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 3ctj_1_A DATA FIRST_RESID 1051 DATA SEQUENCE VHIDLSALNP ELVQAVQHVV IGPSSLIVHF NEVIGRGHFG CVYHGTLLDN DATA SEQUENCE DGKKIHCAVK SLNRITDIGE VSQFLTEGII MKDFSHPNVL SLLGICLRSE DATA SEQUENCE GSPLVVLPYM KHGDLRNFIR NETHNPTVKD LIGFGLQVAK GMKFLASKKF DATA SEQUENCE VHRDLAARNC MLDEKFTVKV ADFXXXXXXX XXXXXXXXXX XXXXLPVKWM DATA SEQUENCE ALESLQTQKF TTKSDVWSFG VLLWELMTRG APPYPDVNTF DITVYLLQGR DATA SEQUENCE RLLQPEYCPD PLYEVMLKCW HPKAEMRPSF SELVSRISAI FSTFIGEHYV DATA SEQUENCE HVNATYVNVK 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 1051 V HA 0.000 nan 4.120 nan 0.000 0.244 1051 V C 0.000 175.824 176.094 -0.450 0.000 1.182 1051 V CA 0.000 62.105 62.300 -0.326 0.000 1.235 1051 V CB 0.000 31.730 31.823 -0.154 0.000 1.184 1052 H N 4.330 123.384 119.070 -0.028 0.000 2.503 1052 H HA 0.618 5.173 4.556 -0.002 0.000 0.296 1052 H C 0.051 175.363 175.328 -0.025 0.000 1.097 1052 H CA 0.215 56.248 56.048 -0.024 0.000 1.055 1052 H CB 0.836 30.585 29.762 -0.022 0.000 1.580 1052 H HN 0.732 nan 8.280 nan 0.000 0.546 1053 I N 0.587 121.168 120.570 0.018 0.000 2.474 1053 I HA 0.208 4.378 4.170 -0.001 0.000 0.294 1053 I C -0.739 175.372 176.117 -0.009 0.000 1.005 1053 I CA -1.071 60.232 61.300 0.006 0.000 1.113 1053 I CB 1.446 39.438 38.000 -0.013 0.000 1.289 1053 I HN 0.018 nan 8.210 nan 0.000 0.436 1054 D N 6.935 127.334 120.400 -0.003 0.000 2.344 1054 D HA 0.081 4.720 4.640 -0.001 0.000 0.253 1054 D C 0.428 176.721 176.300 -0.012 0.000 1.255 1054 D CA -0.089 53.907 54.000 -0.007 0.000 0.894 1054 D CB 1.050 41.849 40.800 -0.003 0.000 1.067 1054 D HN 0.450 nan 8.370 nan 0.000 0.492 1055 L N 2.816 124.029 121.223 -0.016 0.000 2.253 1055 L HA 0.083 4.423 4.340 -0.001 0.000 0.205 1055 L C 2.124 178.988 176.870 -0.010 0.000 1.078 1055 L CA 0.821 55.652 54.840 -0.016 0.000 0.805 1055 L CB -0.891 41.155 42.059 -0.021 0.000 0.963 1055 L HN 0.317 nan 8.230 nan 0.000 0.459 1056 S N -0.226 115.468 115.700 -0.009 0.000 2.653 1056 S HA 0.037 4.506 4.470 -0.001 0.000 0.233 1056 S C 1.710 176.307 174.600 -0.005 0.000 0.970 1056 S CA 0.650 58.846 58.200 -0.006 0.000 0.947 1056 S CB -0.180 63.017 63.200 -0.007 0.000 0.771 1056 S HN 0.413 nan 8.310 nan 0.000 0.538 1057 A N 0.285 123.101 122.820 -0.005 0.000 2.275 1057 A HA 0.323 4.643 4.320 -0.001 0.000 0.212 1057 A C 1.406 178.987 177.584 -0.004 0.000 1.201 1057 A CA -0.083 51.952 52.037 -0.005 0.000 0.843 1057 A CB -0.119 18.878 19.000 -0.005 0.000 0.873 1057 A HN 0.434 nan 8.150 nan 0.000 0.492 1058 L N 0.187 121.408 121.223 -0.003 0.000 1.995 1058 L HA -0.141 4.198 4.340 -0.001 0.000 0.241 1058 L C 0.026 176.896 176.870 0.000 0.000 1.004 1058 L CA 1.379 56.218 54.840 -0.001 0.000 1.347 1058 L CB -0.156 41.904 42.059 0.001 0.000 1.174 1058 L HN 0.677 nan 8.230 nan 0.000 0.570 1059 N N -1.856 116.845 118.700 0.002 0.000 2.969 1059 N HA 0.132 4.871 4.740 -0.001 0.000 0.230 1059 N C -2.288 173.223 175.510 0.003 0.000 1.397 1059 N CA -0.997 52.054 53.050 0.002 0.000 0.762 1059 N CB 0.197 38.685 38.487 0.002 0.000 1.495 1059 N HN 0.003 nan 8.380 nan 0.000 0.583 1060 P HA -0.267 nan 4.420 nan 0.000 0.216 1060 P C 0.861 178.162 177.300 0.001 0.000 1.167 1060 P CA 1.642 64.743 63.100 0.002 0.000 0.914 1060 P CB 0.566 32.266 31.700 -0.000 0.000 0.793 1061 E N -1.169 119.031 120.200 0.000 0.000 2.274 1061 E HA -0.023 4.326 4.350 -0.001 0.000 0.194 1061 E C 2.190 178.791 176.600 0.001 0.000 0.996 1061 E CA 0.407 56.807 56.400 -0.000 0.000 0.840 1061 E CB -0.646 29.053 29.700 -0.001 0.000 0.772 1061 E HN 0.196 nan 8.360 nan 0.000 0.491 1062 L N -0.606 120.618 121.223 0.002 0.000 2.049 1062 L HA -0.036 4.303 4.340 -0.001 0.000 0.203 1062 L C 1.034 177.907 176.870 0.005 0.000 1.074 1062 L CA 0.675 55.517 54.840 0.003 0.000 0.749 1062 L CB 0.266 42.327 42.059 0.004 0.000 0.907 1062 L HN 0.023 nan 8.230 nan 0.000 0.439 1063 V N -1.469 118.449 119.914 0.007 0.000 3.063 1063 V HA 0.169 4.289 4.120 -0.001 0.000 0.379 1063 V C 0.340 176.442 176.094 0.012 0.000 1.310 1063 V CA -0.365 61.941 62.300 0.010 0.000 1.333 1063 V CB -0.452 31.380 31.823 0.016 0.000 1.331 1063 V HN 0.271 nan 8.190 nan 0.000 0.527 1064 Q N 1.936 121.741 119.800 0.009 0.000 2.271 1064 Q HA 0.456 4.795 4.340 -0.001 0.000 0.273 1064 Q C 0.879 176.893 176.000 0.023 0.000 1.051 1064 Q CA 0.822 56.632 55.803 0.010 0.000 0.901 1064 Q CB 0.571 29.311 28.738 0.002 0.000 1.174 1064 Q HN 0.946 nan 8.270 nan 0.000 0.385 1065 A N 2.741 125.583 122.820 0.035 0.000 3.666 1065 A HA -0.119 4.201 4.320 -0.001 0.000 0.212 1065 A C 0.402 178.036 177.584 0.082 0.000 1.299 1065 A CA 0.343 52.429 52.037 0.081 0.000 0.969 1065 A CB -1.841 17.226 19.000 0.113 0.000 1.052 1065 A HN 0.574 nan 8.150 nan 0.000 0.672 1066 V N -0.707 119.234 119.914 0.046 0.000 3.306 1066 V HA -0.066 4.053 4.120 -0.001 0.000 0.264 1066 V C 2.134 178.245 176.094 0.028 0.000 1.149 1066 V CA 2.346 64.663 62.300 0.027 0.000 1.143 1066 V CB 0.447 32.286 31.823 0.028 0.000 0.767 1066 V HN 0.725 nan 8.190 nan 0.000 0.476 1067 Q N -1.058 118.770 119.800 0.047 0.000 2.356 1067 Q HA -0.005 4.334 4.340 -0.001 0.000 0.205 1067 Q C 1.979 178.028 176.000 0.082 0.000 0.901 1067 Q CA 0.536 56.366 55.803 0.045 0.000 0.938 1067 Q CB -0.207 28.553 28.738 0.037 0.000 1.081 1067 Q HN 0.816 nan 8.270 nan 0.000 0.517 1068 H N -1.691 117.372 119.070 -0.012 0.000 2.470 1068 H HA 0.061 4.616 4.556 -0.001 0.000 0.289 1068 H C 0.240 175.558 175.328 -0.016 0.000 1.033 1068 H CA 1.012 57.052 56.048 -0.014 0.000 1.331 1068 H CB 0.731 30.484 29.762 -0.016 0.000 1.414 1068 H HN 0.121 nan 8.280 nan 0.000 0.545 1069 V N 2.694 122.508 119.914 -0.167 0.000 2.759 1069 V HA 0.269 4.389 4.120 -0.001 0.000 0.342 1069 V C -0.454 175.580 176.094 -0.100 0.000 1.228 1069 V CA -0.321 61.844 62.300 -0.227 0.000 1.302 1069 V CB 0.428 32.091 31.823 -0.267 0.000 1.496 1069 V HN 0.186 nan 8.190 nan 0.000 0.628 1070 V N 3.845 123.728 119.914 -0.051 0.000 2.617 1070 V HA 0.642 4.762 4.120 -0.001 0.000 0.298 1070 V C -0.215 175.863 176.094 -0.026 0.000 1.048 1070 V CA -0.393 61.892 62.300 -0.026 0.000 0.964 1070 V CB 1.900 33.721 31.823 -0.004 0.000 1.004 1070 V HN 0.599 nan 8.190 nan 0.000 0.466 1071 I N 4.104 124.661 120.570 -0.020 0.000 2.411 1071 I HA 0.746 4.915 4.170 -0.001 0.000 0.284 1071 I C 0.583 176.694 176.117 -0.010 0.000 1.012 1071 I CA -0.424 60.865 61.300 -0.018 0.000 1.119 1071 I CB 1.051 39.036 38.000 -0.024 0.000 1.261 1071 I HN 0.693 nan 8.210 nan 0.000 0.448 1072 G N 6.123 114.919 108.800 -0.007 0.000 2.138 1072 G HA2 0.143 4.102 3.960 -0.001 0.000 0.244 1072 G HA3 0.143 4.102 3.960 -0.001 0.000 0.244 1072 G C -2.135 172.764 174.900 -0.003 0.000 1.166 1072 G CA -0.663 44.435 45.100 -0.003 0.000 0.902 1072 G HN 0.636 nan 8.290 nan 0.000 0.460 1073 P HA 0.072 nan 4.420 nan 0.000 0.233 1073 P C 0.492 177.794 177.300 0.004 0.000 1.576 1073 P CA 0.591 63.693 63.100 0.003 0.000 0.962 1073 P CB 0.042 31.745 31.700 0.005 0.000 1.859 1074 S N -2.266 113.434 115.700 0.001 0.000 2.961 1074 S HA -0.030 4.440 4.470 -0.001 0.000 0.253 1074 S C 1.416 176.015 174.600 -0.001 0.000 1.029 1074 S CA -0.099 58.102 58.200 0.002 0.000 1.087 1074 S CB -0.356 62.845 63.200 0.003 0.000 0.932 1074 S HN 0.188 nan 8.310 nan 0.000 0.418 1075 S N 1.036 116.733 115.700 -0.004 0.000 2.603 1075 S HA 0.256 4.725 4.470 -0.001 0.000 0.229 1075 S C 0.116 174.710 174.600 -0.011 0.000 0.972 1075 S CA 0.164 58.361 58.200 -0.006 0.000 0.935 1075 S CB -0.378 62.817 63.200 -0.008 0.000 0.769 1075 S HN 0.346 nan 8.310 nan 0.000 0.536 1076 L N 1.409 122.622 121.223 -0.017 0.000 2.381 1076 L HA 0.658 4.997 4.340 -0.001 0.000 0.268 1076 L C -1.307 175.532 176.870 -0.051 0.000 0.997 1076 L CA -0.541 54.277 54.840 -0.036 0.000 0.818 1076 L CB 1.709 43.743 42.059 -0.042 0.000 1.310 1076 L HN -0.010 nan 8.230 nan 0.000 0.416 1077 I N 5.413 125.925 120.570 -0.096 0.000 2.499 1077 I HA 0.433 4.603 4.170 -0.001 0.000 0.288 1077 I C -0.879 175.001 176.117 -0.394 0.000 1.048 1077 I CA -0.865 60.347 61.300 -0.148 0.000 1.062 1077 I CB 1.948 39.912 38.000 -0.060 0.000 1.238 1077 I HN 0.283 nan 8.210 nan 0.000 0.426 1078 V N 4.961 124.618 119.914 -0.428 0.000 2.532 1078 V HA 0.336 4.455 4.120 -0.001 0.000 0.295 1078 V C -0.084 175.585 176.094 -0.710 0.000 1.041 1078 V CA -0.642 61.215 62.300 -0.738 0.000 0.926 1078 V CB 1.535 32.758 31.823 -0.999 0.000 0.992 1078 V HN 0.596 nan 8.190 nan 0.000 0.457 1079 H N 4.925 123.848 119.070 -0.244 0.000 2.410 1079 H HA 0.279 4.835 4.556 -0.001 0.000 0.232 1079 H C 0.402 175.728 175.328 -0.003 0.000 1.535 1079 H CA -0.676 55.334 56.048 -0.064 0.000 1.310 1079 H CB -0.045 29.713 29.762 -0.006 0.000 1.518 1079 H HN 0.609 nan 8.280 nan 0.000 0.545 1080 F N 1.539 121.652 119.950 0.272 0.000 2.481 1080 F HA -0.211 4.315 4.527 -0.001 0.000 0.297 1080 F C 1.803 177.583 175.800 -0.033 0.000 1.095 1080 F CA 1.119 59.333 58.000 0.356 0.000 1.465 1080 F CB -0.450 38.747 39.000 0.327 0.000 1.098 1080 F HN 0.475 nan 8.300 nan 0.000 0.585 1081 N N -0.061 118.720 118.700 0.134 0.000 2.422 1081 N HA -0.019 4.720 4.740 -0.001 0.000 0.181 1081 N C -0.402 175.072 175.510 -0.060 0.000 1.080 1081 N CA 0.238 53.300 53.050 0.021 0.000 0.893 1081 N CB -0.204 38.320 38.487 0.062 0.000 0.973 1081 N HN 0.195 nan 8.380 nan 0.000 0.456 1082 E N 0.894 121.067 120.200 -0.045 0.000 2.186 1082 E HA 0.304 4.653 4.350 -0.001 0.000 0.255 1082 E C -1.112 175.458 176.600 -0.050 0.000 0.881 1082 E CA -0.897 55.520 56.400 0.028 0.000 0.752 1082 E CB 2.270 32.078 29.700 0.179 0.000 1.176 1082 E HN 0.177 nan 8.360 nan 0.000 0.421 1083 V N 2.016 121.824 119.914 -0.178 0.000 2.769 1083 V HA 0.565 4.684 4.120 -0.001 0.000 0.312 1083 V C 0.065 176.125 176.094 -0.056 0.000 1.058 1083 V CA -0.349 61.838 62.300 -0.189 0.000 0.952 1083 V CB 1.122 32.750 31.823 -0.324 0.000 1.019 1083 V HN 0.765 nan 8.190 nan 0.000 0.445 1084 I N 1.705 122.248 120.570 -0.046 0.000 4.655 1084 I HA 0.575 4.745 4.170 -0.001 0.000 0.333 1084 I C 1.025 177.177 176.117 0.058 0.000 1.312 1084 I CA 0.215 61.508 61.300 -0.012 0.000 1.270 1084 I CB 0.206 38.144 38.000 -0.104 0.000 1.318 1084 I HN 0.721 nan 8.210 nan 0.000 0.456 1085 G N 2.049 110.895 108.800 0.076 0.000 2.335 1085 G HA2 0.665 4.624 3.960 -0.001 0.000 0.314 1085 G HA3 0.665 4.624 3.960 -0.001 0.000 0.314 1085 G C -0.941 174.013 174.900 0.089 0.000 1.129 1085 G CA -0.476 44.677 45.100 0.089 0.000 0.912 1085 G HN 0.130 nan 8.290 nan 0.000 0.443 1086 R N 1.906 122.458 120.500 0.086 0.000 2.468 1086 R HA 0.656 4.995 4.340 -0.001 0.000 0.302 1086 R C -0.049 176.295 176.300 0.073 0.000 1.041 1086 R CA -0.070 56.077 56.100 0.077 0.000 0.899 1086 R CB 1.161 31.500 30.300 0.064 0.000 1.167 1086 R HN 0.852 nan 8.270 nan 0.000 0.483 1087 G N 0.518 109.372 108.800 0.089 0.000 2.645 1087 G HA2 0.122 4.081 3.960 -0.001 0.000 0.292 1087 G HA3 0.122 4.081 3.960 -0.001 0.000 0.292 1087 G C -0.542 174.477 174.900 0.198 0.000 1.415 1087 G CA -0.569 44.599 45.100 0.113 0.000 0.785 1087 G HN 0.514 nan 8.290 nan 0.000 0.483 1088 H N -0.941 118.196 119.070 0.113 0.000 2.492 1088 H HA 0.038 4.593 4.556 -0.001 0.000 0.296 1088 H C 0.032 175.504 175.328 0.240 0.000 1.095 1088 H CA 1.442 57.575 56.048 0.143 0.000 1.281 1088 H CB -0.038 29.800 29.762 0.128 0.000 1.374 1088 H HN 0.290 nan 8.280 nan 0.000 0.545 1089 F N -1.379 118.674 119.950 0.173 0.000 2.693 1089 F HA 0.464 4.990 4.527 -0.000 0.000 0.309 1089 F C -0.669 175.205 175.800 0.123 0.000 1.129 1089 F CA -0.156 57.909 58.000 0.109 0.000 0.948 1089 F CB 1.289 40.328 39.000 0.065 0.000 1.315 1089 F HN 0.150 nan 8.300 nan 0.000 0.447 1090 G N 2.436 110.618 108.800 -1.029 0.000 2.768 1090 G HA2 0.027 3.987 3.960 -0.001 0.000 0.666 1090 G HA3 0.027 3.987 3.960 -0.001 0.000 0.666 1090 G C -1.399 173.346 174.900 -0.258 0.000 1.162 1090 G CA -0.570 44.028 45.100 -0.837 0.000 1.226 1090 G HN 1.048 nan 8.290 nan 0.000 0.535 1091 C N 3.596 122.798 119.300 -0.164 0.000 2.184 1091 C HA 0.607 5.066 4.460 -0.001 0.000 0.328 1091 C C 0.776 175.735 174.990 -0.051 0.000 1.081 1091 C CA -0.448 58.585 59.018 0.026 0.000 1.533 1091 C CB -0.711 27.077 27.740 0.080 0.000 1.905 1091 C HN 0.727 nan 8.230 nan 0.000 0.439 1092 V N 6.811 126.767 119.914 0.069 0.000 2.370 1092 V HA 0.477 4.597 4.120 -0.001 0.000 0.283 1092 V C -0.572 175.704 176.094 0.303 0.000 1.023 1092 V CA -0.632 61.697 62.300 0.047 0.000 0.857 1092 V CB 0.673 32.476 31.823 -0.033 0.000 0.985 1092 V HN 0.576 nan 8.190 nan 0.000 0.443 1093 Y N 2.005 122.236 120.300 -0.114 0.000 2.528 1093 Y HA 0.554 5.103 4.550 -0.001 0.000 0.335 1093 Y C 0.820 176.615 175.900 -0.175 0.000 1.093 1093 Y CA -1.795 56.227 58.100 -0.130 0.000 1.134 1093 Y CB 0.851 39.246 38.460 -0.108 0.000 1.253 1093 Y HN 0.579 nan 8.280 nan 0.000 0.478 1094 H N 0.019 119.167 119.070 0.130 0.000 2.771 1094 H HA 0.477 5.032 4.556 -0.001 0.000 0.364 1094 H C 0.285 175.706 175.328 0.154 0.000 1.133 1094 H CA 0.569 56.666 56.048 0.081 0.000 1.423 1094 H CB 0.956 30.783 29.762 0.109 0.000 1.425 1094 H HN 0.812 nan 8.280 nan 0.000 0.606 1095 G N 0.063 109.011 108.800 0.247 0.000 2.677 1095 G HA2 0.383 4.343 3.960 -0.001 0.000 0.291 1095 G HA3 0.383 4.343 3.960 -0.001 0.000 0.291 1095 G C -1.226 173.787 174.900 0.189 0.000 1.435 1095 G CA -0.483 44.587 45.100 -0.050 0.000 0.826 1095 G HN 0.502 nan 8.290 nan 0.000 0.491 1096 T N 0.523 115.109 114.554 0.055 0.000 2.879 1096 T HA 0.559 4.908 4.350 -0.001 0.000 0.290 1096 T C -0.920 173.796 174.700 0.026 0.000 0.993 1096 T CA -0.307 61.876 62.100 0.139 0.000 0.975 1096 T CB 1.214 70.206 68.868 0.207 0.000 0.981 1096 T HN 0.788 nan 8.240 nan 0.000 0.439 1097 L N 4.258 125.501 121.223 0.032 0.000 2.372 1097 L HA 0.676 5.015 4.340 -0.001 0.000 0.274 1097 L C -1.479 175.398 176.870 0.012 0.000 0.988 1097 L CA -0.957 53.886 54.840 0.005 0.000 0.833 1097 L CB 0.733 42.787 42.059 -0.009 0.000 1.236 1097 L HN 0.396 nan 8.230 nan 0.000 0.410 1098 L N 4.604 125.831 121.223 0.007 0.000 2.454 1098 L HA 0.259 4.598 4.340 -0.001 0.000 0.284 1098 L C 0.274 177.145 176.870 0.001 0.000 1.139 1098 L CA 0.210 55.054 54.840 0.007 0.000 0.911 1098 L CB -0.234 41.829 42.059 0.006 0.000 1.262 1098 L HN 0.758 nan 8.230 nan 0.000 0.453 1099 D N 1.790 122.191 120.400 0.001 0.000 2.361 1099 D HA 0.132 4.771 4.640 -0.001 0.000 0.239 1099 D C 0.841 177.139 176.300 -0.004 0.000 1.200 1099 D CA -0.073 53.925 54.000 -0.003 0.000 0.915 1099 D CB 0.479 41.277 40.800 -0.004 0.000 1.170 1099 D HN 0.581 nan 8.370 nan 0.000 0.444 1100 N N 0.551 119.248 118.700 -0.006 0.000 2.158 1100 N HA -0.335 4.404 4.740 -0.001 0.000 0.156 1100 N C -0.278 175.231 175.510 -0.003 0.000 0.401 1100 N CA 1.941 54.988 53.050 -0.005 0.000 1.448 1100 N CB -0.841 37.643 38.487 -0.004 0.000 1.330 1100 N HN 0.711 nan 8.380 nan 0.000 0.408 1101 D N -1.071 119.328 120.400 -0.002 0.000 2.682 1101 D HA 0.286 4.925 4.640 -0.001 0.000 0.291 1101 D C 0.475 176.775 176.300 -0.001 0.000 1.585 1101 D CA 0.605 54.605 54.000 -0.001 0.000 0.845 1101 D CB 0.266 41.066 40.800 -0.001 0.000 1.323 1101 D HN 0.430 nan 8.370 nan 0.000 0.438 1102 G N 0.402 109.202 108.800 -0.001 0.000 2.549 1102 G HA2 0.215 4.175 3.960 -0.001 0.000 0.219 1102 G HA3 0.215 4.175 3.960 -0.001 0.000 0.219 1102 G C 0.285 175.185 174.900 0.000 0.000 1.677 1102 G CA 0.097 45.197 45.100 -0.001 0.000 0.929 1102 G HN 0.066 nan 8.290 nan 0.000 0.549 1103 K N -0.187 120.214 120.400 0.001 0.000 2.518 1103 K HA -0.006 4.314 4.320 -0.001 0.000 0.153 1103 K C -0.560 176.044 176.600 0.006 0.000 1.748 1103 K CA -0.259 56.029 56.287 0.002 0.000 0.592 1103 K CB -0.259 32.241 32.500 0.000 0.000 1.368 1103 K HN 0.533 nan 8.250 nan 0.000 0.331 1104 K N 1.659 122.063 120.400 0.006 0.000 2.484 1104 K HA 0.143 4.463 4.320 -0.001 0.000 0.280 1104 K C -0.642 175.973 176.600 0.026 0.000 1.013 1104 K CA 0.299 56.594 56.287 0.014 0.000 1.029 1104 K CB 0.563 33.067 32.500 0.007 0.000 0.902 1104 K HN 0.253 nan 8.250 nan 0.000 0.481 1105 I N 3.474 124.070 120.570 0.044 0.000 2.466 1105 I HA 0.116 4.285 4.170 -0.001 0.000 0.289 1105 I C -0.760 175.439 176.117 0.137 0.000 1.026 1105 I CA -1.146 60.196 61.300 0.070 0.000 1.078 1105 I CB 1.361 39.386 38.000 0.042 0.000 1.249 1105 I HN 0.769 nan 8.210 nan 0.000 0.429 1106 H N 6.618 125.709 119.070 0.035 0.000 2.722 1106 H HA 0.510 5.065 4.556 -0.001 0.000 0.328 1106 H C -0.752 174.635 175.328 0.098 0.000 1.067 1106 H CA -0.821 55.257 56.048 0.051 0.000 1.447 1106 H CB 0.740 30.536 29.762 0.057 0.000 1.469 1106 H HN 0.736 nan 8.280 nan 0.000 0.544 1107 C N 2.358 121.662 119.300 0.006 0.000 3.332 1107 C HA 0.896 5.356 4.460 -0.001 0.000 0.329 1107 C C -0.588 174.354 174.990 -0.080 0.000 1.434 1107 C CA -0.771 58.226 59.018 -0.036 0.000 1.314 1107 C CB 0.704 28.442 27.740 -0.003 0.000 1.664 1107 C HN 1.007 nan 8.230 nan 0.000 0.457 1108 A N 1.054 123.855 122.820 -0.031 0.000 2.273 1108 A HA 0.724 5.043 4.320 -0.001 0.000 0.315 1108 A C -0.480 177.059 177.584 -0.074 0.000 1.256 1108 A CA -0.369 51.641 52.037 -0.045 0.000 0.851 1108 A CB 0.383 19.377 19.000 -0.010 0.000 1.172 1108 A HN 1.496 nan 8.150 nan 0.000 0.508 1109 V N 2.525 122.384 119.914 -0.091 0.000 2.465 1109 V HA 0.334 4.453 4.120 -0.001 0.000 0.279 1109 V C 0.397 176.432 176.094 -0.098 0.000 1.045 1109 V CA -0.598 61.642 62.300 -0.101 0.000 0.938 1109 V CB 1.226 32.962 31.823 -0.146 0.000 0.986 1109 V HN 0.812 nan 8.190 nan 0.000 0.467 1110 K N 3.275 123.648 120.400 -0.045 0.000 2.281 1110 K HA 0.489 4.808 4.320 -0.001 0.000 0.272 1110 K C 0.069 176.800 176.600 0.219 0.000 1.048 1110 K CA -0.069 56.226 56.287 0.013 0.000 0.898 1110 K CB 1.352 33.812 32.500 -0.067 0.000 1.128 1110 K HN 0.978 nan 8.250 nan 0.000 0.460 1111 S N 3.515 119.273 115.700 0.097 0.000 2.704 1111 S HA 0.632 5.101 4.470 -0.001 0.000 0.305 1111 S C -0.398 174.276 174.600 0.123 0.000 1.107 1111 S CA -0.934 57.300 58.200 0.057 0.000 0.993 1111 S CB 1.416 64.555 63.200 -0.101 0.000 1.110 1111 S HN 0.512 nan 8.310 nan 0.000 0.534 1112 L N 0.769 121.949 121.223 -0.071 0.000 2.309 1112 L HA 0.566 4.905 4.340 -0.001 0.000 0.261 1112 L C -1.117 175.759 176.870 0.011 0.000 1.021 1112 L CA -1.154 53.711 54.840 0.042 0.000 0.823 1112 L CB 2.069 43.927 42.059 -0.335 0.000 1.366 1112 L HN 0.741 nan 8.230 nan 0.000 0.423 1113 N N 2.158 120.893 118.700 0.057 0.000 2.438 1113 N HA 0.281 5.020 4.740 -0.001 0.000 0.282 1113 N C -0.609 174.874 175.510 -0.045 0.000 1.037 1113 N CA -0.714 52.348 53.050 0.020 0.000 0.942 1113 N CB 1.017 39.542 38.487 0.064 0.000 1.136 1113 N HN 0.380 nan 8.380 nan 0.000 0.481 1114 R N 1.768 122.245 120.500 -0.038 0.000 2.478 1114 R HA -0.064 4.275 4.340 -0.001 0.000 0.281 1114 R C 1.063 177.333 176.300 -0.049 0.000 0.939 1114 R CA 0.377 56.450 56.100 -0.045 0.000 1.120 1114 R CB -0.840 29.446 30.300 -0.023 0.000 0.885 1114 R HN 0.928 nan 8.270 nan 0.000 0.415 1115 I N -2.072 118.464 120.570 -0.058 0.000 9.267 1115 I HA -0.375 3.794 4.170 -0.001 0.000 0.126 1115 I C 0.208 176.275 176.117 -0.084 0.000 1.860 1115 I CA 1.221 62.486 61.300 -0.058 0.000 2.054 1115 I CB -0.769 37.209 38.000 -0.038 0.000 3.968 1115 I HN 0.665 nan 8.210 nan 0.000 0.174 1116 T N 0.976 115.479 114.554 -0.085 0.000 3.332 1116 T HA 0.192 4.542 4.350 -0.001 0.000 0.367 1116 T C 0.326 174.993 174.700 -0.054 0.000 1.244 1116 T CA 0.642 62.706 62.100 -0.060 0.000 0.977 1116 T CB -0.056 68.778 68.868 -0.057 0.000 1.784 1116 T HN 0.842 nan 8.240 nan 0.000 0.553 1117 D N 0.564 120.939 120.400 -0.041 0.000 1.998 1117 D HA -0.066 4.573 4.640 -0.001 0.000 0.237 1117 D C 1.266 177.543 176.300 -0.038 0.000 1.289 1117 D CA -0.218 53.762 54.000 -0.033 0.000 0.939 1117 D CB -0.156 40.628 40.800 -0.025 0.000 1.437 1117 D HN 0.246 nan 8.370 nan 0.000 0.544 1118 I N 0.843 121.396 120.570 -0.028 0.000 3.164 1118 I HA -0.054 4.115 4.170 -0.001 0.000 0.278 1118 I C 1.923 178.025 176.117 -0.024 0.000 1.320 1118 I CA 0.624 61.909 61.300 -0.025 0.000 1.422 1118 I CB -1.225 36.765 38.000 -0.017 0.000 1.066 1118 I HN 0.385 nan 8.210 nan 0.000 0.503 1119 G N -0.363 108.419 108.800 -0.031 0.000 2.404 1119 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.213 1119 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.213 1119 G C 1.531 176.409 174.900 -0.037 0.000 1.189 1119 G CA 0.197 45.279 45.100 -0.030 0.000 0.796 1119 G HN 0.420 nan 8.290 nan 0.000 0.532 1120 E N -0.140 120.021 120.200 -0.065 0.000 2.153 1120 E HA -0.072 4.278 4.350 -0.001 0.000 0.194 1120 E C 2.671 179.243 176.600 -0.047 0.000 0.988 1120 E CA 0.579 56.922 56.400 -0.096 0.000 0.811 1120 E CB -0.025 29.579 29.700 -0.160 0.000 0.746 1120 E HN 0.265 nan 8.360 nan 0.000 0.466 1121 V N 0.225 120.112 119.914 -0.044 0.000 2.427 1121 V HA -0.210 3.909 4.120 -0.001 0.000 0.248 1121 V C 2.306 178.435 176.094 0.059 0.000 1.051 1121 V CA 1.543 63.831 62.300 -0.020 0.000 1.048 1121 V CB -0.086 31.710 31.823 -0.046 0.000 0.666 1121 V HN 0.201 nan 8.190 nan 0.000 0.456 1122 S N -0.943 114.778 115.700 0.034 0.000 2.368 1122 S HA -0.216 4.253 4.470 -0.001 0.000 0.224 1122 S C 1.995 176.630 174.600 0.059 0.000 1.029 1122 S CA 1.649 59.873 58.200 0.041 0.000 0.988 1122 S CB -0.078 63.131 63.200 0.015 0.000 0.838 1122 S HN 0.690 nan 8.310 nan 0.000 0.462 1123 Q N -0.445 119.388 119.800 0.056 0.000 2.046 1123 Q HA -0.070 4.270 4.340 -0.001 0.000 0.200 1123 Q C 1.889 177.950 176.000 0.103 0.000 0.975 1123 Q CA 1.675 57.511 55.803 0.055 0.000 0.836 1123 Q CB -0.353 28.401 28.738 0.027 0.000 0.896 1123 Q HN 0.652 nan 8.270 nan 0.000 0.428 1124 F N 1.188 121.136 119.950 -0.003 0.000 2.126 1124 F HA -0.246 4.280 4.527 -0.001 0.000 0.299 1124 F C 1.683 177.497 175.800 0.023 0.000 1.096 1124 F CA 1.331 59.359 58.000 0.046 0.000 1.255 1124 F CB 0.016 39.048 39.000 0.054 0.000 0.997 1124 F HN -0.029 nan 8.300 nan 0.000 0.479 1125 L N -0.658 120.731 121.223 0.277 0.000 2.044 1125 L HA -0.183 4.156 4.340 -0.001 0.000 0.205 1125 L C 2.400 179.264 176.870 -0.010 0.000 1.075 1125 L CA 1.671 56.590 54.840 0.132 0.000 0.747 1125 L CB -1.189 40.959 42.059 0.148 0.000 0.903 1125 L HN 0.096 nan 8.230 nan 0.000 0.435 1126 T N -0.192 114.366 114.554 0.005 0.000 2.788 1126 T HA -0.191 4.159 4.350 -0.001 0.000 0.268 1126 T C 1.521 176.182 174.700 -0.065 0.000 1.044 1126 T CA 1.666 63.752 62.100 -0.023 0.000 1.139 1126 T CB -0.243 68.624 68.868 -0.002 0.000 0.867 1126 T HN 0.473 nan 8.240 nan 0.000 0.454 1127 E N 1.083 121.235 120.200 -0.081 0.000 2.516 1127 E HA 0.084 4.433 4.350 -0.001 0.000 0.199 1127 E C 1.785 178.268 176.600 -0.195 0.000 1.069 1127 E CA 0.978 57.310 56.400 -0.114 0.000 0.876 1127 E CB -0.534 29.108 29.700 -0.096 0.000 0.843 1127 E HN 0.461 nan 8.360 nan 0.000 0.530 1128 G N 0.395 109.065 108.800 -0.218 0.000 2.724 1128 G HA2 0.085 4.044 3.960 -0.001 0.000 0.205 1128 G HA3 0.085 4.044 3.960 -0.001 0.000 0.205 1128 G C 1.375 176.151 174.900 -0.207 0.000 1.112 1128 G CA -0.042 44.913 45.100 -0.243 0.000 0.793 1128 G HN 0.264 nan 8.290 nan 0.000 0.526 1129 I N 1.092 121.564 120.570 -0.163 0.000 3.444 1129 I HA 0.114 4.284 4.170 -0.001 0.000 0.287 1129 I C 2.139 178.115 176.117 -0.235 0.000 1.302 1129 I CA 0.377 61.583 61.300 -0.156 0.000 1.368 1129 I CB 0.020 37.970 38.000 -0.084 0.000 1.048 1129 I HN 0.149 nan 8.210 nan 0.000 0.487 1130 I N 0.688 121.094 120.570 -0.273 0.000 2.394 1130 I HA -0.256 3.913 4.170 -0.001 0.000 0.251 1130 I C 2.081 177.623 176.117 -0.958 0.000 1.136 1130 I CA 1.502 62.567 61.300 -0.392 0.000 1.425 1130 I CB 0.245 38.128 38.000 -0.195 0.000 1.079 1130 I HN 0.218 nan 8.210 nan 0.000 0.425 1131 M N -0.509 118.639 119.600 -0.753 0.000 2.441 1131 M HA -0.002 4.477 4.480 -0.001 0.000 0.244 1131 M C 1.725 177.727 176.300 -0.498 0.000 1.122 1131 M CA 0.145 54.933 55.300 -0.853 0.000 1.041 1131 M CB 0.050 32.451 32.600 -0.331 0.000 1.438 1131 M HN -0.106 nan 8.290 nan 0.000 0.484 1132 K N 2.002 122.178 120.400 -0.374 0.000 2.049 1132 K HA -0.238 4.082 4.320 -0.001 0.000 0.219 1132 K C 0.929 177.465 176.600 -0.108 0.000 1.056 1132 K CA 2.395 58.561 56.287 -0.202 0.000 0.946 1132 K CB -0.518 31.897 32.500 -0.142 0.000 0.723 1132 K HN 0.290 nan 8.250 nan 0.000 0.453 1133 D N -0.671 119.679 120.400 -0.083 0.000 2.333 1133 D HA -0.034 4.605 4.640 -0.001 0.000 0.208 1133 D C 0.018 176.504 176.300 0.310 0.000 0.984 1133 D CA 0.141 54.200 54.000 0.098 0.000 0.873 1133 D CB -0.181 40.688 40.800 0.115 0.000 0.935 1133 D HN 0.107 nan 8.370 nan 0.000 0.521 1134 F N 2.477 122.460 119.950 0.054 0.000 2.563 1134 F HA 0.040 4.566 4.527 -0.001 0.000 0.323 1134 F C 0.833 176.645 175.800 0.021 0.000 1.297 1134 F CA -0.726 57.348 58.000 0.124 0.000 1.026 1134 F CB -1.255 37.723 39.000 -0.037 0.000 1.410 1134 F HN -0.246 nan 8.300 nan 0.000 0.656 1135 S N 2.578 118.385 115.700 0.178 0.000 2.426 1135 S HA 0.343 4.812 4.470 -0.001 0.000 0.236 1135 S C -0.685 173.693 174.600 -0.370 0.000 1.368 1135 S CA -0.593 57.572 58.200 -0.058 0.000 1.154 1135 S CB 0.909 64.111 63.200 0.004 0.000 1.037 1135 S HN 0.617 nan 8.310 nan 0.000 0.481 1136 H N 2.895 121.624 119.070 -0.568 0.000 2.974 1136 H HA 0.349 4.904 4.556 -0.001 0.000 0.366 1136 H C -2.636 172.471 175.328 -0.368 0.000 1.155 1136 H CA -1.611 54.019 56.048 -0.696 0.000 1.186 1136 H CB 2.660 31.660 29.762 -1.270 0.000 1.799 1136 H HN 0.216 nan 8.280 nan 0.000 0.541 1137 P HA -0.038 nan 4.420 nan 0.000 0.225 1137 P C -0.053 177.209 177.300 -0.063 0.000 1.148 1137 P CA 0.940 63.894 63.100 -0.244 0.000 0.779 1137 P CB 0.334 31.865 31.700 -0.281 0.000 0.780 1138 N N -0.916 117.896 118.700 0.187 0.000 2.273 1138 N HA 0.174 4.913 4.740 -0.001 0.000 0.231 1138 N C -0.752 174.761 175.510 0.005 0.000 1.134 1138 N CA -0.181 52.935 53.050 0.109 0.000 0.856 1138 N CB 0.699 39.263 38.487 0.128 0.000 1.068 1138 N HN -0.083 nan 8.380 nan 0.000 0.510 1139 V N 1.452 121.352 119.914 -0.023 0.000 2.638 1139 V HA 0.262 4.381 4.120 -0.001 0.000 0.306 1139 V C -0.595 175.469 176.094 -0.050 0.000 1.052 1139 V CA -1.017 61.232 62.300 -0.086 0.000 0.885 1139 V CB 2.281 33.999 31.823 -0.174 0.000 0.999 1139 V HN 0.068 nan 8.190 nan 0.000 0.424 1140 L N 5.163 126.364 121.223 -0.037 0.000 2.433 1140 L HA 0.377 4.717 4.340 -0.001 0.000 0.275 1140 L C 0.471 177.341 176.870 0.000 0.000 1.128 1140 L CA 1.169 55.984 54.840 -0.042 0.000 0.875 1140 L CB 0.500 42.517 42.059 -0.071 0.000 1.171 1140 L HN 0.765 nan 8.230 nan 0.000 0.463 1141 S N 4.785 120.471 115.700 -0.024 0.000 2.713 1141 S HA 0.622 5.092 4.470 -0.001 0.000 0.283 1141 S C -0.650 173.910 174.600 -0.066 0.000 1.161 1141 S CA -0.715 57.474 58.200 -0.017 0.000 0.999 1141 S CB 1.556 64.745 63.200 -0.020 0.000 1.039 1141 S HN 0.649 nan 8.310 nan 0.000 0.548 1142 L N 1.722 122.894 121.223 -0.085 0.000 2.272 1142 L HA 0.450 4.790 4.340 -0.001 0.000 0.289 1142 L C 0.307 177.121 176.870 -0.094 0.000 1.032 1142 L CA -0.102 54.673 54.840 -0.109 0.000 0.810 1142 L CB 0.229 42.202 42.059 -0.143 0.000 1.205 1142 L HN 0.718 nan 8.230 nan 0.000 0.422 1143 L N 4.742 125.914 121.223 -0.084 0.000 2.131 1143 L HA 0.386 4.725 4.340 -0.001 0.000 0.206 1143 L C 1.127 177.951 176.870 -0.076 0.000 1.087 1143 L CA 0.791 55.588 54.840 -0.071 0.000 0.767 1143 L CB -0.531 41.494 42.059 -0.056 0.000 0.917 1143 L HN 0.907 nan 8.230 nan 0.000 0.441 1144 G N -0.258 108.495 108.800 -0.079 0.000 2.324 1144 G HA2 0.328 4.287 3.960 -0.001 0.000 0.293 1144 G HA3 0.328 4.287 3.960 -0.001 0.000 0.293 1144 G C -2.191 172.676 174.900 -0.056 0.000 1.297 1144 G CA -0.415 44.639 45.100 -0.075 0.000 0.853 1144 G HN -0.073 nan 8.290 nan 0.000 0.535 1145 I N -0.329 120.219 120.570 -0.037 0.000 2.468 1145 I HA 0.686 4.855 4.170 -0.001 0.000 0.285 1145 I C -0.002 176.120 176.117 0.008 0.000 1.039 1145 I CA -1.083 60.218 61.300 0.000 0.000 1.074 1145 I CB 1.131 39.143 38.000 0.020 0.000 1.228 1145 I HN 0.804 nan 8.210 nan 0.000 0.436 1146 C N 7.707 127.015 119.300 0.014 0.000 2.605 1146 C HA 0.627 5.087 4.460 -0.001 0.000 0.404 1146 C C 0.011 175.011 174.990 0.017 0.000 1.284 1146 C CA -0.479 58.544 59.018 0.008 0.000 2.199 1146 C CB -0.403 27.338 27.740 0.002 0.000 2.647 1146 C HN 0.785 nan 8.230 nan 0.000 0.604 1147 L N 7.291 128.519 121.223 0.009 0.000 2.353 1147 L HA 0.546 4.885 4.340 -0.001 0.000 0.270 1147 L C 0.283 177.152 176.870 -0.002 0.000 1.003 1147 L CA -0.238 54.605 54.840 0.005 0.000 0.862 1147 L CB 0.376 42.438 42.059 0.005 0.000 1.221 1147 L HN 0.820 nan 8.230 nan 0.000 0.430 1148 R N 1.185 121.682 120.500 -0.006 0.000 2.960 1148 R HA 0.841 5.180 4.340 -0.001 0.000 0.249 1148 R C -0.651 175.633 176.300 -0.027 0.000 1.192 1148 R CA -0.703 55.390 56.100 -0.011 0.000 1.035 1148 R CB 1.797 32.097 30.300 -0.000 0.000 1.234 1148 R HN 0.307 nan 8.270 nan 0.000 0.493 1149 S N -1.041 114.637 115.700 -0.036 0.000 2.702 1149 S HA 0.255 4.725 4.470 -0.001 0.000 0.272 1149 S C -0.419 174.141 174.600 -0.065 0.000 1.068 1149 S CA -0.327 57.840 58.200 -0.056 0.000 0.964 1149 S CB 0.617 63.779 63.200 -0.063 0.000 1.307 1149 S HN 0.826 nan 8.310 nan 0.000 0.567 1150 E N -0.818 119.329 120.200 -0.089 0.000 3.799 1150 E HA -0.197 4.152 4.350 -0.001 0.000 0.320 1150 E C 0.188 176.741 176.600 -0.078 0.000 0.760 1150 E CA 1.460 57.806 56.400 -0.090 0.000 1.153 1150 E CB -1.530 28.131 29.700 -0.064 0.000 1.589 1150 E HN 0.885 nan 8.360 nan 0.000 0.448 1151 G N -0.911 107.841 108.800 -0.080 0.000 2.470 1151 G HA2 0.024 3.984 3.960 -0.001 0.000 0.145 1151 G HA3 0.024 3.984 3.960 -0.001 0.000 0.145 1151 G C -0.601 174.243 174.900 -0.094 0.000 1.223 1151 G CA -0.013 45.041 45.100 -0.078 0.000 1.058 1151 G HN 0.252 nan 8.290 nan 0.000 0.469 1152 S N 2.943 118.579 115.700 -0.107 0.000 2.599 1152 S HA 0.378 4.848 4.470 -0.001 0.000 0.303 1152 S C -1.765 172.752 174.600 -0.138 0.000 1.267 1152 S CA 0.319 58.425 58.200 -0.158 0.000 1.055 1152 S CB 0.435 63.550 63.200 -0.143 0.000 0.790 1152 S HN 0.565 nan 8.310 nan 0.000 0.500 1153 P HA 0.498 nan 4.420 nan 0.000 0.285 1153 P C -1.232 176.050 177.300 -0.031 0.000 1.269 1153 P CA -0.693 62.345 63.100 -0.104 0.000 0.844 1153 P CB 0.706 32.343 31.700 -0.106 0.000 1.094 1154 L N 0.873 122.158 121.223 0.103 0.000 2.346 1154 L HA 0.557 4.896 4.340 -0.001 0.000 0.276 1154 L C -0.332 176.658 176.870 0.200 0.000 1.006 1154 L CA -1.245 53.697 54.840 0.169 0.000 0.817 1154 L CB 2.241 44.333 42.059 0.054 0.000 1.272 1154 L HN 0.040 nan 8.230 nan 0.000 0.421 1155 V N 3.580 123.610 119.914 0.193 0.000 2.384 1155 V HA 0.365 4.485 4.120 -0.001 0.000 0.287 1155 V C -0.096 175.968 176.094 -0.050 0.000 1.020 1155 V CA -0.584 61.711 62.300 -0.008 0.000 0.850 1155 V CB 2.107 33.788 31.823 -0.237 0.000 0.987 1155 V HN 0.435 nan 8.190 nan 0.000 0.436 1156 V N 7.068 126.945 119.914 -0.063 0.000 2.370 1156 V HA 0.530 4.649 4.120 -0.001 0.000 0.283 1156 V C -0.120 175.924 176.094 -0.084 0.000 1.023 1156 V CA -0.444 61.815 62.300 -0.069 0.000 0.857 1156 V CB 1.401 33.191 31.823 -0.055 0.000 0.985 1156 V HN 0.614 nan 8.190 nan 0.000 0.443 1157 L N 6.128 127.299 121.223 -0.086 0.000 2.333 1157 L HA 0.592 4.932 4.340 -0.001 0.000 0.269 1157 L C -2.525 174.304 176.870 -0.068 0.000 1.010 1157 L CA -2.199 52.586 54.840 -0.092 0.000 0.818 1157 L CB 2.668 44.653 42.059 -0.122 0.000 1.306 1157 L HN 0.391 nan 8.230 nan 0.000 0.430 1158 P HA -0.021 nan 4.420 nan 0.000 0.268 1158 P C -1.157 176.108 177.300 -0.057 0.000 1.204 1158 P CA -0.012 63.057 63.100 -0.052 0.000 0.768 1158 P CB 0.175 31.833 31.700 -0.069 0.000 0.842 1159 Y N 3.989 124.184 120.300 -0.175 0.000 2.411 1159 Y HA 0.253 4.803 4.550 -0.001 0.000 0.333 1159 Y C 0.033 175.833 175.900 -0.166 0.000 1.186 1159 Y CA 0.121 58.079 58.100 -0.237 0.000 1.381 1159 Y CB 0.506 38.664 38.460 -0.502 0.000 1.273 1159 Y HN 0.240 nan 8.280 nan 0.000 0.546 1160 M N 7.283 126.264 119.600 -1.032 0.000 2.023 1160 M HA 0.180 4.659 4.480 -0.001 0.000 0.325 1160 M C 0.903 176.628 176.300 -0.960 0.000 0.963 1160 M CA -0.486 54.367 55.300 -0.744 0.000 0.928 1160 M CB 1.613 33.964 32.600 -0.416 0.000 1.429 1160 M HN 0.813 nan 8.290 nan 0.000 0.404 1161 K N 1.546 121.519 120.400 -0.711 0.000 2.089 1161 K HA -0.176 4.143 4.320 -0.001 0.000 0.210 1161 K C 0.856 177.214 176.600 -0.405 0.000 1.048 1161 K CA 1.583 57.568 56.287 -0.504 0.000 0.926 1161 K CB 0.212 32.427 32.500 -0.475 0.000 0.714 1161 K HN 0.625 nan 8.250 nan 0.000 0.448 1162 H N -0.591 118.402 119.070 -0.129 0.000 2.517 1162 H HA 0.127 4.682 4.556 -0.001 0.000 0.282 1162 H C 1.242 176.608 175.328 0.064 0.000 1.023 1162 H CA 0.565 56.638 56.048 0.042 0.000 1.169 1162 H CB 0.227 29.994 29.762 0.007 0.000 1.454 1162 H HN 0.453 nan 8.280 nan 0.000 0.556 1163 G N 2.018 110.839 108.800 0.035 0.000 2.582 1163 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.288 1163 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.288 1163 G C -0.154 174.806 174.900 0.101 0.000 1.247 1163 G CA 0.273 45.420 45.100 0.078 0.000 0.972 1163 G HN 0.567 nan 8.290 nan 0.000 0.557 1164 D N -0.064 120.436 120.400 0.167 0.000 2.304 1164 D HA 0.461 5.101 4.640 -0.001 0.000 0.247 1164 D C 1.519 177.886 176.300 0.111 0.000 1.089 1164 D CA -0.266 53.824 54.000 0.150 0.000 0.910 1164 D CB 1.101 42.007 40.800 0.177 0.000 1.199 1164 D HN 0.556 nan 8.370 nan 0.000 0.426 1165 L N 2.302 123.551 121.223 0.043 0.000 1.997 1165 L HA -0.194 4.145 4.340 -0.001 0.000 0.216 1165 L C 2.382 179.328 176.870 0.127 0.000 1.074 1165 L CA 2.007 56.850 54.840 0.005 0.000 0.763 1165 L CB -0.913 41.111 42.059 -0.059 0.000 0.890 1165 L HN 0.753 nan 8.230 nan 0.000 0.434 1166 R N -0.536 120.032 120.500 0.113 0.000 2.096 1166 R HA -0.221 4.119 4.340 -0.001 0.000 0.240 1166 R C 2.105 178.489 176.300 0.140 0.000 1.139 1166 R CA 2.334 58.509 56.100 0.126 0.000 0.952 1166 R CB -0.400 29.958 30.300 0.096 0.000 0.854 1166 R HN 0.625 nan 8.270 nan 0.000 0.436 1167 N N -0.659 118.124 118.700 0.137 0.000 2.142 1167 N HA -0.177 4.563 4.740 -0.001 0.000 0.186 1167 N C 1.661 177.292 175.510 0.200 0.000 1.023 1167 N CA 1.175 54.307 53.050 0.137 0.000 0.852 1167 N CB -0.251 38.308 38.487 0.120 0.000 0.998 1167 N HN 0.135 nan 8.380 nan 0.000 0.424 1168 F N 2.699 122.730 119.950 0.135 0.000 2.091 1168 F HA -0.198 4.328 4.527 -0.001 0.000 0.299 1168 F C 2.078 178.047 175.800 0.282 0.000 1.103 1168 F CA 1.382 59.520 58.000 0.230 0.000 1.228 1168 F CB -0.212 38.853 39.000 0.109 0.000 0.984 1168 F HN 0.032 nan 8.300 nan 0.000 0.477 1169 I N -1.725 119.028 120.570 0.304 0.000 2.617 1169 I HA -0.060 4.109 4.170 -0.001 0.000 0.256 1169 I C 2.174 178.344 176.117 0.089 0.000 1.167 1169 I CA 0.953 62.375 61.300 0.203 0.000 1.469 1169 I CB -0.601 37.555 38.000 0.261 0.000 1.098 1169 I HN 0.047 nan 8.210 nan 0.000 0.436 1170 R N 1.407 121.952 120.500 0.076 0.000 2.153 1170 R HA 0.050 4.389 4.340 -0.001 0.000 0.218 1170 R C 0.888 177.177 176.300 -0.019 0.000 1.072 1170 R CA 0.105 56.228 56.100 0.038 0.000 0.990 1170 R CB -0.331 29.998 30.300 0.049 0.000 0.889 1170 R HN 0.382 nan 8.270 nan 0.000 0.452 1171 N N 2.141 120.792 118.700 -0.081 0.000 2.417 1171 N HA -0.096 4.643 4.740 -0.001 0.000 0.272 1171 N C -0.067 175.312 175.510 -0.218 0.000 1.304 1171 N CA 0.368 53.285 53.050 -0.222 0.000 0.906 1171 N CB 0.932 39.119 38.487 -0.499 0.000 1.135 1171 N HN 0.137 nan 8.380 nan 0.000 0.483 1172 E N 1.010 121.128 120.200 -0.137 0.000 2.331 1172 E HA -0.161 4.188 4.350 -0.001 0.000 0.199 1172 E C 1.587 178.126 176.600 -0.102 0.000 1.008 1172 E CA 1.431 57.780 56.400 -0.084 0.000 0.843 1172 E CB -0.078 29.593 29.700 -0.048 0.000 0.761 1172 E HN 0.758 nan 8.360 nan 0.000 0.507 1173 T N -1.614 112.825 114.554 -0.191 0.000 3.100 1173 T HA -0.026 4.323 4.350 -0.001 0.000 0.253 1173 T C 0.437 175.091 174.700 -0.077 0.000 1.118 1173 T CA -0.141 61.872 62.100 -0.144 0.000 1.058 1173 T CB -0.087 68.697 68.868 -0.141 0.000 0.953 1173 T HN 0.007 nan 8.240 nan 0.000 0.515 1174 H N 2.206 121.195 119.070 -0.136 0.000 2.481 1174 H HA 0.482 5.038 4.556 -0.001 0.000 0.339 1174 H C 0.031 175.298 175.328 -0.102 0.000 1.131 1174 H CA -1.211 54.722 56.048 -0.191 0.000 1.301 1174 H CB 0.741 30.233 29.762 -0.449 0.000 1.476 1174 H HN 0.246 nan 8.280 nan 0.000 0.529 1175 N N 3.597 122.340 118.700 0.073 0.000 2.818 1175 N HA 0.136 4.876 4.740 -0.001 0.000 0.301 1175 N C -2.593 172.996 175.510 0.132 0.000 1.821 1175 N CA -1.090 52.010 53.050 0.084 0.000 0.930 1175 N CB 1.362 39.880 38.487 0.051 0.000 1.263 1175 N HN 0.426 nan 8.380 nan 0.000 0.487 1176 P HA 0.048 nan 4.420 nan 0.000 0.269 1176 P C 0.323 177.580 177.300 -0.072 0.000 1.215 1176 P CA 0.204 63.299 63.100 -0.008 0.000 0.780 1176 P CB 0.822 32.528 31.700 0.011 0.000 0.898 1177 T N -2.232 112.208 114.554 -0.190 0.000 2.937 1177 T HA 0.279 4.629 4.350 -0.001 0.000 0.283 1177 T C 1.398 175.885 174.700 -0.354 0.000 1.012 1177 T CA -0.791 61.122 62.100 -0.312 0.000 0.997 1177 T CB 0.382 69.074 68.868 -0.293 0.000 1.136 1177 T HN 0.048 nan 8.240 nan 0.000 0.551 1178 V N 0.962 120.562 119.914 -0.523 0.000 2.332 1178 V HA -0.145 3.974 4.120 -0.001 0.000 0.248 1178 V C 2.832 178.535 176.094 -0.653 0.000 1.055 1178 V CA 2.242 64.159 62.300 -0.639 0.000 1.038 1178 V CB -0.983 30.344 31.823 -0.827 0.000 0.651 1178 V HN 1.012 nan 8.190 nan 0.000 0.450 1179 K N 0.043 119.936 120.400 -0.845 0.000 2.032 1179 K HA -0.246 4.073 4.320 -0.001 0.000 0.209 1179 K C 1.893 178.411 176.600 -0.136 0.000 1.048 1179 K CA 2.046 58.135 56.287 -0.331 0.000 0.927 1179 K CB -0.283 32.250 32.500 0.055 0.000 0.712 1179 K HN 0.455 nan 8.250 nan 0.000 0.441 1180 D N 0.799 121.045 120.400 -0.255 0.000 2.104 1180 D HA -0.183 4.456 4.640 -0.001 0.000 0.194 1180 D C 2.018 177.907 176.300 -0.684 0.000 0.994 1180 D CA 1.264 54.992 54.000 -0.452 0.000 0.830 1180 D CB -0.192 40.344 40.800 -0.439 0.000 0.959 1180 D HN 0.257 nan 8.370 nan 0.000 0.452 1181 L N 0.434 121.413 121.223 -0.407 0.000 2.056 1181 L HA -0.107 4.232 4.340 -0.001 0.000 0.207 1181 L C 2.588 179.399 176.870 -0.099 0.000 1.078 1181 L CA 0.637 55.349 54.840 -0.213 0.000 0.749 1181 L CB -0.272 41.730 42.059 -0.094 0.000 0.901 1181 L HN 0.011 nan 8.230 nan 0.000 0.433 1182 I N -0.205 120.312 120.570 -0.088 0.000 2.315 1182 I HA -0.187 3.982 4.170 -0.001 0.000 0.248 1182 I C 2.596 178.723 176.117 0.016 0.000 1.117 1182 I CA 1.307 62.619 61.300 0.020 0.000 1.404 1182 I CB -0.749 37.299 38.000 0.081 0.000 1.071 1182 I HN 0.272 nan 8.210 nan 0.000 0.419 1183 G N 0.798 109.575 108.800 -0.037 0.000 2.418 1183 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.217 1183 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.217 1183 G C 1.440 176.305 174.900 -0.058 0.000 1.158 1183 G CA 0.412 45.363 45.100 -0.247 0.000 0.771 1183 G HN 0.165 nan 8.290 nan 0.000 0.545 1184 F N 1.826 121.764 119.950 -0.020 0.000 2.102 1184 F HA 0.028 4.554 4.527 -0.001 0.000 0.298 1184 F C 2.887 178.707 175.800 0.032 0.000 1.105 1184 F CA 0.492 58.491 58.000 -0.002 0.000 1.239 1184 F CB -1.141 37.868 39.000 0.014 0.000 0.991 1184 F HN 0.187 nan 8.300 nan 0.000 0.474 1185 G N -0.182 108.761 108.800 0.239 0.000 2.422 1185 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.218 1185 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.218 1185 G C 1.724 176.801 174.900 0.296 0.000 1.146 1185 G CA 0.864 46.102 45.100 0.229 0.000 0.769 1185 G HN 0.340 nan 8.290 nan 0.000 0.547 1186 L N 0.246 121.542 121.223 0.122 0.000 2.093 1186 L HA 0.035 4.374 4.340 -0.001 0.000 0.208 1186 L C 2.790 179.679 176.870 0.031 0.000 1.085 1186 L CA 1.807 56.669 54.840 0.037 0.000 0.755 1186 L CB -0.575 41.375 42.059 -0.182 0.000 0.904 1186 L HN 0.295 nan 8.230 nan 0.000 0.435 1187 Q N -1.265 118.561 119.800 0.043 0.000 2.079 1187 Q HA -0.164 4.175 4.340 -0.001 0.000 0.200 1187 Q C 2.199 178.232 176.000 0.055 0.000 0.974 1187 Q CA 1.834 57.666 55.803 0.048 0.000 0.840 1187 Q CB -0.207 28.577 28.738 0.076 0.000 0.898 1187 Q HN 0.454 nan 8.270 nan 0.000 0.430 1188 V N 1.033 121.023 119.914 0.126 0.000 2.287 1188 V HA -0.314 3.805 4.120 -0.001 0.000 0.248 1188 V C 2.311 178.397 176.094 -0.014 0.000 1.053 1188 V CA 1.913 64.286 62.300 0.123 0.000 1.027 1188 V CB -1.042 30.964 31.823 0.305 0.000 0.646 1188 V HN 0.419 nan 8.190 nan 0.000 0.447 1189 A N -0.443 122.371 122.820 -0.011 0.000 1.948 1189 A HA -0.284 4.035 4.320 -0.001 0.000 0.220 1189 A C 2.283 179.732 177.584 -0.225 0.000 1.177 1189 A CA 2.163 54.021 52.037 -0.298 0.000 0.636 1189 A CB -0.480 18.369 19.000 -0.251 0.000 0.815 1189 A HN 0.570 nan 8.150 nan 0.000 0.449 1190 K N -1.020 119.312 120.400 -0.114 0.000 2.148 1190 K HA -0.080 4.240 4.320 -0.001 0.000 0.204 1190 K C 2.139 178.560 176.600 -0.298 0.000 1.050 1190 K CA 0.962 57.195 56.287 -0.091 0.000 0.942 1190 K CB -0.365 32.167 32.500 0.054 0.000 0.724 1190 K HN 0.487 nan 8.250 nan 0.000 0.446 1191 G N 1.252 109.867 108.800 -0.310 0.000 2.404 1191 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.215 1191 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.215 1191 G C 1.466 176.114 174.900 -0.420 0.000 1.174 1191 G CA 0.431 45.271 45.100 -0.433 0.000 0.780 1191 G HN 0.042 nan 8.290 nan 0.000 0.537 1192 M N 0.769 120.059 119.600 -0.516 0.000 2.117 1192 M HA 0.017 4.496 4.480 -0.001 0.000 0.262 1192 M C 2.284 178.177 176.300 -0.678 0.000 1.065 1192 M CA 1.208 56.008 55.300 -0.833 0.000 1.114 1192 M CB -0.972 30.557 32.600 -1.784 0.000 1.361 1192 M HN 0.341 nan 8.290 nan 0.000 0.408 1193 K N -0.440 119.693 120.400 -0.445 0.000 2.147 1193 K HA -0.206 4.113 4.320 -0.001 0.000 0.205 1193 K C 2.020 178.547 176.600 -0.121 0.000 1.049 1193 K CA 1.227 57.425 56.287 -0.148 0.000 0.936 1193 K CB -0.257 32.219 32.500 -0.040 0.000 0.722 1193 K HN 0.162 nan 8.250 nan 0.000 0.446 1194 F N 1.750 121.484 119.950 -0.359 0.000 2.084 1194 F HA -0.123 4.403 4.527 -0.001 0.000 0.296 1194 F C 1.701 177.345 175.800 -0.260 0.000 1.111 1194 F CA 1.379 59.185 58.000 -0.324 0.000 1.224 1194 F CB -0.358 38.290 39.000 -0.587 0.000 0.991 1194 F HN -0.069 nan 8.300 nan 0.000 0.471 1195 L N 0.155 121.166 121.223 -0.354 0.000 2.042 1195 L HA -0.224 4.115 4.340 -0.001 0.000 0.210 1195 L C 2.793 179.555 176.870 -0.179 0.000 1.076 1195 L CA 1.308 55.929 54.840 -0.364 0.000 0.749 1195 L CB -1.433 40.494 42.059 -0.219 0.000 0.893 1195 L HN 0.269 nan 8.230 nan 0.000 0.432 1196 A N 0.296 123.038 122.820 -0.131 0.000 1.933 1196 A HA -0.224 4.095 4.320 -0.001 0.000 0.218 1196 A C 2.550 180.102 177.584 -0.052 0.000 1.175 1196 A CA 1.944 53.973 52.037 -0.013 0.000 0.628 1196 A CB -0.697 18.360 19.000 0.095 0.000 0.814 1196 A HN 0.545 nan 8.150 nan 0.000 0.444 1197 S N -0.225 115.393 115.700 -0.138 0.000 2.399 1197 S HA -0.124 4.345 4.470 -0.001 0.000 0.231 1197 S C 1.256 175.763 174.600 -0.156 0.000 1.022 1197 S CA 1.381 59.498 58.200 -0.138 0.000 0.983 1197 S CB -0.205 62.891 63.200 -0.174 0.000 0.803 1197 S HN 0.413 nan 8.310 nan 0.000 0.480 1198 K N 1.299 121.561 120.400 -0.229 0.000 2.520 1198 K HA 0.236 4.555 4.320 -0.001 0.000 0.205 1198 K C 0.031 176.636 176.600 0.009 0.000 1.035 1198 K CA -0.108 56.096 56.287 -0.138 0.000 1.188 1198 K CB -0.133 32.233 32.500 -0.224 0.000 0.894 1198 K HN 0.312 nan 8.250 nan 0.000 0.497 1199 K N 0.135 120.543 120.400 0.015 0.000 3.020 1199 K HA -0.235 4.084 4.320 -0.001 0.000 0.266 1199 K C -0.161 176.499 176.600 0.099 0.000 1.067 1199 K CA 0.555 56.872 56.287 0.051 0.000 0.780 1199 K CB -2.614 29.909 32.500 0.039 0.000 1.220 1199 K HN 0.287 nan 8.250 nan 0.000 0.483 1200 F N 1.054 120.988 119.950 -0.027 0.000 2.404 1200 F HA 0.281 4.807 4.527 -0.001 0.000 0.358 1200 F C 0.341 176.155 175.800 0.023 0.000 1.120 1200 F CA -0.857 57.149 58.000 0.010 0.000 1.144 1200 F CB 0.869 39.868 39.000 -0.003 0.000 1.133 1200 F HN -0.137 nan 8.300 nan 0.000 0.495 1201 V N 7.442 127.096 119.914 -0.433 0.000 2.406 1201 V HA 0.047 4.166 4.120 -0.001 0.000 0.272 1201 V C 1.222 177.065 176.094 -0.419 0.000 1.043 1201 V CA -0.350 61.817 62.300 -0.223 0.000 0.915 1201 V CB 0.811 32.578 31.823 -0.093 0.000 0.988 1201 V HN 0.848 nan 8.190 nan 0.000 0.466 1202 H N 5.499 124.473 119.070 -0.159 0.000 2.276 1202 H HA -0.036 4.519 4.556 -0.001 0.000 0.301 1202 H C 1.632 176.900 175.328 -0.099 0.000 1.073 1202 H CA 2.348 58.373 56.048 -0.037 0.000 1.311 1202 H CB 0.375 30.213 29.762 0.127 0.000 1.379 1202 H HN 0.750 nan 8.280 nan 0.000 0.494 1203 R N -1.314 119.285 120.500 0.164 0.000 3.205 1203 R HA -0.155 4.185 4.340 -0.001 0.000 0.425 1203 R C -0.310 175.999 176.300 0.015 0.000 0.465 1203 R CA 1.284 57.331 56.100 -0.087 0.000 1.455 1203 R CB -1.451 28.618 30.300 -0.385 0.000 1.999 1203 R HN 0.338 nan 8.270 nan 0.000 0.317 1204 D N 0.505 121.105 120.400 0.335 0.000 2.992 1204 D HA 0.170 4.809 4.640 -0.001 0.000 0.372 1204 D C -1.106 175.217 176.300 0.038 0.000 1.374 1204 D CA -0.402 53.700 54.000 0.171 0.000 0.769 1204 D CB 0.367 41.232 40.800 0.108 0.000 1.215 1204 D HN 0.020 nan 8.370 nan 0.000 0.473 1205 L N 1.672 122.805 121.223 -0.150 0.000 2.462 1205 L HA 0.594 4.933 4.340 -0.001 0.000 0.272 1205 L C -0.429 176.390 176.870 -0.085 0.000 1.166 1205 L CA 0.342 54.995 54.840 -0.312 0.000 0.880 1205 L CB 0.333 42.309 42.059 -0.138 0.000 1.142 1205 L HN 0.242 nan 8.230 nan 0.000 0.473 1206 A N 3.868 126.621 122.820 -0.112 0.000 2.590 1206 A HA 0.641 4.960 4.320 -0.001 0.000 0.294 1206 A C 0.442 178.019 177.584 -0.011 0.000 1.046 1206 A CA -0.172 51.782 52.037 -0.139 0.000 0.684 1206 A CB 0.130 18.678 19.000 -0.753 0.000 1.279 1206 A HN 1.095 nan 8.150 nan 0.000 0.415 1207 A N 0.957 123.840 122.820 0.105 0.000 1.986 1207 A HA -0.170 4.150 4.320 -0.001 0.000 0.220 1207 A C 1.945 179.561 177.584 0.055 0.000 1.171 1207 A CA 2.109 54.208 52.037 0.104 0.000 0.640 1207 A CB -0.576 18.520 19.000 0.161 0.000 0.811 1207 A HN 1.180 nan 8.150 nan 0.000 0.451 1208 R N -0.918 119.579 120.500 -0.006 0.000 2.237 1208 R HA -0.018 4.322 4.340 -0.001 0.000 0.219 1208 R C 0.337 176.651 176.300 0.023 0.000 1.080 1208 R CA 1.469 57.540 56.100 -0.049 0.000 0.995 1208 R CB -0.401 29.811 30.300 -0.147 0.000 0.875 1208 R HN 0.352 nan 8.270 nan 0.000 0.462 1209 N N 0.155 118.907 118.700 0.086 0.000 2.230 1209 N HA 0.099 4.838 4.740 -0.001 0.000 0.202 1209 N C -0.817 174.813 175.510 0.199 0.000 1.119 1209 N CA -0.008 53.189 53.050 0.244 0.000 0.851 1209 N CB 0.546 39.151 38.487 0.198 0.000 0.990 1209 N HN 0.153 nan 8.380 nan 0.000 0.497 1210 C N 1.741 121.121 119.300 0.133 0.000 2.351 1210 C HA 0.530 4.990 4.460 -0.001 0.000 0.326 1210 C C 0.264 175.278 174.990 0.039 0.000 1.272 1210 C CA -0.962 58.093 59.018 0.062 0.000 1.650 1210 C CB 0.636 28.388 27.740 0.021 0.000 2.257 1210 C HN 0.175 nan 8.230 nan 0.000 0.505 1211 M N 3.176 122.765 119.600 -0.019 0.000 2.409 1211 M HA 0.567 5.047 4.480 -0.001 0.000 0.329 1211 M C -0.621 175.595 176.300 -0.139 0.000 1.180 1211 M CA -0.900 54.362 55.300 -0.064 0.000 1.053 1211 M CB 1.035 33.569 32.600 -0.109 0.000 1.586 1211 M HN 0.480 nan 8.290 nan 0.000 0.461 1212 L N 3.334 124.454 121.223 -0.172 0.000 2.376 1212 L HA 0.434 4.774 4.340 -0.001 0.000 0.275 1212 L C -0.494 176.262 176.870 -0.191 0.000 0.987 1212 L CA -0.324 54.365 54.840 -0.252 0.000 0.828 1212 L CB 0.969 42.754 42.059 -0.458 0.000 1.249 1212 L HN 0.755 nan 8.230 nan 0.000 0.409 1213 D N 2.936 123.220 120.400 -0.193 0.000 2.506 1213 D HA 0.087 4.726 4.640 -0.001 0.000 0.272 1213 D C 0.809 176.951 176.300 -0.262 0.000 1.214 1213 D CA 0.069 53.937 54.000 -0.220 0.000 1.067 1213 D CB 0.455 41.144 40.800 -0.187 0.000 1.117 1213 D HN 0.682 nan 8.370 nan 0.000 0.578 1214 E N -0.228 119.798 120.200 -0.290 0.000 2.209 1214 E HA -0.229 4.120 4.350 -0.001 0.000 0.196 1214 E C 0.971 177.303 176.600 -0.446 0.000 0.993 1214 E CA 0.890 57.078 56.400 -0.354 0.000 0.819 1214 E CB -0.240 29.330 29.700 -0.216 0.000 0.745 1214 E HN 0.323 nan 8.360 nan 0.000 0.477 1215 K N -0.215 120.016 120.400 -0.283 0.000 2.417 1215 K HA 0.063 4.382 4.320 -0.001 0.000 0.196 1215 K C -0.584 176.008 176.600 -0.013 0.000 1.023 1215 K CA -0.167 56.039 56.287 -0.135 0.000 1.122 1215 K CB 0.107 32.589 32.500 -0.029 0.000 0.850 1215 K HN 0.108 nan 8.250 nan 0.000 0.521 1216 F N -0.037 119.922 119.950 0.015 0.000 2.999 1216 F HA -0.224 4.303 4.527 -0.001 0.000 0.291 1216 F C -0.010 175.777 175.800 -0.022 0.000 0.824 1216 F CA 0.491 58.467 58.000 -0.039 0.000 1.255 1216 F CB -2.781 36.243 39.000 0.040 0.000 1.333 1216 F HN -0.175 nan 8.300 nan 0.000 0.502 1217 T N 1.135 115.704 114.554 0.025 0.000 2.749 1217 T HA 0.557 4.906 4.350 -0.001 0.000 0.295 1217 T C 0.477 175.138 174.700 -0.065 0.000 0.936 1217 T CA -0.499 61.602 62.100 0.002 0.000 1.060 1217 T CB 1.529 70.377 68.868 -0.033 0.000 0.904 1217 T HN 0.029 nan 8.240 nan 0.000 0.500 1218 V N 5.510 125.394 119.914 -0.049 0.000 2.530 1218 V HA 0.274 4.394 4.120 -0.001 0.000 0.282 1218 V C 0.403 176.461 176.094 -0.061 0.000 1.048 1218 V CA -0.363 61.878 62.300 -0.099 0.000 0.997 1218 V CB 0.583 32.362 31.823 -0.073 0.000 0.987 1218 V HN 0.711 nan 8.190 nan 0.000 0.477 1219 K N 4.149 124.503 120.400 -0.076 0.000 2.413 1219 K HA 0.496 4.815 4.320 -0.001 0.000 0.257 1219 K C -0.921 175.653 176.600 -0.042 0.000 0.946 1219 K CA -0.753 55.498 56.287 -0.060 0.000 0.823 1219 K CB 2.260 34.713 32.500 -0.079 0.000 1.109 1219 K HN 0.397 nan 8.250 nan 0.000 0.427 1220 V N 2.386 122.282 119.914 -0.031 0.000 2.655 1220 V HA 0.249 4.369 4.120 -0.001 0.000 0.300 1220 V C 0.471 176.590 176.094 0.041 0.000 1.044 1220 V CA 0.445 62.751 62.300 0.009 0.000 1.095 1220 V CB 0.850 32.664 31.823 -0.014 0.000 0.952 1220 V HN 1.014 nan 8.190 nan 0.000 0.485 1221 A N 3.960 126.851 122.820 0.117 0.000 2.593 1221 A HA 0.805 5.124 4.320 -0.001 0.000 0.304 1221 A C -1.324 176.377 177.584 0.195 0.000 1.233 1221 A CA -0.446 51.640 52.037 0.083 0.000 0.661 1221 A CB 1.887 20.852 19.000 -0.058 0.000 1.338 1221 A HN 0.624 nan 8.150 nan 0.000 0.495 1222 D N -0.544 119.894 120.400 0.063 0.000 2.452 1222 D HA 0.497 5.137 4.640 -0.001 0.000 0.226 1222 D C -1.136 175.190 176.300 0.044 0.000 1.366 1222 D CA -0.198 53.867 54.000 0.108 0.000 0.986 1222 D CB 0.577 41.376 40.800 -0.001 0.000 1.420 1222 D HN 0.186 nan 8.370 nan 0.000 0.583 1246 P HA 0.091 nan 4.420 nan 0.000 0.219 1246 P C 0.901 178.400 177.300 0.333 0.000 1.832 1246 P CA -0.239 62.998 63.100 0.228 0.000 1.014 1246 P CB 0.302 32.070 31.700 0.113 0.000 1.939 1247 V N 0.149 120.202 119.914 0.231 0.000 2.594 1247 V HA -0.201 3.918 4.120 -0.001 0.000 0.253 1247 V C 1.928 178.106 176.094 0.140 0.000 1.069 1247 V CA 1.350 63.734 62.300 0.140 0.000 1.082 1247 V CB -1.171 30.668 31.823 0.027 0.000 0.680 1247 V HN 0.101 nan 8.190 nan 0.000 0.469 1248 K N -1.107 119.435 120.400 0.237 0.000 2.504 1248 K HA 0.020 4.339 4.320 -0.001 0.000 0.195 1248 K C 1.526 178.148 176.600 0.036 0.000 1.036 1248 K CA 1.187 57.517 56.287 0.071 0.000 0.984 1248 K CB -0.109 32.355 32.500 -0.061 0.000 0.788 1248 K HN 0.713 nan 8.250 nan 0.000 0.488 1249 W N -0.214 121.212 121.300 0.209 0.000 2.870 1249 W HA 0.265 4.924 4.660 -0.001 0.000 0.358 1249 W C -0.189 176.522 176.519 0.319 0.000 1.043 1249 W CA -0.465 57.065 57.345 0.308 0.000 1.692 1249 W CB 0.367 29.977 29.460 0.251 0.000 1.100 1249 W HN -0.036 nan 8.180 nan 0.000 0.557 1250 M N 0.749 120.528 119.600 0.298 0.000 2.216 1250 M HA 0.388 4.867 4.480 -0.001 0.000 0.356 1250 M C 0.679 176.617 176.300 -0.602 0.000 1.205 1250 M CA -0.182 55.140 55.300 0.036 0.000 1.122 1250 M CB 1.289 33.941 32.600 0.086 0.000 1.571 1250 M HN -0.242 nan 8.290 nan 0.000 0.464 1251 A N 3.124 125.453 122.820 -0.819 0.000 2.466 1251 A HA 0.165 4.484 4.320 -0.001 0.000 0.238 1251 A C 1.125 178.104 177.584 -1.008 0.000 1.074 1251 A CA -0.330 50.809 52.037 -1.497 0.000 0.774 1251 A CB 0.217 18.911 19.000 -0.511 0.000 1.015 1251 A HN 1.079 nan 8.150 nan 0.000 0.498 1252 L N 0.579 121.155 121.223 -1.078 0.000 1.971 1252 L HA -0.213 4.126 4.340 -0.001 0.000 0.215 1252 L C 2.931 179.594 176.870 -0.345 0.000 1.072 1252 L CA 2.297 56.819 54.840 -0.531 0.000 0.758 1252 L CB -0.431 41.430 42.059 -0.330 0.000 0.889 1252 L HN 1.062 nan 8.230 nan 0.000 0.433 1253 E N -0.600 119.432 120.200 -0.280 0.000 2.171 1253 E HA -0.223 4.127 4.350 -0.001 0.000 0.197 1253 E C 1.869 178.309 176.600 -0.267 0.000 0.997 1253 E CA 1.925 58.200 56.400 -0.208 0.000 0.810 1253 E CB -0.381 29.236 29.700 -0.138 0.000 0.738 1253 E HN 0.407 nan 8.360 nan 0.000 0.467 1254 S N 0.702 116.190 115.700 -0.354 0.000 2.436 1254 S HA 0.106 4.576 4.470 -0.001 0.000 0.228 1254 S C 2.049 176.417 174.600 -0.387 0.000 1.014 1254 S CA 0.402 58.304 58.200 -0.496 0.000 0.950 1254 S CB -0.105 62.690 63.200 -0.674 0.000 0.784 1254 S HN 0.191 nan 8.310 nan 0.000 0.504 1255 L N 0.867 121.908 121.223 -0.303 0.000 2.156 1255 L HA -0.080 4.260 4.340 -0.001 0.000 0.208 1255 L C 2.635 179.388 176.870 -0.196 0.000 1.095 1255 L CA 1.070 55.776 54.840 -0.224 0.000 0.770 1255 L CB -0.266 41.651 42.059 -0.237 0.000 0.914 1255 L HN 0.286 nan 8.230 nan 0.000 0.439 1256 Q N -0.763 118.917 119.800 -0.199 0.000 2.033 1256 Q HA -0.065 4.274 4.340 -0.001 0.000 0.196 1256 Q C 0.684 176.599 176.000 -0.143 0.000 0.970 1256 Q CA 1.468 57.179 55.803 -0.155 0.000 0.828 1256 Q CB 0.275 28.931 28.738 -0.137 0.000 0.895 1256 Q HN 0.422 nan 8.270 nan 0.000 0.440 1257 T N -1.984 112.467 114.554 -0.172 0.000 2.809 1257 T HA 0.303 4.652 4.350 -0.001 0.000 0.296 1257 T C -0.262 174.297 174.700 -0.236 0.000 1.015 1257 T CA -0.740 61.265 62.100 -0.158 0.000 0.954 1257 T CB 1.450 70.237 68.868 -0.136 0.000 0.950 1257 T HN -0.130 nan 8.240 nan 0.000 0.450 1258 Q N 2.628 122.319 119.800 -0.182 0.000 2.035 1258 Q HA 0.069 4.408 4.340 -0.001 0.000 0.144 1258 Q C 0.279 176.100 176.000 -0.297 0.000 0.747 1258 Q CA 0.448 56.122 55.803 -0.215 0.000 1.045 1258 Q CB -0.709 28.039 28.738 0.016 0.000 1.384 1258 Q HN 0.812 nan 8.270 nan 0.000 0.354 1259 K N -0.835 119.281 120.400 -0.473 0.000 2.274 1259 K HA 0.489 4.809 4.320 -0.001 0.000 0.262 1259 K C -1.149 175.111 176.600 -0.568 0.000 0.961 1259 K CA -0.570 55.524 56.287 -0.322 0.000 0.833 1259 K CB 0.982 33.385 32.500 -0.162 0.000 1.102 1259 K HN -0.158 nan 8.250 nan 0.000 0.436 1260 F N 1.540 121.485 119.950 -0.008 0.000 2.469 1260 F HA 0.466 4.992 4.527 -0.001 0.000 0.332 1260 F C 0.530 176.336 175.800 0.011 0.000 1.103 1260 F CA -0.426 57.579 58.000 0.008 0.000 0.979 1260 F CB 2.302 41.311 39.000 0.015 0.000 1.137 1260 F HN 0.803 nan 8.300 nan 0.000 0.463 1261 T N -2.377 112.281 114.554 0.173 0.000 2.804 1261 T HA 0.306 4.655 4.350 -0.001 0.000 0.290 1261 T C 0.665 175.461 174.700 0.161 0.000 1.099 1261 T CA -0.525 61.648 62.100 0.121 0.000 1.011 1261 T CB 1.431 70.338 68.868 0.066 0.000 1.291 1261 T HN 0.417 nan 8.240 nan 0.000 0.523 1262 T N 0.922 115.560 114.554 0.140 0.000 2.746 1262 T HA -0.041 4.309 4.350 -0.001 0.000 0.267 1262 T C 1.757 176.567 174.700 0.184 0.000 1.039 1262 T CA 1.022 63.240 62.100 0.197 0.000 1.142 1262 T CB -0.336 68.636 68.868 0.174 0.000 0.866 1262 T HN 0.462 nan 8.240 nan 0.000 0.444 1263 K N 1.680 122.146 120.400 0.110 0.000 2.280 1263 K HA 0.003 4.322 4.320 -0.001 0.000 0.202 1263 K C 2.521 179.218 176.600 0.162 0.000 1.047 1263 K CA 1.079 57.416 56.287 0.082 0.000 0.942 1263 K CB -0.531 32.002 32.500 0.056 0.000 0.739 1263 K HN 0.571 nan 8.250 nan 0.000 0.457 1264 S N -0.286 115.533 115.700 0.198 0.000 2.486 1264 S HA 0.012 4.482 4.470 -0.001 0.000 0.220 1264 S C 1.301 176.126 174.600 0.375 0.000 1.011 1264 S CA 0.180 58.536 58.200 0.259 0.000 0.921 1264 S CB 0.167 63.465 63.200 0.163 0.000 0.785 1264 S HN 0.052 nan 8.310 nan 0.000 0.517 1265 D N 1.830 122.450 120.400 0.366 0.000 2.224 1265 D HA 0.033 4.672 4.640 -0.001 0.000 0.205 1265 D C 1.940 178.549 176.300 0.515 0.000 0.965 1265 D CA 0.576 54.848 54.000 0.453 0.000 0.852 1265 D CB -0.177 40.919 40.800 0.493 0.000 0.947 1265 D HN 0.306 nan 8.370 nan 0.000 0.494 1266 V N 0.696 120.780 119.914 0.283 0.000 2.427 1266 V HA -0.167 3.952 4.120 -0.001 0.000 0.248 1266 V C 2.141 178.410 176.094 0.291 0.000 1.051 1266 V CA 1.004 63.333 62.300 0.049 0.000 1.048 1266 V CB -0.342 31.326 31.823 -0.258 0.000 0.666 1266 V HN 0.387 nan 8.190 nan 0.000 0.456 1267 W N 1.169 122.609 121.300 0.232 0.000 2.355 1267 W HA -0.195 4.464 4.660 -0.001 0.000 0.309 1267 W C 2.474 179.276 176.519 0.472 0.000 1.206 1267 W CA 2.097 59.669 57.345 0.378 0.000 1.284 1267 W CB -0.590 29.075 29.460 0.341 0.000 1.145 1267 W HN 0.321 nan 8.180 nan 0.000 0.502 1268 S N 0.689 116.856 115.700 0.777 0.000 2.382 1268 S HA -0.221 4.248 4.470 -0.001 0.000 0.228 1268 S C 1.565 176.519 174.600 0.589 0.000 1.027 1268 S CA 1.553 60.181 58.200 0.713 0.000 0.991 1268 S CB -1.032 62.521 63.200 0.587 0.000 0.823 1268 S HN 0.316 nan 8.310 nan 0.000 0.469 1269 F N 2.703 122.879 119.950 0.377 0.000 2.102 1269 F HA -0.023 4.503 4.527 -0.001 0.000 0.298 1269 F C 2.301 178.219 175.800 0.197 0.000 1.105 1269 F CA 1.261 59.438 58.000 0.296 0.000 1.239 1269 F CB -1.097 38.107 39.000 0.341 0.000 0.991 1269 F HN 0.208 nan 8.300 nan 0.000 0.474 1270 G N 0.120 108.935 108.800 0.026 0.000 2.476 1270 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.218 1270 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.218 1270 G C 1.746 176.677 174.900 0.051 0.000 1.164 1270 G CA 1.451 46.350 45.100 -0.335 0.000 0.768 1270 G HN 0.359 nan 8.290 nan 0.000 0.560 1271 V N 0.719 120.895 119.914 0.436 0.000 2.515 1271 V HA -0.095 4.024 4.120 -0.001 0.000 0.250 1271 V C 2.666 178.965 176.094 0.342 0.000 1.058 1271 V CA 1.540 64.075 62.300 0.391 0.000 1.064 1271 V CB -0.342 31.559 31.823 0.130 0.000 0.675 1271 V HN 0.398 nan 8.190 nan 0.000 0.461 1272 L N -0.747 120.658 121.223 0.304 0.000 2.046 1272 L HA -0.144 4.196 4.340 -0.001 0.000 0.208 1272 L C 2.301 179.213 176.870 0.070 0.000 1.077 1272 L CA 1.603 56.585 54.840 0.237 0.000 0.747 1272 L CB -0.181 41.964 42.059 0.144 0.000 0.896 1272 L HN 0.220 nan 8.230 nan 0.000 0.432 1273 L N -1.574 119.563 121.223 -0.143 0.000 2.079 1273 L HA -0.268 4.071 4.340 -0.001 0.000 0.210 1273 L C 2.332 179.246 176.870 0.073 0.000 1.081 1273 L CA 1.802 56.553 54.840 -0.147 0.000 0.752 1273 L CB -0.576 41.305 42.059 -0.296 0.000 0.896 1273 L HN 0.536 nan 8.230 nan 0.000 0.433 1274 W N 1.256 122.557 121.300 0.001 0.000 2.381 1274 W HA -0.187 4.472 4.660 -0.001 0.000 0.301 1274 W C 2.439 178.974 176.519 0.027 0.000 1.205 1274 W CA 1.550 58.928 57.345 0.055 0.000 1.285 1274 W CB 0.019 29.549 29.460 0.117 0.000 1.133 1274 W HN 0.086 nan 8.180 nan 0.000 0.521 1275 E N 0.176 120.582 120.200 0.343 0.000 2.118 1275 E HA -0.266 4.083 4.350 -0.001 0.000 0.195 1275 E C 2.174 178.791 176.600 0.029 0.000 0.992 1275 E CA 1.677 58.194 56.400 0.194 0.000 0.804 1275 E CB -0.632 29.263 29.700 0.326 0.000 0.741 1275 E HN 0.372 nan 8.360 nan 0.000 0.458 1276 L N 0.151 121.411 121.223 0.062 0.000 1.994 1276 L HA -0.188 4.151 4.340 -0.001 0.000 0.208 1276 L C 2.455 179.317 176.870 -0.014 0.000 1.071 1276 L CA 0.765 55.642 54.840 0.062 0.000 0.745 1276 L CB -0.262 41.849 42.059 0.086 0.000 0.892 1276 L HN 0.214 nan 8.230 nan 0.000 0.431 1277 M N -0.558 118.994 119.600 -0.080 0.000 2.358 1277 M HA -0.100 4.379 4.480 -0.001 0.000 0.264 1277 M C 2.134 178.337 176.300 -0.163 0.000 1.064 1277 M CA 1.672 56.905 55.300 -0.111 0.000 1.093 1277 M CB -1.471 31.064 32.600 -0.108 0.000 1.401 1277 M HN 0.402 nan 8.290 nan 0.000 0.440 1278 T N -3.723 110.643 114.554 -0.313 0.000 3.069 1278 T HA 0.265 4.614 4.350 -0.001 0.000 0.252 1278 T C 0.693 175.316 174.700 -0.128 0.000 1.053 1278 T CA -0.317 61.599 62.100 -0.308 0.000 0.964 1278 T CB 0.002 68.404 68.868 -0.776 0.000 1.005 1278 T HN 0.422 nan 8.240 nan 0.000 0.532 1279 R N 0.566 121.026 120.500 -0.066 0.000 3.332 1279 R HA -0.126 4.213 4.340 -0.001 0.000 0.263 1279 R C 0.951 177.264 176.300 0.022 0.000 1.053 1279 R CA 0.364 56.473 56.100 0.015 0.000 0.705 1279 R CB -2.183 28.140 30.300 0.038 0.000 1.166 1279 R HN 0.956 nan 8.270 nan 0.000 0.427 1280 G N -1.793 107.014 108.800 0.012 0.000 2.132 1280 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.228 1280 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.228 1280 G C 0.209 175.123 174.900 0.023 0.000 1.000 1280 G CA 0.157 45.290 45.100 0.056 0.000 0.693 1280 G HN 0.851 nan 8.290 nan 0.000 0.515 1281 A N 0.571 123.326 122.820 -0.109 0.000 2.407 1281 A HA 0.723 5.042 4.320 -0.001 0.000 0.248 1281 A C -1.298 176.316 177.584 0.050 0.000 1.082 1281 A CA -0.757 51.165 52.037 -0.191 0.000 0.785 1281 A CB 0.466 18.994 19.000 -0.787 0.000 1.020 1281 A HN 0.271 nan 8.150 nan 0.000 0.489 1282 P HA 0.304 nan 4.420 nan 0.000 0.280 1282 P C -2.796 174.519 177.300 0.025 0.000 1.244 1282 P CA -1.425 61.744 63.100 0.114 0.000 0.784 1282 P CB 0.599 32.354 31.700 0.092 0.000 0.913 1283 P HA 0.115 nan 4.420 nan 0.000 0.278 1283 P C -0.592 176.419 177.300 -0.482 0.000 1.238 1283 P CA -0.262 62.379 63.100 -0.766 0.000 0.794 1283 P CB 0.050 31.064 31.700 -1.144 0.000 0.955 1284 Y N 0.159 120.191 120.300 -0.447 0.000 3.037 1284 Y HA -0.183 4.366 4.550 -0.001 0.000 0.204 1284 Y C -0.915 174.858 175.900 -0.212 0.000 1.275 1284 Y CA -0.031 57.869 58.100 -0.334 0.000 1.066 1284 Y CB -2.709 35.484 38.460 -0.445 0.000 1.305 1284 Y HN 0.440 nan 8.280 nan 0.000 0.499 1285 P HA -0.218 nan 4.420 nan 0.000 0.216 1285 P C 1.108 178.421 177.300 0.022 0.000 1.150 1285 P CA 2.312 65.434 63.100 0.037 0.000 0.843 1285 P CB 0.192 31.948 31.700 0.094 0.000 0.787 1286 D N 0.295 120.703 120.400 0.012 0.000 2.277 1286 D HA -0.061 4.578 4.640 -0.001 0.000 0.208 1286 D C 1.111 177.372 176.300 -0.065 0.000 0.962 1286 D CA 0.223 54.221 54.000 -0.004 0.000 0.865 1286 D CB -1.344 39.473 40.800 0.030 0.000 0.939 1286 D HN 0.189 nan 8.370 nan 0.000 0.510 1287 V N 1.250 121.062 119.914 -0.170 0.000 2.530 1287 V HA 0.119 4.239 4.120 -0.001 0.000 0.282 1287 V C 0.627 176.642 176.094 -0.131 0.000 1.048 1287 V CA -0.700 61.446 62.300 -0.256 0.000 0.997 1287 V CB 0.227 31.647 31.823 -0.671 0.000 0.987 1287 V HN 0.180 nan 8.190 nan 0.000 0.477 1288 N N 3.406 122.067 118.700 -0.066 0.000 2.739 1288 N HA -0.244 4.495 4.740 -0.001 0.000 0.202 1288 N C 1.334 176.873 175.510 0.048 0.000 1.193 1288 N CA 0.894 53.949 53.050 0.008 0.000 0.959 1288 N CB -0.581 37.934 38.487 0.047 0.000 0.995 1288 N HN 1.292 nan 8.380 nan 0.000 0.451 1289 T N -1.005 113.544 114.554 -0.008 0.000 11.768 1289 T HA -0.478 3.871 4.350 -0.001 0.000 0.418 1289 T C 0.776 175.511 174.700 0.060 0.000 1.447 1289 T CA 1.593 63.703 62.100 0.015 0.000 2.407 1289 T CB -1.831 67.073 68.868 0.060 0.000 2.876 1289 T HN 0.483 nan 8.240 nan 0.000 0.925 1290 F N 2.891 122.816 119.950 -0.042 0.000 2.024 1290 F HA 0.041 4.567 4.527 -0.001 0.000 0.301 1290 F C 1.404 177.175 175.800 -0.048 0.000 1.256 1290 F CA 1.896 59.877 58.000 -0.030 0.000 1.205 1290 F CB -0.229 38.757 39.000 -0.024 0.000 0.943 1290 F HN 0.364 nan 8.300 nan 0.000 0.529 1291 D N 0.976 121.344 120.400 -0.052 0.000 2.453 1291 D HA 0.054 4.694 4.640 -0.001 0.000 0.223 1291 D C 0.744 176.978 176.300 -0.110 0.000 1.183 1291 D CA 0.065 53.957 54.000 -0.180 0.000 0.933 1291 D CB 0.573 41.313 40.800 -0.101 0.000 1.038 1291 D HN 0.426 nan 8.370 nan 0.000 0.513 1292 I N 2.469 122.930 120.570 -0.181 0.000 3.419 1292 I HA -0.104 4.066 4.170 -0.001 0.000 0.286 1292 I C 1.655 177.676 176.117 -0.160 0.000 1.268 1292 I CA 0.656 61.812 61.300 -0.239 0.000 1.414 1292 I CB 0.366 38.144 38.000 -0.369 0.000 1.074 1292 I HN 0.138 nan 8.210 nan 0.000 0.457 1293 T N -0.258 114.206 114.554 -0.150 0.000 2.777 1293 T HA -0.099 4.250 4.350 -0.001 0.000 0.266 1293 T C 1.928 176.586 174.700 -0.070 0.000 1.040 1293 T CA 1.639 63.662 62.100 -0.129 0.000 1.141 1293 T CB -0.316 68.461 68.868 -0.152 0.000 0.868 1293 T HN 0.175 nan 8.240 nan 0.000 0.444 1294 V N 0.485 120.374 119.914 -0.041 0.000 2.427 1294 V HA -0.147 3.972 4.120 -0.001 0.000 0.248 1294 V C 2.017 178.122 176.094 0.018 0.000 1.051 1294 V CA 1.403 63.697 62.300 -0.010 0.000 1.048 1294 V CB -0.674 31.156 31.823 0.012 0.000 0.666 1294 V HN 0.484 nan 8.190 nan 0.000 0.456 1295 Y N 0.531 120.763 120.300 -0.112 0.000 2.133 1295 Y HA -0.204 4.345 4.550 -0.001 0.000 0.287 1295 Y C 2.230 178.060 175.900 -0.116 0.000 1.134 1295 Y CA 1.773 59.803 58.100 -0.118 0.000 1.133 1295 Y CB -0.223 38.130 38.460 -0.179 0.000 0.987 1295 Y HN 0.132 nan 8.280 nan 0.000 0.502 1296 L N -0.406 120.813 121.223 -0.007 0.000 2.042 1296 L HA -0.265 4.074 4.340 -0.001 0.000 0.210 1296 L C 2.384 179.209 176.870 -0.075 0.000 1.076 1296 L CA 1.315 56.121 54.840 -0.056 0.000 0.749 1296 L CB -0.796 41.255 42.059 -0.013 0.000 0.893 1296 L HN 0.273 nan 8.230 nan 0.000 0.432 1297 L N -0.549 120.636 121.223 -0.064 0.000 2.353 1297 L HA -0.215 4.125 4.340 -0.001 0.000 0.220 1297 L C 2.455 179.283 176.870 -0.071 0.000 1.133 1297 L CA 0.881 55.688 54.840 -0.056 0.000 0.798 1297 L CB -0.439 41.590 42.059 -0.050 0.000 0.922 1297 L HN 0.386 nan 8.230 nan 0.000 0.445 1298 Q N -0.032 119.701 119.800 -0.113 0.000 2.369 1298 Q HA 0.003 4.342 4.340 -0.001 0.000 0.206 1298 Q C 1.090 177.018 176.000 -0.121 0.000 0.963 1298 Q CA 0.690 56.419 55.803 -0.124 0.000 0.894 1298 Q CB 0.210 28.839 28.738 -0.182 0.000 0.965 1298 Q HN 0.582 nan 8.270 nan 0.000 0.475 1299 G N 0.906 109.632 108.800 -0.122 0.000 2.309 1299 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.183 1299 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.183 1299 G C -0.592 174.241 174.900 -0.111 0.000 1.063 1299 G CA -0.563 44.484 45.100 -0.089 0.000 0.768 1299 G HN 0.105 nan 8.290 nan 0.000 0.490 1300 R N -0.554 119.849 120.500 -0.162 0.000 2.832 1300 R HA 0.923 5.262 4.340 -0.001 0.000 0.271 1300 R C 0.050 176.308 176.300 -0.071 0.000 0.996 1300 R CA -0.935 55.063 56.100 -0.169 0.000 0.977 1300 R CB 1.379 31.413 30.300 -0.443 0.000 1.168 1300 R HN 0.165 nan 8.270 nan 0.000 0.482 1301 R N 0.831 121.311 120.500 -0.033 0.000 2.764 1301 R HA 0.373 4.713 4.340 -0.001 0.000 0.270 1301 R C -0.836 175.399 176.300 -0.108 0.000 1.014 1301 R CA -1.103 54.919 56.100 -0.130 0.000 0.904 1301 R CB 0.898 31.157 30.300 -0.068 0.000 1.236 1301 R HN 0.416 nan 8.270 nan 0.000 0.466 1302 L N 1.888 122.845 121.223 -0.443 0.000 2.506 1302 L HA 0.139 4.478 4.340 -0.001 0.000 0.281 1302 L C 0.684 177.606 176.870 0.087 0.000 1.228 1302 L CA 0.135 54.693 54.840 -0.469 0.000 0.850 1302 L CB 0.051 41.387 42.059 -1.206 0.000 1.110 1302 L HN 0.248 nan 8.230 nan 0.000 0.496 1303 L N 1.998 123.334 121.223 0.187 0.000 2.472 1303 L HA 0.144 4.484 4.340 -0.001 0.000 0.260 1303 L C 0.520 177.533 176.870 0.238 0.000 1.209 1303 L CA -0.226 54.756 54.840 0.237 0.000 0.817 1303 L CB 0.345 42.512 42.059 0.180 0.000 1.106 1303 L HN 0.620 nan 8.230 nan 0.000 0.479 1304 Q N 2.299 121.947 119.800 -0.252 0.000 2.286 1304 Q HA 0.197 4.537 4.340 -0.001 0.000 0.267 1304 Q C -2.261 173.616 176.000 -0.205 0.000 1.028 1304 Q CA -1.456 53.970 55.803 -0.627 0.000 0.901 1304 Q CB 0.896 29.000 28.738 -1.056 0.000 1.183 1304 Q HN 0.248 nan 8.270 nan 0.000 0.392 1305 P HA -0.052 nan 4.420 nan 0.000 0.269 1305 P C -0.286 176.892 177.300 -0.203 0.000 1.209 1305 P CA 0.083 63.085 63.100 -0.163 0.000 0.776 1305 P CB 0.704 32.246 31.700 -0.264 0.000 0.876 1306 E N 1.121 121.161 120.200 -0.268 0.000 2.086 1306 E HA -0.263 4.086 4.350 -0.001 0.000 0.200 1306 E C 0.523 176.822 176.600 -0.502 0.000 1.012 1306 E CA 1.769 57.897 56.400 -0.454 0.000 0.812 1306 E CB -0.698 28.588 29.700 -0.689 0.000 0.743 1306 E HN 0.550 nan 8.360 nan 0.000 0.453 1307 Y N 0.042 120.291 120.300 -0.085 0.000 2.470 1307 Y HA 0.192 4.741 4.550 -0.001 0.000 0.284 1307 Y C 0.600 176.444 175.900 -0.093 0.000 1.188 1307 Y CA -0.908 57.140 58.100 -0.086 0.000 1.269 1307 Y CB 0.066 38.467 38.460 -0.097 0.000 1.094 1307 Y HN 0.089 nan 8.280 nan 0.000 0.518 1308 C N 4.001 123.290 119.300 -0.019 0.000 2.394 1308 C HA 0.413 4.873 4.460 -0.001 0.000 0.362 1308 C C -2.182 172.810 174.990 0.004 0.000 1.268 1308 C CA -2.425 56.586 59.018 -0.012 0.000 1.828 1308 C CB -0.329 27.397 27.740 -0.022 0.000 2.442 1308 C HN 0.169 nan 8.230 nan 0.000 0.549 1309 P HA 0.148 nan 4.420 nan 0.000 0.268 1309 P C 0.400 177.744 177.300 0.073 0.000 1.205 1309 P CA 0.292 63.421 63.100 0.048 0.000 0.771 1309 P CB 0.608 32.335 31.700 0.045 0.000 0.858 1310 D N 4.306 124.750 120.400 0.073 0.000 2.157 1310 D HA -0.181 4.458 4.640 -0.001 0.000 0.191 1310 D C -0.577 175.793 176.300 0.116 0.000 1.004 1310 D CA 2.066 56.129 54.000 0.105 0.000 0.854 1310 D CB -1.782 39.064 40.800 0.077 0.000 0.936 1310 D HN 0.439 nan 8.370 nan 0.000 0.446 1311 P HA -0.096 nan 4.420 nan 0.000 0.217 1311 P C 1.895 179.224 177.300 0.049 0.000 1.150 1311 P CA 0.694 63.828 63.100 0.056 0.000 0.832 1311 P CB 0.050 31.779 31.700 0.049 0.000 0.787 1312 L N -1.394 119.867 121.223 0.062 0.000 2.093 1312 L HA -0.125 4.214 4.340 -0.001 0.000 0.208 1312 L C 2.629 179.533 176.870 0.055 0.000 1.085 1312 L CA 1.588 56.456 54.840 0.047 0.000 0.755 1312 L CB -1.457 40.629 42.059 0.046 0.000 0.904 1312 L HN -0.171 nan 8.230 nan 0.000 0.435 1313 Y N 0.564 120.845 120.300 -0.031 0.000 2.293 1313 Y HA -0.187 4.362 4.550 -0.001 0.000 0.291 1313 Y C 2.319 178.179 175.900 -0.066 0.000 1.137 1313 Y CA 1.763 59.843 58.100 -0.033 0.000 1.202 1313 Y CB -0.132 38.339 38.460 0.018 0.000 0.990 1313 Y HN 0.373 nan 8.280 nan 0.000 0.537 1314 E N -1.176 118.974 120.200 -0.083 0.000 2.204 1314 E HA -0.140 4.210 4.350 -0.001 0.000 0.194 1314 E C 2.208 178.681 176.600 -0.211 0.000 0.989 1314 E CA 1.095 57.399 56.400 -0.160 0.000 0.824 1314 E CB -0.063 29.608 29.700 -0.047 0.000 0.756 1314 E HN 0.299 nan 8.360 nan 0.000 0.477 1315 V N 0.983 120.789 119.914 -0.180 0.000 2.346 1315 V HA -0.237 3.882 4.120 -0.001 0.000 0.244 1315 V C 2.149 178.021 176.094 -0.369 0.000 1.037 1315 V CA 1.473 63.660 62.300 -0.188 0.000 1.029 1315 V CB -0.265 31.509 31.823 -0.082 0.000 0.663 1315 V HN 0.309 nan 8.190 nan 0.000 0.454 1316 M N -0.631 118.660 119.600 -0.516 0.000 2.108 1316 M HA -0.203 4.277 4.480 -0.001 0.000 0.261 1316 M C 2.138 177.673 176.300 -1.276 0.000 1.066 1316 M CA 1.956 56.631 55.300 -1.042 0.000 1.107 1316 M CB -0.576 31.406 32.600 -1.030 0.000 1.356 1316 M HN 0.236 nan 8.290 nan 0.000 0.406 1317 L N -0.187 120.556 121.223 -0.799 0.000 2.265 1317 L HA -0.190 4.150 4.340 -0.001 0.000 0.215 1317 L C 2.361 179.053 176.870 -0.298 0.000 1.117 1317 L CA 1.180 55.751 54.840 -0.449 0.000 0.782 1317 L CB -0.542 41.287 42.059 -0.383 0.000 0.914 1317 L HN 0.342 nan 8.230 nan 0.000 0.441 1318 K N -0.976 119.242 120.400 -0.304 0.000 2.186 1318 K HA -0.044 4.275 4.320 -0.001 0.000 0.202 1318 K C 2.106 178.611 176.600 -0.159 0.000 1.052 1318 K CA 0.879 57.079 56.287 -0.145 0.000 0.965 1318 K CB -0.031 32.400 32.500 -0.115 0.000 0.746 1318 K HN 0.316 nan 8.250 nan 0.000 0.457 1319 C N 0.057 119.141 119.300 -0.359 0.000 2.432 1319 C HA -0.050 4.409 4.460 -0.001 0.000 0.282 1319 C C 1.298 176.098 174.990 -0.317 0.000 1.388 1319 C CA 0.055 58.864 59.018 -0.347 0.000 1.777 1319 C CB -0.713 26.741 27.740 -0.477 0.000 1.882 1319 C HN 0.570 nan 8.230 nan 0.000 0.520 1320 W N 0.154 121.220 121.300 -0.391 0.000 3.194 1320 W HA 0.274 4.934 4.660 -0.001 0.000 0.408 1320 W C 0.974 177.349 176.519 -0.239 0.000 1.072 1320 W CA -0.730 56.147 57.345 -0.780 0.000 1.953 1320 W CB -1.535 27.260 29.460 -1.109 0.000 1.091 1320 W HN 0.425 nan 8.180 nan 0.000 0.699 1321 H N 2.625 121.734 119.070 0.064 0.000 3.064 1321 H HA -0.039 4.516 4.556 -0.001 0.000 0.329 1321 H C -1.353 174.115 175.328 0.233 0.000 1.020 1321 H CA -0.139 55.975 56.048 0.109 0.000 1.402 1321 H CB 1.247 31.041 29.762 0.054 0.000 1.379 1321 H HN -0.136 nan 8.280 nan 0.000 0.594 1322 P HA -0.097 nan 4.420 nan 0.000 0.216 1322 P C -0.316 177.191 177.300 0.344 0.000 1.150 1322 P CA 1.677 64.950 63.100 0.288 0.000 0.837 1322 P CB 0.275 32.042 31.700 0.112 0.000 0.786 1323 K N -0.269 120.451 120.400 0.533 0.000 2.266 1323 K HA 0.427 4.746 4.320 -0.001 0.000 0.274 1323 K C 1.211 177.871 176.600 0.100 0.000 1.090 1323 K CA -0.192 56.227 56.287 0.219 0.000 0.925 1323 K CB 0.582 33.151 32.500 0.117 0.000 1.225 1323 K HN -0.126 nan 8.250 nan 0.000 0.458 1324 A N 3.482 126.367 122.820 0.109 0.000 1.944 1324 A HA -0.310 4.009 4.320 -0.001 0.000 0.222 1324 A C 1.944 179.531 177.584 0.004 0.000 1.237 1324 A CA 2.312 54.398 52.037 0.082 0.000 0.668 1324 A CB -0.415 18.619 19.000 0.056 0.000 0.830 1324 A HN 0.872 nan 8.150 nan 0.000 0.471 1325 E N -1.031 119.147 120.200 -0.036 0.000 2.347 1325 E HA -0.124 4.225 4.350 -0.001 0.000 0.196 1325 E C 1.362 177.879 176.600 -0.138 0.000 1.008 1325 E CA 1.010 57.369 56.400 -0.068 0.000 0.852 1325 E CB -0.402 29.267 29.700 -0.051 0.000 0.783 1325 E HN 0.535 nan 8.360 nan 0.000 0.505 1326 M N 0.976 120.414 119.600 -0.270 0.000 2.561 1326 M HA 0.166 4.645 4.480 -0.001 0.000 0.238 1326 M C 0.592 176.698 176.300 -0.324 0.000 1.131 1326 M CA 0.160 55.193 55.300 -0.445 0.000 1.046 1326 M CB -0.472 31.454 32.600 -1.123 0.000 1.532 1326 M HN -0.062 nan 8.290 nan 0.000 0.497 1327 R N 1.343 121.736 120.500 -0.178 0.000 2.490 1327 R HA 0.221 4.560 4.340 -0.001 0.000 0.280 1327 R C -2.183 174.051 176.300 -0.111 0.000 1.077 1327 R CA -1.548 54.501 56.100 -0.085 0.000 1.065 1327 R CB -0.201 30.089 30.300 -0.017 0.000 1.003 1327 R HN 0.001 nan 8.270 nan 0.000 0.470 1328 P HA -0.049 nan 4.420 nan 0.000 0.267 1328 P C -0.381 176.802 177.300 -0.194 0.000 1.200 1328 P CA -0.068 62.954 63.100 -0.130 0.000 0.772 1328 P CB 0.725 32.351 31.700 -0.123 0.000 0.855 1329 S N 1.378 116.985 115.700 -0.155 0.000 2.645 1329 S HA 0.251 4.720 4.470 -0.001 0.000 0.266 1329 S C 0.823 175.293 174.600 -0.217 0.000 1.258 1329 S CA -0.289 57.808 58.200 -0.172 0.000 0.990 1329 S CB -0.058 63.105 63.200 -0.061 0.000 0.967 1329 S HN 0.194 nan 8.310 nan 0.000 0.556 1330 F N 0.780 120.674 119.950 -0.094 0.000 2.365 1330 F HA 0.012 4.538 4.527 -0.001 0.000 0.300 1330 F C 2.699 178.424 175.800 -0.126 0.000 1.090 1330 F CA 0.993 58.897 58.000 -0.161 0.000 1.408 1330 F CB -0.726 38.169 39.000 -0.175 0.000 1.060 1330 F HN 0.544 nan 8.300 nan 0.000 0.534 1331 S N -0.682 115.062 115.700 0.073 0.000 2.371 1331 S HA -0.184 4.285 4.470 -0.001 0.000 0.224 1331 S C 2.005 176.612 174.600 0.011 0.000 1.029 1331 S CA 1.077 59.300 58.200 0.039 0.000 0.978 1331 S CB -0.313 62.906 63.200 0.031 0.000 0.833 1331 S HN 0.480 nan 8.310 nan 0.000 0.466 1332 E N 1.257 121.450 120.200 -0.012 0.000 2.110 1332 E HA -0.108 4.241 4.350 -0.001 0.000 0.193 1332 E C 1.948 178.537 176.600 -0.019 0.000 0.988 1332 E CA 0.748 57.136 56.400 -0.020 0.000 0.804 1332 E CB -0.174 29.503 29.700 -0.038 0.000 0.745 1332 E HN 0.404 nan 8.360 nan 0.000 0.458 1333 L N 0.306 121.503 121.223 -0.043 0.000 2.012 1333 L HA -0.200 4.139 4.340 -0.001 0.000 0.210 1333 L C 2.559 179.438 176.870 0.014 0.000 1.073 1333 L CA 0.895 55.719 54.840 -0.026 0.000 0.748 1333 L CB -0.359 41.633 42.059 -0.111 0.000 0.891 1333 L HN 0.114 nan 8.230 nan 0.000 0.431 1334 V N -1.160 118.759 119.914 0.008 0.000 2.332 1334 V HA -0.317 3.802 4.120 -0.001 0.000 0.248 1334 V C 2.668 178.778 176.094 0.026 0.000 1.055 1334 V CA 2.024 64.333 62.300 0.016 0.000 1.038 1334 V CB -0.375 31.456 31.823 0.014 0.000 0.651 1334 V HN 0.457 nan 8.190 nan 0.000 0.450 1335 S N -0.446 115.268 115.700 0.024 0.000 2.343 1335 S HA -0.206 4.264 4.470 -0.001 0.000 0.219 1335 S C 2.197 176.819 174.600 0.037 0.000 1.033 1335 S CA 1.703 59.920 58.200 0.028 0.000 1.014 1335 S CB -0.189 63.022 63.200 0.020 0.000 0.915 1335 S HN 0.555 nan 8.310 nan 0.000 0.435 1336 R N 0.254 120.773 120.500 0.032 0.000 2.073 1336 R HA 0.020 4.359 4.340 -0.001 0.000 0.234 1336 R C 2.339 178.676 176.300 0.063 0.000 1.134 1336 R CA 1.857 57.980 56.100 0.039 0.000 0.952 1336 R CB -0.508 29.807 30.300 0.025 0.000 0.850 1336 R HN 0.467 nan 8.270 nan 0.000 0.433 1337 I N 0.670 121.285 120.570 0.076 0.000 2.315 1337 I HA -0.249 3.920 4.170 -0.001 0.000 0.248 1337 I C 2.571 178.761 176.117 0.122 0.000 1.117 1337 I CA 1.324 62.685 61.300 0.102 0.000 1.404 1337 I CB -0.344 37.732 38.000 0.128 0.000 1.071 1337 I HN 0.244 nan 8.210 nan 0.000 0.419 1338 S N 1.320 117.074 115.700 0.091 0.000 2.402 1338 S HA -0.123 4.347 4.470 -0.001 0.000 0.229 1338 S C 2.195 176.909 174.600 0.190 0.000 1.021 1338 S CA 0.844 59.115 58.200 0.120 0.000 0.974 1338 S CB -0.389 62.847 63.200 0.060 0.000 0.800 1338 S HN 0.385 nan 8.310 nan 0.000 0.484 1339 A N 2.260 125.156 122.820 0.126 0.000 1.841 1339 A HA 0.121 4.441 4.320 -0.001 0.000 0.214 1339 A C 2.236 179.889 177.584 0.115 0.000 1.195 1339 A CA 1.455 53.554 52.037 0.104 0.000 0.611 1339 A CB -0.971 18.070 19.000 0.068 0.000 0.835 1339 A HN 0.563 nan 8.150 nan 0.000 0.443 1340 I N -1.477 119.162 120.570 0.116 0.000 2.248 1340 I HA -0.277 3.892 4.170 -0.001 0.000 0.248 1340 I C 2.370 178.570 176.117 0.139 0.000 1.107 1340 I CA 1.824 63.188 61.300 0.107 0.000 1.373 1340 I CB -0.344 37.712 38.000 0.093 0.000 1.055 1340 I HN 0.500 nan 8.210 nan 0.000 0.418 1341 F N 1.777 121.740 119.950 0.021 0.000 2.146 1341 F HA -0.253 4.274 4.527 -0.001 0.000 0.298 1341 F C 2.786 178.611 175.800 0.042 0.000 1.096 1341 F CA 1.607 59.617 58.000 0.018 0.000 1.275 1341 F CB -0.385 38.620 39.000 0.008 0.000 1.008 1341 F HN 0.115 nan 8.300 nan 0.000 0.480 1342 S N -0.769 114.964 115.700 0.054 0.000 2.419 1342 S HA -0.218 4.251 4.470 -0.001 0.000 0.233 1342 S C 2.009 176.543 174.600 -0.110 0.000 1.016 1342 S CA 1.429 59.590 58.200 -0.065 0.000 0.974 1342 S CB -1.610 61.625 63.200 0.059 0.000 0.786 1342 S HN 0.626 nan 8.310 nan 0.000 0.492 1343 T N -2.114 112.411 114.554 -0.048 0.000 3.055 1343 T HA 0.176 4.525 4.350 -0.001 0.000 0.265 1343 T C 0.259 174.921 174.700 -0.062 0.000 1.111 1343 T CA -0.155 61.923 62.100 -0.037 0.000 1.118 1343 T CB -0.653 68.223 68.868 0.013 0.000 0.909 1343 T HN 0.315 nan 8.240 nan 0.000 0.501 1344 F N 2.057 121.838 119.950 -0.282 0.000 2.379 1344 F HA 0.525 5.051 4.527 -0.001 0.000 0.332 1344 F C 1.070 176.649 175.800 -0.369 0.000 1.096 1344 F CA -1.999 55.796 58.000 -0.341 0.000 1.105 1344 F CB 1.183 39.967 39.000 -0.360 0.000 1.189 1344 F HN 0.082 nan 8.300 nan 0.000 0.515 1345 I N 0.753 120.763 120.570 -0.933 0.000 4.139 1345 I HA 0.464 4.634 4.170 -0.001 0.000 0.335 1345 I C 0.955 176.725 176.117 -0.579 0.000 1.327 1345 I CA 0.336 61.265 61.300 -0.619 0.000 1.112 1345 I CB 0.338 38.041 38.000 -0.494 0.000 1.058 1345 I HN 0.752 nan 8.210 nan 0.000 0.396 1346 G N 2.906 111.185 108.800 -0.868 0.000 2.141 1346 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.195 1346 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.195 1346 G C 0.440 175.093 174.900 -0.412 0.000 1.012 1346 G CA 0.327 45.255 45.100 -0.286 0.000 0.696 1346 G HN 0.756 nan 8.290 nan 0.000 0.508 1347 E N -0.150 119.602 120.200 -0.747 0.000 2.476 1347 E HA 0.130 4.480 4.350 -0.001 0.000 0.196 1347 E C -0.353 176.274 176.600 0.046 0.000 1.029 1347 E CA -0.441 55.748 56.400 -0.352 0.000 0.896 1347 E CB 0.168 29.686 29.700 -0.303 0.000 1.012 1347 E HN 0.459 nan 8.360 nan 0.000 0.475 1348 H N 0.710 119.860 119.070 0.133 0.000 2.685 1348 H HA 0.264 4.819 4.556 -0.001 0.000 0.307 1348 H C -1.268 173.917 175.328 -0.239 0.000 1.017 1348 H CA -1.107 55.015 56.048 0.123 0.000 1.237 1348 H CB -0.324 29.651 29.762 0.355 0.000 1.409 1348 H HN 0.077 nan 8.280 nan 0.000 0.488 1349 Y N 1.167 121.441 120.300 -0.044 0.000 2.346 1349 Y HA 0.231 4.780 4.550 -0.001 0.000 0.330 1349 Y C 0.694 176.130 175.900 -0.774 0.000 1.178 1349 Y CA -0.259 57.653 58.100 -0.313 0.000 1.331 1349 Y CB 1.010 39.316 38.460 -0.258 0.000 1.253 1349 Y HN 0.255 nan 8.280 nan 0.000 0.529 1350 V N 4.684 124.209 119.914 -0.649 0.000 2.398 1350 V HA 0.269 4.388 4.120 -0.001 0.000 0.286 1350 V C -0.152 175.472 176.094 -0.783 0.000 1.026 1350 V CA -0.798 60.943 62.300 -0.931 0.000 0.868 1350 V CB 0.622 32.184 31.823 -0.435 0.000 0.982 1350 V HN 0.734 nan 8.190 nan 0.000 0.443 1351 H N 2.503 121.338 119.070 -0.392 0.000 2.676 1351 H HA 0.614 5.169 4.556 -0.001 0.000 0.352 1351 H C -0.235 175.190 175.328 0.162 0.000 1.193 1351 H CA -0.638 55.404 56.048 -0.010 0.000 1.243 1351 H CB 2.256 32.051 29.762 0.055 0.000 1.751 1351 H HN 0.552 nan 8.280 nan 0.000 0.567 1352 V N 0.651 120.712 119.914 0.245 0.000 2.607 1352 V HA 0.235 4.354 4.120 -0.001 0.000 0.289 1352 V C 0.463 176.652 176.094 0.158 0.000 1.053 1352 V CA -0.857 61.554 62.300 0.186 0.000 0.996 1352 V CB 1.246 33.148 31.823 0.132 0.000 0.995 1352 V HN 0.682 nan 8.190 nan 0.000 0.476 1353 N N 4.053 122.823 118.700 0.118 0.000 2.497 1353 N HA 0.325 5.064 4.740 -0.001 0.000 0.271 1353 N C 1.006 176.493 175.510 -0.040 0.000 1.142 1353 N CA 0.508 53.531 53.050 -0.046 0.000 0.965 1353 N CB 1.602 39.898 38.487 -0.319 0.000 1.077 1353 N HN 0.995 nan 8.380 nan 0.000 0.462 1354 A N 2.904 125.691 122.820 -0.055 0.000 1.940 1354 A HA -0.194 4.125 4.320 -0.001 0.000 0.219 1354 A C 1.950 179.515 177.584 -0.032 0.000 1.176 1354 A CA 2.443 54.463 52.037 -0.029 0.000 0.631 1354 A CB -1.302 17.677 19.000 -0.035 0.000 0.814 1354 A HN 0.861 nan 8.150 nan 0.000 0.446 1355 T N -4.492 109.993 114.554 -0.115 0.000 3.051 1355 T HA -0.076 4.273 4.350 -0.001 0.000 0.269 1355 T C 1.472 176.192 174.700 0.033 0.000 1.127 1355 T CA 1.284 63.328 62.100 -0.093 0.000 1.107 1355 T CB -0.414 68.352 68.868 -0.171 0.000 0.898 1355 T HN 0.430 nan 8.240 nan 0.000 0.517 1356 Y N 1.070 121.389 120.300 0.033 0.000 2.503 1356 Y HA 0.439 4.988 4.550 -0.001 0.000 0.277 1356 Y C 1.325 177.249 175.900 0.041 0.000 1.102 1356 Y CA -1.759 56.367 58.100 0.043 0.000 1.261 1356 Y CB -0.367 38.109 38.460 0.028 0.000 1.096 1356 Y HN 0.042 nan 8.280 nan 0.000 0.546 1357 V N 3.243 123.267 119.914 0.184 0.000 2.557 1357 V HA -0.058 4.061 4.120 -0.001 0.000 0.301 1357 V C 0.516 176.665 176.094 0.092 0.000 1.026 1357 V CA 0.468 62.837 62.300 0.115 0.000 1.137 1357 V CB -0.225 31.643 31.823 0.075 0.000 0.917 1357 V HN 0.582 nan 8.190 nan 0.000 0.484 1358 N N 1.524 120.271 118.700 0.078 0.000 2.925 1358 N HA -0.142 4.598 4.740 -0.001 0.000 0.244 1358 N C -0.366 175.187 175.510 0.071 0.000 1.000 1358 N CA 0.880 53.968 53.050 0.063 0.000 0.895 1358 N CB -1.126 37.391 38.487 0.050 0.000 1.119 1358 N HN 0.497 nan 8.380 nan 0.000 0.569 1359 V N 1.010 120.979 119.914 0.092 0.000 2.509 1359 V HA 0.329 4.449 4.120 -0.001 0.000 0.284 1359 V C 0.925 177.067 176.094 0.081 0.000 1.047 1359 V CA -0.348 62.009 62.300 0.094 0.000 0.952 1359 V CB 2.095 33.998 31.823 0.133 0.000 0.988 1359 V HN -0.021 nan 8.190 nan 0.000 0.469 1360 K N 0.000 120.444 120.400 0.074 0.000 2.780 1360 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 1360 K CA 0.000 56.331 56.287 0.073 0.000 0.838 1360 K CB 0.000 32.536 32.500 0.060 0.000 1.064 1360 K HN 0.000 nan 8.250 nan 0.000 0.543