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 2g15_1_A DATA FIRST_RESID 1046 DATA SEQUENCE LLQNTVHIDL SALNPELVQA VQHVVIGPSS LIVHFNEVIG RGHFGCVYHG DATA SEQUENCE TLLDNDGKKI HCAVKSLNRI TDIGEVSQFL TEGIIMKDFS HPNVLSLLGI DATA SEQUENCE CLRSEGSPLV VLPYMKHGDL RNFIRNETHN PTVKDLIGFG LQVAKGMKYL DATA SEQUENCE ASKKFVHRDL AARNCMLDEK FTVKVADFGL ARDMYDKEYY SVHNKTGAKL DATA SEQUENCE PVKWMALESL QTQKFTTKSD VWSFGVLLWE LMTRGAPPYP DVNTFDITVY DATA SEQUENCE LLQGRRLLQP EYCPDPLYEV MLKCWHPKAE MRPSFSELVS RISAIFSTFI DATA SEQUENCE G 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 1046 L HA 0.000 nan 4.340 nan 0.000 0.249 1046 L C 0.000 176.882 176.870 0.021 0.000 1.165 1046 L CA 0.000 54.849 54.840 0.016 0.000 0.813 1046 L CB 0.000 42.067 42.059 0.013 0.000 0.961 1047 L N 1.129 122.367 121.223 0.024 0.000 2.669 1047 L HA 0.220 4.561 4.340 0.002 0.000 0.273 1047 L C 1.301 178.194 176.870 0.039 0.000 1.441 1047 L CA 0.074 54.933 54.840 0.032 0.000 0.745 1047 L CB 1.266 43.344 42.059 0.031 0.000 1.044 1047 L HN 0.188 nan 8.230 nan 0.000 0.523 1048 Q N 0.181 120.001 119.800 0.033 0.000 2.170 1048 Q HA -0.139 4.202 4.340 0.002 0.000 0.203 1048 Q C 0.577 176.598 176.000 0.035 0.000 0.976 1048 Q CA 1.647 57.468 55.803 0.028 0.000 0.858 1048 Q CB 0.248 28.997 28.738 0.019 0.000 0.907 1048 Q HN 0.547 nan 8.270 nan 0.000 0.433 1049 N N 0.119 118.848 118.700 0.049 0.000 2.254 1049 N HA 0.002 4.744 4.740 0.002 0.000 0.190 1049 N C 0.675 176.275 175.510 0.151 0.000 1.107 1049 N CA 1.237 54.327 53.050 0.066 0.000 0.869 1049 N CB 1.070 39.584 38.487 0.045 0.000 0.983 1049 N HN 0.469 nan 8.380 nan 0.000 0.487 1050 T N -3.649 110.987 114.554 0.137 0.000 3.091 1050 T HA 0.152 4.503 4.350 0.002 0.000 0.277 1050 T C 1.489 176.272 174.700 0.139 0.000 0.996 1050 T CA -0.179 61.998 62.100 0.129 0.000 0.897 1050 T CB -0.154 68.733 68.868 0.033 0.000 1.109 1050 T HN -0.175 nan 8.240 nan 0.000 0.534 1051 V N 3.381 123.404 119.914 0.181 0.000 2.439 1051 V HA -0.253 3.869 4.120 0.002 0.000 0.253 1051 V C 2.470 178.660 176.094 0.160 0.000 1.074 1051 V CA 2.471 64.850 62.300 0.130 0.000 1.076 1051 V CB -0.715 31.163 31.823 0.092 0.000 0.664 1051 V HN 0.899 nan 8.190 nan 0.000 0.461 1052 H N 0.042 119.110 119.070 -0.003 0.000 2.539 1052 H HA 0.232 4.789 4.556 0.002 0.000 0.267 1052 H C 0.686 176.010 175.328 -0.006 0.000 0.982 1052 H CA 0.235 56.281 56.048 -0.004 0.000 1.146 1052 H CB -0.628 29.131 29.762 -0.005 0.000 1.382 1052 H HN 0.615 nan 8.280 nan 0.000 0.577 1053 I N -1.519 118.865 120.570 -0.310 0.000 2.569 1053 I HA 0.388 4.559 4.170 0.002 0.000 0.296 1053 I C -0.936 175.107 176.117 -0.124 0.000 1.028 1053 I CA -1.168 59.971 61.300 -0.269 0.000 1.082 1053 I CB 2.659 40.434 38.000 -0.375 0.000 1.264 1053 I HN -0.290 nan 8.210 nan 0.000 0.429 1054 D N 6.179 126.527 120.400 -0.087 0.000 2.344 1054 D HA 0.289 4.930 4.640 0.002 0.000 0.253 1054 D C 0.076 176.348 176.300 -0.046 0.000 1.255 1054 D CA 0.095 54.064 54.000 -0.052 0.000 0.894 1054 D CB 0.769 41.546 40.800 -0.039 0.000 1.067 1054 D HN 0.663 nan 8.370 nan 0.000 0.492 1055 L N 2.825 124.027 121.223 -0.035 0.000 3.122 1055 L HA 0.048 4.389 4.340 0.002 0.000 0.274 1055 L C 2.038 178.900 176.870 -0.013 0.000 1.222 1055 L CA -0.148 54.677 54.840 -0.025 0.000 1.028 1055 L CB 0.185 42.230 42.059 -0.023 0.000 1.386 1055 L HN 0.293 nan 8.230 nan 0.000 0.578 1056 S N 0.455 116.148 115.700 -0.013 0.000 2.419 1056 S HA -0.201 4.270 4.470 0.002 0.000 0.235 1056 S C 2.005 176.602 174.600 -0.004 0.000 1.019 1056 S CA 1.054 59.250 58.200 -0.007 0.000 0.982 1056 S CB -0.158 63.039 63.200 -0.006 0.000 0.789 1056 S HN 0.402 nan 8.310 nan 0.000 0.490 1057 A N 1.071 123.887 122.820 -0.006 0.000 2.168 1057 A HA 0.364 4.685 4.320 0.002 0.000 0.215 1057 A C 1.082 178.666 177.584 0.001 0.000 1.152 1057 A CA 0.329 52.365 52.037 -0.003 0.000 0.716 1057 A CB -0.473 18.525 19.000 -0.004 0.000 0.794 1057 A HN 0.575 nan 8.150 nan 0.000 0.465 1058 L N -1.090 120.134 121.223 0.001 0.000 2.448 1058 L HA 0.259 4.600 4.340 0.002 0.000 0.258 1058 L C 0.403 177.276 176.870 0.006 0.000 1.104 1058 L CA -0.993 53.850 54.840 0.005 0.000 0.800 1058 L CB 0.258 42.319 42.059 0.004 0.000 1.241 1058 L HN 0.215 nan 8.230 nan 0.000 0.472 1059 N N 0.749 119.453 118.700 0.008 0.000 2.468 1059 N HA 0.081 4.822 4.740 0.002 0.000 0.265 1059 N C -1.983 173.532 175.510 0.007 0.000 1.199 1059 N CA -1.193 51.862 53.050 0.008 0.000 0.928 1059 N CB 1.096 39.589 38.487 0.010 0.000 1.059 1059 N HN 0.200 nan 8.380 nan 0.000 0.467 1060 P HA -0.144 nan 4.420 nan 0.000 0.218 1060 P C 0.384 177.690 177.300 0.010 0.000 1.148 1060 P CA 1.344 64.448 63.100 0.008 0.000 0.822 1060 P CB 0.213 31.918 31.700 0.007 0.000 0.784 1061 E N -0.797 119.409 120.200 0.010 0.000 2.106 1061 E HA -0.155 4.196 4.350 0.002 0.000 0.192 1061 E C 1.908 178.516 176.600 0.014 0.000 0.984 1061 E CA 0.740 57.147 56.400 0.012 0.000 0.806 1061 E CB -0.751 28.956 29.700 0.011 0.000 0.750 1061 E HN 0.178 nan 8.360 nan 0.000 0.458 1062 L N 1.192 122.422 121.223 0.011 0.000 2.017 1062 L HA -0.152 4.189 4.340 0.002 0.000 0.208 1062 L C 2.286 179.159 176.870 0.006 0.000 1.073 1062 L CA 1.423 56.267 54.840 0.008 0.000 0.745 1062 L CB -0.463 41.599 42.059 0.004 0.000 0.894 1062 L HN -0.100 nan 8.230 nan 0.000 0.432 1063 V N 0.992 120.910 119.914 0.006 0.000 2.332 1063 V HA -0.337 3.784 4.120 0.002 0.000 0.248 1063 V C 2.709 178.812 176.094 0.015 0.000 1.055 1063 V CA 2.214 64.517 62.300 0.005 0.000 1.038 1063 V CB -1.139 30.687 31.823 0.005 0.000 0.651 1063 V HN 0.766 nan 8.190 nan 0.000 0.450 1064 Q N 0.580 120.393 119.800 0.022 0.000 2.311 1064 Q HA -0.012 4.329 4.340 0.002 0.000 0.203 1064 Q C 2.145 178.182 176.000 0.061 0.000 0.954 1064 Q CA 1.495 57.319 55.803 0.034 0.000 0.885 1064 Q CB -0.432 28.322 28.738 0.026 0.000 0.963 1064 Q HN 0.550 nan 8.270 nan 0.000 0.471 1065 A N 2.008 124.864 122.820 0.059 0.000 2.014 1065 A HA -0.049 4.272 4.320 0.002 0.000 0.218 1065 A C 2.263 179.934 177.584 0.145 0.000 1.163 1065 A CA 1.323 53.425 52.037 0.108 0.000 0.652 1065 A CB -0.513 18.528 19.000 0.068 0.000 0.808 1065 A HN 0.365 nan 8.150 nan 0.000 0.449 1066 V N -3.178 116.752 119.914 0.026 0.000 3.129 1066 V HA -0.088 4.034 4.120 0.002 0.000 0.259 1066 V C 2.048 178.088 176.094 -0.091 0.000 1.116 1066 V CA 1.750 63.998 62.300 -0.087 0.000 1.127 1066 V CB -0.742 31.026 31.823 -0.093 0.000 0.742 1066 V HN 0.350 nan 8.190 nan 0.000 0.474 1067 Q N 2.030 121.842 119.800 0.019 0.000 2.096 1067 Q HA -0.256 4.085 4.340 0.002 0.000 0.208 1067 Q C 2.248 178.267 176.000 0.033 0.000 0.993 1067 Q CA 2.658 58.483 55.803 0.036 0.000 0.862 1067 Q CB -0.740 28.040 28.738 0.070 0.000 0.915 1067 Q HN 1.029 nan 8.270 nan 0.000 0.416 1068 H N -1.733 117.327 119.070 -0.017 0.000 2.559 1068 H HA 0.044 4.601 4.556 0.002 0.000 0.273 1068 H C 1.219 176.532 175.328 -0.024 0.000 1.000 1068 H CA 1.211 57.249 56.048 -0.017 0.000 1.195 1068 H CB -0.028 29.725 29.762 -0.015 0.000 1.368 1068 H HN 0.166 nan 8.280 nan 0.000 0.592 1069 V N 0.830 120.468 119.914 -0.460 0.000 3.471 1069 V HA 0.035 4.156 4.120 0.002 0.000 0.258 1069 V C 1.171 177.161 176.094 -0.174 0.000 1.192 1069 V CA 0.074 62.153 62.300 -0.368 0.000 1.116 1069 V CB 0.291 31.855 31.823 -0.432 0.000 0.792 1069 V HN 0.073 nan 8.190 nan 0.000 0.459 1070 V N 2.195 122.040 119.914 -0.115 0.000 2.555 1070 V HA 0.262 4.383 4.120 0.002 0.000 0.286 1070 V C -0.050 176.030 176.094 -0.023 0.000 1.044 1070 V CA 0.109 62.380 62.300 -0.050 0.000 1.026 1070 V CB 1.206 33.020 31.823 -0.014 0.000 0.981 1070 V HN 0.230 nan 8.190 nan 0.000 0.480 1071 I N 3.313 123.876 120.570 -0.012 0.000 2.441 1071 I HA 0.514 4.685 4.170 0.002 0.000 0.295 1071 I C 0.926 177.046 176.117 0.006 0.000 0.994 1071 I CA -0.367 60.930 61.300 -0.004 0.000 1.144 1071 I CB 1.748 39.744 38.000 -0.006 0.000 1.314 1071 I HN 0.715 nan 8.210 nan 0.000 0.445 1072 G N 5.221 114.020 108.800 -0.000 0.000 2.403 1072 G HA2 0.262 4.223 3.960 0.002 0.000 0.259 1072 G HA3 0.262 4.223 3.960 0.002 0.000 0.259 1072 G C -1.933 172.964 174.900 -0.005 0.000 1.244 1072 G CA -0.974 44.123 45.100 -0.006 0.000 0.849 1072 G HN 0.413 nan 8.290 nan 0.000 0.532 1073 P HA -0.175 nan 4.420 nan 0.000 0.216 1073 P C 2.187 179.479 177.300 -0.013 0.000 1.154 1073 P CA 1.619 64.719 63.100 -0.001 0.000 0.865 1073 P CB 0.249 31.952 31.700 0.004 0.000 0.789 1074 S N -0.911 114.778 115.700 -0.018 0.000 2.400 1074 S HA -0.120 4.351 4.470 0.002 0.000 0.232 1074 S C 1.802 176.390 174.600 -0.020 0.000 1.025 1074 S CA 1.568 59.755 58.200 -0.020 0.000 0.993 1074 S CB -0.872 62.315 63.200 -0.022 0.000 0.808 1074 S HN 0.219 nan 8.310 nan 0.000 0.478 1075 S N 0.404 116.094 115.700 -0.017 0.000 2.603 1075 S HA 0.240 4.711 4.470 0.002 0.000 0.220 1075 S C 0.059 174.648 174.600 -0.018 0.000 0.967 1075 S CA -0.008 58.183 58.200 -0.014 0.000 0.920 1075 S CB -0.055 63.140 63.200 -0.008 0.000 0.773 1075 S HN 0.300 nan 8.310 nan 0.000 0.529 1076 L N 1.477 122.684 121.223 -0.028 0.000 2.381 1076 L HA 0.581 4.922 4.340 0.002 0.000 0.274 1076 L C -1.338 175.480 176.870 -0.087 0.000 0.988 1076 L CA -0.496 54.317 54.840 -0.044 0.000 0.824 1076 L CB 1.234 43.272 42.059 -0.034 0.000 1.263 1076 L HN 0.014 nan 8.230 nan 0.000 0.410 1077 I N 5.981 126.470 120.570 -0.135 0.000 2.354 1077 I HA 0.371 4.542 4.170 0.002 0.000 0.286 1077 I C -0.713 175.136 176.117 -0.446 0.000 1.007 1077 I CA -0.811 60.335 61.300 -0.256 0.000 1.167 1077 I CB 1.706 39.554 38.000 -0.254 0.000 1.320 1077 I HN 0.250 nan 8.210 nan 0.000 0.458 1078 V N 5.640 125.256 119.914 -0.497 0.000 2.407 1078 V HA 0.198 4.319 4.120 0.002 0.000 0.278 1078 V C 0.255 175.852 176.094 -0.829 0.000 1.037 1078 V CA -0.633 61.253 62.300 -0.691 0.000 0.900 1078 V CB 0.740 31.951 31.823 -1.020 0.000 0.983 1078 V HN 0.555 nan 8.190 nan 0.000 0.459 1079 H N 5.754 124.633 119.070 -0.318 0.000 2.882 1079 H HA 0.223 4.780 4.556 0.002 0.000 0.258 1079 H C 0.594 175.826 175.328 -0.161 0.000 1.579 1079 H CA -0.183 55.767 56.048 -0.164 0.000 1.340 1079 H CB 0.164 29.903 29.762 -0.038 0.000 1.645 1079 H HN 0.652 nan 8.280 nan 0.000 0.541 1080 F N 0.870 120.751 119.950 -0.114 0.000 2.373 1080 F HA -0.158 4.370 4.527 0.003 0.000 0.300 1080 F C 1.794 177.591 175.800 -0.004 0.000 1.080 1080 F CA 0.621 58.427 58.000 -0.323 0.000 1.417 1080 F CB 0.116 38.881 39.000 -0.392 0.000 1.070 1080 F HN 0.357 nan 8.300 nan 0.000 0.546 1081 N N 0.262 119.101 118.700 0.232 0.000 2.336 1081 N HA 0.002 4.743 4.740 0.002 0.000 0.189 1081 N C -0.383 175.263 175.510 0.226 0.000 1.113 1081 N CA 0.449 53.624 53.050 0.208 0.000 0.858 1081 N CB 0.076 38.646 38.487 0.138 0.000 0.970 1081 N HN 0.399 nan 8.380 nan 0.000 0.471 1082 E N 0.840 121.216 120.200 0.293 0.000 2.207 1082 E HA 0.290 4.641 4.350 0.002 0.000 0.250 1082 E C -0.837 176.042 176.600 0.465 0.000 0.890 1082 E CA -0.339 56.250 56.400 0.315 0.000 0.749 1082 E CB 2.127 31.958 29.700 0.218 0.000 1.193 1082 E HN -0.180 nan 8.360 nan 0.000 0.423 1083 V N 4.227 124.351 119.914 0.349 0.000 2.509 1083 V HA 0.149 4.270 4.120 0.002 0.000 0.284 1083 V C 0.593 176.783 176.094 0.160 0.000 1.047 1083 V CA -0.693 61.738 62.300 0.219 0.000 0.952 1083 V CB 1.061 32.954 31.823 0.116 0.000 0.988 1083 V HN 0.648 nan 8.190 nan 0.000 0.469 1084 I N 4.696 125.252 120.570 -0.023 0.000 2.668 1084 I HA 0.170 4.341 4.170 0.002 0.000 0.285 1084 I C 1.461 177.584 176.117 0.010 0.000 1.168 1084 I CA 1.643 62.876 61.300 -0.112 0.000 1.424 1084 I CB -0.512 37.422 38.000 -0.109 0.000 1.377 1084 I HN 0.974 nan 8.210 nan 0.000 0.560 1085 G N 8.017 116.865 108.800 0.080 0.000 2.646 1085 G HA2 -0.380 3.581 3.960 0.002 0.000 0.324 1085 G HA3 -0.380 3.581 3.960 0.002 0.000 0.324 1085 G C 1.081 175.986 174.900 0.009 0.000 1.195 1085 G CA 0.374 45.498 45.100 0.039 0.000 0.976 1085 G HN 0.632 nan 8.290 nan 0.000 0.546 1086 R N 2.044 122.509 120.500 -0.059 0.000 2.310 1086 R HA 0.368 4.709 4.340 0.002 0.000 0.202 1086 R C 1.985 178.261 176.300 -0.039 0.000 0.933 1086 R CA 1.064 57.160 56.100 -0.007 0.000 1.054 1086 R CB -0.284 30.049 30.300 0.055 0.000 0.985 1086 R HN 1.808 nan 8.270 nan 0.000 0.489 1087 G N 0.525 109.261 108.800 -0.106 0.000 2.168 1087 G HA2 -0.340 3.621 3.960 0.002 0.000 0.257 1087 G HA3 -0.340 3.621 3.960 0.002 0.000 0.257 1087 G C 0.300 175.038 174.900 -0.269 0.000 0.997 1087 G CA 0.837 45.859 45.100 -0.129 0.000 0.708 1087 G HN 0.489 nan 8.290 nan 0.000 0.520 1088 H N -0.962 117.801 119.070 -0.510 0.000 2.524 1088 H HA 0.289 4.847 4.556 0.003 0.000 0.282 1088 H C 0.712 175.610 175.328 -0.717 0.000 1.016 1088 H CA 1.294 56.924 56.048 -0.696 0.000 1.270 1088 H CB 0.022 29.331 29.762 -0.754 0.000 1.394 1088 H HN 0.530 nan 8.280 nan 0.000 0.568 1089 F N -1.058 118.889 119.950 -0.005 0.000 2.434 1089 F HA 0.314 4.842 4.527 0.002 0.000 0.355 1089 F C 1.391 177.286 175.800 0.158 0.000 1.115 1089 F CA -0.854 57.304 58.000 0.264 0.000 1.010 1089 F CB 1.707 40.792 39.000 0.141 0.000 1.234 1089 F HN -0.048 nan 8.300 nan 0.000 0.439 1090 G N 0.600 109.680 108.800 0.466 0.000 2.471 1090 G HA2 -0.217 3.744 3.960 0.002 0.000 0.219 1090 G HA3 -0.217 3.744 3.960 0.002 0.000 0.219 1090 G C 1.046 175.954 174.900 0.013 0.000 1.125 1090 G CA 0.831 46.052 45.100 0.202 0.000 0.775 1090 G HN 0.828 nan 8.290 nan 0.000 0.548 1091 C N -0.193 119.124 119.300 0.027 0.000 2.525 1091 C HA 0.679 5.140 4.460 0.002 0.000 0.313 1091 C C 0.181 175.011 174.990 -0.267 0.000 1.311 1091 C CA -1.459 57.516 59.018 -0.071 0.000 1.725 1091 C CB -1.397 26.377 27.740 0.057 0.000 1.926 1091 C HN -0.026 nan 8.230 nan 0.000 0.595 1092 V N 1.632 121.271 119.914 -0.459 0.000 2.483 1092 V HA 0.522 4.643 4.120 0.002 0.000 0.297 1092 V C -0.966 174.849 176.094 -0.464 0.000 1.027 1092 V CA -0.222 61.895 62.300 -0.304 0.000 0.855 1092 V CB 0.832 32.661 31.823 0.010 0.000 0.995 1092 V HN 0.448 nan 8.190 nan 0.000 0.424 1093 Y N 1.818 122.157 120.300 0.066 0.000 2.598 1093 Y HA 0.578 5.129 4.550 0.001 0.000 0.340 1093 Y C 0.596 176.505 175.900 0.015 0.000 1.038 1093 Y CA -1.198 56.927 58.100 0.042 0.000 1.100 1093 Y CB 1.008 39.476 38.460 0.013 0.000 1.281 1093 Y HN 0.504 nan 8.280 nan 0.000 0.488 1094 H N 0.396 119.636 119.070 0.284 0.000 2.764 1094 H HA 0.447 5.004 4.556 0.002 0.000 0.341 1094 H C 0.059 175.549 175.328 0.270 0.000 1.072 1094 H CA 0.476 56.674 56.048 0.250 0.000 1.444 1094 H CB 1.052 30.904 29.762 0.150 0.000 1.458 1094 H HN 0.906 nan 8.280 nan 0.000 0.572 1095 G N 0.838 109.854 108.800 0.360 0.000 2.680 1095 G HA2 0.401 4.363 3.960 0.002 0.000 0.290 1095 G HA3 0.401 4.363 3.960 0.002 0.000 0.290 1095 G C -1.090 173.943 174.900 0.221 0.000 1.355 1095 G CA -0.556 44.675 45.100 0.218 0.000 0.903 1095 G HN 0.474 nan 8.290 nan 0.000 0.474 1096 T N 0.811 115.435 114.554 0.116 0.000 2.847 1096 T HA 0.425 4.776 4.350 0.002 0.000 0.291 1096 T C -1.009 173.711 174.700 0.033 0.000 0.998 1096 T CA -0.263 61.894 62.100 0.096 0.000 0.967 1096 T CB 1.333 70.272 68.868 0.117 0.000 0.954 1096 T HN 0.445 nan 8.240 nan 0.000 0.441 1097 L N 5.742 126.990 121.223 0.043 0.000 2.272 1097 L HA 0.615 4.956 4.340 0.002 0.000 0.289 1097 L C -0.989 175.892 176.870 0.019 0.000 1.032 1097 L CA -0.586 54.268 54.840 0.023 0.000 0.810 1097 L CB 0.421 42.498 42.059 0.030 0.000 1.205 1097 L HN 0.555 nan 8.230 nan 0.000 0.422 1098 L N 4.184 125.411 121.223 0.007 0.000 2.275 1098 L HA 0.586 4.927 4.340 0.002 0.000 0.288 1098 L C 0.077 176.950 176.870 0.005 0.000 1.046 1098 L CA -0.473 54.370 54.840 0.005 0.000 0.805 1098 L CB 0.925 42.983 42.059 -0.001 0.000 1.193 1098 L HN 0.569 nan 8.230 nan 0.000 0.426 1099 D N 1.177 121.582 120.400 0.008 0.000 2.570 1099 D HA 0.190 4.831 4.640 0.002 0.000 0.266 1099 D C 0.854 177.158 176.300 0.006 0.000 1.182 1099 D CA -0.504 53.501 54.000 0.008 0.000 1.088 1099 D CB 0.932 41.739 40.800 0.012 0.000 1.186 1099 D HN 0.512 nan 8.370 nan 0.000 0.618 1100 N N 0.536 119.240 118.700 0.007 0.000 2.096 1100 N HA -0.202 4.539 4.740 0.002 0.000 0.198 1100 N C 0.775 176.287 175.510 0.004 0.000 1.017 1100 N CA 1.463 54.517 53.050 0.006 0.000 0.889 1100 N CB -0.538 37.954 38.487 0.008 0.000 1.081 1100 N HN 0.486 nan 8.380 nan 0.000 0.549 1101 D N -1.163 119.240 120.400 0.005 0.000 2.312 1101 D HA 0.221 4.862 4.640 0.002 0.000 0.290 1101 D C 1.684 177.986 176.300 0.003 0.000 1.170 1101 D CA 0.430 54.432 54.000 0.004 0.000 1.085 1101 D CB -0.390 40.412 40.800 0.004 0.000 1.154 1101 D HN 0.150 nan 8.370 nan 0.000 0.535 1102 G N -0.209 108.592 108.800 0.003 0.000 2.433 1102 G HA2 -0.234 3.727 3.960 0.002 0.000 0.216 1102 G HA3 -0.234 3.727 3.960 0.002 0.000 0.216 1102 G C 0.357 175.259 174.900 0.004 0.000 1.186 1102 G CA 0.852 45.953 45.100 0.002 0.000 0.779 1102 G HN 0.567 nan 8.290 nan 0.000 0.543 1103 K N 0.777 121.181 120.400 0.006 0.000 4.923 1103 K HA -0.199 4.122 4.320 0.002 0.000 0.290 1103 K C -0.487 176.121 176.600 0.012 0.000 0.699 1103 K CA 0.517 56.810 56.287 0.010 0.000 0.799 1103 K CB -0.582 31.925 32.500 0.011 0.000 2.041 1103 K HN 0.279 nan 8.250 nan 0.000 0.378 1104 K N 4.355 124.762 120.400 0.012 0.000 2.248 1104 K HA 0.297 4.618 4.320 0.002 0.000 0.281 1104 K C 0.076 176.693 176.600 0.028 0.000 1.054 1104 K CA -0.528 55.767 56.287 0.014 0.000 0.903 1104 K CB 0.930 33.432 32.500 0.003 0.000 1.077 1104 K HN 0.334 nan 8.250 nan 0.000 0.474 1105 I N 2.712 123.307 120.570 0.043 0.000 2.436 1105 I HA 0.134 4.306 4.170 0.002 0.000 0.289 1105 I C 0.151 176.343 176.117 0.125 0.000 1.010 1105 I CA -0.641 60.703 61.300 0.074 0.000 1.098 1105 I CB 1.499 39.536 38.000 0.062 0.000 1.266 1105 I HN 0.642 nan 8.210 nan 0.000 0.434 1106 H N 5.758 124.836 119.070 0.012 0.000 2.767 1106 H HA 0.353 4.910 4.556 0.002 0.000 0.316 1106 H C -0.346 175.020 175.328 0.064 0.000 1.059 1106 H CA -0.373 55.670 56.048 -0.009 0.000 1.461 1106 H CB 0.849 30.558 29.762 -0.088 0.000 1.475 1106 H HN 0.844 nan 8.280 nan 0.000 0.531 1107 C N 2.957 122.471 119.300 0.356 0.000 3.213 1107 C HA 0.897 5.358 4.460 0.002 0.000 0.319 1107 C C -0.458 174.648 174.990 0.193 0.000 1.386 1107 C CA -0.782 58.349 59.018 0.189 0.000 1.494 1107 C CB 0.814 28.626 27.740 0.120 0.000 1.905 1107 C HN 0.938 nan 8.230 nan 0.000 0.456 1108 A N 0.624 123.514 122.820 0.116 0.000 2.318 1108 A HA 0.749 5.070 4.320 0.002 0.000 0.317 1108 A C -0.888 176.732 177.584 0.060 0.000 1.159 1108 A CA -0.382 51.705 52.037 0.082 0.000 0.799 1108 A CB 0.731 19.755 19.000 0.040 0.000 1.194 1108 A HN 1.297 nan 8.150 nan 0.000 0.479 1109 V N 3.252 123.216 119.914 0.083 0.000 2.384 1109 V HA 0.386 4.507 4.120 0.002 0.000 0.287 1109 V C 0.179 176.345 176.094 0.121 0.000 1.020 1109 V CA -0.635 61.718 62.300 0.089 0.000 0.850 1109 V CB 1.462 33.330 31.823 0.075 0.000 0.987 1109 V HN 0.897 nan 8.190 nan 0.000 0.436 1110 K N 2.858 123.306 120.400 0.080 0.000 2.185 1110 K HA 0.547 4.868 4.320 0.002 0.000 0.269 1110 K C -0.285 176.394 176.600 0.132 0.000 0.987 1110 K CA -0.174 56.158 56.287 0.075 0.000 0.865 1110 K CB 1.442 33.946 32.500 0.007 0.000 1.090 1110 K HN 0.677 nan 8.250 nan 0.000 0.450 1111 S N 4.720 120.533 115.700 0.189 0.000 2.442 1111 S HA 0.481 4.952 4.470 0.002 0.000 0.297 1111 S C -0.629 174.029 174.600 0.097 0.000 1.131 1111 S CA -0.790 57.526 58.200 0.193 0.000 1.092 1111 S CB 0.327 63.732 63.200 0.342 0.000 0.998 1111 S HN 0.545 nan 8.310 nan 0.000 0.478 1112 L N 3.993 125.235 121.223 0.031 0.000 2.322 1112 L HA 0.563 4.904 4.340 0.002 0.000 0.269 1112 L C 0.309 177.138 176.870 -0.068 0.000 1.012 1112 L CA -1.226 53.592 54.840 -0.036 0.000 0.815 1112 L CB 1.221 43.212 42.059 -0.114 0.000 1.295 1112 L HN 0.566 nan 8.230 nan 0.000 0.438 1113 N N 1.111 119.759 118.700 -0.087 0.000 2.482 1113 N HA 0.098 4.839 4.740 0.002 0.000 0.260 1113 N C -0.219 175.208 175.510 -0.139 0.000 1.236 1113 N CA -0.302 52.691 53.050 -0.095 0.000 0.938 1113 N CB 0.637 39.065 38.487 -0.098 0.000 1.128 1113 N HN 0.478 nan 8.380 nan 0.000 0.448 1114 R N 1.382 121.810 120.500 -0.119 0.000 2.583 1114 R HA 0.032 4.374 4.340 0.002 0.000 0.274 1114 R C -0.388 175.818 176.300 -0.156 0.000 0.998 1114 R CA 0.257 56.276 56.100 -0.135 0.000 1.081 1114 R CB 0.078 30.320 30.300 -0.096 0.000 0.940 1114 R HN 0.508 nan 8.270 nan 0.000 0.413 1115 I N 5.010 125.464 120.570 -0.194 0.000 2.307 1115 I HA 0.092 4.263 4.170 0.002 0.000 0.289 1115 I C 1.168 177.214 176.117 -0.118 0.000 1.021 1115 I CA -0.376 60.818 61.300 -0.176 0.000 1.224 1115 I CB 1.794 39.636 38.000 -0.264 0.000 1.376 1115 I HN 0.817 nan 8.210 nan 0.000 0.470 1116 T N -0.371 114.131 114.554 -0.086 0.000 3.069 1116 T HA 0.062 4.414 4.350 0.002 0.000 0.252 1116 T C 0.480 175.155 174.700 -0.041 0.000 1.053 1116 T CA -0.238 61.825 62.100 -0.061 0.000 0.964 1116 T CB 0.088 68.924 68.868 -0.054 0.000 1.005 1116 T HN 0.496 nan 8.240 nan 0.000 0.532 1117 D N 0.962 121.341 120.400 -0.035 0.000 2.249 1117 D HA 0.246 4.888 4.640 0.002 0.000 0.246 1117 D C 1.097 177.397 176.300 -0.001 0.000 1.114 1117 D CA -0.387 53.606 54.000 -0.012 0.000 0.854 1117 D CB 1.086 41.885 40.800 -0.002 0.000 1.132 1117 D HN 0.146 nan 8.370 nan 0.000 0.461 1118 I N 3.301 123.872 120.570 0.002 0.000 2.208 1118 I HA -0.232 3.939 4.170 0.002 0.000 0.245 1118 I C 2.436 178.569 176.117 0.026 0.000 1.097 1118 I CA 1.367 62.672 61.300 0.008 0.000 1.363 1118 I CB -0.231 37.772 38.000 0.006 0.000 1.051 1118 I HN 0.557 nan 8.210 nan 0.000 0.413 1119 G N 0.278 109.099 108.800 0.035 0.000 2.418 1119 G HA2 -0.208 3.753 3.960 0.002 0.000 0.217 1119 G HA3 -0.208 3.753 3.960 0.002 0.000 0.217 1119 G C 1.558 176.511 174.900 0.088 0.000 1.158 1119 G CA 0.498 45.631 45.100 0.054 0.000 0.771 1119 G HN 0.285 nan 8.290 nan 0.000 0.545 1120 E N 0.344 120.604 120.200 0.099 0.000 2.152 1120 E HA -0.037 4.314 4.350 0.002 0.000 0.192 1120 E C 2.853 179.550 176.600 0.163 0.000 0.983 1120 E CA 0.414 56.927 56.400 0.188 0.000 0.818 1120 E CB -0.406 29.398 29.700 0.173 0.000 0.758 1120 E HN 0.321 nan 8.360 nan 0.000 0.467 1121 V N 1.947 121.900 119.914 0.065 0.000 2.343 1121 V HA -0.254 3.867 4.120 0.002 0.000 0.247 1121 V C 2.625 178.768 176.094 0.081 0.000 1.051 1121 V CA 2.028 64.352 62.300 0.039 0.000 1.036 1121 V CB -0.764 31.061 31.823 0.003 0.000 0.654 1121 V HN 0.335 nan 8.190 nan 0.000 0.451 1122 S N -0.733 115.006 115.700 0.065 0.000 2.382 1122 S HA -0.257 4.215 4.470 0.002 0.000 0.228 1122 S C 1.916 176.554 174.600 0.064 0.000 1.027 1122 S CA 1.146 59.377 58.200 0.051 0.000 0.991 1122 S CB -0.404 62.821 63.200 0.042 0.000 0.823 1122 S HN 0.557 nan 8.310 nan 0.000 0.469 1123 Q N 0.290 120.163 119.800 0.121 0.000 2.046 1123 Q HA 0.000 4.342 4.340 0.002 0.000 0.200 1123 Q C 1.888 177.973 176.000 0.142 0.000 0.975 1123 Q CA 1.283 57.186 55.803 0.167 0.000 0.836 1123 Q CB -0.707 28.198 28.738 0.278 0.000 0.896 1123 Q HN 0.687 nan 8.270 nan 0.000 0.428 1124 F N 1.532 121.404 119.950 -0.130 0.000 2.069 1124 F HA -0.215 4.314 4.527 0.002 0.000 0.298 1124 F C 2.053 177.702 175.800 -0.251 0.000 1.113 1124 F CA 1.339 59.050 58.000 -0.481 0.000 1.214 1124 F CB -0.416 38.109 39.000 -0.791 0.000 0.978 1124 F HN -0.027 nan 8.300 nan 0.000 0.474 1125 L N -0.676 120.409 121.223 -0.229 0.000 2.083 1125 L HA -0.219 4.122 4.340 0.002 0.000 0.209 1125 L C 2.314 179.044 176.870 -0.233 0.000 1.083 1125 L CA 1.732 56.402 54.840 -0.284 0.000 0.752 1125 L CB -1.371 40.629 42.059 -0.098 0.000 0.899 1125 L HN 0.170 nan 8.230 nan 0.000 0.433 1126 T N -0.616 113.864 114.554 -0.123 0.000 2.708 1126 T HA -0.190 4.161 4.350 0.002 0.000 0.266 1126 T C 1.736 176.373 174.700 -0.106 0.000 1.037 1126 T CA 1.364 63.417 62.100 -0.078 0.000 1.146 1126 T CB -0.187 68.674 68.868 -0.011 0.000 0.865 1126 T HN 0.395 nan 8.240 nan 0.000 0.435 1127 E N 0.495 120.630 120.200 -0.109 0.000 2.153 1127 E HA -0.072 4.279 4.350 0.002 0.000 0.194 1127 E C 2.539 179.008 176.600 -0.217 0.000 0.988 1127 E CA 0.843 57.188 56.400 -0.092 0.000 0.811 1127 E CB -0.349 29.343 29.700 -0.013 0.000 0.746 1127 E HN 0.566 nan 8.360 nan 0.000 0.466 1128 G N 1.673 110.258 108.800 -0.359 0.000 2.421 1128 G HA2 -0.237 3.724 3.960 0.002 0.000 0.216 1128 G HA3 -0.237 3.724 3.960 0.002 0.000 0.216 1128 G C 1.627 176.353 174.900 -0.289 0.000 1.171 1128 G CA 0.548 45.412 45.100 -0.393 0.000 0.775 1128 G HN 0.111 nan 8.290 nan 0.000 0.543 1129 I N 0.575 120.998 120.570 -0.244 0.000 2.127 1129 I HA -0.183 3.988 4.170 0.002 0.000 0.241 1129 I C 2.719 178.734 176.117 -0.170 0.000 1.075 1129 I CA 0.937 62.133 61.300 -0.173 0.000 1.334 1129 I CB -0.263 37.687 38.000 -0.083 0.000 1.040 1129 I HN 0.148 nan 8.210 nan 0.000 0.405 1130 I N 0.026 120.465 120.570 -0.219 0.000 2.163 1130 I HA -0.374 3.797 4.170 0.002 0.000 0.243 1130 I C 2.688 178.375 176.117 -0.717 0.000 1.085 1130 I CA 1.790 62.846 61.300 -0.407 0.000 1.347 1130 I CB -0.255 37.568 38.000 -0.295 0.000 1.044 1130 I HN 0.311 nan 8.210 nan 0.000 0.408 1131 M N 0.577 119.915 119.600 -0.437 0.000 2.132 1131 M HA -0.240 4.241 4.480 0.002 0.000 0.263 1131 M C 2.293 178.524 176.300 -0.114 0.000 1.065 1131 M CA 1.761 56.909 55.300 -0.253 0.000 1.122 1131 M CB -0.064 32.429 32.600 -0.178 0.000 1.365 1131 M HN -0.046 nan 8.290 nan 0.000 0.411 1132 K N 0.796 121.113 120.400 -0.139 0.000 2.063 1132 K HA -0.187 4.134 4.320 0.002 0.000 0.208 1132 K C 1.095 177.716 176.600 0.035 0.000 1.048 1132 K CA 2.198 58.447 56.287 -0.063 0.000 0.928 1132 K CB -0.422 31.994 32.500 -0.140 0.000 0.713 1132 K HN 0.392 nan 8.250 nan 0.000 0.442 1133 D N -0.462 119.950 120.400 0.021 0.000 2.317 1133 D HA -0.015 4.626 4.640 0.002 0.000 0.211 1133 D C 0.146 176.584 176.300 0.230 0.000 0.966 1133 D CA 0.307 54.372 54.000 0.108 0.000 0.876 1133 D CB -0.072 40.777 40.800 0.083 0.000 0.927 1133 D HN 0.188 nan 8.370 nan 0.000 0.519 1134 F N 0.654 120.685 119.950 0.135 0.000 2.506 1134 F HA 0.084 4.612 4.527 0.002 0.000 0.351 1134 F C 1.067 176.939 175.800 0.121 0.000 1.136 1134 F CA -0.014 58.111 58.000 0.208 0.000 1.298 1134 F CB 0.741 39.867 39.000 0.210 0.000 1.145 1134 F HN -0.276 nan 8.300 nan 0.000 0.593 1135 S N 3.187 119.037 115.700 0.249 0.000 2.609 1135 S HA 0.240 4.711 4.470 0.002 0.000 0.250 1135 S C -1.557 172.851 174.600 -0.321 0.000 1.112 1135 S CA -0.486 57.712 58.200 -0.003 0.000 1.102 1135 S CB 0.279 63.512 63.200 0.055 0.000 1.124 1135 S HN 0.734 nan 8.310 nan 0.000 0.460 1136 H N 4.064 122.845 119.070 -0.483 0.000 3.086 1136 H HA 0.325 4.882 4.556 0.002 0.000 0.353 1136 H C -2.774 172.370 175.328 -0.306 0.000 1.134 1136 H CA -1.165 54.533 56.048 -0.584 0.000 1.248 1136 H CB 2.304 31.392 29.762 -1.123 0.000 1.878 1136 H HN 0.292 nan 8.280 nan 0.000 0.527 1137 P HA -0.057 nan 4.420 nan 0.000 0.218 1137 P C -0.078 177.151 177.300 -0.119 0.000 1.146 1137 P CA 1.376 64.280 63.100 -0.327 0.000 0.813 1137 P CB 0.249 31.714 31.700 -0.391 0.000 0.778 1138 N N -1.507 117.245 118.700 0.087 0.000 2.328 1138 N HA 0.195 4.937 4.740 0.002 0.000 0.247 1138 N C -1.143 174.405 175.510 0.063 0.000 1.165 1138 N CA -0.155 52.965 53.050 0.116 0.000 0.873 1138 N CB 0.758 39.333 38.487 0.145 0.000 1.125 1138 N HN -0.126 nan 8.380 nan 0.000 0.513 1139 V N 1.493 121.432 119.914 0.041 0.000 2.482 1139 V HA 0.199 4.320 4.120 0.002 0.000 0.295 1139 V C -0.213 175.952 176.094 0.118 0.000 1.026 1139 V CA -0.899 61.409 62.300 0.014 0.000 0.856 1139 V CB 2.249 34.000 31.823 -0.120 0.000 1.001 1139 V HN 0.260 nan 8.190 nan 0.000 0.424 1140 L N 5.154 126.511 121.223 0.223 0.000 2.601 1140 L HA 0.161 4.502 4.340 0.002 0.000 0.277 1140 L C 0.802 177.777 176.870 0.174 0.000 1.219 1140 L CA 0.906 55.845 54.840 0.165 0.000 0.915 1140 L CB 1.184 43.333 42.059 0.151 0.000 1.160 1140 L HN 0.960 nan 8.230 nan 0.000 0.494 1141 S N 5.564 121.309 115.700 0.075 0.000 2.730 1141 S HA 0.600 5.071 4.470 0.002 0.000 0.284 1141 S C -0.458 174.138 174.600 -0.007 0.000 1.153 1141 S CA -0.963 57.277 58.200 0.067 0.000 0.995 1141 S CB 2.272 65.500 63.200 0.047 0.000 1.058 1141 S HN 0.526 nan 8.310 nan 0.000 0.552 1142 L N 1.153 122.364 121.223 -0.020 0.000 2.325 1142 L HA 0.479 4.820 4.340 0.002 0.000 0.281 1142 L C 0.286 177.128 176.870 -0.046 0.000 1.004 1142 L CA -0.540 54.259 54.840 -0.069 0.000 0.823 1142 L CB 0.715 42.703 42.059 -0.118 0.000 1.236 1142 L HN 0.867 nan 8.230 nan 0.000 0.415 1143 L N 4.345 125.545 121.223 -0.038 0.000 2.109 1143 L HA 0.378 4.719 4.340 0.002 0.000 0.207 1143 L C 1.106 177.952 176.870 -0.040 0.000 1.086 1143 L CA 0.825 55.651 54.840 -0.023 0.000 0.760 1143 L CB -0.571 41.484 42.059 -0.006 0.000 0.910 1143 L HN 0.865 nan 8.230 nan 0.000 0.437 1144 G N -0.079 108.685 108.800 -0.061 0.000 2.341 1144 G HA2 0.285 4.247 3.960 0.002 0.000 0.293 1144 G HA3 0.285 4.247 3.960 0.002 0.000 0.293 1144 G C -1.726 173.131 174.900 -0.071 0.000 1.298 1144 G CA -0.474 44.577 45.100 -0.082 0.000 0.868 1144 G HN 0.065 nan 8.290 nan 0.000 0.540 1145 I N -2.703 117.824 120.570 -0.072 0.000 2.689 1145 I HA 0.777 4.948 4.170 0.002 0.000 0.299 1145 I C -0.582 175.540 176.117 0.008 0.000 1.059 1145 I CA -1.141 60.144 61.300 -0.024 0.000 1.055 1145 I CB 2.133 40.106 38.000 -0.045 0.000 1.243 1145 I HN 0.692 nan 8.210 nan 0.000 0.425 1146 C N 7.396 126.720 119.300 0.040 0.000 2.271 1146 C HA 0.663 5.124 4.460 0.002 0.000 0.323 1146 C C -0.134 174.894 174.990 0.062 0.000 1.245 1146 C CA -0.467 58.577 59.018 0.044 0.000 1.548 1146 C CB -0.469 27.294 27.740 0.038 0.000 2.214 1146 C HN 0.741 nan 8.230 nan 0.000 0.477 1147 L N 6.763 128.027 121.223 0.068 0.000 2.309 1147 L HA 0.683 5.024 4.340 0.002 0.000 0.282 1147 L C 0.373 177.290 176.870 0.079 0.000 1.036 1147 L CA -0.415 54.461 54.840 0.060 0.000 0.806 1147 L CB 0.960 43.045 42.059 0.043 0.000 1.220 1147 L HN 0.593 nan 8.230 nan 0.000 0.429 1148 R N 0.686 121.207 120.500 0.035 0.000 2.854 1148 R HA 0.478 4.819 4.340 0.002 0.000 0.271 1148 R C -0.576 175.700 176.300 -0.040 0.000 0.994 1148 R CA -0.780 55.349 56.100 0.048 0.000 0.945 1148 R CB 2.432 32.759 30.300 0.045 0.000 1.194 1148 R HN 0.768 nan 8.270 nan 0.000 0.476 1149 S N 0.519 116.189 115.700 -0.049 0.000 2.564 1149 S HA 0.070 4.541 4.470 0.002 0.000 0.278 1149 S C -0.055 174.511 174.600 -0.056 0.000 1.333 1149 S CA -0.567 57.578 58.200 -0.092 0.000 1.048 1149 S CB 0.674 63.829 63.200 -0.074 0.000 0.900 1149 S HN 0.690 nan 8.310 nan 0.000 0.505 1150 E N 0.593 120.752 120.200 -0.068 0.000 2.199 1150 E HA -0.183 4.168 4.350 0.002 0.000 0.208 1150 E C 0.448 177.016 176.600 -0.053 0.000 1.310 1150 E CA 0.632 56.998 56.400 -0.057 0.000 0.709 1150 E CB -1.906 27.768 29.700 -0.044 0.000 1.127 1150 E HN 0.964 nan 8.360 nan 0.000 0.354 1151 G N -0.844 107.920 108.800 -0.060 0.000 2.706 1151 G HA2 0.450 4.411 3.960 0.002 0.000 0.307 1151 G HA3 0.450 4.411 3.960 0.002 0.000 0.307 1151 G C -0.875 173.984 174.900 -0.069 0.000 1.307 1151 G CA -0.638 44.429 45.100 -0.054 0.000 0.790 1151 G HN 0.033 nan 8.290 nan 0.000 0.503 1152 S N 2.085 117.754 115.700 -0.052 0.000 2.488 1152 S HA 0.424 4.895 4.470 0.002 0.000 0.278 1152 S C -2.213 172.361 174.600 -0.042 0.000 1.259 1152 S CA -0.352 57.816 58.200 -0.054 0.000 1.061 1152 S CB 1.060 64.251 63.200 -0.015 0.000 0.910 1152 S HN 0.343 nan 8.310 nan 0.000 0.491 1153 P HA 0.361 nan 4.420 nan 0.000 0.274 1153 P C -1.114 176.202 177.300 0.026 0.000 1.231 1153 P CA -0.628 62.438 63.100 -0.057 0.000 0.790 1153 P CB 0.465 32.015 31.700 -0.250 0.000 0.951 1154 L N 2.522 123.795 121.223 0.083 0.000 2.349 1154 L HA 0.312 4.653 4.340 0.002 0.000 0.278 1154 L C -0.684 176.246 176.870 0.100 0.000 0.996 1154 L CA -0.431 54.466 54.840 0.095 0.000 0.825 1154 L CB 1.780 43.889 42.059 0.083 0.000 1.243 1154 L HN 0.074 nan 8.230 nan 0.000 0.412 1155 V N 4.954 124.927 119.914 0.097 0.000 2.406 1155 V HA 0.373 4.494 4.120 0.002 0.000 0.272 1155 V C -0.060 176.047 176.094 0.023 0.000 1.043 1155 V CA -0.659 61.676 62.300 0.058 0.000 0.915 1155 V CB 1.585 33.441 31.823 0.055 0.000 0.988 1155 V HN 0.405 nan 8.190 nan 0.000 0.466 1156 V N 7.573 127.487 119.914 -0.001 0.000 2.333 1156 V HA 0.472 4.593 4.120 0.002 0.000 0.274 1156 V C -0.024 176.060 176.094 -0.017 0.000 1.028 1156 V CA -0.262 62.038 62.300 0.001 0.000 0.851 1156 V CB 1.039 32.864 31.823 0.003 0.000 1.000 1156 V HN 0.625 nan 8.190 nan 0.000 0.456 1157 L N 6.280 127.497 121.223 -0.011 0.000 2.303 1157 L HA 0.625 4.967 4.340 0.002 0.000 0.266 1157 L C -2.537 174.332 176.870 -0.000 0.000 1.011 1157 L CA -2.283 52.541 54.840 -0.026 0.000 0.818 1157 L CB 2.449 44.475 42.059 -0.055 0.000 1.326 1157 L HN 0.354 nan 8.230 nan 0.000 0.435 1158 P HA -0.004 nan 4.420 nan 0.000 0.271 1158 P C -1.297 175.997 177.300 -0.010 0.000 1.216 1158 P CA -0.049 63.051 63.100 0.000 0.000 0.771 1158 P CB 0.200 31.888 31.700 -0.019 0.000 0.864 1159 Y N 3.909 124.118 120.300 -0.151 0.000 2.442 1159 Y HA 0.243 4.794 4.550 0.002 0.000 0.330 1159 Y C -0.126 175.650 175.900 -0.207 0.000 1.129 1159 Y CA 0.181 58.125 58.100 -0.259 0.000 1.365 1159 Y CB 0.374 38.464 38.460 -0.617 0.000 1.233 1159 Y HN 0.236 nan 8.280 nan 0.000 0.529 1160 M N 7.833 126.941 119.600 -0.820 0.000 2.060 1160 M HA 0.159 4.640 4.480 0.002 0.000 0.342 1160 M C 1.027 176.763 176.300 -0.939 0.000 1.031 1160 M CA -0.309 54.603 55.300 -0.646 0.000 0.981 1160 M CB 1.226 33.618 32.600 -0.347 0.000 1.376 1160 M HN 0.866 nan 8.290 nan 0.000 0.397 1161 K N 1.906 121.777 120.400 -0.882 0.000 2.113 1161 K HA -0.173 4.148 4.320 0.002 0.000 0.208 1161 K C 0.662 176.895 176.600 -0.613 0.000 1.047 1161 K CA 1.563 57.427 56.287 -0.704 0.000 0.928 1161 K CB 0.255 32.471 32.500 -0.474 0.000 0.716 1161 K HN 0.598 nan 8.250 nan 0.000 0.446 1162 H N -0.277 118.631 119.070 -0.269 0.000 2.507 1162 H HA 0.157 4.714 4.556 0.002 0.000 0.294 1162 H C 1.017 176.293 175.328 -0.086 0.000 1.064 1162 H CA 0.404 56.375 56.048 -0.128 0.000 1.138 1162 H CB 0.144 29.788 29.762 -0.196 0.000 1.515 1162 H HN 0.500 nan 8.280 nan 0.000 0.547 1163 G N 2.155 110.900 108.800 -0.092 0.000 2.574 1163 G HA2 -0.294 3.667 3.960 0.002 0.000 0.282 1163 G HA3 -0.294 3.667 3.960 0.002 0.000 0.282 1163 G C 0.062 174.941 174.900 -0.036 0.000 1.257 1163 G CA 0.170 45.237 45.100 -0.054 0.000 0.956 1163 G HN 0.557 nan 8.290 nan 0.000 0.560 1164 D N 0.291 120.690 120.400 -0.003 0.000 2.304 1164 D HA 0.307 4.949 4.640 0.002 0.000 0.247 1164 D C 1.654 177.961 176.300 0.012 0.000 1.089 1164 D CA -0.288 53.710 54.000 -0.003 0.000 0.910 1164 D CB 1.681 42.487 40.800 0.010 0.000 1.199 1164 D HN 0.464 nan 8.370 nan 0.000 0.426 1165 L N 2.457 123.661 121.223 -0.032 0.000 2.042 1165 L HA -0.171 4.170 4.340 0.002 0.000 0.210 1165 L C 2.649 179.558 176.870 0.065 0.000 1.076 1165 L CA 1.685 56.499 54.840 -0.043 0.000 0.749 1165 L CB -0.813 41.178 42.059 -0.114 0.000 0.893 1165 L HN 0.596 nan 8.230 nan 0.000 0.432 1166 R N -0.678 119.857 120.500 0.058 0.000 2.083 1166 R HA -0.185 4.156 4.340 0.002 0.000 0.237 1166 R C 2.003 178.342 176.300 0.064 0.000 1.137 1166 R CA 1.812 57.960 56.100 0.079 0.000 0.951 1166 R CB -0.245 30.100 30.300 0.076 0.000 0.851 1166 R HN 0.486 nan 8.270 nan 0.000 0.434 1167 N N 0.009 118.736 118.700 0.044 0.000 2.270 1167 N HA -0.159 4.582 4.740 0.002 0.000 0.181 1167 N C 1.470 177.004 175.510 0.040 0.000 1.016 1167 N CA 0.919 53.980 53.050 0.018 0.000 0.870 1167 N CB -0.369 38.110 38.487 -0.013 0.000 0.979 1167 N HN 0.187 nan 8.380 nan 0.000 0.431 1168 F N 2.631 122.559 119.950 -0.036 0.000 2.102 1168 F HA -0.058 4.470 4.527 0.002 0.000 0.298 1168 F C 1.970 177.753 175.800 -0.028 0.000 1.105 1168 F CA 1.049 59.039 58.000 -0.017 0.000 1.239 1168 F CB -0.313 38.676 39.000 -0.018 0.000 0.991 1168 F HN -0.020 nan 8.300 nan 0.000 0.474 1169 I N -1.414 119.200 120.570 0.074 0.000 3.456 1169 I HA 0.022 4.193 4.170 0.002 0.000 0.291 1169 I C 1.274 177.305 176.117 -0.143 0.000 1.307 1169 I CA 0.776 62.092 61.300 0.025 0.000 1.333 1169 I CB -0.477 37.649 38.000 0.210 0.000 1.032 1169 I HN 0.169 nan 8.210 nan 0.000 0.506 1170 R N 1.049 121.410 120.500 -0.232 0.000 2.446 1170 R HA 0.194 4.535 4.340 0.002 0.000 0.254 1170 R C 0.271 176.363 176.300 -0.345 0.000 0.918 1170 R CA -0.119 55.839 56.100 -0.235 0.000 1.069 1170 R CB 0.110 30.360 30.300 -0.084 0.000 1.194 1170 R HN 0.522 nan 8.270 nan 0.000 0.534 1171 N N 0.209 118.651 118.700 -0.431 0.000 2.592 1171 N HA 0.032 4.773 4.740 0.002 0.000 0.292 1171 N C -0.516 174.711 175.510 -0.471 0.000 1.260 1171 N CA -0.543 52.305 53.050 -0.337 0.000 0.910 1171 N CB 0.867 39.246 38.487 -0.181 0.000 1.257 1171 N HN -0.316 nan 8.380 nan 0.000 0.569 1172 E N -0.426 119.641 120.200 -0.222 0.000 2.110 1172 E HA 0.144 4.495 4.350 0.002 0.000 0.300 1172 E C -0.366 176.201 176.600 -0.055 0.000 1.278 1172 E CA 0.106 56.452 56.400 -0.091 0.000 1.365 1172 E CB -0.666 29.029 29.700 -0.009 0.000 1.283 1172 E HN 0.640 nan 8.360 nan 0.000 0.490 1173 T N -1.470 113.011 114.554 -0.122 0.000 3.541 1173 T HA 0.028 4.380 4.350 0.002 0.000 0.309 1173 T C 0.194 174.802 174.700 -0.153 0.000 0.973 1173 T CA -0.370 61.691 62.100 -0.066 0.000 0.993 1173 T CB -0.469 68.383 68.868 -0.026 0.000 1.206 1173 T HN 0.423 nan 8.240 nan 0.000 0.489 1174 H N 1.467 120.420 119.070 -0.194 0.000 3.761 1174 H HA 0.156 4.713 4.556 0.002 0.000 0.261 1174 H C 1.771 177.033 175.328 -0.109 0.000 1.143 1174 H CA -0.417 55.525 56.048 -0.178 0.000 1.239 1174 H CB 0.155 29.847 29.762 -0.116 0.000 1.344 1174 H HN 0.229 nan 8.280 nan 0.000 0.733 1175 N N 1.151 119.864 118.700 0.022 0.000 2.331 1175 N HA -0.036 4.705 4.740 0.002 0.000 0.180 1175 N C -1.817 173.674 175.510 -0.031 0.000 1.019 1175 N CA -0.218 52.820 53.050 -0.020 0.000 0.881 1175 N CB -0.474 37.979 38.487 -0.057 0.000 0.972 1175 N HN 0.447 nan 8.380 nan 0.000 0.435 1176 P HA 0.022 nan 4.420 nan 0.000 0.264 1176 P C -0.198 177.082 177.300 -0.033 0.000 1.193 1176 P CA 0.390 63.497 63.100 0.012 0.000 0.763 1176 P CB 0.613 32.424 31.700 0.185 0.000 0.810 1177 T N -1.212 113.309 114.554 -0.055 0.000 2.910 1177 T HA 0.218 4.569 4.350 0.002 0.000 0.279 1177 T C 1.413 176.111 174.700 -0.003 0.000 0.989 1177 T CA -0.766 61.307 62.100 -0.044 0.000 0.968 1177 T CB 0.390 69.237 68.868 -0.036 0.000 1.135 1177 T HN 0.036 nan 8.240 nan 0.000 0.562 1178 V N 0.976 120.912 119.914 0.037 0.000 2.392 1178 V HA -0.142 3.979 4.120 0.002 0.000 0.249 1178 V C 2.866 178.998 176.094 0.063 0.000 1.059 1178 V CA 2.169 64.509 62.300 0.067 0.000 1.051 1178 V CB -0.872 31.038 31.823 0.144 0.000 0.658 1178 V HN 0.961 nan 8.190 nan 0.000 0.455 1179 K N -0.378 120.130 120.400 0.181 0.000 2.057 1179 K HA -0.212 4.109 4.320 0.002 0.000 0.207 1179 K C 1.869 178.576 176.600 0.178 0.000 1.049 1179 K CA 1.749 58.152 56.287 0.193 0.000 0.931 1179 K CB -0.182 32.444 32.500 0.211 0.000 0.714 1179 K HN 0.460 nan 8.250 nan 0.000 0.440 1180 D N 0.783 121.194 120.400 0.019 0.000 2.097 1180 D HA -0.157 4.484 4.640 0.002 0.000 0.195 1180 D C 1.921 177.982 176.300 -0.399 0.000 0.989 1180 D CA 0.781 54.654 54.000 -0.211 0.000 0.827 1180 D CB -0.133 40.483 40.800 -0.306 0.000 0.966 1180 D HN 0.083 nan 8.370 nan 0.000 0.456 1181 L N 0.971 122.094 121.223 -0.167 0.000 2.013 1181 L HA -0.148 4.194 4.340 0.002 0.000 0.212 1181 L C 2.469 179.360 176.870 0.036 0.000 1.073 1181 L CA 1.171 56.017 54.840 0.010 0.000 0.753 1181 L CB -0.926 41.175 42.059 0.071 0.000 0.890 1181 L HN 0.101 nan 8.230 nan 0.000 0.432 1182 I N -1.111 119.470 120.570 0.019 0.000 2.286 1182 I HA -0.225 3.946 4.170 0.002 0.000 0.248 1182 I C 2.480 178.600 176.117 0.006 0.000 1.115 1182 I CA 1.232 62.562 61.300 0.049 0.000 1.392 1182 I CB -0.858 37.181 38.000 0.065 0.000 1.065 1182 I HN 0.343 nan 8.210 nan 0.000 0.418 1183 G N 0.929 109.678 108.800 -0.084 0.000 2.440 1183 G HA2 -0.252 3.710 3.960 0.002 0.000 0.218 1183 G HA3 -0.252 3.710 3.960 0.002 0.000 0.218 1183 G C 1.445 176.252 174.900 -0.154 0.000 1.154 1183 G CA 0.544 45.370 45.100 -0.456 0.000 0.767 1183 G HN 0.178 nan 8.290 nan 0.000 0.552 1184 F N 1.793 121.720 119.950 -0.039 0.000 2.126 1184 F HA 0.004 4.533 4.527 0.002 0.000 0.299 1184 F C 2.892 178.710 175.800 0.030 0.000 1.096 1184 F CA 0.592 58.593 58.000 0.001 0.000 1.255 1184 F CB -1.071 37.956 39.000 0.044 0.000 0.997 1184 F HN 0.186 nan 8.300 nan 0.000 0.479 1185 G N -0.274 108.673 108.800 0.245 0.000 2.422 1185 G HA2 -0.224 3.737 3.960 0.002 0.000 0.218 1185 G HA3 -0.224 3.737 3.960 0.002 0.000 0.218 1185 G C 1.713 176.792 174.900 0.298 0.000 1.146 1185 G CA 0.818 46.058 45.100 0.234 0.000 0.769 1185 G HN 0.327 nan 8.290 nan 0.000 0.547 1186 L N 0.494 121.792 121.223 0.124 0.000 2.046 1186 L HA -0.027 4.314 4.340 0.002 0.000 0.208 1186 L C 2.833 179.733 176.870 0.051 0.000 1.077 1186 L CA 1.897 56.766 54.840 0.048 0.000 0.747 1186 L CB -0.780 41.184 42.059 -0.159 0.000 0.896 1186 L HN 0.327 nan 8.230 nan 0.000 0.432 1187 Q N -1.198 118.634 119.800 0.054 0.000 2.084 1187 Q HA -0.177 4.164 4.340 0.002 0.000 0.202 1187 Q C 2.176 178.220 176.000 0.073 0.000 0.978 1187 Q CA 1.897 57.738 55.803 0.063 0.000 0.844 1187 Q CB -0.313 28.478 28.738 0.088 0.000 0.898 1187 Q HN 0.467 nan 8.270 nan 0.000 0.426 1188 V N 1.086 121.084 119.914 0.139 0.000 2.343 1188 V HA -0.295 3.826 4.120 0.002 0.000 0.247 1188 V C 2.317 178.422 176.094 0.019 0.000 1.051 1188 V CA 1.840 64.222 62.300 0.137 0.000 1.036 1188 V CB -1.041 30.971 31.823 0.315 0.000 0.654 1188 V HN 0.403 nan 8.190 nan 0.000 0.451 1189 A N -0.220 122.621 122.820 0.035 0.000 1.908 1189 A HA -0.271 4.050 4.320 0.002 0.000 0.218 1189 A C 2.290 179.748 177.584 -0.210 0.000 1.181 1189 A CA 2.152 54.027 52.037 -0.269 0.000 0.627 1189 A CB -0.460 18.400 19.000 -0.233 0.000 0.818 1189 A HN 0.564 nan 8.150 nan 0.000 0.445 1190 K N -0.854 119.487 120.400 -0.099 0.000 2.097 1190 K HA -0.076 4.245 4.320 0.002 0.000 0.206 1190 K C 2.142 178.569 176.600 -0.289 0.000 1.049 1190 K CA 1.029 57.261 56.287 -0.091 0.000 0.933 1190 K CB -0.431 32.114 32.500 0.075 0.000 0.717 1190 K HN 0.472 nan 8.250 nan 0.000 0.442 1191 G N 1.152 109.801 108.800 -0.251 0.000 2.421 1191 G HA2 -0.233 3.728 3.960 0.002 0.000 0.216 1191 G HA3 -0.233 3.728 3.960 0.002 0.000 0.216 1191 G C 1.443 176.064 174.900 -0.465 0.000 1.171 1191 G CA 0.619 45.497 45.100 -0.370 0.000 0.775 1191 G HN 0.057 nan 8.290 nan 0.000 0.543 1192 M N 0.616 119.887 119.600 -0.548 0.000 2.175 1192 M HA 0.044 4.525 4.480 0.002 0.000 0.264 1192 M C 2.275 178.106 176.300 -0.782 0.000 1.063 1192 M CA 1.094 55.858 55.300 -0.893 0.000 1.119 1192 M CB -0.867 30.722 32.600 -1.685 0.000 1.377 1192 M HN 0.344 nan 8.290 nan 0.000 0.415 1193 K N -0.562 119.539 120.400 -0.499 0.000 2.057 1193 K HA -0.236 4.085 4.320 0.002 0.000 0.207 1193 K C 2.155 178.612 176.600 -0.238 0.000 1.049 1193 K CA 1.472 57.630 56.287 -0.216 0.000 0.931 1193 K CB -0.349 32.086 32.500 -0.109 0.000 0.714 1193 K HN 0.240 nan 8.250 nan 0.000 0.440 1194 Y N 1.013 121.026 120.300 -0.477 0.000 2.145 1194 Y HA -0.237 4.314 4.550 0.002 0.000 0.286 1194 Y C 1.824 177.437 175.900 -0.478 0.000 1.145 1194 Y CA 1.292 59.096 58.100 -0.494 0.000 1.148 1194 Y CB -0.280 37.709 38.460 -0.784 0.000 0.981 1194 Y HN 0.024 nan 8.280 nan 0.000 0.507 1195 L N 0.489 121.410 121.223 -0.502 0.000 2.012 1195 L HA -0.215 4.126 4.340 0.002 0.000 0.210 1195 L C 2.726 179.417 176.870 -0.298 0.000 1.073 1195 L CA 2.097 56.611 54.840 -0.543 0.000 0.748 1195 L CB -1.889 39.905 42.059 -0.442 0.000 0.891 1195 L HN 0.395 nan 8.230 nan 0.000 0.431 1196 A N -0.896 121.794 122.820 -0.217 0.000 1.940 1196 A HA -0.218 4.103 4.320 0.002 0.000 0.219 1196 A C 2.446 179.980 177.584 -0.084 0.000 1.176 1196 A CA 2.022 54.026 52.037 -0.055 0.000 0.631 1196 A CB -0.857 18.183 19.000 0.066 0.000 0.814 1196 A HN 0.577 nan 8.150 nan 0.000 0.446 1197 S N -0.824 114.766 115.700 -0.183 0.000 2.474 1197 S HA -0.042 4.429 4.470 0.002 0.000 0.235 1197 S C 1.217 175.703 174.600 -0.189 0.000 0.997 1197 S CA 1.084 59.181 58.200 -0.172 0.000 0.949 1197 S CB -0.083 62.991 63.200 -0.210 0.000 0.766 1197 S HN 0.431 nan 8.310 nan 0.000 0.517 1198 K N 1.158 121.410 120.400 -0.247 0.000 2.397 1198 K HA 0.278 4.599 4.320 0.002 0.000 0.202 1198 K C -0.015 176.618 176.600 0.054 0.000 1.022 1198 K CA -0.101 56.114 56.287 -0.120 0.000 1.141 1198 K CB -0.095 32.281 32.500 -0.208 0.000 0.857 1198 K HN 0.443 nan 8.250 nan 0.000 0.514 1199 K N 0.576 120.996 120.400 0.033 0.000 3.071 1199 K HA -0.206 4.115 4.320 0.002 0.000 0.265 1199 K C -0.643 176.044 176.600 0.144 0.000 1.060 1199 K CA 0.336 56.670 56.287 0.078 0.000 0.767 1199 K CB -1.650 30.889 32.500 0.064 0.000 1.241 1199 K HN 0.124 nan 8.250 nan 0.000 0.486 1200 F N 0.924 120.876 119.950 0.004 0.000 2.361 1200 F HA 0.306 4.834 4.527 0.002 0.000 0.364 1200 F C 0.139 175.958 175.800 0.032 0.000 1.117 1200 F CA -0.878 57.151 58.000 0.049 0.000 1.071 1200 F CB 0.983 40.030 39.000 0.078 0.000 1.188 1200 F HN -0.194 nan 8.300 nan 0.000 0.464 1201 V N 7.047 126.867 119.914 -0.158 0.000 2.432 1201 V HA 0.052 4.174 4.120 0.002 0.000 0.275 1201 V C 1.194 177.255 176.094 -0.054 0.000 1.043 1201 V CA -0.261 62.037 62.300 -0.003 0.000 0.925 1201 V CB 0.950 32.782 31.823 0.015 0.000 0.985 1201 V HN 0.829 nan 8.190 nan 0.000 0.466 1202 H N 5.282 124.422 119.070 0.117 0.000 2.317 1202 H HA 0.019 4.576 4.556 0.002 0.000 0.304 1202 H C 1.624 176.971 175.328 0.031 0.000 1.067 1202 H CA 1.955 58.106 56.048 0.173 0.000 1.352 1202 H CB 0.387 30.254 29.762 0.175 0.000 1.398 1202 H HN 0.737 nan 8.280 nan 0.000 0.510 1203 R N -0.998 119.631 120.500 0.216 0.000 3.746 1203 R HA -0.172 4.169 4.340 0.002 0.000 0.465 1203 R C -0.317 176.003 176.300 0.033 0.000 0.725 1203 R CA 1.395 57.453 56.100 -0.071 0.000 1.545 1203 R CB -1.430 28.551 30.300 -0.532 0.000 2.197 1203 R HN 0.318 nan 8.270 nan 0.000 0.438 1204 D N 0.432 121.064 120.400 0.386 0.000 2.952 1204 D HA 0.173 4.814 4.640 0.002 0.000 0.373 1204 D C -1.032 175.368 176.300 0.168 0.000 1.360 1204 D CA -0.406 53.739 54.000 0.241 0.000 0.788 1204 D CB 0.305 41.176 40.800 0.119 0.000 1.192 1204 D HN 0.028 nan 8.370 nan 0.000 0.462 1205 L N 1.515 122.756 121.223 0.029 0.000 2.410 1205 L HA 0.624 4.965 4.340 0.002 0.000 0.273 1205 L C -0.444 176.435 176.870 0.016 0.000 1.152 1205 L CA 0.354 55.091 54.840 -0.172 0.000 0.855 1205 L CB 0.665 42.694 42.059 -0.049 0.000 1.129 1205 L HN 0.214 nan 8.230 nan 0.000 0.463 1206 A N 3.708 126.502 122.820 -0.044 0.000 2.597 1206 A HA 0.659 4.980 4.320 0.002 0.000 0.292 1206 A C 0.414 178.017 177.584 0.030 0.000 1.057 1206 A CA -0.155 51.852 52.037 -0.050 0.000 0.674 1206 A CB 0.241 18.864 19.000 -0.628 0.000 1.278 1206 A HN 1.076 nan 8.150 nan 0.000 0.416 1207 A N 0.761 123.668 122.820 0.145 0.000 1.940 1207 A HA -0.169 4.152 4.320 0.002 0.000 0.219 1207 A C 1.931 179.541 177.584 0.043 0.000 1.176 1207 A CA 2.160 54.265 52.037 0.112 0.000 0.631 1207 A CB -0.640 18.466 19.000 0.178 0.000 0.814 1207 A HN 1.169 nan 8.150 nan 0.000 0.446 1208 R N -0.821 119.683 120.500 0.007 0.000 2.237 1208 R HA -0.006 4.336 4.340 0.002 0.000 0.219 1208 R C 0.174 176.472 176.300 -0.004 0.000 1.080 1208 R CA 1.438 57.529 56.100 -0.015 0.000 0.995 1208 R CB -0.411 29.851 30.300 -0.063 0.000 0.875 1208 R HN 0.329 nan 8.270 nan 0.000 0.462 1209 N N 0.179 118.873 118.700 -0.010 0.000 2.320 1209 N HA 0.136 4.877 4.740 0.002 0.000 0.237 1209 N C -1.034 174.508 175.510 0.053 0.000 1.129 1209 N CA -0.089 52.982 53.050 0.035 0.000 0.854 1209 N CB 0.583 39.104 38.487 0.057 0.000 1.083 1209 N HN 0.156 nan 8.380 nan 0.000 0.504 1210 C N 0.664 119.977 119.300 0.022 0.000 2.634 1210 C HA 0.605 5.066 4.460 0.002 0.000 0.313 1210 C C -0.053 174.918 174.990 -0.030 0.000 1.198 1210 C CA -0.856 58.166 59.018 0.006 0.000 1.605 1210 C CB 1.679 29.412 27.740 -0.011 0.000 2.196 1210 C HN 0.191 nan 8.230 nan 0.000 0.486 1211 M N 2.019 121.590 119.600 -0.050 0.000 2.761 1211 M HA 0.693 5.174 4.480 0.002 0.000 0.305 1211 M C -1.165 175.043 176.300 -0.154 0.000 1.235 1211 M CA -0.620 54.624 55.300 -0.093 0.000 0.850 1211 M CB 1.387 33.939 32.600 -0.080 0.000 1.744 1211 M HN 0.406 nan 8.290 nan 0.000 0.480 1212 L N 1.420 122.525 121.223 -0.197 0.000 2.385 1212 L HA 0.367 4.708 4.340 0.002 0.000 0.273 1212 L C -0.161 176.586 176.870 -0.206 0.000 0.990 1212 L CA -0.544 54.153 54.840 -0.239 0.000 0.821 1212 L CB 1.783 43.595 42.059 -0.411 0.000 1.279 1212 L HN 0.684 nan 8.230 nan 0.000 0.412 1213 D N 1.357 121.649 120.400 -0.181 0.000 2.469 1213 D HA 0.074 4.715 4.640 0.002 0.000 0.278 1213 D C 0.990 177.174 176.300 -0.194 0.000 1.231 1213 D CA -0.379 53.508 54.000 -0.188 0.000 1.075 1213 D CB 0.365 41.087 40.800 -0.130 0.000 1.121 1213 D HN 0.547 nan 8.370 nan 0.000 0.571 1214 E N 0.387 120.480 120.200 -0.178 0.000 2.153 1214 E HA -0.250 4.101 4.350 0.002 0.000 0.194 1214 E C 0.888 177.321 176.600 -0.280 0.000 0.988 1214 E CA 1.226 57.514 56.400 -0.185 0.000 0.811 1214 E CB -0.612 29.041 29.700 -0.079 0.000 0.746 1214 E HN 0.736 nan 8.360 nan 0.000 0.466 1215 K N 0.032 120.339 120.400 -0.155 0.000 2.469 1215 K HA 0.180 4.502 4.320 0.002 0.000 0.201 1215 K C -0.398 176.276 176.600 0.124 0.000 1.028 1215 K CA -0.139 56.146 56.287 -0.003 0.000 1.170 1215 K CB -0.633 31.900 32.500 0.055 0.000 0.874 1215 K HN -0.088 nan 8.250 nan 0.000 0.507 1216 F N 0.377 120.334 119.950 0.012 0.000 3.074 1216 F HA -0.237 4.292 4.527 0.002 0.000 0.289 1216 F C -0.217 175.585 175.800 0.003 0.000 0.863 1216 F CA 0.539 58.506 58.000 -0.055 0.000 1.121 1216 F CB -2.645 36.352 39.000 -0.006 0.000 1.169 1216 F HN -0.002 nan 8.300 nan 0.000 0.570 1217 T N 1.066 115.655 114.554 0.059 0.000 2.817 1217 T HA 0.543 4.894 4.350 0.002 0.000 0.293 1217 T C 0.448 175.139 174.700 -0.015 0.000 0.964 1217 T CA -0.498 61.629 62.100 0.045 0.000 1.085 1217 T CB 1.514 70.383 68.868 0.003 0.000 0.921 1217 T HN 0.036 nan 8.240 nan 0.000 0.502 1218 V N 4.610 124.527 119.914 0.005 0.000 2.546 1218 V HA 0.401 4.523 4.120 0.002 0.000 0.284 1218 V C 0.139 176.218 176.094 -0.025 0.000 1.050 1218 V CA -0.461 61.808 62.300 -0.053 0.000 0.981 1218 V CB 1.198 32.998 31.823 -0.037 0.000 0.990 1218 V HN 0.732 nan 8.190 nan 0.000 0.474 1219 K N 2.970 123.349 120.400 -0.035 0.000 2.507 1219 K HA 0.534 4.855 4.320 0.002 0.000 0.252 1219 K C -1.084 175.535 176.600 0.031 0.000 0.943 1219 K CA -0.593 55.696 56.287 0.003 0.000 0.808 1219 K CB 2.222 34.724 32.500 0.003 0.000 1.142 1219 K HN 0.445 nan 8.250 nan 0.000 0.426 1220 V N 3.202 123.139 119.914 0.038 0.000 2.529 1220 V HA 0.270 4.391 4.120 0.002 0.000 0.292 1220 V C 0.370 176.613 176.094 0.247 0.000 1.028 1220 V CA 0.378 62.717 62.300 0.064 0.000 1.074 1220 V CB 0.509 32.298 31.823 -0.055 0.000 0.958 1220 V HN 0.969 nan 8.190 nan 0.000 0.481 1221 A N 3.645 126.641 122.820 0.294 0.000 3.042 1221 A HA 0.697 5.018 4.320 0.002 0.000 0.229 1221 A C 0.431 178.292 177.584 0.461 0.000 1.185 1221 A CA 0.081 52.331 52.037 0.355 0.000 0.844 1221 A CB 0.223 19.296 19.000 0.122 0.000 1.403 1221 A HN 0.851 nan 8.150 nan 0.000 0.555 1222 D N -2.110 118.402 120.400 0.186 0.000 2.699 1222 D HA -0.148 4.494 4.640 0.002 0.000 0.239 1222 D C -0.440 175.934 176.300 0.124 0.000 1.136 1222 D CA 1.736 55.814 54.000 0.131 0.000 0.668 1222 D CB -1.643 39.272 40.800 0.193 0.000 1.060 1222 D HN 1.177 nan 8.370 nan 0.000 0.429 1223 F N -2.789 117.141 119.950 -0.034 0.000 2.662 1223 F HA 0.703 5.231 4.527 0.002 0.000 0.312 1223 F C 1.156 176.989 175.800 0.056 0.000 1.113 1223 F CA 0.042 58.011 58.000 -0.051 0.000 0.951 1223 F CB 0.977 39.950 39.000 -0.045 0.000 1.344 1223 F HN 0.186 nan 8.300 nan 0.000 0.462 1224 G N 1.401 110.296 108.800 0.157 0.000 2.611 1224 G HA2 -0.309 3.652 3.960 0.002 0.000 0.301 1224 G HA3 -0.309 3.652 3.960 0.002 0.000 0.301 1224 G C 0.427 175.272 174.900 -0.091 0.000 1.233 1224 G CA 0.373 45.474 45.100 0.001 0.000 0.993 1224 G HN 1.074 nan 8.290 nan 0.000 0.553 1225 L N 1.325 122.436 121.223 -0.187 0.000 2.610 1225 L HA 0.319 4.660 4.340 0.002 0.000 0.232 1225 L C 2.824 179.622 176.870 -0.121 0.000 1.149 1225 L CA 1.095 55.882 54.840 -0.088 0.000 0.872 1225 L CB -0.427 41.539 42.059 -0.154 0.000 0.992 1225 L HN 0.679 nan 8.230 nan 0.000 0.447 1226 A N -0.095 122.568 122.820 -0.262 0.000 2.348 1226 A HA 0.056 4.377 4.320 0.002 0.000 0.224 1226 A C 1.145 178.622 177.584 -0.179 0.000 1.227 1226 A CA -0.279 51.611 52.037 -0.243 0.000 0.885 1226 A CB -0.100 18.705 19.000 -0.324 0.000 0.933 1226 A HN 0.270 nan 8.150 nan 0.000 0.506 1227 R N 1.085 121.510 120.500 -0.125 0.000 2.543 1227 R HA 0.154 4.495 4.340 0.002 0.000 0.277 1227 R C -0.960 175.303 176.300 -0.061 0.000 1.074 1227 R CA -0.038 56.020 56.100 -0.070 0.000 1.076 1227 R CB 0.077 30.350 30.300 -0.045 0.000 0.993 1227 R HN 0.269 nan 8.270 nan 0.000 0.459 1228 D N 4.231 124.596 120.400 -0.059 0.000 2.904 1228 D HA -0.214 4.427 4.640 0.002 0.000 0.231 1228 D C 0.722 176.979 176.300 -0.072 0.000 1.185 1228 D CA 0.910 54.886 54.000 -0.040 0.000 0.783 1228 D CB -0.381 40.404 40.800 -0.026 0.000 0.961 1228 D HN 0.686 nan 8.370 nan 0.000 0.409 1229 M N -0.727 118.750 119.600 -0.204 0.000 2.476 1229 M HA -0.158 4.323 4.480 0.002 0.000 0.262 1229 M C 1.693 177.880 176.300 -0.187 0.000 1.079 1229 M CA 0.780 55.853 55.300 -0.378 0.000 1.104 1229 M CB -0.050 32.019 32.600 -0.885 0.000 1.409 1229 M HN 0.301 nan 8.290 nan 0.000 0.467 1230 Y N 0.865 121.149 120.300 -0.026 0.000 2.471 1230 Y HA 0.131 4.682 4.550 0.001 0.000 0.286 1230 Y C 0.027 175.996 175.900 0.115 0.000 1.188 1230 Y CA -0.318 57.918 58.100 0.226 0.000 1.286 1230 Y CB -0.223 38.461 38.460 0.373 0.000 1.072 1230 Y HN -0.027 nan 8.280 nan 0.000 0.517 1231 D N 0.765 121.117 120.400 -0.080 0.000 2.303 1231 D HA 0.129 4.770 4.640 0.002 0.000 0.236 1231 D C 0.711 176.974 176.300 -0.062 0.000 1.068 1231 D CA -0.154 53.779 54.000 -0.112 0.000 0.830 1231 D CB 1.404 42.215 40.800 0.018 0.000 1.109 1231 D HN 0.061 nan 8.370 nan 0.000 0.496 1232 K N 2.111 122.456 120.400 -0.091 0.000 2.217 1232 K HA -0.110 4.211 4.320 0.002 0.000 0.202 1232 K C 0.280 176.853 176.600 -0.045 0.000 1.051 1232 K CA 0.519 56.778 56.287 -0.047 0.000 0.952 1232 K CB 0.288 32.758 32.500 -0.048 0.000 0.736 1232 K HN 0.410 nan 8.250 nan 0.000 0.453 1233 E N 0.167 120.335 120.200 -0.054 0.000 2.259 1233 E HA -0.014 4.337 4.350 0.002 0.000 0.281 1233 E C -1.268 175.217 176.600 -0.193 0.000 1.027 1233 E CA -0.467 55.827 56.400 -0.177 0.000 0.838 1233 E CB 0.431 29.950 29.700 -0.301 0.000 1.066 1233 E HN 0.012 nan 8.360 nan 0.000 0.401 1234 Y N 4.793 124.895 120.300 -0.330 0.000 2.319 1234 Y HA 0.365 4.916 4.550 0.002 0.000 0.328 1234 Y C -1.502 174.201 175.900 -0.327 0.000 1.133 1234 Y CA -0.243 57.733 58.100 -0.206 0.000 1.265 1234 Y CB 0.469 38.801 38.460 -0.213 0.000 1.218 1234 Y HN 0.509 nan 8.280 nan 0.000 0.508 1235 Y N 3.404 123.116 120.300 -0.979 0.000 2.421 1235 Y HA 0.315 4.866 4.550 0.002 0.000 0.339 1235 Y C 0.168 175.503 175.900 -0.942 0.000 0.996 1235 Y CA -0.977 56.682 58.100 -0.734 0.000 1.046 1235 Y CB 1.876 40.124 38.460 -0.353 0.000 1.226 1235 Y HN 0.669 nan 8.280 nan 0.000 0.445 1236 S N 0.890 116.342 115.700 -0.412 0.000 2.573 1236 S HA 0.093 4.564 4.470 0.002 0.000 0.277 1236 S C 1.211 175.719 174.600 -0.153 0.000 1.346 1236 S CA -0.367 57.732 58.200 -0.168 0.000 1.034 1236 S CB 0.690 63.916 63.200 0.043 0.000 0.879 1236 S HN 0.582 nan 8.310 nan 0.000 0.528 1237 V N 3.571 123.381 119.914 -0.174 0.000 2.250 1237 V HA -0.161 3.960 4.120 0.002 0.000 0.250 1237 V C 1.586 177.447 176.094 -0.388 0.000 1.060 1237 V CA 1.963 64.061 62.300 -0.337 0.000 1.030 1237 V CB -0.868 30.653 31.823 -0.502 0.000 0.643 1237 V HN 0.865 nan 8.190 nan 0.000 0.445 1238 H N -0.959 118.090 119.070 -0.034 0.000 2.537 1238 H HA 0.234 4.791 4.556 0.002 0.000 0.295 1238 H C 0.476 175.801 175.328 -0.006 0.000 1.054 1238 H CA 0.113 56.150 56.048 -0.019 0.000 1.156 1238 H CB -0.111 29.649 29.762 -0.003 0.000 1.468 1238 H HN 0.348 nan 8.280 nan 0.000 0.551 1239 N N 1.026 119.756 118.700 0.050 0.000 2.610 1239 N HA 0.030 4.771 4.740 0.002 0.000 0.307 1239 N C -0.319 175.230 175.510 0.066 0.000 1.813 1239 N CA -0.062 53.029 53.050 0.067 0.000 0.901 1239 N CB 0.350 38.884 38.487 0.080 0.000 1.354 1239 N HN 0.087 nan 8.380 nan 0.000 0.491 1240 K N 0.334 120.714 120.400 -0.033 0.000 3.253 1240 K HA 0.153 4.474 4.320 0.002 0.000 0.174 1240 K C -0.571 175.942 176.600 -0.144 0.000 1.071 1240 K CA -0.280 55.895 56.287 -0.186 0.000 0.836 1240 K CB 0.230 32.495 32.500 -0.391 0.000 0.922 1240 K HN 0.039 nan 8.250 nan 0.000 0.565 1241 T N -0.400 114.122 114.554 -0.054 0.000 2.908 1241 T HA 0.186 4.537 4.350 0.002 0.000 0.301 1241 T C 1.141 175.811 174.700 -0.050 0.000 1.019 1241 T CA 2.231 64.314 62.100 -0.028 0.000 1.152 1241 T CB 0.310 69.181 68.868 0.005 0.000 0.966 1241 T HN 0.812 nan 8.240 nan 0.000 0.540 1242 G N 2.805 111.583 108.800 -0.035 0.000 2.175 1242 G HA2 -0.071 3.890 3.960 0.002 0.000 0.244 1242 G HA3 -0.071 3.890 3.960 0.002 0.000 0.244 1242 G C 0.344 175.209 174.900 -0.058 0.000 0.982 1242 G CA 0.066 45.146 45.100 -0.033 0.000 0.641 1242 G HN 1.333 nan 8.290 nan 0.000 0.527 1243 A N 0.114 122.877 122.820 -0.096 0.000 2.483 1243 A HA 0.538 4.859 4.320 0.002 0.000 0.238 1243 A C 0.732 178.281 177.584 -0.058 0.000 1.070 1243 A CA 1.058 53.023 52.037 -0.119 0.000 0.770 1243 A CB 0.258 19.154 19.000 -0.173 0.000 1.008 1243 A HN 0.872 nan 8.150 nan 0.000 0.497 1244 K N 1.886 122.257 120.400 -0.049 0.000 2.368 1244 K HA 0.388 4.710 4.320 0.002 0.000 0.282 1244 K C -0.877 175.717 176.600 -0.011 0.000 1.035 1244 K CA 0.020 56.296 56.287 -0.018 0.000 0.973 1244 K CB 0.090 32.586 32.500 -0.006 0.000 0.957 1244 K HN 0.603 nan 8.250 nan 0.000 0.474 1245 L N 6.433 127.665 121.223 0.014 0.000 2.334 1245 L HA 0.394 4.736 4.340 0.002 0.000 0.275 1245 L C -1.694 175.220 176.870 0.073 0.000 1.036 1245 L CA -2.241 52.631 54.840 0.054 0.000 0.807 1245 L CB 1.584 43.709 42.059 0.109 0.000 1.231 1245 L HN 0.685 nan 8.230 nan 0.000 0.438 1246 P HA 0.054 nan 4.420 nan 0.000 0.237 1246 P C 0.984 178.459 177.300 0.291 0.000 1.788 1246 P CA -0.143 63.065 63.100 0.181 0.000 1.061 1246 P CB 0.500 32.263 31.700 0.105 0.000 1.967 1247 V N 2.810 122.827 119.914 0.171 0.000 2.278 1247 V HA -0.276 3.845 4.120 0.002 0.000 0.251 1247 V C 2.196 178.342 176.094 0.087 0.000 1.062 1247 V CA 1.998 64.341 62.300 0.072 0.000 1.038 1247 V CB -0.850 30.934 31.823 -0.066 0.000 0.646 1247 V HN 0.430 nan 8.190 nan 0.000 0.447 1248 K N -1.650 118.859 120.400 0.182 0.000 2.525 1248 K HA -0.074 4.248 4.320 0.002 0.000 0.192 1248 K C 1.379 178.003 176.600 0.039 0.000 1.029 1248 K CA 0.599 56.900 56.287 0.023 0.000 1.029 1248 K CB -0.049 32.413 32.500 -0.064 0.000 0.814 1248 K HN 0.598 nan 8.250 nan 0.000 0.503 1249 W N 0.204 121.611 121.300 0.178 0.000 2.871 1249 W HA 0.268 4.929 4.660 0.002 0.000 0.340 1249 W C 0.116 176.807 176.519 0.287 0.000 1.058 1249 W CA -0.483 57.030 57.345 0.280 0.000 1.633 1249 W CB 0.392 29.996 29.460 0.241 0.000 1.067 1249 W HN -0.015 nan 8.180 nan 0.000 0.554 1250 M N 0.675 120.443 119.600 0.280 0.000 2.250 1250 M HA 0.370 4.851 4.480 0.002 0.000 0.344 1250 M C 0.706 176.641 176.300 -0.609 0.000 1.150 1250 M CA -0.093 55.214 55.300 0.012 0.000 1.147 1250 M CB 1.087 33.685 32.600 -0.003 0.000 1.498 1250 M HN -0.244 nan 8.290 nan 0.000 0.461 1251 A N 1.860 124.214 122.820 -0.777 0.000 2.366 1251 A HA 0.183 4.504 4.320 0.002 0.000 0.249 1251 A C 0.848 177.774 177.584 -1.098 0.000 1.084 1251 A CA -0.524 50.640 52.037 -1.455 0.000 0.794 1251 A CB 0.213 18.911 19.000 -0.503 0.000 1.034 1251 A HN 0.966 nan 8.150 nan 0.000 0.491 1252 L N 0.716 121.205 121.223 -1.224 0.000 2.043 1252 L HA -0.196 4.145 4.340 0.002 0.000 0.212 1252 L C 2.611 179.262 176.870 -0.365 0.000 1.075 1252 L CA 2.825 57.303 54.840 -0.602 0.000 0.752 1252 L CB -0.624 41.222 42.059 -0.354 0.000 0.891 1252 L HN 0.901 nan 8.230 nan 0.000 0.432 1253 E N -1.531 118.486 120.200 -0.306 0.000 2.204 1253 E HA -0.144 4.208 4.350 0.002 0.000 0.194 1253 E C 1.906 178.343 176.600 -0.271 0.000 0.989 1253 E CA 1.416 57.687 56.400 -0.216 0.000 0.824 1253 E CB -0.580 29.036 29.700 -0.140 0.000 0.756 1253 E HN 0.524 nan 8.360 nan 0.000 0.477 1254 S N 1.193 116.661 115.700 -0.386 0.000 2.387 1254 S HA 0.057 4.528 4.470 0.002 0.000 0.226 1254 S C 2.106 176.470 174.600 -0.393 0.000 1.026 1254 S CA 0.664 58.543 58.200 -0.535 0.000 0.972 1254 S CB -0.252 62.450 63.200 -0.831 0.000 0.814 1254 S HN 0.205 nan 8.310 nan 0.000 0.477 1255 L N 0.979 122.007 121.223 -0.324 0.000 2.261 1255 L HA -0.137 4.204 4.340 0.002 0.000 0.216 1255 L C 2.388 179.162 176.870 -0.161 0.000 1.114 1255 L CA 1.151 55.859 54.840 -0.220 0.000 0.777 1255 L CB -0.316 41.607 42.059 -0.226 0.000 0.910 1255 L HN 0.355 nan 8.230 nan 0.000 0.440 1256 Q N -1.679 118.020 119.800 -0.168 0.000 2.392 1256 Q HA -0.019 4.322 4.340 0.002 0.000 0.219 1256 Q C 1.783 177.724 176.000 -0.099 0.000 0.895 1256 Q CA 1.215 56.950 55.803 -0.113 0.000 0.929 1256 Q CB 0.634 29.311 28.738 -0.101 0.000 1.077 1256 Q HN 0.543 nan 8.270 nan 0.000 0.532 1257 T N -4.264 110.210 114.554 -0.132 0.000 2.986 1257 T HA 0.098 4.449 4.350 0.002 0.000 0.264 1257 T C 0.390 175.026 174.700 -0.106 0.000 0.964 1257 T CA -0.216 61.822 62.100 -0.102 0.000 0.895 1257 T CB 0.406 69.215 68.868 -0.100 0.000 1.163 1257 T HN 0.127 nan 8.240 nan 0.000 0.517 1258 Q N 0.500 120.189 119.800 -0.184 0.000 2.494 1258 Q HA -0.151 4.190 4.340 0.002 0.000 0.272 1258 Q C -0.812 175.113 176.000 -0.125 0.000 1.145 1258 Q CA 0.746 56.452 55.803 -0.162 0.000 0.943 1258 Q CB -1.599 27.154 28.738 0.025 0.000 1.338 1258 Q HN 0.618 nan 8.270 nan 0.000 0.492 1259 K N 0.236 120.478 120.400 -0.262 0.000 2.221 1259 K HA 0.650 4.971 4.320 0.002 0.000 0.258 1259 K C -0.693 175.740 176.600 -0.278 0.000 0.944 1259 K CA -0.394 55.843 56.287 -0.082 0.000 0.823 1259 K CB 0.949 33.423 32.500 -0.042 0.000 1.113 1259 K HN -0.096 nan 8.250 nan 0.000 0.431 1260 F N 0.486 120.462 119.950 0.044 0.000 2.532 1260 F HA 0.445 4.973 4.527 0.002 0.000 0.321 1260 F C 0.721 176.561 175.800 0.065 0.000 1.089 1260 F CA -0.603 57.431 58.000 0.057 0.000 0.926 1260 F CB 2.147 41.189 39.000 0.069 0.000 1.168 1260 F HN 0.540 nan 8.300 nan 0.000 0.459 1261 T N -3.115 111.582 114.554 0.239 0.000 2.804 1261 T HA 0.294 4.645 4.350 0.002 0.000 0.290 1261 T C 0.565 175.394 174.700 0.215 0.000 1.099 1261 T CA -0.539 61.668 62.100 0.178 0.000 1.011 1261 T CB 1.332 70.267 68.868 0.112 0.000 1.291 1261 T HN 0.396 nan 8.240 nan 0.000 0.523 1262 T N 0.721 115.389 114.554 0.190 0.000 2.881 1262 T HA -0.024 4.327 4.350 0.002 0.000 0.270 1262 T C 1.764 176.599 174.700 0.224 0.000 1.068 1262 T CA 0.881 63.134 62.100 0.255 0.000 1.131 1262 T CB -0.264 68.737 68.868 0.221 0.000 0.871 1262 T HN 0.427 nan 8.240 nan 0.000 0.479 1263 K N 1.581 122.067 120.400 0.143 0.000 2.097 1263 K HA 0.016 4.337 4.320 0.002 0.000 0.205 1263 K C 2.713 179.427 176.600 0.190 0.000 1.050 1263 K CA 1.298 57.648 56.287 0.106 0.000 0.938 1263 K CB -0.671 31.877 32.500 0.079 0.000 0.718 1263 K HN 0.534 nan 8.250 nan 0.000 0.442 1264 S N 1.019 116.847 115.700 0.212 0.000 2.428 1264 S HA -0.092 4.379 4.470 0.002 0.000 0.230 1264 S C 1.469 176.304 174.600 0.392 0.000 1.014 1264 S CA 0.934 59.288 58.200 0.257 0.000 0.957 1264 S CB -0.092 63.197 63.200 0.149 0.000 0.784 1264 S HN 0.113 nan 8.310 nan 0.000 0.499 1265 D N 1.516 122.157 120.400 0.402 0.000 2.178 1265 D HA 0.010 4.651 4.640 0.002 0.000 0.202 1265 D C 2.011 178.646 176.300 0.558 0.000 0.974 1265 D CA 0.664 54.966 54.000 0.503 0.000 0.841 1265 D CB -0.274 40.853 40.800 0.544 0.000 0.953 1265 D HN 0.322 nan 8.370 nan 0.000 0.478 1266 V N 0.800 120.894 119.914 0.299 0.000 2.358 1266 V HA -0.187 3.935 4.120 0.002 0.000 0.246 1266 V C 2.189 178.479 176.094 0.328 0.000 1.047 1266 V CA 1.159 63.478 62.300 0.033 0.000 1.035 1266 V CB -0.412 31.276 31.823 -0.226 0.000 0.658 1266 V HN 0.388 nan 8.190 nan 0.000 0.452 1267 W N 1.233 122.677 121.300 0.241 0.000 2.335 1267 W HA -0.206 4.455 4.660 0.002 0.000 0.311 1267 W C 2.496 179.294 176.519 0.466 0.000 1.213 1267 W CA 2.162 59.732 57.345 0.374 0.000 1.274 1267 W CB -0.633 29.019 29.460 0.320 0.000 1.148 1267 W HN 0.332 nan 8.180 nan 0.000 0.498 1268 S N 0.772 116.948 115.700 0.794 0.000 2.368 1268 S HA -0.234 4.237 4.470 0.002 0.000 0.225 1268 S C 1.575 176.534 174.600 0.599 0.000 1.030 1268 S CA 1.573 60.203 58.200 0.718 0.000 0.999 1268 S CB -1.125 62.441 63.200 0.610 0.000 0.844 1268 S HN 0.322 nan 8.310 nan 0.000 0.459 1269 F N 2.785 122.984 119.950 0.414 0.000 2.126 1269 F HA -0.078 4.450 4.527 0.002 0.000 0.299 1269 F C 2.274 178.225 175.800 0.252 0.000 1.096 1269 F CA 1.278 59.478 58.000 0.334 0.000 1.255 1269 F CB -1.074 38.151 39.000 0.375 0.000 0.997 1269 F HN 0.209 nan 8.300 nan 0.000 0.479 1270 G N 0.037 108.924 108.800 0.145 0.000 2.476 1270 G HA2 -0.250 3.711 3.960 0.002 0.000 0.218 1270 G HA3 -0.250 3.711 3.960 0.002 0.000 0.218 1270 G C 1.726 176.761 174.900 0.225 0.000 1.164 1270 G CA 1.429 46.456 45.100 -0.123 0.000 0.768 1270 G HN 0.364 nan 8.290 nan 0.000 0.560 1271 V N 1.208 121.414 119.914 0.488 0.000 2.427 1271 V HA -0.090 4.031 4.120 0.002 0.000 0.248 1271 V C 2.645 178.939 176.094 0.332 0.000 1.051 1271 V CA 1.271 63.784 62.300 0.355 0.000 1.048 1271 V CB -0.477 31.372 31.823 0.043 0.000 0.666 1271 V HN 0.345 nan 8.190 nan 0.000 0.456 1272 L N 0.017 121.421 121.223 0.302 0.000 2.042 1272 L HA -0.157 4.184 4.340 0.002 0.000 0.210 1272 L C 2.225 179.137 176.870 0.069 0.000 1.076 1272 L CA 1.991 56.972 54.840 0.236 0.000 0.749 1272 L CB -1.073 41.070 42.059 0.139 0.000 0.893 1272 L HN 0.248 nan 8.230 nan 0.000 0.432 1273 L N -1.849 119.288 121.223 -0.143 0.000 2.046 1273 L HA -0.273 4.069 4.340 0.002 0.000 0.208 1273 L C 2.485 179.389 176.870 0.056 0.000 1.077 1273 L CA 1.796 56.536 54.840 -0.167 0.000 0.747 1273 L CB -0.538 41.320 42.059 -0.334 0.000 0.896 1273 L HN 0.464 nan 8.230 nan 0.000 0.432 1274 W N 1.220 122.526 121.300 0.010 0.000 2.358 1274 W HA -0.218 4.443 4.660 0.002 0.000 0.303 1274 W C 2.414 178.958 176.519 0.042 0.000 1.208 1274 W CA 1.758 59.143 57.345 0.066 0.000 1.274 1274 W CB -0.030 29.511 29.460 0.135 0.000 1.138 1274 W HN 0.103 nan 8.180 nan 0.000 0.515 1275 E N -0.184 120.207 120.200 0.318 0.000 2.058 1275 E HA -0.285 4.066 4.350 0.002 0.000 0.194 1275 E C 2.051 178.667 176.600 0.027 0.000 0.997 1275 E CA 1.679 58.195 56.400 0.194 0.000 0.801 1275 E CB -0.637 29.260 29.700 0.327 0.000 0.746 1275 E HN 0.161 nan 8.360 nan 0.000 0.450 1276 L N 0.524 121.785 121.223 0.063 0.000 1.971 1276 L HA -0.231 4.111 4.340 0.002 0.000 0.215 1276 L C 2.300 179.168 176.870 -0.002 0.000 1.072 1276 L CA 1.714 56.598 54.840 0.073 0.000 0.758 1276 L CB -0.681 41.437 42.059 0.099 0.000 0.889 1276 L HN 0.263 nan 8.230 nan 0.000 0.433 1277 M N -0.986 118.560 119.600 -0.090 0.000 2.446 1277 M HA -0.064 4.417 4.480 0.002 0.000 0.263 1277 M C 1.747 177.906 176.300 -0.234 0.000 1.066 1277 M CA 1.515 56.730 55.300 -0.141 0.000 1.087 1277 M CB -1.894 30.607 32.600 -0.165 0.000 1.406 1277 M HN 0.518 nan 8.290 nan 0.000 0.459 1278 T N -3.528 110.805 114.554 -0.369 0.000 3.105 1278 T HA 0.303 4.654 4.350 0.002 0.000 0.253 1278 T C 0.682 175.276 174.700 -0.177 0.000 1.047 1278 T CA -0.389 61.464 62.100 -0.411 0.000 0.944 1278 T CB -0.022 68.335 68.868 -0.853 0.000 1.016 1278 T HN 0.416 nan 8.240 nan 0.000 0.544 1279 R N 0.734 121.196 120.500 -0.063 0.000 3.422 1279 R HA -0.139 4.202 4.340 0.002 0.000 0.267 1279 R C 0.978 177.307 176.300 0.049 0.000 1.074 1279 R CA 0.448 56.582 56.100 0.057 0.000 0.718 1279 R CB -2.244 28.134 30.300 0.130 0.000 1.157 1279 R HN 0.949 nan 8.270 nan 0.000 0.440 1280 G N -1.923 106.900 108.800 0.038 0.000 2.140 1280 G HA2 -0.171 3.791 3.960 0.002 0.000 0.211 1280 G HA3 -0.171 3.791 3.960 0.002 0.000 0.211 1280 G C 0.156 175.113 174.900 0.093 0.000 1.013 1280 G CA 0.025 45.176 45.100 0.084 0.000 0.705 1280 G HN 0.813 nan 8.290 nan 0.000 0.508 1281 A N 0.085 122.930 122.820 0.040 0.000 2.371 1281 A HA 0.757 5.078 4.320 0.002 0.000 0.257 1281 A C -1.706 176.065 177.584 0.311 0.000 1.089 1281 A CA -1.084 51.016 52.037 0.106 0.000 0.794 1281 A CB 0.458 19.441 19.000 -0.029 0.000 1.029 1281 A HN 0.165 nan 8.150 nan 0.000 0.488 1282 P HA 0.250 nan 4.420 nan 0.000 0.276 1282 P C -2.508 174.866 177.300 0.123 0.000 1.235 1282 P CA -0.887 62.346 63.100 0.221 0.000 0.772 1282 P CB 0.435 32.227 31.700 0.152 0.000 0.871 1283 P HA 0.086 nan 4.420 nan 0.000 0.279 1283 P C -0.683 176.328 177.300 -0.482 0.000 1.239 1283 P CA -0.232 62.414 63.100 -0.756 0.000 0.789 1283 P CB 0.241 31.304 31.700 -1.062 0.000 0.933 1284 Y N 0.627 120.628 120.300 -0.498 0.000 3.037 1284 Y HA -0.168 4.383 4.550 0.002 0.000 0.204 1284 Y C -1.366 174.387 175.900 -0.244 0.000 1.275 1284 Y CA -0.196 57.662 58.100 -0.403 0.000 1.066 1284 Y CB -2.889 35.275 38.460 -0.493 0.000 1.305 1284 Y HN 0.432 nan 8.280 nan 0.000 0.499 1285 P HA -0.136 nan 4.420 nan 0.000 0.222 1285 P C 1.436 178.726 177.300 -0.016 0.000 1.147 1285 P CA 1.637 64.736 63.100 -0.001 0.000 0.790 1285 P CB 0.323 32.037 31.700 0.024 0.000 0.780 1286 D N -0.284 120.092 120.400 -0.041 0.000 2.108 1286 D HA -0.112 4.529 4.640 0.002 0.000 0.190 1286 D C 0.874 177.127 176.300 -0.080 0.000 0.995 1286 D CA 1.305 55.272 54.000 -0.054 0.000 0.834 1286 D CB -0.444 40.306 40.800 -0.083 0.000 0.967 1286 D HN 0.081 nan 8.370 nan 0.000 0.446 1287 V N 1.110 120.925 119.914 -0.164 0.000 2.481 1287 V HA 0.197 4.318 4.120 0.002 0.000 0.286 1287 V C 0.022 176.035 176.094 -0.136 0.000 1.042 1287 V CA -0.907 61.281 62.300 -0.187 0.000 0.928 1287 V CB 1.686 33.269 31.823 -0.400 0.000 0.986 1287 V HN 0.074 nan 8.190 nan 0.000 0.462 1288 N N 3.672 122.332 118.700 -0.068 0.000 2.454 1288 N HA -0.046 4.695 4.740 0.002 0.000 0.254 1288 N C 1.465 176.926 175.510 -0.082 0.000 1.228 1288 N CA 0.805 53.842 53.050 -0.021 0.000 0.900 1288 N CB 1.684 40.209 38.487 0.063 0.000 1.089 1288 N HN 1.045 nan 8.380 nan 0.000 0.449 1289 T N 1.556 116.033 114.554 -0.128 0.000 2.778 1289 T HA -0.173 4.178 4.350 0.002 0.000 0.269 1289 T C 1.599 176.097 174.700 -0.338 0.000 1.050 1289 T CA 1.293 63.229 62.100 -0.273 0.000 1.137 1289 T CB -0.465 68.172 68.868 -0.385 0.000 0.860 1289 T HN 0.498 nan 8.240 nan 0.000 0.468 1290 F N 1.837 121.757 119.950 -0.050 0.000 2.604 1290 F HA 0.202 4.730 4.527 0.002 0.000 0.298 1290 F C 1.815 177.583 175.800 -0.054 0.000 1.131 1290 F CA 0.358 58.331 58.000 -0.045 0.000 1.457 1290 F CB -0.061 38.922 39.000 -0.028 0.000 1.095 1290 F HN 0.239 nan 8.300 nan 0.000 0.574 1291 D N -0.692 119.735 120.400 0.046 0.000 2.407 1291 D HA 0.077 4.718 4.640 0.002 0.000 0.208 1291 D C 2.421 178.689 176.300 -0.053 0.000 1.083 1291 D CA 0.264 54.272 54.000 0.014 0.000 0.844 1291 D CB 0.334 41.144 40.800 0.017 0.000 0.967 1291 D HN 0.137 nan 8.370 nan 0.000 0.506 1292 I N 1.524 122.000 120.570 -0.157 0.000 2.208 1292 I HA -0.228 3.943 4.170 0.002 0.000 0.245 1292 I C 2.138 178.172 176.117 -0.139 0.000 1.097 1292 I CA 1.340 62.482 61.300 -0.262 0.000 1.363 1292 I CB -1.207 36.568 38.000 -0.374 0.000 1.051 1292 I HN -0.020 nan 8.210 nan 0.000 0.413 1293 T N 0.843 115.333 114.554 -0.107 0.000 2.746 1293 T HA -0.103 4.248 4.350 0.002 0.000 0.267 1293 T C 2.154 176.833 174.700 -0.034 0.000 1.039 1293 T CA 1.120 63.171 62.100 -0.083 0.000 1.142 1293 T CB -0.399 68.424 68.868 -0.074 0.000 0.866 1293 T HN 0.123 nan 8.240 nan 0.000 0.444 1294 V N 0.249 120.162 119.914 -0.003 0.000 2.453 1294 V HA -0.121 4.000 4.120 0.002 0.000 0.247 1294 V C 1.989 178.099 176.094 0.026 0.000 1.048 1294 V CA 1.286 63.593 62.300 0.010 0.000 1.049 1294 V CB -0.683 31.154 31.823 0.024 0.000 0.672 1294 V HN 0.470 nan 8.190 nan 0.000 0.457 1295 Y N 0.629 120.876 120.300 -0.089 0.000 2.097 1295 Y HA -0.255 4.296 4.550 0.002 0.000 0.282 1295 Y C 2.192 178.048 175.900 -0.074 0.000 1.152 1295 Y CA 1.912 59.957 58.100 -0.091 0.000 1.136 1295 Y CB -0.192 38.176 38.460 -0.154 0.000 0.975 1295 Y HN 0.150 nan 8.280 nan 0.000 0.498 1296 L N -1.102 120.153 121.223 0.053 0.000 2.156 1296 L HA -0.180 4.161 4.340 0.002 0.000 0.208 1296 L C 2.118 178.984 176.870 -0.008 0.000 1.095 1296 L CA 0.229 55.086 54.840 0.030 0.000 0.770 1296 L CB -0.496 41.618 42.059 0.090 0.000 0.914 1296 L HN 0.243 nan 8.230 nan 0.000 0.439 1297 L N -0.139 121.069 121.223 -0.026 0.000 2.275 1297 L HA -0.165 4.176 4.340 0.002 0.000 0.215 1297 L C 2.361 179.203 176.870 -0.047 0.000 1.119 1297 L CA 1.625 56.448 54.840 -0.029 0.000 0.790 1297 L CB -0.861 41.180 42.059 -0.030 0.000 0.919 1297 L HN 0.358 nan 8.230 nan 0.000 0.443 1298 Q N -1.259 118.491 119.800 -0.083 0.000 2.389 1298 Q HA 0.095 4.436 4.340 0.002 0.000 0.204 1298 Q C 1.362 177.295 176.000 -0.111 0.000 0.944 1298 Q CA 0.687 56.428 55.803 -0.103 0.000 0.908 1298 Q CB 0.177 28.825 28.738 -0.150 0.000 1.002 1298 Q HN 0.588 nan 8.270 nan 0.000 0.493 1299 G N 0.965 109.700 108.800 -0.108 0.000 2.179 1299 G HA2 -0.238 3.723 3.960 0.002 0.000 0.220 1299 G HA3 -0.238 3.723 3.960 0.002 0.000 0.220 1299 G C -0.055 174.771 174.900 -0.123 0.000 0.990 1299 G CA -0.397 44.652 45.100 -0.085 0.000 0.646 1299 G HN 0.162 nan 8.290 nan 0.000 0.517 1300 R N 0.189 120.532 120.500 -0.261 0.000 2.641 1300 R HA 0.704 5.045 4.340 0.002 0.000 0.269 1300 R C 0.454 176.662 176.300 -0.154 0.000 1.074 1300 R CA 0.007 55.892 56.100 -0.358 0.000 1.133 1300 R CB 0.449 30.148 30.300 -1.001 0.000 1.029 1300 R HN 0.181 nan 8.270 nan 0.000 0.488 1301 R N 1.041 121.531 120.500 -0.016 0.000 2.781 1301 R HA 0.315 4.656 4.340 0.002 0.000 0.269 1301 R C -0.659 175.628 176.300 -0.021 0.000 1.025 1301 R CA -1.113 54.977 56.100 -0.017 0.000 0.914 1301 R CB 0.852 31.157 30.300 0.008 0.000 1.236 1301 R HN 0.412 nan 8.270 nan 0.000 0.465 1302 L N 2.191 123.170 121.223 -0.406 0.000 2.525 1302 L HA 0.110 4.451 4.340 0.002 0.000 0.278 1302 L C 0.448 177.370 176.870 0.087 0.000 1.218 1302 L CA 0.173 54.696 54.840 -0.529 0.000 0.878 1302 L CB 0.040 41.303 42.059 -1.327 0.000 1.127 1302 L HN 0.254 nan 8.230 nan 0.000 0.492 1303 L N 3.087 124.403 121.223 0.154 0.000 2.436 1303 L HA 0.153 4.494 4.340 0.002 0.000 0.265 1303 L C 0.568 177.548 176.870 0.183 0.000 1.168 1303 L CA -0.221 54.743 54.840 0.207 0.000 0.815 1303 L CB 0.534 42.657 42.059 0.107 0.000 1.109 1303 L HN 0.616 nan 8.230 nan 0.000 0.462 1304 Q N 4.894 124.436 119.800 -0.430 0.000 2.244 1304 Q HA 0.148 4.489 4.340 0.002 0.000 0.278 1304 Q C -2.209 173.608 176.000 -0.305 0.000 1.093 1304 Q CA -1.307 54.013 55.803 -0.806 0.000 0.916 1304 Q CB 0.674 28.558 28.738 -1.423 0.000 1.159 1304 Q HN 0.288 nan 8.270 nan 0.000 0.384 1305 P HA 0.006 nan 4.420 nan 0.000 0.274 1305 P C -1.035 176.092 177.300 -0.289 0.000 1.231 1305 P CA -0.174 62.765 63.100 -0.268 0.000 0.790 1305 P CB 0.644 32.099 31.700 -0.407 0.000 0.951 1306 E N 1.553 121.522 120.200 -0.384 0.000 2.392 1306 E HA -0.016 4.335 4.350 0.002 0.000 0.264 1306 E C -0.365 175.891 176.600 -0.573 0.000 1.024 1306 E CA -0.476 55.573 56.400 -0.586 0.000 0.903 1306 E CB -0.177 28.971 29.700 -0.919 0.000 0.963 1306 E HN 0.589 nan 8.360 nan 0.000 0.432 1307 Y N -1.567 118.705 120.300 -0.046 0.000 4.526 1307 Y HA -0.327 4.224 4.550 0.002 0.000 0.313 1307 Y C 0.942 176.833 175.900 -0.014 0.000 1.064 1307 Y CA 0.217 58.313 58.100 -0.008 0.000 1.702 1307 Y CB -1.891 36.562 38.460 -0.012 0.000 0.917 1307 Y HN 0.742 nan 8.280 nan 0.000 0.414 1308 C N 5.153 124.473 119.300 0.033 0.000 2.619 1308 C HA 0.283 4.745 4.460 0.002 0.000 0.389 1308 C C -1.283 173.704 174.990 -0.005 0.000 1.314 1308 C CA -1.815 57.189 59.018 -0.024 0.000 1.678 1308 C CB -0.453 27.244 27.740 -0.072 0.000 2.398 1308 C HN 0.114 nan 8.230 nan 0.000 0.582 1309 P HA 0.054 nan 4.420 nan 0.000 0.265 1309 P C 0.680 178.002 177.300 0.037 0.000 1.187 1309 P CA 0.491 63.603 63.100 0.019 0.000 0.766 1309 P CB 0.552 32.214 31.700 -0.064 0.000 0.820 1310 D N 3.761 124.199 120.400 0.064 0.000 2.133 1310 D HA -0.143 4.498 4.640 0.002 0.000 0.195 1310 D C -0.643 175.710 176.300 0.089 0.000 0.997 1310 D CA 1.835 55.888 54.000 0.090 0.000 0.840 1310 D CB -1.230 39.615 40.800 0.075 0.000 0.947 1310 D HN 0.466 nan 8.370 nan 0.000 0.452 1311 P HA -0.076 nan 4.420 nan 0.000 0.223 1311 P C 1.924 179.228 177.300 0.008 0.000 1.151 1311 P CA 0.477 63.594 63.100 0.028 0.000 0.787 1311 P CB 0.092 31.807 31.700 0.026 0.000 0.788 1312 L N -1.501 119.729 121.223 0.010 0.000 2.072 1312 L HA -0.134 4.207 4.340 0.002 0.000 0.205 1312 L C 2.629 179.500 176.870 0.003 0.000 1.079 1312 L CA 1.539 56.372 54.840 -0.011 0.000 0.752 1312 L CB -0.877 41.160 42.059 -0.037 0.000 0.906 1312 L HN -0.080 nan 8.230 nan 0.000 0.436 1313 Y N 1.142 121.394 120.300 -0.080 0.000 2.274 1313 Y HA -0.272 4.279 4.550 0.002 0.000 0.290 1313 Y C 2.587 178.411 175.900 -0.126 0.000 1.145 1313 Y CA 1.833 59.883 58.100 -0.084 0.000 1.203 1313 Y CB -0.195 38.252 38.460 -0.022 0.000 0.984 1313 Y HN 0.288 nan 8.280 nan 0.000 0.533 1314 E N -0.696 119.437 120.200 -0.113 0.000 2.077 1314 E HA -0.172 4.179 4.350 0.002 0.000 0.193 1314 E C 2.176 178.622 176.600 -0.256 0.000 0.989 1314 E CA 1.521 57.809 56.400 -0.187 0.000 0.800 1314 E CB -0.132 29.528 29.700 -0.068 0.000 0.746 1314 E HN 0.354 nan 8.360 nan 0.000 0.452 1315 V N 1.103 120.895 119.914 -0.203 0.000 2.343 1315 V HA -0.303 3.818 4.120 0.002 0.000 0.247 1315 V C 2.435 178.290 176.094 -0.398 0.000 1.051 1315 V CA 1.852 64.028 62.300 -0.208 0.000 1.036 1315 V CB -0.400 31.364 31.823 -0.099 0.000 0.654 1315 V HN 0.366 nan 8.190 nan 0.000 0.451 1316 M N -0.916 118.339 119.600 -0.574 0.000 2.086 1316 M HA -0.187 4.294 4.480 0.002 0.000 0.261 1316 M C 2.192 177.581 176.300 -1.518 0.000 1.067 1316 M CA 1.993 56.611 55.300 -1.137 0.000 1.116 1316 M CB -0.508 31.425 32.600 -1.112 0.000 1.348 1316 M HN 0.256 nan 8.290 nan 0.000 0.407 1317 L N -0.131 120.489 121.223 -1.004 0.000 2.042 1317 L HA -0.247 4.094 4.340 0.002 0.000 0.210 1317 L C 2.458 179.107 176.870 -0.369 0.000 1.076 1317 L CA 1.350 55.843 54.840 -0.579 0.000 0.749 1317 L CB -0.701 41.090 42.059 -0.445 0.000 0.893 1317 L HN 0.297 nan 8.230 nan 0.000 0.432 1318 K N -0.813 119.388 120.400 -0.332 0.000 2.148 1318 K HA -0.107 4.214 4.320 0.002 0.000 0.204 1318 K C 2.143 178.641 176.600 -0.170 0.000 1.050 1318 K CA 1.224 57.418 56.287 -0.156 0.000 0.942 1318 K CB -0.272 32.151 32.500 -0.128 0.000 0.724 1318 K HN 0.380 nan 8.250 nan 0.000 0.446 1319 C N -0.001 119.067 119.300 -0.387 0.000 2.432 1319 C HA -0.067 4.394 4.460 0.002 0.000 0.280 1319 C C 1.478 176.329 174.990 -0.232 0.000 1.353 1319 C CA 0.084 58.902 59.018 -0.334 0.000 1.766 1319 C CB -0.734 26.705 27.740 -0.502 0.000 1.924 1319 C HN 0.560 nan 8.230 nan 0.000 0.509 1320 W N 0.485 121.524 121.300 -0.436 0.000 3.269 1320 W HA 0.275 4.936 4.660 0.002 0.000 0.413 1320 W C 0.912 177.283 176.519 -0.248 0.000 1.057 1320 W CA -0.681 56.136 57.345 -0.879 0.000 1.953 1320 W CB -1.677 27.116 29.460 -1.111 0.000 1.053 1320 W HN 0.437 nan 8.180 nan 0.000 0.753 1321 H N 2.379 121.509 119.070 0.101 0.000 2.886 1321 H HA 0.028 4.585 4.556 0.002 0.000 0.329 1321 H C -1.434 174.060 175.328 0.277 0.000 1.044 1321 H CA -0.774 55.357 56.048 0.139 0.000 1.456 1321 H CB 1.514 31.317 29.762 0.067 0.000 1.464 1321 H HN -0.143 nan 8.280 nan 0.000 0.573 1322 P HA -0.111 nan 4.420 nan 0.000 0.216 1322 P C -0.251 177.235 177.300 0.309 0.000 1.150 1322 P CA 1.621 64.873 63.100 0.253 0.000 0.837 1322 P CB 0.271 32.015 31.700 0.074 0.000 0.786 1323 K N -0.162 120.554 120.400 0.526 0.000 2.267 1323 K HA 0.399 4.720 4.320 0.002 0.000 0.282 1323 K C 1.111 177.815 176.600 0.174 0.000 1.078 1323 K CA -0.177 56.279 56.287 0.282 0.000 0.903 1323 K CB 1.082 33.706 32.500 0.207 0.000 1.111 1323 K HN -0.087 nan 8.250 nan 0.000 0.475 1324 A N 3.887 126.781 122.820 0.123 0.000 1.917 1324 A HA -0.231 4.090 4.320 0.002 0.000 0.219 1324 A C 1.908 179.504 177.584 0.019 0.000 1.182 1324 A CA 1.716 53.809 52.037 0.092 0.000 0.633 1324 A CB -0.302 18.740 19.000 0.069 0.000 0.819 1324 A HN 0.862 nan 8.150 nan 0.000 0.448 1325 E N -0.469 119.725 120.200 -0.011 0.000 2.333 1325 E HA -0.157 4.194 4.350 0.002 0.000 0.198 1325 E C 1.369 177.904 176.600 -0.109 0.000 1.007 1325 E CA 0.976 57.349 56.400 -0.045 0.000 0.845 1325 E CB -0.472 29.208 29.700 -0.033 0.000 0.766 1325 E HN 0.547 nan 8.360 nan 0.000 0.507 1326 M N 0.829 120.306 119.600 -0.205 0.000 2.502 1326 M HA 0.167 4.649 4.480 0.002 0.000 0.243 1326 M C 0.650 176.769 176.300 -0.301 0.000 1.130 1326 M CA 0.188 55.256 55.300 -0.387 0.000 1.055 1326 M CB -0.207 31.804 32.600 -0.982 0.000 1.457 1326 M HN -0.051 nan 8.290 nan 0.000 0.488 1327 R N 1.639 122.048 120.500 -0.153 0.000 2.582 1327 R HA 0.258 4.599 4.340 0.002 0.000 0.271 1327 R C -2.135 174.094 176.300 -0.117 0.000 1.078 1327 R CA -1.432 54.615 56.100 -0.088 0.000 1.127 1327 R CB -0.172 30.124 30.300 -0.005 0.000 1.038 1327 R HN 0.025 nan 8.270 nan 0.000 0.500 1328 P HA -0.016 nan 4.420 nan 0.000 0.271 1328 P C -0.519 176.654 177.300 -0.210 0.000 1.218 1328 P CA -0.218 62.794 63.100 -0.146 0.000 0.780 1328 P CB 1.065 32.683 31.700 -0.137 0.000 0.901 1329 S N 1.328 116.927 115.700 -0.168 0.000 2.624 1329 S HA 0.203 4.674 4.470 0.002 0.000 0.263 1329 S C 1.019 175.474 174.600 -0.242 0.000 1.287 1329 S CA -0.305 57.786 58.200 -0.181 0.000 0.990 1329 S CB -0.074 63.084 63.200 -0.069 0.000 0.950 1329 S HN 0.229 nan 8.310 nan 0.000 0.561 1330 F N 0.666 120.551 119.950 -0.108 0.000 2.293 1330 F HA 0.010 4.538 4.527 0.002 0.000 0.300 1330 F C 2.962 178.670 175.800 -0.153 0.000 1.086 1330 F CA 1.249 59.140 58.000 -0.183 0.000 1.375 1330 F CB -0.800 38.080 39.000 -0.199 0.000 1.045 1330 F HN 0.716 nan 8.300 nan 0.000 0.516 1331 S N 0.065 115.794 115.700 0.050 0.000 2.348 1331 S HA -0.192 4.280 4.470 0.002 0.000 0.221 1331 S C 2.028 176.622 174.600 -0.009 0.000 1.033 1331 S CA 1.672 59.880 58.200 0.015 0.000 1.010 1331 S CB -0.278 62.926 63.200 0.007 0.000 0.891 1331 S HN 0.500 nan 8.310 nan 0.000 0.442 1332 E N 0.668 120.848 120.200 -0.032 0.000 2.110 1332 E HA -0.116 4.235 4.350 0.002 0.000 0.193 1332 E C 2.072 178.648 176.600 -0.041 0.000 0.988 1332 E CA 0.768 57.145 56.400 -0.038 0.000 0.804 1332 E CB -0.271 29.396 29.700 -0.055 0.000 0.745 1332 E HN 0.347 nan 8.360 nan 0.000 0.458 1333 L N 1.089 122.269 121.223 -0.072 0.000 1.989 1333 L HA -0.150 4.191 4.340 0.002 0.000 0.211 1333 L C 2.631 179.491 176.870 -0.016 0.000 1.071 1333 L CA 1.378 56.177 54.840 -0.068 0.000 0.749 1333 L CB -1.313 40.631 42.059 -0.192 0.000 0.890 1333 L HN 0.134 nan 8.230 nan 0.000 0.431 1334 V N -1.453 118.450 119.914 -0.019 0.000 2.407 1334 V HA -0.261 3.860 4.120 0.002 0.000 0.248 1334 V C 2.526 178.633 176.094 0.021 0.000 1.055 1334 V CA 2.126 64.428 62.300 0.004 0.000 1.049 1334 V CB -0.046 31.776 31.823 -0.002 0.000 0.662 1334 V HN 0.471 nan 8.190 nan 0.000 0.455 1335 S N 0.538 116.247 115.700 0.014 0.000 2.356 1335 S HA -0.166 4.305 4.470 0.002 0.000 0.223 1335 S C 1.923 176.542 174.600 0.031 0.000 1.032 1335 S CA 2.003 60.216 58.200 0.022 0.000 1.005 1335 S CB -0.351 62.856 63.200 0.012 0.000 0.867 1335 S HN 0.735 nan 8.310 nan 0.000 0.449 1336 R N 0.851 121.365 120.500 0.024 0.000 2.075 1336 R HA 0.059 4.400 4.340 0.002 0.000 0.232 1336 R C 2.117 178.449 176.300 0.053 0.000 1.126 1336 R CA 1.089 57.207 56.100 0.030 0.000 0.963 1336 R CB -0.582 29.725 30.300 0.012 0.000 0.858 1336 R HN 0.340 nan 8.270 nan 0.000 0.435 1337 I N 1.127 121.737 120.570 0.067 0.000 2.179 1337 I HA -0.239 3.933 4.170 0.002 0.000 0.242 1337 I C 2.619 178.809 176.117 0.121 0.000 1.088 1337 I CA 1.308 62.665 61.300 0.094 0.000 1.357 1337 I CB -1.157 36.914 38.000 0.119 0.000 1.051 1337 I HN 0.195 nan 8.210 nan 0.000 0.409 1338 S N 0.905 116.665 115.700 0.100 0.000 2.359 1338 S HA -0.200 4.271 4.470 0.002 0.000 0.224 1338 S C 2.272 176.977 174.600 0.175 0.000 1.035 1338 S CA 1.780 60.062 58.200 0.136 0.000 1.018 1338 S CB -0.226 63.026 63.200 0.086 0.000 0.876 1338 S HN 0.493 nan 8.310 nan 0.000 0.448 1339 A N 1.389 124.276 122.820 0.111 0.000 1.883 1339 A HA -0.044 4.277 4.320 0.002 0.000 0.217 1339 A C 2.160 179.804 177.584 0.100 0.000 1.186 1339 A CA 1.715 53.807 52.037 0.092 0.000 0.624 1339 A CB -0.853 18.183 19.000 0.060 0.000 0.822 1339 A HN 0.651 nan 8.150 nan 0.000 0.444 1340 I N -2.004 118.627 120.570 0.101 0.000 2.179 1340 I HA -0.222 3.949 4.170 0.002 0.000 0.242 1340 I C 2.381 178.565 176.117 0.111 0.000 1.088 1340 I CA 1.662 63.011 61.300 0.082 0.000 1.357 1340 I CB -0.429 37.596 38.000 0.041 0.000 1.051 1340 I HN 0.446 nan 8.210 nan 0.000 0.409 1341 F N 1.842 121.796 119.950 0.006 0.000 2.095 1341 F HA -0.258 4.270 4.527 0.002 0.000 0.298 1341 F C 2.673 178.524 175.800 0.084 0.000 1.104 1341 F CA 1.983 59.995 58.000 0.021 0.000 1.232 1341 F CB -0.389 38.618 39.000 0.012 0.000 0.987 1341 F HN -0.072 nan 8.300 nan 0.000 0.475 1342 S N -0.799 114.933 115.700 0.054 0.000 2.382 1342 S HA -0.170 4.302 4.470 0.002 0.000 0.228 1342 S C 1.630 176.195 174.600 -0.058 0.000 1.027 1342 S CA 1.593 59.770 58.200 -0.039 0.000 0.991 1342 S CB -0.933 62.318 63.200 0.085 0.000 0.823 1342 S HN 0.619 nan 8.310 nan 0.000 0.469 1343 T N -0.822 113.738 114.554 0.011 0.000 3.284 1343 T HA 0.481 4.833 4.350 0.002 0.000 0.249 1343 T C -0.387 174.358 174.700 0.076 0.000 0.944 1343 T CA -0.553 61.561 62.100 0.022 0.000 0.919 1343 T CB -0.728 68.164 68.868 0.040 0.000 1.089 1343 T HN 0.198 nan 8.240 nan 0.000 0.576 1344 F N 0.117 119.971 119.950 -0.160 0.000 2.650 1344 F HA 0.731 5.259 4.527 0.002 0.000 0.320 1344 F C -0.281 175.402 175.800 -0.194 0.000 1.091 1344 F CA -1.691 56.221 58.000 -0.147 0.000 0.962 1344 F CB 1.920 40.845 39.000 -0.124 0.000 1.363 1344 F HN -0.029 nan 8.300 nan 0.000 0.482 1345 I N 1.456 121.406 120.570 -1.033 0.000 3.067 1345 I HA 0.131 4.302 4.170 0.002 0.000 0.376 1345 I C 0.556 176.041 176.117 -1.054 0.000 0.746 1345 I CA 0.778 61.627 61.300 -0.752 0.000 0.925 1345 I CB -0.978 36.803 38.000 -0.364 0.000 3.648 1345 I HN 0.884 nan 8.210 nan 0.000 0.977 1346 G N 0.000 107.839 108.800 -1.601 0.000 5.446 1346 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 1346 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 1346 G CA 0.000 44.573 45.100 -0.878 0.000 0.502 1346 G HN 0.000 nan 8.290 nan 0.000 0.925