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 2rfs_1_A DATA FIRST_RESID 1067 DATA SEQUENCE QHVVIGPSSL IVHFNEVIGR GHFGCVYHGT LXXXXXXKIH CAVKSLNXXX DATA SEQUENCE XIGEVSQFLT EGIIMKDFSH PNVLSLLGIC LXXXXSPLVV LPYMKHGDLR DATA SEQUENCE NFIRNETHNP TVKDLIGFGL QVAKGMKYLA SKKFVHRDLA ARNCMLDEKF DATA SEQUENCE TVKVADFGLA RDMYDKEYYS VHXXTGAKLP VKWMALESLQ TQKFTTKSDV DATA SEQUENCE WSFGVLLWEL MTRGAPPYPD VNTFDITVYL LQGRRLLQPE YCPDPLYEVM DATA SEQUENCE LKCWHPKAEM RPSFSELVSR ISAIFSTFIG 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 1067 Q HA 0.000 nan 4.340 nan 0.000 0.214 1067 Q C 0.000 175.899 176.000 -0.169 0.000 1.003 1067 Q CA 0.000 55.725 55.803 -0.129 0.000 1.022 1067 Q CB 0.000 28.612 28.738 -0.210 0.000 1.108 1068 H N 0.732 119.798 119.070 -0.006 0.000 2.502 1068 H HA 0.050 4.605 4.556 -0.001 0.000 0.283 1068 H C 2.341 177.662 175.328 -0.012 0.000 1.015 1068 H CA 2.126 58.170 56.048 -0.008 0.000 1.298 1068 H CB 0.531 30.287 29.762 -0.010 0.000 1.411 1068 H HN 0.602 nan 8.280 nan 0.000 0.556 1069 V N -0.853 119.111 119.914 0.084 0.000 2.788 1069 V HA 0.040 4.159 4.120 -0.001 0.000 0.251 1069 V C 1.255 177.365 176.094 0.026 0.000 1.068 1069 V CA 0.130 62.453 62.300 0.038 0.000 1.090 1069 V CB -0.631 31.200 31.823 0.013 0.000 0.710 1069 V HN -0.099 nan 8.190 nan 0.000 0.467 1070 V N 2.269 122.195 119.914 0.019 0.000 2.555 1070 V HA 0.344 4.464 4.120 -0.001 0.000 0.286 1070 V C 0.097 176.198 176.094 0.011 0.000 1.044 1070 V CA -0.081 62.230 62.300 0.018 0.000 1.026 1070 V CB 0.814 32.642 31.823 0.008 0.000 0.981 1070 V HN 0.323 nan 8.190 nan 0.000 0.480 1071 I N 3.470 124.050 120.570 0.016 0.000 2.377 1071 I HA 0.471 4.641 4.170 -0.001 0.000 0.293 1071 I C 1.051 177.173 176.117 0.008 0.000 0.987 1071 I CA -0.341 60.965 61.300 0.010 0.000 1.185 1071 I CB 1.570 39.577 38.000 0.012 0.000 1.341 1071 I HN 0.738 nan 8.210 nan 0.000 0.455 1072 G N 6.505 115.306 108.800 0.002 0.000 2.380 1072 G HA2 0.159 4.118 3.960 -0.001 0.000 0.242 1072 G HA3 0.159 4.118 3.960 -0.001 0.000 0.242 1072 G C -1.372 173.529 174.900 0.002 0.000 1.298 1072 G CA -0.813 44.287 45.100 0.000 0.000 0.878 1072 G HN 0.483 nan 8.290 nan 0.000 0.542 1073 P HA -0.150 nan 4.420 nan 0.000 0.223 1073 P C 1.827 179.128 177.300 0.000 0.000 1.144 1073 P CA 1.511 64.614 63.100 0.004 0.000 0.783 1073 P CB 0.181 31.885 31.700 0.006 0.000 0.771 1074 S N -0.954 114.745 115.700 -0.001 0.000 2.406 1074 S HA -0.045 4.424 4.470 -0.001 0.000 0.228 1074 S C 2.054 176.651 174.600 -0.004 0.000 1.020 1074 S CA 1.049 59.248 58.200 -0.002 0.000 0.965 1074 S CB -1.185 62.014 63.200 -0.002 0.000 0.798 1074 S HN 0.079 nan 8.310 nan 0.000 0.488 1075 S N 1.041 116.738 115.700 -0.005 0.000 2.436 1075 S HA 0.276 4.745 4.470 -0.001 0.000 0.228 1075 S C 0.311 174.903 174.600 -0.013 0.000 1.014 1075 S CA 0.069 58.265 58.200 -0.006 0.000 0.950 1075 S CB -0.312 62.886 63.200 -0.003 0.000 0.784 1075 S HN 0.495 nan 8.310 nan 0.000 0.504 1076 L N 1.662 122.872 121.223 -0.021 0.000 2.307 1076 L HA 0.581 4.921 4.340 -0.001 0.000 0.284 1076 L C -1.274 175.554 176.870 -0.070 0.000 1.023 1076 L CA -0.429 54.385 54.840 -0.044 0.000 0.810 1076 L CB 0.998 43.033 42.059 -0.040 0.000 1.231 1076 L HN 0.018 nan 8.230 nan 0.000 0.423 1077 I N 5.790 126.286 120.570 -0.122 0.000 2.410 1077 I HA 0.401 4.571 4.170 -0.001 0.000 0.286 1077 I C -0.762 175.083 176.117 -0.453 0.000 1.009 1077 I CA -0.732 60.453 61.300 -0.193 0.000 1.111 1077 I CB 1.855 39.795 38.000 -0.100 0.000 1.262 1077 I HN 0.363 nan 8.210 nan 0.000 0.443 1078 V N 6.688 126.309 119.914 -0.489 0.000 2.357 1078 V HA 0.416 4.536 4.120 -0.001 0.000 0.284 1078 V C -0.583 174.964 176.094 -0.912 0.000 1.018 1078 V CA -0.357 61.498 62.300 -0.742 0.000 0.841 1078 V CB 0.851 32.258 31.823 -0.692 0.000 0.991 1078 V HN 0.728 nan 8.190 nan 0.000 0.437 1079 H N 7.096 125.923 119.070 -0.404 0.000 2.872 1079 H HA 0.296 4.851 4.556 -0.001 0.000 0.273 1079 H C 0.101 175.247 175.328 -0.303 0.000 1.205 1079 H CA -0.248 55.643 56.048 -0.262 0.000 1.342 1079 H CB 0.272 29.988 29.762 -0.076 0.000 1.469 1079 H HN 0.721 nan 8.280 nan 0.000 0.487 1080 F N 1.257 121.118 119.950 -0.149 0.000 2.502 1080 F HA -0.166 4.361 4.527 -0.001 0.000 0.298 1080 F C 2.171 177.965 175.800 -0.009 0.000 1.111 1080 F CA 0.231 57.993 58.000 -0.396 0.000 1.445 1080 F CB -0.009 38.712 39.000 -0.466 0.000 1.081 1080 F HN 0.642 nan 8.300 nan 0.000 0.558 1081 N N 1.611 120.433 118.700 0.203 0.000 2.244 1081 N HA -0.175 4.565 4.740 -0.001 0.000 0.183 1081 N C 0.020 175.653 175.510 0.205 0.000 1.016 1081 N CA 0.891 54.047 53.050 0.177 0.000 0.866 1081 N CB -0.684 37.870 38.487 0.110 0.000 0.980 1081 N HN 0.462 nan 8.380 nan 0.000 0.430 1082 E N 1.463 121.817 120.200 0.256 0.000 2.063 1082 E HA 0.393 4.743 4.350 -0.001 0.000 0.265 1082 E C -0.912 175.943 176.600 0.425 0.000 0.919 1082 E CA -0.741 55.844 56.400 0.308 0.000 0.756 1082 E CB 1.630 31.483 29.700 0.255 0.000 1.120 1082 E HN -0.148 nan 8.360 nan 0.000 0.414 1083 V N 5.116 125.223 119.914 0.322 0.000 2.461 1083 V HA 0.097 4.216 4.120 -0.001 0.000 0.275 1083 V C 1.305 177.449 176.094 0.083 0.000 1.047 1083 V CA -0.186 62.229 62.300 0.193 0.000 0.955 1083 V CB 0.789 32.697 31.823 0.142 0.000 0.988 1083 V HN 0.773 nan 8.190 nan 0.000 0.471 1084 I N 3.022 123.551 120.570 -0.067 0.000 2.400 1084 I HA 0.251 4.421 4.170 -0.001 0.000 0.248 1084 I C 1.184 177.247 176.117 -0.091 0.000 1.109 1084 I CA 1.210 62.436 61.300 -0.123 0.000 1.425 1084 I CB 0.125 37.973 38.000 -0.254 0.000 1.094 1084 I HN 0.765 nan 8.210 nan 0.000 0.425 1085 G N 0.535 109.266 108.800 -0.114 0.000 2.667 1085 G HA2 0.498 4.457 3.960 -0.001 0.000 0.294 1085 G HA3 0.498 4.457 3.960 -0.001 0.000 0.294 1085 G C -1.267 173.660 174.900 0.044 0.000 1.467 1085 G CA -0.799 44.282 45.100 -0.031 0.000 0.852 1085 G HN -0.068 nan 8.290 nan 0.000 0.521 1086 R N 0.505 121.081 120.500 0.127 0.000 2.295 1086 R HA 0.602 4.942 4.340 -0.001 0.000 0.324 1086 R C 0.610 176.990 176.300 0.133 0.000 0.968 1086 R CA -0.390 55.768 56.100 0.097 0.000 0.837 1086 R CB 1.976 32.302 30.300 0.044 0.000 1.133 1086 R HN 0.629 nan 8.270 nan 0.000 0.450 1087 G N -0.043 108.749 108.800 -0.014 0.000 2.583 1087 G HA2 0.001 3.961 3.960 -0.001 0.000 0.280 1087 G HA3 0.001 3.961 3.960 -0.001 0.000 0.280 1087 G C 0.236 174.993 174.900 -0.239 0.000 1.376 1087 G CA -0.309 44.556 45.100 -0.391 0.000 1.043 1087 G HN 0.699 nan 8.290 nan 0.000 0.538 1088 H N -0.976 117.846 119.070 -0.413 0.000 2.329 1088 H HA 0.069 4.625 4.556 -0.001 0.000 0.306 1088 H C 1.790 176.823 175.328 -0.491 0.000 1.062 1088 H CA 1.326 57.068 56.048 -0.510 0.000 1.364 1088 H CB 0.154 29.439 29.762 -0.796 0.000 1.409 1088 H HN 0.380 nan 8.280 nan 0.000 0.519 1089 F N 0.234 120.120 119.950 -0.105 0.000 2.754 1089 F HA 0.280 4.806 4.527 -0.001 0.000 0.297 1089 F C 1.443 177.200 175.800 -0.071 0.000 1.122 1089 F CA 0.468 58.413 58.000 -0.091 0.000 1.400 1089 F CB 0.884 39.891 39.000 0.012 0.000 1.117 1089 F HN 0.232 nan 8.300 nan 0.000 0.587 1090 G N -1.722 107.121 108.800 0.072 0.000 2.650 1090 G HA2 0.460 4.419 3.960 -0.001 0.000 0.310 1090 G HA3 0.460 4.419 3.960 -0.001 0.000 0.310 1090 G C -2.116 172.808 174.900 0.040 0.000 1.270 1090 G CA -0.537 44.608 45.100 0.076 0.000 0.810 1090 G HN 0.004 nan 8.290 nan 0.000 0.493 1091 C N -0.741 118.587 119.300 0.047 0.000 3.082 1091 C HA 0.767 5.226 4.460 -0.001 0.000 0.324 1091 C C -1.025 173.801 174.990 -0.273 0.000 1.210 1091 C CA -0.381 58.574 59.018 -0.105 0.000 1.366 1091 C CB 0.852 28.498 27.740 -0.157 0.000 1.756 1091 C HN 1.079 nan 8.230 nan 0.000 0.485 1092 V N 5.835 125.518 119.914 -0.385 0.000 2.555 1092 V HA 0.758 4.877 4.120 -0.001 0.000 0.302 1092 V C -1.486 174.278 176.094 -0.549 0.000 1.038 1092 V CA -0.098 61.993 62.300 -0.349 0.000 0.887 1092 V CB 1.627 33.355 31.823 -0.158 0.000 0.991 1092 V HN 0.881 nan 8.190 nan 0.000 0.434 1093 Y N 4.178 124.456 120.300 -0.037 0.000 2.570 1093 Y HA 0.576 5.125 4.550 -0.001 0.000 0.345 1093 Y C 0.545 176.390 175.900 -0.093 0.000 1.014 1093 Y CA -1.062 57.005 58.100 -0.055 0.000 1.063 1093 Y CB 1.218 39.619 38.460 -0.099 0.000 1.272 1093 Y HN 0.574 nan 8.280 nan 0.000 0.477 1094 H N 0.671 119.861 119.070 0.201 0.000 2.972 1094 H HA 0.336 4.891 4.556 -0.001 0.000 0.343 1094 H C 0.170 175.553 175.328 0.092 0.000 1.054 1094 H CA 0.898 57.066 56.048 0.200 0.000 1.412 1094 H CB 0.765 30.703 29.762 0.293 0.000 1.385 1094 H HN 0.911 nan 8.280 nan 0.000 0.600 1095 G N 0.916 109.821 108.800 0.175 0.000 2.695 1095 G HA2 0.431 4.390 3.960 -0.001 0.000 0.290 1095 G HA3 0.431 4.390 3.960 -0.001 0.000 0.290 1095 G C -1.157 173.763 174.900 0.033 0.000 1.410 1095 G CA -0.563 44.453 45.100 -0.140 0.000 0.844 1095 G HN 0.494 nan 8.290 nan 0.000 0.478 1096 T N 0.364 114.858 114.554 -0.100 0.000 2.848 1096 T HA 0.607 4.956 4.350 -0.001 0.000 0.285 1096 T C -0.772 173.920 174.700 -0.015 0.000 0.995 1096 T CA -0.253 61.860 62.100 0.022 0.000 0.970 1096 T CB 1.786 70.699 68.868 0.076 0.000 0.976 1096 T HN 0.478 nan 8.240 nan 0.000 0.441 1105 I N -1.297 119.294 120.570 0.035 0.000 2.465 1105 I HA 0.422 4.592 4.170 -0.001 0.000 0.291 1105 I C -0.060 176.124 176.117 0.111 0.000 1.014 1105 I CA -0.772 60.566 61.300 0.063 0.000 1.093 1105 I CB 1.812 39.842 38.000 0.050 0.000 1.267 1105 I HN 0.478 nan 8.210 nan 0.000 0.431 1106 H N 6.229 125.298 119.070 -0.002 0.000 2.803 1106 H HA 0.459 5.014 4.556 -0.001 0.000 0.330 1106 H C -0.481 174.868 175.328 0.036 0.000 1.057 1106 H CA -0.512 55.519 56.048 -0.029 0.000 1.458 1106 H CB 0.920 30.605 29.762 -0.128 0.000 1.470 1106 H HN 0.998 nan 8.280 nan 0.000 0.560 1107 C N 3.024 122.389 119.300 0.109 0.000 3.213 1107 C HA 0.901 5.361 4.460 -0.001 0.000 0.319 1107 C C -0.472 174.504 174.990 -0.024 0.000 1.386 1107 C CA -0.719 58.308 59.018 0.015 0.000 1.494 1107 C CB 0.788 28.543 27.740 0.025 0.000 1.905 1107 C HN 0.930 nan 8.230 nan 0.000 0.456 1108 A N 0.662 123.468 122.820 -0.024 0.000 2.331 1108 A HA 0.776 5.095 4.320 -0.001 0.000 0.320 1108 A C -0.918 176.650 177.584 -0.028 0.000 1.138 1108 A CA -0.437 51.574 52.037 -0.043 0.000 0.790 1108 A CB 0.940 19.893 19.000 -0.078 0.000 1.206 1108 A HN 1.401 nan 8.150 nan 0.000 0.470 1109 V N 3.210 123.123 119.914 -0.002 0.000 2.378 1109 V HA 0.329 4.449 4.120 -0.001 0.000 0.288 1109 V C 0.168 176.314 176.094 0.087 0.000 1.016 1109 V CA -0.680 61.641 62.300 0.036 0.000 0.840 1109 V CB 1.397 33.231 31.823 0.017 0.000 0.994 1109 V HN 0.890 nan 8.190 nan 0.000 0.431 1110 K N 3.051 123.495 120.400 0.073 0.000 2.276 1110 K HA 0.444 4.763 4.320 -0.001 0.000 0.285 1110 K C 0.048 176.749 176.600 0.169 0.000 1.062 1110 K CA 0.035 56.381 56.287 0.098 0.000 0.918 1110 K CB 1.078 33.626 32.500 0.079 0.000 1.055 1110 K HN 0.698 nan 8.250 nan 0.000 0.477 1111 S N 3.793 119.629 115.700 0.227 0.000 2.616 1111 S HA 0.429 4.898 4.470 -0.001 0.000 0.277 1111 S C -0.239 174.472 174.600 0.185 0.000 1.234 1111 S CA -0.733 57.627 58.200 0.267 0.000 1.028 1111 S CB 0.514 63.994 63.200 0.465 0.000 0.988 1111 S HN 0.609 nan 8.310 nan 0.000 0.522 1112 L N 5.216 126.528 121.223 0.148 0.000 2.784 1112 L HA 0.344 4.683 4.340 -0.001 0.000 0.241 1112 L C 0.683 177.601 176.870 0.081 0.000 1.352 1112 L CA -0.510 54.399 54.840 0.115 0.000 0.911 1112 L CB 0.059 42.176 42.059 0.097 0.000 1.227 1112 L HN 0.692 nan 8.230 nan 0.000 0.501 1119 G N 0.435 109.224 108.800 -0.018 0.000 2.555 1119 G HA2 0.355 4.315 3.960 -0.001 0.000 0.686 1119 G HA3 0.355 4.315 3.960 -0.001 0.000 0.686 1119 G C -0.577 174.324 174.900 0.003 0.000 1.275 1119 G CA 0.051 45.150 45.100 -0.002 0.000 0.871 1119 G HN 1.559 nan 8.290 nan 0.000 0.603 1120 E N -0.796 119.420 120.200 0.026 0.000 2.344 1120 E HA 0.393 4.743 4.350 -0.001 0.000 0.270 1120 E C 1.485 178.121 176.600 0.060 0.000 1.021 1120 E CA -0.076 56.343 56.400 0.031 0.000 0.887 1120 E CB 1.088 30.809 29.700 0.035 0.000 0.997 1120 E HN 0.445 nan 8.360 nan 0.000 0.429 1121 V N 3.449 123.380 119.914 0.027 0.000 2.453 1121 V HA -0.203 3.917 4.120 -0.001 0.000 0.247 1121 V C 2.207 178.363 176.094 0.103 0.000 1.048 1121 V CA 1.782 64.104 62.300 0.037 0.000 1.049 1121 V CB -0.354 31.455 31.823 -0.023 0.000 0.672 1121 V HN 0.791 nan 8.190 nan 0.000 0.457 1122 S N -0.212 115.528 115.700 0.067 0.000 2.359 1122 S HA -0.315 4.155 4.470 -0.001 0.000 0.224 1122 S C 2.056 176.700 174.600 0.074 0.000 1.035 1122 S CA 2.150 60.386 58.200 0.061 0.000 1.018 1122 S CB -0.218 63.004 63.200 0.036 0.000 0.876 1122 S HN 0.543 nan 8.310 nan 0.000 0.448 1123 Q N -0.404 119.444 119.800 0.081 0.000 2.230 1123 Q HA 0.148 4.487 4.340 -0.001 0.000 0.202 1123 Q C 1.606 177.658 176.000 0.087 0.000 0.963 1123 Q CA 1.176 57.020 55.803 0.068 0.000 0.866 1123 Q CB -0.502 28.270 28.738 0.056 0.000 0.931 1123 Q HN 0.707 nan 8.270 nan 0.000 0.452 1124 F N -0.406 119.535 119.950 -0.014 0.000 2.084 1124 F HA -0.131 4.396 4.527 -0.001 0.000 0.296 1124 F C 1.483 177.272 175.800 -0.018 0.000 1.111 1124 F CA 1.271 59.261 58.000 -0.018 0.000 1.224 1124 F CB -0.051 38.938 39.000 -0.018 0.000 0.991 1124 F HN 0.043 nan 8.300 nan 0.000 0.471 1125 L N -0.245 121.104 121.223 0.209 0.000 2.141 1125 L HA -0.191 4.149 4.340 -0.001 0.000 0.209 1125 L C 2.453 179.319 176.870 -0.007 0.000 1.094 1125 L CA 1.737 56.639 54.840 0.104 0.000 0.763 1125 L CB -0.996 41.136 42.059 0.123 0.000 0.908 1125 L HN 0.310 nan 8.230 nan 0.000 0.437 1126 T N -3.756 110.795 114.554 -0.005 0.000 2.985 1126 T HA -0.156 4.193 4.350 -0.001 0.000 0.266 1126 T C 1.660 176.316 174.700 -0.073 0.000 1.076 1126 T CA 0.961 63.044 62.100 -0.029 0.000 1.135 1126 T CB -0.105 68.760 68.868 -0.005 0.000 0.890 1126 T HN 0.189 nan 8.240 nan 0.000 0.480 1127 E N 1.797 121.935 120.200 -0.104 0.000 2.106 1127 E HA 0.064 4.413 4.350 -0.001 0.000 0.192 1127 E C 2.340 178.810 176.600 -0.216 0.000 0.984 1127 E CA 1.209 57.524 56.400 -0.142 0.000 0.806 1127 E CB -0.907 28.696 29.700 -0.161 0.000 0.750 1127 E HN 0.576 nan 8.360 nan 0.000 0.458 1128 G N 0.110 108.758 108.800 -0.253 0.000 2.484 1128 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.218 1128 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.218 1128 G C 1.513 176.306 174.900 -0.178 0.000 1.130 1128 G CA 0.640 45.596 45.100 -0.241 0.000 0.784 1128 G HN 0.267 nan 8.290 nan 0.000 0.543 1129 I N 0.830 121.312 120.570 -0.147 0.000 2.333 1129 I HA -0.062 4.108 4.170 -0.001 0.000 0.246 1129 I C 2.413 178.410 176.117 -0.201 0.000 1.106 1129 I CA 0.305 61.532 61.300 -0.122 0.000 1.411 1129 I CB -0.055 37.904 38.000 -0.069 0.000 1.082 1129 I HN 0.032 nan 8.210 nan 0.000 0.420 1130 I N 0.361 120.773 120.570 -0.263 0.000 2.163 1130 I HA -0.341 3.828 4.170 -0.001 0.000 0.243 1130 I C 2.549 178.131 176.117 -0.891 0.000 1.085 1130 I CA 1.974 62.997 61.300 -0.462 0.000 1.347 1130 I CB -1.056 36.721 38.000 -0.372 0.000 1.044 1130 I HN 0.347 nan 8.210 nan 0.000 0.408 1131 M N 0.234 119.432 119.600 -0.671 0.000 2.099 1131 M HA -0.197 4.282 4.480 -0.001 0.000 0.262 1131 M C 2.298 178.413 176.300 -0.308 0.000 1.067 1131 M CA 1.677 56.633 55.300 -0.572 0.000 1.124 1131 M CB -0.154 32.278 32.600 -0.279 0.000 1.353 1131 M HN -0.013 nan 8.290 nan 0.000 0.410 1132 K N 0.400 120.669 120.400 -0.218 0.000 2.147 1132 K HA -0.164 4.156 4.320 -0.001 0.000 0.205 1132 K C 0.957 177.517 176.600 -0.066 0.000 1.049 1132 K CA 1.523 57.749 56.287 -0.103 0.000 0.936 1132 K CB -0.334 32.120 32.500 -0.078 0.000 0.722 1132 K HN 0.422 nan 8.250 nan 0.000 0.446 1133 D N -0.584 119.743 120.400 -0.121 0.000 2.347 1133 D HA -0.032 4.607 4.640 -0.001 0.000 0.213 1133 D C -0.012 176.386 176.300 0.164 0.000 0.985 1133 D CA 0.188 54.174 54.000 -0.023 0.000 0.879 1133 D CB -0.060 40.706 40.800 -0.057 0.000 0.919 1133 D HN -0.039 nan 8.370 nan 0.000 0.526 1134 F N 1.206 121.197 119.950 0.069 0.000 2.502 1134 F HA 0.249 4.775 4.527 -0.001 0.000 0.371 1134 F C 0.912 176.752 175.800 0.067 0.000 1.083 1134 F CA -0.858 57.245 58.000 0.171 0.000 1.174 1134 F CB 0.506 39.591 39.000 0.142 0.000 1.096 1134 F HN -0.362 nan 8.300 nan 0.000 0.545 1135 S N 4.435 120.249 115.700 0.190 0.000 2.745 1135 S HA 0.360 4.829 4.470 -0.001 0.000 0.283 1135 S C -1.337 173.046 174.600 -0.361 0.000 1.170 1135 S CA -0.351 57.817 58.200 -0.055 0.000 1.119 1135 S CB 0.013 63.218 63.200 0.009 0.000 1.035 1135 S HN 0.724 nan 8.310 nan 0.000 0.483 1136 H N 4.947 123.703 119.070 -0.524 0.000 3.038 1136 H HA 0.348 4.904 4.556 -0.001 0.000 0.362 1136 H C -2.462 172.686 175.328 -0.300 0.000 1.167 1136 H CA -1.405 54.292 56.048 -0.585 0.000 1.197 1136 H CB 2.521 31.641 29.762 -1.070 0.000 1.840 1136 H HN 0.327 nan 8.280 nan 0.000 0.540 1137 P HA -0.068 nan 4.420 nan 0.000 0.221 1137 P C -0.013 177.256 177.300 -0.052 0.000 1.145 1137 P CA 1.110 64.071 63.100 -0.232 0.000 0.795 1137 P CB 0.391 31.920 31.700 -0.284 0.000 0.775 1138 N N -1.047 117.756 118.700 0.173 0.000 2.238 1138 N HA 0.162 4.901 4.740 -0.001 0.000 0.222 1138 N C -0.723 174.827 175.510 0.067 0.000 1.133 1138 N CA -0.194 52.938 53.050 0.136 0.000 0.854 1138 N CB 0.755 39.330 38.487 0.146 0.000 1.041 1138 N HN -0.075 nan 8.380 nan 0.000 0.510 1139 V N 1.476 121.424 119.914 0.056 0.000 2.540 1139 V HA 0.275 4.394 4.120 -0.001 0.000 0.302 1139 V C -0.290 175.872 176.094 0.113 0.000 1.035 1139 V CA -1.064 61.265 62.300 0.048 0.000 0.873 1139 V CB 2.181 33.959 31.823 -0.075 0.000 0.992 1139 V HN 0.108 nan 8.190 nan 0.000 0.428 1140 L N 5.362 126.710 121.223 0.209 0.000 2.513 1140 L HA 0.284 4.623 4.340 -0.001 0.000 0.272 1140 L C 0.856 177.805 176.870 0.131 0.000 1.187 1140 L CA 0.852 55.760 54.840 0.113 0.000 0.895 1140 L CB 0.830 42.910 42.059 0.034 0.000 1.147 1140 L HN 0.913 nan 8.230 nan 0.000 0.483 1141 S N 4.973 120.702 115.700 0.048 0.000 2.617 1141 S HA 0.502 4.971 4.470 -0.001 0.000 0.269 1141 S C -0.394 174.193 174.600 -0.021 0.000 1.292 1141 S CA -0.975 57.251 58.200 0.043 0.000 1.010 1141 S CB 1.438 64.647 63.200 0.016 0.000 0.944 1141 S HN 0.636 nan 8.310 nan 0.000 0.536 1142 L N 2.482 123.687 121.223 -0.030 0.000 2.264 1142 L HA 0.429 4.768 4.340 -0.001 0.000 0.289 1142 L C 0.555 177.401 176.870 -0.040 0.000 1.044 1142 L CA -0.384 54.415 54.840 -0.069 0.000 0.807 1142 L CB 0.186 42.184 42.059 -0.102 0.000 1.192 1142 L HN 0.895 nan 8.230 nan 0.000 0.425 1143 L N 4.561 125.763 121.223 -0.035 0.000 2.027 1143 L HA 0.237 4.576 4.340 -0.001 0.000 0.206 1143 L C 1.207 178.071 176.870 -0.011 0.000 1.074 1143 L CA 1.091 55.922 54.840 -0.017 0.000 0.745 1143 L CB -0.626 41.426 42.059 -0.012 0.000 0.898 1143 L HN 0.881 nan 8.230 nan 0.000 0.433 1144 G N -1.152 107.639 108.800 -0.016 0.000 2.323 1144 G HA2 0.346 4.306 3.960 -0.001 0.000 0.291 1144 G HA3 0.346 4.306 3.960 -0.001 0.000 0.291 1144 G C -1.835 173.069 174.900 0.006 0.000 1.278 1144 G CA -0.792 44.304 45.100 -0.006 0.000 0.860 1144 G HN -0.087 nan 8.290 nan 0.000 0.504 1145 I N 0.031 120.620 120.570 0.030 0.000 2.465 1145 I HA 0.476 4.646 4.170 -0.001 0.000 0.291 1145 I C -0.328 175.830 176.117 0.067 0.000 1.014 1145 I CA -0.719 60.627 61.300 0.077 0.000 1.093 1145 I CB 2.093 40.174 38.000 0.136 0.000 1.267 1145 I HN 0.559 nan 8.210 nan 0.000 0.431 1146 C N 7.863 127.204 119.300 0.069 0.000 2.255 1146 C HA 0.652 5.111 4.460 -0.001 0.000 0.326 1146 C C 0.115 175.133 174.990 0.048 0.000 1.258 1146 C CA -0.461 58.586 59.018 0.047 0.000 1.676 1146 C CB -0.745 27.016 27.740 0.035 0.000 2.314 1146 C HN 0.684 nan 8.230 nan 0.000 0.509 1153 P HA 0.466 nan 4.420 nan 0.000 0.269 1153 P C -1.124 176.211 177.300 0.057 0.000 1.209 1153 P CA -0.356 62.701 63.100 -0.073 0.000 0.776 1153 P CB 0.275 31.813 31.700 -0.271 0.000 0.876 1154 L N 1.769 123.056 121.223 0.107 0.000 2.313 1154 L HA 0.383 4.722 4.340 -0.001 0.000 0.283 1154 L C -0.430 176.524 176.870 0.140 0.000 1.013 1154 L CA -1.037 53.883 54.840 0.133 0.000 0.816 1154 L CB 1.817 43.941 42.059 0.109 0.000 1.236 1154 L HN 0.064 nan 8.230 nan 0.000 0.419 1155 V N 4.361 124.356 119.914 0.135 0.000 2.364 1155 V HA 0.260 4.380 4.120 -0.001 0.000 0.272 1155 V C 0.119 176.232 176.094 0.031 0.000 1.036 1155 V CA -0.618 61.730 62.300 0.080 0.000 0.880 1155 V CB 1.519 33.376 31.823 0.056 0.000 0.991 1155 V HN 0.406 nan 8.190 nan 0.000 0.460 1156 V N 7.375 127.294 119.914 0.009 0.000 2.383 1156 V HA 0.514 4.633 4.120 -0.001 0.000 0.275 1156 V C -0.078 175.998 176.094 -0.030 0.000 1.036 1156 V CA -0.299 61.997 62.300 -0.007 0.000 0.889 1156 V CB 1.111 32.932 31.823 -0.002 0.000 0.985 1156 V HN 0.647 nan 8.190 nan 0.000 0.459 1157 L N 6.695 127.895 121.223 -0.039 0.000 2.354 1157 L HA 0.615 4.954 4.340 -0.001 0.000 0.264 1157 L C -2.461 174.381 176.870 -0.046 0.000 1.008 1157 L CA -2.175 52.629 54.840 -0.060 0.000 0.819 1157 L CB 2.831 44.836 42.059 -0.090 0.000 1.339 1157 L HN 0.360 nan 8.230 nan 0.000 0.420 1158 P HA -0.084 nan 4.420 nan 0.000 0.268 1158 P C -1.228 176.047 177.300 -0.042 0.000 1.208 1158 P CA 0.084 63.165 63.100 -0.032 0.000 0.777 1158 P CB 0.400 32.074 31.700 -0.043 0.000 0.875 1159 Y N 2.699 122.890 120.300 -0.181 0.000 2.359 1159 Y HA 0.238 4.787 4.550 -0.001 0.000 0.330 1159 Y C 0.232 176.012 175.900 -0.199 0.000 1.143 1159 Y CA -0.235 57.701 58.100 -0.273 0.000 1.318 1159 Y CB 0.609 38.779 38.460 -0.484 0.000 1.234 1159 Y HN 0.161 nan 8.280 nan 0.000 0.522 1160 M N 7.623 126.721 119.600 -0.836 0.000 2.023 1160 M HA 0.154 4.633 4.480 -0.001 0.000 0.325 1160 M C 0.761 176.515 176.300 -0.910 0.000 0.963 1160 M CA -0.384 54.520 55.300 -0.660 0.000 0.928 1160 M CB 1.445 33.812 32.600 -0.388 0.000 1.429 1160 M HN 0.834 nan 8.290 nan 0.000 0.404 1161 K N 2.072 121.990 120.400 -0.803 0.000 2.044 1161 K HA -0.164 4.155 4.320 -0.001 0.000 0.210 1161 K C 0.975 177.248 176.600 -0.545 0.000 1.049 1161 K CA 1.653 57.525 56.287 -0.691 0.000 0.927 1161 K CB 0.263 32.430 32.500 -0.554 0.000 0.713 1161 K HN 0.614 nan 8.250 nan 0.000 0.443 1162 H N -0.575 118.371 119.070 -0.207 0.000 2.529 1162 H HA 0.159 4.715 4.556 -0.001 0.000 0.277 1162 H C 1.095 176.436 175.328 0.021 0.000 1.004 1162 H CA 0.523 56.571 56.048 -0.000 0.000 1.167 1162 H CB 0.475 30.283 29.762 0.076 0.000 1.445 1162 H HN 0.511 nan 8.280 nan 0.000 0.554 1163 G N 2.138 110.903 108.800 -0.059 0.000 2.562 1163 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.250 1163 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.250 1163 G C -0.160 174.710 174.900 -0.051 0.000 1.269 1163 G CA 0.001 45.065 45.100 -0.061 0.000 0.919 1163 G HN 0.498 nan 8.290 nan 0.000 0.574 1164 D N 0.396 120.784 120.400 -0.019 0.000 2.313 1164 D HA 0.330 4.970 4.640 -0.001 0.000 0.247 1164 D C 1.674 177.976 176.300 0.004 0.000 1.094 1164 D CA -0.253 53.729 54.000 -0.030 0.000 0.925 1164 D CB 1.708 42.497 40.800 -0.019 0.000 1.188 1164 D HN 0.572 nan 8.370 nan 0.000 0.430 1165 L N 1.783 122.971 121.223 -0.059 0.000 2.079 1165 L HA -0.166 4.173 4.340 -0.001 0.000 0.210 1165 L C 2.506 179.408 176.870 0.053 0.000 1.081 1165 L CA 1.629 56.417 54.840 -0.087 0.000 0.752 1165 L CB -0.709 41.265 42.059 -0.142 0.000 0.896 1165 L HN 0.541 nan 8.230 nan 0.000 0.433 1166 R N -0.392 120.146 120.500 0.064 0.000 2.062 1166 R HA -0.165 4.174 4.340 -0.001 0.000 0.231 1166 R C 2.123 178.494 176.300 0.119 0.000 1.136 1166 R CA 2.047 58.204 56.100 0.094 0.000 0.948 1166 R CB -0.412 29.934 30.300 0.078 0.000 0.845 1166 R HN 0.543 nan 8.270 nan 0.000 0.430 1167 N N -0.462 118.310 118.700 0.120 0.000 2.166 1167 N HA -0.183 4.557 4.740 -0.001 0.000 0.186 1167 N C 1.592 177.200 175.510 0.163 0.000 1.019 1167 N CA 1.215 54.342 53.050 0.128 0.000 0.856 1167 N CB -0.181 38.376 38.487 0.115 0.000 0.993 1167 N HN 0.136 nan 8.380 nan 0.000 0.426 1168 F N 2.098 122.077 119.950 0.048 0.000 2.126 1168 F HA -0.115 4.411 4.527 -0.001 0.000 0.299 1168 F C 1.907 177.761 175.800 0.091 0.000 1.096 1168 F CA 1.168 59.206 58.000 0.064 0.000 1.255 1168 F CB -0.120 38.834 39.000 -0.077 0.000 0.997 1168 F HN 0.030 nan 8.300 nan 0.000 0.479 1169 I N -2.054 118.670 120.570 0.257 0.000 3.251 1169 I HA 0.021 4.190 4.170 -0.001 0.000 0.277 1169 I C 1.792 177.958 176.117 0.081 0.000 1.268 1169 I CA 0.752 62.163 61.300 0.186 0.000 1.449 1169 I CB -0.456 37.667 38.000 0.205 0.000 1.083 1169 I HN 0.055 nan 8.210 nan 0.000 0.464 1170 R N 1.054 121.596 120.500 0.070 0.000 2.254 1170 R HA 0.136 4.476 4.340 -0.001 0.000 0.195 1170 R C 0.696 177.003 176.300 0.012 0.000 0.957 1170 R CA -0.198 55.929 56.100 0.044 0.000 1.024 1170 R CB -0.173 30.166 30.300 0.064 0.000 0.952 1170 R HN 0.306 nan 8.270 nan 0.000 0.484 1171 N N 2.327 121.022 118.700 -0.009 0.000 2.447 1171 N HA -0.095 4.644 4.740 -0.001 0.000 0.263 1171 N C 0.256 175.706 175.510 -0.100 0.000 1.226 1171 N CA 0.626 53.639 53.050 -0.063 0.000 0.906 1171 N CB 0.883 39.318 38.487 -0.087 0.000 1.060 1171 N HN 0.196 nan 8.380 nan 0.000 0.468 1172 E N 1.603 121.745 120.200 -0.096 0.000 2.427 1172 E HA -0.060 4.289 4.350 -0.001 0.000 0.196 1172 E C 0.785 177.304 176.600 -0.135 0.000 1.028 1172 E CA 0.825 57.171 56.400 -0.089 0.000 0.864 1172 E CB 0.216 29.881 29.700 -0.058 0.000 0.813 1172 E HN 0.654 nan 8.360 nan 0.000 0.514 1173 T N 0.077 114.490 114.554 -0.235 0.000 2.942 1173 T HA -0.036 4.313 4.350 -0.001 0.000 0.265 1173 T C 0.665 175.152 174.700 -0.356 0.000 1.062 1173 T CA 0.675 62.584 62.100 -0.318 0.000 1.139 1173 T CB 0.002 68.603 68.868 -0.447 0.000 0.883 1173 T HN 0.165 nan 8.240 nan 0.000 0.468 1174 H N 2.871 121.829 119.070 -0.187 0.000 2.481 1174 H HA 0.388 4.943 4.556 -0.001 0.000 0.339 1174 H C 0.074 175.306 175.328 -0.160 0.000 1.131 1174 H CA -0.622 55.282 56.048 -0.240 0.000 1.301 1174 H CB 0.651 30.082 29.762 -0.553 0.000 1.476 1174 H HN 0.253 nan 8.280 nan 0.000 0.529 1175 N N 1.682 120.389 118.700 0.013 0.000 2.813 1175 N HA 0.150 4.889 4.740 -0.001 0.000 0.282 1175 N C -2.898 172.596 175.510 -0.026 0.000 1.748 1175 N CA -1.516 51.520 53.050 -0.023 0.000 0.860 1175 N CB 0.475 38.937 38.487 -0.041 0.000 1.204 1175 N HN 0.257 nan 8.380 nan 0.000 0.490 1176 P HA 0.145 nan 4.420 nan 0.000 0.271 1176 P C 0.339 177.587 177.300 -0.086 0.000 1.216 1176 P CA 0.082 63.178 63.100 -0.007 0.000 0.776 1176 P CB 0.865 32.651 31.700 0.143 0.000 0.881 1177 T N -1.596 112.875 114.554 -0.139 0.000 2.824 1177 T HA 0.156 4.505 4.350 -0.001 0.000 0.277 1177 T C 1.468 176.040 174.700 -0.214 0.000 0.975 1177 T CA -0.676 61.324 62.100 -0.166 0.000 0.966 1177 T CB 0.106 68.885 68.868 -0.148 0.000 1.054 1177 T HN 0.047 nan 8.240 nan 0.000 0.533 1178 V N 1.054 120.825 119.914 -0.239 0.000 2.282 1178 V HA -0.171 3.948 4.120 -0.001 0.000 0.249 1178 V C 2.882 178.695 176.094 -0.468 0.000 1.057 1178 V CA 2.344 64.450 62.300 -0.324 0.000 1.032 1178 V CB -0.994 30.643 31.823 -0.309 0.000 0.645 1178 V HN 0.989 nan 8.190 nan 0.000 0.447 1179 K N -0.237 119.877 120.400 -0.476 0.000 2.032 1179 K HA -0.241 4.078 4.320 -0.001 0.000 0.209 1179 K C 1.940 178.425 176.600 -0.190 0.000 1.048 1179 K CA 1.955 57.990 56.287 -0.420 0.000 0.927 1179 K CB -0.282 32.021 32.500 -0.329 0.000 0.712 1179 K HN 0.461 nan 8.250 nan 0.000 0.441 1180 D N 0.809 121.048 120.400 -0.267 0.000 2.123 1180 D HA -0.183 4.457 4.640 -0.001 0.000 0.196 1180 D C 1.984 177.812 176.300 -0.786 0.000 0.992 1180 D CA 1.192 54.908 54.000 -0.472 0.000 0.833 1180 D CB -0.121 40.409 40.800 -0.451 0.000 0.954 1180 D HN 0.259 nan 8.370 nan 0.000 0.455 1181 L N 0.342 121.287 121.223 -0.463 0.000 2.056 1181 L HA -0.083 4.256 4.340 -0.001 0.000 0.207 1181 L C 2.558 179.341 176.870 -0.144 0.000 1.078 1181 L CA 0.549 55.237 54.840 -0.254 0.000 0.749 1181 L CB -0.284 41.718 42.059 -0.095 0.000 0.901 1181 L HN -0.009 nan 8.230 nan 0.000 0.433 1182 I N 0.044 120.527 120.570 -0.146 0.000 2.286 1182 I HA -0.203 3.967 4.170 -0.001 0.000 0.248 1182 I C 2.626 178.726 176.117 -0.027 0.000 1.115 1182 I CA 1.419 62.697 61.300 -0.036 0.000 1.392 1182 I CB -0.852 37.141 38.000 -0.013 0.000 1.065 1182 I HN 0.271 nan 8.210 nan 0.000 0.418 1183 G N 0.559 109.302 108.800 -0.096 0.000 2.418 1183 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.217 1183 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.217 1183 G C 1.638 176.450 174.900 -0.147 0.000 1.158 1183 G CA 0.446 45.344 45.100 -0.338 0.000 0.771 1183 G HN 0.318 nan 8.290 nan 0.000 0.545 1184 F N 1.212 121.126 119.950 -0.059 0.000 2.134 1184 F HA -0.038 4.488 4.527 -0.001 0.000 0.299 1184 F C 2.998 178.798 175.800 -0.001 0.000 1.097 1184 F CA 0.385 58.357 58.000 -0.045 0.000 1.264 1184 F CB -0.211 38.765 39.000 -0.039 0.000 1.001 1184 F HN 0.244 nan 8.300 nan 0.000 0.479 1185 G N 0.154 109.073 108.800 0.200 0.000 2.432 1185 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.219 1185 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.219 1185 G C 1.488 176.556 174.900 0.281 0.000 1.135 1185 G CA 0.649 45.870 45.100 0.202 0.000 0.767 1185 G HN 0.223 nan 8.290 nan 0.000 0.550 1186 L N 0.428 121.715 121.223 0.107 0.000 2.027 1186 L HA 0.002 4.341 4.340 -0.001 0.000 0.206 1186 L C 2.889 179.776 176.870 0.030 0.000 1.074 1186 L CA 1.900 56.759 54.840 0.032 0.000 0.745 1186 L CB -0.818 41.133 42.059 -0.181 0.000 0.898 1186 L HN 0.312 nan 8.230 nan 0.000 0.433 1187 Q N -1.118 118.697 119.800 0.024 0.000 2.061 1187 Q HA -0.215 4.124 4.340 -0.001 0.000 0.204 1187 Q C 2.155 178.183 176.000 0.047 0.000 0.984 1187 Q CA 2.191 58.016 55.803 0.038 0.000 0.846 1187 Q CB -0.413 28.359 28.738 0.058 0.000 0.902 1187 Q HN 0.467 nan 8.270 nan 0.000 0.421 1188 V N 1.086 121.065 119.914 0.108 0.000 2.287 1188 V HA -0.332 3.787 4.120 -0.001 0.000 0.248 1188 V C 2.330 178.395 176.094 -0.049 0.000 1.053 1188 V CA 1.920 64.283 62.300 0.104 0.000 1.027 1188 V CB -1.170 30.832 31.823 0.299 0.000 0.646 1188 V HN 0.445 nan 8.190 nan 0.000 0.447 1189 A N -0.320 122.480 122.820 -0.034 0.000 1.917 1189 A HA -0.298 4.021 4.320 -0.001 0.000 0.219 1189 A C 2.301 179.740 177.584 -0.241 0.000 1.182 1189 A CA 2.334 54.181 52.037 -0.316 0.000 0.633 1189 A CB -0.502 18.390 19.000 -0.179 0.000 0.819 1189 A HN 0.578 nan 8.150 nan 0.000 0.448 1190 K N -1.012 119.315 120.400 -0.122 0.000 2.057 1190 K HA -0.078 4.242 4.320 -0.001 0.000 0.207 1190 K C 2.190 178.600 176.600 -0.317 0.000 1.049 1190 K CA 1.026 57.250 56.287 -0.105 0.000 0.931 1190 K CB -0.500 32.035 32.500 0.058 0.000 0.714 1190 K HN 0.473 nan 8.250 nan 0.000 0.440 1191 G N 1.278 109.903 108.800 -0.293 0.000 2.440 1191 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.218 1191 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.218 1191 G C 1.446 176.073 174.900 -0.455 0.000 1.154 1191 G CA 0.797 45.657 45.100 -0.400 0.000 0.767 1191 G HN 0.080 nan 8.290 nan 0.000 0.552 1192 M N 0.372 119.635 119.600 -0.562 0.000 2.254 1192 M HA 0.100 4.579 4.480 -0.001 0.000 0.265 1192 M C 2.278 178.119 176.300 -0.765 0.000 1.066 1192 M CA 0.909 55.671 55.300 -0.896 0.000 1.123 1192 M CB -0.783 30.740 32.600 -1.794 0.000 1.388 1192 M HN 0.316 nan 8.290 nan 0.000 0.425 1193 K N -0.289 119.818 120.400 -0.488 0.000 2.063 1193 K HA -0.238 4.081 4.320 -0.001 0.000 0.208 1193 K C 2.122 178.590 176.600 -0.220 0.000 1.048 1193 K CA 1.533 57.699 56.287 -0.201 0.000 0.928 1193 K CB -0.316 32.130 32.500 -0.090 0.000 0.713 1193 K HN 0.231 nan 8.250 nan 0.000 0.442 1194 Y N 1.475 121.507 120.300 -0.446 0.000 2.145 1194 Y HA -0.208 4.342 4.550 -0.001 0.000 0.286 1194 Y C 1.850 177.481 175.900 -0.447 0.000 1.145 1194 Y CA 1.678 59.504 58.100 -0.456 0.000 1.148 1194 Y CB -0.180 37.847 38.460 -0.722 0.000 0.981 1194 Y HN 0.009 nan 8.280 nan 0.000 0.507 1195 L N -0.465 120.499 121.223 -0.431 0.000 2.046 1195 L HA -0.221 4.118 4.340 -0.001 0.000 0.208 1195 L C 2.783 179.472 176.870 -0.302 0.000 1.077 1195 L CA 1.131 55.675 54.840 -0.493 0.000 0.747 1195 L CB -1.041 40.789 42.059 -0.381 0.000 0.896 1195 L HN 0.350 nan 8.230 nan 0.000 0.432 1196 A N 0.248 122.934 122.820 -0.223 0.000 1.940 1196 A HA -0.238 4.081 4.320 -0.001 0.000 0.219 1196 A C 2.490 180.010 177.584 -0.107 0.000 1.176 1196 A CA 2.047 54.036 52.037 -0.080 0.000 0.631 1196 A CB -0.696 18.336 19.000 0.052 0.000 0.814 1196 A HN 0.544 nan 8.150 nan 0.000 0.446 1197 S N -1.034 114.546 115.700 -0.200 0.000 2.474 1197 S HA -0.037 4.433 4.470 -0.001 0.000 0.235 1197 S C 1.286 175.762 174.600 -0.206 0.000 0.997 1197 S CA 1.112 59.196 58.200 -0.194 0.000 0.949 1197 S CB -0.076 62.986 63.200 -0.231 0.000 0.766 1197 S HN 0.392 nan 8.310 nan 0.000 0.517 1198 K N 1.104 121.346 120.400 -0.263 0.000 2.397 1198 K HA 0.239 4.559 4.320 -0.001 0.000 0.202 1198 K C -0.012 176.599 176.600 0.017 0.000 1.022 1198 K CA -0.108 56.094 56.287 -0.143 0.000 1.141 1198 K CB 0.100 32.460 32.500 -0.233 0.000 0.857 1198 K HN 0.305 nan 8.250 nan 0.000 0.514 1199 K N 0.163 120.563 120.400 -0.000 0.000 3.088 1199 K HA -0.222 4.097 4.320 -0.001 0.000 0.273 1199 K C -0.250 176.409 176.600 0.099 0.000 1.111 1199 K CA 0.556 56.869 56.287 0.043 0.000 0.803 1199 K CB -2.222 30.304 32.500 0.044 0.000 1.226 1199 K HN 0.172 nan 8.250 nan 0.000 0.485 1200 F N 0.925 120.839 119.950 -0.059 0.000 2.405 1200 F HA 0.295 4.822 4.527 -0.001 0.000 0.355 1200 F C 0.353 176.130 175.800 -0.039 0.000 1.121 1200 F CA -0.847 57.134 58.000 -0.031 0.000 1.112 1200 F CB 1.037 40.004 39.000 -0.054 0.000 1.126 1200 F HN -0.165 nan 8.300 nan 0.000 0.481 1201 V N 7.186 126.783 119.914 -0.528 0.000 2.383 1201 V HA 0.059 4.179 4.120 -0.001 0.000 0.275 1201 V C 1.189 177.015 176.094 -0.447 0.000 1.036 1201 V CA -0.357 61.767 62.300 -0.294 0.000 0.889 1201 V CB 0.880 32.623 31.823 -0.134 0.000 0.985 1201 V HN 0.853 nan 8.190 nan 0.000 0.459 1202 H N 5.224 124.192 119.070 -0.170 0.000 2.326 1202 H HA -0.052 4.504 4.556 -0.001 0.000 0.301 1202 H C 1.749 177.045 175.328 -0.054 0.000 1.081 1202 H CA 2.256 58.286 56.048 -0.030 0.000 1.334 1202 H CB 0.381 30.188 29.762 0.075 0.000 1.385 1202 H HN 0.758 nan 8.280 nan 0.000 0.504 1203 R N -1.309 119.293 120.500 0.170 0.000 3.621 1203 R HA -0.180 4.159 4.340 -0.001 0.000 0.410 1203 R C -0.117 176.220 176.300 0.062 0.000 0.541 1203 R CA 1.531 57.570 56.100 -0.101 0.000 1.518 1203 R CB -1.394 28.602 30.300 -0.507 0.000 2.022 1203 R HN 0.333 nan 8.270 nan 0.000 0.356 1204 D N 0.321 120.965 120.400 0.408 0.000 2.908 1204 D HA 0.181 4.820 4.640 -0.001 0.000 0.361 1204 D C -1.048 175.354 176.300 0.170 0.000 1.416 1204 D CA -0.417 53.767 54.000 0.307 0.000 0.796 1204 D CB 0.382 41.355 40.800 0.288 0.000 1.185 1204 D HN 0.024 nan 8.370 nan 0.000 0.451 1205 L N 1.581 122.792 121.223 -0.021 0.000 2.455 1205 L HA 0.560 4.899 4.340 -0.001 0.000 0.272 1205 L C -0.330 176.512 176.870 -0.047 0.000 1.174 1205 L CA 0.398 55.112 54.840 -0.210 0.000 0.869 1205 L CB 0.345 42.373 42.059 -0.052 0.000 1.130 1205 L HN 0.233 nan 8.230 nan 0.000 0.474 1206 A N 3.727 126.487 122.820 -0.101 0.000 2.569 1206 A HA 0.633 4.953 4.320 -0.001 0.000 0.292 1206 A C 0.366 177.929 177.584 -0.035 0.000 1.032 1206 A CA -0.159 51.784 52.037 -0.156 0.000 0.669 1206 A CB -0.042 18.443 19.000 -0.859 0.000 1.290 1206 A HN 1.076 nan 8.150 nan 0.000 0.422 1207 A N 0.771 123.632 122.820 0.067 0.000 1.940 1207 A HA -0.139 4.181 4.320 -0.001 0.000 0.219 1207 A C 1.922 179.507 177.584 0.002 0.000 1.176 1207 A CA 2.088 54.159 52.037 0.056 0.000 0.631 1207 A CB -0.652 18.413 19.000 0.109 0.000 0.814 1207 A HN 1.243 nan 8.150 nan 0.000 0.446 1208 R N -0.846 119.631 120.500 -0.039 0.000 2.193 1208 R HA -0.048 4.291 4.340 -0.001 0.000 0.229 1208 R C 0.449 176.742 176.300 -0.011 0.000 1.110 1208 R CA 1.617 57.701 56.100 -0.027 0.000 0.988 1208 R CB -0.424 29.847 30.300 -0.048 0.000 0.871 1208 R HN 0.332 nan 8.270 nan 0.000 0.458 1209 N N -0.132 118.562 118.700 -0.011 0.000 2.214 1209 N HA 0.127 4.866 4.740 -0.001 0.000 0.214 1209 N C -0.993 174.548 175.510 0.051 0.000 1.132 1209 N CA -0.102 52.977 53.050 0.049 0.000 0.856 1209 N CB 0.697 39.254 38.487 0.116 0.000 1.020 1209 N HN 0.155 nan 8.380 nan 0.000 0.509 1210 C N 1.001 120.302 119.300 0.001 0.000 2.382 1210 C HA 0.565 5.024 4.460 -0.001 0.000 0.327 1210 C C 0.216 175.162 174.990 -0.074 0.000 1.250 1210 C CA -0.799 58.208 59.018 -0.018 0.000 1.707 1210 C CB 0.556 28.281 27.740 -0.025 0.000 2.272 1210 C HN 0.164 nan 8.230 nan 0.000 0.506 1211 M N 2.814 122.358 119.600 -0.092 0.000 2.578 1211 M HA 0.724 5.203 4.480 -0.001 0.000 0.321 1211 M C -0.882 175.301 176.300 -0.194 0.000 1.182 1211 M CA -0.566 54.649 55.300 -0.142 0.000 0.965 1211 M CB 1.365 33.880 32.600 -0.140 0.000 1.694 1211 M HN 0.423 nan 8.290 nan 0.000 0.461 1212 L N 2.132 123.214 121.223 -0.235 0.000 2.346 1212 L HA 0.508 4.848 4.340 -0.001 0.000 0.276 1212 L C -0.221 176.514 176.870 -0.225 0.000 1.006 1212 L CA -0.606 54.068 54.840 -0.276 0.000 0.817 1212 L CB 1.430 43.212 42.059 -0.462 0.000 1.272 1212 L HN 0.749 nan 8.230 nan 0.000 0.421 1213 D N 1.132 121.408 120.400 -0.206 0.000 2.507 1213 D HA 0.077 4.717 4.640 -0.001 0.000 0.280 1213 D C 0.877 177.052 176.300 -0.209 0.000 1.219 1213 D CA -0.342 53.535 54.000 -0.206 0.000 1.085 1213 D CB 0.308 41.017 40.800 -0.153 0.000 1.134 1213 D HN 0.583 nan 8.370 nan 0.000 0.583 1214 E N 0.126 120.206 120.200 -0.200 0.000 2.204 1214 E HA -0.202 4.147 4.350 -0.001 0.000 0.194 1214 E C 0.906 177.318 176.600 -0.313 0.000 0.989 1214 E CA 0.985 57.252 56.400 -0.223 0.000 0.824 1214 E CB -0.331 29.302 29.700 -0.112 0.000 0.756 1214 E HN 0.481 nan 8.360 nan 0.000 0.477 1215 K N -0.074 120.216 120.400 -0.183 0.000 2.437 1215 K HA 0.126 4.445 4.320 -0.001 0.000 0.198 1215 K C -0.625 176.025 176.600 0.082 0.000 1.024 1215 K CA -0.156 56.110 56.287 -0.035 0.000 1.148 1215 K CB -0.284 32.228 32.500 0.020 0.000 0.860 1215 K HN -0.008 nan 8.250 nan 0.000 0.515 1216 F N -0.314 119.614 119.950 -0.036 0.000 3.074 1216 F HA -0.267 4.259 4.527 -0.001 0.000 0.289 1216 F C -0.068 175.654 175.800 -0.130 0.000 0.863 1216 F CA 0.423 58.324 58.000 -0.165 0.000 1.121 1216 F CB -2.711 36.204 39.000 -0.141 0.000 1.169 1216 F HN -0.093 nan 8.300 nan 0.000 0.570 1217 T N 1.141 115.685 114.554 -0.015 0.000 2.794 1217 T HA 0.507 4.856 4.350 -0.001 0.000 0.296 1217 T C 0.474 175.119 174.700 -0.092 0.000 0.949 1217 T CA -0.488 61.598 62.100 -0.024 0.000 1.101 1217 T CB 1.442 70.292 68.868 -0.031 0.000 0.905 1217 T HN 0.034 nan 8.240 nan 0.000 0.516 1218 V N 5.064 124.934 119.914 -0.074 0.000 2.461 1218 V HA 0.291 4.410 4.120 -0.001 0.000 0.275 1218 V C 0.320 176.380 176.094 -0.057 0.000 1.047 1218 V CA -0.369 61.860 62.300 -0.118 0.000 0.955 1218 V CB 0.729 32.489 31.823 -0.105 0.000 0.988 1218 V HN 0.721 nan 8.190 nan 0.000 0.471 1219 K N 3.645 124.007 120.400 -0.064 0.000 2.358 1219 K HA 0.515 4.835 4.320 -0.001 0.000 0.260 1219 K C -0.839 175.778 176.600 0.028 0.000 0.956 1219 K CA -0.619 55.661 56.287 -0.012 0.000 0.834 1219 K CB 2.075 34.564 32.500 -0.020 0.000 1.102 1219 K HN 0.472 nan 8.250 nan 0.000 0.431 1220 V N 3.402 123.354 119.914 0.064 0.000 2.493 1220 V HA 0.190 4.309 4.120 -0.001 0.000 0.292 1220 V C 0.324 176.622 176.094 0.339 0.000 1.016 1220 V CA 0.477 62.857 62.300 0.134 0.000 1.097 1220 V CB 0.306 32.159 31.823 0.050 0.000 0.947 1220 V HN 0.961 nan 8.190 nan 0.000 0.479 1221 A N 3.797 126.834 122.820 0.361 0.000 2.686 1221 A HA 0.694 5.013 4.320 -0.001 0.000 0.263 1221 A C 0.313 178.132 177.584 0.392 0.000 1.264 1221 A CA -0.072 52.148 52.037 0.305 0.000 0.799 1221 A CB 0.399 19.433 19.000 0.056 0.000 1.363 1221 A HN 0.774 nan 8.150 nan 0.000 0.507 1222 D N -1.546 118.902 120.400 0.080 0.000 2.697 1222 D HA -0.151 4.488 4.640 -0.001 0.000 0.235 1222 D C -0.395 175.953 176.300 0.080 0.000 1.167 1222 D CA 1.735 55.791 54.000 0.093 0.000 0.656 1222 D CB -1.573 39.354 40.800 0.213 0.000 1.025 1222 D HN 0.911 nan 8.370 nan 0.000 0.419 1223 F N -2.543 117.388 119.950 -0.032 0.000 2.631 1223 F HA 0.780 5.306 4.527 -0.001 0.000 0.328 1223 F C 1.404 177.224 175.800 0.033 0.000 1.067 1223 F CA -0.106 57.843 58.000 -0.084 0.000 0.969 1223 F CB 0.994 39.948 39.000 -0.078 0.000 1.332 1223 F HN 0.120 nan 8.300 nan 0.000 0.490 1224 G N 1.044 110.062 108.800 0.363 0.000 2.583 1224 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.292 1224 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.292 1224 G C 0.556 175.429 174.900 -0.045 0.000 1.203 1224 G CA 0.382 45.593 45.100 0.184 0.000 0.987 1224 G HN 0.946 nan 8.290 nan 0.000 0.554 1225 L N 1.149 122.273 121.223 -0.164 0.000 2.291 1225 L HA 0.145 4.484 4.340 -0.001 0.000 0.214 1225 L C 3.269 180.066 176.870 -0.121 0.000 1.120 1225 L CA 1.516 56.232 54.840 -0.207 0.000 0.799 1225 L CB -0.599 41.235 42.059 -0.376 0.000 0.925 1225 L HN 0.715 nan 8.230 nan 0.000 0.446 1226 A N 0.371 123.089 122.820 -0.170 0.000 2.167 1226 A HA 0.063 4.383 4.320 -0.001 0.000 0.214 1226 A C 1.645 179.221 177.584 -0.013 0.000 1.151 1226 A CA 0.455 52.419 52.037 -0.122 0.000 0.735 1226 A CB -0.668 18.173 19.000 -0.266 0.000 0.802 1226 A HN 0.347 nan 8.150 nan 0.000 0.467 1227 R N 0.510 120.996 120.500 -0.023 0.000 2.489 1227 R HA 0.461 4.800 4.340 -0.001 0.000 0.287 1227 R C -0.249 176.080 176.300 0.049 0.000 1.053 1227 R CA 0.573 56.691 56.100 0.030 0.000 1.036 1227 R CB -0.373 29.925 30.300 -0.004 0.000 0.966 1227 R HN 0.542 nan 8.270 nan 0.000 0.432 1228 D N 0.643 121.088 120.400 0.073 0.000 2.970 1228 D HA 0.390 5.029 4.640 -0.001 0.000 0.344 1228 D C -1.214 174.932 176.300 -0.256 0.000 1.365 1228 D CA -0.482 53.464 54.000 -0.091 0.000 0.910 1228 D CB 1.178 41.787 40.800 -0.318 0.000 1.445 1228 D HN 0.485 nan 8.370 nan 0.000 0.532 1229 M N 1.813 121.087 119.600 -0.545 0.000 2.106 1229 M HA 0.324 4.803 4.480 -0.001 0.000 0.288 1229 M C -1.179 174.792 176.300 -0.549 0.000 0.941 1229 M CA -0.356 54.606 55.300 -0.563 0.000 0.934 1229 M CB 1.134 33.333 32.600 -0.669 0.000 1.551 1229 M HN 0.465 nan 8.290 nan 0.000 0.437 1230 Y N 0.437 120.725 120.300 -0.020 0.000 2.581 1230 Y HA 0.301 4.851 4.550 -0.001 0.000 0.271 1230 Y C 0.534 176.486 175.900 0.087 0.000 1.100 1230 Y CA -0.238 57.882 58.100 0.033 0.000 1.281 1230 Y CB 0.707 39.188 38.460 0.036 0.000 1.237 1230 Y HN 0.508 nan 8.280 nan 0.000 0.514 1231 D N 0.964 121.555 120.400 0.318 0.000 2.479 1231 D HA 0.219 4.858 4.640 -0.001 0.000 0.247 1231 D C 1.111 177.621 176.300 0.350 0.000 1.119 1231 D CA 0.126 54.319 54.000 0.323 0.000 0.922 1231 D CB 1.060 42.110 40.800 0.417 0.000 1.014 1231 D HN 0.261 nan 8.370 nan 0.000 0.510 1232 K N 2.573 123.084 120.400 0.185 0.000 2.211 1232 K HA -0.195 4.125 4.320 -0.001 0.000 0.204 1232 K C 1.638 178.342 176.600 0.175 0.000 1.047 1232 K CA 1.700 58.078 56.287 0.152 0.000 0.935 1232 K CB -0.628 31.901 32.500 0.049 0.000 0.728 1232 K HN 0.612 nan 8.250 nan 0.000 0.452 1233 E N -1.143 119.077 120.200 0.032 0.000 2.171 1233 E HA -0.194 4.155 4.350 -0.001 0.000 0.197 1233 E C 0.723 177.159 176.600 -0.274 0.000 0.997 1233 E CA 1.406 57.680 56.400 -0.209 0.000 0.810 1233 E CB -0.167 29.248 29.700 -0.475 0.000 0.738 1233 E HN 0.819 nan 8.360 nan 0.000 0.467 1234 Y N -1.327 119.068 120.300 0.159 0.000 2.571 1234 Y HA 0.203 4.753 4.550 -0.001 0.000 0.275 1234 Y C -0.699 175.035 175.900 -0.276 0.000 1.179 1234 Y CA -0.105 57.989 58.100 -0.011 0.000 1.242 1234 Y CB 0.255 38.654 38.460 -0.102 0.000 1.126 1234 Y HN -0.043 nan 8.280 nan 0.000 0.524 1235 Y N -1.139 119.253 120.300 0.153 0.000 2.391 1235 Y HA 0.592 5.141 4.550 -0.001 0.000 0.341 1235 Y C 0.120 176.074 175.900 0.090 0.000 0.965 1235 Y CA -1.074 57.096 58.100 0.117 0.000 1.067 1235 Y CB 1.891 40.395 38.460 0.074 0.000 1.199 1235 Y HN -0.289 nan 8.280 nan 0.000 0.450 1236 S N 1.838 117.678 115.700 0.232 0.000 2.526 1236 S HA 0.570 5.039 4.470 -0.001 0.000 0.293 1236 S C -0.691 174.082 174.600 0.289 0.000 1.092 1236 S CA -0.857 57.473 58.200 0.217 0.000 0.980 1236 S CB 1.623 64.932 63.200 0.182 0.000 1.048 1236 S HN 0.360 nan 8.310 nan 0.000 0.483 1237 V N 3.746 123.804 119.914 0.240 0.000 2.686 1237 V HA 0.389 4.508 4.120 -0.001 0.000 0.295 1237 V C 0.294 176.560 176.094 0.286 0.000 1.055 1237 V CA 0.386 62.817 62.300 0.217 0.000 1.050 1237 V CB -0.181 31.731 31.823 0.148 0.000 0.984 1237 V HN 1.077 nan 8.190 nan 0.000 0.482 1242 G N 1.360 109.822 108.800 -0.563 0.000 2.975 1242 G HA2 0.452 4.411 3.960 -0.001 0.000 0.201 1242 G HA3 0.452 4.411 3.960 -0.001 0.000 0.201 1242 G C 0.909 175.754 174.900 -0.093 0.000 1.191 1242 G CA 0.911 45.812 45.100 -0.332 0.000 0.913 1242 G HN 1.620 nan 8.290 nan 0.000 0.505 1243 A N 0.201 122.988 122.820 -0.055 0.000 2.540 1243 A HA 0.400 4.720 4.320 -0.001 0.000 0.239 1243 A C 0.523 178.182 177.584 0.125 0.000 1.061 1243 A CA 0.122 52.191 52.037 0.054 0.000 0.758 1243 A CB 0.334 19.392 19.000 0.096 0.000 0.991 1243 A HN 0.396 nan 8.150 nan 0.000 0.502 1244 K N 2.337 122.810 120.400 0.122 0.000 2.292 1244 K HA 0.526 4.846 4.320 -0.001 0.000 0.270 1244 K C -1.118 175.656 176.600 0.290 0.000 1.062 1244 K CA 0.204 56.592 56.287 0.169 0.000 0.916 1244 K CB 0.826 33.354 32.500 0.047 0.000 1.166 1244 K HN 0.592 nan 8.250 nan 0.000 0.458 1245 L N 4.527 125.953 121.223 0.339 0.000 2.362 1245 L HA 0.431 4.770 4.340 -0.001 0.000 0.271 1245 L C -2.076 174.922 176.870 0.214 0.000 1.002 1245 L CA -2.370 52.676 54.840 0.344 0.000 0.818 1245 L CB 2.167 44.430 42.059 0.339 0.000 1.298 1245 L HN 0.411 nan 8.230 nan 0.000 0.420 1246 P HA 0.006 nan 4.420 nan 0.000 0.230 1246 P C 1.111 178.502 177.300 0.151 0.000 1.791 1246 P CA -0.194 62.872 63.100 -0.056 0.000 1.020 1246 P CB 0.050 31.648 31.700 -0.171 0.000 1.977 1247 V N 0.714 120.627 119.914 -0.001 0.000 2.370 1247 V HA -0.293 3.827 4.120 -0.001 0.000 0.252 1247 V C 1.915 177.948 176.094 -0.101 0.000 1.068 1247 V CA 1.598 63.784 62.300 -0.189 0.000 1.061 1247 V CB -1.548 29.984 31.823 -0.484 0.000 0.656 1247 V HN 0.165 nan 8.190 nan 0.000 0.455 1248 K N -1.237 119.193 120.400 0.051 0.000 2.504 1248 K HA -0.002 4.317 4.320 -0.001 0.000 0.195 1248 K C 1.586 178.098 176.600 -0.146 0.000 1.036 1248 K CA 1.224 57.453 56.287 -0.097 0.000 0.984 1248 K CB -0.127 32.277 32.500 -0.161 0.000 0.788 1248 K HN 0.699 nan 8.250 nan 0.000 0.488 1249 W N -0.040 121.318 121.300 0.096 0.000 2.870 1249 W HA 0.271 4.930 4.660 -0.001 0.000 0.358 1249 W C 0.016 176.670 176.519 0.226 0.000 1.043 1249 W CA -0.420 57.057 57.345 0.219 0.000 1.692 1249 W CB 0.380 29.940 29.460 0.166 0.000 1.100 1249 W HN -0.031 nan 8.180 nan 0.000 0.557 1250 M N 0.590 120.287 119.600 0.161 0.000 2.277 1250 M HA 0.427 4.906 4.480 -0.001 0.000 0.350 1250 M C 0.630 176.476 176.300 -0.757 0.000 1.180 1250 M CA -0.269 54.964 55.300 -0.112 0.000 1.103 1250 M CB 1.435 33.966 32.600 -0.116 0.000 1.577 1250 M HN -0.262 nan 8.290 nan 0.000 0.459 1251 A N 2.774 125.041 122.820 -0.921 0.000 2.425 1251 A HA 0.229 4.548 4.320 -0.001 0.000 0.242 1251 A C 1.120 178.097 177.584 -1.013 0.000 1.077 1251 A CA -0.323 50.818 52.037 -1.492 0.000 0.781 1251 A CB 0.149 18.812 19.000 -0.561 0.000 1.020 1251 A HN 1.052 nan 8.150 nan 0.000 0.494 1252 L N 0.568 121.172 121.223 -1.032 0.000 1.991 1252 L HA -0.284 4.055 4.340 -0.001 0.000 0.221 1252 L C 2.860 179.550 176.870 -0.300 0.000 1.079 1252 L CA 2.259 56.809 54.840 -0.482 0.000 0.778 1252 L CB -0.571 41.332 42.059 -0.261 0.000 0.893 1252 L HN 0.994 nan 8.230 nan 0.000 0.437 1253 E N -0.445 119.606 120.200 -0.247 0.000 2.153 1253 E HA -0.181 4.168 4.350 -0.001 0.000 0.194 1253 E C 2.012 178.485 176.600 -0.212 0.000 0.988 1253 E CA 1.744 58.043 56.400 -0.168 0.000 0.811 1253 E CB -0.407 29.227 29.700 -0.110 0.000 0.746 1253 E HN 0.418 nan 8.360 nan 0.000 0.466 1254 S N 0.991 116.497 115.700 -0.323 0.000 2.406 1254 S HA 0.052 4.522 4.470 -0.001 0.000 0.228 1254 S C 2.099 176.518 174.600 -0.302 0.000 1.020 1254 S CA 0.685 58.613 58.200 -0.453 0.000 0.965 1254 S CB -0.189 62.578 63.200 -0.721 0.000 0.798 1254 S HN 0.210 nan 8.310 nan 0.000 0.488 1255 L N 1.052 122.139 121.223 -0.228 0.000 2.141 1255 L HA -0.114 4.226 4.340 -0.001 0.000 0.209 1255 L C 2.579 179.508 176.870 0.100 0.000 1.094 1255 L CA 1.069 55.889 54.840 -0.033 0.000 0.763 1255 L CB -0.398 41.581 42.059 -0.133 0.000 0.908 1255 L HN 0.331 nan 8.230 nan 0.000 0.437 1256 Q N -0.852 118.934 119.800 -0.024 0.000 2.089 1256 Q HA -0.108 4.231 4.340 -0.001 0.000 0.195 1256 Q C 2.102 178.089 176.000 -0.023 0.000 0.963 1256 Q CA 1.905 57.699 55.803 -0.014 0.000 0.834 1256 Q CB 0.031 28.745 28.738 -0.041 0.000 0.906 1256 Q HN 0.551 nan 8.270 nan 0.000 0.452 1257 T N -3.589 110.931 114.554 -0.056 0.000 3.001 1257 T HA 0.117 4.466 4.350 -0.001 0.000 0.251 1257 T C 0.577 175.250 174.700 -0.045 0.000 1.040 1257 T CA -0.071 62.000 62.100 -0.049 0.000 0.985 1257 T CB 0.367 69.201 68.868 -0.057 0.000 1.011 1257 T HN 0.215 nan 8.240 nan 0.000 0.509 1258 Q N -0.099 119.654 119.800 -0.078 0.000 2.452 1258 Q HA -0.171 4.168 4.340 -0.001 0.000 0.248 1258 Q C 0.183 176.133 176.000 -0.083 0.000 0.874 1258 Q CA 1.173 56.940 55.803 -0.060 0.000 1.208 1258 Q CB -2.252 26.538 28.738 0.087 0.000 1.569 1258 Q HN 0.874 nan 8.270 nan 0.000 0.579 1259 K N 0.625 120.921 120.400 -0.174 0.000 2.156 1259 K HA 0.662 4.981 4.320 -0.001 0.000 0.271 1259 K C -0.756 175.696 176.600 -0.247 0.000 0.995 1259 K CA -0.098 56.145 56.287 -0.074 0.000 0.890 1259 K CB 0.606 33.089 32.500 -0.029 0.000 1.073 1259 K HN 0.142 nan 8.250 nan 0.000 0.454 1260 F N 1.013 120.974 119.950 0.017 0.000 2.480 1260 F HA 0.644 5.171 4.527 -0.001 0.000 0.329 1260 F C 1.111 176.923 175.800 0.020 0.000 1.091 1260 F CA -0.253 57.763 58.000 0.027 0.000 0.972 1260 F CB 2.842 41.863 39.000 0.035 0.000 1.150 1260 F HN 0.731 nan 8.300 nan 0.000 0.467 1261 T N -2.682 111.989 114.554 0.195 0.000 2.838 1261 T HA 0.289 4.638 4.350 -0.001 0.000 0.292 1261 T C 0.630 175.428 174.700 0.164 0.000 1.113 1261 T CA -0.601 61.578 62.100 0.133 0.000 1.008 1261 T CB 1.382 70.297 68.868 0.079 0.000 1.259 1261 T HN 0.411 nan 8.240 nan 0.000 0.520 1262 T N 0.828 115.464 114.554 0.136 0.000 2.833 1262 T HA -0.046 4.303 4.350 -0.001 0.000 0.269 1262 T C 1.772 176.581 174.700 0.181 0.000 1.054 1262 T CA 0.944 63.159 62.100 0.191 0.000 1.135 1262 T CB -0.251 68.713 68.868 0.161 0.000 0.869 1262 T HN 0.460 nan 8.240 nan 0.000 0.466 1263 K N 1.584 122.050 120.400 0.110 0.000 2.148 1263 K HA 0.018 4.338 4.320 -0.001 0.000 0.204 1263 K C 2.687 179.387 176.600 0.166 0.000 1.050 1263 K CA 1.208 57.545 56.287 0.083 0.000 0.942 1263 K CB -0.520 32.013 32.500 0.056 0.000 0.724 1263 K HN 0.548 nan 8.250 nan 0.000 0.446 1264 S N 0.684 116.496 115.700 0.187 0.000 2.436 1264 S HA -0.069 4.401 4.470 -0.001 0.000 0.228 1264 S C 1.438 176.259 174.600 0.368 0.000 1.014 1264 S CA 0.708 59.050 58.200 0.237 0.000 0.950 1264 S CB 0.003 63.263 63.200 0.100 0.000 0.784 1264 S HN 0.077 nan 8.310 nan 0.000 0.504 1265 D N 1.820 122.442 120.400 0.371 0.000 2.144 1265 D HA -0.029 4.611 4.640 -0.001 0.000 0.199 1265 D C 2.041 178.668 176.300 0.545 0.000 0.984 1265 D CA 0.874 55.157 54.000 0.471 0.000 0.834 1265 D CB -0.474 40.625 40.800 0.499 0.000 0.955 1265 D HN 0.311 nan 8.370 nan 0.000 0.465 1266 V N 0.740 120.823 119.914 0.281 0.000 2.343 1266 V HA -0.207 3.912 4.120 -0.001 0.000 0.247 1266 V C 2.173 178.439 176.094 0.287 0.000 1.051 1266 V CA 1.301 63.599 62.300 -0.003 0.000 1.036 1266 V CB -0.453 31.188 31.823 -0.302 0.000 0.654 1266 V HN 0.397 nan 8.190 nan 0.000 0.451 1267 W N 1.162 122.590 121.300 0.215 0.000 2.335 1267 W HA -0.218 4.441 4.660 -0.001 0.000 0.311 1267 W C 2.570 179.361 176.519 0.453 0.000 1.213 1267 W CA 2.225 59.785 57.345 0.358 0.000 1.274 1267 W CB -0.693 28.955 29.460 0.314 0.000 1.148 1267 W HN 0.324 nan 8.180 nan 0.000 0.498 1268 S N 0.583 116.756 115.700 0.788 0.000 2.383 1268 S HA -0.243 4.227 4.470 -0.001 0.000 0.229 1268 S C 1.575 176.541 174.600 0.611 0.000 1.030 1268 S CA 1.634 60.266 58.200 0.719 0.000 1.002 1268 S CB -1.027 62.534 63.200 0.601 0.000 0.829 1268 S HN 0.324 nan 8.310 nan 0.000 0.467 1269 F N 2.534 122.725 119.950 0.401 0.000 2.171 1269 F HA 0.009 4.535 4.527 -0.001 0.000 0.300 1269 F C 2.231 178.150 175.800 0.199 0.000 1.090 1269 F CA 1.120 59.308 58.000 0.313 0.000 1.293 1269 F CB -0.916 38.319 39.000 0.393 0.000 1.013 1269 F HN 0.210 nan 8.300 nan 0.000 0.486 1270 G N -0.041 108.790 108.800 0.052 0.000 2.440 1270 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.218 1270 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.218 1270 G C 1.698 176.683 174.900 0.142 0.000 1.154 1270 G CA 1.283 46.207 45.100 -0.292 0.000 0.767 1270 G HN 0.340 nan 8.290 nan 0.000 0.552 1271 V N 0.813 121.000 119.914 0.455 0.000 2.358 1271 V HA -0.088 4.031 4.120 -0.001 0.000 0.246 1271 V C 2.649 178.935 176.094 0.320 0.000 1.047 1271 V CA 1.502 64.014 62.300 0.354 0.000 1.035 1271 V CB -0.485 31.365 31.823 0.046 0.000 0.658 1271 V HN 0.393 nan 8.190 nan 0.000 0.452 1272 L N -0.548 120.852 121.223 0.296 0.000 2.046 1272 L HA -0.176 4.164 4.340 -0.001 0.000 0.208 1272 L C 2.364 179.260 176.870 0.044 0.000 1.077 1272 L CA 1.656 56.627 54.840 0.217 0.000 0.747 1272 L CB -0.204 41.953 42.059 0.164 0.000 0.896 1272 L HN 0.230 nan 8.230 nan 0.000 0.432 1273 L N -1.484 119.639 121.223 -0.166 0.000 2.042 1273 L HA -0.282 4.057 4.340 -0.001 0.000 0.210 1273 L C 2.356 179.254 176.870 0.047 0.000 1.076 1273 L CA 1.947 56.686 54.840 -0.168 0.000 0.749 1273 L CB -0.671 41.197 42.059 -0.318 0.000 0.893 1273 L HN 0.521 nan 8.230 nan 0.000 0.432 1274 W N 1.239 122.535 121.300 -0.007 0.000 2.358 1274 W HA -0.186 4.473 4.660 -0.001 0.000 0.303 1274 W C 2.436 178.972 176.519 0.029 0.000 1.208 1274 W CA 1.625 59.002 57.345 0.054 0.000 1.274 1274 W CB 0.016 29.555 29.460 0.131 0.000 1.138 1274 W HN 0.101 nan 8.180 nan 0.000 0.515 1275 E N 0.188 120.543 120.200 0.257 0.000 2.058 1275 E HA -0.280 4.069 4.350 -0.001 0.000 0.194 1275 E C 2.166 178.755 176.600 -0.018 0.000 0.997 1275 E CA 1.858 58.330 56.400 0.120 0.000 0.801 1275 E CB -0.756 29.095 29.700 0.251 0.000 0.746 1275 E HN 0.346 nan 8.360 nan 0.000 0.450 1276 L N 0.242 121.478 121.223 0.022 0.000 2.042 1276 L HA -0.202 4.138 4.340 -0.001 0.000 0.210 1276 L C 2.388 179.232 176.870 -0.043 0.000 1.076 1276 L CA 0.819 55.676 54.840 0.029 0.000 0.749 1276 L CB -0.231 41.864 42.059 0.059 0.000 0.893 1276 L HN 0.228 nan 8.230 nan 0.000 0.432 1277 M N -1.013 118.516 119.600 -0.119 0.000 2.562 1277 M HA -0.017 4.462 4.480 -0.001 0.000 0.257 1277 M C 1.950 178.115 176.300 -0.225 0.000 1.099 1277 M CA 1.156 56.370 55.300 -0.145 0.000 1.099 1277 M CB -1.302 31.222 32.600 -0.127 0.000 1.427 1277 M HN 0.358 nan 8.290 nan 0.000 0.489 1278 T N -3.401 110.933 114.554 -0.368 0.000 3.054 1278 T HA 0.270 4.619 4.350 -0.001 0.000 0.255 1278 T C 0.657 175.237 174.700 -0.199 0.000 1.035 1278 T CA -0.388 61.476 62.100 -0.395 0.000 0.941 1278 T CB 0.009 68.396 68.868 -0.802 0.000 1.026 1278 T HN 0.387 nan 8.240 nan 0.000 0.533 1279 R N 0.940 121.372 120.500 -0.113 0.000 3.205 1279 R HA -0.147 4.193 4.340 -0.001 0.000 0.249 1279 R C 1.023 177.320 176.300 -0.005 0.000 0.937 1279 R CA 0.448 56.533 56.100 -0.025 0.000 0.641 1279 R CB -2.210 28.083 30.300 -0.011 0.000 1.114 1279 R HN 0.970 nan 8.270 nan 0.000 0.451 1280 G N -1.691 107.110 108.800 0.001 0.000 2.137 1280 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.237 1280 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.237 1280 G C 0.252 175.193 174.900 0.068 0.000 1.002 1280 G CA 0.168 45.303 45.100 0.059 0.000 0.702 1280 G HN 0.897 nan 8.290 nan 0.000 0.515 1281 A N 0.714 123.536 122.820 0.004 0.000 2.445 1281 A HA 0.655 4.975 4.320 -0.001 0.000 0.242 1281 A C -1.082 176.644 177.584 0.237 0.000 1.075 1281 A CA -0.557 51.521 52.037 0.069 0.000 0.777 1281 A CB 0.307 19.274 19.000 -0.055 0.000 1.013 1281 A HN 0.313 nan 8.150 nan 0.000 0.493 1282 P HA 0.234 nan 4.420 nan 0.000 0.271 1282 P C -2.721 174.710 177.300 0.218 0.000 1.220 1282 P CA -1.085 62.177 63.100 0.270 0.000 0.768 1282 P CB 0.294 32.181 31.700 0.312 0.000 0.848 1283 P HA 0.086 nan 4.420 nan 0.000 0.275 1283 P C -0.590 176.471 177.300 -0.398 0.000 1.227 1283 P CA -0.203 62.543 63.100 -0.589 0.000 0.781 1283 P CB 0.038 31.161 31.700 -0.962 0.000 0.906 1284 Y N 0.724 120.765 120.300 -0.431 0.000 2.988 1284 Y HA -0.183 4.366 4.550 -0.001 0.000 0.193 1284 Y C -0.998 174.757 175.900 -0.241 0.000 1.388 1284 Y CA -0.213 57.647 58.100 -0.400 0.000 0.904 1284 Y CB -2.572 35.559 38.460 -0.548 0.000 1.297 1284 Y HN 0.442 nan 8.280 nan 0.000 0.432 1285 P HA -0.155 nan 4.420 nan 0.000 0.215 1285 P C 0.843 178.140 177.300 -0.005 0.000 1.157 1285 P CA 1.763 64.879 63.100 0.027 0.000 0.863 1285 P CB 0.318 32.051 31.700 0.055 0.000 0.787 1286 D N -0.452 119.931 120.400 -0.029 0.000 2.325 1286 D HA 0.092 4.731 4.640 -0.001 0.000 0.234 1286 D C 0.307 176.561 176.300 -0.077 0.000 1.122 1286 D CA 0.145 54.130 54.000 -0.026 0.000 0.850 1286 D CB 0.013 40.819 40.800 0.010 0.000 0.921 1286 D HN 0.058 nan 8.370 nan 0.000 0.513 1287 V N 1.060 120.879 119.914 -0.159 0.000 2.612 1287 V HA 0.314 4.433 4.120 -0.001 0.000 0.301 1287 V C 0.088 176.112 176.094 -0.116 0.000 1.046 1287 V CA -0.903 61.268 62.300 -0.216 0.000 0.946 1287 V CB 1.847 33.386 31.823 -0.475 0.000 1.003 1287 V HN -0.061 nan 8.190 nan 0.000 0.459 1288 N N 2.835 121.486 118.700 -0.082 0.000 2.479 1288 N HA 0.561 5.300 4.740 -0.001 0.000 0.261 1288 N C 0.300 175.792 175.510 -0.031 0.000 0.979 1288 N CA 0.507 53.535 53.050 -0.038 0.000 0.930 1288 N CB 1.553 40.036 38.487 -0.008 0.000 1.172 1288 N HN 1.115 nan 8.380 nan 0.000 0.499 1289 T N -0.804 113.729 114.554 -0.034 0.000 14.167 1289 T HA -0.338 4.011 4.350 -0.001 0.000 0.419 1289 T C 0.870 175.529 174.700 -0.069 0.000 1.441 1289 T CA 0.617 62.711 62.100 -0.011 0.000 2.332 1289 T CB -1.367 67.559 68.868 0.096 0.000 2.758 1289 T HN 0.215 nan 8.240 nan 0.000 0.248 1290 F N 2.511 122.447 119.950 -0.023 0.000 2.771 1290 F HA 0.223 4.749 4.527 -0.001 0.000 0.299 1290 F C 2.275 178.045 175.800 -0.051 0.000 1.177 1290 F CA 1.067 59.046 58.000 -0.035 0.000 1.450 1290 F CB -0.424 38.569 39.000 -0.012 0.000 1.114 1290 F HN 0.622 nan 8.300 nan 0.000 0.587 1291 D N 0.152 120.603 120.400 0.084 0.000 2.351 1291 D HA -0.179 4.460 4.640 -0.001 0.000 0.216 1291 D C 2.228 178.518 176.300 -0.017 0.000 0.968 1291 D CA 0.536 54.558 54.000 0.035 0.000 0.899 1291 D CB -0.140 40.672 40.800 0.019 0.000 0.907 1291 D HN 0.250 nan 8.370 nan 0.000 0.514 1292 I N 0.079 120.580 120.570 -0.114 0.000 2.248 1292 I HA -0.284 3.885 4.170 -0.001 0.000 0.248 1292 I C 2.010 178.049 176.117 -0.129 0.000 1.107 1292 I CA 1.469 62.631 61.300 -0.229 0.000 1.373 1292 I CB -0.580 37.172 38.000 -0.413 0.000 1.055 1292 I HN -0.034 nan 8.210 nan 0.000 0.418 1293 T N -0.307 114.198 114.554 -0.082 0.000 2.684 1293 T HA -0.164 4.185 4.350 -0.001 0.000 0.267 1293 T C 1.996 176.689 174.700 -0.012 0.000 1.036 1293 T CA 1.909 63.981 62.100 -0.048 0.000 1.148 1293 T CB -0.419 68.454 68.868 0.007 0.000 0.863 1293 T HN 0.219 nan 8.240 nan 0.000 0.436 1294 V N 0.230 120.153 119.914 0.016 0.000 2.358 1294 V HA -0.148 3.971 4.120 -0.001 0.000 0.246 1294 V C 1.960 178.073 176.094 0.031 0.000 1.047 1294 V CA 1.556 63.869 62.300 0.021 0.000 1.035 1294 V CB -0.696 31.145 31.823 0.030 0.000 0.658 1294 V HN 0.524 nan 8.190 nan 0.000 0.452 1295 Y N 0.515 120.763 120.300 -0.087 0.000 2.145 1295 Y HA -0.235 4.314 4.550 -0.001 0.000 0.286 1295 Y C 2.202 178.046 175.900 -0.093 0.000 1.145 1295 Y CA 1.786 59.829 58.100 -0.095 0.000 1.148 1295 Y CB -0.158 38.218 38.460 -0.139 0.000 0.981 1295 Y HN 0.152 nan 8.280 nan 0.000 0.507 1296 L N -0.474 120.768 121.223 0.031 0.000 2.056 1296 L HA -0.226 4.113 4.340 -0.001 0.000 0.207 1296 L C 2.275 179.117 176.870 -0.047 0.000 1.078 1296 L CA 1.129 55.958 54.840 -0.017 0.000 0.749 1296 L CB -0.618 41.454 42.059 0.021 0.000 0.901 1296 L HN 0.243 nan 8.230 nan 0.000 0.433 1297 L N -0.553 120.647 121.223 -0.038 0.000 2.456 1297 L HA -0.171 4.168 4.340 -0.001 0.000 0.224 1297 L C 2.334 179.169 176.870 -0.058 0.000 1.148 1297 L CA 0.627 55.446 54.840 -0.035 0.000 0.825 1297 L CB -0.426 41.619 42.059 -0.022 0.000 0.937 1297 L HN 0.363 nan 8.230 nan 0.000 0.450 1298 Q N 0.194 119.933 119.800 -0.103 0.000 2.437 1298 Q HA -0.018 4.321 4.340 -0.001 0.000 0.210 1298 Q C 1.179 177.106 176.000 -0.122 0.000 0.972 1298 Q CA 0.692 56.419 55.803 -0.127 0.000 0.903 1298 Q CB 0.132 28.753 28.738 -0.194 0.000 0.967 1298 Q HN 0.584 nan 8.270 nan 0.000 0.486 1299 G N 0.964 109.697 108.800 -0.111 0.000 2.215 1299 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.198 1299 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.198 1299 G C -0.539 174.299 174.900 -0.103 0.000 1.047 1299 G CA -0.521 44.529 45.100 -0.082 0.000 0.747 1299 G HN 0.123 nan 8.290 nan 0.000 0.495 1300 R N -0.457 119.955 120.500 -0.147 0.000 2.711 1300 R HA 0.861 5.200 4.340 -0.001 0.000 0.284 1300 R C -0.143 176.112 176.300 -0.076 0.000 0.968 1300 R CA -0.979 55.016 56.100 -0.175 0.000 0.924 1300 R CB 1.575 31.585 30.300 -0.482 0.000 1.162 1300 R HN 0.138 nan 8.270 nan 0.000 0.465 1301 R N 1.298 121.775 120.500 -0.039 0.000 2.799 1301 R HA 0.398 4.737 4.340 -0.001 0.000 0.270 1301 R C -0.577 175.653 176.300 -0.116 0.000 1.010 1301 R CA -1.197 54.834 56.100 -0.116 0.000 0.916 1301 R CB 1.022 31.303 30.300 -0.031 0.000 1.228 1301 R HN 0.445 nan 8.270 nan 0.000 0.469 1302 L N 2.133 123.075 121.223 -0.468 0.000 2.543 1302 L HA 0.054 4.393 4.340 -0.001 0.000 0.285 1302 L C 0.602 177.510 176.870 0.063 0.000 1.236 1302 L CA 0.324 54.834 54.840 -0.550 0.000 0.871 1302 L CB -0.037 41.202 42.059 -1.368 0.000 1.121 1302 L HN 0.244 nan 8.230 nan 0.000 0.501 1303 L N 2.588 123.892 121.223 0.135 0.000 2.453 1303 L HA 0.173 4.513 4.340 -0.001 0.000 0.261 1303 L C 0.535 177.506 176.870 0.169 0.000 1.179 1303 L CA -0.282 54.669 54.840 0.184 0.000 0.813 1303 L CB 0.404 42.527 42.059 0.108 0.000 1.110 1303 L HN 0.618 nan 8.230 nan 0.000 0.466 1304 Q N 2.443 121.980 119.800 -0.437 0.000 2.281 1304 Q HA 0.184 4.523 4.340 -0.001 0.000 0.267 1304 Q C -2.231 173.626 176.000 -0.240 0.000 1.053 1304 Q CA -1.496 53.886 55.803 -0.701 0.000 0.905 1304 Q CB 0.819 28.866 28.738 -1.152 0.000 1.195 1304 Q HN 0.264 nan 8.270 nan 0.000 0.398 1305 P HA -0.059 nan 4.420 nan 0.000 0.269 1305 P C -0.027 177.158 177.300 -0.192 0.000 1.209 1305 P CA 0.044 63.025 63.100 -0.198 0.000 0.776 1305 P CB 0.729 32.261 31.700 -0.279 0.000 0.876 1306 E N 1.424 121.479 120.200 -0.241 0.000 2.070 1306 E HA -0.240 4.109 4.350 -0.001 0.000 0.197 1306 E C 0.469 176.830 176.600 -0.399 0.000 1.004 1306 E CA 1.517 57.685 56.400 -0.387 0.000 0.805 1306 E CB -0.242 29.095 29.700 -0.605 0.000 0.744 1306 E HN 0.553 nan 8.360 nan 0.000 0.451 1307 Y N -0.757 119.502 120.300 -0.069 0.000 2.461 1307 Y HA 0.150 4.699 4.550 -0.001 0.000 0.277 1307 Y C 0.667 176.545 175.900 -0.036 0.000 1.182 1307 Y CA -0.693 57.382 58.100 -0.041 0.000 1.276 1307 Y CB 0.101 38.531 38.460 -0.049 0.000 1.087 1307 Y HN 0.067 nan 8.280 nan 0.000 0.519 1308 C N 4.083 123.406 119.300 0.038 0.000 2.627 1308 C HA 0.289 4.748 4.460 -0.001 0.000 0.404 1308 C C -2.039 172.998 174.990 0.077 0.000 1.340 1308 C CA -2.325 56.716 59.018 0.038 0.000 1.758 1308 C CB -0.319 27.427 27.740 0.009 0.000 2.501 1308 C HN 0.177 nan 8.230 nan 0.000 0.588 1309 P HA 0.130 nan 4.420 nan 0.000 0.268 1309 P C 0.382 177.764 177.300 0.136 0.000 1.205 1309 P CA 0.289 63.495 63.100 0.176 0.000 0.771 1309 P CB 0.586 32.456 31.700 0.283 0.000 0.858 1310 D N 4.198 124.663 120.400 0.109 0.000 2.116 1310 D HA -0.161 4.479 4.640 -0.001 0.000 0.193 1310 D C -0.538 175.835 176.300 0.122 0.000 0.998 1310 D CA 2.001 56.071 54.000 0.116 0.000 0.836 1310 D CB -1.885 38.961 40.800 0.076 0.000 0.951 1310 D HN 0.439 nan 8.370 nan 0.000 0.449 1311 P HA -0.117 nan 4.420 nan 0.000 0.218 1311 P C 1.850 179.192 177.300 0.071 0.000 1.148 1311 P CA 0.740 63.883 63.100 0.073 0.000 0.822 1311 P CB 0.088 31.831 31.700 0.072 0.000 0.784 1312 L N -1.396 119.888 121.223 0.102 0.000 2.093 1312 L HA -0.117 4.222 4.340 -0.001 0.000 0.208 1312 L C 2.672 179.580 176.870 0.064 0.000 1.085 1312 L CA 1.586 56.472 54.840 0.077 0.000 0.755 1312 L CB -1.577 40.533 42.059 0.086 0.000 0.904 1312 L HN -0.167 nan 8.230 nan 0.000 0.435 1313 Y N 0.626 120.914 120.300 -0.020 0.000 2.242 1313 Y HA -0.220 4.330 4.550 -0.001 0.000 0.291 1313 Y C 2.372 178.223 175.900 -0.081 0.000 1.137 1313 Y CA 1.922 60.001 58.100 -0.034 0.000 1.181 1313 Y CB -0.143 38.329 38.460 0.020 0.000 0.989 1313 Y HN 0.368 nan 8.280 nan 0.000 0.527 1314 E N -0.983 119.168 120.200 -0.082 0.000 2.110 1314 E HA -0.184 4.165 4.350 -0.001 0.000 0.193 1314 E C 2.265 178.735 176.600 -0.216 0.000 0.988 1314 E CA 1.509 57.813 56.400 -0.160 0.000 0.804 1314 E CB -0.257 29.414 29.700 -0.047 0.000 0.745 1314 E HN 0.290 nan 8.360 nan 0.000 0.458 1315 V N 1.278 121.090 119.914 -0.169 0.000 2.332 1315 V HA -0.311 3.808 4.120 -0.001 0.000 0.248 1315 V C 2.263 178.131 176.094 -0.376 0.000 1.055 1315 V CA 1.791 63.978 62.300 -0.187 0.000 1.038 1315 V CB -0.403 31.372 31.823 -0.081 0.000 0.651 1315 V HN 0.335 nan 8.190 nan 0.000 0.450 1316 M N -0.860 118.415 119.600 -0.541 0.000 2.108 1316 M HA -0.197 4.283 4.480 -0.001 0.000 0.261 1316 M C 2.173 177.630 176.300 -1.405 0.000 1.066 1316 M CA 1.952 56.594 55.300 -1.096 0.000 1.107 1316 M CB -0.529 31.434 32.600 -1.062 0.000 1.356 1316 M HN 0.270 nan 8.290 nan 0.000 0.406 1317 L N -0.184 120.522 121.223 -0.861 0.000 2.093 1317 L HA -0.202 4.137 4.340 -0.001 0.000 0.208 1317 L C 2.418 179.092 176.870 -0.326 0.000 1.085 1317 L CA 1.303 55.847 54.840 -0.493 0.000 0.755 1317 L CB -0.622 41.201 42.059 -0.395 0.000 0.904 1317 L HN 0.293 nan 8.230 nan 0.000 0.435 1318 K N -0.618 119.605 120.400 -0.296 0.000 2.097 1318 K HA -0.137 4.183 4.320 -0.001 0.000 0.205 1318 K C 2.151 178.657 176.600 -0.156 0.000 1.050 1318 K CA 1.424 57.627 56.287 -0.139 0.000 0.938 1318 K CB -0.291 32.139 32.500 -0.116 0.000 0.718 1318 K HN 0.357 nan 8.250 nan 0.000 0.442 1319 C N -0.183 118.899 119.300 -0.362 0.000 2.432 1319 C HA -0.072 4.388 4.460 -0.001 0.000 0.280 1319 C C 1.373 176.203 174.990 -0.267 0.000 1.353 1319 C CA 0.049 58.859 59.018 -0.347 0.000 1.766 1319 C CB -0.725 26.712 27.740 -0.506 0.000 1.924 1319 C HN 0.570 nan 8.230 nan 0.000 0.509 1320 W N 0.248 121.307 121.300 -0.402 0.000 3.194 1320 W HA 0.284 4.943 4.660 -0.001 0.000 0.408 1320 W C 0.909 177.290 176.519 -0.230 0.000 1.072 1320 W CA -0.824 56.050 57.345 -0.786 0.000 1.953 1320 W CB -1.616 27.142 29.460 -1.170 0.000 1.091 1320 W HN 0.429 nan 8.180 nan 0.000 0.699 1321 H N 3.779 122.888 119.070 0.065 0.000 3.094 1321 H HA -0.039 4.516 4.556 -0.001 0.000 0.320 1321 H C -1.070 174.394 175.328 0.227 0.000 1.000 1321 H CA -0.160 55.951 56.048 0.104 0.000 1.413 1321 H CB 1.293 31.085 29.762 0.049 0.000 1.405 1321 H HN -0.094 nan 8.280 nan 0.000 0.586 1322 P HA -0.125 nan 4.420 nan 0.000 0.216 1322 P C -0.251 177.242 177.300 0.321 0.000 1.150 1322 P CA 1.406 64.681 63.100 0.291 0.000 0.837 1322 P CB 0.336 32.116 31.700 0.132 0.000 0.786 1323 K N 0.145 120.836 120.400 0.484 0.000 2.284 1323 K HA 0.410 4.729 4.320 -0.001 0.000 0.287 1323 K C 1.331 177.991 176.600 0.099 0.000 1.081 1323 K CA -0.207 56.202 56.287 0.203 0.000 0.910 1323 K CB 0.928 33.481 32.500 0.088 0.000 1.088 1323 K HN -0.118 nan 8.250 nan 0.000 0.478 1324 A N 3.818 126.693 122.820 0.091 0.000 1.917 1324 A HA -0.236 4.083 4.320 -0.001 0.000 0.219 1324 A C 1.927 179.511 177.584 0.000 0.000 1.182 1324 A CA 1.835 53.916 52.037 0.073 0.000 0.633 1324 A CB -0.326 18.709 19.000 0.057 0.000 0.819 1324 A HN 0.883 nan 8.150 nan 0.000 0.448 1325 E N -0.613 119.567 120.200 -0.034 0.000 2.409 1325 E HA -0.150 4.199 4.350 -0.001 0.000 0.198 1325 E C 1.337 177.859 176.600 -0.129 0.000 1.024 1325 E CA 1.004 57.365 56.400 -0.064 0.000 0.861 1325 E CB -0.381 29.290 29.700 -0.048 0.000 0.788 1325 E HN 0.536 nan 8.360 nan 0.000 0.521 1326 M N 0.800 120.255 119.600 -0.242 0.000 2.502 1326 M HA 0.181 4.661 4.480 -0.001 0.000 0.243 1326 M C 0.662 176.782 176.300 -0.299 0.000 1.130 1326 M CA 0.088 55.145 55.300 -0.406 0.000 1.055 1326 M CB -0.263 31.749 32.600 -0.979 0.000 1.457 1326 M HN -0.062 nan 8.290 nan 0.000 0.488 1327 R N 1.925 122.329 120.500 -0.160 0.000 2.643 1327 R HA 0.150 4.489 4.340 -0.001 0.000 0.270 1327 R C -2.095 174.136 176.300 -0.114 0.000 1.061 1327 R CA -1.247 54.807 56.100 -0.077 0.000 1.107 1327 R CB -0.207 30.087 30.300 -0.009 0.000 0.999 1327 R HN 0.044 nan 8.270 nan 0.000 0.460 1328 P HA -0.036 nan 4.420 nan 0.000 0.269 1328 P C -0.484 176.689 177.300 -0.212 0.000 1.215 1328 P CA -0.159 62.855 63.100 -0.143 0.000 0.780 1328 P CB 0.861 32.479 31.700 -0.136 0.000 0.898 1329 S N 1.245 116.844 115.700 -0.167 0.000 2.600 1329 S HA 0.157 4.627 4.470 -0.001 0.000 0.265 1329 S C 1.039 175.498 174.600 -0.236 0.000 1.325 1329 S CA -0.257 57.836 58.200 -0.177 0.000 1.002 1329 S CB -0.151 63.007 63.200 -0.070 0.000 0.921 1329 S HN 0.239 nan 8.310 nan 0.000 0.554 1330 F N 0.792 120.671 119.950 -0.119 0.000 2.216 1330 F HA -0.015 4.511 4.527 -0.001 0.000 0.300 1330 F C 2.982 178.692 175.800 -0.150 0.000 1.085 1330 F CA 1.371 59.255 58.000 -0.193 0.000 1.326 1330 F CB -0.887 37.974 39.000 -0.232 0.000 1.027 1330 F HN 0.658 nan 8.300 nan 0.000 0.497 1331 S N -0.398 115.336 115.700 0.057 0.000 2.359 1331 S HA -0.259 4.210 4.470 -0.001 0.000 0.224 1331 S C 2.188 176.787 174.600 -0.001 0.000 1.035 1331 S CA 1.597 59.808 58.200 0.019 0.000 1.018 1331 S CB -0.335 62.870 63.200 0.009 0.000 0.876 1331 S HN 0.518 nan 8.310 nan 0.000 0.448 1332 E N 0.292 120.478 120.200 -0.024 0.000 2.077 1332 E HA -0.146 4.204 4.350 -0.001 0.000 0.193 1332 E C 2.064 178.651 176.600 -0.021 0.000 0.989 1332 E CA 1.144 57.527 56.400 -0.028 0.000 0.800 1332 E CB -0.176 29.494 29.700 -0.049 0.000 0.746 1332 E HN 0.486 nan 8.360 nan 0.000 0.452 1333 L N 0.153 121.351 121.223 -0.043 0.000 2.046 1333 L HA -0.187 4.153 4.340 -0.001 0.000 0.208 1333 L C 2.563 179.451 176.870 0.030 0.000 1.077 1333 L CA 0.745 55.578 54.840 -0.012 0.000 0.747 1333 L CB -0.403 41.603 42.059 -0.088 0.000 0.896 1333 L HN 0.101 nan 8.230 nan 0.000 0.432 1334 V N -0.881 119.041 119.914 0.014 0.000 2.287 1334 V HA -0.338 3.781 4.120 -0.001 0.000 0.248 1334 V C 2.724 178.838 176.094 0.033 0.000 1.053 1334 V CA 2.096 64.409 62.300 0.022 0.000 1.027 1334 V CB -0.413 31.417 31.823 0.011 0.000 0.646 1334 V HN 0.482 nan 8.190 nan 0.000 0.447 1335 S N -0.366 115.350 115.700 0.027 0.000 2.351 1335 S HA -0.249 4.221 4.470 -0.001 0.000 0.220 1335 S C 2.179 176.806 174.600 0.045 0.000 1.035 1335 S CA 1.941 60.160 58.200 0.032 0.000 1.031 1335 S CB -0.247 62.965 63.200 0.020 0.000 0.928 1335 S HN 0.574 nan 8.310 nan 0.000 0.433 1336 R N 0.119 120.644 120.500 0.042 0.000 2.081 1336 R HA 0.030 4.369 4.340 -0.001 0.000 0.235 1336 R C 2.334 178.684 176.300 0.083 0.000 1.131 1336 R CA 1.734 57.865 56.100 0.052 0.000 0.960 1336 R CB -0.470 29.851 30.300 0.034 0.000 0.856 1336 R HN 0.481 nan 8.270 nan 0.000 0.436 1337 I N 0.622 121.249 120.570 0.096 0.000 2.353 1337 I HA -0.234 3.935 4.170 -0.001 0.000 0.248 1337 I C 2.598 178.802 176.117 0.146 0.000 1.119 1337 I CA 1.218 62.593 61.300 0.126 0.000 1.417 1337 I CB -0.324 37.764 38.000 0.146 0.000 1.078 1337 I HN 0.210 nan 8.210 nan 0.000 0.421 1338 S N 1.496 117.261 115.700 0.108 0.000 2.383 1338 S HA -0.183 4.286 4.470 -0.001 0.000 0.229 1338 S C 2.213 176.933 174.600 0.200 0.000 1.030 1338 S CA 1.013 59.295 58.200 0.136 0.000 1.002 1338 S CB -0.491 62.755 63.200 0.076 0.000 0.829 1338 S HN 0.393 nan 8.310 nan 0.000 0.467 1339 A N 2.035 124.941 122.820 0.143 0.000 1.873 1339 A HA 0.131 4.451 4.320 -0.001 0.000 0.215 1339 A C 2.244 179.919 177.584 0.152 0.000 1.186 1339 A CA 1.400 53.511 52.037 0.124 0.000 0.616 1339 A CB -0.827 18.221 19.000 0.081 0.000 0.823 1339 A HN 0.598 nan 8.150 nan 0.000 0.442 1340 I N -1.788 118.891 120.570 0.181 0.000 2.179 1340 I HA -0.244 3.926 4.170 -0.001 0.000 0.242 1340 I C 2.361 178.697 176.117 0.365 0.000 1.088 1340 I CA 1.702 63.146 61.300 0.240 0.000 1.357 1340 I CB -0.468 37.672 38.000 0.233 0.000 1.051 1340 I HN 0.418 nan 8.210 nan 0.000 0.409 1341 F N 2.255 122.306 119.950 0.168 0.000 2.091 1341 F HA -0.340 4.186 4.527 -0.001 0.000 0.299 1341 F C 2.846 178.763 175.800 0.194 0.000 1.103 1341 F CA 1.958 60.047 58.000 0.149 0.000 1.228 1341 F CB -0.462 38.570 39.000 0.053 0.000 0.984 1341 F HN 0.154 nan 8.300 nan 0.000 0.477 1342 S N -1.193 114.608 115.700 0.167 0.000 2.474 1342 S HA -0.180 4.289 4.470 -0.001 0.000 0.235 1342 S C 1.911 176.488 174.600 -0.038 0.000 0.997 1342 S CA 1.247 59.463 58.200 0.026 0.000 0.949 1342 S CB -1.483 61.778 63.200 0.101 0.000 0.766 1342 S HN 0.621 nan 8.310 nan 0.000 0.517 1343 T N -1.849 112.697 114.554 -0.014 0.000 3.085 1343 T HA 0.263 4.612 4.350 -0.001 0.000 0.263 1343 T C 0.223 174.745 174.700 -0.297 0.000 1.127 1343 T CA -0.223 61.783 62.100 -0.156 0.000 1.103 1343 T CB -0.622 68.113 68.868 -0.222 0.000 0.921 1343 T HN 0.291 nan 8.240 nan 0.000 0.510 1344 F N 0.820 120.656 119.950 -0.189 0.000 2.397 1344 F HA 0.645 5.171 4.527 -0.001 0.000 0.331 1344 F C 0.355 176.016 175.800 -0.232 0.000 1.090 1344 F CA -1.652 56.227 58.000 -0.202 0.000 1.065 1344 F CB 1.002 39.861 39.000 -0.234 0.000 1.184 1344 F HN -0.035 nan 8.300 nan 0.000 0.499 1345 I N 1.308 121.886 120.570 0.013 0.000 2.562 1345 I HA 0.653 4.822 4.170 -0.001 0.000 0.301 1345 I C 0.431 176.531 176.117 -0.027 0.000 1.003 1345 I CA -0.505 60.772 61.300 -0.040 0.000 1.127 1345 I CB 1.458 39.432 38.000 -0.044 0.000 1.304 1345 I HN 0.779 nan 8.210 nan 0.000 0.446 1346 G N 0.000 108.764 108.800 -0.059 0.000 5.446 1346 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 1346 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 1346 G CA 0.000 45.065 45.100 -0.059 0.000 0.502 1346 G HN 0.000 nan 8.290 nan 0.000 0.925