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 3ce3_1_A DATA FIRST_RESID 1054 DATA SEQUENCE DLSALNPELV QAVQHVVIGP SSLIVHFNEV IGRGHFGCVY HGTLLDNDGK DATA SEQUENCE KIHCAVKSLN RITDIGEVSQ FLTEGIIMKD FSHPNVLSLL GICLRSEGSP DATA SEQUENCE LVVLPYMKHG DLRNFIRNET HNPTVKDLIG FGLQVAKGMK FLASKKFVHR DATA SEQUENCE DLAARNCMLD EKFTVKVADF GXXXXXXXXX XXXXXNKTGA KLPVKWMALE DATA SEQUENCE SLQTQKFTTK SDVWSFGVLL WELMTRGAPP YPDVNTFDIT VYLLQGRRLL DATA SEQUENCE QPEYCPDPLY EVMLKCWHPK AEMRPSFSEL VSRISAIFST FIGEHYVHVN DATA SEQUENCE ATYVNVK 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 1054 D HA 0.000 nan 4.640 nan 0.000 0.175 1054 D C 0.000 176.302 176.300 0.004 0.000 2.045 1054 D CA 0.000 54.002 54.000 0.004 0.000 0.868 1054 D CB 0.000 40.803 40.800 0.005 0.000 0.688 1055 L N 2.291 123.515 121.223 0.002 0.000 3.168 1055 L HA 0.445 4.785 4.340 -0.000 0.000 0.277 1055 L C 0.716 177.585 176.870 -0.001 0.000 1.245 1055 L CA 0.133 54.974 54.840 0.001 0.000 1.035 1055 L CB 0.325 42.383 42.059 -0.001 0.000 1.399 1055 L HN 0.437 nan 8.230 nan 0.000 0.580 1056 S N -0.484 115.217 115.700 0.000 0.000 2.901 1056 S HA 0.795 5.264 4.470 -0.000 0.000 0.248 1056 S C 0.410 175.011 174.600 0.000 0.000 1.021 1056 S CA 0.521 58.721 58.200 -0.001 0.000 1.090 1056 S CB 0.724 63.924 63.200 -0.001 0.000 1.039 1056 S HN 0.384 nan 8.310 nan 0.000 0.514 1057 A N 0.125 122.946 122.820 0.001 0.000 2.697 1057 A HA 0.654 4.974 4.320 -0.000 0.000 0.111 1057 A C -1.133 176.454 177.584 0.004 0.000 1.504 1057 A CA -0.216 51.822 52.037 0.002 0.000 2.637 1057 A CB -0.241 18.759 19.000 -0.001 0.000 2.822 1057 A HN 0.207 nan 8.150 nan 0.000 1.206 1058 L N -1.473 119.751 121.223 0.003 0.000 3.776 1058 L HA 0.474 4.814 4.340 -0.000 0.000 0.190 1058 L C 0.072 176.943 176.870 0.002 0.000 1.238 1058 L CA 0.316 55.159 54.840 0.005 0.000 1.153 1058 L CB -0.187 41.877 42.059 0.008 0.000 1.662 1058 L HN 0.477 nan 8.230 nan 0.000 0.759 1059 N N 0.281 118.980 118.700 -0.002 0.000 2.818 1059 N HA 0.289 5.029 4.740 -0.000 0.000 0.301 1059 N C -2.562 172.942 175.510 -0.010 0.000 1.821 1059 N CA -1.068 51.979 53.050 -0.005 0.000 0.930 1059 N CB 0.669 39.154 38.487 -0.005 0.000 1.263 1059 N HN 0.066 nan 8.380 nan 0.000 0.487 1060 P HA -0.059 nan 4.420 nan 0.000 0.219 1060 P C 0.106 177.397 177.300 -0.014 0.000 1.501 1060 P CA 1.005 64.098 63.100 -0.012 0.000 1.124 1060 P CB 0.196 31.891 31.700 -0.008 0.000 1.848 1061 E N -0.947 119.241 120.200 -0.019 0.000 1.175 1061 E HA -0.041 4.309 4.350 -0.000 0.000 0.203 1061 E C 0.592 177.178 176.600 -0.023 0.000 0.916 1061 E CA 0.416 56.805 56.400 -0.018 0.000 0.885 1061 E CB -0.546 29.147 29.700 -0.011 0.000 4.771 1061 E HN 0.091 nan 8.360 nan 0.000 0.605 1062 L N 0.185 121.395 121.223 -0.023 0.000 2.356 1062 L HA 0.292 4.631 4.340 -0.000 0.000 0.193 1062 L C 1.912 178.759 176.870 -0.038 0.000 1.087 1062 L CA 0.862 55.687 54.840 -0.026 0.000 0.817 1062 L CB -0.789 41.260 42.059 -0.017 0.000 1.035 1062 L HN -0.008 nan 8.230 nan 0.000 0.482 1063 V N 1.854 121.748 119.914 -0.034 0.000 3.366 1063 V HA -0.053 4.066 4.120 -0.000 0.000 0.325 1063 V C 1.269 177.328 176.094 -0.057 0.000 1.168 1063 V CA 0.700 62.977 62.300 -0.040 0.000 1.348 1063 V CB -0.888 30.922 31.823 -0.023 0.000 1.069 1063 V HN 0.493 nan 8.190 nan 0.000 0.416 1064 Q N 0.128 119.883 119.800 -0.075 0.000 2.396 1064 Q HA 0.208 4.548 4.340 -0.000 0.000 0.209 1064 Q C 2.198 178.085 176.000 -0.188 0.000 0.906 1064 Q CA 0.948 56.689 55.803 -0.105 0.000 0.927 1064 Q CB 0.242 28.929 28.738 -0.085 0.000 1.069 1064 Q HN 0.723 nan 8.270 nan 0.000 0.523 1065 A N 1.049 123.765 122.820 -0.173 0.000 2.015 1065 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 1065 A C 2.095 179.544 177.584 -0.224 0.000 1.163 1065 A CA 0.841 52.736 52.037 -0.237 0.000 0.646 1065 A CB -0.406 18.527 19.000 -0.113 0.000 0.806 1065 A HN 0.161 nan 8.150 nan 0.000 0.448 1066 V N 0.147 119.977 119.914 -0.140 0.000 3.383 1066 V HA -0.192 3.928 4.120 -0.000 0.000 0.272 1066 V C 2.309 178.344 176.094 -0.098 0.000 1.181 1066 V CA 1.827 64.072 62.300 -0.092 0.000 1.171 1066 V CB -0.914 30.878 31.823 -0.053 0.000 0.800 1066 V HN 0.641 nan 8.190 nan 0.000 0.515 1067 Q N 0.486 120.177 119.800 -0.182 0.000 2.008 1067 Q HA -0.106 4.233 4.340 -0.000 0.000 0.196 1067 Q C 2.101 178.062 176.000 -0.066 0.000 0.973 1067 Q CA 1.905 57.619 55.803 -0.148 0.000 0.826 1067 Q CB -0.300 28.312 28.738 -0.211 0.000 0.894 1067 Q HN 0.779 nan 8.270 nan 0.000 0.439 1068 H N -1.269 117.790 119.070 -0.019 0.000 2.265 1068 H HA -0.083 4.473 4.556 -0.000 0.000 0.295 1068 H C 0.683 175.997 175.328 -0.023 0.000 1.084 1068 H CA 0.964 57.000 56.048 -0.020 0.000 1.261 1068 H CB -0.242 29.505 29.762 -0.024 0.000 1.360 1068 H HN 0.157 nan 8.280 nan 0.000 0.487 1069 V N 2.496 122.461 119.914 0.085 0.000 2.180 1069 V HA 0.254 4.374 4.120 -0.000 0.000 0.238 1069 V C -0.399 175.702 176.094 0.011 0.000 1.337 1069 V CA 0.232 62.549 62.300 0.029 0.000 1.338 1069 V CB -0.961 30.860 31.823 -0.004 0.000 1.431 1069 V HN 0.126 nan 8.190 nan 0.000 0.498 1070 V N 7.234 127.159 119.914 0.020 0.000 3.000 1070 V HA 0.510 4.629 4.120 -0.000 0.000 0.300 1070 V C -0.780 175.322 176.094 0.013 0.000 1.251 1070 V CA -0.804 61.503 62.300 0.012 0.000 0.972 1070 V CB 2.405 34.232 31.823 0.007 0.000 1.065 1070 V HN 0.618 nan 8.190 nan 0.000 0.431 1071 I N 3.603 124.178 120.570 0.009 0.000 2.783 1071 I HA 0.613 4.783 4.170 -0.000 0.000 0.312 1071 I C 1.174 177.294 176.117 0.004 0.000 0.988 1071 I CA -0.076 61.227 61.300 0.006 0.000 1.182 1071 I CB 1.027 39.028 38.000 0.002 0.000 1.368 1071 I HN 0.727 nan 8.210 nan 0.000 0.511 1072 G N 2.468 111.270 108.800 0.002 0.000 2.653 1072 G HA2 0.380 4.340 3.960 -0.000 0.000 0.265 1072 G HA3 0.380 4.340 3.960 -0.000 0.000 0.265 1072 G C -1.314 173.585 174.900 -0.001 0.000 1.237 1072 G CA -0.512 44.589 45.100 0.001 0.000 0.946 1072 G HN 0.538 nan 8.290 nan 0.000 0.522 1073 P HA -0.127 nan 4.420 nan 0.000 0.203 1073 P C 0.717 178.014 177.300 -0.005 0.000 1.002 1073 P CA 1.452 64.550 63.100 -0.003 0.000 0.964 1073 P CB -0.324 31.374 31.700 -0.003 0.000 0.727 1074 S N -0.788 114.908 115.700 -0.006 0.000 2.434 1074 S HA 0.464 4.933 4.470 -0.000 0.000 0.318 1074 S C 0.308 174.902 174.600 -0.011 0.000 1.062 1074 S CA -0.085 58.109 58.200 -0.009 0.000 1.116 1074 S CB 0.273 63.468 63.200 -0.008 0.000 0.977 1074 S HN 0.495 nan 8.310 nan 0.000 0.480 1075 S N 2.584 118.276 115.700 -0.014 0.000 2.586 1075 S HA 0.408 4.878 4.470 -0.000 0.000 0.218 1075 S C -0.799 173.788 174.600 -0.022 0.000 0.761 1075 S CA -0.520 57.671 58.200 -0.015 0.000 0.999 1075 S CB -0.574 62.620 63.200 -0.010 0.000 1.634 1075 S HN 0.763 nan 8.310 nan 0.000 0.482 1076 L N 0.918 122.122 121.223 -0.032 0.000 2.672 1076 L HA 0.770 5.110 4.340 -0.000 0.000 0.256 1076 L C -2.323 174.498 176.870 -0.082 0.000 0.946 1076 L CA -0.456 54.353 54.840 -0.051 0.000 0.889 1076 L CB 1.839 43.873 42.059 -0.041 0.000 1.441 1076 L HN 0.423 nan 8.230 nan 0.000 0.418 1077 I N 4.043 124.527 120.570 -0.144 0.000 2.563 1077 I HA 0.435 4.604 4.170 -0.000 0.000 0.285 1077 I C -1.122 174.698 176.117 -0.495 0.000 1.123 1077 I CA -0.665 60.488 61.300 -0.246 0.000 1.059 1077 I CB 1.945 39.825 38.000 -0.198 0.000 1.229 1077 I HN 0.157 nan 8.210 nan 0.000 0.442 1078 V N 5.392 125.027 119.914 -0.465 0.000 2.275 1078 V HA 0.298 4.418 4.120 -0.000 0.000 0.272 1078 V C -0.308 175.273 176.094 -0.855 0.000 1.028 1078 V CA -0.583 61.338 62.300 -0.632 0.000 0.810 1078 V CB 0.281 31.840 31.823 -0.440 0.000 1.043 1078 V HN 0.639 nan 8.190 nan 0.000 0.453 1079 H N 3.922 122.758 119.070 -0.389 0.000 2.652 1079 H HA 0.396 4.951 4.556 -0.000 0.000 0.349 1079 H C -0.106 174.916 175.328 -0.511 0.000 1.099 1079 H CA -0.761 55.104 56.048 -0.304 0.000 1.417 1079 H CB 0.462 30.169 29.762 -0.090 0.000 1.457 1079 H HN 0.505 nan 8.280 nan 0.000 0.568 1080 F N 0.125 120.094 119.950 0.031 0.000 2.724 1080 F HA 0.083 4.610 4.527 -0.000 0.000 0.306 1080 F C 1.333 177.156 175.800 0.038 0.000 1.100 1080 F CA -0.404 57.550 58.000 -0.077 0.000 1.255 1080 F CB -0.003 38.851 39.000 -0.243 0.000 1.072 1080 F HN 0.474 nan 8.300 nan 0.000 0.589 1081 N N 0.753 119.578 118.700 0.208 0.000 2.331 1081 N HA -0.110 4.630 4.740 -0.000 0.000 0.180 1081 N C -0.132 175.437 175.510 0.099 0.000 1.019 1081 N CA 0.588 53.718 53.050 0.134 0.000 0.881 1081 N CB -0.574 37.973 38.487 0.100 0.000 0.972 1081 N HN 0.249 nan 8.380 nan 0.000 0.435 1082 E N 0.597 120.858 120.200 0.101 0.000 2.055 1082 E HA 0.288 4.638 4.350 -0.000 0.000 0.274 1082 E C -0.971 175.646 176.600 0.028 0.000 0.949 1082 E CA -0.644 55.771 56.400 0.025 0.000 0.775 1082 E CB 1.940 31.697 29.700 0.095 0.000 1.097 1082 E HN 0.124 nan 8.360 nan 0.000 0.404 1083 V N 4.295 124.192 119.914 -0.029 0.000 2.357 1083 V HA 0.312 4.431 4.120 -0.000 0.000 0.284 1083 V C 0.694 176.719 176.094 -0.115 0.000 1.018 1083 V CA -0.269 62.065 62.300 0.056 0.000 0.841 1083 V CB 0.872 32.784 31.823 0.148 0.000 0.991 1083 V HN 0.897 nan 8.190 nan 0.000 0.437 1084 I N 4.732 125.261 120.570 -0.069 0.000 2.614 1084 I HA 0.170 4.340 4.170 -0.000 0.000 0.258 1084 I C 1.384 177.513 176.117 0.020 0.000 1.189 1084 I CA 1.743 63.042 61.300 -0.001 0.000 1.462 1084 I CB -0.013 38.083 38.000 0.159 0.000 1.092 1084 I HN 1.017 nan 8.210 nan 0.000 0.442 1085 G N -0.028 108.759 108.800 -0.021 0.000 2.563 1085 G HA2 0.289 4.249 3.960 -0.000 0.000 0.068 1085 G HA3 0.289 4.249 3.960 -0.000 0.000 0.068 1085 G C -0.697 174.180 174.900 -0.038 0.000 1.001 1085 G CA -0.715 44.380 45.100 -0.008 0.000 1.188 1085 G HN 0.075 nan 8.290 nan 0.000 0.512 1086 R N -0.141 120.342 120.500 -0.030 0.000 2.904 1086 R HA 0.256 4.596 4.340 -0.000 0.000 0.288 1086 R C 0.695 177.001 176.300 0.009 0.000 0.841 1086 R CA 0.395 56.478 56.100 -0.028 0.000 0.888 1086 R CB 0.173 30.468 30.300 -0.008 0.000 1.448 1086 R HN 0.961 nan 8.270 nan 0.000 0.352 1087 G N 0.583 109.413 108.800 0.050 0.000 2.605 1087 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.215 1087 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.215 1087 G C 0.757 175.760 174.900 0.172 0.000 1.279 1087 G CA 1.417 46.583 45.100 0.109 0.000 0.831 1087 G HN 0.626 nan 8.290 nan 0.000 0.560 1088 H N -3.289 115.848 119.070 0.111 0.000 2.098 1088 H HA 0.002 4.558 4.556 -0.001 0.000 0.119 1088 H C -0.284 175.181 175.328 0.229 0.000 1.238 1088 H CA 0.123 56.252 56.048 0.134 0.000 0.999 1088 H CB -0.197 29.642 29.762 0.128 0.000 0.540 1088 H HN 0.212 nan 8.280 nan 0.000 0.222 1089 F N 2.538 122.655 119.950 0.278 0.000 2.764 1089 F HA 0.634 5.160 4.527 -0.000 0.000 0.310 1089 F C 0.175 176.064 175.800 0.148 0.000 1.124 1089 F CA 0.318 58.426 58.000 0.179 0.000 1.252 1089 F CB 0.332 39.407 39.000 0.124 0.000 1.010 1089 F HN 0.219 nan 8.300 nan 0.000 0.518 1090 G N 0.391 109.319 108.800 0.212 0.000 2.461 1090 G HA2 0.441 4.401 3.960 -0.000 0.000 0.323 1090 G HA3 0.441 4.401 3.960 -0.000 0.000 0.323 1090 G C -1.021 173.919 174.900 0.066 0.000 1.229 1090 G CA -0.500 44.660 45.100 0.100 0.000 0.941 1090 G HN 0.250 nan 8.290 nan 0.000 0.477 1091 C N 2.791 122.129 119.300 0.065 0.000 2.210 1091 C HA 0.384 4.843 4.460 -0.000 0.000 0.377 1091 C C 0.738 175.657 174.990 -0.119 0.000 1.037 1091 C CA -1.163 57.887 59.018 0.053 0.000 1.405 1091 C CB -1.752 26.149 27.740 0.268 0.000 1.802 1091 C HN 0.489 nan 8.230 nan 0.000 0.495 1092 V N 1.907 121.557 119.914 -0.440 0.000 2.259 1092 V HA 0.515 4.634 4.120 -0.000 0.000 0.267 1092 V C -0.717 175.070 176.094 -0.511 0.000 1.051 1092 V CA -0.458 61.663 62.300 -0.298 0.000 0.830 1092 V CB -1.061 30.706 31.823 -0.093 0.000 1.080 1092 V HN 0.696 nan 8.190 nan 0.000 0.467 1093 Y N 0.668 121.027 120.300 0.098 0.000 2.605 1093 Y HA 0.546 5.095 4.550 -0.000 0.000 0.343 1093 Y C 0.617 176.600 175.900 0.138 0.000 1.036 1093 Y CA -1.127 57.012 58.100 0.066 0.000 1.065 1093 Y CB 1.299 39.742 38.460 -0.028 0.000 1.288 1093 Y HN 0.485 nan 8.280 nan 0.000 0.481 1094 H N -0.344 118.860 119.070 0.223 0.000 2.836 1094 H HA 0.462 5.018 4.556 -0.000 0.000 0.368 1094 H C -0.037 175.417 175.328 0.210 0.000 1.164 1094 H CA 0.291 56.455 56.048 0.193 0.000 1.425 1094 H CB 0.745 30.582 29.762 0.124 0.000 1.414 1094 H HN 0.867 nan 8.280 nan 0.000 0.614 1095 G N 0.730 109.711 108.800 0.303 0.000 2.746 1095 G HA2 0.309 4.269 3.960 -0.000 0.000 0.297 1095 G HA3 0.309 4.269 3.960 -0.000 0.000 0.297 1095 G C -1.271 173.708 174.900 0.131 0.000 1.426 1095 G CA -0.534 44.642 45.100 0.126 0.000 0.989 1095 G HN 0.506 nan 8.290 nan 0.000 0.520 1096 T N 1.142 115.694 114.554 -0.003 0.000 2.807 1096 T HA 0.608 4.958 4.350 -0.000 0.000 0.279 1096 T C -0.805 173.872 174.700 -0.038 0.000 0.993 1096 T CA -0.286 61.814 62.100 0.000 0.000 0.970 1096 T CB 1.542 70.442 68.868 0.054 0.000 0.950 1096 T HN 0.458 nan 8.240 nan 0.000 0.441 1097 L N 4.119 125.336 121.223 -0.010 0.000 2.365 1097 L HA 0.573 4.913 4.340 -0.000 0.000 0.273 1097 L C -1.360 175.502 176.870 -0.012 0.000 1.000 1097 L CA -0.857 53.975 54.840 -0.013 0.000 0.819 1097 L CB 1.370 43.431 42.059 0.002 0.000 1.284 1097 L HN 0.422 nan 8.230 nan 0.000 0.418 1098 L N 3.804 125.018 121.223 -0.016 0.000 2.314 1098 L HA 0.326 4.666 4.340 -0.000 0.000 0.275 1098 L C -0.455 176.409 176.870 -0.010 0.000 1.068 1098 L CA -0.321 54.511 54.840 -0.014 0.000 0.894 1098 L CB 0.078 42.128 42.059 -0.016 0.000 1.275 1098 L HN 0.585 nan 8.230 nan 0.000 0.432 1099 D N 2.859 123.255 120.400 -0.008 0.000 2.352 1099 D HA 0.088 4.728 4.640 -0.000 0.000 0.245 1099 D C 1.280 177.575 176.300 -0.008 0.000 1.224 1099 D CA 0.386 54.382 54.000 -0.007 0.000 0.879 1099 D CB 0.582 41.378 40.800 -0.006 0.000 1.057 1099 D HN 0.554 nan 8.370 nan 0.000 0.491 1100 N N 3.881 122.577 118.700 -0.008 0.000 3.420 1100 N HA -0.367 4.373 4.740 -0.000 0.000 0.193 1100 N C -0.522 174.984 175.510 -0.008 0.000 0.182 1100 N CA 2.796 55.842 53.050 -0.007 0.000 2.553 1100 N CB -0.762 37.720 38.487 -0.008 0.000 1.210 1100 N HN 0.781 nan 8.380 nan 0.000 0.390 1101 D N -4.443 115.953 120.400 -0.008 0.000 3.064 1101 D HA 0.409 5.049 4.640 -0.000 0.000 0.288 1101 D C 0.508 176.803 176.300 -0.008 0.000 1.140 1101 D CA 0.987 54.983 54.000 -0.008 0.000 0.725 1101 D CB -0.025 40.770 40.800 -0.007 0.000 1.295 1101 D HN 1.088 nan 8.370 nan 0.000 0.448 1102 G N 0.213 109.008 108.800 -0.008 0.000 2.200 1102 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.267 1102 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.267 1102 G C -0.290 174.605 174.900 -0.008 0.000 0.993 1102 G CA 1.164 46.259 45.100 -0.008 0.000 0.701 1102 G HN 0.559 nan 8.290 nan 0.000 0.524 1103 K N -0.231 120.164 120.400 -0.009 0.000 2.535 1103 K HA 0.401 4.721 4.320 -0.000 0.000 0.250 1103 K C -0.570 176.025 176.600 -0.008 0.000 0.948 1103 K CA -0.878 55.404 56.287 -0.008 0.000 0.796 1103 K CB 1.971 34.466 32.500 -0.008 0.000 1.216 1103 K HN 0.365 nan 8.250 nan 0.000 0.432 1104 K N 2.710 123.106 120.400 -0.007 0.000 2.464 1104 K HA 0.352 4.672 4.320 -0.000 0.000 0.252 1104 K C 0.175 176.777 176.600 0.003 0.000 1.000 1104 K CA -0.757 55.525 56.287 -0.009 0.000 0.951 1104 K CB 0.633 33.123 32.500 -0.017 0.000 1.183 1104 K HN 0.508 nan 8.250 nan 0.000 0.445 1105 I N 0.696 121.272 120.570 0.010 0.000 2.336 1105 I HA 0.347 4.516 4.170 -0.000 0.000 0.292 1105 I C -0.999 175.162 176.117 0.074 0.000 0.991 1105 I CA -0.506 60.814 61.300 0.034 0.000 1.227 1105 I CB 1.022 39.035 38.000 0.022 0.000 1.366 1105 I HN 0.836 nan 8.210 nan 0.000 0.466 1106 H N 6.651 125.696 119.070 -0.042 0.000 2.458 1106 H HA 0.654 5.210 4.556 -0.000 0.000 0.330 1106 H C -0.645 174.673 175.328 -0.017 0.000 1.111 1106 H CA -0.485 55.512 56.048 -0.084 0.000 1.245 1106 H CB 1.628 31.288 29.762 -0.170 0.000 1.456 1106 H HN 1.024 nan 8.280 nan 0.000 0.488 1107 C N 2.507 121.942 119.300 0.225 0.000 3.340 1107 C HA 0.862 5.321 4.460 -0.000 0.000 0.333 1107 C C -0.386 174.682 174.990 0.129 0.000 1.464 1107 C CA -0.937 58.142 59.018 0.101 0.000 1.337 1107 C CB 0.725 28.510 27.740 0.075 0.000 1.740 1107 C HN 0.935 nan 8.230 nan 0.000 0.450 1108 A N 0.409 123.308 122.820 0.131 0.000 2.292 1108 A HA 0.711 5.031 4.320 -0.000 0.000 0.319 1108 A C -0.702 176.947 177.584 0.109 0.000 1.206 1108 A CA -0.371 51.761 52.037 0.159 0.000 0.835 1108 A CB 0.580 19.656 19.000 0.127 0.000 1.164 1108 A HN 1.174 nan 8.150 nan 0.000 0.505 1109 V N 3.624 123.618 119.914 0.133 0.000 2.398 1109 V HA 0.406 4.526 4.120 -0.000 0.000 0.286 1109 V C 0.015 176.199 176.094 0.150 0.000 1.026 1109 V CA -0.318 62.053 62.300 0.118 0.000 0.868 1109 V CB 1.484 33.357 31.823 0.083 0.000 0.982 1109 V HN 0.842 nan 8.190 nan 0.000 0.443 1110 K N 3.772 124.257 120.400 0.142 0.000 2.895 1110 K HA 0.316 4.636 4.320 -0.000 0.000 0.191 1110 K C -0.681 176.081 176.600 0.269 0.000 1.117 1110 K CA -0.148 56.250 56.287 0.185 0.000 0.988 1110 K CB 1.548 34.133 32.500 0.141 0.000 1.181 1110 K HN 0.746 nan 8.250 nan 0.000 0.598 1111 S N 1.309 117.125 115.700 0.193 0.000 2.473 1111 S HA 0.514 4.984 4.470 -0.000 0.000 0.307 1111 S C -0.037 174.523 174.600 -0.068 0.000 1.094 1111 S CA -0.915 57.353 58.200 0.113 0.000 1.070 1111 S CB 1.845 65.104 63.200 0.098 0.000 1.019 1111 S HN 0.319 nan 8.310 nan 0.000 0.480 1112 L N 2.769 123.736 121.223 -0.426 0.000 2.399 1112 L HA 0.373 4.712 4.340 -0.000 0.000 0.266 1112 L C 0.435 177.183 176.870 -0.204 0.000 1.114 1112 L CA -0.919 53.658 54.840 -0.437 0.000 0.804 1112 L CB 0.547 42.072 42.059 -0.890 0.000 1.146 1112 L HN 0.724 nan 8.230 nan 0.000 0.451 1113 N N 1.560 120.206 118.700 -0.089 0.000 2.072 1113 N HA -0.200 4.540 4.740 -0.000 0.000 0.227 1113 N C 0.557 176.043 175.510 -0.041 0.000 1.283 1113 N CA 0.406 53.437 53.050 -0.031 0.000 0.868 1113 N CB 0.197 38.691 38.487 0.011 0.000 1.049 1113 N HN 0.560 nan 8.380 nan 0.000 0.460 1114 R N 0.132 120.619 120.500 -0.022 0.000 2.013 1114 R HA 0.208 4.547 4.340 -0.000 0.000 0.201 1114 R C 1.366 177.659 176.300 -0.011 0.000 1.312 1114 R CA 0.029 56.119 56.100 -0.018 0.000 1.076 1114 R CB -0.390 29.901 30.300 -0.015 0.000 0.817 1114 R HN 0.610 nan 8.270 nan 0.000 0.494 1115 I N 3.016 123.582 120.570 -0.007 0.000 3.496 1115 I HA -0.103 4.067 4.170 -0.000 0.000 0.301 1115 I C 1.174 177.294 176.117 0.005 0.000 1.217 1115 I CA 0.830 62.129 61.300 -0.001 0.000 1.258 1115 I CB -0.773 37.225 38.000 -0.003 0.000 1.047 1115 I HN 0.680 nan 8.210 nan 0.000 0.502 1116 T N 0.137 114.697 114.554 0.009 0.000 2.699 1116 T HA -0.214 4.136 4.350 -0.000 0.000 0.268 1116 T C 1.001 175.719 174.700 0.029 0.000 1.036 1116 T CA 2.543 64.659 62.100 0.027 0.000 1.147 1116 T CB 0.243 69.138 68.868 0.046 0.000 0.862 1116 T HN 0.732 nan 8.240 nan 0.000 0.446 1117 D N -2.271 118.144 120.400 0.025 0.000 5.473 1117 D HA 0.170 4.809 4.640 -0.000 0.000 0.345 1117 D C -0.235 176.079 176.300 0.024 0.000 1.919 1117 D CA 0.097 54.112 54.000 0.025 0.000 1.003 1117 D CB -0.625 40.196 40.800 0.035 0.000 1.827 1117 D HN 0.174 nan 8.370 nan 0.000 0.679 1118 I N -0.905 119.684 120.570 0.032 0.000 5.390 1118 I HA 0.327 4.497 4.170 -0.000 0.000 0.377 1118 I C 1.437 177.577 176.117 0.039 0.000 1.000 1118 I CA 1.386 62.704 61.300 0.030 0.000 1.665 1118 I CB 0.054 38.067 38.000 0.021 0.000 2.407 1118 I HN 0.454 nan 8.210 nan 0.000 0.791 1119 G N 0.057 108.882 108.800 0.042 0.000 2.662 1119 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.212 1119 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.212 1119 G C 1.190 176.131 174.900 0.068 0.000 1.141 1119 G CA 0.677 45.806 45.100 0.047 0.000 0.797 1119 G HN 0.244 nan 8.290 nan 0.000 0.531 1120 E N 0.081 120.332 120.200 0.084 0.000 2.415 1120 E HA 0.139 4.488 4.350 -0.000 0.000 0.197 1120 E C 2.377 179.061 176.600 0.140 0.000 1.007 1120 E CA -0.034 56.445 56.400 0.131 0.000 0.890 1120 E CB 0.132 29.927 29.700 0.157 0.000 0.891 1120 E HN 0.140 nan 8.360 nan 0.000 0.496 1121 V N 0.339 120.310 119.914 0.095 0.000 2.488 1121 V HA -0.156 3.963 4.120 -0.000 0.000 0.246 1121 V C 2.372 178.538 176.094 0.120 0.000 1.046 1121 V CA 1.663 64.009 62.300 0.077 0.000 1.053 1121 V CB -0.346 31.500 31.823 0.039 0.000 0.679 1121 V HN 0.364 nan 8.190 nan 0.000 0.458 1122 S N -0.365 115.390 115.700 0.093 0.000 2.348 1122 S HA -0.344 4.126 4.470 -0.000 0.000 0.221 1122 S C 2.046 176.699 174.600 0.088 0.000 1.033 1122 S CA 2.151 60.399 58.200 0.079 0.000 1.010 1122 S CB -0.511 62.720 63.200 0.051 0.000 0.891 1122 S HN 0.626 nan 8.310 nan 0.000 0.442 1123 Q N -1.010 118.846 119.800 0.094 0.000 2.268 1123 Q HA -0.169 4.171 4.340 -0.000 0.000 0.210 1123 Q C 1.706 177.755 176.000 0.082 0.000 0.988 1123 Q CA 1.762 57.612 55.803 0.079 0.000 0.883 1123 Q CB -0.205 28.591 28.738 0.096 0.000 0.911 1123 Q HN 0.772 nan 8.270 nan 0.000 0.430 1124 F N 0.181 120.108 119.950 -0.037 0.000 2.092 1124 F HA -0.084 4.443 4.527 -0.000 0.000 0.286 1124 F C 1.726 177.488 175.800 -0.063 0.000 1.116 1124 F CA 1.000 58.956 58.000 -0.074 0.000 1.185 1124 F CB -0.276 38.664 39.000 -0.100 0.000 1.034 1124 F HN -0.048 nan 8.300 nan 0.000 0.479 1125 L N -0.272 121.070 121.223 0.199 0.000 2.351 1125 L HA -0.205 4.135 4.340 -0.000 0.000 0.220 1125 L C 1.994 178.820 176.870 -0.073 0.000 1.127 1125 L CA 1.351 56.220 54.840 0.049 0.000 0.786 1125 L CB -1.640 40.491 42.059 0.120 0.000 0.914 1125 L HN 0.266 nan 8.230 nan 0.000 0.443 1126 T N -0.807 113.709 114.554 -0.064 0.000 2.896 1126 T HA -0.128 4.221 4.350 -0.000 0.000 0.263 1126 T C 1.833 176.456 174.700 -0.129 0.000 1.050 1126 T CA 1.106 63.162 62.100 -0.074 0.000 1.140 1126 T CB 0.080 68.930 68.868 -0.030 0.000 0.877 1126 T HN 0.360 nan 8.240 nan 0.000 0.457 1127 E N 0.068 120.157 120.200 -0.185 0.000 2.285 1127 E HA 0.045 4.395 4.350 -0.000 0.000 0.194 1127 E C 2.221 178.650 176.600 -0.285 0.000 0.997 1127 E CA 0.459 56.732 56.400 -0.211 0.000 0.845 1127 E CB -0.108 29.466 29.700 -0.210 0.000 0.782 1127 E HN 0.472 nan 8.360 nan 0.000 0.491 1128 G N 0.568 109.154 108.800 -0.356 0.000 2.484 1128 G HA2 -0.142 3.817 3.960 -0.000 0.000 0.218 1128 G HA3 -0.142 3.817 3.960 -0.000 0.000 0.218 1128 G C 1.279 176.024 174.900 -0.259 0.000 1.130 1128 G CA 0.190 45.088 45.100 -0.337 0.000 0.784 1128 G HN 0.142 nan 8.290 nan 0.000 0.543 1129 I N 1.091 121.526 120.570 -0.226 0.000 2.617 1129 I HA 0.089 4.258 4.170 -0.000 0.000 0.256 1129 I C 2.596 178.542 176.117 -0.284 0.000 1.167 1129 I CA -0.419 60.761 61.300 -0.201 0.000 1.469 1129 I CB -0.885 37.031 38.000 -0.139 0.000 1.098 1129 I HN 0.160 nan 8.210 nan 0.000 0.436 1130 I N 0.754 121.121 120.570 -0.338 0.000 2.145 1130 I HA -0.346 3.823 4.170 -0.000 0.000 0.244 1130 I C 2.180 177.677 176.117 -1.033 0.000 1.075 1130 I CA 1.671 62.656 61.300 -0.526 0.000 1.332 1130 I CB -0.311 37.445 38.000 -0.407 0.000 1.033 1130 I HN 0.179 nan 8.210 nan 0.000 0.410 1131 M N 0.162 119.241 119.600 -0.869 0.000 2.748 1131 M HA -0.107 4.373 4.480 -0.000 0.000 0.241 1131 M C 1.924 177.944 176.300 -0.467 0.000 1.080 1131 M CA 0.811 55.599 55.300 -0.853 0.000 1.068 1131 M CB -0.571 31.806 32.600 -0.372 0.000 1.536 1131 M HN 0.152 nan 8.290 nan 0.000 0.540 1132 K N 1.948 122.113 120.400 -0.392 0.000 2.020 1132 K HA -0.175 4.145 4.320 -0.000 0.000 0.212 1132 K C 0.603 177.147 176.600 -0.093 0.000 1.050 1132 K CA 1.740 57.918 56.287 -0.182 0.000 0.929 1132 K CB 0.137 32.558 32.500 -0.131 0.000 0.714 1132 K HN 0.393 nan 8.250 nan 0.000 0.443 1133 D N -0.159 120.196 120.400 -0.075 0.000 2.559 1133 D HA 0.022 4.661 4.640 -0.000 0.000 0.234 1133 D C -0.615 175.897 176.300 0.353 0.000 1.226 1133 D CA -0.129 53.932 54.000 0.103 0.000 0.830 1133 D CB 0.241 41.097 40.800 0.095 0.000 1.028 1133 D HN 0.076 nan 8.370 nan 0.000 0.492 1134 F N 2.528 122.475 119.950 -0.005 0.000 2.541 1134 F HA 0.123 4.649 4.527 -0.000 0.000 0.351 1134 F C 0.727 176.512 175.800 -0.025 0.000 1.209 1134 F CA -1.388 56.628 58.000 0.026 0.000 1.277 1134 F CB -0.151 38.795 39.000 -0.090 0.000 1.632 1134 F HN -0.231 nan 8.300 nan 0.000 0.619 1135 S N 1.741 117.528 115.700 0.145 0.000 2.457 1135 S HA 0.335 4.805 4.470 -0.000 0.000 0.216 1135 S C -0.535 173.857 174.600 -0.347 0.000 1.392 1135 S CA -0.523 57.644 58.200 -0.055 0.000 1.102 1135 S CB 0.610 63.820 63.200 0.016 0.000 1.114 1135 S HN 0.589 nan 8.310 nan 0.000 0.484 1136 H N 2.354 121.069 119.070 -0.590 0.000 2.961 1136 H HA 0.372 4.927 4.556 -0.000 0.000 0.371 1136 H C -2.540 172.564 175.328 -0.373 0.000 1.190 1136 H CA -1.749 53.873 56.048 -0.711 0.000 1.138 1136 H CB 2.604 31.610 29.762 -1.260 0.000 1.816 1136 H HN 0.177 nan 8.280 nan 0.000 0.551 1137 P HA 0.052 nan 4.420 nan 0.000 0.236 1137 P C -0.123 177.095 177.300 -0.137 0.000 1.177 1137 P CA 0.687 63.611 63.100 -0.294 0.000 0.773 1137 P CB 0.432 31.932 31.700 -0.333 0.000 0.878 1138 N N -0.707 118.006 118.700 0.021 0.000 2.275 1138 N HA 0.178 4.918 4.740 -0.000 0.000 0.236 1138 N C -0.803 174.720 175.510 0.022 0.000 1.154 1138 N CA -0.180 52.911 53.050 0.069 0.000 0.866 1138 N CB 0.790 39.361 38.487 0.140 0.000 1.093 1138 N HN -0.099 nan 8.380 nan 0.000 0.515 1139 V N 1.238 121.136 119.914 -0.025 0.000 2.709 1139 V HA 0.329 4.449 4.120 -0.000 0.000 0.308 1139 V C -0.453 175.614 176.094 -0.045 0.000 1.062 1139 V CA -1.005 61.256 62.300 -0.065 0.000 0.901 1139 V CB 2.308 34.036 31.823 -0.158 0.000 1.003 1139 V HN 0.022 nan 8.190 nan 0.000 0.425 1140 L N 3.598 124.808 121.223 -0.021 0.000 2.417 1140 L HA 0.665 5.005 4.340 -0.000 0.000 0.268 1140 L C 0.250 177.130 176.870 0.018 0.000 1.158 1140 L CA 1.215 56.039 54.840 -0.026 0.000 0.819 1140 L CB 1.410 43.438 42.059 -0.052 0.000 1.112 1140 L HN 0.854 nan 8.230 nan 0.000 0.458 1141 S N 3.467 119.159 115.700 -0.014 0.000 2.588 1141 S HA 0.615 5.085 4.470 -0.000 0.000 0.275 1141 S C -1.028 173.543 174.600 -0.049 0.000 1.130 1141 S CA -0.771 57.424 58.200 -0.009 0.000 0.855 1141 S CB 1.655 64.859 63.200 0.006 0.000 1.116 1141 S HN 0.756 nan 8.310 nan 0.000 0.472 1142 L N 0.908 122.090 121.223 -0.069 0.000 2.312 1142 L HA 0.560 4.900 4.340 -0.000 0.000 0.281 1142 L C 0.428 177.268 176.870 -0.050 0.000 1.070 1142 L CA -0.564 54.233 54.840 -0.072 0.000 0.805 1142 L CB 0.250 42.249 42.059 -0.100 0.000 1.174 1142 L HN 0.731 nan 8.230 nan 0.000 0.434 1143 L N 3.486 124.688 121.223 -0.036 0.000 2.156 1143 L HA 0.280 4.620 4.340 -0.000 0.000 0.208 1143 L C 1.207 178.066 176.870 -0.018 0.000 1.095 1143 L CA 1.127 55.953 54.840 -0.023 0.000 0.770 1143 L CB -0.424 41.627 42.059 -0.013 0.000 0.914 1143 L HN 1.054 nan 8.230 nan 0.000 0.439 1144 G N -0.936 107.853 108.800 -0.019 0.000 2.336 1144 G HA2 0.335 4.294 3.960 -0.000 0.000 0.286 1144 G HA3 0.335 4.294 3.960 -0.000 0.000 0.286 1144 G C -1.578 173.318 174.900 -0.006 0.000 1.269 1144 G CA -0.643 44.450 45.100 -0.011 0.000 0.873 1144 G HN -0.106 nan 8.290 nan 0.000 0.494 1145 I N 0.324 120.897 120.570 0.004 0.000 2.628 1145 I HA 0.246 4.416 4.170 -0.000 0.000 0.271 1145 I C -0.636 175.492 176.117 0.019 0.000 1.237 1145 I CA -0.433 60.877 61.300 0.018 0.000 1.036 1145 I CB 1.699 39.707 38.000 0.013 0.000 1.285 1145 I HN 0.581 nan 8.210 nan 0.000 0.500 1146 C N 7.339 126.651 119.300 0.020 0.000 2.322 1146 C HA 0.505 4.964 4.460 -0.000 0.000 0.343 1146 C C 0.187 175.188 174.990 0.019 0.000 1.190 1146 C CA -0.467 58.560 59.018 0.015 0.000 1.704 1146 C CB -0.902 26.843 27.740 0.009 0.000 2.293 1146 C HN 0.457 nan 8.230 nan 0.000 0.523 1147 L N 7.739 128.971 121.223 0.015 0.000 2.283 1147 L HA 0.447 4.787 4.340 -0.000 0.000 0.287 1147 L C 0.886 177.762 176.870 0.009 0.000 1.073 1147 L CA 0.418 55.267 54.840 0.015 0.000 0.822 1147 L CB -0.204 41.863 42.059 0.013 0.000 1.186 1147 L HN 0.572 nan 8.230 nan 0.000 0.436 1148 R N 1.304 121.810 120.500 0.010 0.000 2.774 1148 R HA 0.212 4.552 4.340 -0.000 0.000 0.269 1148 R C 0.939 177.241 176.300 0.003 0.000 1.068 1148 R CA -0.328 55.775 56.100 0.006 0.000 1.180 1148 R CB 0.474 30.778 30.300 0.007 0.000 1.077 1148 R HN 0.622 nan 8.270 nan 0.000 0.513 1149 S N 0.480 116.181 115.700 0.001 0.000 2.371 1149 S HA -0.073 4.397 4.470 -0.000 0.000 0.219 1149 S C 0.555 175.154 174.600 -0.002 0.000 1.040 1149 S CA 0.947 59.146 58.200 -0.001 0.000 0.958 1149 S CB 0.155 63.354 63.200 -0.001 0.000 0.860 1149 S HN 0.483 nan 8.310 nan 0.000 0.487 1150 E N 0.191 120.390 120.200 -0.002 0.000 3.312 1150 E HA 0.483 4.833 4.350 -0.000 0.000 0.215 1150 E C 0.135 176.732 176.600 -0.004 0.000 1.160 1150 E CA -0.162 56.235 56.400 -0.004 0.000 1.267 1150 E CB 0.211 29.907 29.700 -0.006 0.000 1.361 1150 E HN 0.379 nan 8.360 nan 0.000 0.433 1151 G N -0.765 108.033 108.800 -0.003 0.000 3.962 1151 G HA2 0.269 4.229 3.960 -0.000 0.000 0.147 1151 G HA3 0.269 4.229 3.960 -0.000 0.000 0.147 1151 G C -0.080 174.820 174.900 0.001 0.000 1.294 1151 G CA 0.367 45.467 45.100 -0.000 0.000 1.011 1151 G HN 0.358 nan 8.290 nan 0.000 0.432 1152 S N -0.670 115.033 115.700 0.005 0.000 2.719 1152 S HA 0.457 4.927 4.470 -0.000 0.000 0.272 1152 S C -3.287 171.319 174.600 0.011 0.000 0.964 1152 S CA -0.502 57.699 58.200 0.002 0.000 0.944 1152 S CB 1.143 64.341 63.200 -0.003 0.000 1.199 1152 S HN 0.145 nan 8.310 nan 0.000 0.461 1153 P HA 0.506 nan 4.420 nan 0.000 0.279 1153 P C -0.750 176.579 177.300 0.049 0.000 1.239 1153 P CA -0.309 62.809 63.100 0.029 0.000 0.789 1153 P CB 0.486 32.208 31.700 0.037 0.000 0.933 1154 L N 2.006 123.262 121.223 0.057 0.000 2.544 1154 L HA 0.702 5.041 4.340 -0.000 0.000 0.256 1154 L C -0.089 176.845 176.870 0.105 0.000 1.097 1154 L CA -0.919 53.965 54.840 0.073 0.000 0.812 1154 L CB 0.957 43.042 42.059 0.045 0.000 1.440 1154 L HN 0.063 nan 8.230 nan 0.000 0.496 1155 V N -0.221 119.753 119.914 0.100 0.000 3.147 1155 V HA 0.534 4.653 4.120 -0.000 0.000 0.299 1155 V C -1.362 174.762 176.094 0.050 0.000 1.302 1155 V CA -0.612 61.738 62.300 0.083 0.000 1.015 1155 V CB 2.686 34.601 31.823 0.152 0.000 1.086 1155 V HN 0.419 nan 8.190 nan 0.000 0.437 1156 V N 2.734 122.657 119.914 0.015 0.000 2.752 1156 V HA 0.669 4.789 4.120 -0.000 0.000 0.302 1156 V C -1.181 174.905 176.094 -0.013 0.000 1.133 1156 V CA -0.638 61.669 62.300 0.010 0.000 0.919 1156 V CB 1.698 33.527 31.823 0.010 0.000 1.026 1156 V HN 0.649 nan 8.190 nan 0.000 0.429 1157 L N 5.381 126.599 121.223 -0.008 0.000 2.385 1157 L HA 0.639 4.979 4.340 -0.000 0.000 0.273 1157 L C -2.417 174.444 176.870 -0.015 0.000 0.990 1157 L CA -1.898 52.922 54.840 -0.032 0.000 0.821 1157 L CB 2.942 44.964 42.059 -0.063 0.000 1.279 1157 L HN 0.408 nan 8.230 nan 0.000 0.412 1158 P HA -0.137 nan 4.420 nan 0.000 0.265 1158 P C -1.015 176.267 177.300 -0.029 0.000 1.187 1158 P CA 0.051 63.138 63.100 -0.022 0.000 0.766 1158 P CB 0.364 32.036 31.700 -0.046 0.000 0.820 1159 Y N 3.949 124.142 120.300 -0.179 0.000 2.526 1159 Y HA 0.117 4.666 4.550 -0.000 0.000 0.330 1159 Y C 0.424 176.192 175.900 -0.220 0.000 1.156 1159 Y CA 0.211 58.150 58.100 -0.269 0.000 1.419 1159 Y CB 0.342 38.448 38.460 -0.591 0.000 1.250 1159 Y HN 0.222 nan 8.280 nan 0.000 0.540 1160 M N 7.376 126.464 119.600 -0.853 0.000 2.066 1160 M HA 0.179 4.658 4.480 -0.000 0.000 0.340 1160 M C 0.996 176.721 176.300 -0.957 0.000 1.053 1160 M CA -0.499 54.402 55.300 -0.664 0.000 0.983 1160 M CB 1.501 33.860 32.600 -0.401 0.000 1.520 1160 M HN 0.778 nan 8.290 nan 0.000 0.428 1161 K N 2.276 122.253 120.400 -0.706 0.000 2.074 1161 K HA -0.173 4.147 4.320 -0.000 0.000 0.209 1161 K C 1.220 177.502 176.600 -0.530 0.000 1.048 1161 K CA 1.762 57.697 56.287 -0.586 0.000 0.926 1161 K CB 0.211 32.397 32.500 -0.524 0.000 0.713 1161 K HN 0.618 nan 8.250 nan 0.000 0.444 1162 H N -0.758 118.159 119.070 -0.255 0.000 2.539 1162 H HA 0.171 4.727 4.556 -0.000 0.000 0.269 1162 H C 1.248 176.534 175.328 -0.070 0.000 0.980 1162 H CA 0.593 56.560 56.048 -0.135 0.000 1.152 1162 H CB 0.428 30.009 29.762 -0.301 0.000 1.407 1162 H HN 0.500 nan 8.280 nan 0.000 0.564 1163 G N 1.957 110.718 108.800 -0.065 0.000 2.550 1163 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.277 1163 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.277 1163 G C -0.180 174.746 174.900 0.043 0.000 1.190 1163 G CA 0.202 45.303 45.100 0.002 0.000 0.971 1163 G HN 0.558 nan 8.290 nan 0.000 0.559 1164 D N 0.349 120.817 120.400 0.114 0.000 2.308 1164 D HA 0.467 5.107 4.640 -0.000 0.000 0.251 1164 D C 1.499 177.858 176.300 0.100 0.000 1.127 1164 D CA -0.189 53.883 54.000 0.120 0.000 0.876 1164 D CB 1.314 42.193 40.800 0.133 0.000 1.176 1164 D HN 0.630 nan 8.370 nan 0.000 0.446 1165 L N 3.168 124.420 121.223 0.047 0.000 2.081 1165 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 1165 L C 2.323 179.262 176.870 0.116 0.000 1.080 1165 L CA 1.873 56.725 54.840 0.021 0.000 0.754 1165 L CB -0.663 41.364 42.059 -0.053 0.000 0.893 1165 L HN 0.713 nan 8.230 nan 0.000 0.433 1166 R N -0.830 119.736 120.500 0.109 0.000 2.073 1166 R HA -0.170 4.169 4.340 -0.000 0.000 0.234 1166 R C 2.035 178.412 176.300 0.127 0.000 1.134 1166 R CA 1.751 57.922 56.100 0.119 0.000 0.952 1166 R CB -0.274 30.087 30.300 0.101 0.000 0.850 1166 R HN 0.414 nan 8.270 nan 0.000 0.433 1167 N N -0.076 118.702 118.700 0.130 0.000 2.244 1167 N HA -0.159 4.580 4.740 -0.000 0.000 0.183 1167 N C 1.356 176.973 175.510 0.178 0.000 1.016 1167 N CA 0.996 54.122 53.050 0.127 0.000 0.866 1167 N CB -0.319 38.235 38.487 0.112 0.000 0.980 1167 N HN 0.203 nan 8.380 nan 0.000 0.430 1168 F N 2.177 122.193 119.950 0.110 0.000 2.146 1168 F HA -0.040 4.487 4.527 -0.000 0.000 0.298 1168 F C 2.081 178.024 175.800 0.239 0.000 1.096 1168 F CA 0.936 59.053 58.000 0.195 0.000 1.275 1168 F CB -0.264 38.799 39.000 0.105 0.000 1.008 1168 F HN 0.005 nan 8.300 nan 0.000 0.480 1169 I N -1.598 119.091 120.570 0.198 0.000 2.546 1169 I HA -0.104 4.066 4.170 -0.000 0.000 0.255 1169 I C 2.115 178.244 176.117 0.020 0.000 1.163 1169 I CA 1.132 62.501 61.300 0.114 0.000 1.457 1169 I CB -0.609 37.500 38.000 0.182 0.000 1.092 1169 I HN 0.013 nan 8.210 nan 0.000 0.434 1170 R N 1.237 121.746 120.500 0.015 0.000 2.193 1170 R HA 0.065 4.405 4.340 -0.000 0.000 0.213 1170 R C 0.806 177.054 176.300 -0.086 0.000 1.055 1170 R CA 0.063 56.155 56.100 -0.014 0.000 0.995 1170 R CB -0.323 29.986 30.300 0.015 0.000 0.893 1170 R HN 0.354 nan 8.270 nan 0.000 0.459 1171 N N 2.168 120.754 118.700 -0.190 0.000 2.440 1171 N HA -0.090 4.650 4.740 -0.000 0.000 0.265 1171 N C 0.323 175.621 175.510 -0.353 0.000 1.239 1171 N CA 0.358 53.188 53.050 -0.368 0.000 0.909 1171 N CB 0.911 38.931 38.487 -0.779 0.000 1.066 1171 N HN 0.265 nan 8.380 nan 0.000 0.474 1172 E N 0.793 120.861 120.200 -0.221 0.000 2.347 1172 E HA -0.108 4.242 4.350 -0.000 0.000 0.196 1172 E C 0.950 177.471 176.600 -0.131 0.000 1.008 1172 E CA 1.038 57.359 56.400 -0.132 0.000 0.852 1172 E CB -0.265 29.390 29.700 -0.075 0.000 0.783 1172 E HN 0.698 nan 8.360 nan 0.000 0.505 1173 T N -1.558 112.869 114.554 -0.211 0.000 3.148 1173 T HA -0.010 4.340 4.350 -0.000 0.000 0.253 1173 T C 0.318 175.030 174.700 0.019 0.000 1.134 1173 T CA 0.058 62.096 62.100 -0.104 0.000 1.051 1173 T CB -0.490 68.332 68.868 -0.076 0.000 0.959 1173 T HN 0.257 nan 8.240 nan 0.000 0.525 1174 H N 0.880 119.881 119.070 -0.116 0.000 2.533 1174 H HA 0.515 5.071 4.556 -0.000 0.000 0.343 1174 H C -0.137 175.133 175.328 -0.097 0.000 1.160 1174 H CA -1.323 54.630 56.048 -0.159 0.000 1.218 1174 H CB 0.939 30.474 29.762 -0.378 0.000 1.566 1174 H HN 0.089 nan 8.280 nan 0.000 0.522 1175 N N 3.041 121.786 118.700 0.074 0.000 2.752 1175 N HA 0.127 4.867 4.740 -0.000 0.000 0.260 1175 N C -2.838 172.714 175.510 0.070 0.000 1.562 1175 N CA -1.034 52.071 53.050 0.092 0.000 0.788 1175 N CB 1.697 40.264 38.487 0.133 0.000 1.192 1175 N HN 0.481 nan 8.380 nan 0.000 0.503 1176 P HA 0.148 nan 4.420 nan 0.000 0.277 1176 P C 0.262 177.435 177.300 -0.212 0.000 1.240 1176 P CA 0.077 63.114 63.100 -0.106 0.000 0.798 1176 P CB 1.122 32.793 31.700 -0.048 0.000 0.979 1177 T N -2.365 111.994 114.554 -0.325 0.000 2.922 1177 T HA 0.249 4.599 4.350 -0.000 0.000 0.281 1177 T C 1.371 175.877 174.700 -0.325 0.000 1.005 1177 T CA -0.694 61.154 62.100 -0.421 0.000 0.982 1177 T CB 0.124 68.671 68.868 -0.535 0.000 1.158 1177 T HN 0.021 nan 8.240 nan 0.000 0.566 1178 V N 0.918 120.650 119.914 -0.303 0.000 2.392 1178 V HA -0.120 3.999 4.120 -0.000 0.000 0.249 1178 V C 2.856 178.707 176.094 -0.405 0.000 1.059 1178 V CA 1.886 63.986 62.300 -0.333 0.000 1.051 1178 V CB -0.855 30.741 31.823 -0.379 0.000 0.658 1178 V HN 0.890 nan 8.190 nan 0.000 0.455 1179 K N -0.475 119.695 120.400 -0.383 0.000 2.057 1179 K HA -0.181 4.139 4.320 -0.000 0.000 0.206 1179 K C 1.958 178.446 176.600 -0.186 0.000 1.050 1179 K CA 1.518 57.630 56.287 -0.292 0.000 0.935 1179 K CB -0.223 32.115 32.500 -0.270 0.000 0.715 1179 K HN 0.442 nan 8.250 nan 0.000 0.439 1180 D N 1.059 121.278 120.400 -0.303 0.000 2.106 1180 D HA -0.191 4.449 4.640 -0.000 0.000 0.191 1180 D C 2.031 177.913 176.300 -0.697 0.000 0.997 1180 D CA 1.230 54.934 54.000 -0.494 0.000 0.834 1180 D CB -0.222 40.291 40.800 -0.478 0.000 0.956 1180 D HN 0.173 nan 8.370 nan 0.000 0.448 1181 L N 0.585 121.550 121.223 -0.430 0.000 2.017 1181 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 1181 L C 2.650 179.450 176.870 -0.116 0.000 1.073 1181 L CA 0.684 55.381 54.840 -0.238 0.000 0.745 1181 L CB -0.364 41.635 42.059 -0.100 0.000 0.894 1181 L HN 0.022 nan 8.230 nan 0.000 0.432 1182 I N 0.120 120.626 120.570 -0.108 0.000 2.335 1182 I HA -0.232 3.938 4.170 -0.000 0.000 0.251 1182 I C 2.525 178.659 176.117 0.028 0.000 1.129 1182 I CA 1.449 62.747 61.300 -0.003 0.000 1.402 1182 I CB -0.862 37.146 38.000 0.013 0.000 1.069 1182 I HN 0.327 nan 8.210 nan 0.000 0.424 1183 G N 0.365 109.148 108.800 -0.029 0.000 2.448 1183 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.218 1183 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.218 1183 G C 1.389 176.290 174.900 0.001 0.000 1.135 1183 G CA 0.191 45.206 45.100 -0.142 0.000 0.784 1183 G HN 0.184 nan 8.290 nan 0.000 0.543 1184 F N 1.718 121.676 119.950 0.013 0.000 2.206 1184 F HA 0.131 4.658 4.527 -0.000 0.000 0.298 1184 F C 2.757 178.591 175.800 0.057 0.000 1.090 1184 F CA 0.282 58.300 58.000 0.030 0.000 1.323 1184 F CB -0.972 38.056 39.000 0.046 0.000 1.028 1184 F HN 0.172 nan 8.300 nan 0.000 0.492 1185 G N -0.064 108.883 108.800 0.245 0.000 2.402 1185 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.216 1185 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.216 1185 G C 1.732 176.807 174.900 0.291 0.000 1.162 1185 G CA 0.699 45.937 45.100 0.230 0.000 0.777 1185 G HN 0.292 nan 8.290 nan 0.000 0.539 1186 L N 0.716 122.028 121.223 0.149 0.000 2.042 1186 L HA -0.086 4.254 4.340 -0.000 0.000 0.210 1186 L C 2.854 179.770 176.870 0.076 0.000 1.076 1186 L CA 1.935 56.821 54.840 0.076 0.000 0.749 1186 L CB -0.778 41.210 42.059 -0.119 0.000 0.893 1186 L HN 0.339 nan 8.230 nan 0.000 0.432 1187 Q N -1.300 118.548 119.800 0.081 0.000 2.170 1187 Q HA -0.165 4.175 4.340 -0.000 0.000 0.203 1187 Q C 2.095 178.153 176.000 0.096 0.000 0.976 1187 Q CA 1.742 57.593 55.803 0.080 0.000 0.858 1187 Q CB -0.219 28.578 28.738 0.099 0.000 0.907 1187 Q HN 0.496 nan 8.270 nan 0.000 0.433 1188 V N 0.643 120.656 119.914 0.166 0.000 2.453 1188 V HA -0.176 3.943 4.120 -0.000 0.000 0.247 1188 V C 2.218 178.354 176.094 0.070 0.000 1.048 1188 V CA 1.541 63.946 62.300 0.174 0.000 1.049 1188 V CB -0.814 31.207 31.823 0.330 0.000 0.672 1188 V HN 0.334 nan 8.190 nan 0.000 0.457 1189 A N -0.123 122.738 122.820 0.068 0.000 1.969 1189 A HA -0.183 4.136 4.320 -0.000 0.000 0.218 1189 A C 2.305 179.808 177.584 -0.135 0.000 1.169 1189 A CA 1.628 53.562 52.037 -0.171 0.000 0.635 1189 A CB -0.332 18.582 19.000 -0.143 0.000 0.810 1189 A HN 0.538 nan 8.150 nan 0.000 0.445 1190 K N -0.815 119.552 120.400 -0.055 0.000 2.031 1190 K HA -0.055 4.265 4.320 -0.000 0.000 0.205 1190 K C 2.178 178.663 176.600 -0.193 0.000 1.049 1190 K CA 1.035 57.301 56.287 -0.034 0.000 0.939 1190 K CB -0.410 32.144 32.500 0.089 0.000 0.717 1190 K HN 0.440 nan 8.250 nan 0.000 0.438 1191 G N 1.241 109.929 108.800 -0.186 0.000 2.422 1191 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 1191 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 1191 G C 1.465 176.164 174.900 -0.335 0.000 1.146 1191 G CA 0.597 45.514 45.100 -0.305 0.000 0.769 1191 G HN 0.061 nan 8.290 nan 0.000 0.547 1192 M N 0.530 119.863 119.600 -0.445 0.000 2.229 1192 M HA 0.074 4.554 4.480 -0.000 0.000 0.264 1192 M C 2.249 178.124 176.300 -0.708 0.000 1.063 1192 M CA 0.917 55.740 55.300 -0.794 0.000 1.114 1192 M CB -0.875 30.741 32.600 -1.641 0.000 1.387 1192 M HN 0.278 nan 8.290 nan 0.000 0.420 1193 K N -0.159 119.977 120.400 -0.441 0.000 2.147 1193 K HA -0.184 4.135 4.320 -0.000 0.000 0.205 1193 K C 1.997 178.506 176.600 -0.150 0.000 1.049 1193 K CA 1.186 57.373 56.287 -0.167 0.000 0.936 1193 K CB -0.181 32.291 32.500 -0.048 0.000 0.722 1193 K HN 0.206 nan 8.250 nan 0.000 0.446 1194 F N 1.427 121.145 119.950 -0.386 0.000 2.163 1194 F HA -0.074 4.453 4.527 -0.001 0.000 0.297 1194 F C 1.671 177.295 175.800 -0.293 0.000 1.094 1194 F CA 1.070 58.843 58.000 -0.379 0.000 1.290 1194 F CB -0.007 38.576 39.000 -0.696 0.000 1.017 1194 F HN -0.075 nan 8.300 nan 0.000 0.483 1195 L N -0.123 120.957 121.223 -0.239 0.000 2.109 1195 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 1195 L C 2.786 179.571 176.870 -0.142 0.000 1.086 1195 L CA 0.933 55.632 54.840 -0.236 0.000 0.760 1195 L CB -1.179 40.829 42.059 -0.084 0.000 0.910 1195 L HN 0.221 nan 8.230 nan 0.000 0.437 1196 A N 0.367 123.103 122.820 -0.141 0.000 1.933 1196 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 1196 A C 2.523 180.066 177.584 -0.067 0.000 1.175 1196 A CA 2.009 54.020 52.037 -0.043 0.000 0.628 1196 A CB -0.686 18.333 19.000 0.031 0.000 0.814 1196 A HN 0.511 nan 8.150 nan 0.000 0.444 1197 S N -0.677 114.930 115.700 -0.155 0.000 2.474 1197 S HA -0.041 4.428 4.470 -0.000 0.000 0.235 1197 S C 1.290 175.780 174.600 -0.183 0.000 0.997 1197 S CA 1.070 59.173 58.200 -0.162 0.000 0.949 1197 S CB -0.112 62.966 63.200 -0.204 0.000 0.766 1197 S HN 0.469 nan 8.310 nan 0.000 0.517 1198 K N 0.903 121.167 120.400 -0.227 0.000 2.410 1198 K HA 0.218 4.537 4.320 -0.000 0.000 0.200 1198 K C -0.231 176.363 176.600 -0.009 0.000 1.023 1198 K CA -0.154 56.041 56.287 -0.153 0.000 1.149 1198 K CB 0.131 32.495 32.500 -0.226 0.000 0.859 1198 K HN 0.155 nan 8.250 nan 0.000 0.514 1199 K N 0.533 120.936 120.400 0.005 0.000 3.150 1199 K HA -0.202 4.118 4.320 -0.000 0.000 0.267 1199 K C -0.581 176.099 176.600 0.133 0.000 1.028 1199 K CA 0.534 56.852 56.287 0.053 0.000 0.753 1199 K CB -2.318 30.206 32.500 0.039 0.000 1.288 1199 K HN 0.267 nan 8.250 nan 0.000 0.473 1200 F N -0.130 119.805 119.950 -0.026 0.000 2.467 1200 F HA 0.429 4.956 4.527 -0.001 0.000 0.336 1200 F C -0.055 175.758 175.800 0.023 0.000 1.123 1200 F CA -1.010 56.997 58.000 0.011 0.000 0.964 1200 F CB 1.358 40.369 39.000 0.019 0.000 1.136 1200 F HN -0.136 nan 8.300 nan 0.000 0.447 1201 V N 7.054 126.606 119.914 -0.602 0.000 2.350 1201 V HA 0.112 4.232 4.120 -0.000 0.000 0.276 1201 V C 1.047 176.774 176.094 -0.611 0.000 1.028 1201 V CA -0.405 61.667 62.300 -0.380 0.000 0.860 1201 V CB 0.858 32.585 31.823 -0.160 0.000 0.990 1201 V HN 0.892 nan 8.190 nan 0.000 0.453 1202 H N 5.593 124.458 119.070 -0.341 0.000 2.293 1202 H HA -0.055 4.501 4.556 -0.000 0.000 0.300 1202 H C 1.630 176.854 175.328 -0.173 0.000 1.082 1202 H CA 2.320 58.258 56.048 -0.184 0.000 1.308 1202 H CB 0.369 30.146 29.762 0.025 0.000 1.375 1202 H HN 0.748 nan 8.280 nan 0.000 0.495 1203 R N -1.168 119.388 120.500 0.092 0.000 3.590 1203 R HA -0.171 4.169 4.340 -0.000 0.000 0.463 1203 R C -0.398 175.898 176.300 -0.006 0.000 0.657 1203 R CA 1.293 57.320 56.100 -0.122 0.000 1.512 1203 R CB -1.575 28.497 30.300 -0.379 0.000 2.154 1203 R HN 0.342 nan 8.270 nan 0.000 0.409 1204 D N 0.367 120.922 120.400 0.258 0.000 3.100 1204 D HA 0.171 4.811 4.640 -0.000 0.000 0.350 1204 D C -1.290 174.889 176.300 -0.202 0.000 1.310 1204 D CA -0.404 53.636 54.000 0.066 0.000 0.741 1204 D CB 0.382 41.231 40.800 0.081 0.000 1.248 1204 D HN 0.004 nan 8.370 nan 0.000 0.527 1205 L N 1.775 122.824 121.223 -0.291 0.000 2.433 1205 L HA 0.642 4.982 4.340 -0.000 0.000 0.275 1205 L C -0.384 176.406 176.870 -0.133 0.000 1.128 1205 L CA 0.230 54.880 54.840 -0.317 0.000 0.875 1205 L CB 0.119 42.148 42.059 -0.050 0.000 1.171 1205 L HN 0.274 nan 8.230 nan 0.000 0.463 1206 A N 3.910 126.625 122.820 -0.176 0.000 2.612 1206 A HA 0.724 5.043 4.320 -0.000 0.000 0.293 1206 A C 0.448 178.021 177.584 -0.018 0.000 1.075 1206 A CA -0.125 51.793 52.037 -0.198 0.000 0.680 1206 A CB 0.650 19.197 19.000 -0.754 0.000 1.279 1206 A HN 0.875 nan 8.150 nan 0.000 0.411 1207 A N 0.417 123.297 122.820 0.101 0.000 2.121 1207 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 1207 A C 1.881 179.507 177.584 0.069 0.000 1.154 1207 A CA 1.664 53.765 52.037 0.108 0.000 0.679 1207 A CB -0.458 18.639 19.000 0.161 0.000 0.795 1207 A HN 0.925 nan 8.150 nan 0.000 0.458 1208 R N -1.004 119.510 120.500 0.023 0.000 2.236 1208 R HA 0.059 4.398 4.340 -0.000 0.000 0.208 1208 R C 0.322 176.683 176.300 0.102 0.000 1.036 1208 R CA 1.160 57.269 56.100 0.015 0.000 1.001 1208 R CB -0.332 29.927 30.300 -0.067 0.000 0.896 1208 R HN 0.286 nan 8.270 nan 0.000 0.464 1209 N N 0.262 119.024 118.700 0.102 0.000 2.280 1209 N HA 0.091 4.831 4.740 -0.000 0.000 0.192 1209 N C -0.629 174.971 175.510 0.151 0.000 1.109 1209 N CA 0.024 53.196 53.050 0.203 0.000 0.855 1209 N CB 0.421 38.992 38.487 0.141 0.000 0.974 1209 N HN 0.155 nan 8.380 nan 0.000 0.482 1210 C N 1.494 120.856 119.300 0.104 0.000 2.358 1210 C HA 0.553 5.013 4.460 -0.000 0.000 0.342 1210 C C 0.391 175.400 174.990 0.032 0.000 1.234 1210 C CA -0.841 58.209 59.018 0.053 0.000 1.969 1210 C CB 0.815 28.574 27.740 0.032 0.000 2.346 1210 C HN 0.185 nan 8.230 nan 0.000 0.525 1211 M N 2.476 122.064 119.600 -0.021 0.000 2.705 1211 M HA 0.680 5.160 4.480 -0.000 0.000 0.311 1211 M C -0.881 175.340 176.300 -0.132 0.000 1.214 1211 M CA -0.803 54.460 55.300 -0.062 0.000 0.920 1211 M CB 1.368 33.916 32.600 -0.086 0.000 1.687 1211 M HN 0.440 nan 8.290 nan 0.000 0.481 1212 L N 2.148 123.269 121.223 -0.170 0.000 2.470 1212 L HA 0.420 4.759 4.340 -0.000 0.000 0.268 1212 L C -0.911 175.821 176.870 -0.230 0.000 0.964 1212 L CA -0.297 54.401 54.840 -0.237 0.000 0.839 1212 L CB 1.409 43.247 42.059 -0.369 0.000 1.276 1212 L HN 0.775 nan 8.230 nan 0.000 0.403 1213 D N 2.179 122.439 120.400 -0.234 0.000 2.549 1213 D HA 0.183 4.823 4.640 -0.000 0.000 0.270 1213 D C 0.725 176.839 176.300 -0.310 0.000 1.181 1213 D CA -0.153 53.687 54.000 -0.265 0.000 1.070 1213 D CB 0.432 41.102 40.800 -0.217 0.000 1.154 1213 D HN 0.634 nan 8.370 nan 0.000 0.602 1214 E N -0.508 119.499 120.200 -0.321 0.000 2.333 1214 E HA -0.202 4.148 4.350 -0.000 0.000 0.198 1214 E C 1.057 177.389 176.600 -0.445 0.000 1.007 1214 E CA 0.798 56.981 56.400 -0.361 0.000 0.845 1214 E CB -0.230 29.332 29.700 -0.230 0.000 0.766 1214 E HN 0.332 nan 8.360 nan 0.000 0.507 1215 K N -0.440 119.759 120.400 -0.334 0.000 2.367 1215 K HA 0.075 4.394 4.320 -0.000 0.000 0.194 1215 K C -0.563 175.991 176.600 -0.075 0.000 1.027 1215 K CA -0.113 56.067 56.287 -0.179 0.000 1.075 1215 K CB 0.333 32.795 32.500 -0.062 0.000 0.845 1215 K HN 0.069 nan 8.250 nan 0.000 0.529 1216 F N -0.118 119.820 119.950 -0.020 0.000 2.796 1216 F HA -0.208 4.319 4.527 -0.000 0.000 0.285 1216 F C -0.064 175.725 175.800 -0.018 0.000 0.742 1216 F CA 0.408 58.378 58.000 -0.050 0.000 1.460 1216 F CB -2.688 36.329 39.000 0.029 0.000 1.656 1216 F HN -0.205 nan 8.300 nan 0.000 0.390 1217 T N 1.382 115.947 114.554 0.019 0.000 2.743 1217 T HA 0.602 4.952 4.350 -0.000 0.000 0.293 1217 T C 0.383 175.049 174.700 -0.058 0.000 0.945 1217 T CA -0.477 61.625 62.100 0.003 0.000 1.030 1217 T CB 1.597 70.444 68.868 -0.034 0.000 0.912 1217 T HN 0.012 nan 8.240 nan 0.000 0.483 1218 V N 4.770 124.662 119.914 -0.036 0.000 2.530 1218 V HA 0.341 4.461 4.120 -0.000 0.000 0.282 1218 V C 0.300 176.367 176.094 -0.045 0.000 1.048 1218 V CA -0.346 61.909 62.300 -0.075 0.000 0.997 1218 V CB 0.993 32.789 31.823 -0.044 0.000 0.987 1218 V HN 0.685 nan 8.190 nan 0.000 0.477 1219 K N 3.381 123.745 120.400 -0.059 0.000 2.413 1219 K HA 0.545 4.865 4.320 -0.000 0.000 0.257 1219 K C -0.903 175.686 176.600 -0.019 0.000 0.946 1219 K CA -0.426 55.834 56.287 -0.044 0.000 0.823 1219 K CB 2.002 34.460 32.500 -0.070 0.000 1.109 1219 K HN 0.486 nan 8.250 nan 0.000 0.427 1220 V N 3.110 123.026 119.914 0.003 0.000 2.637 1220 V HA 0.575 4.694 4.120 -0.000 0.000 0.296 1220 V C 0.167 176.304 176.094 0.072 0.000 1.046 1220 V CA 0.376 62.705 62.300 0.048 0.000 1.066 1220 V CB 1.012 32.870 31.823 0.058 0.000 0.968 1220 V HN 0.980 nan 8.190 nan 0.000 0.483 1221 A N 4.161 127.058 122.820 0.128 0.000 2.593 1221 A HA 0.786 5.105 4.320 -0.000 0.000 0.304 1221 A C -1.432 176.259 177.584 0.180 0.000 1.233 1221 A CA -0.452 51.641 52.037 0.093 0.000 0.661 1221 A CB 1.768 20.737 19.000 -0.052 0.000 1.338 1221 A HN 0.597 nan 8.150 nan 0.000 0.495 1222 D N -0.433 119.983 120.400 0.027 0.000 2.616 1222 D HA 0.396 5.035 4.640 -0.000 0.000 0.238 1222 D C -1.736 174.546 176.300 -0.030 0.000 1.354 1222 D CA -0.156 53.880 54.000 0.059 0.000 0.970 1222 D CB 0.698 41.493 40.800 -0.007 0.000 1.369 1222 D HN 0.241 nan 8.370 nan 0.000 0.585 1223 F N 2.576 122.539 119.950 0.021 0.000 2.574 1223 F HA 0.240 4.767 4.527 -0.001 0.000 0.332 1223 F C 1.864 177.666 175.800 0.004 0.000 1.289 1223 F CA 0.346 58.351 58.000 0.009 0.000 1.029 1223 F CB 0.104 39.111 39.000 0.012 0.000 1.346 1223 F HN 0.328 nan 8.300 nan 0.000 0.647 1240 K N 0.085 120.516 120.400 0.051 0.000 3.394 1240 K HA 0.462 4.782 4.320 -0.000 0.000 0.166 1240 K C -1.542 175.096 176.600 0.064 0.000 1.063 1240 K CA -0.215 56.113 56.287 0.067 0.000 0.764 1240 K CB 1.330 33.874 32.500 0.073 0.000 0.870 1240 K HN 0.441 nan 8.250 nan 0.000 0.556 1241 T N -0.897 113.692 114.554 0.059 0.000 4.412 1241 T HA 0.405 4.755 4.350 -0.000 0.000 0.341 1241 T C 0.404 175.139 174.700 0.058 0.000 0.789 1241 T CA 0.507 62.636 62.100 0.048 0.000 0.944 1241 T CB 0.311 69.202 68.868 0.039 0.000 1.145 1241 T HN 0.567 nan 8.240 nan 0.000 0.464 1242 G N 3.843 112.672 108.800 0.049 0.000 5.045 1242 G HA2 0.116 4.076 3.960 -0.000 0.000 0.229 1242 G HA3 0.116 4.076 3.960 -0.000 0.000 0.229 1242 G C 0.265 175.222 174.900 0.096 0.000 1.440 1242 G CA 0.183 45.329 45.100 0.077 0.000 0.936 1242 G HN 1.948 nan 8.290 nan 0.000 0.690 1243 A N -0.653 122.226 122.820 0.099 0.000 2.357 1243 A HA 0.843 5.163 4.320 -0.000 0.000 0.295 1243 A C 0.331 177.960 177.584 0.075 0.000 1.121 1243 A CA 1.029 53.121 52.037 0.091 0.000 0.742 1243 A CB 1.722 20.778 19.000 0.093 0.000 1.181 1243 A HN 1.266 nan 8.150 nan 0.000 0.454 1244 K N 0.745 121.189 120.400 0.074 0.000 0.935 1244 K HA -0.014 4.306 4.320 -0.000 0.000 0.060 1244 K C -0.395 176.242 176.600 0.060 0.000 2.436 1244 K CA 0.988 57.310 56.287 0.059 0.000 0.971 1244 K CB -1.363 31.167 32.500 0.050 0.000 2.719 1244 K HN 0.656 nan 8.250 nan 0.000 0.315 1245 L N 2.925 124.195 121.223 0.078 0.000 2.431 1245 L HA 0.498 4.837 4.340 -0.000 0.000 0.260 1245 L C -1.613 175.327 176.870 0.118 0.000 1.098 1245 L CA -1.638 53.255 54.840 0.089 0.000 0.800 1245 L CB 0.296 42.428 42.059 0.123 0.000 1.210 1245 L HN -0.049 nan 8.230 nan 0.000 0.465 1246 P HA 0.045 nan 4.420 nan 0.000 0.212 1246 P C 0.950 178.452 177.300 0.337 0.000 1.816 1246 P CA -0.248 62.992 63.100 0.233 0.000 0.944 1246 P CB 0.026 31.807 31.700 0.135 0.000 1.896 1247 V N -0.717 119.335 119.914 0.231 0.000 2.636 1247 V HA -0.277 3.843 4.120 -0.000 0.000 0.258 1247 V C 1.652 177.842 176.094 0.161 0.000 1.092 1247 V CA 1.509 63.902 62.300 0.155 0.000 1.110 1247 V CB -1.311 30.552 31.823 0.067 0.000 0.685 1247 V HN 0.168 nan 8.190 nan 0.000 0.481 1248 K N -1.355 119.207 120.400 0.270 0.000 2.459 1248 K HA 0.070 4.390 4.320 -0.000 0.000 0.193 1248 K C 1.444 178.117 176.600 0.121 0.000 1.030 1248 K CA 0.838 57.207 56.287 0.138 0.000 1.026 1248 K CB -0.035 32.470 32.500 0.009 0.000 0.809 1248 K HN 0.682 nan 8.250 nan 0.000 0.504 1249 W N 0.346 121.780 121.300 0.222 0.000 2.870 1249 W HA 0.281 4.941 4.660 -0.000 0.000 0.358 1249 W C 0.154 176.875 176.519 0.336 0.000 1.043 1249 W CA -0.484 57.043 57.345 0.303 0.000 1.692 1249 W CB 0.390 29.991 29.460 0.235 0.000 1.100 1249 W HN -0.033 nan 8.180 nan 0.000 0.557 1250 M N 0.460 120.264 119.600 0.340 0.000 2.274 1250 M HA 0.412 4.892 4.480 -0.000 0.000 0.344 1250 M C 0.606 176.586 176.300 -0.533 0.000 1.161 1250 M CA -0.110 55.232 55.300 0.069 0.000 1.126 1250 M CB 1.264 33.912 32.600 0.081 0.000 1.522 1250 M HN -0.250 nan 8.290 nan 0.000 0.461 1251 A N 2.291 124.660 122.820 -0.751 0.000 2.287 1251 A HA 0.399 4.719 4.320 -0.000 0.000 0.273 1251 A C 0.930 177.970 177.584 -0.908 0.000 1.091 1251 A CA -0.513 50.658 52.037 -1.443 0.000 0.817 1251 A CB 0.322 18.929 19.000 -0.654 0.000 1.069 1251 A HN 1.024 nan 8.150 nan 0.000 0.492 1252 L N 0.320 120.986 121.223 -0.928 0.000 1.971 1252 L HA -0.227 4.113 4.340 -0.000 0.000 0.215 1252 L C 2.877 179.559 176.870 -0.314 0.000 1.072 1252 L CA 2.184 56.743 54.840 -0.468 0.000 0.758 1252 L CB -0.464 41.417 42.059 -0.296 0.000 0.889 1252 L HN 1.013 nan 8.230 nan 0.000 0.433 1253 E N -0.753 119.291 120.200 -0.260 0.000 2.219 1253 E HA -0.234 4.116 4.350 -0.000 0.000 0.198 1253 E C 2.037 178.487 176.600 -0.251 0.000 0.998 1253 E CA 1.835 58.117 56.400 -0.198 0.000 0.818 1253 E CB -0.303 29.313 29.700 -0.140 0.000 0.741 1253 E HN 0.369 nan 8.360 nan 0.000 0.477 1254 S N 0.628 116.134 115.700 -0.323 0.000 2.362 1254 S HA 0.053 4.523 4.470 -0.000 0.000 0.221 1254 S C 2.066 176.454 174.600 -0.354 0.000 1.032 1254 S CA 0.657 58.592 58.200 -0.443 0.000 0.973 1254 S CB -0.137 62.796 63.200 -0.445 0.000 0.849 1254 S HN 0.224 nan 8.310 nan 0.000 0.465 1255 L N 1.114 122.173 121.223 -0.274 0.000 2.083 1255 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 1255 L C 2.668 179.431 176.870 -0.178 0.000 1.083 1255 L CA 1.248 55.969 54.840 -0.198 0.000 0.752 1255 L CB -0.447 41.491 42.059 -0.202 0.000 0.899 1255 L HN 0.320 nan 8.230 nan 0.000 0.433 1256 Q N -0.795 118.894 119.800 -0.184 0.000 1.990 1256 Q HA -0.174 4.166 4.340 -0.000 0.000 0.200 1256 Q C 2.226 178.146 176.000 -0.134 0.000 0.980 1256 Q CA 2.215 57.929 55.803 -0.147 0.000 0.832 1256 Q CB -0.102 28.555 28.738 -0.134 0.000 0.897 1256 Q HN 0.568 nan 8.270 nan 0.000 0.427 1257 T N -3.737 110.723 114.554 -0.156 0.000 3.022 1257 T HA 0.098 4.448 4.350 -0.000 0.000 0.250 1257 T C 0.359 174.965 174.700 -0.156 0.000 1.060 1257 T CA 0.189 62.207 62.100 -0.137 0.000 1.013 1257 T CB 0.372 69.169 68.868 -0.117 0.000 0.982 1257 T HN 0.222 nan 8.240 nan 0.000 0.508 1258 Q N 0.349 120.009 119.800 -0.233 0.000 2.502 1258 Q HA -0.142 4.198 4.340 -0.000 0.000 0.273 1258 Q C -0.836 174.970 176.000 -0.324 0.000 1.127 1258 Q CA 1.150 56.799 55.803 -0.257 0.000 0.952 1258 Q CB -1.653 27.038 28.738 -0.079 0.000 1.333 1258 Q HN 0.853 nan 8.270 nan 0.000 0.494 1259 K N -0.962 119.169 120.400 -0.448 0.000 2.376 1259 K HA 0.693 5.013 4.320 -0.000 0.000 0.257 1259 K C -0.959 175.347 176.600 -0.489 0.000 0.939 1259 K CA -0.558 55.540 56.287 -0.316 0.000 0.809 1259 K CB 1.036 33.448 32.500 -0.146 0.000 1.121 1259 K HN -0.047 nan 8.250 nan 0.000 0.425 1260 F N 1.595 121.538 119.950 -0.012 0.000 2.420 1260 F HA 0.544 5.071 4.527 -0.000 0.000 0.342 1260 F C 0.722 176.521 175.800 -0.001 0.000 1.113 1260 F CA -0.256 57.742 58.000 -0.003 0.000 1.059 1260 F CB 2.118 41.117 39.000 -0.002 0.000 1.128 1260 F HN 0.791 nan 8.300 nan 0.000 0.475 1261 T N -1.957 112.702 114.554 0.175 0.000 2.838 1261 T HA 0.278 4.628 4.350 -0.000 0.000 0.292 1261 T C 0.673 175.463 174.700 0.150 0.000 1.113 1261 T CA -0.581 61.590 62.100 0.119 0.000 1.008 1261 T CB 1.493 70.401 68.868 0.066 0.000 1.259 1261 T HN 0.418 nan 8.240 nan 0.000 0.520 1262 T N 0.767 115.399 114.554 0.130 0.000 2.788 1262 T HA -0.034 4.316 4.350 -0.000 0.000 0.268 1262 T C 1.770 176.585 174.700 0.191 0.000 1.044 1262 T CA 0.984 63.194 62.100 0.184 0.000 1.139 1262 T CB -0.300 68.667 68.868 0.165 0.000 0.867 1262 T HN 0.470 nan 8.240 nan 0.000 0.454 1263 K N 1.593 122.066 120.400 0.122 0.000 2.362 1263 K HA 0.019 4.339 4.320 -0.000 0.000 0.200 1263 K C 2.452 179.154 176.600 0.170 0.000 1.046 1263 K CA 0.950 57.296 56.287 0.098 0.000 0.952 1263 K CB -0.275 32.265 32.500 0.065 0.000 0.753 1263 K HN 0.536 nan 8.250 nan 0.000 0.466 1264 S N -0.264 115.553 115.700 0.195 0.000 2.524 1264 S HA 0.018 4.487 4.470 -0.000 0.000 0.216 1264 S C 1.228 176.039 174.600 0.350 0.000 0.987 1264 S CA 0.156 58.504 58.200 0.246 0.000 0.909 1264 S CB 0.252 63.551 63.200 0.165 0.000 0.781 1264 S HN 0.047 nan 8.310 nan 0.000 0.521 1265 D N 1.878 122.484 120.400 0.343 0.000 2.194 1265 D HA 0.063 4.702 4.640 -0.000 0.000 0.204 1265 D C 2.010 178.603 176.300 0.488 0.000 0.964 1265 D CA 0.583 54.840 54.000 0.429 0.000 0.846 1265 D CB -0.193 40.886 40.800 0.464 0.000 0.962 1265 D HN 0.283 nan 8.370 nan 0.000 0.490 1266 V N 0.902 120.972 119.914 0.261 0.000 2.343 1266 V HA -0.199 3.920 4.120 -0.000 0.000 0.247 1266 V C 2.201 178.468 176.094 0.288 0.000 1.051 1266 V CA 1.224 63.543 62.300 0.033 0.000 1.036 1266 V CB -0.426 31.270 31.823 -0.212 0.000 0.654 1266 V HN 0.394 nan 8.190 nan 0.000 0.451 1267 W N 0.963 122.395 121.300 0.220 0.000 2.333 1267 W HA -0.231 4.429 4.660 -0.000 0.000 0.316 1267 W C 2.627 179.410 176.519 0.439 0.000 1.215 1267 W CA 2.241 59.801 57.345 0.358 0.000 1.278 1267 W CB -0.595 29.062 29.460 0.327 0.000 1.154 1267 W HN 0.300 nan 8.180 nan 0.000 0.486 1268 S N 0.583 116.729 115.700 0.743 0.000 2.387 1268 S HA -0.261 4.209 4.470 -0.000 0.000 0.230 1268 S C 1.553 176.488 174.600 0.559 0.000 1.035 1268 S CA 1.770 60.370 58.200 0.667 0.000 1.014 1268 S CB -0.995 62.534 63.200 0.549 0.000 0.836 1268 S HN 0.338 nan 8.310 nan 0.000 0.466 1269 F N 2.219 122.385 119.950 0.359 0.000 2.216 1269 F HA -0.009 4.518 4.527 -0.001 0.000 0.300 1269 F C 2.120 178.031 175.800 0.185 0.000 1.085 1269 F CA 1.213 59.382 58.000 0.281 0.000 1.326 1269 F CB -0.756 38.424 39.000 0.301 0.000 1.027 1269 F HN 0.213 nan 8.300 nan 0.000 0.497 1270 G N -0.624 108.177 108.800 0.001 0.000 2.464 1270 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.217 1270 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.217 1270 G C 1.651 176.648 174.900 0.161 0.000 1.138 1270 G CA 0.897 45.843 45.100 -0.258 0.000 0.793 1270 G HN 0.333 nan 8.290 nan 0.000 0.539 1271 V N 0.604 120.735 119.914 0.361 0.000 2.407 1271 V HA -0.035 4.085 4.120 -0.000 0.000 0.245 1271 V C 2.612 178.867 176.094 0.269 0.000 1.041 1271 V CA 1.292 63.747 62.300 0.258 0.000 1.040 1271 V CB -0.317 31.482 31.823 -0.040 0.000 0.671 1271 V HN 0.378 nan 8.190 nan 0.000 0.455 1272 L N -0.433 120.951 121.223 0.267 0.000 2.043 1272 L HA -0.202 4.137 4.340 -0.000 0.000 0.212 1272 L C 2.252 179.156 176.870 0.057 0.000 1.075 1272 L CA 1.812 56.778 54.840 0.210 0.000 0.752 1272 L CB -0.211 41.930 42.059 0.136 0.000 0.891 1272 L HN 0.246 nan 8.230 nan 0.000 0.432 1273 L N -1.935 119.213 121.223 -0.125 0.000 2.275 1273 L HA -0.226 4.114 4.340 -0.000 0.000 0.215 1273 L C 2.172 179.080 176.870 0.062 0.000 1.119 1273 L CA 1.134 55.902 54.840 -0.120 0.000 0.790 1273 L CB -0.482 41.411 42.059 -0.276 0.000 0.919 1273 L HN 0.528 nan 8.230 nan 0.000 0.443 1274 W N 1.264 122.557 121.300 -0.011 0.000 2.441 1274 W HA -0.128 4.531 4.660 -0.000 0.000 0.302 1274 W C 2.385 178.898 176.519 -0.010 0.000 1.191 1274 W CA 1.218 58.576 57.345 0.021 0.000 1.327 1274 W CB 0.060 29.541 29.460 0.036 0.000 1.128 1274 W HN 0.042 nan 8.180 nan 0.000 0.522 1275 E N 0.372 120.722 120.200 0.251 0.000 2.085 1275 E HA -0.279 4.070 4.350 -0.000 0.000 0.194 1275 E C 2.161 178.743 176.600 -0.031 0.000 0.994 1275 E CA 1.829 58.292 56.400 0.105 0.000 0.801 1275 E CB -0.682 29.178 29.700 0.267 0.000 0.743 1275 E HN 0.354 nan 8.360 nan 0.000 0.453 1276 L N 0.293 121.528 121.223 0.020 0.000 2.017 1276 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 1276 L C 2.409 179.252 176.870 -0.045 0.000 1.073 1276 L CA 0.801 55.660 54.840 0.032 0.000 0.745 1276 L CB -0.275 41.829 42.059 0.075 0.000 0.894 1276 L HN 0.239 nan 8.230 nan 0.000 0.432 1277 M N -0.910 118.618 119.600 -0.121 0.000 2.557 1277 M HA -0.035 4.445 4.480 -0.000 0.000 0.259 1277 M C 1.917 178.102 176.300 -0.191 0.000 1.086 1277 M CA 1.265 56.482 55.300 -0.139 0.000 1.096 1277 M CB -1.424 31.103 32.600 -0.121 0.000 1.424 1277 M HN 0.375 nan 8.290 nan 0.000 0.488 1278 T N -3.367 110.982 114.554 -0.341 0.000 3.092 1278 T HA 0.290 4.640 4.350 -0.000 0.000 0.258 1278 T C 0.681 175.281 174.700 -0.166 0.000 1.031 1278 T CA -0.387 61.512 62.100 -0.336 0.000 0.925 1278 T CB 0.070 68.437 68.868 -0.836 0.000 1.036 1278 T HN 0.414 nan 8.240 nan 0.000 0.544 1279 R N 0.687 121.124 120.500 -0.105 0.000 3.336 1279 R HA -0.138 4.202 4.340 -0.000 0.000 0.260 1279 R C 0.956 177.246 176.300 -0.017 0.000 1.032 1279 R CA 0.431 56.515 56.100 -0.027 0.000 0.693 1279 R CB -2.175 28.122 30.300 -0.005 0.000 1.134 1279 R HN 0.999 nan 8.270 nan 0.000 0.433 1280 G N -1.785 106.998 108.800 -0.028 0.000 2.142 1280 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.225 1280 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.225 1280 G C 0.209 175.109 174.900 0.000 0.000 1.015 1280 G CA 0.175 45.290 45.100 0.025 0.000 0.716 1280 G HN 0.845 nan 8.290 nan 0.000 0.508 1281 A N 0.413 123.149 122.820 -0.141 0.000 2.386 1281 A HA 0.739 5.058 4.320 -0.000 0.000 0.248 1281 A C -1.381 176.253 177.584 0.084 0.000 1.082 1281 A CA -0.811 51.112 52.037 -0.189 0.000 0.789 1281 A CB 0.484 19.010 19.000 -0.790 0.000 1.025 1281 A HN 0.252 nan 8.150 nan 0.000 0.490 1282 P HA 0.345 nan 4.420 nan 0.000 0.285 1282 P C -2.792 174.550 177.300 0.070 0.000 1.259 1282 P CA -1.525 61.662 63.100 0.144 0.000 0.794 1282 P CB 0.512 32.281 31.700 0.114 0.000 0.940 1283 P HA 0.127 nan 4.420 nan 0.000 0.279 1283 P C -0.675 176.336 177.300 -0.481 0.000 1.239 1283 P CA -0.274 62.341 63.100 -0.808 0.000 0.789 1283 P CB -0.064 30.987 31.700 -1.082 0.000 0.933 1284 Y N 0.741 120.753 120.300 -0.479 0.000 2.980 1284 Y HA -0.167 4.382 4.550 -0.000 0.000 0.199 1284 Y C -1.059 174.713 175.900 -0.214 0.000 1.319 1284 Y CA -0.159 57.736 58.100 -0.341 0.000 0.877 1284 Y CB -2.412 35.802 38.460 -0.410 0.000 1.259 1284 Y HN 0.453 nan 8.280 nan 0.000 0.437 1285 P HA -0.128 nan 4.420 nan 0.000 0.226 1285 P C 0.742 178.054 177.300 0.020 0.000 1.153 1285 P CA 1.884 65.006 63.100 0.037 0.000 0.777 1285 P CB 0.327 32.085 31.700 0.096 0.000 0.794 1286 D N -0.483 119.910 120.400 -0.012 0.000 2.379 1286 D HA 0.028 4.668 4.640 -0.000 0.000 0.208 1286 D C 0.832 177.079 176.300 -0.088 0.000 1.065 1286 D CA 0.061 54.045 54.000 -0.026 0.000 0.848 1286 D CB 0.126 40.924 40.800 -0.004 0.000 0.949 1286 D HN 0.126 nan 8.370 nan 0.000 0.509 1287 V N 0.953 120.765 119.914 -0.171 0.000 2.513 1287 V HA 0.483 4.603 4.120 -0.000 0.000 0.299 1287 V C -1.162 174.846 176.094 -0.144 0.000 1.035 1287 V CA -0.964 61.186 62.300 -0.251 0.000 0.889 1287 V CB 1.452 32.892 31.823 -0.639 0.000 0.988 1287 V HN -0.115 nan 8.190 nan 0.000 0.440 1288 N N 3.031 121.685 118.700 -0.078 0.000 2.529 1288 N HA 0.270 5.010 4.740 -0.000 0.000 0.278 1288 N C 1.274 176.786 175.510 0.003 0.000 1.146 1288 N CA 0.115 53.162 53.050 -0.004 0.000 0.980 1288 N CB 1.256 39.773 38.487 0.050 0.000 1.124 1288 N HN 0.885 nan 8.380 nan 0.000 0.458 1289 T N -1.249 113.328 114.554 0.037 0.000 2.803 1289 T HA -0.250 4.100 4.350 -0.000 0.000 0.269 1289 T C 1.292 176.027 174.700 0.059 0.000 1.052 1289 T CA 0.970 63.092 62.100 0.038 0.000 1.136 1289 T CB -0.602 68.312 68.868 0.077 0.000 0.864 1289 T HN 0.482 nan 8.240 nan 0.000 0.467 1290 F N 3.148 123.081 119.950 -0.029 0.000 2.365 1290 F HA 0.061 4.588 4.527 -0.001 0.000 0.300 1290 F C 0.383 176.163 175.800 -0.034 0.000 1.090 1290 F CA 1.000 58.986 58.000 -0.023 0.000 1.408 1290 F CB 0.094 39.085 39.000 -0.015 0.000 1.060 1290 F HN 0.283 nan 8.300 nan 0.000 0.534 1291 D N -0.158 120.244 120.400 0.002 0.000 2.957 1291 D HA 0.092 4.732 4.640 -0.000 0.000 0.352 1291 D C 1.333 177.578 176.300 -0.091 0.000 1.352 1291 D CA -0.047 53.910 54.000 -0.072 0.000 0.831 1291 D CB -0.261 40.579 40.800 0.068 0.000 1.147 1291 D HN 0.249 nan 8.370 nan 0.000 0.467 1292 I N 0.852 121.335 120.570 -0.145 0.000 2.406 1292 I HA -0.148 4.021 4.170 -0.000 0.000 0.249 1292 I C 1.868 177.907 176.117 -0.131 0.000 1.122 1292 I CA 1.479 62.668 61.300 -0.185 0.000 1.431 1292 I CB -0.234 37.612 38.000 -0.255 0.000 1.087 1292 I HN -0.067 nan 8.210 nan 0.000 0.424 1293 T N -0.047 114.420 114.554 -0.144 0.000 2.720 1293 T HA -0.156 4.193 4.350 -0.000 0.000 0.268 1293 T C 2.011 176.658 174.700 -0.088 0.000 1.037 1293 T CA 1.900 63.921 62.100 -0.132 0.000 1.144 1293 T CB -0.526 68.250 68.868 -0.154 0.000 0.864 1293 T HN 0.197 nan 8.240 nan 0.000 0.444 1294 V N 0.145 120.018 119.914 -0.069 0.000 2.515 1294 V HA -0.118 4.001 4.120 -0.000 0.000 0.250 1294 V C 1.996 178.089 176.094 -0.003 0.000 1.058 1294 V CA 1.318 63.596 62.300 -0.036 0.000 1.064 1294 V CB -0.750 31.059 31.823 -0.023 0.000 0.675 1294 V HN 0.491 nan 8.190 nan 0.000 0.461 1295 Y N 0.390 120.620 120.300 -0.118 0.000 2.220 1295 Y HA -0.112 4.438 4.550 -0.000 0.000 0.291 1295 Y C 2.156 177.987 175.900 -0.115 0.000 1.129 1295 Y CA 1.469 59.498 58.100 -0.118 0.000 1.161 1295 Y CB -0.082 38.278 38.460 -0.166 0.000 0.997 1295 Y HN 0.122 nan 8.280 nan 0.000 0.522 1296 L N -0.444 120.740 121.223 -0.065 0.000 2.027 1296 L HA -0.215 4.125 4.340 -0.000 0.000 0.206 1296 L C 2.175 178.981 176.870 -0.107 0.000 1.074 1296 L CA 1.099 55.879 54.840 -0.100 0.000 0.745 1296 L CB -0.655 41.389 42.059 -0.026 0.000 0.898 1296 L HN 0.204 nan 8.230 nan 0.000 0.433 1297 L N -0.163 121.010 121.223 -0.083 0.000 2.651 1297 L HA -0.205 4.135 4.340 -0.000 0.000 0.236 1297 L C 2.064 178.885 176.870 -0.081 0.000 1.173 1297 L CA 0.699 55.498 54.840 -0.069 0.000 0.843 1297 L CB -0.396 41.626 42.059 -0.062 0.000 0.964 1297 L HN 0.425 nan 8.230 nan 0.000 0.454 1298 Q N -0.393 119.331 119.800 -0.126 0.000 2.356 1298 Q HA 0.162 4.502 4.340 -0.000 0.000 0.205 1298 Q C 1.019 176.946 176.000 -0.120 0.000 0.901 1298 Q CA 0.503 56.232 55.803 -0.125 0.000 0.938 1298 Q CB 0.772 29.409 28.738 -0.168 0.000 1.081 1298 Q HN 0.493 nan 8.270 nan 0.000 0.517 1299 G N 1.739 110.466 108.800 -0.123 0.000 2.427 1299 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.193 1299 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.193 1299 G C -0.575 174.255 174.900 -0.116 0.000 1.086 1299 G CA -0.592 44.453 45.100 -0.092 0.000 0.818 1299 G HN 0.082 nan 8.290 nan 0.000 0.490 1300 R N -0.357 120.041 120.500 -0.170 0.000 2.778 1300 R HA 0.890 5.230 4.340 -0.000 0.000 0.277 1300 R C -0.125 176.117 176.300 -0.098 0.000 0.977 1300 R CA -0.997 54.991 56.100 -0.186 0.000 0.950 1300 R CB 1.713 31.729 30.300 -0.474 0.000 1.165 1300 R HN 0.172 nan 8.270 nan 0.000 0.474 1301 R N 1.158 121.625 120.500 -0.055 0.000 2.764 1301 R HA 0.398 4.737 4.340 -0.000 0.000 0.270 1301 R C -0.620 175.613 176.300 -0.112 0.000 1.014 1301 R CA -1.159 54.850 56.100 -0.152 0.000 0.904 1301 R CB 1.063 31.321 30.300 -0.071 0.000 1.236 1301 R HN 0.411 nan 8.270 nan 0.000 0.466 1302 L N 1.625 122.610 121.223 -0.397 0.000 2.483 1302 L HA 0.192 4.532 4.340 -0.000 0.000 0.275 1302 L C 0.664 177.614 176.870 0.134 0.000 1.220 1302 L CA 0.073 54.698 54.840 -0.357 0.000 0.833 1302 L CB 0.107 41.557 42.059 -1.014 0.000 1.102 1302 L HN 0.245 nan 8.230 nan 0.000 0.490 1303 L N 1.589 122.935 121.223 0.205 0.000 2.466 1303 L HA 0.190 4.530 4.340 -0.000 0.000 0.257 1303 L C 0.495 177.483 176.870 0.196 0.000 1.189 1303 L CA -0.292 54.683 54.840 0.225 0.000 0.813 1303 L CB 0.366 42.530 42.059 0.176 0.000 1.118 1303 L HN 0.601 nan 8.230 nan 0.000 0.471 1304 Q N 1.829 121.458 119.800 -0.283 0.000 2.286 1304 Q HA 0.199 4.539 4.340 -0.000 0.000 0.267 1304 Q C -2.203 173.696 176.000 -0.168 0.000 1.028 1304 Q CA -1.568 53.905 55.803 -0.550 0.000 0.901 1304 Q CB 0.976 29.146 28.738 -0.947 0.000 1.183 1304 Q HN 0.270 nan 8.270 nan 0.000 0.392 1305 P HA -0.044 nan 4.420 nan 0.000 0.272 1305 P C 0.061 177.292 177.300 -0.116 0.000 1.230 1305 P CA -0.087 62.957 63.100 -0.094 0.000 0.788 1305 P CB 0.636 32.235 31.700 -0.169 0.000 0.949 1306 E N 0.559 120.681 120.200 -0.129 0.000 2.085 1306 E HA -0.232 4.117 4.350 -0.000 0.000 0.194 1306 E C 0.224 176.597 176.600 -0.379 0.000 0.994 1306 E CA 1.419 57.651 56.400 -0.281 0.000 0.801 1306 E CB -0.236 29.231 29.700 -0.389 0.000 0.743 1306 E HN 0.481 nan 8.360 nan 0.000 0.453 1307 Y N -0.277 120.004 120.300 -0.031 0.000 2.583 1307 Y HA 0.207 4.756 4.550 -0.000 0.000 0.294 1307 Y C 0.099 175.944 175.900 -0.090 0.000 1.170 1307 Y CA -0.591 57.486 58.100 -0.038 0.000 1.265 1307 Y CB 0.224 38.683 38.460 -0.002 0.000 1.119 1307 Y HN 0.062 nan 8.280 nan 0.000 0.522 1308 C N 2.648 121.944 119.300 -0.007 0.000 2.319 1308 C HA 0.557 5.017 4.460 -0.000 0.000 0.335 1308 C C -2.305 172.684 174.990 -0.002 0.000 1.274 1308 C CA -2.425 56.586 59.018 -0.013 0.000 1.806 1308 C CB 0.153 27.887 27.740 -0.011 0.000 2.329 1308 C HN 0.175 nan 8.230 nan 0.000 0.524 1309 P HA 0.203 nan 4.420 nan 0.000 0.271 1309 P C 0.251 177.612 177.300 0.101 0.000 1.216 1309 P CA 0.204 63.357 63.100 0.089 0.000 0.776 1309 P CB 0.678 32.488 31.700 0.183 0.000 0.881 1310 D N 4.040 124.493 120.400 0.088 0.000 2.127 1310 D HA -0.175 4.464 4.640 -0.000 0.000 0.190 1310 D C -0.577 175.799 176.300 0.127 0.000 1.000 1310 D CA 2.088 56.151 54.000 0.105 0.000 0.839 1310 D CB -1.797 39.046 40.800 0.070 0.000 0.955 1310 D HN 0.426 nan 8.370 nan 0.000 0.446 1311 P HA -0.129 nan 4.420 nan 0.000 0.218 1311 P C 1.764 179.110 177.300 0.076 0.000 1.148 1311 P CA 0.833 63.980 63.100 0.078 0.000 0.822 1311 P CB 0.040 31.784 31.700 0.074 0.000 0.784 1312 L N -1.988 119.296 121.223 0.102 0.000 2.240 1312 L HA -0.043 4.297 4.340 -0.000 0.000 0.211 1312 L C 2.541 179.455 176.870 0.074 0.000 1.106 1312 L CA 1.276 56.163 54.840 0.079 0.000 0.793 1312 L CB -1.143 40.964 42.059 0.081 0.000 0.927 1312 L HN -0.189 nan 8.230 nan 0.000 0.446 1313 Y N 0.515 120.807 120.300 -0.013 0.000 2.263 1313 Y HA -0.129 4.421 4.550 -0.000 0.000 0.292 1313 Y C 2.295 178.164 175.900 -0.052 0.000 1.130 1313 Y CA 1.646 59.735 58.100 -0.018 0.000 1.179 1313 Y CB -0.094 38.383 38.460 0.028 0.000 0.998 1313 Y HN 0.324 nan 8.280 nan 0.000 0.532 1314 E N -0.967 119.186 120.200 -0.078 0.000 2.209 1314 E HA -0.167 4.182 4.350 -0.000 0.000 0.196 1314 E C 2.156 178.639 176.600 -0.195 0.000 0.993 1314 E CA 1.272 57.585 56.400 -0.144 0.000 0.819 1314 E CB -0.095 29.583 29.700 -0.037 0.000 0.745 1314 E HN 0.308 nan 8.360 nan 0.000 0.477 1315 V N 0.665 120.475 119.914 -0.173 0.000 2.535 1315 V HA -0.186 3.934 4.120 -0.000 0.000 0.246 1315 V C 2.077 177.959 176.094 -0.354 0.000 1.045 1315 V CA 1.217 63.409 62.300 -0.180 0.000 1.058 1315 V CB -0.194 31.584 31.823 -0.074 0.000 0.689 1315 V HN 0.309 nan 8.190 nan 0.000 0.461 1316 M N -0.758 118.539 119.600 -0.505 0.000 2.117 1316 M HA -0.161 4.318 4.480 -0.000 0.000 0.262 1316 M C 2.175 177.699 176.300 -1.294 0.000 1.065 1316 M CA 1.910 56.601 55.300 -1.015 0.000 1.114 1316 M CB -0.451 31.605 32.600 -0.907 0.000 1.361 1316 M HN 0.257 nan 8.290 nan 0.000 0.408 1317 L N -0.078 120.679 121.223 -0.776 0.000 2.079 1317 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 1317 L C 2.401 179.097 176.870 -0.290 0.000 1.081 1317 L CA 1.442 56.034 54.840 -0.414 0.000 0.752 1317 L CB -0.677 41.177 42.059 -0.342 0.000 0.896 1317 L HN 0.327 nan 8.230 nan 0.000 0.433 1318 K N -0.809 119.420 120.400 -0.286 0.000 2.148 1318 K HA -0.110 4.210 4.320 -0.000 0.000 0.204 1318 K C 2.104 178.610 176.600 -0.156 0.000 1.050 1318 K CA 1.266 57.471 56.287 -0.136 0.000 0.942 1318 K CB -0.187 32.245 32.500 -0.113 0.000 0.724 1318 K HN 0.367 nan 8.250 nan 0.000 0.446 1319 C N -0.108 118.968 119.300 -0.374 0.000 2.432 1319 C HA -0.053 4.406 4.460 -0.000 0.000 0.282 1319 C C 1.212 176.036 174.990 -0.278 0.000 1.388 1319 C CA -0.003 58.802 59.018 -0.355 0.000 1.777 1319 C CB -0.712 26.713 27.740 -0.526 0.000 1.882 1319 C HN 0.561 nan 8.230 nan 0.000 0.520 1320 W N 0.322 121.406 121.300 -0.359 0.000 3.015 1320 W HA 0.292 4.952 4.660 -0.000 0.000 0.429 1320 W C 0.901 177.319 176.519 -0.168 0.000 0.976 1320 W CA -0.837 56.069 57.345 -0.731 0.000 2.086 1320 W CB -1.506 27.311 29.460 -1.071 0.000 1.125 1320 W HN 0.425 nan 8.180 nan 0.000 0.721 1321 H N 2.490 121.625 119.070 0.108 0.000 2.972 1321 H HA -0.006 4.549 4.556 -0.000 0.000 0.343 1321 H C -1.360 174.114 175.328 0.243 0.000 1.054 1321 H CA -0.268 55.858 56.048 0.130 0.000 1.412 1321 H CB 1.477 31.279 29.762 0.066 0.000 1.385 1321 H HN -0.136 nan 8.280 nan 0.000 0.600 1322 P HA -0.055 nan 4.420 nan 0.000 0.216 1322 P C -0.330 177.150 177.300 0.301 0.000 1.153 1322 P CA 1.538 64.781 63.100 0.238 0.000 0.848 1322 P CB 0.329 32.067 31.700 0.062 0.000 0.787 1323 K N -0.278 120.402 120.400 0.466 0.000 2.264 1323 K HA 0.446 4.766 4.320 -0.000 0.000 0.277 1323 K C 1.107 177.783 176.600 0.126 0.000 1.067 1323 K CA -0.296 56.124 56.287 0.221 0.000 0.900 1323 K CB 0.963 33.551 32.500 0.146 0.000 1.124 1323 K HN -0.140 nan 8.250 nan 0.000 0.469 1324 A N 3.416 126.298 122.820 0.102 0.000 2.009 1324 A HA -0.241 4.079 4.320 -0.000 0.000 0.222 1324 A C 1.799 179.384 177.584 0.003 0.000 1.175 1324 A CA 1.963 54.044 52.037 0.075 0.000 0.651 1324 A CB -0.338 18.696 19.000 0.057 0.000 0.815 1324 A HN 0.869 nan 8.150 nan 0.000 0.459 1325 E N -1.166 119.015 120.200 -0.032 0.000 2.481 1325 E HA -0.053 4.297 4.350 -0.000 0.000 0.195 1325 E C 1.163 177.685 176.600 -0.131 0.000 1.047 1325 E CA 0.539 56.902 56.400 -0.062 0.000 0.867 1325 E CB -0.239 29.436 29.700 -0.041 0.000 0.858 1325 E HN 0.512 nan 8.360 nan 0.000 0.513 1326 M N 1.094 120.541 119.600 -0.256 0.000 2.502 1326 M HA 0.189 4.668 4.480 -0.000 0.000 0.243 1326 M C 0.626 176.692 176.300 -0.390 0.000 1.130 1326 M CA 0.170 55.195 55.300 -0.458 0.000 1.055 1326 M CB -0.211 31.747 32.600 -1.069 0.000 1.457 1326 M HN -0.036 nan 8.290 nan 0.000 0.488 1327 R N 1.957 122.323 120.500 -0.223 0.000 2.594 1327 R HA 0.231 4.571 4.340 -0.000 0.000 0.272 1327 R C -2.161 174.068 176.300 -0.118 0.000 1.074 1327 R CA -1.328 54.708 56.100 -0.107 0.000 1.105 1327 R CB -0.468 29.819 30.300 -0.022 0.000 1.008 1327 R HN 0.062 nan 8.270 nan 0.000 0.472 1328 P HA -0.002 nan 4.420 nan 0.000 0.274 1328 P C -0.450 176.739 177.300 -0.184 0.000 1.237 1328 P CA -0.348 62.674 63.100 -0.129 0.000 0.793 1328 P CB 0.913 32.540 31.700 -0.121 0.000 0.977 1329 S N 0.315 115.923 115.700 -0.152 0.000 2.652 1329 S HA 0.254 4.724 4.470 -0.000 0.000 0.270 1329 S C 1.030 175.501 174.600 -0.215 0.000 1.243 1329 S CA -0.397 57.705 58.200 -0.164 0.000 0.999 1329 S CB -0.016 63.150 63.200 -0.058 0.000 0.973 1329 S HN 0.221 nan 8.310 nan 0.000 0.544 1330 F N 0.855 120.743 119.950 -0.103 0.000 2.269 1330 F HA -0.031 4.496 4.527 -0.000 0.000 0.301 1330 F C 2.951 178.673 175.800 -0.130 0.000 1.082 1330 F CA 1.413 59.312 58.000 -0.169 0.000 1.360 1330 F CB -0.730 38.166 39.000 -0.174 0.000 1.041 1330 F HN 0.698 nan 8.300 nan 0.000 0.512 1331 S N -0.273 115.469 115.700 0.070 0.000 2.355 1331 S HA -0.237 4.233 4.470 -0.000 0.000 0.222 1331 S C 2.168 176.771 174.600 0.005 0.000 1.031 1331 S CA 1.521 59.741 58.200 0.033 0.000 0.993 1331 S CB -0.355 62.859 63.200 0.023 0.000 0.859 1331 S HN 0.597 nan 8.310 nan 0.000 0.453 1332 E N 0.196 120.384 120.200 -0.019 0.000 2.208 1332 E HA -0.074 4.275 4.350 -0.000 0.000 0.193 1332 E C 2.047 178.631 176.600 -0.028 0.000 0.988 1332 E CA 0.789 57.173 56.400 -0.026 0.000 0.828 1332 E CB -0.235 29.441 29.700 -0.041 0.000 0.763 1332 E HN 0.521 nan 8.360 nan 0.000 0.478 1333 L N 0.371 121.561 121.223 -0.055 0.000 2.027 1333 L HA -0.146 4.194 4.340 -0.000 0.000 0.206 1333 L C 2.571 179.442 176.870 0.003 0.000 1.074 1333 L CA 0.764 55.577 54.840 -0.046 0.000 0.745 1333 L CB -0.329 41.639 42.059 -0.152 0.000 0.898 1333 L HN 0.093 nan 8.230 nan 0.000 0.433 1334 V N -0.844 119.070 119.914 -0.000 0.000 2.282 1334 V HA -0.366 3.754 4.120 -0.000 0.000 0.249 1334 V C 2.732 178.842 176.094 0.027 0.000 1.057 1334 V CA 2.181 64.492 62.300 0.017 0.000 1.032 1334 V CB -0.464 31.369 31.823 0.016 0.000 0.645 1334 V HN 0.511 nan 8.190 nan 0.000 0.447 1335 S N -0.693 115.020 115.700 0.022 0.000 2.348 1335 S HA -0.218 4.252 4.470 -0.000 0.000 0.221 1335 S C 2.187 176.808 174.600 0.036 0.000 1.033 1335 S CA 1.669 59.885 58.200 0.026 0.000 1.010 1335 S CB -0.244 62.966 63.200 0.016 0.000 0.891 1335 S HN 0.544 nan 8.310 nan 0.000 0.442 1336 R N 0.161 120.680 120.500 0.032 0.000 2.081 1336 R HA 0.056 4.396 4.340 -0.000 0.000 0.235 1336 R C 2.322 178.664 176.300 0.070 0.000 1.131 1336 R CA 1.719 57.844 56.100 0.040 0.000 0.960 1336 R CB -0.450 29.864 30.300 0.023 0.000 0.856 1336 R HN 0.499 nan 8.270 nan 0.000 0.436 1337 I N 0.628 121.248 120.570 0.083 0.000 2.439 1337 I HA -0.198 3.971 4.170 -0.000 0.000 0.251 1337 I C 1.978 178.179 176.117 0.140 0.000 1.139 1337 I CA 1.033 62.404 61.300 0.117 0.000 1.438 1337 I CB -0.228 37.852 38.000 0.132 0.000 1.085 1337 I HN 0.134 nan 8.210 nan 0.000 0.427 1338 S N 1.377 117.140 115.700 0.104 0.000 2.423 1338 S HA -0.066 4.404 4.470 -0.000 0.000 0.231 1338 S C 2.216 176.937 174.600 0.202 0.000 1.014 1338 S CA 0.922 59.202 58.200 0.133 0.000 0.965 1338 S CB -0.366 62.880 63.200 0.076 0.000 0.785 1338 S HN 0.489 nan 8.310 nan 0.000 0.495 1339 A N 1.987 124.892 122.820 0.142 0.000 1.872 1339 A HA 0.129 4.449 4.320 -0.000 0.000 0.214 1339 A C 2.121 179.789 177.584 0.140 0.000 1.187 1339 A CA 0.961 53.068 52.037 0.115 0.000 0.614 1339 A CB -0.709 18.333 19.000 0.070 0.000 0.826 1339 A HN 0.458 nan 8.150 nan 0.000 0.442 1340 I N -1.643 119.034 120.570 0.178 0.000 2.127 1340 I HA -0.263 3.907 4.170 -0.000 0.000 0.241 1340 I C 2.345 178.697 176.117 0.392 0.000 1.075 1340 I CA 1.803 63.248 61.300 0.242 0.000 1.334 1340 I CB -0.428 37.709 38.000 0.229 0.000 1.040 1340 I HN 0.436 nan 8.210 nan 0.000 0.405 1341 F N 1.951 122.025 119.950 0.206 0.000 2.091 1341 F HA -0.347 4.180 4.527 -0.000 0.000 0.299 1341 F C 2.868 178.795 175.800 0.212 0.000 1.103 1341 F CA 1.944 60.068 58.000 0.207 0.000 1.228 1341 F CB -0.536 38.520 39.000 0.093 0.000 0.984 1341 F HN 0.154 nan 8.300 nan 0.000 0.477 1342 S N -1.224 114.581 115.700 0.176 0.000 2.500 1342 S HA -0.181 4.289 4.470 -0.000 0.000 0.239 1342 S C 1.774 176.314 174.600 -0.100 0.000 0.989 1342 S CA 1.324 59.530 58.200 0.010 0.000 0.951 1342 S CB -1.414 61.843 63.200 0.094 0.000 0.759 1342 S HN 0.617 nan 8.310 nan 0.000 0.523 1343 T N -1.879 112.589 114.554 -0.144 0.000 3.107 1343 T HA 0.382 4.732 4.350 -0.000 0.000 0.249 1343 T C -0.007 174.347 174.700 -0.577 0.000 1.096 1343 T CA -0.633 61.258 62.100 -0.349 0.000 1.012 1343 T CB -0.581 68.036 68.868 -0.419 0.000 0.977 1343 T HN 0.278 nan 8.240 nan 0.000 0.527 1344 F N 0.804 120.629 119.950 -0.210 0.000 2.507 1344 F HA 0.588 5.115 4.527 -0.000 0.000 0.327 1344 F C 1.238 176.891 175.800 -0.244 0.000 1.068 1344 F CA -1.615 56.256 58.000 -0.215 0.000 0.965 1344 F CB 1.565 40.425 39.000 -0.235 0.000 1.192 1344 F HN -0.071 nan 8.300 nan 0.000 0.476 1345 I N -1.179 119.395 120.570 0.006 0.000 3.194 1345 I HA 0.601 4.771 4.170 -0.000 0.000 0.271 1345 I C 0.986 177.060 176.117 -0.072 0.000 1.150 1345 I CA 0.330 61.596 61.300 -0.056 0.000 1.440 1345 I CB 0.398 38.371 38.000 -0.045 0.000 1.276 1345 I HN 0.704 nan 8.210 nan 0.000 0.457 1346 G N 2.418 111.185 108.800 -0.055 0.000 2.325 1346 G HA2 -0.086 3.873 3.960 -0.000 0.000 0.214 1346 G HA3 -0.086 3.873 3.960 -0.000 0.000 0.214 1346 G C -0.061 174.753 174.900 -0.144 0.000 1.087 1346 G CA 0.098 45.119 45.100 -0.131 0.000 0.811 1346 G HN 0.610 nan 8.290 nan 0.000 0.486 1347 E N -0.323 119.842 120.200 -0.058 0.000 2.501 1347 E HA 0.235 4.585 4.350 -0.000 0.000 0.201 1347 E C 0.422 177.025 176.600 0.006 0.000 1.016 1347 E CA -0.540 55.850 56.400 -0.016 0.000 0.920 1347 E CB 0.807 30.535 29.700 0.047 0.000 1.023 1347 E HN 0.453 nan 8.360 nan 0.000 0.474 1348 H N 0.446 119.404 119.070 -0.187 0.000 2.587 1348 H HA 0.234 4.790 4.556 -0.000 0.000 0.325 1348 H C -1.375 173.722 175.328 -0.385 0.000 1.012 1348 H CA -0.816 55.137 56.048 -0.158 0.000 1.213 1348 H CB 0.645 30.371 29.762 -0.060 0.000 1.431 1348 H HN 0.031 nan 8.280 nan 0.000 0.492 1349 Y N 2.806 122.827 120.300 -0.464 0.000 2.334 1349 Y HA 0.204 4.754 4.550 -0.000 0.000 0.328 1349 Y C 0.293 175.621 175.900 -0.954 0.000 1.130 1349 Y CA -0.497 57.273 58.100 -0.550 0.000 1.163 1349 Y CB 1.533 39.715 38.460 -0.463 0.000 1.207 1349 Y HN 0.261 nan 8.280 nan 0.000 0.471 1350 V N 4.122 123.606 119.914 -0.715 0.000 2.370 1350 V HA 0.267 4.386 4.120 -0.000 0.000 0.279 1350 V C -0.557 175.080 176.094 -0.762 0.000 1.029 1350 V CA -0.790 60.950 62.300 -0.933 0.000 0.870 1350 V CB 0.369 31.905 31.823 -0.479 0.000 0.984 1350 V HN 0.766 nan 8.190 nan 0.000 0.451 1351 H N 1.925 120.783 119.070 -0.355 0.000 2.533 1351 H HA 0.608 5.164 4.556 -0.000 0.000 0.343 1351 H C -0.047 175.306 175.328 0.041 0.000 1.160 1351 H CA -0.793 55.208 56.048 -0.078 0.000 1.218 1351 H CB 1.893 31.644 29.762 -0.018 0.000 1.566 1351 H HN 0.610 nan 8.280 nan 0.000 0.522 1352 V N 1.259 121.270 119.914 0.160 0.000 2.614 1352 V HA 0.112 4.232 4.120 -0.000 0.000 0.291 1352 V C 0.440 176.612 176.094 0.130 0.000 1.049 1352 V CA -0.742 61.639 62.300 0.134 0.000 1.038 1352 V CB 1.033 32.911 31.823 0.092 0.000 0.980 1352 V HN 0.786 nan 8.190 nan 0.000 0.481 1353 N N 3.832 122.614 118.700 0.136 0.000 2.468 1353 N HA 0.156 4.896 4.740 -0.000 0.000 0.265 1353 N C 1.192 176.678 175.510 -0.040 0.000 1.199 1353 N CA 0.597 53.635 53.050 -0.019 0.000 0.928 1353 N CB 1.778 40.091 38.487 -0.290 0.000 1.059 1353 N HN 0.997 nan 8.380 nan 0.000 0.467 1354 A N 3.022 125.806 122.820 -0.060 0.000 1.908 1354 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 1354 A C 2.134 179.687 177.584 -0.052 0.000 1.181 1354 A CA 2.366 54.380 52.037 -0.039 0.000 0.627 1354 A CB -0.952 18.023 19.000 -0.041 0.000 0.818 1354 A HN 0.825 nan 8.150 nan 0.000 0.445 1355 T N -3.755 110.714 114.554 -0.142 0.000 2.962 1355 T HA -0.109 4.240 4.350 -0.000 0.000 0.270 1355 T C 1.536 176.223 174.700 -0.022 0.000 1.088 1355 T CA 1.453 63.477 62.100 -0.127 0.000 1.127 1355 T CB -0.473 68.285 68.868 -0.183 0.000 0.883 1355 T HN 0.443 nan 8.240 nan 0.000 0.493 1356 Y N 1.209 121.532 120.300 0.038 0.000 2.517 1356 Y HA 0.430 4.980 4.550 -0.000 0.000 0.281 1356 Y C 1.292 177.215 175.900 0.039 0.000 1.125 1356 Y CA -1.504 56.623 58.100 0.046 0.000 1.283 1356 Y CB -0.459 38.022 38.460 0.035 0.000 1.042 1356 Y HN 0.050 nan 8.280 nan 0.000 0.547 1357 V N 2.820 122.829 119.914 0.159 0.000 2.485 1357 V HA -0.016 4.103 4.120 -0.000 0.000 0.287 1357 V C 0.264 176.405 176.094 0.078 0.000 1.022 1357 V CA 0.066 62.425 62.300 0.098 0.000 1.067 1357 V CB -0.244 31.614 31.823 0.058 0.000 0.967 1357 V HN 0.550 nan 8.190 nan 0.000 0.479 1358 N N 2.251 120.993 118.700 0.070 0.000 2.815 1358 N HA -0.133 4.606 4.740 -0.000 0.000 0.249 1358 N C -0.717 174.833 175.510 0.067 0.000 1.114 1358 N CA 0.728 53.812 53.050 0.056 0.000 0.717 1358 N CB -1.001 37.511 38.487 0.041 0.000 1.074 1358 N HN 0.474 nan 8.380 nan 0.000 0.555 1359 V N -0.086 119.881 119.914 0.088 0.000 2.604 1359 V HA 0.404 4.524 4.120 -0.000 0.000 0.305 1359 V C 0.693 176.841 176.094 0.089 0.000 1.043 1359 V CA -0.788 61.570 62.300 0.096 0.000 0.888 1359 V CB 2.655 34.559 31.823 0.135 0.000 0.995 1359 V HN 0.004 nan 8.190 nan 0.000 0.429 1360 K N 0.000 120.448 120.400 0.079 0.000 2.780 1360 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1360 K CA 0.000 56.334 56.287 0.079 0.000 0.838 1360 K CB 0.000 32.539 32.500 0.065 0.000 1.064 1360 K HN 0.000 nan 8.250 nan 0.000 0.543