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 1r0p_1_A DATA FIRST_RESID 1050 DATA SEQUENCE TVHIDLSALN PELVQAVQHV VIGPSSLIVH FNEVIGRGHF GCVYHGTLLD DATA SEQUENCE XXXXKIHCAV KSLNRITDIG EVSQFLTEGI IMKDFSHPNV LSLLGICLRS DATA SEQUENCE EGSPLVVLPY MKHGDLRNFI RNETHNPTVK DLIGFGLQVA KGMKFLASKK DATA SEQUENCE FVHRDLAARN CMLDEKFTVK VADFGLARDM YDKEFDSVHN KTGAKLPVKW DATA SEQUENCE MALESLQTQK FTTKSDVWSF GVLLWELMTR GAPPYPXXXX XXITVYLLQG DATA SEQUENCE RRLLQPEYCP DPLYEVMLKC WHPKAEMRPS FSELVSRISA IFSTFIGEHY DATA SEQUENCE VHVNATYVNV K 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 1050 T HA 0.000 nan 4.350 nan 0.000 0.228 1050 T C 0.000 174.716 174.700 0.026 0.000 1.109 1050 T CA 0.000 62.107 62.100 0.012 0.000 1.349 1050 T CB 0.000 68.873 68.868 0.008 0.000 0.612 1051 V N 3.709 123.637 119.914 0.023 0.000 2.508 1051 V HA 0.293 4.413 4.120 -0.000 0.000 0.281 1051 V C 0.688 176.819 176.094 0.062 0.000 1.041 1051 V CA -0.556 61.764 62.300 0.034 0.000 1.016 1051 V CB 0.492 32.320 31.823 0.009 0.000 0.984 1051 V HN 0.541 nan 8.190 nan 0.000 0.478 1052 H N 5.779 124.842 119.070 -0.013 0.000 2.683 1052 H HA 0.438 4.994 4.556 -0.000 0.000 0.339 1052 H C -0.744 174.576 175.328 -0.013 0.000 1.081 1052 H CA -0.373 55.667 56.048 -0.013 0.000 1.432 1052 H CB 1.202 30.958 29.762 -0.011 0.000 1.462 1052 H HN 0.617 nan 8.280 nan 0.000 0.557 1053 I N 5.204 125.427 120.570 -0.578 0.000 2.466 1053 I HA 0.116 4.286 4.170 -0.000 0.000 0.289 1053 I C -1.120 174.605 176.117 -0.653 0.000 1.026 1053 I CA -0.740 60.261 61.300 -0.498 0.000 1.078 1053 I CB 1.581 39.449 38.000 -0.219 0.000 1.249 1053 I HN 0.576 nan 8.210 nan 0.000 0.429 1054 D N 7.392 127.516 120.400 -0.459 0.000 2.373 1054 D HA 0.252 4.892 4.640 -0.000 0.000 0.227 1054 D C 0.708 176.943 176.300 -0.108 0.000 1.091 1054 D CA -0.209 53.661 54.000 -0.217 0.000 0.840 1054 D CB 1.435 42.191 40.800 -0.073 0.000 1.060 1054 D HN 0.597 nan 8.370 nan 0.000 0.502 1055 L N 2.713 123.894 121.223 -0.071 0.000 2.551 1055 L HA -0.082 4.258 4.340 -0.000 0.000 0.228 1055 L C 2.231 179.091 176.870 -0.018 0.000 1.153 1055 L CA 0.428 55.244 54.840 -0.041 0.000 0.851 1055 L CB -0.288 41.754 42.059 -0.028 0.000 0.959 1055 L HN 0.365 nan 8.230 nan 0.000 0.451 1056 S N -0.056 115.638 115.700 -0.011 0.000 2.507 1056 S HA -0.062 4.408 4.470 -0.000 0.000 0.235 1056 S C 1.924 176.523 174.600 -0.002 0.000 0.988 1056 S CA 0.635 58.835 58.200 -0.000 0.000 0.944 1056 S CB -0.128 63.077 63.200 0.008 0.000 0.762 1056 S HN 0.350 nan 8.310 nan 0.000 0.526 1057 A N 0.924 123.738 122.820 -0.011 0.000 2.206 1057 A HA 0.411 4.731 4.320 -0.000 0.000 0.211 1057 A C 0.885 178.466 177.584 -0.005 0.000 1.158 1057 A CA -0.133 51.899 52.037 -0.009 0.000 0.761 1057 A CB -0.501 18.489 19.000 -0.017 0.000 0.801 1057 A HN 0.574 nan 8.150 nan 0.000 0.473 1058 L N 0.776 121.997 121.223 -0.003 0.000 2.483 1058 L HA 0.015 4.355 4.340 -0.000 0.000 0.276 1058 L C 0.760 177.633 176.870 0.006 0.000 1.213 1058 L CA -0.469 54.373 54.840 0.004 0.000 0.843 1058 L CB 0.080 42.145 42.059 0.009 0.000 1.107 1058 L HN 0.296 nan 8.230 nan 0.000 0.487 1059 N N 3.858 122.563 118.700 0.008 0.000 2.440 1059 N HA 0.008 4.748 4.740 -0.000 0.000 0.265 1059 N C -1.702 173.814 175.510 0.010 0.000 1.239 1059 N CA -1.233 51.822 53.050 0.008 0.000 0.909 1059 N CB 1.254 39.747 38.487 0.009 0.000 1.066 1059 N HN 0.284 nan 8.380 nan 0.000 0.474 1060 P HA -0.129 nan 4.420 nan 0.000 0.218 1060 P C 0.571 177.878 177.300 0.012 0.000 1.148 1060 P CA 1.378 64.484 63.100 0.010 0.000 0.822 1060 P CB 0.350 32.056 31.700 0.009 0.000 0.784 1061 E N -0.704 119.503 120.200 0.011 0.000 2.072 1061 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 1061 E C 1.947 178.556 176.600 0.015 0.000 0.985 1061 E CA 0.642 57.049 56.400 0.012 0.000 0.801 1061 E CB -0.669 29.037 29.700 0.009 0.000 0.750 1061 E HN 0.129 nan 8.360 nan 0.000 0.452 1062 L N 0.836 122.068 121.223 0.014 0.000 2.056 1062 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 1062 L C 2.203 179.085 176.870 0.019 0.000 1.078 1062 L CA 1.309 56.158 54.840 0.016 0.000 0.749 1062 L CB -0.262 41.805 42.059 0.013 0.000 0.901 1062 L HN -0.066 nan 8.230 nan 0.000 0.433 1063 V N -0.259 119.667 119.914 0.019 0.000 2.343 1063 V HA -0.342 3.778 4.120 -0.000 0.000 0.247 1063 V C 2.580 178.689 176.094 0.026 0.000 1.051 1063 V CA 2.046 64.358 62.300 0.020 0.000 1.036 1063 V CB -0.754 31.079 31.823 0.017 0.000 0.654 1063 V HN 0.662 nan 8.190 nan 0.000 0.451 1064 Q N 0.123 119.939 119.800 0.026 0.000 2.084 1064 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 1064 Q C 2.199 178.231 176.000 0.054 0.000 0.978 1064 Q CA 2.001 57.824 55.803 0.033 0.000 0.844 1064 Q CB -0.310 28.441 28.738 0.022 0.000 0.898 1064 Q HN 0.622 nan 8.270 nan 0.000 0.426 1065 A N -0.111 122.740 122.820 0.052 0.000 2.015 1065 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 1065 A C 1.980 179.660 177.584 0.160 0.000 1.163 1065 A CA 1.329 53.414 52.037 0.080 0.000 0.646 1065 A CB -0.329 18.702 19.000 0.051 0.000 0.806 1065 A HN 0.354 nan 8.150 nan 0.000 0.448 1066 V N -0.657 119.305 119.914 0.081 0.000 3.650 1066 V HA -0.042 4.078 4.120 -0.000 0.000 0.271 1066 V C 2.011 178.084 176.094 -0.034 0.000 1.281 1066 V CA 0.855 63.153 62.300 -0.004 0.000 1.120 1066 V CB -0.291 31.502 31.823 -0.050 0.000 0.856 1066 V HN 0.480 nan 8.190 nan 0.000 0.443 1067 Q N 0.774 120.611 119.800 0.061 0.000 2.152 1067 Q HA -0.210 4.130 4.340 -0.000 0.000 0.206 1067 Q C 2.052 178.073 176.000 0.035 0.000 0.985 1067 Q CA 2.111 57.939 55.803 0.042 0.000 0.863 1067 Q CB -0.609 28.164 28.738 0.059 0.000 0.904 1067 Q HN 1.001 nan 8.270 nan 0.000 0.422 1068 H N -1.240 117.820 119.070 -0.017 0.000 2.546 1068 H HA 0.039 4.595 4.556 -0.000 0.000 0.277 1068 H C 1.454 176.767 175.328 -0.025 0.000 1.004 1068 H CA 0.991 57.029 56.048 -0.017 0.000 1.231 1068 H CB -0.177 29.577 29.762 -0.015 0.000 1.382 1068 H HN 0.036 nan 8.280 nan 0.000 0.580 1069 V N 0.955 120.552 119.914 -0.529 0.000 3.590 1069 V HA 0.047 4.167 4.120 -0.000 0.000 0.265 1069 V C 1.111 177.089 176.094 -0.193 0.000 1.239 1069 V CA 0.062 62.122 62.300 -0.400 0.000 1.117 1069 V CB 0.310 31.855 31.823 -0.463 0.000 0.818 1069 V HN 0.064 nan 8.190 nan 0.000 0.451 1070 V N 1.957 121.795 119.914 -0.127 0.000 2.530 1070 V HA 0.282 4.402 4.120 -0.000 0.000 0.282 1070 V C -0.033 176.036 176.094 -0.041 0.000 1.048 1070 V CA -0.069 62.194 62.300 -0.062 0.000 0.997 1070 V CB 1.494 33.299 31.823 -0.031 0.000 0.987 1070 V HN 0.239 nan 8.190 nan 0.000 0.477 1071 I N 4.146 124.698 120.570 -0.030 0.000 2.312 1071 I HA 0.424 4.594 4.170 -0.000 0.000 0.290 1071 I C 1.061 177.171 176.117 -0.012 0.000 1.008 1071 I CA -0.099 61.188 61.300 -0.022 0.000 1.226 1071 I CB 1.337 39.322 38.000 -0.025 0.000 1.371 1071 I HN 0.734 nan 8.210 nan 0.000 0.468 1072 G N 6.934 115.729 108.800 -0.009 0.000 2.569 1072 G HA2 0.209 4.169 3.960 -0.000 0.000 0.249 1072 G HA3 0.209 4.169 3.960 -0.000 0.000 0.249 1072 G C -1.374 173.522 174.900 -0.007 0.000 1.216 1072 G CA -0.853 44.245 45.100 -0.004 0.000 0.845 1072 G HN 0.464 nan 8.290 nan 0.000 0.568 1073 P HA -0.123 nan 4.420 nan 0.000 0.221 1073 P C 1.843 179.138 177.300 -0.009 0.000 1.150 1073 P CA 1.536 64.633 63.100 -0.005 0.000 0.800 1073 P CB 0.210 31.912 31.700 0.003 0.000 0.787 1074 S N -1.131 114.565 115.700 -0.006 0.000 2.489 1074 S HA 0.015 4.485 4.470 -0.000 0.000 0.228 1074 S C 1.808 176.402 174.600 -0.010 0.000 0.995 1074 S CA 0.748 58.944 58.200 -0.006 0.000 0.934 1074 S CB -1.022 62.176 63.200 -0.003 0.000 0.771 1074 S HN 0.026 nan 8.310 nan 0.000 0.522 1075 S N 0.569 116.261 115.700 -0.013 0.000 2.548 1075 S HA 0.395 4.865 4.470 -0.000 0.000 0.215 1075 S C -0.131 174.452 174.600 -0.027 0.000 0.976 1075 S CA -0.285 57.905 58.200 -0.016 0.000 0.908 1075 S CB -0.096 63.096 63.200 -0.013 0.000 0.781 1075 S HN 0.548 nan 8.310 nan 0.000 0.519 1076 L N 1.396 122.595 121.223 -0.039 0.000 2.409 1076 L HA 0.595 4.935 4.340 -0.000 0.000 0.272 1076 L C -1.510 175.299 176.870 -0.101 0.000 0.980 1076 L CA -0.487 54.312 54.840 -0.068 0.000 0.826 1076 L CB 1.348 43.368 42.059 -0.065 0.000 1.268 1076 L HN -0.003 nan 8.230 nan 0.000 0.407 1077 I N 5.706 126.176 120.570 -0.167 0.000 2.355 1077 I HA 0.387 4.557 4.170 -0.000 0.000 0.288 1077 I C -0.649 175.165 176.117 -0.505 0.000 0.999 1077 I CA -0.905 60.239 61.300 -0.260 0.000 1.163 1077 I CB 1.848 39.721 38.000 -0.212 0.000 1.316 1077 I HN 0.248 nan 8.210 nan 0.000 0.454 1078 V N 5.901 125.507 119.914 -0.512 0.000 2.432 1078 V HA 0.133 4.253 4.120 -0.000 0.000 0.275 1078 V C -0.039 175.552 176.094 -0.839 0.000 1.043 1078 V CA -0.503 61.338 62.300 -0.764 0.000 0.925 1078 V CB 0.534 31.734 31.823 -1.037 0.000 0.985 1078 V HN 0.608 nan 8.190 nan 0.000 0.466 1079 H N 5.260 124.110 119.070 -0.365 0.000 2.882 1079 H HA 0.246 4.801 4.556 -0.000 0.000 0.258 1079 H C 0.382 175.607 175.328 -0.171 0.000 1.579 1079 H CA -0.250 55.687 56.048 -0.184 0.000 1.340 1079 H CB -0.070 29.665 29.762 -0.044 0.000 1.645 1079 H HN 0.638 nan 8.280 nan 0.000 0.541 1080 F N 0.606 120.523 119.950 -0.054 0.000 2.333 1080 F HA -0.162 4.365 4.527 -0.000 0.000 0.300 1080 F C 1.744 177.590 175.800 0.077 0.000 1.083 1080 F CA 0.620 58.490 58.000 -0.216 0.000 1.395 1080 F CB 0.091 38.926 39.000 -0.275 0.000 1.056 1080 F HN 0.567 nan 8.300 nan 0.000 0.529 1081 N N 0.346 119.198 118.700 0.254 0.000 2.461 1081 N HA -0.033 4.707 4.740 -0.000 0.000 0.188 1081 N C -0.295 175.334 175.510 0.197 0.000 1.134 1081 N CA 0.609 53.777 53.050 0.196 0.000 0.878 1081 N CB 0.015 38.573 38.487 0.118 0.000 0.972 1081 N HN 0.410 nan 8.380 nan 0.000 0.456 1082 E N 0.851 121.212 120.200 0.268 0.000 2.437 1082 E HA 0.265 4.615 4.350 -0.000 0.000 0.238 1082 E C -0.980 175.862 176.600 0.404 0.000 0.969 1082 E CA -0.265 56.300 56.400 0.275 0.000 0.759 1082 E CB 1.849 31.655 29.700 0.176 0.000 1.283 1082 E HN -0.164 nan 8.360 nan 0.000 0.416 1083 V N 4.260 124.339 119.914 0.274 0.000 2.546 1083 V HA 0.153 4.273 4.120 -0.000 0.000 0.284 1083 V C 1.232 177.376 176.094 0.084 0.000 1.050 1083 V CA 0.171 62.535 62.300 0.107 0.000 0.981 1083 V CB 1.136 32.972 31.823 0.022 0.000 0.990 1083 V HN 0.730 nan 8.190 nan 0.000 0.474 1084 I N 2.673 123.209 120.570 -0.056 0.000 2.429 1084 I HA 0.324 4.493 4.170 -0.000 0.000 0.247 1084 I C 1.126 177.234 176.117 -0.016 0.000 1.099 1084 I CA 1.141 62.404 61.300 -0.061 0.000 1.422 1084 I CB 0.200 38.095 38.000 -0.175 0.000 1.112 1084 I HN 0.766 nan 8.210 nan 0.000 0.430 1085 G N 0.544 109.310 108.800 -0.055 0.000 2.547 1085 G HA2 0.535 4.495 3.960 -0.000 0.000 0.291 1085 G HA3 0.535 4.495 3.960 -0.000 0.000 0.291 1085 G C -1.459 173.421 174.900 -0.034 0.000 1.471 1085 G CA -0.785 44.303 45.100 -0.019 0.000 0.798 1085 G HN 0.180 nan 8.290 nan 0.000 0.504 1086 R N -0.724 119.748 120.500 -0.046 0.000 2.888 1086 R HA 0.937 5.277 4.340 -0.000 0.000 0.264 1086 R C -0.004 176.204 176.300 -0.153 0.000 1.045 1086 R CA -0.406 55.583 56.100 -0.185 0.000 0.962 1086 R CB 1.936 32.090 30.300 -0.245 0.000 1.210 1086 R HN 1.534 nan 8.270 nan 0.000 0.479 1087 G N -0.585 107.918 108.800 -0.494 0.000 2.570 1087 G HA2 0.193 4.153 3.960 -0.000 0.000 0.310 1087 G HA3 0.193 4.153 3.960 -0.000 0.000 0.310 1087 G C -0.654 174.017 174.900 -0.381 0.000 1.266 1087 G CA -0.611 44.349 45.100 -0.233 0.000 0.825 1087 G HN 0.647 nan 8.290 nan 0.000 0.483 1088 H N -0.289 118.708 119.070 -0.120 0.000 2.421 1088 H HA -0.033 4.523 4.556 -0.000 0.000 0.298 1088 H C 2.258 177.524 175.328 -0.104 0.000 1.087 1088 H CA 2.638 58.639 56.048 -0.077 0.000 1.330 1088 H CB -0.247 29.532 29.762 0.028 0.000 1.388 1088 H HN 0.405 nan 8.280 nan 0.000 0.526 1089 F N -1.049 118.960 119.950 0.098 0.000 2.365 1089 F HA 0.199 4.726 4.527 -0.000 0.000 0.300 1089 F C 1.364 177.168 175.800 0.006 0.000 1.090 1089 F CA 0.716 58.739 58.000 0.038 0.000 1.408 1089 F CB -0.177 38.832 39.000 0.014 0.000 1.060 1089 F HN 0.221 nan 8.300 nan 0.000 0.534 1090 G N -0.861 107.468 108.800 -0.784 0.000 2.217 1090 G HA2 0.134 4.094 3.960 -0.000 0.000 0.173 1090 G HA3 0.134 4.094 3.960 -0.000 0.000 0.173 1090 G C -1.476 172.889 174.900 -0.891 0.000 1.324 1090 G CA -0.589 44.179 45.100 -0.553 0.000 1.225 1090 G HN 0.620 nan 8.290 nan 0.000 0.494 1091 C N -0.425 118.667 119.300 -0.347 0.000 2.985 1091 C HA 0.703 5.163 4.460 -0.000 0.000 0.332 1091 C C -0.677 174.240 174.990 -0.121 0.000 1.164 1091 C CA -0.163 58.666 59.018 -0.316 0.000 1.347 1091 C CB 0.922 28.414 27.740 -0.413 0.000 1.764 1091 C HN 1.093 nan 8.230 nan 0.000 0.489 1092 V N 5.652 125.472 119.914 -0.156 0.000 2.398 1092 V HA 0.499 4.619 4.120 -0.000 0.000 0.286 1092 V C -0.869 175.021 176.094 -0.340 0.000 1.026 1092 V CA -0.259 61.969 62.300 -0.121 0.000 0.868 1092 V CB 1.069 32.878 31.823 -0.023 0.000 0.982 1092 V HN 0.822 nan 8.190 nan 0.000 0.443 1093 Y N 2.348 122.637 120.300 -0.019 0.000 2.509 1093 Y HA 0.509 5.059 4.550 -0.000 0.000 0.341 1093 Y C 0.868 176.722 175.900 -0.076 0.000 1.038 1093 Y CA -0.974 57.103 58.100 -0.038 0.000 1.089 1093 Y CB 1.108 39.511 38.460 -0.094 0.000 1.241 1093 Y HN 0.550 nan 8.280 nan 0.000 0.468 1094 H N 0.675 119.856 119.070 0.184 0.000 2.948 1094 H HA 0.302 4.858 4.556 -0.000 0.000 0.351 1094 H C 0.184 175.585 175.328 0.122 0.000 1.079 1094 H CA 0.870 57.013 56.048 0.159 0.000 1.407 1094 H CB 0.786 30.652 29.762 0.172 0.000 1.373 1094 H HN 0.906 nan 8.280 nan 0.000 0.605 1095 G N 0.461 109.402 108.800 0.235 0.000 2.690 1095 G HA2 0.396 4.356 3.960 -0.000 0.000 0.291 1095 G HA3 0.396 4.356 3.960 -0.000 0.000 0.291 1095 G C -1.174 173.764 174.900 0.063 0.000 1.403 1095 G CA -0.547 44.522 45.100 -0.053 0.000 0.864 1095 G HN 0.488 nan 8.290 nan 0.000 0.480 1096 T N 0.664 115.151 114.554 -0.112 0.000 2.840 1096 T HA 0.504 4.854 4.350 -0.000 0.000 0.287 1096 T C -1.012 173.671 174.700 -0.029 0.000 0.991 1096 T CA -0.284 61.828 62.100 0.021 0.000 0.964 1096 T CB 1.478 70.399 68.868 0.089 0.000 0.954 1096 T HN 0.484 nan 8.240 nan 0.000 0.438 1097 L N 4.541 125.768 121.223 0.006 0.000 2.317 1097 L HA 0.690 5.030 4.340 -0.000 0.000 0.281 1097 L C -1.214 175.658 176.870 0.004 0.000 1.024 1097 L CA -0.766 54.070 54.840 -0.006 0.000 0.810 1097 L CB 1.153 43.210 42.059 -0.003 0.000 1.240 1097 L HN 0.497 nan 8.230 nan 0.000 0.427 1098 L N 4.327 125.548 121.223 -0.003 0.000 2.341 1098 L HA 0.425 4.765 4.340 -0.000 0.000 0.278 1098 L C -0.073 176.797 176.870 0.000 0.000 1.005 1098 L CA -0.353 54.488 54.840 0.002 0.000 0.818 1098 L CB 1.439 43.498 42.059 0.001 0.000 1.259 1098 L HN 0.799 nan 8.230 nan 0.000 0.418 1105 I N 0.330 120.929 120.570 0.049 0.000 2.649 1105 I HA 0.282 4.452 4.170 -0.000 0.000 0.289 1105 I C -1.230 174.966 176.117 0.132 0.000 1.222 1105 I CA -0.637 60.708 61.300 0.076 0.000 1.046 1105 I CB 2.056 40.086 38.000 0.050 0.000 1.272 1105 I HN 0.835 nan 8.210 nan 0.000 0.425 1106 H N 7.124 126.215 119.070 0.035 0.000 2.929 1106 H HA 0.412 4.968 4.556 -0.000 0.000 0.317 1106 H C -0.492 174.883 175.328 0.078 0.000 1.031 1106 H CA -0.032 56.041 56.048 0.042 0.000 1.466 1106 H CB 0.619 30.396 29.762 0.024 0.000 1.482 1106 H HN 0.828 nan 8.280 nan 0.000 0.561 1107 C N 3.027 122.430 119.300 0.171 0.000 3.213 1107 C HA 0.878 5.338 4.460 -0.000 0.000 0.319 1107 C C -0.407 174.600 174.990 0.027 0.000 1.386 1107 C CA -0.762 58.285 59.018 0.050 0.000 1.494 1107 C CB 0.800 28.560 27.740 0.033 0.000 1.905 1107 C HN 0.945 nan 8.230 nan 0.000 0.456 1108 A N 0.699 123.526 122.820 0.012 0.000 2.318 1108 A HA 0.748 5.068 4.320 -0.000 0.000 0.324 1108 A C -0.817 176.758 177.584 -0.013 0.000 1.170 1108 A CA -0.422 51.611 52.037 -0.006 0.000 0.810 1108 A CB 0.768 19.761 19.000 -0.012 0.000 1.198 1108 A HN 1.357 nan 8.150 nan 0.000 0.484 1109 V N 3.609 123.529 119.914 0.010 0.000 2.326 1109 V HA 0.275 4.395 4.120 -0.000 0.000 0.281 1109 V C 0.268 176.411 176.094 0.082 0.000 1.015 1109 V CA -0.603 61.715 62.300 0.029 0.000 0.823 1109 V CB 1.228 33.057 31.823 0.009 0.000 1.009 1109 V HN 0.884 nan 8.190 nan 0.000 0.436 1110 K N 3.129 123.559 120.400 0.050 0.000 2.284 1110 K HA 0.318 4.638 4.320 -0.000 0.000 0.287 1110 K C 0.081 176.774 176.600 0.154 0.000 1.081 1110 K CA 0.046 56.386 56.287 0.089 0.000 0.910 1110 K CB 0.749 33.230 32.500 -0.032 0.000 1.088 1110 K HN 0.646 nan 8.250 nan 0.000 0.478 1111 S N 6.518 122.361 115.700 0.238 0.000 2.410 1111 S HA 0.265 4.735 4.470 -0.000 0.000 0.304 1111 S C -0.091 174.630 174.600 0.202 0.000 1.095 1111 S CA -0.997 57.337 58.200 0.224 0.000 1.089 1111 S CB 0.168 63.574 63.200 0.343 0.000 0.968 1111 S HN 0.468 nan 8.310 nan 0.000 0.480 1112 L N 4.322 125.622 121.223 0.128 0.000 2.439 1112 L HA 0.408 4.748 4.340 -0.000 0.000 0.261 1112 L C 0.878 177.767 176.870 0.032 0.000 1.153 1112 L CA -0.247 54.655 54.840 0.103 0.000 0.808 1112 L CB 0.040 42.100 42.059 0.002 0.000 1.126 1112 L HN 0.643 nan 8.230 nan 0.000 0.460 1113 N N 1.317 120.030 118.700 0.022 0.000 2.345 1113 N HA -0.035 4.705 4.740 -0.000 0.000 0.243 1113 N C 0.344 175.829 175.510 -0.041 0.000 1.246 1113 N CA 0.071 53.114 53.050 -0.012 0.000 0.863 1113 N CB 0.257 38.739 38.487 -0.008 0.000 1.096 1113 N HN 0.374 nan 8.380 nan 0.000 0.446 1114 R N 1.208 121.682 120.500 -0.042 0.000 2.585 1114 R HA 0.082 4.422 4.340 -0.000 0.000 0.275 1114 R C -0.190 176.066 176.300 -0.074 0.000 1.018 1114 R CA 0.248 56.312 56.100 -0.060 0.000 1.072 1114 R CB 0.140 30.415 30.300 -0.041 0.000 0.953 1114 R HN 0.493 nan 8.270 nan 0.000 0.419 1115 I N 3.729 124.235 120.570 -0.107 0.000 2.321 1115 I HA 0.135 4.305 4.170 -0.000 0.000 0.291 1115 I C 1.062 177.129 176.117 -0.083 0.000 0.998 1115 I CA -0.282 60.958 61.300 -0.101 0.000 1.227 1115 I CB 1.941 39.849 38.000 -0.153 0.000 1.368 1115 I HN 0.751 nan 8.210 nan 0.000 0.466 1116 T N -0.601 113.917 114.554 -0.061 0.000 3.085 1116 T HA 0.147 4.497 4.350 -0.000 0.000 0.264 1116 T C 0.136 174.804 174.700 -0.054 0.000 1.019 1116 T CA -0.343 61.721 62.100 -0.060 0.000 0.910 1116 T CB 0.042 68.884 68.868 -0.043 0.000 1.059 1116 T HN 0.514 nan 8.240 nan 0.000 0.542 1117 D N 0.979 121.352 120.400 -0.044 0.000 2.391 1117 D HA 0.269 4.909 4.640 -0.000 0.000 0.245 1117 D C 0.874 177.156 176.300 -0.029 0.000 1.069 1117 D CA -0.619 53.362 54.000 -0.032 0.000 0.831 1117 D CB 1.406 42.195 40.800 -0.019 0.000 1.204 1117 D HN -0.114 nan 8.370 nan 0.000 0.503 1118 I N 3.280 123.834 120.570 -0.027 0.000 2.286 1118 I HA -0.140 4.030 4.170 -0.000 0.000 0.248 1118 I C 2.305 178.421 176.117 -0.002 0.000 1.115 1118 I CA 1.090 62.379 61.300 -0.019 0.000 1.392 1118 I CB -1.004 36.985 38.000 -0.019 0.000 1.065 1118 I HN 0.568 nan 8.210 nan 0.000 0.418 1119 G N 0.482 109.282 108.800 -0.000 0.000 2.422 1119 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 1119 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 1119 G C 1.582 176.492 174.900 0.017 0.000 1.146 1119 G CA 0.432 45.537 45.100 0.008 0.000 0.769 1119 G HN 0.435 nan 8.290 nan 0.000 0.547 1120 E N -0.183 120.023 120.200 0.011 0.000 2.107 1120 E HA -0.033 4.317 4.350 -0.000 0.000 0.191 1120 E C 2.726 179.351 176.600 0.042 0.000 0.982 1120 E CA 0.606 57.018 56.400 0.019 0.000 0.809 1120 E CB -0.028 29.672 29.700 -0.001 0.000 0.756 1120 E HN 0.301 nan 8.360 nan 0.000 0.459 1121 V N 0.996 120.923 119.914 0.022 0.000 2.343 1121 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 1121 V C 2.240 178.409 176.094 0.124 0.000 1.051 1121 V CA 1.817 64.148 62.300 0.051 0.000 1.036 1121 V CB -0.379 31.447 31.823 0.005 0.000 0.654 1121 V HN 0.197 nan 8.190 nan 0.000 0.451 1122 S N -0.688 115.053 115.700 0.069 0.000 2.368 1122 S HA -0.301 4.169 4.470 -0.000 0.000 0.225 1122 S C 2.003 176.635 174.600 0.055 0.000 1.030 1122 S CA 1.920 60.153 58.200 0.055 0.000 0.999 1122 S CB -0.338 62.879 63.200 0.029 0.000 0.844 1122 S HN 0.720 nan 8.310 nan 0.000 0.459 1123 Q N 0.021 119.857 119.800 0.060 0.000 2.084 1123 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 1123 Q C 1.937 177.970 176.000 0.055 0.000 0.978 1123 Q CA 1.409 57.238 55.803 0.043 0.000 0.844 1123 Q CB -0.281 28.482 28.738 0.040 0.000 0.898 1123 Q HN 0.566 nan 8.270 nan 0.000 0.426 1124 F N 0.875 120.795 119.950 -0.050 0.000 2.095 1124 F HA -0.204 4.323 4.527 -0.000 0.000 0.298 1124 F C 1.628 177.386 175.800 -0.071 0.000 1.104 1124 F CA 1.468 59.430 58.000 -0.064 0.000 1.232 1124 F CB -0.157 38.810 39.000 -0.053 0.000 0.987 1124 F HN 0.066 nan 8.300 nan 0.000 0.475 1125 L N -0.546 120.650 121.223 -0.044 0.000 2.093 1125 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 1125 L C 2.373 179.133 176.870 -0.183 0.000 1.085 1125 L CA 1.710 56.455 54.840 -0.159 0.000 0.755 1125 L CB -1.262 40.797 42.059 0.001 0.000 0.904 1125 L HN 0.150 nan 8.230 nan 0.000 0.435 1126 T N -0.899 113.589 114.554 -0.109 0.000 2.746 1126 T HA -0.239 4.111 4.350 -0.000 0.000 0.267 1126 T C 1.800 176.410 174.700 -0.151 0.000 1.039 1126 T CA 1.550 63.594 62.100 -0.094 0.000 1.142 1126 T CB -0.093 68.747 68.868 -0.048 0.000 0.866 1126 T HN 0.346 nan 8.240 nan 0.000 0.444 1127 E N 0.322 120.404 120.200 -0.198 0.000 2.110 1127 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 1127 E C 2.383 178.778 176.600 -0.342 0.000 0.988 1127 E CA 1.119 57.365 56.400 -0.257 0.000 0.804 1127 E CB -0.444 29.107 29.700 -0.248 0.000 0.745 1127 E HN 0.501 nan 8.360 nan 0.000 0.458 1128 G N 1.029 109.576 108.800 -0.422 0.000 2.418 1128 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.217 1128 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.217 1128 G C 1.567 176.292 174.900 -0.291 0.000 1.158 1128 G CA 0.950 45.795 45.100 -0.424 0.000 0.771 1128 G HN 0.254 nan 8.290 nan 0.000 0.545 1129 I N 0.459 120.901 120.570 -0.213 0.000 2.226 1129 I HA -0.147 4.022 4.170 -0.000 0.000 0.245 1129 I C 2.666 178.744 176.117 -0.066 0.000 1.100 1129 I CA 0.858 62.103 61.300 -0.092 0.000 1.374 1129 I CB -0.186 37.807 38.000 -0.011 0.000 1.057 1129 I HN 0.162 nan 8.210 nan 0.000 0.413 1130 I N -0.042 120.447 120.570 -0.135 0.000 2.202 1130 I HA -0.329 3.841 4.170 -0.000 0.000 0.242 1130 I C 2.633 178.562 176.117 -0.313 0.000 1.091 1130 I CA 1.528 62.729 61.300 -0.167 0.000 1.368 1130 I CB -0.271 37.600 38.000 -0.215 0.000 1.058 1130 I HN 0.259 nan 8.210 nan 0.000 0.410 1131 M N 0.716 120.057 119.600 -0.431 0.000 2.296 1131 M HA -0.226 4.254 4.480 -0.000 0.000 0.265 1131 M C 2.181 178.390 176.300 -0.153 0.000 1.064 1131 M CA 1.614 56.629 55.300 -0.475 0.000 1.109 1131 M CB -0.016 32.323 32.600 -0.435 0.000 1.396 1131 M HN -0.032 nan 8.290 nan 0.000 0.430 1132 K N 0.782 121.117 120.400 -0.108 0.000 2.152 1132 K HA -0.164 4.156 4.320 -0.000 0.000 0.206 1132 K C 0.813 177.472 176.600 0.098 0.000 1.048 1132 K CA 1.770 58.043 56.287 -0.022 0.000 0.933 1132 K CB -0.159 32.310 32.500 -0.052 0.000 0.721 1132 K HN 0.395 nan 8.250 nan 0.000 0.447 1133 D N -0.655 119.848 120.400 0.173 0.000 2.340 1133 D HA -0.015 4.625 4.640 -0.000 0.000 0.220 1133 D C -0.174 176.400 176.300 0.456 0.000 1.039 1133 D CA 0.293 54.450 54.000 0.262 0.000 0.866 1133 D CB -0.005 40.937 40.800 0.237 0.000 0.913 1133 D HN 0.214 nan 8.370 nan 0.000 0.523 1134 F N 1.422 121.470 119.950 0.162 0.000 2.666 1134 F HA 0.055 4.582 4.527 -0.000 0.000 0.362 1134 F C 0.970 176.854 175.800 0.141 0.000 1.190 1134 F CA -0.437 57.753 58.000 0.317 0.000 1.328 1134 F CB 0.147 39.302 39.000 0.260 0.000 1.682 1134 F HN -0.252 nan 8.300 nan 0.000 0.623 1135 S N 2.188 117.981 115.700 0.155 0.000 2.422 1135 S HA 0.263 4.733 4.470 -0.000 0.000 0.298 1135 S C -0.879 173.458 174.600 -0.439 0.000 1.118 1135 S CA -0.291 57.856 58.200 -0.087 0.000 1.083 1135 S CB 0.235 63.434 63.200 -0.002 0.000 0.971 1135 S HN 0.563 nan 8.310 nan 0.000 0.478 1136 H N 4.774 123.502 119.070 -0.570 0.000 3.085 1136 H HA 0.313 4.869 4.556 -0.000 0.000 0.356 1136 H C -2.576 172.566 175.328 -0.311 0.000 1.178 1136 H CA -1.249 54.422 56.048 -0.629 0.000 1.214 1136 H CB 2.256 31.305 29.762 -1.190 0.000 1.881 1136 H HN 0.396 nan 8.280 nan 0.000 0.538 1137 P HA -0.042 nan 4.420 nan 0.000 0.225 1137 P C -0.073 177.190 177.300 -0.061 0.000 1.148 1137 P CA 1.081 64.022 63.100 -0.265 0.000 0.779 1137 P CB 0.278 31.789 31.700 -0.315 0.000 0.780 1138 N N -1.019 117.785 118.700 0.174 0.000 2.328 1138 N HA 0.202 4.942 4.740 -0.000 0.000 0.247 1138 N C -0.972 174.609 175.510 0.118 0.000 1.165 1138 N CA -0.178 52.968 53.050 0.160 0.000 0.873 1138 N CB 0.833 39.426 38.487 0.178 0.000 1.125 1138 N HN -0.112 nan 8.380 nan 0.000 0.513 1139 V N 1.340 121.315 119.914 0.102 0.000 2.638 1139 V HA 0.279 4.399 4.120 -0.000 0.000 0.306 1139 V C -0.489 175.696 176.094 0.151 0.000 1.052 1139 V CA -1.002 61.370 62.300 0.121 0.000 0.885 1139 V CB 2.281 34.134 31.823 0.050 0.000 0.999 1139 V HN 0.094 nan 8.190 nan 0.000 0.424 1140 L N 5.063 126.421 121.223 0.224 0.000 2.455 1140 L HA 0.367 4.707 4.340 -0.000 0.000 0.272 1140 L C 0.810 177.725 176.870 0.075 0.000 1.174 1140 L CA 0.902 55.799 54.840 0.095 0.000 0.869 1140 L CB 1.112 43.192 42.059 0.036 0.000 1.130 1140 L HN 0.925 nan 8.230 nan 0.000 0.474 1141 S N 4.960 120.663 115.700 0.005 0.000 2.632 1141 S HA 0.519 4.989 4.470 -0.000 0.000 0.271 1141 S C -0.412 174.147 174.600 -0.070 0.000 1.260 1141 S CA -0.956 57.240 58.200 -0.007 0.000 1.010 1141 S CB 1.376 64.566 63.200 -0.017 0.000 0.965 1141 S HN 0.632 nan 8.310 nan 0.000 0.534 1142 L N 3.240 124.415 121.223 -0.081 0.000 2.259 1142 L HA 0.418 4.758 4.340 -0.000 0.000 0.288 1142 L C 0.497 177.313 176.870 -0.090 0.000 1.051 1142 L CA -0.312 54.454 54.840 -0.124 0.000 0.824 1142 L CB -0.069 41.887 42.059 -0.172 0.000 1.206 1142 L HN 0.908 nan 8.230 nan 0.000 0.429 1143 L N 4.701 125.876 121.223 -0.080 0.000 2.156 1143 L HA 0.310 4.650 4.340 -0.000 0.000 0.208 1143 L C 1.163 177.991 176.870 -0.069 0.000 1.095 1143 L CA 0.751 55.555 54.840 -0.059 0.000 0.770 1143 L CB -0.639 41.393 42.059 -0.045 0.000 0.914 1143 L HN 0.862 nan 8.230 nan 0.000 0.439 1144 G N -0.181 108.566 108.800 -0.087 0.000 2.324 1144 G HA2 0.360 4.320 3.960 -0.000 0.000 0.293 1144 G HA3 0.360 4.320 3.960 -0.000 0.000 0.293 1144 G C -1.748 173.101 174.900 -0.086 0.000 1.297 1144 G CA -0.381 44.659 45.100 -0.099 0.000 0.853 1144 G HN 0.053 nan 8.290 nan 0.000 0.535 1145 I N -3.066 117.461 120.570 -0.071 0.000 3.074 1145 I HA 0.876 5.046 4.170 -0.000 0.000 0.310 1145 I C -0.562 175.575 176.117 0.034 0.000 1.153 1145 I CA -1.203 60.098 61.300 0.002 0.000 0.993 1145 I CB 2.132 40.123 38.000 -0.015 0.000 1.237 1145 I HN 0.661 nan 8.210 nan 0.000 0.443 1146 C N 3.324 122.675 119.300 0.086 0.000 2.712 1146 C HA 0.762 5.222 4.460 -0.000 0.000 0.308 1146 C C -0.699 174.345 174.990 0.090 0.000 1.201 1146 C CA -0.535 58.522 59.018 0.065 0.000 1.554 1146 C CB 1.428 29.189 27.740 0.035 0.000 2.117 1146 C HN 0.709 nan 8.230 nan 0.000 0.480 1147 L N 3.372 124.632 121.223 0.061 0.000 2.427 1147 L HA 0.522 4.862 4.340 -0.000 0.000 0.264 1147 L C 0.016 176.890 176.870 0.006 0.000 0.989 1147 L CA 0.038 54.894 54.840 0.026 0.000 0.865 1147 L CB 0.114 42.205 42.059 0.053 0.000 1.209 1147 L HN 0.701 nan 8.230 nan 0.000 0.430 1148 R N 1.656 122.153 120.500 -0.004 0.000 2.541 1148 R HA 0.453 4.793 4.340 -0.000 0.000 0.263 1148 R C 0.176 176.471 176.300 -0.009 0.000 1.112 1148 R CA -0.795 55.305 56.100 -0.000 0.000 1.170 1148 R CB 1.004 31.308 30.300 0.008 0.000 1.167 1148 R HN 0.634 nan 8.270 nan 0.000 0.582 1149 S N 1.426 117.125 115.700 -0.002 0.000 2.593 1149 S HA -0.137 4.333 4.470 -0.000 0.000 0.303 1149 S C 0.198 174.794 174.600 -0.006 0.000 1.267 1149 S CA 0.633 58.834 58.200 0.002 0.000 1.047 1149 S CB 0.061 63.269 63.200 0.012 0.000 0.777 1149 S HN 0.647 nan 8.310 nan 0.000 0.498 1150 E N 1.809 122.004 120.200 -0.008 0.000 2.971 1150 E HA -0.221 4.129 4.350 -0.000 0.000 0.278 1150 E C 0.631 177.200 176.600 -0.052 0.000 1.009 1150 E CA 1.193 57.580 56.400 -0.021 0.000 0.862 1150 E CB -2.083 27.627 29.700 0.016 0.000 1.436 1150 E HN 1.602 nan 8.360 nan 0.000 0.434 1151 G N -0.021 108.740 108.800 -0.065 0.000 2.212 1151 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.255 1151 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.255 1151 G C 0.037 174.874 174.900 -0.106 0.000 1.062 1151 G CA 0.402 45.447 45.100 -0.092 0.000 0.815 1151 G HN 0.302 nan 8.290 nan 0.000 0.497 1152 S N 1.791 117.444 115.700 -0.078 0.000 2.415 1152 S HA 0.544 5.014 4.470 -0.000 0.000 0.313 1152 S C -2.082 172.469 174.600 -0.082 0.000 1.067 1152 S CA -0.876 57.285 58.200 -0.066 0.000 1.099 1152 S CB 1.868 65.054 63.200 -0.024 0.000 0.991 1152 S HN 0.380 nan 8.310 nan 0.000 0.491 1153 P HA 0.503 nan 4.420 nan 0.000 0.286 1153 P C -1.020 176.259 177.300 -0.036 0.000 1.261 1153 P CA -0.635 62.345 63.100 -0.200 0.000 0.821 1153 P CB 0.753 32.089 31.700 -0.607 0.000 1.013 1154 L N 1.765 123.019 121.223 0.051 0.000 2.386 1154 L HA 0.588 4.928 4.340 -0.000 0.000 0.271 1154 L C -0.689 176.264 176.870 0.138 0.000 0.993 1154 L CA -1.139 53.754 54.840 0.088 0.000 0.819 1154 L CB 2.355 44.449 42.059 0.058 0.000 1.294 1154 L HN 0.024 nan 8.230 nan 0.000 0.414 1155 V N 3.539 123.513 119.914 0.101 0.000 2.378 1155 V HA 0.362 4.482 4.120 -0.000 0.000 0.288 1155 V C -0.123 175.965 176.094 -0.010 0.000 1.016 1155 V CA -0.640 61.691 62.300 0.050 0.000 0.840 1155 V CB 2.121 33.962 31.823 0.030 0.000 0.994 1155 V HN 0.426 nan 8.190 nan 0.000 0.431 1156 V N 7.153 127.047 119.914 -0.033 0.000 2.383 1156 V HA 0.521 4.641 4.120 -0.000 0.000 0.275 1156 V C -0.066 175.989 176.094 -0.065 0.000 1.036 1156 V CA -0.273 62.002 62.300 -0.041 0.000 0.889 1156 V CB 1.192 32.993 31.823 -0.037 0.000 0.985 1156 V HN 0.628 nan 8.190 nan 0.000 0.459 1157 L N 6.152 127.335 121.223 -0.066 0.000 2.323 1157 L HA 0.621 4.961 4.340 -0.000 0.000 0.265 1157 L C -2.551 174.285 176.870 -0.058 0.000 1.012 1157 L CA -2.281 52.510 54.840 -0.083 0.000 0.820 1157 L CB 2.673 44.663 42.059 -0.116 0.000 1.334 1157 L HN 0.367 nan 8.230 nan 0.000 0.427 1158 P HA -0.023 nan 4.420 nan 0.000 0.269 1158 P C -1.289 175.975 177.300 -0.061 0.000 1.209 1158 P CA -0.008 63.063 63.100 -0.049 0.000 0.776 1158 P CB 0.216 31.878 31.700 -0.062 0.000 0.876 1159 Y N 3.322 123.500 120.300 -0.203 0.000 2.377 1159 Y HA 0.252 4.802 4.550 -0.000 0.000 0.330 1159 Y C 0.016 175.783 175.900 -0.223 0.000 1.108 1159 Y CA -0.005 57.917 58.100 -0.297 0.000 1.308 1159 Y CB 0.426 38.510 38.460 -0.626 0.000 1.216 1159 Y HN 0.215 nan 8.280 nan 0.000 0.518 1160 M N 7.724 126.756 119.600 -0.948 0.000 2.060 1160 M HA 0.158 4.638 4.480 -0.000 0.000 0.342 1160 M C 1.104 176.848 176.300 -0.927 0.000 1.031 1160 M CA -0.303 54.582 55.300 -0.692 0.000 0.981 1160 M CB 1.206 33.561 32.600 -0.408 0.000 1.376 1160 M HN 0.828 nan 8.290 nan 0.000 0.397 1161 K N 2.032 121.985 120.400 -0.746 0.000 2.089 1161 K HA -0.201 4.119 4.320 -0.000 0.000 0.210 1161 K C 0.623 176.934 176.600 -0.482 0.000 1.048 1161 K CA 2.033 57.986 56.287 -0.558 0.000 0.926 1161 K CB 0.135 32.326 32.500 -0.515 0.000 0.714 1161 K HN 0.670 nan 8.250 nan 0.000 0.448 1162 H N -0.834 118.126 119.070 -0.184 0.000 2.517 1162 H HA 0.211 4.767 4.556 -0.000 0.000 0.282 1162 H C 0.823 176.172 175.328 0.035 0.000 1.023 1162 H CA -0.040 56.003 56.048 -0.007 0.000 1.169 1162 H CB 0.683 30.382 29.762 -0.106 0.000 1.454 1162 H HN 0.564 nan 8.280 nan 0.000 0.556 1163 G N 1.456 110.246 108.800 -0.016 0.000 2.564 1163 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.273 1163 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.273 1163 G C -0.296 174.632 174.900 0.046 0.000 1.242 1163 G CA -0.043 45.071 45.100 0.022 0.000 0.951 1163 G HN 0.544 nan 8.290 nan 0.000 0.564 1164 D N 0.326 120.806 120.400 0.134 0.000 2.283 1164 D HA 0.343 4.983 4.640 -0.000 0.000 0.248 1164 D C 1.607 177.986 176.300 0.131 0.000 1.072 1164 D CA -0.381 53.699 54.000 0.134 0.000 0.929 1164 D CB 1.773 42.730 40.800 0.261 0.000 1.182 1164 D HN 0.457 nan 8.370 nan 0.000 0.433 1165 L N 2.082 123.339 121.223 0.057 0.000 2.083 1165 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 1165 L C 2.623 179.581 176.870 0.147 0.000 1.083 1165 L CA 1.570 56.425 54.840 0.025 0.000 0.752 1165 L CB -0.790 41.229 42.059 -0.065 0.000 0.899 1165 L HN 0.572 nan 8.230 nan 0.000 0.433 1166 R N -0.533 120.051 120.500 0.139 0.000 2.073 1166 R HA -0.173 4.167 4.340 -0.000 0.000 0.234 1166 R C 2.109 178.496 176.300 0.145 0.000 1.134 1166 R CA 2.069 58.254 56.100 0.143 0.000 0.952 1166 R CB -0.326 30.044 30.300 0.116 0.000 0.850 1166 R HN 0.529 nan 8.270 nan 0.000 0.433 1167 N N -0.647 118.140 118.700 0.145 0.000 2.223 1167 N HA -0.173 4.567 4.740 -0.000 0.000 0.185 1167 N C 1.525 177.128 175.510 0.155 0.000 1.016 1167 N CA 1.085 54.211 53.050 0.126 0.000 0.863 1167 N CB -0.129 38.439 38.487 0.134 0.000 0.983 1167 N HN 0.140 nan 8.380 nan 0.000 0.429 1168 F N 2.294 122.307 119.950 0.106 0.000 2.102 1168 F HA -0.084 4.443 4.527 -0.000 0.000 0.298 1168 F C 2.023 177.950 175.800 0.212 0.000 1.105 1168 F CA 1.160 59.279 58.000 0.199 0.000 1.239 1168 F CB -0.232 38.864 39.000 0.160 0.000 0.991 1168 F HN -0.012 nan 8.300 nan 0.000 0.474 1169 I N -1.403 119.341 120.570 0.289 0.000 2.546 1169 I HA -0.113 4.057 4.170 -0.000 0.000 0.255 1169 I C 2.175 178.316 176.117 0.040 0.000 1.163 1169 I CA 1.077 62.485 61.300 0.180 0.000 1.457 1169 I CB -0.711 37.438 38.000 0.248 0.000 1.092 1169 I HN 0.079 nan 8.210 nan 0.000 0.434 1170 R N 1.427 121.944 120.500 0.028 0.000 2.115 1170 R HA -0.011 4.329 4.340 -0.000 0.000 0.230 1170 R C 0.941 177.193 176.300 -0.081 0.000 1.111 1170 R CA 0.399 56.498 56.100 -0.003 0.000 0.976 1170 R CB -0.472 29.842 30.300 0.024 0.000 0.870 1170 R HN 0.392 nan 8.270 nan 0.000 0.445 1171 N N 2.039 120.615 118.700 -0.207 0.000 2.434 1171 N HA -0.086 4.654 4.740 -0.000 0.000 0.268 1171 N C 0.007 175.344 175.510 -0.289 0.000 1.256 1171 N CA 0.378 53.215 53.050 -0.355 0.000 0.914 1171 N CB 0.974 38.974 38.487 -0.813 0.000 1.088 1171 N HN 0.115 nan 8.380 nan 0.000 0.478 1172 E N 1.020 121.131 120.200 -0.149 0.000 2.219 1172 E HA -0.184 4.166 4.350 -0.000 0.000 0.198 1172 E C 1.512 178.084 176.600 -0.047 0.000 0.998 1172 E CA 1.740 58.101 56.400 -0.065 0.000 0.818 1172 E CB -0.068 29.612 29.700 -0.034 0.000 0.741 1172 E HN 0.785 nan 8.360 nan 0.000 0.477 1173 T N -2.288 112.213 114.554 -0.088 0.000 3.113 1173 T HA -0.030 4.320 4.350 -0.000 0.000 0.256 1173 T C 0.421 175.211 174.700 0.150 0.000 1.131 1173 T CA 0.024 62.135 62.100 0.018 0.000 1.074 1173 T CB -0.330 68.561 68.868 0.038 0.000 0.944 1173 T HN 0.195 nan 8.240 nan 0.000 0.516 1174 H N 1.392 120.393 119.070 -0.114 0.000 2.487 1174 H HA 0.414 4.970 4.556 -0.000 0.000 0.333 1174 H C -0.098 175.179 175.328 -0.085 0.000 1.114 1174 H CA -1.039 54.908 56.048 -0.169 0.000 1.310 1174 H CB 0.691 30.193 29.762 -0.433 0.000 1.462 1174 H HN 0.161 nan 8.280 nan 0.000 0.516 1175 N N 3.923 122.666 118.700 0.072 0.000 2.757 1175 N HA 0.134 4.874 4.740 -0.000 0.000 0.296 1175 N C -2.664 172.874 175.510 0.047 0.000 1.874 1175 N CA -1.079 52.029 53.050 0.097 0.000 0.885 1175 N CB 1.280 39.862 38.487 0.158 0.000 1.242 1175 N HN 0.519 nan 8.380 nan 0.000 0.488 1176 P HA 0.084 nan 4.420 nan 0.000 0.272 1176 P C 0.288 177.440 177.300 -0.248 0.000 1.223 1176 P CA 0.100 63.137 63.100 -0.104 0.000 0.784 1176 P CB 0.917 32.608 31.700 -0.015 0.000 0.923 1177 T N -2.188 112.160 114.554 -0.343 0.000 2.936 1177 T HA 0.245 4.595 4.350 -0.000 0.000 0.282 1177 T C 1.434 175.932 174.700 -0.338 0.000 1.003 1177 T CA -0.789 61.047 62.100 -0.440 0.000 1.005 1177 T CB 0.385 68.952 68.868 -0.502 0.000 1.097 1177 T HN 0.042 nan 8.240 nan 0.000 0.532 1178 V N 1.057 120.778 119.914 -0.322 0.000 2.282 1178 V HA -0.180 3.940 4.120 -0.000 0.000 0.249 1178 V C 2.859 178.706 176.094 -0.411 0.000 1.057 1178 V CA 2.336 64.413 62.300 -0.371 0.000 1.032 1178 V CB -0.924 30.622 31.823 -0.461 0.000 0.645 1178 V HN 1.010 nan 8.190 nan 0.000 0.447 1179 K N -0.162 120.014 120.400 -0.373 0.000 2.032 1179 K HA -0.252 4.068 4.320 -0.000 0.000 0.209 1179 K C 1.885 178.420 176.600 -0.107 0.000 1.048 1179 K CA 2.093 58.237 56.287 -0.238 0.000 0.927 1179 K CB -0.279 32.082 32.500 -0.231 0.000 0.712 1179 K HN 0.464 nan 8.250 nan 0.000 0.441 1180 D N 0.749 120.993 120.400 -0.261 0.000 2.104 1180 D HA -0.180 4.460 4.640 -0.000 0.000 0.194 1180 D C 1.986 177.870 176.300 -0.694 0.000 0.994 1180 D CA 1.228 54.944 54.000 -0.474 0.000 0.830 1180 D CB -0.187 40.313 40.800 -0.500 0.000 0.959 1180 D HN 0.247 nan 8.370 nan 0.000 0.452 1181 L N 0.340 121.326 121.223 -0.395 0.000 2.072 1181 L HA -0.062 4.278 4.340 -0.000 0.000 0.205 1181 L C 2.544 179.366 176.870 -0.080 0.000 1.079 1181 L CA 0.554 55.282 54.840 -0.187 0.000 0.752 1181 L CB -0.262 41.755 42.059 -0.069 0.000 0.906 1181 L HN 0.011 nan 8.230 nan 0.000 0.436 1182 I N -0.021 120.501 120.570 -0.081 0.000 2.286 1182 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 1182 I C 2.609 178.741 176.117 0.025 0.000 1.115 1182 I CA 1.443 62.760 61.300 0.028 0.000 1.392 1182 I CB -0.928 37.116 38.000 0.074 0.000 1.065 1182 I HN 0.298 nan 8.210 nan 0.000 0.418 1183 G N 0.643 109.414 108.800 -0.049 0.000 2.422 1183 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.218 1183 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.218 1183 G C 1.639 176.473 174.900 -0.110 0.000 1.146 1183 G CA 0.409 45.301 45.100 -0.346 0.000 0.769 1183 G HN 0.312 nan 8.290 nan 0.000 0.547 1184 F N 1.211 121.146 119.950 -0.025 0.000 2.134 1184 F HA -0.046 4.481 4.527 -0.000 0.000 0.299 1184 F C 3.001 178.826 175.800 0.042 0.000 1.097 1184 F CA 0.368 58.371 58.000 0.005 0.000 1.264 1184 F CB -0.212 38.807 39.000 0.032 0.000 1.001 1184 F HN 0.247 nan 8.300 nan 0.000 0.479 1185 G N 0.240 109.186 108.800 0.243 0.000 2.422 1185 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.218 1185 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.218 1185 G C 1.491 176.571 174.900 0.300 0.000 1.146 1185 G CA 0.679 45.923 45.100 0.240 0.000 0.769 1185 G HN 0.226 nan 8.290 nan 0.000 0.547 1186 L N 0.499 121.805 121.223 0.138 0.000 2.046 1186 L HA -0.041 4.299 4.340 -0.000 0.000 0.208 1186 L C 2.861 179.765 176.870 0.056 0.000 1.077 1186 L CA 1.917 56.793 54.840 0.059 0.000 0.747 1186 L CB -0.766 41.205 42.059 -0.146 0.000 0.896 1186 L HN 0.319 nan 8.230 nan 0.000 0.432 1187 Q N -1.231 118.603 119.800 0.057 0.000 2.096 1187 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 1187 Q C 2.175 178.229 176.000 0.091 0.000 0.982 1187 Q CA 1.950 57.796 55.803 0.072 0.000 0.850 1187 Q CB -0.299 28.496 28.738 0.096 0.000 0.901 1187 Q HN 0.468 nan 8.270 nan 0.000 0.422 1188 V N 0.926 120.932 119.914 0.154 0.000 2.343 1188 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 1188 V C 2.277 178.392 176.094 0.035 0.000 1.051 1188 V CA 1.768 64.163 62.300 0.158 0.000 1.036 1188 V CB -0.952 31.062 31.823 0.319 0.000 0.654 1188 V HN 0.388 nan 8.190 nan 0.000 0.451 1189 A N -0.268 122.580 122.820 0.046 0.000 1.933 1189 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 1189 A C 2.287 179.763 177.584 -0.179 0.000 1.175 1189 A CA 1.948 53.845 52.037 -0.233 0.000 0.628 1189 A CB -0.400 18.508 19.000 -0.154 0.000 0.814 1189 A HN 0.565 nan 8.150 nan 0.000 0.444 1190 K N -0.860 119.499 120.400 -0.069 0.000 2.057 1190 K HA -0.059 4.261 4.320 -0.000 0.000 0.206 1190 K C 2.145 178.607 176.600 -0.230 0.000 1.050 1190 K CA 1.016 57.276 56.287 -0.044 0.000 0.935 1190 K CB -0.396 32.167 32.500 0.104 0.000 0.715 1190 K HN 0.455 nan 8.250 nan 0.000 0.439 1191 G N 1.087 109.762 108.800 -0.208 0.000 2.402 1191 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.216 1191 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.216 1191 G C 1.460 176.152 174.900 -0.346 0.000 1.162 1191 G CA 0.524 45.435 45.100 -0.315 0.000 0.777 1191 G HN 0.053 nan 8.290 nan 0.000 0.539 1192 M N 0.506 119.826 119.600 -0.467 0.000 2.254 1192 M HA 0.080 4.560 4.480 -0.000 0.000 0.265 1192 M C 2.267 178.146 176.300 -0.702 0.000 1.066 1192 M CA 0.944 55.764 55.300 -0.801 0.000 1.123 1192 M CB -0.818 30.779 32.600 -1.671 0.000 1.388 1192 M HN 0.304 nan 8.290 nan 0.000 0.425 1193 K N -0.107 120.028 120.400 -0.442 0.000 2.057 1193 K HA -0.209 4.111 4.320 -0.000 0.000 0.207 1193 K C 2.031 178.522 176.600 -0.180 0.000 1.049 1193 K CA 1.389 57.578 56.287 -0.162 0.000 0.931 1193 K CB -0.282 32.184 32.500 -0.057 0.000 0.714 1193 K HN 0.172 nan 8.250 nan 0.000 0.440 1194 F N 1.717 121.422 119.950 -0.408 0.000 2.102 1194 F HA -0.162 4.365 4.527 -0.000 0.000 0.298 1194 F C 1.739 177.313 175.800 -0.376 0.000 1.105 1194 F CA 1.389 59.142 58.000 -0.413 0.000 1.239 1194 F CB -0.237 38.356 39.000 -0.678 0.000 0.991 1194 F HN -0.041 nan 8.300 nan 0.000 0.474 1195 L N 0.086 121.096 121.223 -0.355 0.000 2.046 1195 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 1195 L C 2.813 179.518 176.870 -0.276 0.000 1.077 1195 L CA 1.218 55.836 54.840 -0.369 0.000 0.747 1195 L CB -1.274 40.725 42.059 -0.100 0.000 0.896 1195 L HN 0.283 nan 8.230 nan 0.000 0.432 1196 A N 0.075 122.775 122.820 -0.201 0.000 1.972 1196 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 1196 A C 2.506 180.002 177.584 -0.146 0.000 1.169 1196 A CA 1.851 53.838 52.037 -0.084 0.000 0.635 1196 A CB -0.638 18.394 19.000 0.055 0.000 0.810 1196 A HN 0.534 nan 8.150 nan 0.000 0.446 1197 S N -0.625 114.917 115.700 -0.263 0.000 2.447 1197 S HA -0.072 4.398 4.470 -0.000 0.000 0.233 1197 S C 1.377 175.781 174.600 -0.327 0.000 1.006 1197 S CA 1.163 59.200 58.200 -0.272 0.000 0.957 1197 S CB -0.149 62.870 63.200 -0.302 0.000 0.773 1197 S HN 0.415 nan 8.310 nan 0.000 0.507 1198 K N 0.940 121.066 120.400 -0.458 0.000 2.417 1198 K HA 0.194 4.514 4.320 -0.000 0.000 0.196 1198 K C -0.005 176.533 176.600 -0.104 0.000 1.023 1198 K CA -0.019 56.040 56.287 -0.380 0.000 1.122 1198 K CB 0.029 32.066 32.500 -0.771 0.000 0.850 1198 K HN 0.242 nan 8.250 nan 0.000 0.521 1199 K N 0.014 120.374 120.400 -0.066 0.000 3.088 1199 K HA -0.218 4.102 4.320 -0.000 0.000 0.273 1199 K C -0.245 176.417 176.600 0.102 0.000 1.111 1199 K CA 0.530 56.828 56.287 0.018 0.000 0.803 1199 K CB -2.599 29.916 32.500 0.026 0.000 1.226 1199 K HN 0.209 nan 8.250 nan 0.000 0.485 1200 F N 0.760 120.686 119.950 -0.040 0.000 2.405 1200 F HA 0.369 4.896 4.527 -0.000 0.000 0.355 1200 F C 0.216 176.046 175.800 0.051 0.000 1.121 1200 F CA -1.048 56.978 58.000 0.044 0.000 1.112 1200 F CB 1.056 40.119 39.000 0.104 0.000 1.126 1200 F HN -0.145 nan 8.300 nan 0.000 0.481 1201 V N 7.399 126.933 119.914 -0.633 0.000 2.364 1201 V HA 0.081 4.201 4.120 -0.000 0.000 0.272 1201 V C 1.091 176.758 176.094 -0.711 0.000 1.036 1201 V CA -0.368 61.680 62.300 -0.420 0.000 0.880 1201 V CB 0.830 32.555 31.823 -0.164 0.000 0.991 1201 V HN 0.853 nan 8.190 nan 0.000 0.460 1202 H N 5.427 124.268 119.070 -0.381 0.000 2.333 1202 H HA -0.017 4.539 4.556 -0.000 0.000 0.302 1202 H C 1.789 177.113 175.328 -0.007 0.000 1.075 1202 H CA 2.081 58.068 56.048 -0.102 0.000 1.348 1202 H CB 0.378 30.196 29.762 0.094 0.000 1.393 1202 H HN 0.746 nan 8.280 nan 0.000 0.509 1203 R N -1.273 119.315 120.500 0.147 0.000 3.872 1203 R HA -0.167 4.173 4.340 -0.000 0.000 0.377 1203 R C 0.159 176.531 176.300 0.120 0.000 0.628 1203 R CA 1.774 57.873 56.100 -0.002 0.000 1.612 1203 R CB -1.415 28.555 30.300 -0.550 0.000 2.008 1203 R HN 0.341 nan 8.270 nan 0.000 0.414 1204 D N 0.864 121.483 120.400 0.365 0.000 2.463 1204 D HA 0.129 4.769 4.640 -0.000 0.000 0.224 1204 D C -0.152 176.135 176.300 -0.022 0.000 1.174 1204 D CA -0.221 53.902 54.000 0.204 0.000 0.829 1204 D CB 0.139 41.128 40.800 0.315 0.000 0.993 1204 D HN -0.017 nan 8.370 nan 0.000 0.497 1205 L N 1.613 122.735 121.223 -0.168 0.000 2.462 1205 L HA 0.362 4.702 4.340 -0.000 0.000 0.272 1205 L C -0.232 176.581 176.870 -0.095 0.000 1.166 1205 L CA 0.245 54.936 54.840 -0.248 0.000 0.880 1205 L CB 0.243 42.238 42.059 -0.108 0.000 1.142 1205 L HN 0.060 nan 8.230 nan 0.000 0.473 1206 A N 3.834 126.579 122.820 -0.125 0.000 2.597 1206 A HA 0.664 4.984 4.320 -0.000 0.000 0.292 1206 A C 0.406 177.989 177.584 -0.002 0.000 1.057 1206 A CA -0.159 51.791 52.037 -0.146 0.000 0.674 1206 A CB 0.233 18.742 19.000 -0.818 0.000 1.278 1206 A HN 1.034 nan 8.150 nan 0.000 0.416 1207 A N 0.770 123.665 122.820 0.125 0.000 1.978 1207 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 1207 A C 1.938 179.571 177.584 0.081 0.000 1.170 1207 A CA 2.059 54.169 52.037 0.121 0.000 0.636 1207 A CB -0.600 18.508 19.000 0.179 0.000 0.810 1207 A HN 1.168 nan 8.150 nan 0.000 0.448 1208 R N -0.900 119.625 120.500 0.041 0.000 2.189 1208 R HA -0.019 4.321 4.340 -0.000 0.000 0.223 1208 R C 0.433 176.834 176.300 0.169 0.000 1.092 1208 R CA 1.543 57.693 56.100 0.085 0.000 0.989 1208 R CB -0.394 29.898 30.300 -0.015 0.000 0.876 1208 R HN 0.327 nan 8.270 nan 0.000 0.457 1209 N N -0.044 118.700 118.700 0.073 0.000 2.230 1209 N HA 0.112 4.852 4.740 -0.000 0.000 0.202 1209 N C -0.822 174.745 175.510 0.096 0.000 1.119 1209 N CA -0.034 53.071 53.050 0.093 0.000 0.851 1209 N CB 0.546 39.073 38.487 0.067 0.000 0.990 1209 N HN 0.161 nan 8.380 nan 0.000 0.497 1210 C N 0.885 120.227 119.300 0.070 0.000 2.435 1210 C HA 0.607 5.067 4.460 -0.000 0.000 0.333 1210 C C 0.405 175.402 174.990 0.012 0.000 1.202 1210 C CA -0.838 58.209 59.018 0.048 0.000 1.830 1210 C CB 1.069 28.829 27.740 0.033 0.000 2.326 1210 C HN 0.184 nan 8.230 nan 0.000 0.507 1211 M N 2.103 121.688 119.600 -0.025 0.000 2.716 1211 M HA 0.664 5.144 4.480 -0.000 0.000 0.307 1211 M C -1.282 174.932 176.300 -0.143 0.000 1.223 1211 M CA -0.786 54.469 55.300 -0.075 0.000 0.871 1211 M CB 1.781 34.330 32.600 -0.085 0.000 1.739 1211 M HN 0.335 nan 8.290 nan 0.000 0.475 1212 L N 2.051 123.160 121.223 -0.190 0.000 2.409 1212 L HA 0.442 4.782 4.340 -0.000 0.000 0.272 1212 L C -0.901 175.839 176.870 -0.217 0.000 0.980 1212 L CA -0.264 54.421 54.840 -0.259 0.000 0.826 1212 L CB 1.385 43.165 42.059 -0.465 0.000 1.268 1212 L HN 0.725 nan 8.230 nan 0.000 0.407 1213 D N 2.785 123.063 120.400 -0.203 0.000 2.529 1213 D HA 0.143 4.783 4.640 -0.000 0.000 0.273 1213 D C 0.803 176.954 176.300 -0.248 0.000 1.197 1213 D CA -0.165 53.703 54.000 -0.220 0.000 1.070 1213 D CB 0.418 41.116 40.800 -0.170 0.000 1.134 1213 D HN 0.581 nan 8.370 nan 0.000 0.590 1214 E N 0.299 120.347 120.200 -0.253 0.000 2.204 1214 E HA -0.256 4.094 4.350 -0.000 0.000 0.195 1214 E C 0.924 177.296 176.600 -0.381 0.000 0.990 1214 E CA 1.140 57.368 56.400 -0.287 0.000 0.821 1214 E CB -0.324 29.285 29.700 -0.151 0.000 0.750 1214 E HN 0.511 nan 8.360 nan 0.000 0.477 1215 K N -0.263 119.992 120.400 -0.242 0.000 2.458 1215 K HA 0.088 4.408 4.320 -0.000 0.000 0.194 1215 K C -0.502 176.119 176.600 0.034 0.000 1.024 1215 K CA -0.012 56.222 56.287 -0.088 0.000 1.108 1215 K CB -0.237 32.263 32.500 -0.000 0.000 0.846 1215 K HN 0.053 nan 8.250 nan 0.000 0.518 1216 F N -0.126 119.838 119.950 0.023 0.000 3.074 1216 F HA -0.260 4.267 4.527 -0.000 0.000 0.289 1216 F C -0.035 175.766 175.800 0.001 0.000 0.863 1216 F CA 0.324 58.306 58.000 -0.031 0.000 1.121 1216 F CB -2.617 36.406 39.000 0.039 0.000 1.169 1216 F HN -0.114 nan 8.300 nan 0.000 0.570 1217 T N 1.129 115.708 114.554 0.042 0.000 2.780 1217 T HA 0.536 4.886 4.350 -0.000 0.000 0.294 1217 T C 0.443 175.122 174.700 -0.035 0.000 0.949 1217 T CA -0.531 61.584 62.100 0.026 0.000 1.074 1217 T CB 1.595 70.460 68.868 -0.006 0.000 0.910 1217 T HN 0.038 nan 8.240 nan 0.000 0.501 1218 V N 5.421 125.328 119.914 -0.012 0.000 2.498 1218 V HA 0.315 4.435 4.120 -0.000 0.000 0.279 1218 V C 0.215 176.302 176.094 -0.012 0.000 1.048 1218 V CA -0.505 61.762 62.300 -0.055 0.000 0.967 1218 V CB 0.791 32.599 31.823 -0.024 0.000 0.988 1218 V HN 0.654 nan 8.190 nan 0.000 0.473 1219 K N 3.967 124.355 120.400 -0.019 0.000 2.394 1219 K HA 0.460 4.780 4.320 -0.000 0.000 0.260 1219 K C -0.798 175.843 176.600 0.068 0.000 0.967 1219 K CA -0.723 55.580 56.287 0.027 0.000 0.855 1219 K CB 1.924 34.428 32.500 0.006 0.000 1.101 1219 K HN 0.396 nan 8.250 nan 0.000 0.433 1220 V N 2.654 122.631 119.914 0.106 0.000 2.540 1220 V HA 0.199 4.319 4.120 -0.000 0.000 0.297 1220 V C 0.746 177.038 176.094 0.329 0.000 1.024 1220 V CA 0.261 62.660 62.300 0.165 0.000 1.105 1220 V CB 0.519 32.407 31.823 0.109 0.000 0.938 1220 V HN 0.931 nan 8.190 nan 0.000 0.482 1221 A N 3.543 126.572 122.820 0.348 0.000 3.042 1221 A HA 0.704 5.024 4.320 -0.000 0.000 0.229 1221 A C 0.436 178.284 177.584 0.440 0.000 1.185 1221 A CA 0.070 52.308 52.037 0.335 0.000 0.844 1221 A CB 0.315 19.373 19.000 0.096 0.000 1.403 1221 A HN 0.809 nan 8.150 nan 0.000 0.555 1222 D N -2.083 118.405 120.400 0.147 0.000 2.723 1222 D HA -0.155 4.485 4.640 -0.000 0.000 0.236 1222 D C -0.422 175.964 176.300 0.144 0.000 1.138 1222 D CA 1.798 55.868 54.000 0.116 0.000 0.676 1222 D CB -1.645 39.271 40.800 0.195 0.000 1.069 1222 D HN 1.045 nan 8.370 nan 0.000 0.430 1223 F N -3.036 116.854 119.950 -0.100 0.000 2.643 1223 F HA 0.718 5.245 4.527 -0.000 0.000 0.314 1223 F C 1.184 176.863 175.800 -0.202 0.000 1.096 1223 F CA 0.008 57.898 58.000 -0.184 0.000 0.953 1223 F CB 1.077 39.925 39.000 -0.252 0.000 1.345 1223 F HN 0.145 nan 8.300 nan 0.000 0.468 1224 G N 1.357 110.042 108.800 -0.191 0.000 2.582 1224 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.288 1224 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.288 1224 G C 0.455 175.136 174.900 -0.366 0.000 1.247 1224 G CA 0.315 45.205 45.100 -0.350 0.000 0.972 1224 G HN 1.054 nan 8.290 nan 0.000 0.557 1225 L N 1.128 122.110 121.223 -0.402 0.000 2.551 1225 L HA 0.205 4.545 4.340 -0.000 0.000 0.228 1225 L C 2.937 179.619 176.870 -0.314 0.000 1.153 1225 L CA 1.192 55.857 54.840 -0.291 0.000 0.851 1225 L CB -0.492 41.395 42.059 -0.287 0.000 0.959 1225 L HN 0.704 nan 8.230 nan 0.000 0.451 1226 A N 0.668 123.211 122.820 -0.461 0.000 2.302 1226 A HA 0.064 4.384 4.320 -0.000 0.000 0.219 1226 A C 1.173 178.551 177.584 -0.343 0.000 1.243 1226 A CA -0.415 51.369 52.037 -0.422 0.000 0.856 1226 A CB -0.475 18.217 19.000 -0.513 0.000 0.893 1226 A HN 0.428 nan 8.150 nan 0.000 0.491 1227 R N -0.611 119.716 120.500 -0.290 0.000 2.840 1227 R HA 0.245 4.585 4.340 -0.000 0.000 0.282 1227 R C -0.625 175.525 176.300 -0.251 0.000 1.133 1227 R CA 0.238 56.222 56.100 -0.194 0.000 1.208 1227 R CB 0.033 30.250 30.300 -0.138 0.000 1.160 1227 R HN 0.121 nan 8.270 nan 0.000 0.576 1228 D N -1.330 118.975 120.400 -0.158 0.000 3.110 1228 D HA -0.115 4.525 4.640 -0.000 0.000 0.214 1228 D C -0.442 175.748 176.300 -0.184 0.000 1.112 1228 D CA 0.816 54.726 54.000 -0.150 0.000 0.927 1228 D CB -0.810 39.837 40.800 -0.255 0.000 1.095 1228 D HN 0.479 nan 8.370 nan 0.000 0.429 1229 M N -0.039 119.469 119.600 -0.154 0.000 2.238 1229 M HA 0.020 4.500 4.480 -0.000 0.000 0.350 1229 M C 0.652 176.963 176.300 0.018 0.000 1.321 1229 M CA 0.423 55.615 55.300 -0.180 0.000 1.097 1229 M CB -0.604 31.930 32.600 -0.111 0.000 1.713 1229 M HN 0.133 nan 8.290 nan 0.000 0.455 1230 Y N 0.904 121.271 120.300 0.111 0.000 3.001 1230 Y HA -0.263 4.287 4.550 -0.000 0.000 0.207 1230 Y C 1.096 177.100 175.900 0.174 0.000 1.231 1230 Y CA 0.481 58.674 58.100 0.154 0.000 1.024 1230 Y CB -1.708 36.856 38.460 0.172 0.000 1.267 1230 Y HN 0.734 nan 8.280 nan 0.000 0.501 1231 D N -0.737 119.826 120.400 0.272 0.000 2.355 1231 D HA -0.064 4.576 4.640 -0.000 0.000 0.218 1231 D C 1.207 177.623 176.300 0.193 0.000 1.004 1231 D CA 0.980 55.114 54.000 0.225 0.000 0.880 1231 D CB 0.090 41.027 40.800 0.230 0.000 0.911 1231 D HN 0.511 nan 8.370 nan 0.000 0.528 1232 K N 0.074 120.619 120.400 0.241 0.000 2.262 1232 K HA 0.085 4.405 4.320 -0.000 0.000 0.200 1232 K C 1.941 178.582 176.600 0.068 0.000 1.049 1232 K CA 0.514 56.916 56.287 0.191 0.000 0.979 1232 K CB 0.342 32.959 32.500 0.196 0.000 0.773 1232 K HN 0.123 nan 8.250 nan 0.000 0.474 1233 E N -0.507 119.727 120.200 0.057 0.000 2.140 1233 E HA 0.079 4.428 4.350 -0.000 0.000 0.191 1233 E C -0.464 175.864 176.600 -0.454 0.000 0.973 1233 E CA 0.602 56.885 56.400 -0.196 0.000 0.829 1233 E CB 0.414 30.024 29.700 -0.149 0.000 0.781 1233 E HN 0.034 nan 8.360 nan 0.000 0.466 1234 F N 0.568 120.560 119.950 0.070 0.000 2.581 1234 F HA 0.240 4.767 4.527 -0.000 0.000 0.311 1234 F C -0.297 175.521 175.800 0.030 0.000 1.113 1234 F CA -1.321 56.703 58.000 0.039 0.000 0.935 1234 F CB 1.713 40.715 39.000 0.004 0.000 1.232 1234 F HN -0.266 nan 8.300 nan 0.000 0.445 1235 D N 0.875 121.401 120.400 0.211 0.000 2.344 1235 D HA 0.091 4.731 4.640 -0.000 0.000 0.244 1235 D C -0.106 176.267 176.300 0.122 0.000 1.134 1235 D CA 0.038 54.111 54.000 0.121 0.000 0.930 1235 D CB 1.761 42.606 40.800 0.075 0.000 1.175 1235 D HN 0.366 nan 8.370 nan 0.000 0.437 1236 S N 0.116 115.868 115.700 0.087 0.000 2.562 1236 S HA 0.046 4.516 4.470 -0.000 0.000 0.281 1236 S C 1.346 175.964 174.600 0.030 0.000 1.333 1236 S CA -0.776 57.472 58.200 0.081 0.000 1.052 1236 S CB 0.734 64.003 63.200 0.115 0.000 0.884 1236 S HN 0.230 nan 8.310 nan 0.000 0.506 1237 V N 5.545 125.437 119.914 -0.036 0.000 3.078 1237 V HA -0.077 4.043 4.120 -0.000 0.000 0.265 1237 V C 1.861 177.719 176.094 -0.394 0.000 1.122 1237 V CA 1.353 63.547 62.300 -0.177 0.000 1.141 1237 V CB -1.093 30.619 31.823 -0.186 0.000 0.735 1237 V HN 0.853 nan 8.190 nan 0.000 0.498 1238 H N -0.465 118.490 119.070 -0.192 0.000 2.546 1238 H HA 0.051 4.607 4.556 -0.000 0.000 0.277 1238 H C 1.160 176.419 175.328 -0.117 0.000 1.004 1238 H CA 0.326 56.257 56.048 -0.195 0.000 1.231 1238 H CB 0.068 29.760 29.762 -0.118 0.000 1.382 1238 H HN 0.367 nan 8.280 nan 0.000 0.580 1239 N N 1.946 120.657 118.700 0.019 0.000 2.401 1239 N HA -0.029 4.711 4.740 -0.000 0.000 0.255 1239 N C 0.906 176.423 175.510 0.011 0.000 1.110 1239 N CA 0.012 53.076 53.050 0.023 0.000 0.949 1239 N CB 0.709 39.214 38.487 0.030 0.000 1.110 1239 N HN 0.154 nan 8.380 nan 0.000 0.490 1240 K N 1.047 121.459 120.400 0.020 0.000 2.103 1240 K HA -0.105 4.215 4.320 -0.000 0.000 0.207 1240 K C 0.891 177.513 176.600 0.038 0.000 1.048 1240 K CA 1.641 57.949 56.287 0.035 0.000 0.930 1240 K CB -0.015 32.508 32.500 0.038 0.000 0.716 1240 K HN 0.661 nan 8.250 nan 0.000 0.444 1241 T N -1.700 112.872 114.554 0.030 0.000 3.248 1241 T HA 0.228 4.578 4.350 -0.000 0.000 0.271 1241 T C 0.553 175.269 174.700 0.026 0.000 1.005 1241 T CA -0.592 61.525 62.100 0.028 0.000 0.902 1241 T CB 0.472 69.353 68.868 0.022 0.000 1.102 1241 T HN 0.102 nan 8.240 nan 0.000 0.548 1242 G N 0.307 109.126 108.800 0.032 0.000 2.353 1242 G HA2 0.450 4.410 3.960 -0.000 0.000 0.239 1242 G HA3 0.450 4.410 3.960 -0.000 0.000 0.239 1242 G C 0.900 175.822 174.900 0.037 0.000 1.295 1242 G CA -0.224 44.896 45.100 0.034 0.000 0.884 1242 G HN 0.568 nan 8.290 nan 0.000 0.537 1243 A N 1.885 124.722 122.820 0.028 0.000 2.238 1243 A HA 0.280 4.600 4.320 -0.000 0.000 0.210 1243 A C 1.353 178.959 177.584 0.037 0.000 1.179 1243 A CA 0.415 52.468 52.037 0.027 0.000 0.827 1243 A CB 0.217 19.225 19.000 0.014 0.000 0.856 1243 A HN 0.571 nan 8.150 nan 0.000 0.488 1244 K N 0.436 120.869 120.400 0.054 0.000 3.278 1244 K HA 0.361 4.680 4.320 -0.000 0.000 0.200 1244 K C -1.024 175.685 176.600 0.181 0.000 1.107 1244 K CA -0.218 56.117 56.287 0.079 0.000 0.923 1244 K CB 0.641 33.150 32.500 0.016 0.000 0.787 1244 K HN 0.289 nan 8.250 nan 0.000 0.481 1245 L N 3.046 124.365 121.223 0.161 0.000 2.456 1245 L HA 0.114 4.454 4.340 -0.000 0.000 0.272 1245 L C -1.558 175.478 176.870 0.277 0.000 1.189 1245 L CA -1.413 53.539 54.840 0.186 0.000 0.846 1245 L CB 0.132 42.267 42.059 0.128 0.000 1.111 1245 L HN 0.032 nan 8.230 nan 0.000 0.475 1246 P HA 0.012 nan 4.420 nan 0.000 0.225 1246 P C 0.993 178.516 177.300 0.371 0.000 1.813 1246 P CA -0.198 63.085 63.100 0.305 0.000 1.013 1246 P CB 0.131 31.692 31.700 -0.230 0.000 1.961 1247 V N 0.415 120.494 119.914 0.274 0.000 2.568 1247 V HA -0.241 3.879 4.120 -0.000 0.000 0.253 1247 V C 1.879 178.057 176.094 0.140 0.000 1.072 1247 V CA 1.382 63.779 62.300 0.163 0.000 1.084 1247 V CB -1.374 30.493 31.823 0.072 0.000 0.676 1247 V HN 0.149 nan 8.190 nan 0.000 0.469 1248 K N -0.943 119.567 120.400 0.183 0.000 2.515 1248 K HA -0.022 4.298 4.320 -0.000 0.000 0.196 1248 K C 1.648 178.226 176.600 -0.036 0.000 1.038 1248 K CA 1.316 57.602 56.287 -0.002 0.000 0.967 1248 K CB -0.141 32.273 32.500 -0.144 0.000 0.780 1248 K HN 0.679 nan 8.250 nan 0.000 0.483 1249 W N 0.212 121.589 121.300 0.128 0.000 3.177 1249 W HA 0.236 4.896 4.660 -0.000 0.000 0.309 1249 W C 0.190 176.837 176.519 0.213 0.000 1.224 1249 W CA -0.345 57.115 57.345 0.192 0.000 1.718 1249 W CB 0.256 29.777 29.460 0.102 0.000 1.078 1249 W HN -0.007 nan 8.180 nan 0.000 0.618 1250 M N 0.585 120.328 119.600 0.239 0.000 2.249 1250 M HA 0.383 4.862 4.480 -0.000 0.000 0.351 1250 M C 0.643 176.636 176.300 -0.511 0.000 1.180 1250 M CA -0.259 55.049 55.300 0.012 0.000 1.127 1250 M CB 1.250 33.874 32.600 0.040 0.000 1.546 1250 M HN -0.270 nan 8.290 nan 0.000 0.461 1251 A N 2.933 125.325 122.820 -0.713 0.000 2.466 1251 A HA 0.135 4.455 4.320 -0.000 0.000 0.238 1251 A C 1.167 178.136 177.584 -1.024 0.000 1.074 1251 A CA -0.346 50.846 52.037 -1.408 0.000 0.774 1251 A CB 0.182 18.830 19.000 -0.587 0.000 1.015 1251 A HN 1.091 nan 8.150 nan 0.000 0.498 1252 L N 0.529 121.028 121.223 -1.206 0.000 2.021 1252 L HA -0.216 4.124 4.340 -0.000 0.000 0.215 1252 L C 2.848 179.494 176.870 -0.374 0.000 1.074 1252 L CA 2.401 56.892 54.840 -0.581 0.000 0.760 1252 L CB -0.345 41.494 42.059 -0.367 0.000 0.889 1252 L HN 1.047 nan 8.230 nan 0.000 0.433 1253 E N -0.890 119.109 120.200 -0.334 0.000 2.204 1253 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 1253 E C 1.881 178.274 176.600 -0.346 0.000 0.989 1253 E CA 1.443 57.688 56.400 -0.259 0.000 0.824 1253 E CB -0.322 29.266 29.700 -0.186 0.000 0.756 1253 E HN 0.402 nan 8.360 nan 0.000 0.477 1254 S N 1.360 116.784 115.700 -0.460 0.000 2.368 1254 S HA -0.008 4.462 4.470 -0.000 0.000 0.224 1254 S C 2.173 176.534 174.600 -0.398 0.000 1.029 1254 S CA 1.005 58.811 58.200 -0.657 0.000 0.988 1254 S CB -0.296 62.500 63.200 -0.674 0.000 0.838 1254 S HN 0.202 nan 8.310 nan 0.000 0.462 1255 L N 1.141 122.195 121.223 -0.281 0.000 2.046 1255 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 1255 L C 2.738 179.523 176.870 -0.141 0.000 1.077 1255 L CA 1.317 56.056 54.840 -0.168 0.000 0.747 1255 L CB -0.458 41.498 42.059 -0.173 0.000 0.896 1255 L HN 0.349 nan 8.230 nan 0.000 0.432 1256 Q N -1.056 118.644 119.800 -0.166 0.000 2.123 1256 Q HA -0.073 4.267 4.340 -0.000 0.000 0.196 1256 Q C 1.448 177.382 176.000 -0.110 0.000 0.958 1256 Q CA 1.761 57.491 55.803 -0.121 0.000 0.841 1256 Q CB 0.255 28.923 28.738 -0.117 0.000 0.915 1256 Q HN 0.561 nan 8.270 nan 0.000 0.455 1257 T N -4.066 110.400 114.554 -0.146 0.000 3.275 1257 T HA 0.206 4.556 4.350 -0.000 0.000 0.298 1257 T C -0.298 174.313 174.700 -0.149 0.000 0.988 1257 T CA -0.346 61.682 62.100 -0.120 0.000 0.936 1257 T CB 0.589 69.396 68.868 -0.102 0.000 1.159 1257 T HN 0.019 nan 8.240 nan 0.000 0.519 1258 Q N 0.787 120.455 119.800 -0.221 0.000 2.481 1258 Q HA -0.157 4.183 4.340 -0.000 0.000 0.272 1258 Q C -0.498 175.257 176.000 -0.409 0.000 1.157 1258 Q CA 0.884 56.533 55.803 -0.256 0.000 0.935 1258 Q CB -2.024 26.732 28.738 0.030 0.000 1.338 1258 Q HN 0.665 nan 8.270 nan 0.000 0.494 1259 K N 0.426 120.506 120.400 -0.534 0.000 2.262 1259 K HA 0.426 4.746 4.320 -0.000 0.000 0.282 1259 K C -0.635 175.589 176.600 -0.627 0.000 1.066 1259 K CA -0.158 55.897 56.287 -0.385 0.000 0.901 1259 K CB 0.491 32.851 32.500 -0.235 0.000 1.089 1259 K HN 0.003 nan 8.250 nan 0.000 0.476 1260 F N 1.674 121.597 119.950 -0.045 0.000 2.449 1260 F HA 0.280 4.807 4.527 -0.000 0.000 0.342 1260 F C 0.753 176.533 175.800 -0.033 0.000 1.127 1260 F CA -0.557 57.413 58.000 -0.050 0.000 0.975 1260 F CB 1.867 40.816 39.000 -0.085 0.000 1.146 1260 F HN 0.457 nan 8.300 nan 0.000 0.444 1261 T N -2.149 112.478 114.554 0.122 0.000 2.778 1261 T HA 0.269 4.619 4.350 -0.000 0.000 0.293 1261 T C 0.677 175.442 174.700 0.107 0.000 1.144 1261 T CA -0.624 61.525 62.100 0.082 0.000 1.010 1261 T CB 1.451 70.343 68.868 0.041 0.000 1.325 1261 T HN 0.303 nan 8.240 nan 0.000 0.515 1262 T N 0.855 115.466 114.554 0.095 0.000 2.803 1262 T HA -0.053 4.297 4.350 -0.000 0.000 0.269 1262 T C 1.739 176.520 174.700 0.136 0.000 1.052 1262 T CA 1.024 63.216 62.100 0.153 0.000 1.136 1262 T CB -0.292 68.658 68.868 0.136 0.000 0.864 1262 T HN 0.456 nan 8.240 nan 0.000 0.467 1263 K N 1.599 122.041 120.400 0.069 0.000 2.211 1263 K HA 0.028 4.348 4.320 -0.000 0.000 0.203 1263 K C 2.629 179.311 176.600 0.137 0.000 1.050 1263 K CA 1.098 57.415 56.287 0.050 0.000 0.945 1263 K CB -0.506 32.011 32.500 0.027 0.000 0.732 1263 K HN 0.555 nan 8.250 nan 0.000 0.451 1264 S N 0.718 116.506 115.700 0.146 0.000 2.436 1264 S HA -0.066 4.404 4.470 -0.000 0.000 0.228 1264 S C 1.445 176.229 174.600 0.307 0.000 1.014 1264 S CA 0.674 58.988 58.200 0.190 0.000 0.950 1264 S CB -0.037 63.204 63.200 0.069 0.000 0.784 1264 S HN 0.085 nan 8.310 nan 0.000 0.504 1265 D N 1.826 122.409 120.400 0.305 0.000 2.144 1265 D HA -0.027 4.613 4.640 -0.000 0.000 0.199 1265 D C 2.029 178.639 176.300 0.516 0.000 0.984 1265 D CA 0.818 55.064 54.000 0.411 0.000 0.834 1265 D CB -0.461 40.608 40.800 0.449 0.000 0.955 1265 D HN 0.307 nan 8.370 nan 0.000 0.465 1266 V N 0.727 120.804 119.914 0.272 0.000 2.343 1266 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 1266 V C 2.153 178.436 176.094 0.315 0.000 1.051 1266 V CA 1.175 63.494 62.300 0.031 0.000 1.036 1266 V CB -0.413 31.223 31.823 -0.312 0.000 0.654 1266 V HN 0.390 nan 8.190 nan 0.000 0.451 1267 W N 1.212 122.641 121.300 0.215 0.000 2.333 1267 W HA -0.228 4.432 4.660 -0.000 0.000 0.316 1267 W C 2.564 179.350 176.519 0.445 0.000 1.215 1267 W CA 2.290 59.853 57.345 0.363 0.000 1.278 1267 W CB -0.708 28.938 29.460 0.311 0.000 1.154 1267 W HN 0.327 nan 8.180 nan 0.000 0.486 1268 S N 0.515 116.670 115.700 0.758 0.000 2.383 1268 S HA -0.247 4.222 4.470 -0.000 0.000 0.229 1268 S C 1.607 176.543 174.600 0.560 0.000 1.030 1268 S CA 1.652 60.248 58.200 0.661 0.000 1.002 1268 S CB -1.086 62.423 63.200 0.515 0.000 0.829 1268 S HN 0.363 nan 8.310 nan 0.000 0.467 1269 F N 2.469 122.652 119.950 0.389 0.000 2.171 1269 F HA -0.037 4.490 4.527 -0.000 0.000 0.300 1269 F C 2.255 178.193 175.800 0.229 0.000 1.090 1269 F CA 1.267 59.458 58.000 0.319 0.000 1.293 1269 F CB -0.764 38.482 39.000 0.410 0.000 1.013 1269 F HN 0.232 nan 8.300 nan 0.000 0.486 1270 G N 0.020 108.868 108.800 0.081 0.000 2.418 1270 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 1270 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 1270 G C 1.671 176.685 174.900 0.190 0.000 1.158 1270 G CA 1.180 46.155 45.100 -0.208 0.000 0.771 1270 G HN 0.335 nan 8.290 nan 0.000 0.545 1271 V N 0.923 121.116 119.914 0.464 0.000 2.407 1271 V HA -0.137 3.983 4.120 -0.000 0.000 0.248 1271 V C 2.674 178.938 176.094 0.282 0.000 1.055 1271 V CA 1.619 64.106 62.300 0.312 0.000 1.049 1271 V CB -0.484 31.369 31.823 0.051 0.000 0.662 1271 V HN 0.405 nan 8.190 nan 0.000 0.455 1272 L N -0.682 120.690 121.223 0.250 0.000 2.046 1272 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 1272 L C 2.337 179.238 176.870 0.051 0.000 1.077 1272 L CA 1.607 56.563 54.840 0.193 0.000 0.747 1272 L CB -0.172 41.971 42.059 0.139 0.000 0.896 1272 L HN 0.243 nan 8.230 nan 0.000 0.432 1273 L N -1.530 119.600 121.223 -0.156 0.000 2.046 1273 L HA -0.270 4.070 4.340 -0.000 0.000 0.208 1273 L C 2.352 179.271 176.870 0.080 0.000 1.077 1273 L CA 1.884 56.645 54.840 -0.131 0.000 0.747 1273 L CB -0.688 41.211 42.059 -0.266 0.000 0.896 1273 L HN 0.513 nan 8.230 nan 0.000 0.432 1274 W N 1.347 122.653 121.300 0.010 0.000 2.358 1274 W HA -0.199 4.461 4.660 -0.000 0.000 0.303 1274 W C 2.430 178.981 176.519 0.053 0.000 1.208 1274 W CA 1.664 59.052 57.345 0.072 0.000 1.274 1274 W CB 0.033 29.568 29.460 0.126 0.000 1.138 1274 W HN 0.099 nan 8.180 nan 0.000 0.515 1275 E N 0.216 120.635 120.200 0.366 0.000 2.058 1275 E HA -0.286 4.064 4.350 -0.000 0.000 0.194 1275 E C 2.181 178.822 176.600 0.068 0.000 0.997 1275 E CA 1.855 58.392 56.400 0.227 0.000 0.801 1275 E CB -0.751 29.144 29.700 0.325 0.000 0.746 1275 E HN 0.365 nan 8.360 nan 0.000 0.450 1276 L N 0.241 121.515 121.223 0.085 0.000 1.989 1276 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 1276 L C 2.478 179.348 176.870 0.000 0.000 1.071 1276 L CA 0.870 55.760 54.840 0.083 0.000 0.749 1276 L CB -0.297 41.826 42.059 0.108 0.000 0.890 1276 L HN 0.239 nan 8.230 nan 0.000 0.431 1277 M N -0.761 118.794 119.600 -0.075 0.000 2.476 1277 M HA -0.059 4.421 4.480 -0.000 0.000 0.262 1277 M C 2.119 178.311 176.300 -0.181 0.000 1.079 1277 M CA 1.399 56.628 55.300 -0.119 0.000 1.104 1277 M CB -1.474 31.055 32.600 -0.118 0.000 1.409 1277 M HN 0.376 nan 8.290 nan 0.000 0.467 1278 T N -3.130 111.241 114.554 -0.304 0.000 3.107 1278 T HA 0.211 4.561 4.350 -0.000 0.000 0.249 1278 T C 0.765 175.409 174.700 -0.093 0.000 1.096 1278 T CA -0.301 61.632 62.100 -0.279 0.000 1.012 1278 T CB -0.153 68.359 68.868 -0.594 0.000 0.977 1278 T HN 0.431 nan 8.240 nan 0.000 0.527 1279 R N 0.706 121.177 120.500 -0.049 0.000 3.416 1279 R HA -0.153 4.187 4.340 -0.000 0.000 0.263 1279 R C 0.995 177.323 176.300 0.047 0.000 1.053 1279 R CA 0.403 56.513 56.100 0.018 0.000 0.705 1279 R CB -2.324 27.979 30.300 0.005 0.000 1.124 1279 R HN 0.932 nan 8.270 nan 0.000 0.444 1280 G N -1.725 107.107 108.800 0.053 0.000 2.142 1280 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.225 1280 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.225 1280 G C 0.250 175.225 174.900 0.125 0.000 1.015 1280 G CA 0.119 45.286 45.100 0.112 0.000 0.716 1280 G HN 0.849 nan 8.290 nan 0.000 0.508 1281 A N 0.700 123.570 122.820 0.083 0.000 2.483 1281 A HA 0.620 4.940 4.320 -0.000 0.000 0.238 1281 A C -0.982 176.733 177.584 0.220 0.000 1.070 1281 A CA -0.314 51.792 52.037 0.114 0.000 0.770 1281 A CB 0.192 19.205 19.000 0.023 0.000 1.008 1281 A HN 0.342 nan 8.150 nan 0.000 0.497 1282 P HA 0.215 nan 4.420 nan 0.000 0.271 1282 P C -2.699 174.606 177.300 0.008 0.000 1.220 1282 P CA -1.167 62.016 63.100 0.139 0.000 0.768 1282 P CB -0.161 31.600 31.700 0.103 0.000 0.848 1283 P HA -0.031 nan 4.420 nan 0.000 0.266 1283 P C -0.604 176.356 177.300 -0.566 0.000 1.195 1283 P CA 0.487 63.108 63.100 -0.798 0.000 0.768 1283 P CB -0.310 30.788 31.700 -1.004 0.000 0.838 1284 Y N -0.296 119.563 120.300 -0.736 0.000 3.057 1284 Y HA -0.196 4.354 4.550 -0.000 0.000 0.192 1284 Y C -1.421 174.258 175.900 -0.368 0.000 1.448 1284 Y CA -0.592 57.184 58.100 -0.540 0.000 1.065 1284 Y CB -2.785 35.318 38.460 -0.595 0.000 1.369 1284 Y HN 0.424 nan 8.280 nan 0.000 0.460 1293 T N 0.331 114.827 114.554 -0.097 0.000 2.708 1293 T HA -0.103 4.247 4.350 -0.000 0.000 0.266 1293 T C 1.805 176.477 174.700 -0.047 0.000 1.037 1293 T CA 2.150 64.201 62.100 -0.081 0.000 1.146 1293 T CB -0.327 68.494 68.868 -0.079 0.000 0.865 1293 T HN 0.176 nan 8.240 nan 0.000 0.435 1294 V N 0.367 120.265 119.914 -0.027 0.000 2.427 1294 V HA -0.144 3.976 4.120 -0.000 0.000 0.248 1294 V C 2.005 178.097 176.094 -0.003 0.000 1.051 1294 V CA 1.414 63.705 62.300 -0.015 0.000 1.048 1294 V CB -0.735 31.083 31.823 -0.008 0.000 0.666 1294 V HN 0.483 nan 8.190 nan 0.000 0.456 1295 Y N 0.660 120.889 120.300 -0.117 0.000 2.097 1295 Y HA -0.256 4.294 4.550 -0.000 0.000 0.282 1295 Y C 2.239 178.071 175.900 -0.114 0.000 1.152 1295 Y CA 1.876 59.899 58.100 -0.127 0.000 1.136 1295 Y CB -0.275 38.064 38.460 -0.202 0.000 0.975 1295 Y HN 0.136 nan 8.280 nan 0.000 0.498 1296 L N -0.404 120.814 121.223 -0.009 0.000 2.083 1296 L HA -0.247 4.093 4.340 -0.000 0.000 0.209 1296 L C 2.323 179.150 176.870 -0.070 0.000 1.083 1296 L CA 1.124 55.939 54.840 -0.040 0.000 0.752 1296 L CB -0.545 41.532 42.059 0.030 0.000 0.899 1296 L HN 0.302 nan 8.230 nan 0.000 0.433 1297 L N -0.717 120.468 121.223 -0.063 0.000 2.465 1297 L HA -0.143 4.197 4.340 -0.000 0.000 0.224 1297 L C 2.264 179.089 176.870 -0.075 0.000 1.145 1297 L CA 0.557 55.365 54.840 -0.054 0.000 0.834 1297 L CB -0.270 41.763 42.059 -0.044 0.000 0.944 1297 L HN 0.371 nan 8.230 nan 0.000 0.451 1298 Q N 0.070 119.796 119.800 -0.123 0.000 2.436 1298 Q HA 0.014 4.354 4.340 -0.000 0.000 0.209 1298 Q C 1.018 176.941 176.000 -0.127 0.000 0.965 1298 Q CA 0.671 56.394 55.803 -0.134 0.000 0.910 1298 Q CB 0.232 28.856 28.738 -0.190 0.000 0.980 1298 Q HN 0.549 nan 8.270 nan 0.000 0.491 1299 G N 0.933 109.658 108.800 -0.124 0.000 2.427 1299 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.193 1299 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.193 1299 G C -0.617 174.216 174.900 -0.111 0.000 1.086 1299 G CA -0.623 44.423 45.100 -0.091 0.000 0.818 1299 G HN 0.102 nan 8.290 nan 0.000 0.490 1300 R N -0.547 119.861 120.500 -0.153 0.000 2.807 1300 R HA 0.871 5.211 4.340 -0.000 0.000 0.276 1300 R C -0.198 176.075 176.300 -0.045 0.000 0.979 1300 R CA -1.055 54.946 56.100 -0.165 0.000 0.928 1300 R CB 1.724 31.727 30.300 -0.494 0.000 1.191 1300 R HN 0.159 nan 8.270 nan 0.000 0.471 1301 R N 1.001 121.508 120.500 0.012 0.000 2.855 1301 R HA 0.417 4.757 4.340 -0.000 0.000 0.266 1301 R C -0.571 175.709 176.300 -0.035 0.000 1.034 1301 R CA -1.210 54.860 56.100 -0.049 0.000 0.944 1301 R CB 0.874 31.166 30.300 -0.013 0.000 1.219 1301 R HN 0.429 nan 8.270 nan 0.000 0.474 1302 L N 2.044 123.018 121.223 -0.415 0.000 2.559 1302 L HA 0.055 4.395 4.340 -0.000 0.000 0.282 1302 L C 0.550 177.493 176.870 0.122 0.000 1.232 1302 L CA 0.294 54.826 54.840 -0.514 0.000 0.885 1302 L CB -0.037 41.267 42.059 -1.258 0.000 1.131 1302 L HN 0.234 nan 8.230 nan 0.000 0.498 1303 L N 2.826 124.183 121.223 0.224 0.000 2.453 1303 L HA 0.156 4.496 4.340 -0.000 0.000 0.261 1303 L C 0.555 177.576 176.870 0.252 0.000 1.179 1303 L CA -0.241 54.765 54.840 0.276 0.000 0.813 1303 L CB 0.393 42.588 42.059 0.226 0.000 1.110 1303 L HN 0.618 nan 8.230 nan 0.000 0.466 1304 Q N 2.607 122.217 119.800 -0.317 0.000 2.271 1304 Q HA 0.163 4.503 4.340 -0.000 0.000 0.273 1304 Q C -2.225 173.640 176.000 -0.226 0.000 1.051 1304 Q CA -1.459 53.909 55.803 -0.725 0.000 0.901 1304 Q CB 0.798 28.845 28.738 -1.152 0.000 1.174 1304 Q HN 0.264 nan 8.270 nan 0.000 0.385 1305 P HA -0.116 nan 4.420 nan 0.000 0.266 1305 P C -0.150 177.029 177.300 -0.203 0.000 1.195 1305 P CA 0.263 63.248 63.100 -0.192 0.000 0.768 1305 P CB 0.562 32.093 31.700 -0.282 0.000 0.838 1306 E N 1.320 121.373 120.200 -0.245 0.000 2.160 1306 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 1306 E C 0.272 176.576 176.600 -0.492 0.000 0.991 1306 E CA 1.660 57.825 56.400 -0.392 0.000 0.810 1306 E CB -0.617 28.777 29.700 -0.510 0.000 0.742 1306 E HN 0.548 nan 8.360 nan 0.000 0.466 1307 Y N 0.393 120.610 120.300 -0.139 0.000 2.524 1307 Y HA 0.220 4.770 4.550 -0.000 0.000 0.266 1307 Y C 0.606 176.421 175.900 -0.140 0.000 1.180 1307 Y CA -0.893 57.126 58.100 -0.136 0.000 1.244 1307 Y CB 0.455 38.832 38.460 -0.137 0.000 1.125 1307 Y HN 0.103 nan 8.280 nan 0.000 0.524 1308 C N 4.155 123.432 119.300 -0.037 0.000 2.482 1308 C HA 0.371 4.831 4.460 -0.000 0.000 0.378 1308 C C -2.092 172.896 174.990 -0.004 0.000 1.284 1308 C CA -2.353 56.646 59.018 -0.032 0.000 1.826 1308 C CB -0.434 27.287 27.740 -0.032 0.000 2.473 1308 C HN 0.183 nan 8.230 nan 0.000 0.562 1309 P HA 0.121 nan 4.420 nan 0.000 0.268 1309 P C 0.419 177.789 177.300 0.117 0.000 1.205 1309 P CA 0.309 63.479 63.100 0.116 0.000 0.771 1309 P CB 0.600 32.449 31.700 0.250 0.000 0.858 1310 D N 4.058 124.521 120.400 0.106 0.000 2.133 1310 D HA -0.164 4.476 4.640 -0.000 0.000 0.192 1310 D C -0.588 175.792 176.300 0.134 0.000 1.001 1310 D CA 1.994 56.067 54.000 0.121 0.000 0.844 1310 D CB -1.873 38.978 40.800 0.085 0.000 0.944 1310 D HN 0.434 nan 8.370 nan 0.000 0.447 1311 P HA -0.110 nan 4.420 nan 0.000 0.218 1311 P C 1.789 179.143 177.300 0.089 0.000 1.148 1311 P CA 0.732 63.887 63.100 0.092 0.000 0.822 1311 P CB 0.076 31.835 31.700 0.098 0.000 0.784 1312 L N -1.733 119.559 121.223 0.115 0.000 2.131 1312 L HA -0.039 4.301 4.340 -0.000 0.000 0.206 1312 L C 2.671 179.591 176.870 0.083 0.000 1.087 1312 L CA 1.358 56.251 54.840 0.088 0.000 0.767 1312 L CB -1.319 40.790 42.059 0.085 0.000 0.917 1312 L HN -0.167 nan 8.230 nan 0.000 0.441 1313 Y N 0.303 120.596 120.300 -0.012 0.000 2.181 1313 Y HA -0.285 4.265 4.550 -0.000 0.000 0.288 1313 Y C 2.360 178.222 175.900 -0.064 0.000 1.146 1313 Y CA 1.818 59.905 58.100 -0.023 0.000 1.164 1313 Y CB 0.166 38.642 38.460 0.026 0.000 0.982 1313 Y HN 0.306 nan 8.280 nan 0.000 0.515 1314 E N -0.680 119.493 120.200 -0.046 0.000 2.118 1314 E HA -0.228 4.122 4.350 -0.000 0.000 0.195 1314 E C 2.143 178.626 176.600 -0.195 0.000 0.992 1314 E CA 1.631 57.950 56.400 -0.134 0.000 0.804 1314 E CB -0.221 29.458 29.700 -0.035 0.000 0.741 1314 E HN 0.310 nan 8.360 nan 0.000 0.458 1315 V N 1.044 120.871 119.914 -0.145 0.000 2.343 1315 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 1315 V C 2.241 178.130 176.094 -0.341 0.000 1.051 1315 V CA 1.771 63.974 62.300 -0.161 0.000 1.036 1315 V CB -0.389 31.402 31.823 -0.054 0.000 0.654 1315 V HN 0.325 nan 8.190 nan 0.000 0.451 1316 M N -0.765 118.549 119.600 -0.477 0.000 2.080 1316 M HA -0.198 4.282 4.480 -0.000 0.000 0.260 1316 M C 2.182 177.679 176.300 -1.338 0.000 1.068 1316 M CA 1.966 56.675 55.300 -0.986 0.000 1.109 1316 M CB -0.544 31.529 32.600 -0.878 0.000 1.342 1316 M HN 0.263 nan 8.290 nan 0.000 0.405 1317 L N -0.140 120.572 121.223 -0.852 0.000 2.079 1317 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 1317 L C 2.401 179.057 176.870 -0.358 0.000 1.081 1317 L CA 1.396 55.928 54.840 -0.513 0.000 0.752 1317 L CB -0.705 41.112 42.059 -0.404 0.000 0.896 1317 L HN 0.317 nan 8.230 nan 0.000 0.433 1318 K N -0.648 119.563 120.400 -0.316 0.000 2.097 1318 K HA -0.142 4.178 4.320 -0.000 0.000 0.206 1318 K C 2.153 178.648 176.600 -0.175 0.000 1.049 1318 K CA 1.486 57.679 56.287 -0.157 0.000 0.933 1318 K CB -0.323 32.107 32.500 -0.118 0.000 0.717 1318 K HN 0.351 nan 8.250 nan 0.000 0.442 1319 C N -0.103 118.967 119.300 -0.383 0.000 2.419 1319 C HA -0.088 4.372 4.460 -0.000 0.000 0.281 1319 C C 1.331 176.132 174.990 -0.315 0.000 1.336 1319 C CA 0.148 58.941 59.018 -0.374 0.000 1.770 1319 C CB -0.767 26.657 27.740 -0.528 0.000 1.929 1319 C HN 0.571 nan 8.230 nan 0.000 0.509 1320 W N 0.004 121.074 121.300 -0.384 0.000 3.067 1320 W HA 0.291 4.951 4.660 -0.000 0.000 0.417 1320 W C 0.876 177.265 176.519 -0.217 0.000 1.029 1320 W CA -0.880 56.020 57.345 -0.742 0.000 1.992 1320 W CB -1.596 27.186 29.460 -1.131 0.000 1.122 1320 W HN 0.416 nan 8.180 nan 0.000 0.681 1321 H N 3.750 122.856 119.070 0.060 0.000 3.094 1321 H HA -0.036 4.520 4.556 -0.000 0.000 0.320 1321 H C -1.137 174.318 175.328 0.211 0.000 1.000 1321 H CA -0.194 55.911 56.048 0.094 0.000 1.413 1321 H CB 1.300 31.088 29.762 0.042 0.000 1.405 1321 H HN -0.109 nan 8.280 nan 0.000 0.586 1322 P HA -0.093 nan 4.420 nan 0.000 0.220 1322 P C -0.297 177.192 177.300 0.314 0.000 1.148 1322 P CA 1.344 64.625 63.100 0.301 0.000 0.803 1322 P CB 0.342 32.128 31.700 0.144 0.000 0.782 1323 K N -0.040 120.636 120.400 0.461 0.000 2.281 1323 K HA 0.455 4.775 4.320 -0.000 0.000 0.272 1323 K C 1.233 177.875 176.600 0.071 0.000 1.048 1323 K CA -0.323 56.066 56.287 0.170 0.000 0.898 1323 K CB 1.107 33.640 32.500 0.054 0.000 1.128 1323 K HN -0.170 nan 8.250 nan 0.000 0.460 1324 A N 3.788 126.651 122.820 0.073 0.000 1.927 1324 A HA -0.268 4.052 4.320 -0.000 0.000 0.220 1324 A C 1.561 179.133 177.584 -0.019 0.000 1.185 1324 A CA 1.834 53.904 52.037 0.054 0.000 0.639 1324 A CB -0.330 18.690 19.000 0.033 0.000 0.820 1324 A HN 0.804 nan 8.150 nan 0.000 0.451 1325 E N -0.370 119.797 120.200 -0.055 0.000 2.265 1325 E HA -0.101 4.249 4.350 -0.000 0.000 0.196 1325 E C 1.591 178.109 176.600 -0.137 0.000 0.996 1325 E CA 1.084 57.436 56.400 -0.080 0.000 0.832 1325 E CB -0.303 29.356 29.700 -0.069 0.000 0.756 1325 E HN 0.529 nan 8.360 nan 0.000 0.491 1326 M N 0.508 119.960 119.600 -0.248 0.000 2.556 1326 M HA 0.129 4.609 4.480 -0.000 0.000 0.245 1326 M C 0.255 176.388 176.300 -0.278 0.000 1.128 1326 M CA 0.297 55.364 55.300 -0.388 0.000 1.069 1326 M CB -0.252 31.800 32.600 -0.913 0.000 1.469 1326 M HN -0.044 nan 8.290 nan 0.000 0.494 1327 R N 1.855 122.265 120.500 -0.150 0.000 2.643 1327 R HA 0.156 4.496 4.340 -0.000 0.000 0.270 1327 R C -2.117 174.114 176.300 -0.116 0.000 1.061 1327 R CA -1.277 54.779 56.100 -0.075 0.000 1.107 1327 R CB -0.338 29.951 30.300 -0.018 0.000 0.999 1327 R HN 0.041 nan 8.270 nan 0.000 0.460 1328 P HA -0.025 nan 4.420 nan 0.000 0.271 1328 P C -0.415 176.751 177.300 -0.224 0.000 1.218 1328 P CA -0.212 62.800 63.100 -0.146 0.000 0.780 1328 P CB 0.897 32.518 31.700 -0.131 0.000 0.901 1329 S N 1.470 117.063 115.700 -0.179 0.000 2.589 1329 S HA 0.123 4.593 4.470 -0.000 0.000 0.265 1329 S C 1.027 175.471 174.600 -0.259 0.000 1.342 1329 S CA -0.192 57.889 58.200 -0.198 0.000 1.005 1329 S CB -0.187 62.964 63.200 -0.082 0.000 0.909 1329 S HN 0.228 nan 8.310 nan 0.000 0.555 1330 F N 1.005 120.885 119.950 -0.117 0.000 2.216 1330 F HA -0.021 4.506 4.527 -0.000 0.000 0.300 1330 F C 2.896 178.615 175.800 -0.136 0.000 1.085 1330 F CA 1.344 59.235 58.000 -0.182 0.000 1.326 1330 F CB -1.006 37.873 39.000 -0.202 0.000 1.027 1330 F HN 0.578 nan 8.300 nan 0.000 0.497 1331 S N -0.437 115.301 115.700 0.063 0.000 2.359 1331 S HA -0.273 4.197 4.470 -0.000 0.000 0.224 1331 S C 2.054 176.656 174.600 0.004 0.000 1.035 1331 S CA 1.589 59.805 58.200 0.026 0.000 1.018 1331 S CB -0.397 62.811 63.200 0.013 0.000 0.876 1331 S HN 0.526 nan 8.310 nan 0.000 0.448 1332 E N 0.824 121.010 120.200 -0.024 0.000 2.110 1332 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 1332 E C 1.956 178.542 176.600 -0.022 0.000 0.988 1332 E CA 0.827 57.210 56.400 -0.028 0.000 0.804 1332 E CB -0.167 29.503 29.700 -0.050 0.000 0.745 1332 E HN 0.430 nan 8.360 nan 0.000 0.458 1333 L N 0.185 121.380 121.223 -0.047 0.000 2.056 1333 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 1333 L C 2.513 179.398 176.870 0.026 0.000 1.078 1333 L CA 0.678 55.504 54.840 -0.023 0.000 0.749 1333 L CB -0.276 41.715 42.059 -0.114 0.000 0.901 1333 L HN 0.110 nan 8.230 nan 0.000 0.433 1334 V N -1.110 118.815 119.914 0.019 0.000 2.343 1334 V HA -0.313 3.807 4.120 -0.000 0.000 0.247 1334 V C 2.685 178.805 176.094 0.043 0.000 1.051 1334 V CA 2.033 64.353 62.300 0.033 0.000 1.036 1334 V CB -0.357 31.482 31.823 0.027 0.000 0.654 1334 V HN 0.462 nan 8.190 nan 0.000 0.451 1335 S N -0.456 115.265 115.700 0.035 0.000 2.348 1335 S HA -0.223 4.247 4.470 -0.000 0.000 0.221 1335 S C 2.202 176.834 174.600 0.052 0.000 1.033 1335 S CA 1.741 59.965 58.200 0.039 0.000 1.010 1335 S CB -0.217 62.998 63.200 0.025 0.000 0.891 1335 S HN 0.545 nan 8.310 nan 0.000 0.442 1336 R N 0.071 120.600 120.500 0.048 0.000 2.075 1336 R HA 0.074 4.414 4.340 -0.000 0.000 0.232 1336 R C 2.322 178.678 176.300 0.093 0.000 1.126 1336 R CA 1.663 57.797 56.100 0.058 0.000 0.963 1336 R CB -0.415 29.910 30.300 0.041 0.000 0.858 1336 R HN 0.476 nan 8.270 nan 0.000 0.435 1337 I N 0.672 121.306 120.570 0.107 0.000 2.439 1337 I HA -0.231 3.939 4.170 -0.000 0.000 0.251 1337 I C 2.531 178.749 176.117 0.169 0.000 1.139 1337 I CA 1.118 62.505 61.300 0.145 0.000 1.438 1337 I CB -0.307 37.790 38.000 0.161 0.000 1.085 1337 I HN 0.218 nan 8.210 nan 0.000 0.427 1338 S N 1.539 117.316 115.700 0.129 0.000 2.383 1338 S HA -0.197 4.273 4.470 -0.000 0.000 0.229 1338 S C 2.214 176.944 174.600 0.216 0.000 1.030 1338 S CA 1.052 59.347 58.200 0.157 0.000 1.002 1338 S CB -0.528 62.730 63.200 0.098 0.000 0.829 1338 S HN 0.402 nan 8.310 nan 0.000 0.467 1339 A N 1.929 124.840 122.820 0.152 0.000 1.872 1339 A HA 0.170 4.490 4.320 -0.000 0.000 0.214 1339 A C 2.251 179.923 177.584 0.147 0.000 1.187 1339 A CA 1.293 53.404 52.037 0.123 0.000 0.614 1339 A CB -0.829 18.219 19.000 0.081 0.000 0.826 1339 A HN 0.560 nan 8.150 nan 0.000 0.442 1340 I N -1.598 119.081 120.570 0.182 0.000 2.163 1340 I HA -0.264 3.906 4.170 -0.000 0.000 0.243 1340 I C 2.356 178.691 176.117 0.363 0.000 1.085 1340 I CA 1.800 63.246 61.300 0.242 0.000 1.347 1340 I CB -0.423 37.725 38.000 0.246 0.000 1.044 1340 I HN 0.451 nan 8.210 nan 0.000 0.408 1341 F N 2.127 122.193 119.950 0.194 0.000 2.120 1341 F HA -0.344 4.183 4.527 -0.000 0.000 0.300 1341 F C 2.827 178.738 175.800 0.184 0.000 1.095 1341 F CA 1.929 60.041 58.000 0.186 0.000 1.249 1341 F CB -0.544 38.509 39.000 0.088 0.000 0.995 1341 F HN 0.163 nan 8.300 nan 0.000 0.480 1342 S N -1.119 114.642 115.700 0.103 0.000 2.469 1342 S HA -0.192 4.277 4.470 -0.000 0.000 0.238 1342 S C 1.891 176.408 174.600 -0.138 0.000 0.998 1342 S CA 1.299 59.461 58.200 -0.063 0.000 0.957 1342 S CB -1.532 61.701 63.200 0.055 0.000 0.764 1342 S HN 0.641 nan 8.310 nan 0.000 0.514 1343 T N -1.971 112.502 114.554 -0.135 0.000 3.088 1343 T HA 0.288 4.638 4.350 -0.000 0.000 0.259 1343 T C 0.231 174.634 174.700 -0.495 0.000 1.122 1343 T CA -0.304 61.611 62.100 -0.308 0.000 1.095 1343 T CB -0.587 68.043 68.868 -0.397 0.000 0.930 1343 T HN 0.300 nan 8.240 nan 0.000 0.508 1344 F N 1.367 121.187 119.950 -0.217 0.000 2.399 1344 F HA 0.543 5.070 4.527 -0.000 0.000 0.328 1344 F C 1.179 176.800 175.800 -0.298 0.000 1.084 1344 F CA -1.667 56.193 58.000 -0.233 0.000 1.053 1344 F CB 1.380 40.249 39.000 -0.219 0.000 1.209 1344 F HN 0.013 nan 8.300 nan 0.000 0.502 1345 I N -1.086 119.426 120.570 -0.097 0.000 4.225 1345 I HA 0.513 4.683 4.170 -0.000 0.000 0.327 1345 I C 0.789 176.806 176.117 -0.166 0.000 1.422 1345 I CA -0.129 61.080 61.300 -0.152 0.000 1.150 1345 I CB 0.613 38.527 38.000 -0.144 0.000 1.192 1345 I HN 0.739 nan 8.210 nan 0.000 0.440 1346 G N 2.810 111.497 108.800 -0.187 0.000 2.142 1346 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.225 1346 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.225 1346 G C 0.462 175.171 174.900 -0.318 0.000 1.015 1346 G CA 0.524 45.472 45.100 -0.254 0.000 0.716 1346 G HN 0.818 nan 8.290 nan 0.000 0.508 1347 E N -0.766 119.235 120.200 -0.332 0.000 2.476 1347 E HA 0.109 4.459 4.350 -0.000 0.000 0.199 1347 E C 0.044 176.498 176.600 -0.243 0.000 1.021 1347 E CA -0.398 55.834 56.400 -0.280 0.000 0.907 1347 E CB 0.224 29.779 29.700 -0.241 0.000 0.974 1347 E HN 0.488 nan 8.360 nan 0.000 0.489 1348 H N 0.969 119.945 119.070 -0.157 0.000 2.623 1348 H HA 0.226 4.782 4.556 -0.000 0.000 0.299 1348 H C -1.169 173.971 175.328 -0.313 0.000 1.052 1348 H CA -0.899 55.094 56.048 -0.092 0.000 1.231 1348 H CB -0.139 29.620 29.762 -0.004 0.000 1.389 1348 H HN 0.092 nan 8.280 nan 0.000 0.469 1349 Y N 1.387 121.641 120.300 -0.077 0.000 2.319 1349 Y HA 0.213 4.763 4.550 -0.000 0.000 0.328 1349 Y C 0.678 176.130 175.900 -0.745 0.000 1.133 1349 Y CA -0.366 57.541 58.100 -0.323 0.000 1.265 1349 Y CB 1.041 39.372 38.460 -0.216 0.000 1.218 1349 Y HN 0.244 nan 8.280 nan 0.000 0.508 1350 V N 4.536 123.988 119.914 -0.770 0.000 2.435 1350 V HA 0.353 4.473 4.120 -0.000 0.000 0.290 1350 V C -0.236 175.211 176.094 -1.078 0.000 1.030 1350 V CA -0.803 60.846 62.300 -1.084 0.000 0.881 1350 V CB 0.931 32.411 31.823 -0.572 0.000 0.983 1350 V HN 0.742 nan 8.190 nan 0.000 0.445 1351 H N 1.961 120.696 119.070 -0.558 0.000 2.834 1351 H HA 0.547 5.103 4.556 -0.000 0.000 0.369 1351 H C -0.386 174.941 175.328 -0.000 0.000 1.174 1351 H CA -0.703 55.252 56.048 -0.155 0.000 1.165 1351 H CB 2.145 31.869 29.762 -0.064 0.000 1.820 1351 H HN 0.569 nan 8.280 nan 0.000 0.558 1352 V N 0.164 120.161 119.914 0.138 0.000 2.843 1352 V HA 0.065 4.185 4.120 -0.000 0.000 0.305 1352 V C 0.839 176.977 176.094 0.073 0.000 1.065 1352 V CA -0.756 61.598 62.300 0.090 0.000 1.116 1352 V CB 0.478 32.346 31.823 0.074 0.000 0.968 1352 V HN 0.670 nan 8.190 nan 0.000 0.487 1353 N N 2.982 121.667 118.700 -0.024 0.000 2.470 1353 N HA 0.226 4.966 4.740 -0.000 0.000 0.268 1353 N C 1.087 176.524 175.510 -0.122 0.000 1.136 1353 N CA 0.527 53.463 53.050 -0.189 0.000 0.961 1353 N CB 1.676 39.782 38.487 -0.635 0.000 1.067 1353 N HN 0.989 nan 8.380 nan 0.000 0.468 1354 A N 3.017 125.786 122.820 -0.084 0.000 1.986 1354 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 1354 A C 1.922 179.500 177.584 -0.011 0.000 1.171 1354 A CA 2.364 54.382 52.037 -0.032 0.000 0.640 1354 A CB -0.927 18.055 19.000 -0.030 0.000 0.811 1354 A HN 0.831 nan 8.150 nan 0.000 0.451 1355 T N -4.465 110.052 114.554 -0.061 0.000 3.118 1355 T HA 0.045 4.395 4.350 -0.000 0.000 0.260 1355 T C 1.423 176.282 174.700 0.264 0.000 1.139 1355 T CA 0.981 63.109 62.100 0.047 0.000 1.085 1355 T CB -0.502 68.381 68.868 0.024 0.000 0.934 1355 T HN 0.664 nan 8.240 nan 0.000 0.518 1356 Y N 0.440 120.768 120.300 0.047 0.000 2.481 1356 Y HA 0.366 4.916 4.550 -0.000 0.000 0.258 1356 Y C 0.989 176.920 175.900 0.051 0.000 1.103 1356 Y CA -0.989 57.147 58.100 0.060 0.000 1.287 1356 Y CB 0.671 39.166 38.460 0.058 0.000 1.108 1356 Y HN 0.023 nan 8.280 nan 0.000 0.529 1357 V N 3.171 123.195 119.914 0.184 0.000 2.617 1357 V HA -0.165 3.955 4.120 -0.000 0.000 0.304 1357 V C 0.399 176.552 176.094 0.098 0.000 1.040 1357 V CA 0.609 62.978 62.300 0.116 0.000 1.149 1357 V CB 0.131 31.998 31.823 0.072 0.000 0.914 1357 V HN 0.652 nan 8.190 nan 0.000 0.487 1358 N N 1.281 120.031 118.700 0.082 0.000 2.900 1358 N HA -0.162 4.578 4.740 -0.000 0.000 0.240 1358 N C -0.061 175.491 175.510 0.070 0.000 0.953 1358 N CA 0.984 54.073 53.050 0.066 0.000 0.950 1358 N CB -1.185 37.333 38.487 0.052 0.000 1.102 1358 N HN 0.466 nan 8.380 nan 0.000 0.593 1359 V N 1.158 121.125 119.914 0.089 0.000 2.686 1359 V HA 0.162 4.282 4.120 -0.000 0.000 0.295 1359 V C 0.982 177.118 176.094 0.069 0.000 1.055 1359 V CA 0.284 62.630 62.300 0.077 0.000 1.050 1359 V CB 1.546 33.421 31.823 0.087 0.000 0.984 1359 V HN 0.075 nan 8.190 nan 0.000 0.482 1360 K N 0.000 120.434 120.400 0.057 0.000 2.780 1360 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1360 K CA 0.000 56.325 56.287 0.064 0.000 0.838 1360 K CB 0.000 32.528 32.500 0.046 0.000 1.064 1360 K HN 0.000 nan 8.250 nan 0.000 0.543