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 2c0g_1_A DATA FIRST_RESID 1024 DATA SEQUENCE CTGCVDLDEL SFEKTVERFP YSVVKFDIAS PYGEKHEAFT AFSKSAHKAT DATA SEQUENCE KDLLIATVGV KDYGELENKA LGDRYKVDDK NFPSIFLFKG NADEYVQLPS DATA SEQUENCE HVDVTLDNLK AFVSANTPLY IGRDGCIKEF NEVLKNYANI PDAEQLKLIE DATA SEQUENCE KLQAKQEQLT DPEQQQNARA YLIYMRKIHE VGYDFLEEET KRLLRLKAGK DATA SEQUENCE VTEAKKEELL RKLNILEVFR VHKVTKTA 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 1024 C HA 0.000 nan 4.460 nan 0.000 0.325 1024 C C 0.000 175.026 174.990 0.060 0.000 1.270 1024 C CA 0.000 59.085 59.018 0.112 0.000 1.963 1024 C CB 0.000 27.753 27.740 0.022 0.000 2.134 1025 T N 1.504 116.071 114.554 0.021 0.000 2.853 1025 T HA 0.456 4.806 4.350 0.001 0.000 0.298 1025 T C 1.431 176.107 174.700 -0.040 0.000 0.978 1025 T CA 1.715 63.806 62.100 -0.016 0.000 1.152 1025 T CB 0.328 69.179 68.868 -0.029 0.000 0.914 1025 T HN 2.571 nan 8.240 nan 0.000 0.539 1026 G N 1.922 110.668 108.800 -0.091 0.000 2.234 1026 G HA2 -0.293 3.667 3.960 0.001 0.000 0.260 1026 G HA3 -0.293 3.667 3.960 0.001 0.000 0.260 1026 G C 0.437 175.379 174.900 0.070 0.000 0.987 1026 G CA -0.024 44.984 45.100 -0.154 0.000 0.625 1026 G HN 0.847 nan 8.290 nan 0.000 0.532 1027 C N 1.490 120.832 119.300 0.071 0.000 2.415 1027 C HA 0.611 5.071 4.460 0.001 0.000 0.369 1027 C C 0.982 176.022 174.990 0.083 0.000 1.279 1027 C CA -0.784 58.308 59.018 0.124 0.000 1.886 1027 C CB 0.771 28.635 27.740 0.206 0.000 2.468 1027 C HN 0.360 nan 8.230 nan 0.000 0.553 1028 V N 3.684 123.633 119.914 0.058 0.000 2.385 1028 V HA 0.149 4.269 4.120 0.001 0.000 0.269 1028 V C 0.103 176.208 176.094 0.019 0.000 1.043 1028 V CA 0.144 62.456 62.300 0.019 0.000 0.906 1028 V CB 1.148 32.956 31.823 -0.027 0.000 0.995 1028 V HN 0.860 nan 8.190 nan 0.000 0.467 1029 D N 4.838 125.249 120.400 0.017 0.000 2.295 1029 D HA 0.486 5.127 4.640 0.001 0.000 0.248 1029 D C -0.423 175.874 176.300 -0.005 0.000 1.154 1029 D CA -0.009 53.992 54.000 0.002 0.000 0.857 1029 D CB 0.735 41.537 40.800 0.003 0.000 1.117 1029 D HN 0.391 nan 8.370 nan 0.000 0.468 1030 L N 2.873 124.090 121.223 -0.009 0.000 2.313 1030 L HA 0.583 4.923 4.340 0.001 0.000 0.268 1030 L C -0.084 176.803 176.870 0.028 0.000 1.010 1030 L CA -0.927 53.933 54.840 0.033 0.000 0.814 1030 L CB 1.640 43.761 42.059 0.104 0.000 1.304 1030 L HN 0.536 nan 8.230 nan 0.000 0.441 1031 D N -1.951 118.486 120.400 0.061 0.000 2.798 1031 D HA 0.162 4.802 4.640 0.001 0.000 0.308 1031 D C 0.274 176.615 176.300 0.068 0.000 1.187 1031 D CA -0.655 53.365 54.000 0.034 0.000 1.033 1031 D CB 0.622 41.431 40.800 0.015 0.000 1.445 1031 D HN 0.447 nan 8.370 nan 0.000 0.550 1032 E N -0.768 119.454 120.200 0.036 0.000 2.160 1032 E HA -0.092 4.258 4.350 0.001 0.000 0.195 1032 E C 1.743 178.386 176.600 0.071 0.000 0.991 1032 E CA 0.955 57.382 56.400 0.044 0.000 0.810 1032 E CB -0.050 29.662 29.700 0.020 0.000 0.742 1032 E HN 0.363 nan 8.360 nan 0.000 0.466 1033 L N 0.112 121.370 121.223 0.059 0.000 2.202 1033 L HA -0.040 4.301 4.340 0.001 0.000 0.205 1033 L C 2.514 179.420 176.870 0.060 0.000 1.083 1033 L CA 1.034 55.905 54.840 0.052 0.000 0.790 1033 L CB -0.150 41.929 42.059 0.033 0.000 0.942 1033 L HN 0.162 nan 8.230 nan 0.000 0.452 1034 S N -1.155 114.586 115.700 0.069 0.000 2.503 1034 S HA -0.064 4.407 4.470 0.001 0.000 0.215 1034 S C 1.791 176.424 174.600 0.055 0.000 1.003 1034 S CA -0.225 58.006 58.200 0.051 0.000 0.910 1034 S CB -0.394 62.828 63.200 0.036 0.000 0.790 1034 S HN 0.302 nan 8.310 nan 0.000 0.514 1035 F N 2.946 122.869 119.950 -0.044 0.000 2.026 1035 F HA -0.039 4.489 4.527 0.001 0.000 0.296 1035 F C 2.512 178.257 175.800 -0.091 0.000 1.133 1035 F CA 2.200 60.149 58.000 -0.084 0.000 1.188 1035 F CB -0.518 38.436 39.000 -0.077 0.000 0.968 1035 F HN 0.314 nan 8.300 nan 0.000 0.476 1036 E N 0.174 120.406 120.200 0.053 0.000 2.072 1036 E HA -0.224 4.127 4.350 0.001 0.000 0.191 1036 E C 2.209 178.733 176.600 -0.128 0.000 0.985 1036 E CA 1.271 57.633 56.400 -0.063 0.000 0.801 1036 E CB -0.153 29.621 29.700 0.125 0.000 0.750 1036 E HN 0.419 nan 8.360 nan 0.000 0.452 1037 K N -0.408 119.960 120.400 -0.053 0.000 2.147 1037 K HA -0.092 4.229 4.320 0.001 0.000 0.205 1037 K C 2.087 178.652 176.600 -0.057 0.000 1.049 1037 K CA 1.633 57.895 56.287 -0.041 0.000 0.936 1037 K CB 0.027 32.520 32.500 -0.011 0.000 0.722 1037 K HN 0.166 nan 8.250 nan 0.000 0.446 1038 T N 0.580 115.078 114.554 -0.093 0.000 2.852 1038 T HA -0.050 4.300 4.350 0.001 0.000 0.256 1038 T C 2.007 176.697 174.700 -0.016 0.000 1.038 1038 T CA 0.669 62.756 62.100 -0.022 0.000 1.141 1038 T CB -0.101 68.747 68.868 -0.033 0.000 0.869 1038 T HN -0.094 nan 8.240 nan 0.000 0.439 1039 V N 2.931 122.670 119.914 -0.291 0.000 2.324 1039 V HA -0.230 3.890 4.120 0.001 0.000 0.250 1039 V C 2.554 178.582 176.094 -0.111 0.000 1.060 1039 V CA 2.212 64.311 62.300 -0.334 0.000 1.042 1039 V CB -0.815 30.488 31.823 -0.867 0.000 0.650 1039 V HN 0.737 nan 8.190 nan 0.000 0.450 1040 E N -0.178 119.956 120.200 -0.109 0.000 2.516 1040 E HA -0.145 4.205 4.350 0.001 0.000 0.199 1040 E C 1.789 178.369 176.600 -0.034 0.000 1.069 1040 E CA 0.436 56.808 56.400 -0.046 0.000 0.876 1040 E CB -0.070 29.609 29.700 -0.035 0.000 0.843 1040 E HN 0.453 nan 8.360 nan 0.000 0.530 1041 R N -0.093 120.398 120.500 -0.014 0.000 2.365 1041 R HA 0.244 4.584 4.340 0.001 0.000 0.223 1041 R C -0.395 175.758 176.300 -0.246 0.000 0.899 1041 R CA 0.083 56.110 56.100 -0.122 0.000 1.059 1041 R CB 0.308 30.510 30.300 -0.164 0.000 1.086 1041 R HN 0.124 nan 8.270 nan 0.000 0.522 1042 F N 0.468 120.363 119.950 -0.092 0.000 2.480 1042 F HA 0.325 4.853 4.527 0.001 0.000 0.329 1042 F C -1.279 174.434 175.800 -0.145 0.000 1.091 1042 F CA -2.504 55.447 58.000 -0.082 0.000 0.972 1042 F CB 1.756 40.725 39.000 -0.051 0.000 1.150 1042 F HN -0.239 nan 8.300 nan 0.000 0.467 1043 P HA -0.157 nan 4.420 nan 0.000 0.216 1043 P C -1.075 175.730 177.300 -0.825 0.000 1.150 1043 P CA 1.822 64.703 63.100 -0.365 0.000 0.843 1043 P CB 0.088 31.665 31.700 -0.204 0.000 0.787 1044 Y N -3.133 117.264 120.300 0.161 0.000 2.571 1044 Y HA 0.527 5.078 4.550 0.001 0.000 0.341 1044 Y C -0.144 175.829 175.900 0.122 0.000 1.076 1044 Y CA -0.839 57.342 58.100 0.134 0.000 1.029 1044 Y CB 1.655 40.164 38.460 0.082 0.000 1.308 1044 Y HN -0.422 nan 8.280 nan 0.000 0.461 1045 S N 0.971 116.855 115.700 0.307 0.000 2.548 1045 S HA 0.697 5.168 4.470 0.001 0.000 0.276 1045 S C -1.500 173.306 174.600 0.344 0.000 1.129 1045 S CA -0.800 57.522 58.200 0.202 0.000 0.931 1045 S CB 2.001 65.268 63.200 0.111 0.000 1.068 1045 S HN 0.322 nan 8.310 nan 0.000 0.480 1046 V N 3.009 123.117 119.914 0.323 0.000 2.409 1046 V HA 0.545 4.666 4.120 0.001 0.000 0.291 1046 V C -0.717 175.697 176.094 0.534 0.000 1.020 1046 V CA -0.541 62.047 62.300 0.480 0.000 0.848 1046 V CB 1.626 33.779 31.823 0.551 0.000 0.990 1046 V HN 0.711 nan 8.190 nan 0.000 0.430 1047 V N 5.087 125.336 119.914 0.558 0.000 2.444 1047 V HA 0.440 4.561 4.120 0.001 0.000 0.294 1047 V C -0.074 176.174 176.094 0.256 0.000 1.022 1047 V CA -0.959 61.568 62.300 0.378 0.000 0.850 1047 V CB 1.745 33.792 31.823 0.373 0.000 0.992 1047 V HN 0.844 nan 8.190 nan 0.000 0.426 1048 K N 4.746 125.063 120.400 -0.139 0.000 2.253 1048 K HA 0.514 4.835 4.320 0.001 0.000 0.277 1048 K C -1.157 175.314 176.600 -0.215 0.000 1.053 1048 K CA -0.359 55.734 56.287 -0.323 0.000 0.892 1048 K CB 0.507 32.324 32.500 -1.137 0.000 1.102 1048 K HN 0.484 nan 8.250 nan 0.000 0.469 1049 F N 3.395 123.330 119.950 -0.024 0.000 2.411 1049 F HA 0.267 4.794 4.527 0.001 0.000 0.350 1049 F C 0.633 176.289 175.800 -0.240 0.000 1.114 1049 F CA -0.025 57.938 58.000 -0.061 0.000 1.135 1049 F CB 1.105 40.184 39.000 0.131 0.000 1.120 1049 F HN 0.621 nan 8.300 nan 0.000 0.495 1050 D N 1.985 122.115 120.400 -0.450 0.000 2.768 1050 D HA 0.325 4.965 4.640 0.001 0.000 0.327 1050 D C -0.637 175.057 176.300 -1.009 0.000 1.302 1050 D CA -0.605 52.899 54.000 -0.826 0.000 0.897 1050 D CB 1.604 42.182 40.800 -0.369 0.000 1.420 1050 D HN 0.372 nan 8.370 nan 0.000 0.494 1051 I N -0.410 119.684 120.570 -0.795 0.000 2.993 1051 I HA 0.495 4.666 4.170 0.001 0.000 0.286 1051 I C 0.536 176.485 176.117 -0.280 0.000 1.215 1051 I CA -0.670 60.376 61.300 -0.423 0.000 1.393 1051 I CB 0.385 38.272 38.000 -0.189 0.000 1.371 1051 I HN 0.304 nan 8.210 nan 0.000 0.602 1052 A N 3.663 126.382 122.820 -0.169 0.000 2.425 1052 A HA 0.365 4.685 4.320 0.001 0.000 0.242 1052 A C 0.870 178.400 177.584 -0.090 0.000 1.077 1052 A CA 0.231 52.198 52.037 -0.118 0.000 0.781 1052 A CB -0.244 18.714 19.000 -0.071 0.000 1.020 1052 A HN 1.216 nan 8.150 nan 0.000 0.494 1053 S N 0.637 116.288 115.700 -0.082 0.000 3.524 1053 S HA -0.108 4.363 4.470 0.001 0.000 0.377 1053 S C -1.907 172.653 174.600 -0.068 0.000 0.949 1053 S CA 0.641 58.806 58.200 -0.060 0.000 1.264 1053 S CB -1.996 61.198 63.200 -0.011 0.000 0.918 1053 S HN 0.845 nan 8.310 nan 0.000 0.517 1054 P HA 0.569 nan 4.420 nan 0.000 0.274 1054 P C -0.304 176.800 177.300 -0.328 0.000 1.256 1054 P CA -0.239 62.633 63.100 -0.380 0.000 0.795 1054 P CB 0.369 31.722 31.700 -0.579 0.000 1.038 1055 Y N -3.990 116.162 120.300 -0.247 0.000 2.677 1055 Y HA 0.639 5.190 4.550 0.001 0.000 0.334 1055 Y C -0.192 175.736 175.900 0.046 0.000 1.196 1055 Y CA -0.604 57.456 58.100 -0.067 0.000 1.059 1055 Y CB 0.525 38.961 38.460 -0.040 0.000 1.315 1055 Y HN 0.959 nan 8.280 nan 0.000 0.455 1056 G N 0.647 109.592 108.800 0.242 0.000 2.498 1056 G HA2 -0.148 3.813 3.960 0.001 0.000 0.651 1056 G HA3 -0.148 3.813 3.960 0.001 0.000 0.651 1056 G C 0.143 175.120 174.900 0.129 0.000 1.284 1056 G CA 0.004 45.194 45.100 0.149 0.000 0.950 1056 G HN 1.168 nan 8.290 nan 0.000 0.511 1057 E N -0.002 120.250 120.200 0.087 0.000 2.058 1057 E HA -0.140 4.210 4.350 0.001 0.000 0.194 1057 E C 2.367 179.014 176.600 0.078 0.000 0.997 1057 E CA 1.805 58.249 56.400 0.075 0.000 0.801 1057 E CB -0.159 29.572 29.700 0.051 0.000 0.746 1057 E HN 0.516 nan 8.360 nan 0.000 0.450 1058 K N -0.864 119.576 120.400 0.067 0.000 2.097 1058 K HA -0.184 4.136 4.320 0.001 0.000 0.205 1058 K C 2.270 178.952 176.600 0.137 0.000 1.050 1058 K CA 1.410 57.742 56.287 0.074 0.000 0.938 1058 K CB -0.311 32.211 32.500 0.036 0.000 0.718 1058 K HN 0.249 nan 8.250 nan 0.000 0.442 1059 H N 1.500 120.599 119.070 0.049 0.000 2.353 1059 H HA -0.095 4.461 4.556 0.001 0.000 0.300 1059 H C 1.943 177.366 175.328 0.158 0.000 1.090 1059 H CA 1.841 57.947 56.048 0.096 0.000 1.327 1059 H CB 0.165 29.952 29.762 0.041 0.000 1.383 1059 H HN 0.042 nan 8.280 nan 0.000 0.508 1060 E N -0.322 119.939 120.200 0.103 0.000 2.110 1060 E HA -0.123 4.227 4.350 0.001 0.000 0.193 1060 E C 2.518 179.141 176.600 0.039 0.000 0.988 1060 E CA 0.740 57.169 56.400 0.049 0.000 0.804 1060 E CB -0.817 28.934 29.700 0.085 0.000 0.745 1060 E HN 0.726 nan 8.360 nan 0.000 0.458 1061 A N 0.023 122.886 122.820 0.071 0.000 1.902 1061 A HA -0.099 4.221 4.320 0.001 0.000 0.217 1061 A C 2.004 179.658 177.584 0.116 0.000 1.181 1061 A CA 1.559 53.643 52.037 0.077 0.000 0.623 1061 A CB -0.715 18.326 19.000 0.069 0.000 0.818 1061 A HN 0.443 nan 8.150 nan 0.000 0.443 1062 F N 1.218 121.157 119.950 -0.018 0.000 2.186 1062 F HA -0.112 4.415 4.527 0.001 0.000 0.299 1062 F C 2.513 178.340 175.800 0.044 0.000 1.090 1062 F CA 2.033 60.059 58.000 0.043 0.000 1.307 1062 F CB -0.447 38.549 39.000 -0.006 0.000 1.019 1062 F HN 0.203 nan 8.300 nan 0.000 0.489 1063 T N 0.106 114.648 114.554 -0.021 0.000 2.746 1063 T HA -0.185 4.166 4.350 0.001 0.000 0.267 1063 T C 2.219 176.883 174.700 -0.060 0.000 1.039 1063 T CA 1.378 63.431 62.100 -0.079 0.000 1.142 1063 T CB -0.711 68.098 68.868 -0.097 0.000 0.866 1063 T HN 0.335 nan 8.240 nan 0.000 0.444 1064 A N 0.995 123.805 122.820 -0.017 0.000 1.930 1064 A HA -0.005 4.315 4.320 0.001 0.000 0.217 1064 A C 1.997 179.570 177.584 -0.020 0.000 1.175 1064 A CA 1.248 53.281 52.037 -0.008 0.000 0.627 1064 A CB -0.904 18.109 19.000 0.021 0.000 0.815 1064 A HN 0.489 nan 8.150 nan 0.000 0.443 1065 F N 1.006 120.842 119.950 -0.189 0.000 2.134 1065 F HA -0.135 4.393 4.527 0.001 0.000 0.299 1065 F C 2.624 178.252 175.800 -0.287 0.000 1.097 1065 F CA 1.652 59.501 58.000 -0.253 0.000 1.264 1065 F CB -0.665 38.119 39.000 -0.359 0.000 1.001 1065 F HN 0.231 nan 8.300 nan 0.000 0.479 1066 S N -0.037 115.362 115.700 -0.501 0.000 2.359 1066 S HA -0.245 4.225 4.470 0.001 0.000 0.224 1066 S C 2.143 176.599 174.600 -0.240 0.000 1.035 1066 S CA 1.813 59.730 58.200 -0.472 0.000 1.018 1066 S CB -0.345 62.738 63.200 -0.195 0.000 0.876 1066 S HN 0.406 nan 8.310 nan 0.000 0.448 1067 K N 1.032 121.348 120.400 -0.141 0.000 2.032 1067 K HA -0.028 4.292 4.320 0.001 0.000 0.209 1067 K C 2.566 179.101 176.600 -0.109 0.000 1.048 1067 K CA 1.535 57.778 56.287 -0.072 0.000 0.927 1067 K CB -0.712 31.753 32.500 -0.058 0.000 0.712 1067 K HN 0.332 nan 8.250 nan 0.000 0.441 1068 S N -0.150 115.447 115.700 -0.171 0.000 2.356 1068 S HA -0.149 4.321 4.470 0.001 0.000 0.223 1068 S C 2.005 176.454 174.600 -0.251 0.000 1.032 1068 S CA 1.329 59.427 58.200 -0.171 0.000 1.005 1068 S CB -0.355 62.761 63.200 -0.140 0.000 0.867 1068 S HN 0.381 nan 8.310 nan 0.000 0.449 1069 A N 0.271 122.813 122.820 -0.464 0.000 1.902 1069 A HA -0.096 4.225 4.320 0.001 0.000 0.217 1069 A C 1.815 179.163 177.584 -0.394 0.000 1.181 1069 A CA 1.933 53.642 52.037 -0.547 0.000 0.623 1069 A CB -1.175 17.249 19.000 -0.961 0.000 0.818 1069 A HN 0.757 nan 8.150 nan 0.000 0.443 1070 H N -0.372 118.543 119.070 -0.259 0.000 2.387 1070 H HA -0.053 4.504 4.556 0.001 0.000 0.299 1070 H C 2.037 177.298 175.328 -0.112 0.000 1.090 1070 H CA 1.807 57.758 56.048 -0.161 0.000 1.332 1070 H CB 0.027 29.701 29.762 -0.146 0.000 1.386 1070 H HN 0.448 nan 8.280 nan 0.000 0.516 1071 K N -0.150 120.247 120.400 -0.005 0.000 2.147 1071 K HA -0.078 4.243 4.320 0.001 0.000 0.205 1071 K C 2.147 178.722 176.600 -0.042 0.000 1.049 1071 K CA 1.018 57.289 56.287 -0.026 0.000 0.936 1071 K CB 0.123 32.596 32.500 -0.045 0.000 0.722 1071 K HN 0.273 nan 8.250 nan 0.000 0.446 1072 A N 0.180 122.952 122.820 -0.080 0.000 1.997 1072 A HA 0.036 4.356 4.320 0.001 0.000 0.212 1072 A C 1.100 178.656 177.584 -0.046 0.000 1.178 1072 A CA 0.765 52.755 52.037 -0.078 0.000 0.698 1072 A CB 0.495 19.408 19.000 -0.145 0.000 0.842 1072 A HN 0.217 nan 8.150 nan 0.000 0.458 1073 T N -3.258 111.262 114.554 -0.056 0.000 2.843 1073 T HA 0.546 4.897 4.350 0.001 0.000 0.302 1073 T C -0.064 174.641 174.700 0.008 0.000 1.232 1073 T CA 0.429 62.519 62.100 -0.017 0.000 1.009 1073 T CB 1.767 70.622 68.868 -0.022 0.000 1.254 1073 T HN 0.280 nan 8.240 nan 0.000 0.504 1074 K N 0.725 121.156 120.400 0.051 0.000 2.413 1074 K HA 0.321 4.641 4.320 0.001 0.000 0.204 1074 K C 0.557 177.243 176.600 0.142 0.000 1.041 1074 K CA 0.218 56.562 56.287 0.095 0.000 1.082 1074 K CB 0.076 nan 32.500 nan 0.000 0.871 1074 K HN 0.632 nan 8.250 nan 0.000 0.535 1075 D N -0.114 120.368 120.400 0.137 0.000 2.340 1075 D HA 0.158 4.798 4.640 0.001 0.000 0.217 1075 D C -0.584 175.881 176.300 0.274 0.000 1.081 1075 D CA 0.006 54.132 54.000 0.209 0.000 0.842 1075 D CB 0.550 41.472 40.800 0.204 0.000 0.934 1075 D HN 0.326 nan 8.370 nan 0.000 0.511 1076 L N 1.362 122.678 121.223 0.154 0.000 2.343 1076 L HA 0.359 4.699 4.340 0.001 0.000 0.278 1076 L C -1.085 175.694 176.870 -0.151 0.000 0.996 1076 L CA -1.053 53.822 54.840 0.058 0.000 0.831 1076 L CB 1.514 43.551 42.059 -0.038 0.000 1.232 1076 L HN -0.207 nan 8.230 nan 0.000 0.413 1077 L N 6.254 127.281 121.223 -0.326 0.000 2.410 1077 L HA 0.452 4.793 4.340 0.001 0.000 0.273 1077 L C -0.834 175.879 176.870 -0.263 0.000 1.144 1077 L CA 0.621 55.075 54.840 -0.643 0.000 0.863 1077 L CB 0.371 41.787 42.059 -1.071 0.000 1.140 1077 L HN 0.566 nan 8.230 nan 0.000 0.463 1078 I N 6.061 126.499 120.570 -0.220 0.000 2.355 1078 I HA 0.703 4.874 4.170 0.001 0.000 0.288 1078 I C 0.056 176.219 176.117 0.077 0.000 0.999 1078 I CA 0.134 61.407 61.300 -0.046 0.000 1.163 1078 I CB 1.355 39.218 38.000 -0.227 0.000 1.316 1078 I HN 0.782 nan 8.210 nan 0.000 0.454 1079 A N 3.922 126.865 122.820 0.205 0.000 2.479 1079 A HA 0.980 5.301 4.320 0.001 0.000 0.296 1079 A C -0.452 177.225 177.584 0.155 0.000 1.121 1079 A CA -0.548 51.565 52.037 0.126 0.000 0.743 1079 A CB 1.667 20.662 19.000 -0.009 0.000 1.323 1079 A HN 0.600 nan 8.150 nan 0.000 0.415 1080 T N -1.890 112.679 114.554 0.025 0.000 2.900 1080 T HA 0.710 5.060 4.350 0.001 0.000 0.295 1080 T C -1.067 173.510 174.700 -0.206 0.000 1.044 1080 T CA -0.675 61.364 62.100 -0.101 0.000 0.995 1080 T CB 1.389 70.244 68.868 -0.021 0.000 1.072 1080 T HN 0.912 nan 8.240 nan 0.000 0.473 1081 V N 1.273 120.953 119.914 -0.390 0.000 2.531 1081 V HA 0.772 4.892 4.120 0.001 0.000 0.301 1081 V C 0.509 176.429 176.094 -0.290 0.000 1.034 1081 V CA -0.718 61.345 62.300 -0.395 0.000 0.865 1081 V CB 1.833 33.181 31.823 -0.792 0.000 0.995 1081 V HN 1.288 nan 8.190 nan 0.000 0.424 1082 G N 3.434 112.119 108.800 -0.191 0.000 2.384 1082 G HA2 0.569 4.529 3.960 0.001 0.000 0.316 1082 G HA3 0.569 4.529 3.960 0.001 0.000 0.316 1082 G C -0.796 174.025 174.900 -0.133 0.000 1.160 1082 G CA -0.403 44.584 45.100 -0.190 0.000 0.936 1082 G HN 0.537 nan 8.290 nan 0.000 0.455 1083 V N 2.817 122.641 119.914 -0.151 0.000 2.406 1083 V HA 0.340 4.460 4.120 0.001 0.000 0.272 1083 V C 0.352 176.428 176.094 -0.029 0.000 1.043 1083 V CA -0.849 61.431 62.300 -0.033 0.000 0.915 1083 V CB 0.831 32.708 31.823 0.091 0.000 0.988 1083 V HN 0.773 nan 8.190 nan 0.000 0.466 1084 K N 1.003 121.403 120.400 -0.000 0.000 2.110 1084 K HA 0.635 4.956 4.320 0.001 0.000 0.263 1084 K C 0.520 177.140 176.600 0.032 0.000 0.975 1084 K CA -0.051 56.239 56.287 0.005 0.000 0.895 1084 K CB 1.014 33.513 32.500 -0.003 0.000 1.060 1084 K HN 0.810 nan 8.250 nan 0.000 0.448 1085 D N -1.754 118.668 120.400 0.037 0.000 2.339 1085 D HA 0.197 4.837 4.640 0.001 0.000 0.217 1085 D C 0.598 176.915 176.300 0.028 0.000 1.050 1085 D CA 0.666 54.692 54.000 0.044 0.000 0.856 1085 D CB -0.446 40.385 40.800 0.052 0.000 0.922 1085 D HN 0.838 nan 8.370 nan 0.000 0.518 1086 Y N -1.539 118.773 120.300 0.020 0.000 2.496 1086 Y HA 0.647 5.198 4.550 0.001 0.000 0.331 1086 Y C 1.791 177.698 175.900 0.011 0.000 1.140 1086 Y CA -1.177 56.931 58.100 0.014 0.000 1.166 1086 Y CB 0.856 39.322 38.460 0.010 0.000 1.249 1086 Y HN 0.834 nan 8.280 nan 0.000 0.479 1087 G N 0.531 109.336 108.800 0.009 0.000 2.665 1087 G HA2 -0.365 3.595 3.960 0.001 0.000 0.326 1087 G HA3 -0.365 3.595 3.960 0.001 0.000 0.326 1087 G C 0.770 175.675 174.900 0.008 0.000 1.231 1087 G CA 1.352 46.457 45.100 0.007 0.000 0.992 1087 G HN 1.393 nan 8.290 nan 0.000 0.549 1088 E N 1.280 121.484 120.200 0.007 0.000 2.494 1088 E HA 0.391 4.742 4.350 0.001 0.000 0.193 1088 E C 1.269 177.875 176.600 0.009 0.000 1.074 1088 E CA 0.460 56.865 56.400 0.007 0.000 0.867 1088 E CB -0.574 29.129 29.700 0.006 0.000 0.924 1088 E HN 0.840 nan 8.360 nan 0.000 0.502 1089 L N -0.459 120.771 121.223 0.012 0.000 3.677 1089 L HA -0.281 4.059 4.340 0.001 0.000 0.464 1089 L C 0.309 177.189 176.870 0.016 0.000 1.278 1089 L CA 0.376 55.227 54.840 0.018 0.000 0.806 1089 L CB -2.700 39.372 42.059 0.022 0.000 1.610 1089 L HN 0.241 nan 8.230 nan 0.000 0.867 1090 E N 1.062 121.267 120.200 0.010 0.000 2.529 1090 E HA 0.155 4.505 4.350 0.001 0.000 0.259 1090 E C 1.263 177.868 176.600 0.007 0.000 0.966 1090 E CA 0.545 56.948 56.400 0.005 0.000 0.937 1090 E CB 0.042 29.741 29.700 -0.001 0.000 0.923 1090 E HN 0.595 nan 8.360 nan 0.000 0.468 1091 N N 0.536 119.240 118.700 0.007 0.000 2.965 1091 N HA -0.217 4.523 4.740 0.001 0.000 0.232 1091 N C 1.164 176.699 175.510 0.041 0.000 0.913 1091 N CA 1.363 54.420 53.050 0.011 0.000 0.981 1091 N CB -1.189 37.295 38.487 -0.005 0.000 1.077 1091 N HN 0.774 nan 8.380 nan 0.000 0.589 1092 K N 0.884 121.308 120.400 0.039 0.000 2.032 1092 K HA -0.010 4.311 4.320 0.001 0.000 0.209 1092 K C 1.998 178.610 176.600 0.020 0.000 1.048 1092 K CA 1.769 58.084 56.287 0.048 0.000 0.927 1092 K CB -0.185 32.336 32.500 0.036 0.000 0.712 1092 K HN 0.298 nan 8.250 nan 0.000 0.441 1093 A N 1.094 123.913 122.820 -0.001 0.000 1.940 1093 A HA -0.178 4.143 4.320 0.001 0.000 0.219 1093 A C 2.009 179.560 177.584 -0.055 0.000 1.176 1093 A CA 1.263 53.283 52.037 -0.028 0.000 0.631 1093 A CB -0.536 18.449 19.000 -0.025 0.000 0.814 1093 A HN 0.330 nan 8.150 nan 0.000 0.446 1094 L N -0.117 121.085 121.223 -0.035 0.000 2.027 1094 L HA -0.012 4.328 4.340 0.001 0.000 0.206 1094 L C 2.592 179.457 176.870 -0.008 0.000 1.074 1094 L CA 2.129 56.937 54.840 -0.054 0.000 0.745 1094 L CB -1.314 40.710 42.059 -0.058 0.000 0.898 1094 L HN 0.349 nan 8.230 nan 0.000 0.433 1095 G N -1.123 107.713 108.800 0.060 0.000 2.476 1095 G HA2 -0.306 3.655 3.960 0.001 0.000 0.218 1095 G HA3 -0.306 3.655 3.960 0.001 0.000 0.218 1095 G C 1.269 176.100 174.900 -0.114 0.000 1.164 1095 G CA 0.991 46.079 45.100 -0.021 0.000 0.768 1095 G HN 0.399 nan 8.290 nan 0.000 0.560 1096 D N -0.159 120.194 120.400 -0.077 0.000 2.178 1096 D HA -0.063 4.577 4.640 0.001 0.000 0.202 1096 D C 2.360 178.564 176.300 -0.161 0.000 0.974 1096 D CA 0.550 54.495 54.000 -0.092 0.000 0.841 1096 D CB -0.245 40.519 40.800 -0.060 0.000 0.953 1096 D HN 0.373 nan 8.370 nan 0.000 0.478 1097 R N -0.281 120.061 120.500 -0.265 0.000 2.105 1097 R HA -0.165 4.175 4.340 0.001 0.000 0.239 1097 R C 0.995 176.903 176.300 -0.653 0.000 1.135 1097 R CA 1.204 57.024 56.100 -0.467 0.000 0.967 1097 R CB -0.114 29.797 30.300 -0.648 0.000 0.861 1097 R HN 0.222 nan 8.270 nan 0.000 0.442 1098 Y N -0.121 120.026 120.300 -0.255 0.000 2.485 1098 Y HA 0.180 4.730 4.550 0.001 0.000 0.260 1098 Y C 0.326 176.159 175.900 -0.113 0.000 1.173 1098 Y CA -0.215 57.697 58.100 -0.313 0.000 1.252 1098 Y CB 0.787 38.677 38.460 -0.951 0.000 1.123 1098 Y HN -0.228 nan 8.280 nan 0.000 0.524 1099 K N -0.542 119.841 120.400 -0.029 0.000 3.071 1099 K HA -0.133 4.188 4.320 0.001 0.000 0.265 1099 K C 0.015 176.623 176.600 0.014 0.000 1.060 1099 K CA 0.506 56.796 56.287 0.005 0.000 0.767 1099 K CB -3.107 29.425 32.500 0.053 0.000 1.241 1099 K HN 0.395 nan 8.250 nan 0.000 0.486 1100 V N -1.195 118.696 119.914 -0.038 0.000 2.521 1100 V HA 0.346 4.467 4.120 0.001 0.000 0.286 1100 V C 0.583 176.620 176.094 -0.095 0.000 1.034 1100 V CA -0.500 61.786 62.300 -0.023 0.000 1.045 1100 V CB 1.458 33.230 31.823 -0.086 0.000 0.974 1100 V HN 0.361 nan 8.190 nan 0.000 0.480 1101 D N 4.368 124.692 120.400 -0.127 0.000 2.346 1101 D HA 0.048 4.688 4.640 0.001 0.000 0.267 1101 D C 0.784 176.796 176.300 -0.481 0.000 1.320 1101 D CA -0.056 53.816 54.000 -0.212 0.000 0.951 1101 D CB 0.826 41.531 40.800 -0.159 0.000 1.079 1101 D HN 0.877 nan 8.370 nan 0.000 0.509 1102 D N 2.512 122.592 120.400 -0.534 0.000 2.336 1102 D HA -0.080 4.561 4.640 0.001 0.000 0.229 1102 D C 0.744 176.640 176.300 -0.673 0.000 1.061 1102 D CA 0.228 53.625 54.000 -1.005 0.000 0.875 1102 D CB 0.240 40.807 40.800 -0.389 0.000 0.904 1102 D HN 0.198 nan 8.370 nan 0.000 0.525 1103 K N 0.017 120.168 120.400 -0.414 0.000 2.361 1103 K HA 0.135 4.455 4.320 0.001 0.000 0.194 1103 K C 0.240 176.710 176.600 -0.216 0.000 1.032 1103 K CA 0.060 56.207 56.287 -0.234 0.000 1.048 1103 K CB 0.417 32.830 32.500 -0.145 0.000 0.842 1103 K HN 0.136 nan 8.250 nan 0.000 0.526 1104 N N 0.728 119.245 118.700 -0.305 0.000 2.672 1104 N HA 0.152 4.893 4.740 0.001 0.000 0.295 1104 N C -1.021 174.405 175.510 -0.141 0.000 1.924 1104 N CA -0.196 52.749 53.050 -0.174 0.000 0.851 1104 N CB 0.368 38.782 38.487 -0.122 0.000 1.281 1104 N HN -0.104 nan 8.380 nan 0.000 0.494 1105 F N 2.033 121.968 119.950 -0.024 0.000 2.444 1105 F HA 0.340 4.868 4.527 0.001 0.000 0.331 1105 F C -1.091 174.681 175.800 -0.047 0.000 1.167 1105 F CA -1.496 56.491 58.000 -0.022 0.000 1.262 1105 F CB -0.128 38.860 39.000 -0.021 0.000 1.196 1105 F HN 0.131 nan 8.300 nan 0.000 0.583 1106 P HA 0.295 nan 4.420 nan 0.000 0.278 1106 P C -1.313 176.097 177.300 0.182 0.000 1.258 1106 P CA -0.513 62.721 63.100 0.223 0.000 0.811 1106 P CB 1.326 33.045 31.700 0.032 0.000 1.063 1107 S N 0.529 116.386 115.700 0.260 0.000 2.502 1107 S HA 0.553 5.024 4.470 0.001 0.000 0.304 1107 S C -0.392 174.334 174.600 0.209 0.000 1.097 1107 S CA -0.488 57.812 58.200 0.168 0.000 1.045 1107 S CB 0.418 63.793 63.200 0.292 0.000 1.019 1107 S HN 0.209 nan 8.310 nan 0.000 0.481 1108 I N 3.522 124.065 120.570 -0.045 0.000 2.406 1108 I HA 0.510 4.680 4.170 0.001 0.000 0.290 1108 I C -0.847 175.244 176.117 -0.042 0.000 0.999 1108 I CA -0.682 60.644 61.300 0.044 0.000 1.124 1108 I CB 0.803 38.731 38.000 -0.120 0.000 1.289 1108 I HN 0.514 nan 8.210 nan 0.000 0.441 1109 F N 5.591 125.696 119.950 0.259 0.000 2.546 1109 F HA 0.593 5.121 4.527 0.001 0.000 0.320 1109 F C -0.133 175.845 175.800 0.298 0.000 1.076 1109 F CA -0.848 57.268 58.000 0.192 0.000 0.928 1109 F CB 2.367 41.333 39.000 -0.057 0.000 1.189 1109 F HN 0.224 nan 8.300 nan 0.000 0.465 1110 L N 3.256 124.674 121.223 0.325 0.000 2.325 1110 L HA 0.597 4.937 4.340 0.001 0.000 0.281 1110 L C -1.584 175.292 176.870 0.008 0.000 1.004 1110 L CA -0.322 54.613 54.840 0.158 0.000 0.823 1110 L CB 0.762 42.694 42.059 -0.211 0.000 1.236 1110 L HN 0.463 nan 8.230 nan 0.000 0.415 1111 F N 3.429 123.549 119.950 0.282 0.000 2.450 1111 F HA 0.453 4.981 4.527 0.001 0.000 0.332 1111 F C 0.419 176.356 175.800 0.228 0.000 1.093 1111 F CA -0.659 57.499 58.000 0.264 0.000 1.003 1111 F CB 1.647 40.748 39.000 0.168 0.000 1.151 1111 F HN 0.283 nan 8.300 nan 0.000 0.474 1112 K N 1.920 122.538 120.400 0.363 0.000 3.045 1112 K HA 0.406 4.726 4.320 0.001 0.000 0.214 1112 K C 0.573 177.191 176.600 0.031 0.000 1.213 1112 K CA 0.035 56.442 56.287 0.199 0.000 1.111 1112 K CB 0.707 33.362 32.500 0.257 0.000 1.454 1112 K HN 1.005 nan 8.250 nan 0.000 0.498 1113 G N 1.682 110.492 108.800 0.015 0.000 2.195 1113 G HA2 -0.274 3.687 3.960 0.001 0.000 0.224 1113 G HA3 -0.274 3.687 3.960 0.001 0.000 0.224 1113 G C -0.179 174.733 174.900 0.021 0.000 0.990 1113 G CA 0.201 45.270 45.100 -0.052 0.000 0.639 1113 G HN 0.615 nan 8.290 nan 0.000 0.514 1114 N N -1.907 116.857 118.700 0.107 0.000 3.039 1114 N HA 0.723 5.463 4.740 0.001 0.000 0.257 1114 N C 0.515 176.151 175.510 0.210 0.000 1.497 1114 N CA 0.217 53.331 53.050 0.105 0.000 0.861 1114 N CB 0.737 39.287 38.487 0.105 0.000 1.479 1114 N HN 0.794 nan 8.380 nan 0.000 0.547 1115 A N -1.165 121.765 122.820 0.185 0.000 2.275 1115 A HA 0.166 4.487 4.320 0.001 0.000 0.212 1115 A C 0.364 178.355 177.584 0.678 0.000 1.201 1115 A CA 0.324 52.539 52.037 0.297 0.000 0.843 1115 A CB -0.414 18.724 19.000 0.230 0.000 0.873 1115 A HN 0.652 nan 8.150 nan 0.000 0.492 1116 D N -0.590 120.124 120.400 0.524 0.000 2.338 1116 D HA 0.045 4.685 4.640 0.001 0.000 0.208 1116 D C 0.179 176.775 176.300 0.493 0.000 0.997 1116 D CA 0.573 54.874 54.000 0.502 0.000 0.880 1116 D CB 0.382 41.350 40.800 0.279 0.000 0.980 1116 D HN 0.364 nan 8.370 nan 0.000 0.509 1117 E N 0.581 121.049 120.200 0.446 0.000 2.073 1117 E HA 0.400 4.751 4.350 0.001 0.000 0.269 1117 E C -1.336 175.456 176.600 0.319 0.000 0.917 1117 E CA -0.695 55.856 56.400 0.252 0.000 0.757 1117 E CB 0.092 29.901 29.700 0.182 0.000 1.111 1117 E HN 0.288 nan 8.360 nan 0.000 0.410 1118 Y N 0.603 120.965 120.300 0.103 0.000 2.670 1118 Y HA 0.791 5.341 4.550 0.001 0.000 0.334 1118 Y C -1.316 174.574 175.900 -0.017 0.000 1.185 1118 Y CA -1.300 56.748 58.100 -0.087 0.000 1.053 1118 Y CB 1.158 39.300 38.460 -0.529 0.000 1.298 1118 Y HN 0.428 nan 8.280 nan 0.000 0.459 1119 V N 1.666 121.671 119.914 0.152 0.000 2.789 1119 V HA 0.487 4.607 4.120 0.001 0.000 0.311 1119 V C -1.379 174.853 176.094 0.231 0.000 1.073 1119 V CA -0.521 61.865 62.300 0.143 0.000 0.921 1119 V CB 1.990 33.864 31.823 0.086 0.000 1.009 1119 V HN 1.011 nan 8.190 nan 0.000 0.426 1120 Q N 3.510 123.345 119.800 0.059 0.000 2.245 1120 Q HA 0.502 4.842 4.340 0.001 0.000 0.256 1120 Q C -0.941 174.909 176.000 -0.251 0.000 0.942 1120 Q CA -0.913 54.708 55.803 -0.304 0.000 0.896 1120 Q CB 1.801 30.180 28.738 -0.597 0.000 1.272 1120 Q HN 0.795 nan 8.270 nan 0.000 0.442 1121 L N 6.255 127.123 121.223 -0.591 0.000 2.534 1121 L HA 0.225 4.566 4.340 0.001 0.000 0.271 1121 L C -2.279 174.288 176.870 -0.507 0.000 1.178 1121 L CA -0.871 53.462 54.840 -0.845 0.000 0.907 1121 L CB 0.311 41.717 42.059 -1.089 0.000 1.164 1121 L HN 0.563 nan 8.230 nan 0.000 0.482 1122 P HA 0.034 nan 4.420 nan 0.000 0.265 1122 P C 0.461 177.497 177.300 -0.440 0.000 1.187 1122 P CA 0.236 63.095 63.100 -0.402 0.000 0.766 1122 P CB 0.508 31.896 31.700 -0.518 0.000 0.820 1123 S N 1.681 117.223 115.700 -0.262 0.000 2.469 1123 S HA -0.216 4.254 4.470 0.001 0.000 0.238 1123 S C 1.568 176.085 174.600 -0.139 0.000 0.998 1123 S CA 1.003 59.097 58.200 -0.178 0.000 0.957 1123 S CB -1.145 61.997 63.200 -0.096 0.000 0.764 1123 S HN 0.672 nan 8.310 nan 0.000 0.514 1124 H N 0.375 119.394 119.070 -0.085 0.000 2.512 1124 H HA 0.251 4.807 4.556 0.001 0.000 0.279 1124 H C 0.259 175.545 175.328 -0.070 0.000 0.999 1124 H CA 0.250 56.258 56.048 -0.067 0.000 1.283 1124 H CB -0.639 29.090 29.762 -0.054 0.000 1.421 1124 H HN 0.257 nan 8.280 nan 0.000 0.554 1125 V N 3.422 123.078 119.914 -0.430 0.000 2.479 1125 V HA -0.060 4.060 4.120 0.001 0.000 0.281 1125 V C 0.379 176.382 176.094 -0.152 0.000 1.031 1125 V CA -0.119 62.027 62.300 -0.257 0.000 1.038 1125 V CB 0.944 32.550 31.823 -0.361 0.000 0.981 1125 V HN 0.303 nan 8.190 nan 0.000 0.478 1126 D N 3.810 124.165 120.400 -0.074 0.000 2.414 1126 D HA 0.056 4.697 4.640 0.001 0.000 0.242 1126 D C -0.101 176.153 176.300 -0.078 0.000 1.129 1126 D CA -0.035 53.931 54.000 -0.056 0.000 0.885 1126 D CB 1.490 42.276 40.800 -0.023 0.000 1.198 1126 D HN 0.281 nan 8.370 nan 0.000 0.437 1127 V N 4.632 124.508 119.914 -0.063 0.000 2.276 1127 V HA 0.196 4.316 4.120 0.001 0.000 0.249 1127 V C 0.733 176.815 176.094 -0.021 0.000 1.160 1127 V CA -0.098 62.169 62.300 -0.056 0.000 1.042 1127 V CB -0.221 31.584 31.823 -0.031 0.000 1.224 1127 V HN 0.673 nan 8.190 nan 0.000 0.496 1128 T N 1.041 115.571 114.554 -0.039 0.000 2.930 1128 T HA 0.503 4.853 4.350 0.001 0.000 0.290 1128 T C 1.001 175.682 174.700 -0.031 0.000 1.052 1128 T CA -0.705 61.386 62.100 -0.017 0.000 1.017 1128 T CB 1.903 70.764 68.868 -0.011 0.000 1.137 1128 T HN 0.171 nan 8.240 nan 0.000 0.511 1129 L N 0.296 121.522 121.223 0.004 0.000 2.012 1129 L HA -0.094 4.247 4.340 0.001 0.000 0.210 1129 L C 1.943 178.819 176.870 0.010 0.000 1.073 1129 L CA 2.104 56.961 54.840 0.027 0.000 0.748 1129 L CB -0.574 41.516 42.059 0.051 0.000 0.891 1129 L HN 0.748 nan 8.230 nan 0.000 0.431 1130 D N 0.020 120.425 120.400 0.008 0.000 2.104 1130 D HA -0.192 4.448 4.640 0.001 0.000 0.194 1130 D C 1.885 178.181 176.300 -0.007 0.000 0.994 1130 D CA 1.172 55.177 54.000 0.009 0.000 0.830 1130 D CB -0.329 40.479 40.800 0.013 0.000 0.959 1130 D HN 0.337 nan 8.370 nan 0.000 0.452 1131 N N 0.119 118.799 118.700 -0.034 0.000 2.244 1131 N HA -0.088 4.652 4.740 0.001 0.000 0.183 1131 N C 1.656 177.117 175.510 -0.082 0.000 1.016 1131 N CA 0.242 53.262 53.050 -0.051 0.000 0.866 1131 N CB -0.170 38.270 38.487 -0.078 0.000 0.980 1131 N HN 0.127 nan 8.380 nan 0.000 0.430 1132 L N 1.567 122.682 121.223 -0.180 0.000 2.109 1132 L HA 0.004 4.345 4.340 0.001 0.000 0.207 1132 L C 1.951 178.670 176.870 -0.253 0.000 1.086 1132 L CA 1.367 55.965 54.840 -0.404 0.000 0.760 1132 L CB -0.793 40.723 42.059 -0.905 0.000 0.910 1132 L HN 0.108 nan 8.230 nan 0.000 0.437 1133 K N -0.576 119.796 120.400 -0.046 0.000 2.057 1133 K HA -0.126 4.194 4.320 0.001 0.000 0.207 1133 K C 2.066 178.712 176.600 0.077 0.000 1.049 1133 K CA 1.420 57.772 56.287 0.108 0.000 0.931 1133 K CB -0.179 32.368 32.500 0.078 0.000 0.714 1133 K HN 0.273 nan 8.250 nan 0.000 0.440 1134 A N 1.082 123.939 122.820 0.062 0.000 1.933 1134 A HA -0.179 4.142 4.320 0.001 0.000 0.218 1134 A C 1.953 179.603 177.584 0.111 0.000 1.175 1134 A CA 1.122 53.205 52.037 0.076 0.000 0.628 1134 A CB -0.635 18.402 19.000 0.061 0.000 0.814 1134 A HN 0.345 nan 8.150 nan 0.000 0.444 1135 F N 0.637 120.547 119.950 -0.067 0.000 2.171 1135 F HA -0.115 4.412 4.527 0.001 0.000 0.300 1135 F C 2.174 177.952 175.800 -0.036 0.000 1.090 1135 F CA 1.597 59.556 58.000 -0.070 0.000 1.293 1135 F CB -0.364 38.564 39.000 -0.121 0.000 1.013 1135 F HN 0.034 nan 8.300 nan 0.000 0.486 1136 V N -0.868 119.005 119.914 -0.068 0.000 2.323 1136 V HA -0.208 3.912 4.120 0.001 0.000 0.244 1136 V C 2.614 178.625 176.094 -0.138 0.000 1.041 1136 V CA 1.884 64.097 62.300 -0.146 0.000 1.025 1136 V CB -0.750 31.096 31.823 0.039 0.000 0.656 1136 V HN 0.483 nan 8.190 nan 0.000 0.451 1137 S N 0.101 115.781 115.700 -0.033 0.000 2.453 1137 S HA -0.017 4.453 4.470 0.001 0.000 0.231 1137 S C 1.920 176.499 174.600 -0.036 0.000 1.005 1137 S CA 1.210 59.411 58.200 0.001 0.000 0.949 1137 S CB -0.127 63.135 63.200 0.102 0.000 0.774 1137 S HN 0.555 nan 8.310 nan 0.000 0.510 1138 A N 1.213 124.005 122.820 -0.046 0.000 2.123 1138 A HA 0.219 4.539 4.320 0.001 0.000 0.214 1138 A C 1.779 179.311 177.584 -0.087 0.000 1.152 1138 A CA 0.708 52.722 52.037 -0.038 0.000 0.728 1138 A CB -0.179 18.828 19.000 0.013 0.000 0.814 1138 A HN 0.636 nan 8.150 nan 0.000 0.464 1139 N N -0.618 117.976 118.700 -0.177 0.000 2.159 1139 N HA 0.056 4.796 4.740 0.001 0.000 0.217 1139 N C -0.019 175.349 175.510 -0.238 0.000 1.223 1139 N CA 0.993 53.919 53.050 -0.207 0.000 0.896 1139 N CB 1.107 39.387 38.487 -0.345 0.000 1.064 1139 N HN 0.599 nan 8.380 nan 0.000 0.518 1140 T N -2.495 111.880 114.554 -0.298 0.000 2.841 1140 T HA 0.400 4.751 4.350 0.001 0.000 0.296 1140 T C -2.608 171.908 174.700 -0.306 0.000 1.166 1140 T CA -1.193 60.608 62.100 -0.499 0.000 1.007 1140 T CB 2.463 70.767 68.868 -0.940 0.000 1.253 1140 T HN -0.290 nan 8.240 nan 0.000 0.511 1141 P HA 0.280 nan 4.420 nan 0.000 0.245 1141 P C 0.085 177.341 177.300 -0.075 0.000 1.212 1141 P CA -0.069 62.966 63.100 -0.109 0.000 0.774 1141 P CB -0.048 31.641 31.700 -0.019 0.000 0.999 1142 L N -0.347 120.790 121.223 -0.144 0.000 2.399 1142 L HA 0.356 4.697 4.340 0.001 0.000 0.266 1142 L C -0.121 176.793 176.870 0.073 0.000 1.114 1142 L CA -0.907 53.912 54.840 -0.036 0.000 0.804 1142 L CB 0.347 42.355 42.059 -0.085 0.000 1.146 1142 L HN -0.080 nan 8.230 nan 0.000 0.451 1143 Y N 2.395 122.670 120.300 -0.042 0.000 2.354 1143 Y HA 0.502 5.053 4.550 0.001 0.000 0.330 1143 Y C -0.841 175.052 175.900 -0.012 0.000 1.011 1143 Y CA -0.825 57.261 58.100 -0.022 0.000 1.099 1143 Y CB 1.223 39.675 38.460 -0.014 0.000 1.179 1143 Y HN 0.358 nan 8.280 nan 0.000 0.442 1144 I N 6.898 127.146 120.570 -0.537 0.000 2.291 1144 I HA 0.426 4.596 4.170 0.001 0.000 0.290 1144 I C 0.940 176.522 176.117 -0.891 0.000 1.050 1144 I CA -0.273 60.720 61.300 -0.512 0.000 1.245 1144 I CB 0.759 38.615 38.000 -0.239 0.000 1.405 1144 I HN 0.869 nan 8.210 nan 0.000 0.478 1145 G N 6.097 114.424 108.800 -0.787 0.000 2.621 1145 G HA2 0.337 4.297 3.960 0.001 0.000 0.271 1145 G HA3 0.337 4.297 3.960 0.001 0.000 0.271 1145 G C 0.108 174.879 174.900 -0.215 0.000 1.236 1145 G CA -0.722 44.037 45.100 -0.569 0.000 0.958 1145 G HN 0.444 nan 8.290 nan 0.000 0.512 1146 R N 0.215 120.687 120.500 -0.048 0.000 2.643 1146 R HA 0.094 4.435 4.340 0.001 0.000 0.270 1146 R C -0.389 175.911 176.300 -0.001 0.000 1.061 1146 R CA -0.533 55.566 56.100 -0.001 0.000 1.107 1146 R CB 0.509 30.840 30.300 0.051 0.000 0.999 1146 R HN 0.526 nan 8.270 nan 0.000 0.460 1147 D N 0.236 120.633 120.400 -0.005 0.000 2.493 1147 D HA 0.126 4.767 4.640 0.001 0.000 0.240 1147 D C 1.258 177.567 176.300 0.014 0.000 1.142 1147 D CA 1.933 55.932 54.000 -0.002 0.000 0.872 1147 D CB 0.461 41.259 40.800 -0.003 0.000 1.173 1147 D HN 0.672 nan 8.370 nan 0.000 0.467 1148 G N 2.453 111.263 108.800 0.018 0.000 2.279 1148 G HA2 -0.260 3.701 3.960 0.001 0.000 0.223 1148 G HA3 -0.260 3.701 3.960 0.001 0.000 0.223 1148 G C 0.665 175.620 174.900 0.092 0.000 1.015 1148 G CA 0.109 45.228 45.100 0.031 0.000 0.621 1148 G HN 0.704 nan 8.290 nan 0.000 0.506 1149 C N 1.351 120.715 119.300 0.107 0.000 2.657 1149 C HA 0.619 5.079 4.460 0.001 0.000 0.404 1149 C C 0.854 175.936 174.990 0.153 0.000 1.291 1149 C CA 0.105 59.254 59.018 0.218 0.000 2.218 1149 C CB -0.172 27.678 27.740 0.183 0.000 2.687 1149 C HN 0.393 nan 8.230 nan 0.000 0.634 1150 I N 3.343 123.991 120.570 0.131 0.000 2.410 1150 I HA 0.172 4.342 4.170 0.001 0.000 0.286 1150 I C 1.171 177.282 176.117 -0.011 0.000 1.009 1150 I CA -0.360 60.877 61.300 -0.106 0.000 1.111 1150 I CB 1.512 39.165 38.000 -0.579 0.000 1.262 1150 I HN 0.812 nan 8.210 nan 0.000 0.443 1151 K N 2.448 122.874 120.400 0.043 0.000 2.063 1151 K HA -0.140 4.180 4.320 0.001 0.000 0.208 1151 K C 1.283 177.934 176.600 0.085 0.000 1.048 1151 K CA 1.260 57.601 56.287 0.090 0.000 0.928 1151 K CB -0.593 31.967 32.500 0.101 0.000 0.713 1151 K HN 0.681 nan 8.250 nan 0.000 0.442 1152 E N -0.081 120.178 120.200 0.099 0.000 2.274 1152 E HA 0.162 4.512 4.350 0.001 0.000 0.194 1152 E C 1.720 178.405 176.600 0.141 0.000 0.996 1152 E CA 1.085 57.552 56.400 0.112 0.000 0.840 1152 E CB -0.453 29.324 29.700 0.129 0.000 0.772 1152 E HN 0.620 nan 8.360 nan 0.000 0.491 1153 F N 0.594 120.422 119.950 -0.202 0.000 2.149 1153 F HA -0.095 4.433 4.527 0.001 0.000 0.294 1153 F C 1.944 177.626 175.800 -0.198 0.000 1.095 1153 F CA 0.299 58.110 58.000 -0.316 0.000 1.276 1153 F CB -0.019 38.490 39.000 -0.819 0.000 1.023 1153 F HN 0.010 nan 8.300 nan 0.000 0.480 1154 N N 0.690 119.439 118.700 0.082 0.000 2.120 1154 N HA -0.192 4.549 4.740 0.001 0.000 0.188 1154 N C 1.605 177.133 175.510 0.030 0.000 1.024 1154 N CA 1.572 54.668 53.050 0.077 0.000 0.852 1154 N CB -0.632 37.924 38.487 0.114 0.000 1.003 1154 N HN 0.494 nan 8.380 nan 0.000 0.424 1155 E N 0.432 120.650 120.200 0.029 0.000 2.401 1155 E HA -0.101 4.249 4.350 0.001 0.000 0.199 1155 E C 1.235 177.833 176.600 -0.003 0.000 1.023 1155 E CA 1.113 57.519 56.400 0.010 0.000 0.859 1155 E CB -0.050 29.658 29.700 0.012 0.000 0.780 1155 E HN 0.338 nan 8.360 nan 0.000 0.523 1156 V N -2.380 117.525 119.914 -0.015 0.000 3.528 1156 V HA 0.239 4.359 4.120 0.001 0.000 0.294 1156 V C 1.518 177.621 176.094 0.015 0.000 1.404 1156 V CA -0.182 62.108 62.300 -0.016 0.000 1.065 1156 V CB -0.126 31.666 31.823 -0.052 0.000 0.904 1156 V HN 0.167 nan 8.190 nan 0.000 0.435 1157 L N 0.712 121.938 121.223 0.005 0.000 2.607 1157 L HA 0.404 4.745 4.340 0.001 0.000 0.228 1157 L C 1.597 178.488 176.870 0.036 0.000 1.123 1157 L CA 0.418 55.267 54.840 0.015 0.000 0.890 1157 L CB -0.424 41.552 42.059 -0.138 0.000 1.103 1157 L HN 0.391 nan 8.230 nan 0.000 0.468 1158 K N 0.715 121.134 120.400 0.032 0.000 2.472 1158 K HA -0.028 4.293 4.320 0.001 0.000 0.280 1158 K C 0.903 177.553 176.600 0.084 0.000 1.028 1158 K CA 0.627 56.938 56.287 0.039 0.000 1.045 1158 K CB -0.293 32.220 32.500 0.023 0.000 0.902 1158 K HN 0.384 nan 8.250 nan 0.000 0.478 1159 N N 0.154 118.916 118.700 0.104 0.000 2.800 1159 N HA -0.273 4.468 4.740 0.001 0.000 0.250 1159 N C 0.559 176.173 175.510 0.174 0.000 1.078 1159 N CA 1.592 54.712 53.050 0.117 0.000 0.804 1159 N CB -2.234 36.291 38.487 0.063 0.000 1.135 1159 N HN 0.907 nan 8.380 nan 0.000 0.565 1160 Y N 0.276 120.646 120.300 0.116 0.000 2.096 1160 Y HA -0.274 4.276 4.550 0.001 0.000 0.278 1160 Y C 2.148 178.184 175.900 0.226 0.000 1.192 1160 Y CA 3.025 61.237 58.100 0.186 0.000 1.143 1160 Y CB -0.761 37.872 38.460 0.288 0.000 0.963 1160 Y HN 0.303 nan 8.280 nan 0.000 0.505 1161 A N -0.000 123.053 122.820 0.389 0.000 2.070 1161 A HA -0.190 4.130 4.320 0.001 0.000 0.220 1161 A C 1.832 179.456 177.584 0.068 0.000 1.159 1161 A CA 1.815 54.020 52.037 0.279 0.000 0.656 1161 A CB -0.528 18.771 19.000 0.497 0.000 0.800 1161 A HN 0.635 nan 8.150 nan 0.000 0.453 1162 N N -0.317 118.399 118.700 0.027 0.000 2.299 1162 N HA 0.150 4.891 4.740 0.001 0.000 0.187 1162 N C 0.709 176.197 175.510 -0.037 0.000 1.099 1162 N CA 0.309 53.349 53.050 -0.016 0.000 0.867 1162 N CB 0.044 38.521 38.487 -0.017 0.000 0.974 1162 N HN 0.765 nan 8.380 nan 0.000 0.477 1163 I N -0.858 119.668 120.570 -0.073 0.000 2.886 1163 I HA 0.439 4.609 4.170 0.001 0.000 0.299 1163 I C -2.391 173.679 176.117 -0.079 0.000 1.044 1163 I CA -2.004 59.254 61.300 -0.070 0.000 1.310 1163 I CB 0.283 38.242 38.000 -0.068 0.000 1.441 1163 I HN -0.311 nan 8.210 nan 0.000 0.578 1164 P HA 0.066 nan 4.420 nan 0.000 0.269 1164 P C -0.224 177.067 177.300 -0.015 0.000 1.215 1164 P CA 0.034 63.119 63.100 -0.024 0.000 0.780 1164 P CB 0.484 32.177 31.700 -0.012 0.000 0.898 1165 D N 1.730 122.154 120.400 0.039 0.000 2.133 1165 D HA -0.234 4.407 4.640 0.001 0.000 0.192 1165 D C 1.899 178.221 176.300 0.036 0.000 1.001 1165 D CA 2.225 56.309 54.000 0.140 0.000 0.844 1165 D CB -0.735 40.199 40.800 0.223 0.000 0.944 1165 D HN 0.374 nan 8.370 nan 0.000 0.447 1166 A N 0.849 123.679 122.820 0.017 0.000 1.902 1166 A HA -0.222 4.099 4.320 0.001 0.000 0.217 1166 A C 2.096 179.661 177.584 -0.031 0.000 1.181 1166 A CA 1.657 53.688 52.037 -0.011 0.000 0.623 1166 A CB -0.521 18.478 19.000 -0.002 0.000 0.818 1166 A HN 0.254 nan 8.150 nan 0.000 0.443 1167 E N -0.498 119.684 120.200 -0.029 0.000 2.106 1167 E HA -0.197 4.153 4.350 0.001 0.000 0.192 1167 E C 2.288 178.869 176.600 -0.032 0.000 0.984 1167 E CA 1.124 57.508 56.400 -0.027 0.000 0.806 1167 E CB -0.183 29.503 29.700 -0.024 0.000 0.750 1167 E HN 0.735 nan 8.360 nan 0.000 0.458 1168 Q N 0.509 120.255 119.800 -0.091 0.000 2.061 1168 Q HA -0.174 4.166 4.340 0.001 0.000 0.204 1168 Q C 2.350 178.323 176.000 -0.045 0.000 0.984 1168 Q CA 1.180 56.925 55.803 -0.098 0.000 0.846 1168 Q CB -0.165 28.426 28.738 -0.245 0.000 0.902 1168 Q HN 0.299 nan 8.270 nan 0.000 0.421 1169 L N 0.595 121.706 121.223 -0.186 0.000 2.083 1169 L HA -0.222 4.119 4.340 0.001 0.000 0.209 1169 L C 2.900 179.730 176.870 -0.068 0.000 1.083 1169 L CA 1.652 56.383 54.840 -0.181 0.000 0.752 1169 L CB -0.763 41.183 42.059 -0.189 0.000 0.899 1169 L HN 0.223 nan 8.230 nan 0.000 0.433 1170 K N 0.460 120.836 120.400 -0.040 0.000 2.057 1170 K HA -0.120 4.201 4.320 0.001 0.000 0.207 1170 K C 1.867 178.460 176.600 -0.012 0.000 1.049 1170 K CA 1.678 57.952 56.287 -0.023 0.000 0.931 1170 K CB -1.095 31.396 32.500 -0.016 0.000 0.714 1170 K HN 0.299 nan 8.250 nan 0.000 0.440 1171 L N -0.293 120.945 121.223 0.026 0.000 2.109 1171 L HA 0.001 4.341 4.340 0.001 0.000 0.207 1171 L C 2.683 179.556 176.870 0.006 0.000 1.086 1171 L CA 0.836 55.699 54.840 0.039 0.000 0.760 1171 L CB -0.281 41.874 42.059 0.160 0.000 0.910 1171 L HN 0.309 nan 8.230 nan 0.000 0.437 1172 I N -0.228 120.365 120.570 0.039 0.000 2.127 1172 I HA -0.341 3.829 4.170 0.001 0.000 0.241 1172 I C 2.909 179.007 176.117 -0.032 0.000 1.075 1172 I CA 1.776 63.078 61.300 0.004 0.000 1.334 1172 I CB -0.311 37.691 38.000 0.003 0.000 1.040 1172 I HN 0.243 nan 8.210 nan 0.000 0.405 1173 E N 1.306 121.486 120.200 -0.034 0.000 2.077 1173 E HA -0.294 4.057 4.350 0.001 0.000 0.193 1173 E C 2.203 178.771 176.600 -0.053 0.000 0.989 1173 E CA 1.803 58.181 56.400 -0.036 0.000 0.800 1173 E CB -0.321 29.360 29.700 -0.031 0.000 0.746 1173 E HN 0.506 nan 8.360 nan 0.000 0.452 1174 K N -0.352 120.006 120.400 -0.069 0.000 2.026 1174 K HA -0.043 4.278 4.320 0.001 0.000 0.208 1174 K C 2.461 178.964 176.600 -0.162 0.000 1.048 1174 K CA 1.747 57.975 56.287 -0.099 0.000 0.929 1174 K CB -0.317 32.122 32.500 -0.101 0.000 0.713 1174 K HN 0.369 nan 8.250 nan 0.000 0.439 1175 L N 0.513 121.597 121.223 -0.230 0.000 2.341 1175 L HA -0.069 4.271 4.340 0.001 0.000 0.214 1175 L C 2.703 179.467 176.870 -0.176 0.000 1.115 1175 L CA 0.650 55.239 54.840 -0.419 0.000 0.820 1175 L CB -0.291 41.377 42.059 -0.651 0.000 0.944 1175 L HN 0.403 nan 8.230 nan 0.000 0.452 1176 Q N 0.506 120.260 119.800 -0.078 0.000 2.084 1176 Q HA -0.212 4.128 4.340 0.001 0.000 0.202 1176 Q C 2.295 178.294 176.000 -0.001 0.000 0.978 1176 Q CA 1.826 57.624 55.803 -0.009 0.000 0.844 1176 Q CB 0.011 28.745 28.738 -0.007 0.000 0.898 1176 Q HN 0.499 nan 8.270 nan 0.000 0.426 1177 A N 0.958 123.762 122.820 -0.026 0.000 1.898 1177 A HA -0.181 4.139 4.320 0.001 0.000 0.216 1177 A C 1.952 179.535 177.584 -0.002 0.000 1.181 1177 A CA 1.514 53.542 52.037 -0.016 0.000 0.620 1177 A CB -0.340 18.643 19.000 -0.028 0.000 0.819 1177 A HN 0.295 nan 8.150 nan 0.000 0.442 1178 K N -0.624 119.763 120.400 -0.022 0.000 2.026 1178 K HA -0.216 4.105 4.320 0.001 0.000 0.208 1178 K C 2.422 179.102 176.600 0.134 0.000 1.048 1178 K CA 1.587 57.892 56.287 0.031 0.000 0.929 1178 K CB -0.220 32.258 32.500 -0.036 0.000 0.713 1178 K HN 0.733 nan 8.250 nan 0.000 0.439 1179 Q N 1.586 121.495 119.800 0.181 0.000 2.096 1179 Q HA -0.220 4.120 4.340 0.001 0.000 0.204 1179 Q C 1.454 177.508 176.000 0.090 0.000 0.982 1179 Q CA 1.751 57.672 55.803 0.197 0.000 0.850 1179 Q CB 0.018 28.876 28.738 0.200 0.000 0.901 1179 Q HN 0.342 nan 8.270 nan 0.000 0.422 1180 E N -0.378 119.858 120.200 0.060 0.000 2.338 1180 E HA -0.157 4.193 4.350 0.001 0.000 0.197 1180 E C 1.855 178.473 176.600 0.029 0.000 1.007 1180 E CA 0.619 57.040 56.400 0.035 0.000 0.849 1180 E CB 0.198 29.911 29.700 0.022 0.000 0.774 1180 E HN 0.388 nan 8.360 nan 0.000 0.506 1181 Q N -0.112 119.711 119.800 0.037 0.000 2.408 1181 Q HA 0.121 4.461 4.340 0.001 0.000 0.205 1181 Q C 0.451 176.468 176.000 0.029 0.000 0.919 1181 Q CA 0.177 55.997 55.803 0.029 0.000 0.932 1181 Q CB 0.256 29.010 28.738 0.027 0.000 1.058 1181 Q HN 0.309 nan 8.270 nan 0.000 0.517 1182 L N 1.896 123.141 121.223 0.038 0.000 2.513 1182 L HA -0.008 4.332 4.340 0.001 0.000 0.272 1182 L C 1.423 178.297 176.870 0.007 0.000 1.187 1182 L CA 0.444 55.297 54.840 0.022 0.000 0.895 1182 L CB 0.562 42.626 42.059 0.009 0.000 1.147 1182 L HN 0.149 nan 8.230 nan 0.000 0.483 1183 T N -2.716 111.838 114.554 0.001 0.000 3.014 1183 T HA 0.028 4.378 4.350 0.001 0.000 0.250 1183 T C 0.367 175.061 174.700 -0.010 0.000 1.060 1183 T CA -0.376 61.722 62.100 -0.003 0.000 1.040 1183 T CB 0.008 68.875 68.868 -0.001 0.000 0.971 1183 T HN 0.499 nan 8.240 nan 0.000 0.497 1184 D N 2.499 122.890 120.400 -0.016 0.000 2.295 1184 D HA 0.318 4.958 4.640 0.001 0.000 0.248 1184 D C -1.655 174.629 176.300 -0.025 0.000 1.154 1184 D CA -2.311 51.676 54.000 -0.022 0.000 0.857 1184 D CB 1.712 42.496 40.800 -0.027 0.000 1.117 1184 D HN -0.087 nan 8.370 nan 0.000 0.468 1185 P HA -0.188 nan 4.420 nan 0.000 0.215 1185 P C 0.941 178.226 177.300 -0.025 0.000 1.157 1185 P CA 1.036 64.124 63.100 -0.021 0.000 0.874 1185 P CB 0.193 31.882 31.700 -0.018 0.000 0.790 1186 E N -0.399 119.785 120.200 -0.027 0.000 2.051 1186 E HA -0.243 4.107 4.350 0.001 0.000 0.192 1186 E C 2.088 178.664 176.600 -0.041 0.000 0.991 1186 E CA 1.103 57.486 56.400 -0.029 0.000 0.799 1186 E CB -0.267 29.417 29.700 -0.027 0.000 0.748 1186 E HN 0.278 nan 8.360 nan 0.000 0.449 1187 Q N -0.014 119.752 119.800 -0.056 0.000 2.096 1187 Q HA -0.235 4.105 4.340 0.001 0.000 0.204 1187 Q C 2.279 178.218 176.000 -0.102 0.000 0.982 1187 Q CA 1.603 57.346 55.803 -0.100 0.000 0.850 1187 Q CB -0.117 28.550 28.738 -0.118 0.000 0.901 1187 Q HN 0.432 nan 8.270 nan 0.000 0.422 1188 Q N -0.124 119.640 119.800 -0.059 0.000 2.096 1188 Q HA -0.197 4.143 4.340 0.001 0.000 0.204 1188 Q C 2.312 178.295 176.000 -0.029 0.000 0.982 1188 Q CA 1.680 57.460 55.803 -0.037 0.000 0.850 1188 Q CB -0.049 28.678 28.738 -0.018 0.000 0.901 1188 Q HN 0.260 nan 8.270 nan 0.000 0.422 1189 Q N 0.203 119.986 119.800 -0.028 0.000 2.046 1189 Q HA -0.101 4.240 4.340 0.001 0.000 0.200 1189 Q C 1.863 177.850 176.000 -0.023 0.000 0.975 1189 Q CA 1.337 57.126 55.803 -0.023 0.000 0.836 1189 Q CB -0.484 28.241 28.738 -0.021 0.000 0.896 1189 Q HN 0.546 nan 8.270 nan 0.000 0.428 1190 N N 0.776 119.464 118.700 -0.020 0.000 2.166 1190 N HA -0.029 4.712 4.740 0.001 0.000 0.186 1190 N C 1.750 177.317 175.510 0.095 0.000 1.019 1190 N CA 1.404 54.464 53.050 0.018 0.000 0.856 1190 N CB -0.644 37.865 38.487 0.036 0.000 0.993 1190 N HN 0.456 nan 8.380 nan 0.000 0.426 1191 A N 1.538 124.355 122.820 -0.004 0.000 1.978 1191 A HA -0.129 4.191 4.320 0.001 0.000 0.220 1191 A C 2.228 179.894 177.584 0.137 0.000 1.170 1191 A CA 1.099 53.149 52.037 0.022 0.000 0.636 1191 A CB -0.382 18.572 19.000 -0.077 0.000 0.810 1191 A HN 0.230 nan 8.150 nan 0.000 0.448 1192 R N -0.653 119.870 120.500 0.038 0.000 2.081 1192 R HA -0.113 4.228 4.340 0.001 0.000 0.235 1192 R C 2.482 178.724 176.300 -0.097 0.000 1.131 1192 R CA 1.242 57.336 56.100 -0.009 0.000 0.960 1192 R CB -0.448 29.834 30.300 -0.030 0.000 0.856 1192 R HN 0.536 nan 8.270 nan 0.000 0.436 1193 A N 0.337 123.059 122.820 -0.163 0.000 1.873 1193 A HA -0.165 4.156 4.320 0.001 0.000 0.215 1193 A C 1.832 179.074 177.584 -0.570 0.000 1.186 1193 A CA 1.037 52.773 52.037 -0.501 0.000 0.616 1193 A CB -0.706 18.025 19.000 -0.448 0.000 0.823 1193 A HN 0.271 nan 8.150 nan 0.000 0.442 1194 Y N -0.073 120.137 120.300 -0.150 0.000 2.081 1194 Y HA -0.232 4.318 4.550 0.001 0.000 0.280 1194 Y C 2.399 178.310 175.900 0.018 0.000 1.163 1194 Y CA 1.649 59.829 58.100 0.134 0.000 1.135 1194 Y CB -0.269 38.413 38.460 0.370 0.000 0.970 1194 Y HN 0.145 nan 8.280 nan 0.000 0.498 1195 L N -0.363 120.967 121.223 0.177 0.000 2.046 1195 L HA -0.236 4.104 4.340 0.001 0.000 0.208 1195 L C 2.288 179.119 176.870 -0.065 0.000 1.077 1195 L CA 1.786 56.662 54.840 0.061 0.000 0.747 1195 L CB -1.263 40.837 42.059 0.067 0.000 0.896 1195 L HN 0.349 nan 8.230 nan 0.000 0.432 1196 I N -1.297 119.174 120.570 -0.164 0.000 2.127 1196 I HA -0.383 3.787 4.170 0.001 0.000 0.241 1196 I C 2.563 178.567 176.117 -0.188 0.000 1.075 1196 I CA 1.432 62.616 61.300 -0.194 0.000 1.334 1196 I CB -0.460 37.388 38.000 -0.253 0.000 1.040 1196 I HN 0.150 nan 8.210 nan 0.000 0.405 1197 Y N 0.280 120.418 120.300 -0.269 0.000 2.181 1197 Y HA -0.222 4.328 4.550 0.001 0.000 0.288 1197 Y C 2.595 178.132 175.900 -0.605 0.000 1.146 1197 Y CA 1.005 58.807 58.100 -0.497 0.000 1.164 1197 Y CB -1.104 36.926 38.460 -0.717 0.000 0.982 1197 Y HN 0.154 nan 8.280 nan 0.000 0.515 1198 M N -0.497 118.902 119.600 -0.335 0.000 2.080 1198 M HA -0.254 4.227 4.480 0.001 0.000 0.260 1198 M C 2.270 178.619 176.300 0.082 0.000 1.068 1198 M CA 1.822 56.995 55.300 -0.211 0.000 1.109 1198 M CB -0.347 32.157 32.600 -0.161 0.000 1.342 1198 M HN 0.133 nan 8.290 nan 0.000 0.405 1199 R N -0.223 120.270 120.500 -0.011 0.000 2.073 1199 R HA -0.052 4.288 4.340 0.001 0.000 0.229 1199 R C 2.290 178.564 176.300 -0.044 0.000 1.120 1199 R CA 0.787 56.907 56.100 0.033 0.000 0.967 1199 R CB -0.205 30.084 30.300 -0.018 0.000 0.862 1199 R HN 0.204 nan 8.270 nan 0.000 0.436 1200 K N 0.960 121.189 120.400 -0.285 0.000 2.057 1200 K HA -0.078 4.243 4.320 0.001 0.000 0.207 1200 K C 2.077 178.450 176.600 -0.379 0.000 1.049 1200 K CA 1.200 57.152 56.287 -0.559 0.000 0.931 1200 K CB -0.273 31.345 32.500 -1.470 0.000 0.714 1200 K HN 0.214 nan 8.250 nan 0.000 0.440 1201 I N 0.129 120.568 120.570 -0.219 0.000 2.252 1201 I HA -0.285 3.886 4.170 0.001 0.000 0.245 1201 I C 2.516 178.721 176.117 0.147 0.000 1.102 1201 I CA 1.257 62.607 61.300 0.083 0.000 1.385 1201 I CB -0.321 37.846 38.000 0.278 0.000 1.064 1201 I HN 0.217 nan 8.210 nan 0.000 0.414 1202 H N 0.819 119.956 119.070 0.112 0.000 2.387 1202 H HA -0.211 4.345 4.556 0.001 0.000 0.299 1202 H C 2.119 177.459 175.328 0.019 0.000 1.090 1202 H CA 2.144 58.230 56.048 0.062 0.000 1.332 1202 H CB 0.045 29.864 29.762 0.095 0.000 1.386 1202 H HN 0.369 nan 8.280 nan 0.000 0.516 1203 E N -0.700 119.427 120.200 -0.121 0.000 2.028 1203 E HA -0.097 4.254 4.350 0.001 0.000 0.190 1203 E C 1.739 178.270 176.600 -0.115 0.000 0.984 1203 E CA 1.325 57.630 56.400 -0.158 0.000 0.800 1203 E CB -0.036 29.619 29.700 -0.075 0.000 0.758 1203 E HN 0.354 nan 8.360 nan 0.000 0.448 1204 V N -0.407 119.473 119.914 -0.056 0.000 3.645 1204 V HA 0.285 4.405 4.120 0.001 0.000 0.275 1204 V C 0.545 176.665 176.094 0.043 0.000 1.356 1204 V CA 0.885 63.186 62.300 0.001 0.000 1.051 1204 V CB 0.410 32.257 31.823 0.040 0.000 0.828 1204 V HN 0.605 nan 8.190 nan 0.000 0.441 1205 G N -0.341 108.495 108.800 0.060 0.000 2.660 1205 G HA2 -0.340 3.621 3.960 0.001 0.000 0.247 1205 G HA3 -0.340 3.621 3.960 0.001 0.000 0.247 1205 G C 0.040 175.064 174.900 0.207 0.000 1.328 1205 G CA 0.309 45.481 45.100 0.119 0.000 0.884 1205 G HN 0.181 nan 8.290 nan 0.000 0.531 1206 Y N 1.084 121.439 120.300 0.092 0.000 2.483 1206 Y HA -0.011 4.539 4.550 0.001 0.000 0.291 1206 Y C 2.587 178.538 175.900 0.084 0.000 1.143 1206 Y CA 2.245 60.409 58.100 0.107 0.000 1.289 1206 Y CB -0.017 38.490 38.460 0.078 0.000 0.983 1206 Y HN 0.501 nan 8.280 nan 0.000 0.556 1207 D N -0.453 120.005 120.400 0.097 0.000 2.228 1207 D HA -0.250 4.390 4.640 0.001 0.000 0.203 1207 D C 1.923 178.185 176.300 -0.063 0.000 0.988 1207 D CA 1.134 55.138 54.000 0.006 0.000 0.864 1207 D CB -0.673 40.152 40.800 0.042 0.000 0.928 1207 D HN 0.428 nan 8.370 nan 0.000 0.469 1208 F N 1.227 121.101 119.950 -0.127 0.000 2.161 1208 F HA -0.212 4.315 4.527 0.001 0.000 0.300 1208 F C 1.993 177.641 175.800 -0.252 0.000 1.089 1208 F CA 0.956 58.866 58.000 -0.150 0.000 1.282 1208 F CB -0.112 38.822 39.000 -0.110 0.000 1.010 1208 F HN -0.096 nan 8.300 nan 0.000 0.485 1209 L N 0.499 121.435 121.223 -0.479 0.000 1.989 1209 L HA -0.240 4.101 4.340 0.001 0.000 0.211 1209 L C 2.759 179.314 176.870 -0.524 0.000 1.071 1209 L CA 2.348 56.824 54.840 -0.607 0.000 0.749 1209 L CB -1.810 39.769 42.059 -0.800 0.000 0.890 1209 L HN 0.343 nan 8.230 nan 0.000 0.431 1210 E N 0.111 120.072 120.200 -0.398 0.000 2.077 1210 E HA -0.228 4.123 4.350 0.001 0.000 0.193 1210 E C 2.267 178.700 176.600 -0.279 0.000 0.989 1210 E CA 1.572 57.813 56.400 -0.264 0.000 0.800 1210 E CB -0.232 29.374 29.700 -0.157 0.000 0.746 1210 E HN 0.660 nan 8.360 nan 0.000 0.452 1211 E N 0.494 120.499 120.200 -0.325 0.000 2.038 1211 E HA -0.248 4.102 4.350 0.001 0.000 0.195 1211 E C 1.920 178.292 176.600 -0.380 0.000 1.000 1211 E CA 1.900 58.122 56.400 -0.297 0.000 0.803 1211 E CB -0.979 28.569 29.700 -0.254 0.000 0.750 1211 E HN 0.609 nan 8.360 nan 0.000 0.448 1212 E N -0.102 119.694 120.200 -0.673 0.000 2.107 1212 E HA -0.066 4.284 4.350 0.001 0.000 0.191 1212 E C 2.328 178.702 176.600 -0.377 0.000 0.982 1212 E CA 1.623 57.654 56.400 -0.615 0.000 0.809 1212 E CB -0.453 28.585 29.700 -1.102 0.000 0.756 1212 E HN 0.475 nan 8.360 nan 0.000 0.459 1213 T N 0.751 115.083 114.554 -0.370 0.000 2.684 1213 T HA -0.146 4.205 4.350 0.001 0.000 0.267 1213 T C 1.647 176.252 174.700 -0.158 0.000 1.036 1213 T CA 1.718 63.680 62.100 -0.229 0.000 1.148 1213 T CB -0.176 68.572 68.868 -0.201 0.000 0.863 1213 T HN 0.185 nan 8.240 nan 0.000 0.436 1214 K N 0.529 120.835 120.400 -0.157 0.000 2.097 1214 K HA -0.053 4.267 4.320 0.001 0.000 0.206 1214 K C 2.551 179.097 176.600 -0.089 0.000 1.049 1214 K CA 0.944 57.168 56.287 -0.106 0.000 0.933 1214 K CB -0.140 32.302 32.500 -0.096 0.000 0.717 1214 K HN 0.184 nan 8.250 nan 0.000 0.442 1215 R N 1.241 121.676 120.500 -0.108 0.000 2.070 1215 R HA -0.115 4.225 4.340 0.001 0.000 0.233 1215 R C 2.263 178.531 176.300 -0.054 0.000 1.137 1215 R CA 1.281 57.338 56.100 -0.072 0.000 0.945 1215 R CB -0.252 30.005 30.300 -0.071 0.000 0.845 1215 R HN 0.120 nan 8.270 nan 0.000 0.430 1216 L N 0.576 121.758 121.223 -0.067 0.000 2.046 1216 L HA -0.187 4.153 4.340 0.001 0.000 0.208 1216 L C 2.416 179.265 176.870 -0.036 0.000 1.077 1216 L CA 1.142 55.958 54.840 -0.041 0.000 0.747 1216 L CB -0.334 41.696 42.059 -0.047 0.000 0.896 1216 L HN 0.283 nan 8.230 nan 0.000 0.432 1217 L N -0.623 120.571 121.223 -0.048 0.000 2.201 1217 L HA -0.177 4.163 4.340 0.001 0.000 0.212 1217 L C 2.758 179.611 176.870 -0.027 0.000 1.105 1217 L CA 0.874 55.693 54.840 -0.036 0.000 0.775 1217 L CB -0.519 41.516 42.059 -0.040 0.000 0.913 1217 L HN 0.265 nan 8.230 nan 0.000 0.440 1218 R N 0.885 121.367 120.500 -0.030 0.000 2.081 1218 R HA -0.163 4.177 4.340 0.001 0.000 0.235 1218 R C 2.282 178.573 176.300 -0.015 0.000 1.131 1218 R CA 1.431 57.518 56.100 -0.022 0.000 0.960 1218 R CB -0.219 30.067 30.300 -0.023 0.000 0.856 1218 R HN 0.296 nan 8.270 nan 0.000 0.436 1219 L N 0.605 121.819 121.223 -0.014 0.000 2.046 1219 L HA -0.145 4.195 4.340 0.001 0.000 0.208 1219 L C 2.707 179.573 176.870 -0.006 0.000 1.077 1219 L CA 1.605 56.441 54.840 -0.008 0.000 0.747 1219 L CB -0.394 41.662 42.059 -0.004 0.000 0.896 1219 L HN 0.244 nan 8.230 nan 0.000 0.432 1220 K N 0.301 120.696 120.400 -0.008 0.000 2.211 1220 K HA -0.094 4.226 4.320 0.001 0.000 0.203 1220 K C 1.864 178.461 176.600 -0.005 0.000 1.050 1220 K CA 1.051 57.335 56.287 -0.005 0.000 0.945 1220 K CB 0.020 32.516 32.500 -0.007 0.000 0.732 1220 K HN 0.262 nan 8.250 nan 0.000 0.451 1221 A N 0.521 123.337 122.820 -0.007 0.000 2.238 1221 A HA 0.178 4.498 4.320 0.001 0.000 0.208 1221 A C 1.042 178.623 177.584 -0.004 0.000 1.177 1221 A CA 0.521 52.555 52.037 -0.006 0.000 0.804 1221 A CB -0.316 18.678 19.000 -0.009 0.000 0.823 1221 A HN 0.403 nan 8.150 nan 0.000 0.482 1222 G N -0.491 108.307 108.800 -0.004 0.000 2.535 1222 G HA2 0.407 4.367 3.960 0.001 0.000 0.282 1222 G HA3 0.407 4.367 3.960 0.001 0.000 0.282 1222 G C -0.283 174.617 174.900 -0.000 0.000 1.350 1222 G CA -0.782 44.317 45.100 -0.002 0.000 1.039 1222 G HN 0.315 nan 8.290 nan 0.000 0.509 1223 K N 0.352 120.753 120.400 0.001 0.000 2.262 1223 K HA 0.362 4.683 4.320 0.001 0.000 0.288 1223 K C -0.262 176.339 176.600 0.002 0.000 1.090 1223 K CA -0.199 56.089 56.287 0.002 0.000 0.918 1223 K CB 0.866 33.367 32.500 0.002 0.000 1.139 1223 K HN 0.352 nan 8.250 nan 0.000 0.462 1224 V N -0.192 119.723 119.914 0.003 0.000 2.769 1224 V HA 0.477 4.597 4.120 0.001 0.000 0.312 1224 V C 0.296 176.393 176.094 0.005 0.000 1.061 1224 V CA -1.073 61.230 62.300 0.003 0.000 0.931 1224 V CB 1.509 33.334 31.823 0.003 0.000 1.010 1224 V HN 0.731 nan 8.190 nan 0.000 0.433 1225 T N -0.797 113.760 114.554 0.005 0.000 2.813 1225 T HA 0.274 4.625 4.350 0.001 0.000 0.297 1225 T C 0.916 175.620 174.700 0.007 0.000 1.036 1225 T CA 0.697 62.800 62.100 0.006 0.000 1.044 1225 T CB 1.122 69.993 68.868 0.006 0.000 0.993 1225 T HN 0.955 nan 8.240 nan 0.000 0.535 1226 E N 0.673 120.878 120.200 0.008 0.000 2.097 1226 E HA -0.192 4.159 4.350 0.001 0.000 0.196 1226 E C 2.367 178.972 176.600 0.007 0.000 1.000 1226 E CA 1.369 57.775 56.400 0.009 0.000 0.804 1226 E CB -0.596 29.110 29.700 0.011 0.000 0.740 1226 E HN 0.810 nan 8.360 nan 0.000 0.454 1227 A N 0.935 123.759 122.820 0.006 0.000 1.902 1227 A HA -0.235 4.086 4.320 0.001 0.000 0.217 1227 A C 2.070 179.657 177.584 0.004 0.000 1.181 1227 A CA 1.974 54.014 52.037 0.005 0.000 0.623 1227 A CB -0.457 18.545 19.000 0.004 0.000 0.818 1227 A HN 0.110 nan 8.150 nan 0.000 0.443 1228 K N 0.470 120.873 120.400 0.005 0.000 2.025 1228 K HA -0.128 4.192 4.320 0.001 0.000 0.207 1228 K C 2.027 178.630 176.600 0.006 0.000 1.049 1228 K CA 2.064 58.354 56.287 0.005 0.000 0.933 1228 K CB -0.360 32.143 32.500 0.005 0.000 0.714 1228 K HN 0.427 nan 8.250 nan 0.000 0.438 1229 K N 0.180 120.584 120.400 0.006 0.000 2.044 1229 K HA -0.248 4.072 4.320 0.001 0.000 0.210 1229 K C 2.185 178.789 176.600 0.007 0.000 1.049 1229 K CA 2.228 58.519 56.287 0.006 0.000 0.927 1229 K CB -0.251 32.253 32.500 0.007 0.000 0.713 1229 K HN 0.341 nan 8.250 nan 0.000 0.443 1230 E N 1.293 121.497 120.200 0.007 0.000 2.110 1230 E HA -0.225 4.125 4.350 0.001 0.000 0.193 1230 E C 1.711 178.315 176.600 0.006 0.000 0.988 1230 E CA 1.735 58.138 56.400 0.006 0.000 0.804 1230 E CB -0.538 29.164 29.700 0.004 0.000 0.745 1230 E HN 0.680 nan 8.360 nan 0.000 0.458 1231 E N -0.196 120.007 120.200 0.006 0.000 2.047 1231 E HA -0.013 4.338 4.350 0.001 0.000 0.191 1231 E C 2.342 178.949 176.600 0.013 0.000 0.987 1231 E CA 1.011 57.415 56.400 0.007 0.000 0.799 1231 E CB -0.140 29.564 29.700 0.006 0.000 0.752 1231 E HN 0.489 nan 8.360 nan 0.000 0.449 1232 L N 0.695 121.926 121.223 0.013 0.000 2.056 1232 L HA -0.174 4.167 4.340 0.001 0.000 0.207 1232 L C 2.438 179.319 176.870 0.018 0.000 1.078 1232 L CA 0.781 55.631 54.840 0.017 0.000 0.749 1232 L CB -0.273 41.792 42.059 0.009 0.000 0.901 1232 L HN 0.168 nan 8.230 nan 0.000 0.433 1233 L N -0.742 120.489 121.223 0.014 0.000 2.083 1233 L HA -0.193 4.147 4.340 0.001 0.000 0.209 1233 L C 2.830 179.712 176.870 0.020 0.000 1.083 1233 L CA 1.136 55.985 54.840 0.015 0.000 0.752 1233 L CB -0.409 41.658 42.059 0.012 0.000 0.899 1233 L HN 0.208 nan 8.230 nan 0.000 0.433 1234 R N 0.076 120.587 120.500 0.018 0.000 2.081 1234 R HA -0.173 4.168 4.340 0.001 0.000 0.235 1234 R C 2.312 178.629 176.300 0.028 0.000 1.131 1234 R CA 1.357 57.467 56.100 0.017 0.000 0.960 1234 R CB -0.155 30.150 30.300 0.008 0.000 0.856 1234 R HN 0.341 nan 8.270 nan 0.000 0.436 1235 K N 0.478 120.906 120.400 0.047 0.000 2.057 1235 K HA -0.101 4.219 4.320 0.001 0.000 0.206 1235 K C 2.111 178.788 176.600 0.128 0.000 1.050 1235 K CA 1.127 57.484 56.287 0.118 0.000 0.935 1235 K CB -0.124 32.456 32.500 0.133 0.000 0.715 1235 K HN 0.110 nan 8.250 nan 0.000 0.439 1236 L N 1.274 122.529 121.223 0.054 0.000 2.083 1236 L HA -0.202 4.138 4.340 0.001 0.000 0.209 1236 L C 1.909 178.797 176.870 0.030 0.000 1.083 1236 L CA 0.924 55.775 54.840 0.017 0.000 0.752 1236 L CB -0.445 41.614 42.059 0.001 0.000 0.899 1236 L HN 0.209 nan 8.230 nan 0.000 0.433 1237 N N 0.186 118.908 118.700 0.036 0.000 2.166 1237 N HA -0.125 4.616 4.740 0.001 0.000 0.186 1237 N C 1.880 177.414 175.510 0.039 0.000 1.019 1237 N CA 1.343 54.416 53.050 0.039 0.000 0.856 1237 N CB -0.169 38.339 38.487 0.036 0.000 0.993 1237 N HN 0.334 nan 8.380 nan 0.000 0.426 1238 I N 0.233 120.812 120.570 0.016 0.000 2.286 1238 I HA -0.187 3.983 4.170 0.001 0.000 0.245 1238 I C 2.103 178.316 176.117 0.160 0.000 1.104 1238 I CA 0.455 61.697 61.300 -0.096 0.000 1.397 1238 I CB -0.102 37.730 38.000 -0.280 0.000 1.072 1238 I HN 0.037 nan 8.210 nan 0.000 0.417 1239 L N 1.139 122.478 121.223 0.193 0.000 2.083 1239 L HA -0.216 4.125 4.340 0.001 0.000 0.209 1239 L C 2.343 179.314 176.870 0.169 0.000 1.083 1239 L CA 1.832 56.717 54.840 0.074 0.000 0.752 1239 L CB -0.596 41.278 42.059 -0.307 0.000 0.899 1239 L HN 0.147 nan 8.230 nan 0.000 0.433 1240 E N -0.770 119.488 120.200 0.097 0.000 2.171 1240 E HA -0.197 4.153 4.350 0.001 0.000 0.197 1240 E C 2.052 178.717 176.600 0.108 0.000 0.997 1240 E CA 1.522 57.977 56.400 0.091 0.000 0.810 1240 E CB -0.311 29.428 29.700 0.066 0.000 0.738 1240 E HN 0.392 nan 8.360 nan 0.000 0.467 1241 V N 0.015 119.973 119.914 0.074 0.000 2.594 1241 V HA -0.211 3.910 4.120 0.001 0.000 0.253 1241 V C 1.546 177.546 176.094 -0.157 0.000 1.069 1241 V CA 1.614 63.871 62.300 -0.073 0.000 1.082 1241 V CB -0.589 31.130 31.823 -0.173 0.000 0.680 1241 V HN 0.285 nan 8.190 nan 0.000 0.469 1242 F N -0.495 119.544 119.950 0.150 0.000 2.797 1242 F HA 0.206 4.734 4.527 0.001 0.000 0.302 1242 F C 1.473 177.444 175.800 0.285 0.000 1.130 1242 F CA -0.125 58.005 58.000 0.216 0.000 1.387 1242 F CB -0.191 38.922 39.000 0.189 0.000 1.107 1242 F HN -0.034 nan 8.300 nan 0.000 0.577 1243 R N 1.073 121.776 120.500 0.339 0.000 2.590 1243 R HA 0.352 4.692 4.340 0.001 0.000 0.274 1243 R C -0.345 176.138 176.300 0.304 0.000 1.061 1243 R CA -0.174 56.148 56.100 0.371 0.000 1.081 1243 R CB 0.983 31.421 30.300 0.230 0.000 0.984 1243 R HN 0.011 nan 8.270 nan 0.000 0.448 1244 V N -0.659 119.411 119.914 0.260 0.000 2.864 1244 V HA 0.201 4.322 4.120 0.001 0.000 0.314 1244 V C 0.746 176.875 176.094 0.058 0.000 1.073 1244 V CA -0.804 61.544 62.300 0.081 0.000 0.956 1244 V CB 1.798 33.580 31.823 -0.069 0.000 1.023 1244 V HN 0.874 nan 8.190 nan 0.000 0.435 1245 H N 1.945 121.007 119.070 -0.014 0.000 2.428 1245 H HA 0.270 4.827 4.556 0.001 0.000 0.296 1245 H C 0.796 176.098 175.328 -0.043 0.000 1.062 1245 H CA 2.122 58.163 56.048 -0.011 0.000 1.350 1245 H CB 0.350 30.109 29.762 -0.006 0.000 1.403 1245 H HN 0.766 nan 8.280 nan 0.000 0.533 1246 K N 0.097 120.442 120.400 -0.091 0.000 2.513 1246 K HA 0.322 4.642 4.320 0.001 0.000 0.251 1246 K C -1.634 174.859 176.600 -0.179 0.000 0.939 1246 K CA -0.782 55.412 56.287 -0.155 0.000 0.793 1246 K CB 2.066 34.527 32.500 -0.065 0.000 1.241 1246 K HN -0.066 nan 8.250 nan 0.000 0.431 1247 V N 3.553 123.326 119.914 -0.234 0.000 2.455 1247 V HA 0.109 4.230 4.120 0.001 0.000 0.273 1247 V C 0.969 176.989 176.094 -0.123 0.000 1.045 1247 V CA 0.058 62.211 62.300 -0.245 0.000 0.976 1247 V CB 1.036 32.687 31.823 -0.288 0.000 0.993 1247 V HN 1.015 nan 8.190 nan 0.000 0.475 1248 T N 3.311 117.810 114.554 -0.092 0.000 2.955 1248 T HA 0.142 4.492 4.350 0.001 0.000 0.251 1248 T C 0.831 175.509 174.700 -0.037 0.000 1.002 1248 T CA -0.036 62.033 62.100 -0.051 0.000 0.970 1248 T CB 0.035 68.881 68.868 -0.037 0.000 1.091 1248 T HN 0.569 nan 8.240 nan 0.000 0.495 1249 K N 2.383 122.761 120.400 -0.038 0.000 2.218 1249 K HA 0.285 4.605 4.320 0.001 0.000 0.276 1249 K C -0.498 176.095 176.600 -0.012 0.000 1.022 1249 K CA -0.205 56.070 56.287 -0.020 0.000 0.946 1249 K CB 0.730 33.221 32.500 -0.015 0.000 1.000 1249 K HN 0.119 nan 8.250 nan 0.000 0.468 1250 T N 2.386 116.936 114.554 -0.007 0.000 2.940 1250 T HA 0.166 4.517 4.350 0.001 0.000 0.309 1250 T C 0.267 174.970 174.700 0.006 0.000 1.056 1250 T CA -0.362 61.736 62.100 -0.002 0.000 1.137 1250 T CB 1.164 70.030 68.868 -0.004 0.000 0.976 1250 T HN 0.686 nan 8.240 nan 0.000 0.547 1251 A N 0.000 122.828 122.820 0.013 0.000 2.254 1251 A HA 0.000 4.320 4.320 0.001 0.000 0.244 1251 A CA 0.000 52.052 52.037 0.024 0.000 0.836 1251 A CB 0.000 19.023 19.000 0.038 0.000 0.831 1251 A HN 0.000 nan 8.150 nan 0.000 0.486