 0.000 1.358 1315 I HN 0.570 nan 8.210 nan 0.000 0.467 1316 R N 3.233 123.449 120.500 -0.472 0.000 2.570 1316 R HA 0.254 4.594 4.340 -0.000 0.000 0.277 1316 R C 0.875 177.048 176.300 -0.211 0.000 1.039 1316 R CA -0.104 55.768 56.100 -0.380 0.000 1.065 1316 R CB 0.429 30.689 30.300 -0.066 0.000 0.964 1316 R HN 0.800 nan 8.270 nan 0.000 0.428 1317 G N 0.529 109.233 108.800 -0.160 0.000 2.368 1317 G HA2 0.255 4.215 3.960 -0.000 0.000 0.233 1317 G HA3 0.255 4.215 3.960 -0.000 0.000 0.233 1317 G C 0.881 175.777 174.900 -0.006 0.000 1.267 1317 G CA 0.248 45.307 45.100 -0.069 0.000 0.873 1317 G HN 0.828 nan 8.290 nan 0.000 0.539 1318 G N 0.482 109.297 108.800 0.025 0.000 2.132 1318 G HA2 0.099 4.058 3.960 -0.000 0.000 0.234 1318 G HA3 0.099 4.058 3.960 -0.000 0.000 0.234 1318 G C 0.377 175.394 174.900 0.195 0.000 0.989 1318 G CA 0.868 46.049 45.100 0.136 0.000 0.676 1318 G HN 2.215 nan 8.290 nan 0.000 0.522 1319 T N -3.334 111.269 114.554 0.082 0.000 2.739 1319 T HA 0.893 5.243 4.350 -0.000 0.000 0.303 1319 T C -0.571 174.143 174.700 0.023 0.000 1.389 1319 T CA 0.152 62.298 62.100 0.077 0.000 1.001 1319 T CB 1.725 70.601 68.868 0.013 0.000 1.436 1319 T HN 1.875 nan 8.240 nan 0.000 0.500 1320 A N -0.272 122.537 122.820 -0.017 0.000 2.371 1320 A HA 0.967 5.287 4.320 -0.000 0.000 0.311 1320 A C 0.186 177.746 177.584 -0.040 0.000 1.068 1320 A CA -0.275 51.765 52.037 0.005 0.000 0.744 1320 A CB 1.339 20.320 19.000 -0.033 0.000 1.239 1320 A HN 1.454 nan 8.150 nan 0.000 0.435 1321 G N -0.366 108.480 108.800 0.076 0.000 3.108 1321 G HA2 0.901 4.861 3.960 -0.000 0.000 0.268 1321 G HA3 0.901 4.861 3.960 -0.000 0.000 0.268 1321 G C -0.576 174.446 174.900 0.204 0.000 1.361 1321 G CA -0.226 44.931 45.100 0.094 0.000 1.047 1321 G HN 1.904 nan 8.290 nan 0.000 0.540 1322 A N -1.789 121.198 122.820 0.279 0.000 2.574 1322 A HA 0.919 5.239 4.320 -0.000 0.000 0.297 1322 A C -0.757 177.044 177.584 0.362 0.000 1.062 1322 A CA 0.067 52.323 52.037 0.365 0.000 0.686 1322 A CB 1.472 20.720 19.000 0.413 0.000 1.285 1322 A HN 2.235 nan 8.150 nan 0.000 0.403 1323 A N 0.997 124.005 122.820 0.313 0.000 2.455 1323 A HA 0.732 5.052 4.320 -0.000 0.000 0.300 1323 A C -1.676 176.065 177.584 0.261 0.000 1.040 1323 A CA -0.398 51.675 52.037 0.060 0.000 0.697 1323 A CB 1.201 19.971 19.000 -0.384 0.000 1.265 1323 A HN 1.186 nan 8.150 nan 0.000 0.407 1324 L N 1.604 122.926 121.223 0.166 0.000 2.331 1324 L HA 0.742 5.082 4.340 -0.000 0.000 0.275 1324 L C -1.205 175.795 176.870 0.218 0.000 1.022 1324 L CA -0.557 54.409 54.840 0.211 0.000 0.812 1324 L CB 1.391 43.560 42.059 0.184 0.000 1.257 1324 L HN 0.695 nan 8.230 nan 0.000 0.435 1325 Y N 3.123 123.460 120.300 0.061 0.000 2.401 1325 Y HA 0.327 4.877 4.550 0.000 0.000 0.330 1325 Y C -0.679 175.137 175.900 -0.141 0.000 1.071 1325 Y CA -1.166 56.887 58.100 -0.078 0.000 1.049 1325 Y CB 1.285 39.647 38.460 -0.164 0.000 1.239 1325 Y HN 0.607 nan 8.280 nan 0.000 0.437 1326 K N 6.729 126.690 120.400 -0.731 0.000 2.267 1326 K HA 0.314 4.634 4.320 -0.000 0.000 0.282 1326 K C -1.166 174.854 176.600 -0.966 0.000 1.078 1326 K CA -0.385 55.554 56.287 -0.580 0.000 0.903 1326 K CB 0.167 32.492 32.500 -0.292 0.000 1.111 1326 K HN 0.588 nan 8.250 nan 0.000 0.475 1327 F N 4.912 124.581 119.950 -0.468 0.000 2.590 1327 F HA -0.043 4.484 4.527 -0.000 0.000 0.389 1327 F C 1.185 176.899 175.800 -0.143 0.000 1.049 1327 F CA 0.296 58.139 58.000 -0.262 0.000 1.199 1327 F CB 0.418 39.391 39.000 -0.045 0.000 1.058 1327 F HN 0.485 nan 8.300 nan 0.000 0.556 1328 L N 1.736 123.040 121.223 0.135 0.000 2.642 1328 L HA 0.173 4.513 4.340 -0.000 0.000 0.233 1328 L C 0.291 177.233 176.870 0.119 0.000 1.077 1328 L CA 0.170 55.055 54.840 0.074 0.000 0.879 1328 L CB -0.033 42.046 42.059 0.033 0.000 1.151 1328 L HN 0.468 nan 8.230 nan 0.000 0.495 1329 Q N 0.945 120.908 119.800 0.272 0.000 2.375 1329 Q HA 0.454 4.794 4.340 -0.000 0.000 0.271 1329 Q C -2.463 173.797 176.000 0.432 0.000 1.074 1329 Q CA -1.824 54.103 55.803 0.206 0.000 0.808 1329 Q CB 2.686 31.445 28.738 0.034 0.000 1.327 1329 Q HN -0.131 nan 8.270 nan 0.000 0.441 1330 P HA 0.512 nan 4.420 nan 0.000 0.282 1330 P C 0.085 177.628 177.300 0.404 0.000 1.287 1330 P CA 0.265 63.590 63.100 0.374 0.000 0.792 1330 P CB 0.931 32.803 31.700 0.286 0.000 1.163 1331 G N -1.925 107.047 108.800 0.288 0.000 2.466 1331 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.316 1331 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.316 1331 G C -1.311 173.680 174.900 0.151 0.000 1.270 1331 G CA -0.476 44.717 45.100 0.155 0.000 0.982 1331 G HN 0.485 nan 8.290 nan 0.000 0.506 1332 V N 0.731 120.655 119.914 0.016 0.000 2.567 1332 V HA 0.701 4.821 4.120 -0.000 0.000 0.289 1332 V C -0.386 175.681 176.094 -0.045 0.000 1.049 1332 V CA -0.208 62.116 62.300 0.040 0.000 0.969 1332 V CB 1.174 32.947 31.823 -0.083 0.000 0.995 1332 V HN 0.651 nan 8.190 nan 0.000 0.471 1333 Y N 1.530 121.875 120.300 0.074 0.000 2.536 1333 Y HA 0.769 5.319 4.550 -0.000 0.000 0.347 1333 Y C 0.255 176.225 175.900 0.117 0.000 1.000 1333 Y CA -0.767 57.409 58.100 0.127 0.000 1.051 1333 Y CB 2.115 40.724 38.460 0.248 0.000 1.259 1333 Y HN 0.686 nan 8.280 nan 0.000 0.468 1334 A N 1.757 124.747 122.820 0.282 0.000 2.350 1334 A HA 0.658 4.978 4.320 -0.000 0.000 0.324 1334 A C -2.218 175.518 177.584 0.254 0.000 1.118 1334 A CA -0.672 51.558 52.037 0.322 0.000 0.783 1334 A CB 0.725 19.860 19.000 0.224 0.000 1.236 1334 A HN 0.739 nan 8.150 nan 0.000 0.457 1335 Y N 2.541 122.904 120.300 0.105 0.000 2.341 1335 Y HA 0.586 5.136 4.550 -0.000 0.000 0.338 1335 Y C -0.520 175.434 175.900 0.090 0.000 0.965 1335 Y CA -0.636 57.428 58.100 -0.059 0.000 1.108 1335 Y CB 1.693 40.035 38.460 -0.196 0.000 1.180 1335 Y HN 0.882 nan 8.280 nan 0.000 0.458 1336 V N 2.945 122.812 119.914 -0.078 0.000 3.114 1336 V HA 0.502 4.622 4.120 -0.000 0.000 0.308 1336 V C -1.109 175.026 176.094 0.068 0.000 1.168 1336 V CA -1.224 61.175 62.300 0.164 0.000 1.015 1336 V CB 1.879 33.720 31.823 0.030 0.000 1.050 1336 V HN 0.868 nan 8.190 nan 0.000 0.433 1337 N N 1.537 120.360 118.700 0.205 0.000 2.442 1337 N HA 0.114 4.854 4.740 -0.000 0.000 0.265 1337 N C 0.436 175.935 175.510 -0.019 0.000 1.138 1337 N CA 0.052 53.140 53.050 0.065 0.000 0.956 1337 N CB 0.422 38.948 38.487 0.065 0.000 1.067 1337 N HN 0.962 nan 8.380 nan 0.000 0.474 1338 H N 3.028 122.033 119.070 -0.109 0.000 2.572 1338 H HA -0.000 4.556 4.556 -0.000 0.000 0.278 1338 H C -0.311 174.953 175.328 -0.107 0.000 1.050 1338 H CA 0.212 56.183 56.048 -0.128 0.000 1.168 1338 H CB -0.188 29.446 29.762 -0.214 0.000 1.316 1338 H HN 0.638 nan 8.280 nan 0.000 0.610 1339 N N 0.643 119.339 118.700 -0.007 0.000 2.406 1339 N HA 0.029 4.769 4.740 -0.000 0.000 0.251 1339 N C 1.009 176.442 175.510 -0.128 0.000 1.069 1339 N CA -0.302 52.727 53.050 -0.035 0.000 0.947 1339 N CB 0.644 39.110 38.487 -0.035 0.000 1.111 1339 N HN 0.170 nan 8.380 nan 0.000 0.497 1340 L N 3.675 124.787 121.223 -0.185 0.000 2.275 1340 L HA -0.085 4.255 4.340 -0.000 0.000 0.215 1340 L C 1.755 178.487 176.870 -0.231 0.000 1.119 1340 L CA 0.644 55.336 54.840 -0.248 0.000 0.790 1340 L CB -0.152 41.758 42.059 -0.249 0.000 0.919 1340 L HN 0.748 nan 8.230 nan 0.000 0.443 1341 I N -0.434 119.985 120.570 -0.251 0.000 2.252 1341 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 1341 I C 2.307 178.274 176.117 -0.250 0.000 1.102 1341 I CA 1.239 62.311 61.300 -0.379 0.000 1.385 1341 I CB -0.204 37.591 38.000 -0.340 0.000 1.064 1341 I HN 0.247 nan 8.210 nan 0.000 0.414 1342 E N 0.964 121.059 120.200 -0.176 0.000 2.150 1342 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 1342 E C 2.317 178.818 176.600 -0.164 0.000 0.985 1342 E CA 1.125 57.435 56.400 -0.150 0.000 0.814 1342 E CB -0.105 29.525 29.700 -0.116 0.000 0.752 1342 E HN 0.513 nan 8.360 nan 0.000 0.466 1343 A N 0.667 123.391 122.820 -0.160 0.000 1.872 1343 A HA -0.086 4.234 4.320 -0.000 0.000 0.214 1343 A C 2.357 179.871 177.584 -0.117 0.000 1.187 1343 A CA 1.091 53.037 52.037 -0.151 0.000 0.614 1343 A CB -0.187 18.733 19.000 -0.133 0.000 0.826 1343 A HN 0.104 nan 8.150 nan 0.000 0.442 1344 V N -1.380 118.483 119.914 -0.085 0.000 2.521 1344 V HA -0.052 4.068 4.120 -0.000 0.000 0.239 1344 V C 2.117 178.268 176.094 0.094 0.000 1.053 1344 V CA 1.378 63.679 62.300 0.001 0.000 1.073 1344 V CB -0.936 30.908 31.823 0.036 0.000 0.746 1344 V HN 0.698 nan 8.190 nan 0.000 0.476 1345 H N -0.151 118.864 119.070 -0.091 0.000 2.436 1345 H HA 0.044 4.600 4.556 -0.000 0.000 0.294 1345 H C 1.837 177.092 175.328 -0.122 0.000 1.048 1345 H CA 0.732 56.726 56.048 -0.089 0.000 1.353 1345 H CB 0.420 30.133 29.762 -0.081 0.000 1.414 1345 H HN 0.205 nan 8.280 nan 0.000 0.536 1346 K N -0.427 119.951 120.400 -0.036 0.000 2.323 1346 K HA 0.128 4.448 4.320 -0.000 0.000 0.197 1346 K C 1.321 177.837 176.600 -0.139 0.000 1.043 1346 K CA 0.866 57.071 56.287 -0.136 0.000 0.997 1346 K CB 1.331 33.735 32.500 -0.161 0.000 0.807 1346 K HN 0.469 nan 8.250 nan 0.000 0.497 1347 G N 0.284 108.988 108.800 -0.160 0.000 2.370 1347 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.174 1347 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.174 1347 G C 0.168 174.835 174.900 -0.389 0.000 1.002 1347 G CA -0.079 44.901 45.100 -0.199 0.000 0.730 1347 G HN 0.280 nan 8.290 nan 0.000 0.497 1348 A N 1.395 123.923 122.820 -0.487 0.000 3.091 1348 A HA 0.685 5.005 4.320 -0.000 0.000 0.264 1348 A C 0.396 177.639 177.584 -0.567 0.000 1.673 1348 A CA 0.831 52.281 52.037 -0.978 0.000 1.362 1348 A CB -0.289 18.277 19.000 -0.723 0.000 1.137 1348 A HN 0.489 nan 8.150 nan 0.000 0.617 1349 T N 0.646 115.027 114.554 -0.288 0.000 2.916 1349 T HA 0.690 5.040 4.350 -0.000 0.000 0.298 1349 T C -0.303 174.560 174.700 0.272 0.000 1.031 1349 T CA 0.036 62.234 62.100 0.164 0.000 0.993 1349 T CB 1.744 70.635 68.868 0.039 0.000 1.045 1349 T HN 0.841 nan 8.240 nan 0.000 0.454 1350 A N 2.430 125.484 122.820 0.391 0.000 2.423 1350 A HA 0.844 5.164 4.320 -0.000 0.000 0.304 1350 A C -1.171 176.502 177.584 0.149 0.000 1.104 1350 A CA -0.733 51.388 52.037 0.141 0.000 0.757 1350 A CB 1.083 20.127 19.000 0.073 0.000 1.313 1350 A HN 0.970 nan 8.150 nan 0.000 0.423 1351 H N -1.009 118.117 119.070 0.095 0.000 2.616 1351 H HA 0.658 5.214 4.556 -0.000 0.000 0.353 1351 H C -1.110 174.269 175.328 0.085 0.000 1.170 1351 H CA -1.057 55.055 56.048 0.107 0.000 1.212 1351 H CB 2.144 31.954 29.762 0.081 0.000 1.653 1351 H HN 0.381 nan 8.280 nan 0.000 0.537 1352 V N 3.587 123.686 119.914 0.308 0.000 2.531 1352 V HA 0.197 4.317 4.120 -0.000 0.000 0.301 1352 V C -0.523 175.681 176.094 0.183 0.000 1.034 1352 V CA -0.674 61.741 62.300 0.190 0.000 0.865 1352 V CB 1.630 33.594 31.823 0.235 0.000 0.995 1352 V HN 0.469 nan 8.190 nan 0.000 0.424 1353 L N 5.588 126.869 121.223 0.097 0.000 2.272 1353 L HA 0.648 4.988 4.340 -0.000 0.000 0.289 1353 L C -0.636 176.253 176.870 0.032 0.000 1.032 1353 L CA -0.633 54.264 54.840 0.094 0.000 0.810 1353 L CB 1.594 43.698 42.059 0.075 0.000 1.205 1353 L HN 0.342 nan 8.230 nan 0.000 0.422 1354 V N 3.024 122.975 119.914 0.062 0.000 2.495 1354 V HA 0.342 4.462 4.120 -0.000 0.000 0.298 1354 V C -0.011 176.124 176.094 0.068 0.000 1.031 1354 V CA -0.755 61.531 62.300 -0.024 0.000 0.871 1354 V CB 2.022 33.798 31.823 -0.078 0.000 0.988 1354 V HN 0.716 nan 8.190 nan 0.000 0.432 1355 E N 1.920 122.146 120.200 0.043 0.000 2.280 1355 E HA 0.791 5.141 4.350 -0.000 0.000 0.264 1355 E C 0.345 177.000 176.600 0.092 0.000 1.064 1355 E CA 0.146 56.591 56.400 0.075 0.000 0.900 1355 E CB 1.895 31.628 29.700 0.055 0.000 1.123 1355 E HN 1.060 nan 8.360 nan 0.000 0.418 1356 G N 0.905 109.767 108.800 0.103 0.000 2.359 1356 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.303 1356 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.303 1356 G C -1.470 173.512 174.900 0.137 0.000 1.293 1356 G CA -0.978 44.186 45.100 0.108 0.000 0.964 1356 G HN 0.429 nan 8.290 nan 0.000 0.531 1357 E N -0.404 119.875 120.200 0.132 0.000 2.242 1357 E HA 0.535 4.885 4.350 -0.000 0.000 0.275 1357 E C -0.200 176.523 176.600 0.204 0.000 1.002 1357 E CA -0.800 55.696 56.400 0.159 0.000 0.841 1357 E CB 1.007 30.770 29.700 0.106 0.000 1.109 1357 E HN 0.575 nan 8.360 nan 0.000 0.394 1358 W N 3.746 125.083 121.300 0.062 0.000 2.251 1358 W HA 0.244 4.904 4.660 -0.000 0.000 0.329 1358 W C -0.722 175.835 176.519 0.063 0.000 1.234 1358 W CA -0.266 57.119 57.345 0.067 0.000 1.228 1358 W CB 1.225 30.716 29.460 0.052 0.000 1.135 1358 W HN 0.469 nan 8.180 nan 0.000 0.576 1359 D N 4.050 124.003 120.400 -0.746 0.000 2.461 1359 D HA 0.105 4.745 4.640 -0.000 0.000 0.240 1359 D C 0.526 176.545 176.300 -0.470 0.000 1.094 1359 D CA -0.213 53.552 54.000 -0.393 0.000 0.868 1359 D CB 0.448 41.070 40.800 -0.296 0.000 1.062 1359 D HN 0.274 nan 8.370 nan 0.000 0.530 1360 N N 2.667 121.329 118.700 -0.063 0.000 2.512 1360 N HA -0.128 4.611 4.740 -0.000 0.000 0.183 1360 N C 0.866 176.413 175.510 0.061 0.000 1.073 1360 N CA 0.407 53.555 53.050 0.163 0.000 0.911 1360 N CB 0.292 38.925 38.487 0.244 0.000 0.964 1360 N HN 0.555 nan 8.380 nan 0.000 0.447 1361 D N 0.643 121.038 120.400 -0.008 0.000 2.183 1361 D HA 0.002 4.642 4.640 -0.000 0.000 0.203 1361 D C 2.064 178.353 176.300 -0.019 0.000 0.969 1361 D CA 0.508 54.509 54.000 0.001 0.000 0.842 1361 D CB 0.104 40.896 40.800 -0.012 0.000 0.957 1361 D HN 0.133 nan 8.370 nan 0.000 0.484 1362 L N -0.959 120.215 121.223 -0.082 0.000 2.093 1362 L HA 0.079 4.419 4.340 -0.000 0.000 0.208 1362 L C 1.122 177.981 176.870 -0.018 0.000 1.085 1362 L CA 0.530 55.326 54.840 -0.073 0.000 0.755 1362 L CB -0.068 41.895 42.059 -0.161 0.000 0.904 1362 L HN 0.179 nan 8.230 nan 0.000 0.435 1363 M N -0.788 118.814 119.600 0.003 0.000 2.333 1363 M HA 0.283 4.763 4.480 -0.000 0.000 0.286 1363 M C -1.858 174.696 176.300 0.423 0.000 1.113 1363 M CA -0.367 55.048 55.300 0.192 0.000 0.959 1363 M CB 2.298 35.074 32.600 0.294 0.000 1.776 1363 M HN -0.147 nan 8.290 nan 0.000 0.492 1364 E N 2.610 122.988 120.200 0.296 0.000 2.290 1364 E HA 0.226 4.576 4.350 -0.000 0.000 0.274 1364 E C -1.607 175.078 176.600 0.142 0.000 0.889 1364 E CA -0.452 56.103 56.400 0.258 0.000 0.760 1364 E CB 2.316 32.125 29.700 0.180 0.000 1.206 1364 E HN 0.739 nan 8.360 nan 0.000 0.419 1365 Q N 4.706 124.555 119.800 0.081 0.000 2.513 1365 Q HA 0.096 4.436 4.340 -0.000 0.000 0.227 1365 Q C 0.373 176.389 176.000 0.028 0.000 1.257 1365 Q CA -0.169 55.650 55.803 0.027 0.000 0.915 1365 Q CB 0.515 29.238 28.738 -0.025 0.000 1.507 1365 Q HN 0.603 nan 8.270 nan 0.000 0.543 1366 V N 3.329 123.267 119.914 0.039 0.000 2.332 1366 V HA -0.150 3.970 4.120 -0.000 0.000 0.248 1366 V C 0.633 176.738 176.094 0.018 0.000 1.055 1366 V CA 1.224 63.545 62.300 0.034 0.000 1.038 1366 V CB 0.187 32.031 31.823 0.035 0.000 0.651 1366 V HN 0.510 nan 8.190 nan 0.000 0.450 1367 V N -0.374 119.547 119.914 0.012 0.000 2.569 1367 V HA 0.737 4.857 4.120 -0.000 0.000 0.301 1367 V C 0.085 176.179 176.094 -0.001 0.000 1.044 1367 V CA -0.681 61.622 62.300 0.005 0.000 0.874 1367 V CB 1.207 33.034 31.823 0.007 0.000 1.002 1367 V HN 0.305 nan 8.190 nan 0.000 0.424 1368 A N 6.599 129.414 122.820 -0.009 0.000 2.386 1368 A HA 0.634 4.954 4.320 -0.000 0.000 0.246 1368 A C -2.173 175.404 177.584 -0.012 0.000 1.089 1368 A CA -0.841 51.187 52.037 -0.016 0.000 0.790 1368 A CB -0.467 18.520 19.000 -0.022 0.000 1.042 1368 A HN 0.694 nan 8.150 nan 0.000 0.497 1369 P HA 0.261 nan 4.420 nan 0.000 0.264 1369 P C -0.650 176.645 177.300 -0.009 0.000 1.183 1369 P CA 0.386 63.480 63.100 -0.010 0.000 0.763 1369 P CB 0.498 32.191 31.700 -0.013 0.000 0.807 1370 V N 2.370 122.280 119.914 -0.006 0.000 3.120 1370 V HA 0.665 4.785 4.120 -0.000 0.000 0.303 1370 V C -0.079 176.013 176.094 -0.004 0.000 1.238 1370 V CA -0.568 61.729 62.300 -0.005 0.000 1.008 1370 V CB 2.243 34.064 31.823 -0.003 0.000 1.064 1370 V HN 0.705 nan 8.190 nan 0.000 0.434 1371 G N 3.954 112.751 108.800 -0.003 0.000 2.414 1371 G HA2 0.394 4.354 3.960 -0.000 0.000 0.236 1371 G HA3 0.394 4.354 3.960 -0.000 0.000 0.236 1371 G C -0.029 174.870 174.900 -0.002 0.000 1.293 1371 G CA -0.230 44.868 45.100 -0.003 0.000 0.869 1371 G HN 0.864 nan 8.290 nan 0.000 0.556 1372 L N 0.000 121.222 121.223 -0.001 0.000 2.949 1372 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 1372 L CA 0.000 54.840 54.840 -0.001 0.000 0.813 1372 L CB 0.000 42.059 42.059 -0.001 0.000 0.961 1372 L HN 0.000 nan 8.230 nan 0.000 0.502