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 2wgj_1_A DATA FIRST_RESID 1052 DATA SEQUENCE HIDLSALNPE LVQAVQHVVI GPSSLIVHFN EVIGRGHFGC VYHGTLLXXX DATA SEQUENCE XKKIHCAVKS LNRITDIGEV SQFLTEGIIM KDFSHPNVLS LLGICLRSEG DATA SEQUENCE SPLVVLPYMK HGDLRNFIRN ETHNPTVKDL IGFGLQVAKG MKYLASKKFV DATA SEQUENCE HRDLAARNCM LDEKFTVKVA DFGLARDMYD KEYYSVHNKT GAKLPVKWMA DATA SEQUENCE LESLQTQKFT TKSDVWSFGV LLWELMTRGA PPYPDVNTFD ITVYLLQGRR DATA SEQUENCE LLQPEYCPDP LYEVMLKCWH PKAEMRPSFS ELVSRISAIF STFI 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 1052 H HA 0.000 nan 4.556 nan 0.000 0.296 1052 H C 0.000 175.319 175.328 -0.015 0.000 0.993 1052 H CA 0.000 56.037 56.048 -0.019 0.000 1.023 1052 H CB 0.000 29.750 29.762 -0.020 0.000 1.292 1053 I N 3.812 124.422 120.570 0.066 0.000 2.569 1053 I HA 0.127 4.297 4.170 -0.000 0.000 0.290 1053 I C -0.636 175.506 176.117 0.041 0.000 1.088 1053 I CA -0.348 60.982 61.300 0.049 0.000 1.047 1053 I CB 1.974 39.984 38.000 0.016 0.000 1.237 1053 I HN 0.424 nan 8.210 nan 0.000 0.421 1054 D N 5.733 126.160 120.400 0.045 0.000 2.283 1054 D HA 0.270 4.910 4.640 -0.000 0.000 0.248 1054 D C 0.596 176.907 176.300 0.018 0.000 1.072 1054 D CA -0.663 53.358 54.000 0.035 0.000 0.929 1054 D CB 1.406 42.226 40.800 0.034 0.000 1.182 1054 D HN 0.159 nan 8.370 nan 0.000 0.433 1055 L N 1.120 122.350 121.223 0.012 0.000 2.221 1055 L HA -0.031 4.309 4.340 -0.000 0.000 0.202 1055 L C 1.982 178.855 176.870 0.005 0.000 1.074 1055 L CA 1.303 56.146 54.840 0.005 0.000 0.795 1055 L CB -1.119 40.940 42.059 0.000 0.000 0.960 1055 L HN 0.635 nan 8.230 nan 0.000 0.458 1056 S N -0.740 114.963 115.700 0.006 0.000 2.555 1056 S HA 0.030 4.500 4.470 -0.000 0.000 0.230 1056 S C 1.770 176.373 174.600 0.006 0.000 0.978 1056 S CA 0.580 58.783 58.200 0.004 0.000 0.934 1056 S CB -0.219 62.984 63.200 0.004 0.000 0.766 1056 S HN 0.284 nan 8.310 nan 0.000 0.533 1057 A N 0.863 123.688 122.820 0.008 0.000 2.169 1057 A HA 0.463 4.782 4.320 -0.000 0.000 0.212 1057 A C 0.789 178.377 177.584 0.008 0.000 1.153 1057 A CA -0.065 51.977 52.037 0.008 0.000 0.756 1057 A CB -0.365 18.641 19.000 0.011 0.000 0.813 1057 A HN 0.579 nan 8.150 nan 0.000 0.471 1058 L N -0.355 120.872 121.223 0.007 0.000 2.416 1058 L HA 0.266 4.606 4.340 -0.000 0.000 0.262 1058 L C 0.756 177.629 176.870 0.005 0.000 1.093 1058 L CA -0.940 53.904 54.840 0.006 0.000 0.801 1058 L CB 0.321 42.384 42.059 0.006 0.000 1.191 1058 L HN 0.267 nan 8.230 nan 0.000 0.459 1059 N N 1.795 120.498 118.700 0.005 0.000 2.359 1059 N HA -0.031 4.709 4.740 -0.000 0.000 0.261 1059 N C -1.939 173.573 175.510 0.004 0.000 1.267 1059 N CA -0.857 52.196 53.050 0.004 0.000 0.864 1059 N CB 1.281 39.770 38.487 0.004 0.000 1.063 1059 N HN 0.357 nan 8.380 nan 0.000 0.474 1060 P HA -0.111 nan 4.420 nan 0.000 0.218 1060 P C 0.731 178.034 177.300 0.005 0.000 1.149 1060 P CA 1.164 64.266 63.100 0.003 0.000 0.817 1060 P CB 0.214 31.915 31.700 0.002 0.000 0.785 1061 E N -0.444 119.761 120.200 0.007 0.000 2.150 1061 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 1061 E C 1.946 178.554 176.600 0.014 0.000 0.985 1061 E CA 0.819 57.226 56.400 0.012 0.000 0.814 1061 E CB -0.908 28.798 29.700 0.009 0.000 0.752 1061 E HN 0.250 nan 8.360 nan 0.000 0.466 1062 L N 1.281 122.508 121.223 0.007 0.000 2.093 1062 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 1062 L C 2.267 179.143 176.870 0.009 0.000 1.085 1062 L CA 1.086 55.928 54.840 0.004 0.000 0.755 1062 L CB -0.182 41.876 42.059 -0.002 0.000 0.904 1062 L HN -0.139 nan 8.230 nan 0.000 0.435 1063 V N -0.540 119.378 119.914 0.007 0.000 2.490 1063 V HA -0.295 3.824 4.120 -0.000 0.000 0.250 1063 V C 2.569 178.664 176.094 0.003 0.000 1.061 1063 V CA 1.832 64.134 62.300 0.003 0.000 1.064 1063 V CB -0.764 31.058 31.823 -0.003 0.000 0.670 1063 V HN 0.524 nan 8.190 nan 0.000 0.461 1064 Q N 0.185 119.992 119.800 0.011 0.000 2.020 1064 Q HA -0.144 4.195 4.340 -0.000 0.000 0.202 1064 Q C 2.330 178.388 176.000 0.096 0.000 0.982 1064 Q CA 2.138 57.950 55.803 0.016 0.000 0.838 1064 Q CB -0.534 28.227 28.738 0.037 0.000 0.899 1064 Q HN 0.629 nan 8.270 nan 0.000 0.423 1065 A N -0.635 122.261 122.820 0.127 0.000 1.902 1065 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 1065 A C 2.230 179.896 177.584 0.137 0.000 1.181 1065 A CA 1.641 53.781 52.037 0.172 0.000 0.623 1065 A CB -0.792 18.232 19.000 0.039 0.000 0.818 1065 A HN 0.285 nan 8.150 nan 0.000 0.443 1066 V N -0.499 119.450 119.914 0.058 0.000 2.515 1066 V HA -0.272 3.848 4.120 -0.000 0.000 0.250 1066 V C 2.562 178.674 176.094 0.030 0.000 1.058 1066 V CA 2.197 64.515 62.300 0.030 0.000 1.064 1066 V CB -0.758 31.071 31.823 0.010 0.000 0.675 1066 V HN 0.644 nan 8.190 nan 0.000 0.461 1067 Q N -1.038 118.767 119.800 0.007 0.000 2.297 1067 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 1067 Q C 2.051 178.012 176.000 -0.065 0.000 0.962 1067 Q CA 1.075 56.851 55.803 -0.044 0.000 0.879 1067 Q CB -0.159 28.528 28.738 -0.084 0.000 0.947 1067 Q HN 0.759 nan 8.270 nan 0.000 0.462 1068 H N -1.650 117.407 119.070 -0.021 0.000 2.457 1068 H HA -0.103 4.453 4.556 -0.000 0.000 0.297 1068 H C 1.196 176.511 175.328 -0.021 0.000 1.092 1068 H CA 1.528 57.563 56.048 -0.021 0.000 1.309 1068 H CB 0.371 30.117 29.762 -0.027 0.000 1.382 1068 H HN 0.192 nan 8.280 nan 0.000 0.535 1069 V N -2.292 117.676 119.914 0.090 0.000 3.070 1069 V HA 0.267 4.386 4.120 -0.000 0.000 0.345 1069 V C 0.388 176.492 176.094 0.017 0.000 1.403 1069 V CA -0.538 61.788 62.300 0.042 0.000 1.155 1069 V CB -0.062 31.775 31.823 0.024 0.000 1.140 1069 V HN 0.029 nan 8.190 nan 0.000 0.505 1070 V N 2.950 122.869 119.914 0.008 0.000 2.740 1070 V HA 0.351 4.471 4.120 -0.000 0.000 0.303 1070 V C -0.080 176.011 176.094 -0.004 0.000 1.054 1070 V CA 0.275 62.574 62.300 -0.002 0.000 1.106 1070 V CB 1.045 32.861 31.823 -0.012 0.000 0.957 1070 V HN 0.424 nan 8.190 nan 0.000 0.486 1071 I N 6.207 126.774 120.570 -0.004 0.000 2.433 1071 I HA 0.444 4.613 4.170 -0.000 0.000 0.292 1071 I C 0.755 176.866 176.117 -0.010 0.000 1.001 1071 I CA -0.235 61.061 61.300 -0.007 0.000 1.119 1071 I CB 1.023 39.020 38.000 -0.006 0.000 1.289 1071 I HN 0.697 nan 8.210 nan 0.000 0.438 1072 G N 6.182 114.974 108.800 -0.012 0.000 2.370 1072 G HA2 0.401 4.361 3.960 -0.000 0.000 0.272 1072 G HA3 0.401 4.361 3.960 -0.000 0.000 0.272 1072 G C -1.771 173.120 174.900 -0.017 0.000 1.208 1072 G CA -0.942 44.149 45.100 -0.015 0.000 0.856 1072 G HN 0.397 nan 8.290 nan 0.000 0.500 1073 P HA -0.261 nan 4.420 nan 0.000 0.218 1073 P C 2.325 179.611 177.300 -0.023 0.000 1.154 1073 P CA 2.215 65.303 63.100 -0.020 0.000 0.872 1073 P CB 0.138 31.826 31.700 -0.020 0.000 0.790 1074 S N -1.597 114.090 115.700 -0.022 0.000 2.402 1074 S HA -0.169 4.301 4.470 -0.000 0.000 0.233 1074 S C 1.997 176.584 174.600 -0.023 0.000 1.030 1074 S CA 1.808 59.995 58.200 -0.022 0.000 1.003 1074 S CB -1.535 61.654 63.200 -0.018 0.000 0.813 1074 S HN 0.079 nan 8.310 nan 0.000 0.477 1075 S N 0.821 116.508 115.700 -0.021 0.000 2.481 1075 S HA 0.278 4.748 4.470 -0.000 0.000 0.231 1075 S C 0.191 174.776 174.600 -0.026 0.000 0.996 1075 S CA 0.196 58.385 58.200 -0.019 0.000 0.942 1075 S CB -0.305 62.886 63.200 -0.015 0.000 0.768 1075 S HN 0.499 nan 8.310 nan 0.000 0.520 1076 L N 1.243 122.445 121.223 -0.035 0.000 2.356 1076 L HA 0.575 4.915 4.340 -0.000 0.000 0.277 1076 L C -1.316 175.508 176.870 -0.077 0.000 0.996 1076 L CA -0.408 54.402 54.840 -0.050 0.000 0.822 1076 L CB 1.352 43.383 42.059 -0.046 0.000 1.256 1076 L HN -0.015 nan 8.230 nan 0.000 0.413 1077 I N 5.684 126.193 120.570 -0.103 0.000 2.362 1077 I HA 0.421 4.591 4.170 -0.000 0.000 0.289 1077 I C -0.746 175.215 176.117 -0.261 0.000 0.994 1077 I CA -0.817 60.377 61.300 -0.177 0.000 1.158 1077 I CB 1.758 39.654 38.000 -0.173 0.000 1.315 1077 I HN 0.242 nan 8.210 nan 0.000 0.451 1078 V N 5.569 125.250 119.914 -0.388 0.000 2.427 1078 V HA 0.254 4.374 4.120 -0.000 0.000 0.286 1078 V C 0.098 175.726 176.094 -0.776 0.000 1.034 1078 V CA -0.664 61.268 62.300 -0.615 0.000 0.893 1078 V CB 1.152 32.382 31.823 -0.989 0.000 0.982 1078 V HN 0.579 nan 8.190 nan 0.000 0.452 1079 H N 5.449 124.236 119.070 -0.471 0.000 2.821 1079 H HA 0.222 4.778 4.556 -0.000 0.000 0.262 1079 H C 0.232 175.388 175.328 -0.287 0.000 1.402 1079 H CA -0.148 55.735 56.048 -0.274 0.000 1.293 1079 H CB 0.451 30.148 29.762 -0.109 0.000 1.533 1079 H HN 0.626 nan 8.280 nan 0.000 0.528 1080 F N 1.566 121.417 119.950 -0.165 0.000 2.546 1080 F HA -0.175 4.352 4.527 -0.000 0.000 0.298 1080 F C 2.277 178.126 175.800 0.082 0.000 1.120 1080 F CA 0.521 58.329 58.000 -0.320 0.000 1.456 1080 F CB 0.002 38.768 39.000 -0.390 0.000 1.088 1080 F HN 0.498 nan 8.300 nan 0.000 0.572 1081 N N 0.641 119.486 118.700 0.242 0.000 2.398 1081 N HA -0.099 4.641 4.740 -0.000 0.000 0.188 1081 N C -0.236 175.404 175.510 0.217 0.000 1.122 1081 N CA 0.473 53.650 53.050 0.213 0.000 0.866 1081 N CB -0.347 38.229 38.487 0.148 0.000 0.970 1081 N HN 0.321 nan 8.380 nan 0.000 0.462 1082 E N 0.919 121.286 120.200 0.278 0.000 2.751 1082 E HA 0.259 4.609 4.350 -0.000 0.000 0.219 1082 E C -1.074 175.698 176.600 0.287 0.000 1.060 1082 E CA -0.429 56.127 56.400 0.260 0.000 0.893 1082 E CB 1.531 31.364 29.700 0.222 0.000 1.300 1082 E HN -0.027 nan 8.360 nan 0.000 0.433 1083 V N 4.470 124.497 119.914 0.188 0.000 2.488 1083 V HA 0.112 4.231 4.120 -0.000 0.000 0.277 1083 V C 1.204 177.290 176.094 -0.013 0.000 1.046 1083 V CA 0.056 62.364 62.300 0.014 0.000 0.986 1083 V CB 0.640 32.455 31.823 -0.013 0.000 0.989 1083 V HN 0.629 nan 8.190 nan 0.000 0.475 1084 I N 1.579 122.085 120.570 -0.108 0.000 4.082 1084 I HA 0.639 4.809 4.170 -0.000 0.000 0.337 1084 I C 0.619 176.678 176.117 -0.097 0.000 1.352 1084 I CA 0.104 61.354 61.300 -0.083 0.000 1.097 1084 I CB 0.707 38.627 38.000 -0.134 0.000 1.048 1084 I HN 0.629 nan 8.210 nan 0.000 0.393 1085 G N 2.266 110.994 108.800 -0.120 0.000 2.667 1085 G HA2 0.591 4.551 3.960 -0.000 0.000 0.294 1085 G HA3 0.591 4.551 3.960 -0.000 0.000 0.294 1085 G C -1.478 173.419 174.900 -0.005 0.000 1.467 1085 G CA -1.010 44.054 45.100 -0.060 0.000 0.852 1085 G HN 0.244 nan 8.290 nan 0.000 0.521 1086 R N 0.868 121.431 120.500 0.105 0.000 2.451 1086 R HA 0.704 5.044 4.340 -0.000 0.000 0.307 1086 R C 0.068 176.422 176.300 0.091 0.000 0.965 1086 R CA -0.861 55.279 56.100 0.067 0.000 0.865 1086 R CB 2.162 32.472 30.300 0.017 0.000 1.174 1086 R HN 0.742 nan 8.270 nan 0.000 0.455 1087 G N -0.088 108.718 108.800 0.010 0.000 2.667 1087 G HA2 0.112 4.072 3.960 -0.000 0.000 0.310 1087 G HA3 0.112 4.072 3.960 -0.000 0.000 0.310 1087 G C -0.021 174.738 174.900 -0.235 0.000 1.259 1087 G CA -0.569 44.387 45.100 -0.240 0.000 1.019 1087 G HN 0.750 nan 8.290 nan 0.000 0.496 1088 H N -0.531 118.225 119.070 -0.523 0.000 2.423 1088 H HA -0.046 4.510 4.556 -0.000 0.000 0.297 1088 H C 1.523 176.579 175.328 -0.453 0.000 1.075 1088 H CA 1.431 57.153 56.048 -0.543 0.000 1.342 1088 H CB 0.205 29.496 29.762 -0.786 0.000 1.395 1088 H HN 0.380 nan 8.280 nan 0.000 0.530 1089 F N 0.001 119.822 119.950 -0.215 0.000 2.569 1089 F HA 0.277 4.803 4.527 -0.000 0.000 0.295 1089 F C 1.540 177.226 175.800 -0.191 0.000 1.115 1089 F CA 0.795 58.635 58.000 -0.266 0.000 1.450 1089 F CB 0.375 39.149 39.000 -0.377 0.000 1.107 1089 F HN 0.237 nan 8.300 nan 0.000 0.563 1090 G N -1.543 107.259 108.800 0.003 0.000 2.320 1090 G HA2 0.253 4.213 3.960 -0.000 0.000 0.297 1090 G HA3 0.253 4.213 3.960 -0.000 0.000 0.297 1090 G C -1.637 173.280 174.900 0.028 0.000 1.344 1090 G CA -1.172 43.946 45.100 0.030 0.000 0.851 1090 G HN -0.030 nan 8.290 nan 0.000 0.567 1091 C N -0.721 118.582 119.300 0.004 0.000 2.500 1091 C HA 0.721 5.180 4.460 -0.000 0.000 0.367 1091 C C 0.803 175.620 174.990 -0.288 0.000 1.283 1091 C CA -0.337 58.565 59.018 -0.195 0.000 2.456 1091 C CB 0.805 28.287 27.740 -0.430 0.000 2.457 1091 C HN 0.608 nan 8.230 nan 0.000 0.632 1092 V N 1.696 121.373 119.914 -0.395 0.000 2.513 1092 V HA 0.486 4.606 4.120 -0.000 0.000 0.299 1092 V C -0.998 174.774 176.094 -0.537 0.000 1.035 1092 V CA -0.476 61.634 62.300 -0.317 0.000 0.889 1092 V CB 0.819 32.538 31.823 -0.173 0.000 0.988 1092 V HN 0.802 nan 8.190 nan 0.000 0.440 1093 Y N 1.325 121.587 120.300 -0.063 0.000 2.536 1093 Y HA 0.523 5.073 4.550 -0.000 0.000 0.347 1093 Y C 0.560 176.351 175.900 -0.182 0.000 1.000 1093 Y CA -1.077 56.960 58.100 -0.104 0.000 1.051 1093 Y CB 1.167 39.536 38.460 -0.151 0.000 1.259 1093 Y HN 0.543 nan 8.280 nan 0.000 0.468 1094 H N 0.905 119.974 119.070 -0.002 0.000 2.928 1094 H HA 0.359 4.915 4.556 -0.000 0.000 0.338 1094 H C 0.127 175.362 175.328 -0.155 0.000 1.047 1094 H CA 0.837 56.750 56.048 -0.225 0.000 1.435 1094 H CB 0.772 30.342 29.762 -0.320 0.000 1.428 1094 H HN 0.909 nan 8.280 nan 0.000 0.590 1095 G N 0.954 109.672 108.800 -0.137 0.000 2.704 1095 G HA2 0.385 4.344 3.960 -0.000 0.000 0.293 1095 G HA3 0.385 4.344 3.960 -0.000 0.000 0.293 1095 G C -0.875 173.933 174.900 -0.154 0.000 1.421 1095 G CA -0.644 44.403 45.100 -0.088 0.000 0.870 1095 G HN 0.609 nan 8.290 nan 0.000 0.492 1096 T N -0.884 113.629 114.554 -0.068 0.000 2.824 1096 T HA 0.605 4.954 4.350 -0.000 0.000 0.282 1096 T C -1.005 173.676 174.700 -0.032 0.000 0.993 1096 T CA -0.627 61.443 62.100 -0.050 0.000 0.967 1096 T CB 1.524 70.395 68.868 0.006 0.000 0.960 1096 T HN 0.616 nan 8.240 nan 0.000 0.441 1097 L N 5.988 127.200 121.223 -0.018 0.000 2.265 1097 L HA 0.664 5.004 4.340 -0.000 0.000 0.289 1097 L C -0.532 176.337 176.870 -0.001 0.000 1.033 1097 L CA -0.652 54.181 54.840 -0.012 0.000 0.814 1097 L CB 0.518 42.574 42.059 -0.006 0.000 1.203 1097 L HN 0.830 nan 8.230 nan 0.000 0.423 1104 K N 1.666 122.078 120.400 0.019 0.000 2.231 1104 K HA 0.302 4.622 4.320 -0.000 0.000 0.275 1104 K C -0.417 176.211 176.600 0.046 0.000 1.105 1104 K CA -0.276 56.028 56.287 0.029 0.000 0.931 1104 K CB 0.555 33.074 32.500 0.032 0.000 1.296 1104 K HN 0.103 nan 8.250 nan 0.000 0.446 1105 I N 2.506 123.102 120.570 0.044 0.000 2.371 1105 I HA 0.046 4.216 4.170 -0.000 0.000 0.290 1105 I C 0.935 177.106 176.117 0.090 0.000 1.028 1105 I CA -0.437 60.902 61.300 0.065 0.000 1.345 1105 I CB 0.425 38.451 38.000 0.043 0.000 1.407 1105 I HN 0.384 nan 8.210 nan 0.000 0.501 1106 H N 6.077 125.156 119.070 0.015 0.000 2.819 1106 H HA 0.312 4.868 4.556 -0.000 0.000 0.303 1106 H C -0.720 174.646 175.328 0.063 0.000 1.058 1106 H CA -0.279 55.774 56.048 0.008 0.000 1.471 1106 H CB 0.876 30.642 29.762 0.006 0.000 1.480 1106 H HN 0.869 nan 8.280 nan 0.000 0.517 1107 C N 2.561 121.795 119.300 -0.109 0.000 2.971 1107 C HA 0.838 5.298 4.460 -0.000 0.000 0.310 1107 C C 0.061 175.033 174.990 -0.031 0.000 1.285 1107 C CA -1.186 57.835 59.018 0.004 0.000 1.593 1107 C CB 0.677 28.415 27.740 -0.003 0.000 2.076 1107 C HN 0.900 nan 8.230 nan 0.000 0.472 1108 A N 0.846 123.705 122.820 0.065 0.000 2.274 1108 A HA 0.699 5.019 4.320 -0.000 0.000 0.309 1108 A C -0.578 177.007 177.584 0.002 0.000 1.226 1108 A CA -0.345 51.709 52.037 0.028 0.000 0.853 1108 A CB 0.318 19.346 19.000 0.046 0.000 1.146 1108 A HN 1.190 nan 8.150 nan 0.000 0.518 1109 V N 3.368 123.287 119.914 0.009 0.000 2.334 1109 V HA 0.302 4.422 4.120 -0.000 0.000 0.281 1109 V C 0.064 176.225 176.094 0.111 0.000 1.016 1109 V CA -0.688 61.642 62.300 0.051 0.000 0.832 1109 V CB 1.116 32.957 31.823 0.030 0.000 0.999 1109 V HN 0.886 nan 8.190 nan 0.000 0.439 1110 K N 3.788 124.247 120.400 0.099 0.000 2.262 1110 K HA 0.378 4.698 4.320 -0.000 0.000 0.282 1110 K C 0.152 176.850 176.600 0.163 0.000 1.066 1110 K CA 0.215 56.578 56.287 0.126 0.000 0.901 1110 K CB 1.133 33.715 32.500 0.137 0.000 1.089 1110 K HN 0.689 nan 8.250 nan 0.000 0.476 1111 S N 4.896 120.728 115.700 0.220 0.000 2.523 1111 S HA 0.246 4.716 4.470 -0.000 0.000 0.275 1111 S C 0.380 175.052 174.600 0.121 0.000 1.281 1111 S CA -0.662 57.675 58.200 0.229 0.000 1.050 1111 S CB 0.184 63.627 63.200 0.405 0.000 0.937 1111 S HN 0.693 nan 8.310 nan 0.000 0.492 1112 L N 4.650 125.910 121.223 0.062 0.000 2.848 1112 L HA 0.290 4.630 4.340 -0.000 0.000 0.240 1112 L C 0.884 177.743 176.870 -0.018 0.000 1.232 1112 L CA -0.290 54.532 54.840 -0.030 0.000 1.031 1112 L CB -0.455 41.537 42.059 -0.111 0.000 1.338 1112 L HN 0.564 nan 8.230 nan 0.000 0.509 1113 N N 0.400 119.117 118.700 0.028 0.000 2.494 1113 N HA -0.034 4.705 4.740 -0.000 0.000 0.182 1113 N C 1.755 177.260 175.510 -0.008 0.000 1.076 1113 N CA 0.558 53.616 53.050 0.013 0.000 0.908 1113 N CB 0.108 38.614 38.487 0.031 0.000 0.967 1113 N HN 0.210 nan 8.380 nan 0.000 0.449 1114 R N 0.162 120.652 120.500 -0.017 0.000 2.200 1114 R HA 0.171 4.510 4.340 -0.000 0.000 0.208 1114 R C 0.184 176.458 176.300 -0.045 0.000 1.033 1114 R CA 0.113 56.181 56.100 -0.053 0.000 1.000 1114 R CB 0.039 30.271 30.300 -0.113 0.000 0.906 1114 R HN 0.249 nan 8.270 nan 0.000 0.462 1115 I N 1.938 122.491 120.570 -0.028 0.000 2.389 1115 I HA -0.075 4.094 4.170 -0.000 0.000 0.295 1115 I C 1.882 177.979 176.117 -0.033 0.000 1.117 1115 I CA 0.143 61.418 61.300 -0.041 0.000 1.317 1115 I CB 1.019 38.938 38.000 -0.135 0.000 1.431 1115 I HN 0.017 nan 8.210 nan 0.000 0.521 1116 T N 3.340 117.883 114.554 -0.020 0.000 2.852 1116 T HA -0.104 4.246 4.350 -0.000 0.000 0.256 1116 T C 0.837 175.534 174.700 -0.004 0.000 1.038 1116 T CA 0.494 62.588 62.100 -0.011 0.000 1.141 1116 T CB 0.052 68.915 68.868 -0.009 0.000 0.869 1116 T HN 0.676 nan 8.240 nan 0.000 0.439 1117 D N 0.122 120.520 120.400 -0.003 0.000 2.304 1117 D HA 0.041 4.681 4.640 -0.000 0.000 0.247 1117 D C 1.177 177.477 176.300 -0.000 0.000 1.089 1117 D CA -0.395 53.606 54.000 0.002 0.000 0.910 1117 D CB 1.274 42.078 40.800 0.007 0.000 1.199 1117 D HN 0.238 nan 8.370 nan 0.000 0.426 1118 I N 3.257 123.830 120.570 0.005 0.000 2.394 1118 I HA -0.036 4.134 4.170 -0.000 0.000 0.251 1118 I C 2.194 178.316 176.117 0.008 0.000 1.136 1118 I CA 1.531 62.835 61.300 0.007 0.000 1.425 1118 I CB -0.183 37.824 38.000 0.011 0.000 1.079 1118 I HN 0.666 nan 8.210 nan 0.000 0.425 1119 G N -0.417 108.389 108.800 0.010 0.000 2.443 1119 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.219 1119 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.219 1119 G C 1.589 176.498 174.900 0.015 0.000 1.131 1119 G CA 0.364 45.472 45.100 0.013 0.000 0.775 1119 G HN 0.350 nan 8.290 nan 0.000 0.547 1120 E N 0.209 120.414 120.200 0.007 0.000 2.046 1120 E HA -0.055 4.294 4.350 -0.000 0.000 0.190 1120 E C 2.870 179.463 176.600 -0.013 0.000 0.982 1120 E CA 0.645 57.042 56.400 -0.005 0.000 0.800 1120 E CB -0.279 29.409 29.700 -0.021 0.000 0.756 1120 E HN 0.256 nan 8.360 nan 0.000 0.449 1121 V N 1.340 121.244 119.914 -0.017 0.000 2.287 1121 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 1121 V C 2.427 178.551 176.094 0.050 0.000 1.053 1121 V CA 1.978 64.281 62.300 0.006 0.000 1.027 1121 V CB -0.582 31.241 31.823 -0.001 0.000 0.646 1121 V HN 0.193 nan 8.190 nan 0.000 0.447 1122 S N -0.632 115.085 115.700 0.028 0.000 2.359 1122 S HA -0.352 4.118 4.470 -0.000 0.000 0.222 1122 S C 2.000 176.613 174.600 0.022 0.000 1.038 1122 S CA 2.089 60.302 58.200 0.022 0.000 1.051 1122 S CB -0.450 62.758 63.200 0.014 0.000 0.944 1122 S HN 0.630 nan 8.310 nan 0.000 0.433 1123 Q N 0.490 120.307 119.800 0.028 0.000 2.112 1123 Q HA -0.131 4.209 4.340 -0.000 0.000 0.206 1123 Q C 1.794 177.809 176.000 0.024 0.000 0.987 1123 Q CA 1.719 57.537 55.803 0.026 0.000 0.858 1123 Q CB -0.548 28.212 28.738 0.036 0.000 0.905 1123 Q HN 0.530 nan 8.270 nan 0.000 0.420 1124 F N -0.273 119.607 119.950 -0.117 0.000 2.113 1124 F HA -0.099 4.428 4.527 -0.000 0.000 0.297 1124 F C 1.589 177.325 175.800 -0.107 0.000 1.103 1124 F CA 1.333 59.235 58.000 -0.164 0.000 1.248 1124 F CB -0.146 38.666 39.000 -0.313 0.000 0.999 1124 F HN 0.105 nan 8.300 nan 0.000 0.475 1125 L N -0.683 120.518 121.223 -0.037 0.000 2.056 1125 L HA -0.213 4.126 4.340 -0.000 0.000 0.207 1125 L C 2.326 179.118 176.870 -0.131 0.000 1.078 1125 L CA 1.687 56.468 54.840 -0.098 0.000 0.749 1125 L CB -1.212 40.847 42.059 0.001 0.000 0.901 1125 L HN 0.126 nan 8.230 nan 0.000 0.433 1126 T N -0.743 113.761 114.554 -0.084 0.000 2.684 1126 T HA -0.251 4.099 4.350 -0.000 0.000 0.267 1126 T C 1.769 176.414 174.700 -0.092 0.000 1.036 1126 T CA 1.594 63.654 62.100 -0.067 0.000 1.148 1126 T CB -0.179 68.668 68.868 -0.034 0.000 0.863 1126 T HN 0.350 nan 8.240 nan 0.000 0.436 1127 E N -0.011 120.114 120.200 -0.125 0.000 2.208 1127 E HA 0.012 4.362 4.350 -0.000 0.000 0.193 1127 E C 2.316 178.831 176.600 -0.142 0.000 0.988 1127 E CA 0.679 57.013 56.400 -0.109 0.000 0.828 1127 E CB -0.115 29.517 29.700 -0.113 0.000 0.763 1127 E HN 0.534 nan 8.360 nan 0.000 0.478 1128 G N 0.333 108.957 108.800 -0.294 0.000 2.719 1128 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.211 1128 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.211 1128 G C 1.417 176.181 174.900 -0.226 0.000 1.140 1128 G CA -0.198 44.711 45.100 -0.319 0.000 0.790 1128 G HN 0.146 nan 8.290 nan 0.000 0.529 1129 I N 1.203 121.660 120.570 -0.189 0.000 2.361 1129 I HA -0.059 4.111 4.170 -0.000 0.000 0.251 1129 I C 2.324 178.319 176.117 -0.204 0.000 1.133 1129 I CA 0.602 61.806 61.300 -0.159 0.000 1.413 1129 I CB -0.065 37.870 38.000 -0.108 0.000 1.073 1129 I HN 0.198 nan 8.210 nan 0.000 0.424 1130 I N -0.040 120.392 120.570 -0.231 0.000 2.479 1130 I HA -0.382 3.788 4.170 -0.000 0.000 0.258 1130 I C 2.428 178.131 176.117 -0.689 0.000 1.165 1130 I CA 1.494 62.563 61.300 -0.385 0.000 1.422 1130 I CB -0.153 37.664 38.000 -0.305 0.000 1.087 1130 I HN 0.375 nan 8.210 nan 0.000 0.441 1131 M N 0.979 120.292 119.600 -0.479 0.000 2.260 1131 M HA -0.289 4.191 4.480 -0.000 0.000 0.261 1131 M C 2.083 178.233 176.300 -0.250 0.000 1.066 1131 M CA 2.231 57.332 55.300 -0.333 0.000 1.082 1131 M CB -0.205 32.290 32.600 -0.175 0.000 1.388 1131 M HN 0.311 nan 8.290 nan 0.000 0.419 1132 K N -1.350 118.905 120.400 -0.241 0.000 2.288 1132 K HA -0.091 4.229 4.320 -0.000 0.000 0.201 1132 K C 0.599 177.117 176.600 -0.138 0.000 1.048 1132 K CA 1.417 57.618 56.287 -0.143 0.000 0.956 1132 K CB -0.175 32.253 32.500 -0.120 0.000 0.746 1132 K HN 0.339 nan 8.250 nan 0.000 0.461 1133 D N 0.136 120.384 120.400 -0.253 0.000 2.358 1133 D HA 0.081 4.721 4.640 -0.000 0.000 0.224 1133 D C -0.794 175.523 176.300 0.029 0.000 1.123 1133 D CA 0.116 54.023 54.000 -0.156 0.000 0.833 1133 D CB 0.194 40.873 40.800 -0.202 0.000 0.946 1133 D HN 0.071 nan 8.370 nan 0.000 0.505 1134 F N 0.941 120.928 119.950 0.062 0.000 2.420 1134 F HA 0.328 4.855 4.527 -0.000 0.000 0.342 1134 F C 0.621 176.449 175.800 0.048 0.000 1.113 1134 F CA -1.758 56.328 58.000 0.144 0.000 1.059 1134 F CB 1.947 41.028 39.000 0.136 0.000 1.128 1134 F HN -0.366 nan 8.300 nan 0.000 0.475 1135 S N 4.071 119.874 115.700 0.172 0.000 2.775 1135 S HA 0.420 4.889 4.470 -0.000 0.000 0.277 1135 S C -1.748 172.649 174.600 -0.337 0.000 1.156 1135 S CA -0.329 57.843 58.200 -0.046 0.000 1.081 1135 S CB 0.214 63.422 63.200 0.012 0.000 1.054 1135 S HN 0.810 nan 8.310 nan 0.000 0.482 1136 H N 5.083 123.869 119.070 -0.475 0.000 3.029 1136 H HA 0.366 4.922 4.556 -0.000 0.000 0.358 1136 H C -2.556 172.615 175.328 -0.261 0.000 1.129 1136 H CA -1.361 54.373 56.048 -0.524 0.000 1.230 1136 H CB 2.543 31.730 29.762 -0.959 0.000 1.827 1136 H HN 0.400 nan 8.280 nan 0.000 0.530 1137 P HA -0.057 nan 4.420 nan 0.000 0.225 1137 P C -0.042 177.255 177.300 -0.005 0.000 1.148 1137 P CA 1.025 64.016 63.100 -0.181 0.000 0.779 1137 P CB 0.312 31.867 31.700 -0.242 0.000 0.780 1138 N N -0.913 117.929 118.700 0.237 0.000 2.273 1138 N HA 0.178 4.918 4.740 -0.000 0.000 0.231 1138 N C -0.840 174.714 175.510 0.074 0.000 1.134 1138 N CA -0.190 52.954 53.050 0.157 0.000 0.856 1138 N CB 0.722 39.300 38.487 0.150 0.000 1.068 1138 N HN -0.089 nan 8.380 nan 0.000 0.510 1139 V N 1.520 121.476 119.914 0.069 0.000 2.577 1139 V HA 0.248 4.368 4.120 -0.000 0.000 0.303 1139 V C -0.371 175.811 176.094 0.146 0.000 1.042 1139 V CA -1.009 61.335 62.300 0.073 0.000 0.872 1139 V CB 2.093 33.884 31.823 -0.053 0.000 0.998 1139 V HN 0.108 nan 8.190 nan 0.000 0.423 1140 L N 5.540 126.903 121.223 0.233 0.000 2.559 1140 L HA 0.273 4.613 4.340 -0.000 0.000 0.274 1140 L C 0.871 177.820 176.870 0.131 0.000 1.205 1140 L CA 0.975 55.894 54.840 0.132 0.000 0.907 1140 L CB 0.816 42.917 42.059 0.069 0.000 1.153 1140 L HN 0.936 nan 8.230 nan 0.000 0.490 1141 S N 4.954 120.689 115.700 0.059 0.000 2.693 1141 S HA 0.624 5.094 4.470 -0.000 0.000 0.276 1141 S C -0.461 174.134 174.600 -0.008 0.000 1.192 1141 S CA -0.974 57.255 58.200 0.048 0.000 0.994 1141 S CB 1.475 64.693 63.200 0.030 0.000 1.012 1141 S HN 0.662 nan 8.310 nan 0.000 0.550 1142 L N 1.495 122.709 121.223 -0.015 0.000 2.287 1142 L HA 0.475 4.815 4.340 -0.000 0.000 0.287 1142 L C 0.376 177.236 176.870 -0.017 0.000 1.022 1142 L CA -0.489 54.329 54.840 -0.037 0.000 0.814 1142 L CB 0.599 42.622 42.059 -0.060 0.000 1.217 1142 L HN 0.885 nan 8.230 nan 0.000 0.420 1143 L N 4.469 125.685 121.223 -0.012 0.000 2.072 1143 L HA 0.361 4.701 4.340 -0.000 0.000 0.205 1143 L C 1.098 177.966 176.870 -0.003 0.000 1.079 1143 L CA 0.856 55.694 54.840 -0.003 0.000 0.752 1143 L CB -0.550 41.510 42.059 0.002 0.000 0.906 1143 L HN 0.880 nan 8.230 nan 0.000 0.436 1144 G N -0.732 108.065 108.800 -0.005 0.000 2.321 1144 G HA2 0.305 4.265 3.960 -0.000 0.000 0.298 1144 G HA3 0.305 4.265 3.960 -0.000 0.000 0.298 1144 G C -1.784 173.117 174.900 0.002 0.000 1.385 1144 G CA -0.843 44.256 45.100 -0.002 0.000 0.856 1144 G HN -0.098 nan 8.290 nan 0.000 0.584 1145 I N 0.448 121.022 120.570 0.005 0.000 2.362 1145 I HA 0.380 4.549 4.170 -0.000 0.000 0.289 1145 I C 0.225 176.348 176.117 0.009 0.000 0.994 1145 I CA -0.571 60.736 61.300 0.012 0.000 1.158 1145 I CB 1.791 39.799 38.000 0.014 0.000 1.315 1145 I HN 0.554 nan 8.210 nan 0.000 0.451 1146 C N 8.490 127.797 119.300 0.012 0.000 2.256 1146 C HA 0.507 4.967 4.460 -0.000 0.000 0.333 1146 C C 0.142 175.136 174.990 0.006 0.000 1.183 1146 C CA -0.642 58.379 59.018 0.006 0.000 1.692 1146 C CB -1.377 26.365 27.740 0.004 0.000 2.274 1146 C HN 0.616 nan 8.230 nan 0.000 0.509 1147 L N 8.180 129.402 121.223 -0.001 0.000 2.312 1147 L HA 0.678 5.017 4.340 -0.000 0.000 0.281 1147 L C 0.582 177.441 176.870 -0.017 0.000 1.070 1147 L CA -0.093 54.743 54.840 -0.007 0.000 0.805 1147 L CB 0.560 42.614 42.059 -0.007 0.000 1.174 1147 L HN 0.667 nan 8.230 nan 0.000 0.434 1148 R N 0.474 120.957 120.500 -0.028 0.000 2.836 1148 R HA 0.414 4.754 4.340 -0.000 0.000 0.269 1148 R C 0.402 176.656 176.300 -0.076 0.000 1.010 1148 R CA -0.341 55.731 56.100 -0.046 0.000 0.930 1148 R CB 1.244 31.517 30.300 -0.045 0.000 1.218 1148 R HN 0.601 nan 8.270 nan 0.000 0.473 1149 S N -0.484 115.159 115.700 -0.094 0.000 2.402 1149 S HA -0.181 4.288 4.470 -0.000 0.000 0.229 1149 S C 0.339 174.762 174.600 -0.296 0.000 1.021 1149 S CA 1.123 59.246 58.200 -0.128 0.000 0.974 1149 S CB -0.486 62.659 63.200 -0.091 0.000 0.800 1149 S HN 0.736 nan 8.310 nan 0.000 0.484 1150 E N -0.251 119.748 120.200 -0.334 0.000 2.283 1150 E HA 0.656 5.006 4.350 -0.000 0.000 0.258 1150 E C -0.174 176.273 176.600 -0.255 0.000 0.893 1150 E CA -0.436 55.638 56.400 -0.543 0.000 0.798 1150 E CB 1.164 30.478 29.700 -0.644 0.000 1.242 1150 E HN 0.527 nan 8.360 nan 0.000 0.414 1151 G N 1.591 110.283 108.800 -0.181 0.000 2.428 1151 G HA2 0.080 4.040 3.960 -0.000 0.000 0.681 1151 G HA3 0.080 4.040 3.960 -0.000 0.000 0.681 1151 G C -0.469 174.403 174.900 -0.046 0.000 1.340 1151 G CA -0.596 44.454 45.100 -0.083 0.000 0.915 1151 G HN 0.549 nan 8.290 nan 0.000 0.645 1152 S N 1.750 117.440 115.700 -0.018 0.000 2.584 1152 S HA 0.538 5.007 4.470 -0.000 0.000 0.270 1152 S C -1.955 172.650 174.600 0.009 0.000 1.346 1152 S CA -0.414 57.784 58.200 -0.004 0.000 1.018 1152 S CB 0.911 64.108 63.200 -0.005 0.000 0.899 1152 S HN 0.614 nan 8.310 nan 0.000 0.542 1153 P HA 0.149 nan 4.420 nan 0.000 0.266 1153 P C -1.060 176.269 177.300 0.049 0.000 1.195 1153 P CA 0.111 63.228 63.100 0.028 0.000 0.768 1153 P CB 0.255 31.976 31.700 0.035 0.000 0.838 1154 L N 2.657 123.911 121.223 0.053 0.000 2.282 1154 L HA 0.382 4.722 4.340 -0.000 0.000 0.288 1154 L C -0.181 176.726 176.870 0.063 0.000 1.033 1154 L CA -0.974 53.909 54.840 0.073 0.000 0.807 1154 L CB 1.508 43.609 42.059 0.070 0.000 1.209 1154 L HN 0.058 nan 8.230 nan 0.000 0.423 1155 V N 4.505 124.467 119.914 0.080 0.000 2.364 1155 V HA 0.260 4.379 4.120 -0.000 0.000 0.272 1155 V C 0.101 176.222 176.094 0.045 0.000 1.036 1155 V CA -0.529 61.811 62.300 0.068 0.000 0.880 1155 V CB 1.652 33.538 31.823 0.106 0.000 0.991 1155 V HN 0.419 nan 8.190 nan 0.000 0.460 1156 V N 7.487 127.414 119.914 0.022 0.000 2.370 1156 V HA 0.539 4.659 4.120 -0.000 0.000 0.279 1156 V C -0.118 175.976 176.094 -0.000 0.000 1.029 1156 V CA -0.360 61.945 62.300 0.009 0.000 0.870 1156 V CB 1.235 33.059 31.823 0.002 0.000 0.984 1156 V HN 0.642 nan 8.190 nan 0.000 0.451 1157 L N 5.909 127.132 121.223 0.000 0.000 2.333 1157 L HA 0.626 4.966 4.340 -0.000 0.000 0.263 1157 L C -2.643 174.234 176.870 0.013 0.000 1.014 1157 L CA -2.299 52.536 54.840 -0.009 0.000 0.820 1157 L CB 2.504 44.545 42.059 -0.029 0.000 1.352 1157 L HN 0.350 nan 8.230 nan 0.000 0.421 1158 P HA -0.054 nan 4.420 nan 0.000 0.265 1158 P C -1.277 176.059 177.300 0.060 0.000 1.193 1158 P CA 0.066 63.188 63.100 0.037 0.000 0.765 1158 P CB 0.137 31.842 31.700 0.008 0.000 0.823 1159 Y N 4.092 124.387 120.300 -0.008 0.000 2.402 1159 Y HA 0.188 4.738 4.550 -0.000 0.000 0.333 1159 Y C 0.123 176.009 175.900 -0.023 0.000 1.076 1159 Y CA -0.036 58.064 58.100 -0.000 0.000 1.299 1159 Y CB 0.302 38.842 38.460 0.132 0.000 1.197 1159 Y HN 0.237 nan 8.280 nan 0.000 0.517 1160 M N 7.657 126.832 119.600 -0.708 0.000 2.069 1160 M HA 0.141 4.621 4.480 -0.000 0.000 0.349 1160 M C 1.106 176.878 176.300 -0.880 0.000 1.194 1160 M CA -0.272 54.670 55.300 -0.595 0.000 1.081 1160 M CB 1.163 33.536 32.600 -0.378 0.000 1.500 1160 M HN 0.800 nan 8.290 nan 0.000 0.438 1161 K N 2.798 122.808 120.400 -0.651 0.000 2.152 1161 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 1161 K C 0.621 176.905 176.600 -0.527 0.000 1.048 1161 K CA 1.888 57.841 56.287 -0.557 0.000 0.933 1161 K CB 0.118 32.304 32.500 -0.524 0.000 0.721 1161 K HN 0.690 nan 8.250 nan 0.000 0.447 1162 H N -0.519 118.394 119.070 -0.262 0.000 2.517 1162 H HA 0.283 4.838 4.556 -0.000 0.000 0.282 1162 H C 0.797 176.088 175.328 -0.061 0.000 1.023 1162 H CA 0.021 56.006 56.048 -0.105 0.000 1.169 1162 H CB 0.723 30.342 29.762 -0.238 0.000 1.454 1162 H HN 0.521 nan 8.280 nan 0.000 0.556 1163 G N 1.523 110.256 108.800 -0.112 0.000 2.575 1163 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.267 1163 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.267 1163 G C -0.319 174.541 174.900 -0.068 0.000 1.264 1163 G CA -0.090 44.956 45.100 -0.091 0.000 0.935 1163 G HN 0.551 nan 8.290 nan 0.000 0.568 1164 D N 0.227 120.613 120.400 -0.023 0.000 2.304 1164 D HA 0.297 4.937 4.640 -0.000 0.000 0.247 1164 D C 1.646 177.960 176.300 0.023 0.000 1.089 1164 D CA -0.527 53.461 54.000 -0.019 0.000 0.910 1164 D CB 1.623 42.425 40.800 0.003 0.000 1.199 1164 D HN 0.349 nan 8.370 nan 0.000 0.426 1165 L N 1.903 123.108 121.223 -0.031 0.000 2.129 1165 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 1165 L C 2.611 179.540 176.870 0.097 0.000 1.087 1165 L CA 1.647 56.464 54.840 -0.038 0.000 0.757 1165 L CB -0.831 41.175 42.059 -0.088 0.000 0.896 1165 L HN 0.564 nan 8.230 nan 0.000 0.434 1166 R N -0.927 119.629 120.500 0.094 0.000 2.062 1166 R HA -0.127 4.213 4.340 -0.000 0.000 0.231 1166 R C 2.048 178.428 176.300 0.133 0.000 1.136 1166 R CA 1.444 57.613 56.100 0.115 0.000 0.948 1166 R CB -0.149 30.207 30.300 0.094 0.000 0.845 1166 R HN 0.452 nan 8.270 nan 0.000 0.430 1167 N N 0.236 119.015 118.700 0.132 0.000 2.188 1167 N HA -0.185 4.555 4.740 -0.000 0.000 0.184 1167 N C 1.585 177.196 175.510 0.169 0.000 1.018 1167 N CA 1.040 54.167 53.050 0.128 0.000 0.858 1167 N CB -0.358 38.196 38.487 0.112 0.000 0.989 1167 N HN 0.156 nan 8.380 nan 0.000 0.426 1168 F N 2.630 122.640 119.950 0.099 0.000 2.069 1168 F HA -0.164 4.362 4.527 -0.000 0.000 0.298 1168 F C 2.253 178.201 175.800 0.248 0.000 1.113 1168 F CA 1.433 59.548 58.000 0.192 0.000 1.214 1168 F CB -0.322 38.706 39.000 0.046 0.000 0.978 1168 F HN 0.001 nan 8.300 nan 0.000 0.474 1169 I N -1.656 119.091 120.570 0.296 0.000 2.676 1169 I HA -0.074 4.096 4.170 -0.000 0.000 0.259 1169 I C 2.134 178.295 176.117 0.073 0.000 1.194 1169 I CA 1.020 62.443 61.300 0.206 0.000 1.473 1169 I CB -0.603 37.554 38.000 0.263 0.000 1.096 1169 I HN 0.065 nan 8.210 nan 0.000 0.443 1170 R N 1.386 121.921 120.500 0.058 0.000 2.193 1170 R HA 0.048 4.387 4.340 -0.000 0.000 0.213 1170 R C 0.745 177.020 176.300 -0.041 0.000 1.055 1170 R CA 0.057 56.169 56.100 0.020 0.000 0.995 1170 R CB -0.361 29.966 30.300 0.045 0.000 0.893 1170 R HN 0.384 nan 8.270 nan 0.000 0.459 1171 N N 1.943 120.577 118.700 -0.110 0.000 2.427 1171 N HA -0.093 4.646 4.740 -0.000 0.000 0.269 1171 N C 0.368 175.739 175.510 -0.232 0.000 1.235 1171 N CA 0.475 53.373 53.050 -0.253 0.000 0.934 1171 N CB 1.250 39.391 38.487 -0.577 0.000 1.121 1171 N HN 0.048 nan 8.380 nan 0.000 0.480 1172 E N 1.360 121.466 120.200 -0.157 0.000 2.153 1172 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 1172 E C 1.579 178.113 176.600 -0.111 0.000 0.988 1172 E CA 1.646 57.983 56.400 -0.104 0.000 0.811 1172 E CB 0.106 29.764 29.700 -0.069 0.000 0.746 1172 E HN 0.828 nan 8.360 nan 0.000 0.466 1173 T N -1.913 112.538 114.554 -0.171 0.000 2.995 1173 T HA -0.143 4.207 4.350 -0.000 0.000 0.269 1173 T C 1.457 176.132 174.700 -0.042 0.000 1.091 1173 T CA 1.009 63.039 62.100 -0.117 0.000 1.128 1173 T CB -0.219 68.572 68.868 -0.128 0.000 0.891 1173 T HN 0.160 nan 8.240 nan 0.000 0.492 1174 H N 1.620 120.597 119.070 -0.155 0.000 2.333 1174 H HA 0.177 4.733 4.556 -0.000 0.000 0.302 1174 H C 1.549 176.800 175.328 -0.127 0.000 1.075 1174 H CA 0.861 56.782 56.048 -0.211 0.000 1.348 1174 H CB -0.994 28.461 29.762 -0.511 0.000 1.393 1174 H HN 0.474 nan 8.280 nan 0.000 0.509 1175 N N 0.905 119.614 118.700 0.016 0.000 2.686 1175 N HA -0.115 4.625 4.740 -0.000 0.000 0.261 1175 N C -2.532 172.972 175.510 -0.010 0.000 1.001 1175 N CA 0.101 53.142 53.050 -0.015 0.000 0.764 1175 N CB -0.517 37.949 38.487 -0.034 0.000 0.898 1175 N HN 0.244 nan 8.380 nan 0.000 0.544 1176 P HA 0.047 nan 4.420 nan 0.000 0.265 1176 P C 0.318 177.588 177.300 -0.050 0.000 1.193 1176 P CA 0.015 63.137 63.100 0.037 0.000 0.765 1176 P CB 0.577 32.392 31.700 0.192 0.000 0.823 1177 T N -0.941 113.554 114.554 -0.099 0.000 2.754 1177 T HA 0.104 4.454 4.350 -0.000 0.000 0.286 1177 T C 1.514 176.107 174.700 -0.180 0.000 0.997 1177 T CA -0.648 61.369 62.100 -0.138 0.000 0.982 1177 T CB 0.049 68.842 68.868 -0.126 0.000 1.027 1177 T HN 0.070 nan 8.240 nan 0.000 0.529 1178 V N 1.227 121.018 119.914 -0.204 0.000 2.287 1178 V HA -0.156 3.963 4.120 -0.000 0.000 0.248 1178 V C 2.900 178.713 176.094 -0.467 0.000 1.053 1178 V CA 2.286 64.417 62.300 -0.282 0.000 1.027 1178 V CB -0.958 30.724 31.823 -0.236 0.000 0.646 1178 V HN 0.998 nan 8.190 nan 0.000 0.447 1179 K N -0.182 119.900 120.400 -0.530 0.000 2.032 1179 K HA -0.258 4.062 4.320 -0.000 0.000 0.209 1179 K C 1.891 178.340 176.600 -0.252 0.000 1.048 1179 K CA 2.105 58.098 56.287 -0.490 0.000 0.927 1179 K CB -0.314 32.010 32.500 -0.293 0.000 0.712 1179 K HN 0.473 nan 8.250 nan 0.000 0.441 1180 D N 1.003 121.223 120.400 -0.300 0.000 2.092 1180 D HA -0.196 4.444 4.640 -0.000 0.000 0.193 1180 D C 2.085 177.924 176.300 -0.769 0.000 0.994 1180 D CA 1.288 54.977 54.000 -0.518 0.000 0.828 1180 D CB -0.366 40.188 40.800 -0.410 0.000 0.963 1180 D HN 0.236 nan 8.370 nan 0.000 0.450 1181 L N 0.447 121.427 121.223 -0.405 0.000 2.042 1181 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 1181 L C 2.625 179.419 176.870 -0.127 0.000 1.076 1181 L CA 0.787 55.522 54.840 -0.175 0.000 0.749 1181 L CB -0.356 41.674 42.059 -0.049 0.000 0.893 1181 L HN 0.021 nan 8.230 nan 0.000 0.432 1182 I N -0.282 120.196 120.570 -0.153 0.000 2.226 1182 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 1182 I C 2.673 178.766 176.117 -0.041 0.000 1.100 1182 I CA 1.299 62.572 61.300 -0.046 0.000 1.374 1182 I CB -0.929 37.045 38.000 -0.044 0.000 1.057 1182 I HN 0.285 nan 8.210 nan 0.000 0.413 1183 G N 1.329 110.053 108.800 -0.127 0.000 2.514 1183 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 1183 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 1183 G C 1.421 176.213 174.900 -0.180 0.000 1.198 1183 G CA 0.839 45.707 45.100 -0.387 0.000 0.780 1183 G HN 0.182 nan 8.290 nan 0.000 0.565 1184 F N 1.780 121.687 119.950 -0.072 0.000 2.091 1184 F HA -0.055 4.472 4.527 -0.000 0.000 0.299 1184 F C 2.957 178.756 175.800 -0.002 0.000 1.103 1184 F CA 0.599 58.573 58.000 -0.043 0.000 1.228 1184 F CB -1.291 37.697 39.000 -0.021 0.000 0.984 1184 F HN 0.195 nan 8.300 nan 0.000 0.477 1185 G N -0.014 108.907 108.800 0.203 0.000 2.440 1185 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 1185 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 1185 G C 1.729 176.791 174.900 0.269 0.000 1.154 1185 G CA 0.990 46.204 45.100 0.190 0.000 0.767 1185 G HN 0.354 nan 8.290 nan 0.000 0.552 1186 L N 0.389 121.685 121.223 0.122 0.000 2.046 1186 L HA -0.042 4.298 4.340 -0.000 0.000 0.208 1186 L C 2.836 179.732 176.870 0.043 0.000 1.077 1186 L CA 1.936 56.812 54.840 0.059 0.000 0.747 1186 L CB -0.655 41.331 42.059 -0.121 0.000 0.896 1186 L HN 0.314 nan 8.230 nan 0.000 0.432 1187 Q N -1.117 118.705 119.800 0.037 0.000 2.084 1187 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 1187 Q C 2.177 178.212 176.000 0.059 0.000 0.978 1187 Q CA 1.934 57.765 55.803 0.047 0.000 0.844 1187 Q CB -0.266 28.513 28.738 0.069 0.000 0.898 1187 Q HN 0.496 nan 8.270 nan 0.000 0.426 1188 V N 0.978 120.968 119.914 0.126 0.000 2.295 1188 V HA -0.274 3.845 4.120 -0.000 0.000 0.246 1188 V C 2.327 178.418 176.094 -0.005 0.000 1.049 1188 V CA 1.829 64.210 62.300 0.134 0.000 1.024 1188 V CB -1.035 30.975 31.823 0.311 0.000 0.648 1188 V HN 0.377 nan 8.190 nan 0.000 0.447 1189 A N -0.479 122.347 122.820 0.011 0.000 1.978 1189 A HA -0.260 4.060 4.320 -0.000 0.000 0.220 1189 A C 2.307 179.731 177.584 -0.266 0.000 1.170 1189 A CA 2.066 53.900 52.037 -0.339 0.000 0.636 1189 A CB -0.435 18.425 19.000 -0.233 0.000 0.810 1189 A HN 0.557 nan 8.150 nan 0.000 0.448 1190 K N -1.069 119.250 120.400 -0.136 0.000 2.057 1190 K HA -0.058 4.262 4.320 -0.000 0.000 0.206 1190 K C 2.123 178.533 176.600 -0.317 0.000 1.050 1190 K CA 1.011 57.229 56.287 -0.114 0.000 0.935 1190 K CB -0.370 32.149 32.500 0.033 0.000 0.715 1190 K HN 0.463 nan 8.250 nan 0.000 0.439 1191 G N 0.656 109.261 108.800 -0.325 0.000 2.421 1191 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.217 1191 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.217 1191 G C 1.409 176.035 174.900 -0.457 0.000 1.143 1191 G CA 0.384 45.208 45.100 -0.460 0.000 0.784 1191 G HN 0.057 nan 8.290 nan 0.000 0.541 1192 M N 0.470 119.729 119.600 -0.569 0.000 2.200 1192 M HA 0.107 4.587 4.480 -0.000 0.000 0.265 1192 M C 2.251 178.075 176.300 -0.794 0.000 1.066 1192 M CA 0.866 55.606 55.300 -0.933 0.000 1.127 1192 M CB -0.842 30.645 32.600 -1.854 0.000 1.379 1192 M HN 0.258 nan 8.290 nan 0.000 0.420 1193 K N -0.554 119.540 120.400 -0.511 0.000 2.032 1193 K HA -0.245 4.075 4.320 -0.000 0.000 0.209 1193 K C 2.165 178.660 176.600 -0.174 0.000 1.048 1193 K CA 1.659 57.842 56.287 -0.174 0.000 0.927 1193 K CB -0.345 32.105 32.500 -0.083 0.000 0.712 1193 K HN 0.261 nan 8.250 nan 0.000 0.441 1194 Y N 1.461 121.524 120.300 -0.395 0.000 2.114 1194 Y HA -0.220 4.330 4.550 -0.000 0.000 0.284 1194 Y C 1.895 177.587 175.900 -0.348 0.000 1.143 1194 Y CA 1.662 59.539 58.100 -0.372 0.000 1.135 1194 Y CB -0.264 37.834 38.460 -0.604 0.000 0.980 1194 Y HN 0.008 nan 8.280 nan 0.000 0.499 1195 L N -0.186 120.839 121.223 -0.330 0.000 2.012 1195 L HA -0.267 4.073 4.340 -0.000 0.000 0.210 1195 L C 2.833 179.567 176.870 -0.226 0.000 1.073 1195 L CA 1.244 55.846 54.840 -0.395 0.000 0.748 1195 L CB -1.121 40.754 42.059 -0.306 0.000 0.891 1195 L HN 0.384 nan 8.230 nan 0.000 0.431 1196 A N 0.163 122.896 122.820 -0.145 0.000 1.917 1196 A HA -0.286 4.034 4.320 -0.000 0.000 0.219 1196 A C 2.528 180.074 177.584 -0.063 0.000 1.182 1196 A CA 2.337 54.366 52.037 -0.013 0.000 0.633 1196 A CB -0.860 18.221 19.000 0.136 0.000 0.819 1196 A HN 0.542 nan 8.150 nan 0.000 0.448 1197 S N -0.649 114.960 115.700 -0.152 0.000 2.419 1197 S HA -0.108 4.362 4.470 -0.000 0.000 0.233 1197 S C 1.509 175.999 174.600 -0.184 0.000 1.016 1197 S CA 1.352 59.454 58.200 -0.163 0.000 0.974 1197 S CB -0.217 62.862 63.200 -0.201 0.000 0.786 1197 S HN 0.472 nan 8.310 nan 0.000 0.492 1198 K N 1.000 121.246 120.400 -0.255 0.000 2.444 1198 K HA 0.181 4.500 4.320 -0.000 0.000 0.193 1198 K C 0.118 176.740 176.600 0.038 0.000 1.024 1198 K CA 0.058 56.271 56.287 -0.124 0.000 1.077 1198 K CB -0.018 32.388 32.500 -0.157 0.000 0.833 1198 K HN 0.358 nan 8.250 nan 0.000 0.517 1199 K N 0.121 120.533 120.400 0.020 0.000 3.230 1199 K HA -0.202 4.117 4.320 -0.000 0.000 0.285 1199 K C -0.381 176.295 176.600 0.127 0.000 1.196 1199 K CA 0.455 56.780 56.287 0.063 0.000 0.838 1199 K CB -2.224 30.310 32.500 0.058 0.000 1.262 1199 K HN 0.156 nan 8.250 nan 0.000 0.492 1200 F N 1.198 121.131 119.950 -0.027 0.000 2.391 1200 F HA 0.290 4.817 4.527 -0.000 0.000 0.359 1200 F C 0.375 176.168 175.800 -0.011 0.000 1.122 1200 F CA -0.782 57.218 58.000 0.000 0.000 1.120 1200 F CB 0.946 39.934 39.000 -0.020 0.000 1.142 1200 F HN -0.164 nan 8.300 nan 0.000 0.483 1201 V N 7.545 127.129 119.914 -0.549 0.000 2.406 1201 V HA 0.065 4.185 4.120 -0.000 0.000 0.272 1201 V C 0.896 176.650 176.094 -0.566 0.000 1.043 1201 V CA -0.121 61.976 62.300 -0.338 0.000 0.915 1201 V CB 1.017 32.751 31.823 -0.149 0.000 0.988 1201 V HN 0.948 nan 8.190 nan 0.000 0.466 1202 H N 4.632 123.553 119.070 -0.249 0.000 2.284 1202 H HA 0.013 4.569 4.556 -0.000 0.000 0.304 1202 H C 1.648 176.927 175.328 -0.082 0.000 1.069 1202 H CA 2.140 58.130 56.048 -0.097 0.000 1.327 1202 H CB 0.165 29.966 29.762 0.065 0.000 1.387 1202 H HN 0.692 nan 8.280 nan 0.000 0.498 1203 R N -1.820 118.780 120.500 0.166 0.000 3.426 1203 R HA -0.171 4.169 4.340 -0.000 0.000 0.478 1203 R C -0.532 175.857 176.300 0.148 0.000 0.673 1203 R CA 1.155 57.220 56.100 -0.059 0.000 1.455 1203 R CB -1.620 28.338 30.300 -0.569 0.000 2.122 1203 R HN 0.431 nan 8.270 nan 0.000 0.418 1204 D N 0.189 120.855 120.400 0.443 0.000 3.007 1204 D HA 0.154 4.794 4.640 -0.000 0.000 0.363 1204 D C -1.155 175.260 176.300 0.192 0.000 1.474 1204 D CA -0.406 53.801 54.000 0.345 0.000 0.767 1204 D CB 0.389 41.386 40.800 0.329 0.000 1.227 1204 D HN 0.050 nan 8.370 nan 0.000 0.471 1205 L N 1.588 122.827 121.223 0.027 0.000 2.410 1205 L HA 0.665 5.005 4.340 -0.000 0.000 0.273 1205 L C -0.448 176.436 176.870 0.024 0.000 1.144 1205 L CA 0.383 55.125 54.840 -0.164 0.000 0.863 1205 L CB 0.553 42.599 42.059 -0.020 0.000 1.140 1205 L HN 0.229 nan 8.230 nan 0.000 0.463 1206 A N 3.786 126.587 122.820 -0.031 0.000 2.583 1206 A HA 0.658 4.978 4.320 -0.000 0.000 0.292 1206 A C 0.385 177.986 177.584 0.029 0.000 1.045 1206 A CA -0.154 51.853 52.037 -0.049 0.000 0.672 1206 A CB 0.213 18.834 19.000 -0.631 0.000 1.283 1206 A HN 1.062 nan 8.150 nan 0.000 0.419 1207 A N 0.780 123.671 122.820 0.118 0.000 1.940 1207 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 1207 A C 1.905 179.515 177.584 0.042 0.000 1.176 1207 A CA 2.025 54.117 52.037 0.092 0.000 0.631 1207 A CB -0.625 18.458 19.000 0.137 0.000 0.814 1207 A HN 1.176 nan 8.150 nan 0.000 0.446 1208 R N -1.022 119.481 120.500 0.005 0.000 2.293 1208 R HA -0.023 4.316 4.340 -0.000 0.000 0.219 1208 R C 0.157 176.482 176.300 0.042 0.000 1.091 1208 R CA 1.545 57.656 56.100 0.018 0.000 1.004 1208 R CB -0.355 29.941 30.300 -0.006 0.000 0.865 1208 R HN 0.328 nan 8.270 nan 0.000 0.469 1209 N N -0.216 118.509 118.700 0.042 0.000 2.235 1209 N HA 0.150 4.889 4.740 -0.000 0.000 0.231 1209 N C -1.229 174.336 175.510 0.092 0.000 1.177 1209 N CA -0.208 52.903 53.050 0.101 0.000 0.874 1209 N CB 0.937 39.518 38.487 0.157 0.000 1.097 1209 N HN 0.122 nan 8.380 nan 0.000 0.518 1210 C N 1.575 120.899 119.300 0.040 0.000 2.408 1210 C HA 0.585 5.044 4.460 -0.000 0.000 0.321 1210 C C -0.043 174.923 174.990 -0.041 0.000 1.245 1210 C CA -0.923 58.106 59.018 0.018 0.000 1.523 1210 C CB 0.738 28.485 27.740 0.012 0.000 2.178 1210 C HN 0.165 nan 8.230 nan 0.000 0.488 1211 M N 3.131 122.694 119.600 -0.062 0.000 2.598 1211 M HA 0.580 5.060 4.480 -0.000 0.000 0.317 1211 M C -0.642 175.547 176.300 -0.184 0.000 1.201 1211 M CA -0.698 54.529 55.300 -0.122 0.000 0.971 1211 M CB 1.161 33.687 32.600 -0.123 0.000 1.657 1211 M HN 0.499 nan 8.290 nan 0.000 0.470 1212 L N 2.635 123.713 121.223 -0.242 0.000 2.319 1212 L HA 0.284 4.624 4.340 -0.000 0.000 0.281 1212 L C -0.304 176.423 176.870 -0.239 0.000 1.005 1212 L CA -0.695 53.956 54.840 -0.316 0.000 0.828 1212 L CB 1.519 43.240 42.059 -0.562 0.000 1.227 1212 L HN 0.749 nan 8.230 nan 0.000 0.415 1213 D N 2.543 122.819 120.400 -0.207 0.000 2.398 1213 D HA -0.036 4.604 4.640 -0.000 0.000 0.264 1213 D C 1.024 177.192 176.300 -0.220 0.000 1.263 1213 D CA -0.330 53.549 54.000 -0.201 0.000 1.037 1213 D CB 0.506 41.221 40.800 -0.142 0.000 1.101 1213 D HN 0.528 nan 8.370 nan 0.000 0.551 1214 E N 0.279 120.337 120.200 -0.236 0.000 2.204 1214 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 1214 E C 0.897 177.371 176.600 -0.210 0.000 0.989 1214 E CA 1.122 57.367 56.400 -0.258 0.000 0.824 1214 E CB -0.356 29.239 29.700 -0.176 0.000 0.756 1214 E HN 0.594 nan 8.360 nan 0.000 0.477 1215 K N 0.040 120.374 120.400 -0.110 0.000 2.487 1215 K HA 0.066 4.386 4.320 -0.000 0.000 0.192 1215 K C -0.238 176.471 176.600 0.182 0.000 1.027 1215 K CA 0.177 56.495 56.287 0.051 0.000 1.054 1215 K CB -0.310 32.216 32.500 0.044 0.000 0.824 1215 K HN 0.026 nan 8.250 nan 0.000 0.510 1216 F N 0.485 120.420 119.950 -0.024 0.000 3.074 1216 F HA -0.232 4.294 4.527 -0.000 0.000 0.289 1216 F C -0.083 175.672 175.800 -0.076 0.000 0.863 1216 F CA 0.430 58.353 58.000 -0.129 0.000 1.121 1216 F CB -2.689 36.243 39.000 -0.113 0.000 1.169 1216 F HN -0.120 nan 8.300 nan 0.000 0.570 1217 T N 1.050 115.615 114.554 0.018 0.000 2.817 1217 T HA 0.518 4.868 4.350 -0.000 0.000 0.293 1217 T C 0.463 175.125 174.700 -0.063 0.000 0.964 1217 T CA -0.501 61.600 62.100 0.000 0.000 1.085 1217 T CB 1.623 70.484 68.868 -0.012 0.000 0.921 1217 T HN 0.022 nan 8.240 nan 0.000 0.502 1218 V N 5.722 125.609 119.914 -0.044 0.000 2.488 1218 V HA 0.237 4.357 4.120 -0.000 0.000 0.277 1218 V C 0.365 176.439 176.094 -0.033 0.000 1.046 1218 V CA -0.340 61.911 62.300 -0.081 0.000 0.986 1218 V CB 0.556 32.352 31.823 -0.044 0.000 0.989 1218 V HN 0.676 nan 8.190 nan 0.000 0.475 1219 K N 4.441 124.818 120.400 -0.039 0.000 2.339 1219 K HA 0.439 4.759 4.320 -0.000 0.000 0.264 1219 K C -0.774 175.861 176.600 0.058 0.000 0.986 1219 K CA -0.714 55.582 56.287 0.015 0.000 0.866 1219 K CB 1.978 34.483 32.500 0.009 0.000 1.103 1219 K HN 0.397 nan 8.250 nan 0.000 0.441 1220 V N 2.764 122.731 119.914 0.089 0.000 2.493 1220 V HA 0.128 4.248 4.120 -0.000 0.000 0.292 1220 V C 0.696 177.012 176.094 0.369 0.000 1.016 1220 V CA 0.381 62.772 62.300 0.152 0.000 1.097 1220 V CB 0.304 32.160 31.823 0.055 0.000 0.947 1220 V HN 0.962 nan 8.190 nan 0.000 0.479 1221 A N 3.687 126.751 122.820 0.407 0.000 2.973 1221 A HA 0.689 5.008 4.320 -0.000 0.000 0.267 1221 A C 0.403 178.310 177.584 0.538 0.000 1.210 1221 A CA 0.051 52.338 52.037 0.416 0.000 0.749 1221 A CB 0.231 19.318 19.000 0.145 0.000 1.373 1221 A HN 0.744 nan 8.150 nan 0.000 0.585 1222 D N -1.574 119.001 120.400 0.292 0.000 2.686 1222 D HA -0.156 4.484 4.640 -0.000 0.000 0.235 1222 D C -0.418 176.065 176.300 0.306 0.000 1.160 1222 D CA 1.732 55.932 54.000 0.332 0.000 0.645 1222 D CB -1.561 39.484 40.800 0.408 0.000 1.039 1222 D HN 0.985 nan 8.370 nan 0.000 0.423 1223 F N -2.910 117.100 119.950 0.100 0.000 2.629 1223 F HA 0.739 5.266 4.527 -0.000 0.000 0.316 1223 F C 1.263 177.103 175.800 0.067 0.000 1.081 1223 F CA 0.062 58.069 58.000 0.012 0.000 0.954 1223 F CB 1.187 40.155 39.000 -0.053 0.000 1.337 1223 F HN 0.123 nan 8.300 nan 0.000 0.474 1224 G N 1.315 110.209 108.800 0.156 0.000 2.561 1224 G HA2 -0.318 3.641 3.960 -0.000 0.000 0.289 1224 G HA3 -0.318 3.641 3.960 -0.000 0.000 0.289 1224 G C 0.457 175.180 174.900 -0.296 0.000 1.169 1224 G CA 0.393 45.438 45.100 -0.091 0.000 0.980 1224 G HN 0.982 nan 8.290 nan 0.000 0.550 1225 L N 1.394 122.441 121.223 -0.293 0.000 2.395 1225 L HA 0.285 4.625 4.340 -0.000 0.000 0.218 1225 L C 3.199 180.183 176.870 0.190 0.000 1.130 1225 L CA 1.336 56.073 54.840 -0.171 0.000 0.826 1225 L CB -0.423 41.582 42.059 -0.090 0.000 0.941 1225 L HN 0.696 nan 8.230 nan 0.000 0.451 1226 A N -0.597 122.253 122.820 0.049 0.000 2.123 1226 A HA -0.042 4.278 4.320 -0.000 0.000 0.214 1226 A C 1.371 179.160 177.584 0.343 0.000 1.152 1226 A CA -0.029 52.102 52.037 0.157 0.000 0.728 1226 A CB -0.201 18.783 19.000 -0.028 0.000 0.814 1226 A HN 0.177 nan 8.150 nan 0.000 0.464 1227 R N 1.202 121.894 120.500 0.320 0.000 2.494 1227 R HA 0.086 4.426 4.340 -0.000 0.000 0.291 1227 R C -1.238 175.297 176.300 0.391 0.000 0.953 1227 R CA 0.918 57.230 56.100 0.355 0.000 1.098 1227 R CB -0.084 30.401 30.300 0.308 0.000 0.911 1227 R HN 0.433 nan 8.270 nan 0.000 0.407 1228 D N 2.738 123.180 120.400 0.069 0.000 2.764 1228 D HA 0.130 4.770 4.640 -0.000 0.000 0.293 1228 D C -1.169 174.731 176.300 -0.667 0.000 1.287 1228 D CA -0.529 53.228 54.000 -0.405 0.000 0.768 1228 D CB 0.959 41.292 40.800 -0.778 0.000 1.288 1228 D HN 0.387 nan 8.370 nan 0.000 0.426 1229 M N 2.435 121.546 119.600 -0.815 0.000 2.111 1229 M HA 0.257 4.737 4.480 -0.000 0.000 0.351 1229 M C -0.261 175.727 176.300 -0.520 0.000 1.214 1229 M CA -0.334 54.505 55.300 -0.769 0.000 1.120 1229 M CB 0.833 32.805 32.600 -1.047 0.000 1.443 1229 M HN 0.339 nan 8.290 nan 0.000 0.429 1230 Y N -0.652 119.635 120.300 -0.022 0.000 2.500 1230 Y HA 0.146 4.696 4.550 -0.000 0.000 0.270 1230 Y C 0.660 176.607 175.900 0.078 0.000 1.134 1230 Y CA -0.001 58.110 58.100 0.019 0.000 1.293 1230 Y CB 0.463 38.941 38.460 0.030 0.000 1.063 1230 Y HN 0.467 nan 8.280 nan 0.000 0.534 1231 D N 0.339 120.909 120.400 0.284 0.000 2.389 1231 D HA 0.096 4.736 4.640 -0.000 0.000 0.256 1231 D C 0.647 177.133 176.300 0.311 0.000 1.239 1231 D CA -0.221 53.947 54.000 0.281 0.000 0.925 1231 D CB 0.774 41.791 40.800 0.362 0.000 1.145 1231 D HN 0.274 nan 8.370 nan 0.000 0.542 1232 K N 2.295 122.785 120.400 0.151 0.000 2.362 1232 K HA -0.132 4.187 4.320 -0.000 0.000 0.200 1232 K C 1.185 177.814 176.600 0.047 0.000 1.046 1232 K CA 0.782 57.138 56.287 0.115 0.000 0.952 1232 K CB 0.255 32.755 32.500 -0.001 0.000 0.753 1232 K HN 0.318 nan 8.250 nan 0.000 0.466 1233 E N 0.168 120.308 120.200 -0.099 0.000 2.267 1233 E HA -0.178 4.171 4.350 -0.000 0.000 0.197 1233 E C 0.278 176.550 176.600 -0.547 0.000 0.998 1233 E CA 0.992 57.151 56.400 -0.401 0.000 0.830 1233 E CB 0.029 29.330 29.700 -0.664 0.000 0.751 1233 E HN 0.534 nan 8.360 nan 0.000 0.491 1234 Y N -1.619 118.695 120.300 0.024 0.000 2.584 1234 Y HA 0.230 4.780 4.550 -0.000 0.000 0.254 1234 Y C -0.806 174.841 175.900 -0.422 0.000 1.177 1234 Y CA -0.353 57.665 58.100 -0.135 0.000 1.216 1234 Y CB 0.400 38.728 38.460 -0.220 0.000 1.172 1234 Y HN -0.068 nan 8.280 nan 0.000 0.529 1235 Y N -0.645 119.690 120.300 0.059 0.000 2.393 1235 Y HA 0.573 5.123 4.550 -0.000 0.000 0.341 1235 Y C 0.199 176.064 175.900 -0.058 0.000 0.988 1235 Y CA -1.202 56.905 58.100 0.011 0.000 1.078 1235 Y CB 2.107 40.540 38.460 -0.046 0.000 1.203 1235 Y HN -0.229 nan 8.280 nan 0.000 0.453 1236 S N 1.264 117.001 115.700 0.061 0.000 2.538 1236 S HA 0.393 4.863 4.470 -0.000 0.000 0.288 1236 S C 0.270 174.822 174.600 -0.081 0.000 1.108 1236 S CA -0.682 57.462 58.200 -0.095 0.000 0.971 1236 S CB 1.236 64.352 63.200 -0.140 0.000 1.041 1236 S HN 0.720 nan 8.310 nan 0.000 0.483 1237 V N 2.279 122.086 119.914 -0.179 0.000 3.573 1237 V HA 0.291 4.411 4.120 -0.000 0.000 0.270 1237 V C 0.602 176.699 176.094 0.005 0.000 1.221 1237 V CA 0.830 63.080 62.300 -0.082 0.000 1.163 1237 V CB -1.527 30.253 31.823 -0.072 0.000 0.847 1237 V HN 0.914 nan 8.190 nan 0.000 0.468 1238 H N 3.293 122.340 119.070 -0.038 0.000 3.268 1238 H HA 0.376 4.931 4.556 -0.000 0.000 0.213 1238 H C 0.238 175.583 175.328 0.028 0.000 1.858 1238 H CA 0.212 56.248 56.048 -0.019 0.000 1.386 1238 H CB -0.401 29.242 29.762 -0.198 0.000 1.734 1238 H HN 0.891 nan 8.280 nan 0.000 0.612 1239 N N -1.622 117.167 118.700 0.147 0.000 2.934 1239 N HA 0.140 4.880 4.740 -0.000 0.000 0.253 1239 N C 0.146 175.701 175.510 0.076 0.000 1.466 1239 N CA -1.072 52.034 53.050 0.093 0.000 0.858 1239 N CB 1.341 39.872 38.487 0.073 0.000 1.459 1239 N HN -0.123 nan 8.380 nan 0.000 0.532 1240 K N -0.907 119.520 120.400 0.046 0.000 2.103 1240 K HA -0.154 4.166 4.320 -0.000 0.000 0.207 1240 K C 1.501 178.128 176.600 0.045 0.000 1.048 1240 K CA 2.126 58.435 56.287 0.036 0.000 0.930 1240 K CB -0.414 32.091 32.500 0.009 0.000 0.716 1240 K HN 0.804 nan 8.250 nan 0.000 0.444 1241 T N -2.647 111.941 114.554 0.056 0.000 2.915 1241 T HA -0.011 4.339 4.350 -0.000 0.000 0.269 1241 T C 1.638 176.374 174.700 0.060 0.000 1.071 1241 T CA 1.321 63.461 62.100 0.066 0.000 1.132 1241 T CB -0.115 68.810 68.868 0.095 0.000 0.878 1241 T HN 0.409 nan 8.240 nan 0.000 0.479 1242 G N 1.127 109.965 108.800 0.062 0.000 2.225 1242 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.254 1242 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.254 1242 G C 0.299 175.222 174.900 0.038 0.000 0.988 1242 G CA 0.059 45.192 45.100 0.055 0.000 0.625 1242 G HN 1.279 nan 8.290 nan 0.000 0.527 1243 A N 0.119 122.964 122.820 0.041 0.000 2.281 1243 A HA 0.714 5.034 4.320 -0.000 0.000 0.329 1243 A C 0.498 178.094 177.584 0.019 0.000 1.122 1243 A CA -0.446 51.601 52.037 0.016 0.000 0.850 1243 A CB 0.650 19.662 19.000 0.021 0.000 1.207 1243 A HN 0.186 nan 8.150 nan 0.000 0.495 1244 K N 0.958 121.342 120.400 -0.026 0.000 2.453 1244 K HA 0.204 4.524 4.320 -0.000 0.000 0.280 1244 K C -0.878 175.793 176.600 0.118 0.000 1.045 1244 K CA 0.859 57.149 56.287 0.004 0.000 1.059 1244 K CB -0.316 32.121 32.500 -0.105 0.000 0.901 1244 K HN 0.517 nan 8.250 nan 0.000 0.475 1245 L N 4.898 126.249 121.223 0.213 0.000 2.393 1245 L HA 0.329 4.669 4.340 -0.000 0.000 0.260 1245 L C -2.224 174.814 176.870 0.279 0.000 1.002 1245 L CA -2.163 52.860 54.840 0.305 0.000 0.818 1245 L CB 2.822 45.034 42.059 0.255 0.000 1.369 1245 L HN 0.347 nan 8.230 nan 0.000 0.412 1246 P HA 0.016 nan 4.420 nan 0.000 0.237 1246 P C 1.002 178.456 177.300 0.257 0.000 1.788 1246 P CA -0.175 62.930 63.100 0.008 0.000 1.061 1246 P CB 0.110 31.736 31.700 -0.123 0.000 1.967 1247 V N 0.823 120.851 119.914 0.190 0.000 2.392 1247 V HA -0.234 3.886 4.120 -0.000 0.000 0.249 1247 V C 1.784 177.951 176.094 0.121 0.000 1.059 1247 V CA 1.424 63.802 62.300 0.131 0.000 1.051 1247 V CB -1.369 30.490 31.823 0.059 0.000 0.658 1247 V HN 0.178 nan 8.190 nan 0.000 0.455 1248 K N -1.201 119.318 120.400 0.198 0.000 2.525 1248 K HA 0.019 4.339 4.320 -0.000 0.000 0.192 1248 K C 1.540 178.161 176.600 0.035 0.000 1.029 1248 K CA 0.899 57.219 56.287 0.055 0.000 1.029 1248 K CB -0.101 32.400 32.500 0.002 0.000 0.814 1248 K HN 0.682 nan 8.250 nan 0.000 0.503 1249 W N 0.165 121.553 121.300 0.147 0.000 2.998 1249 W HA 0.249 4.909 4.660 -0.000 0.000 0.336 1249 W C 0.270 176.944 176.519 0.259 0.000 1.112 1249 W CA -0.411 57.077 57.345 0.238 0.000 1.682 1249 W CB 0.373 29.942 29.460 0.182 0.000 1.065 1249 W HN -0.022 nan 8.180 nan 0.000 0.570 1250 M N 0.609 120.359 119.600 0.250 0.000 2.274 1250 M HA 0.367 4.846 4.480 -0.000 0.000 0.344 1250 M C 0.640 176.575 176.300 -0.608 0.000 1.161 1250 M CA -0.214 55.080 55.300 -0.010 0.000 1.126 1250 M CB 1.239 33.833 32.600 -0.011 0.000 1.522 1250 M HN -0.259 nan 8.290 nan 0.000 0.461 1251 A N 2.151 124.494 122.820 -0.795 0.000 2.498 1251 A HA 0.115 4.434 4.320 -0.000 0.000 0.239 1251 A C 0.894 177.857 177.584 -1.034 0.000 1.068 1251 A CA -0.438 50.737 52.037 -1.438 0.000 0.766 1251 A CB 0.127 18.775 19.000 -0.587 0.000 1.003 1251 A HN 1.010 nan 8.150 nan 0.000 0.497 1252 L N 1.560 122.060 121.223 -1.205 0.000 2.021 1252 L HA -0.232 4.108 4.340 -0.000 0.000 0.215 1252 L C 2.561 179.224 176.870 -0.346 0.000 1.074 1252 L CA 2.919 57.426 54.840 -0.555 0.000 0.760 1252 L CB -0.549 41.316 42.059 -0.322 0.000 0.889 1252 L HN 0.911 nan 8.230 nan 0.000 0.433 1253 E N -1.113 118.907 120.200 -0.300 0.000 2.110 1253 E HA -0.190 4.159 4.350 -0.000 0.000 0.193 1253 E C 2.005 178.460 176.600 -0.241 0.000 0.988 1253 E CA 1.591 57.873 56.400 -0.198 0.000 0.804 1253 E CB -0.730 28.896 29.700 -0.123 0.000 0.745 1253 E HN 0.564 nan 8.360 nan 0.000 0.458 1254 S N 1.066 116.562 115.700 -0.340 0.000 2.382 1254 S HA -0.032 4.438 4.470 -0.000 0.000 0.228 1254 S C 2.096 176.465 174.600 -0.384 0.000 1.027 1254 S CA 1.037 58.960 58.200 -0.462 0.000 0.991 1254 S CB -0.252 62.544 63.200 -0.673 0.000 0.823 1254 S HN 0.234 nan 8.310 nan 0.000 0.469 1255 L N 0.915 121.954 121.223 -0.307 0.000 2.141 1255 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 1255 L C 2.618 179.402 176.870 -0.144 0.000 1.094 1255 L CA 1.114 55.834 54.840 -0.200 0.000 0.763 1255 L CB -0.374 41.573 42.059 -0.187 0.000 0.908 1255 L HN 0.330 nan 8.230 nan 0.000 0.437 1256 Q N -0.977 118.733 119.800 -0.150 0.000 2.123 1256 Q HA -0.111 4.229 4.340 -0.000 0.000 0.196 1256 Q C 2.160 178.107 176.000 -0.089 0.000 0.958 1256 Q CA 1.874 57.616 55.803 -0.101 0.000 0.841 1256 Q CB 0.058 28.741 28.738 -0.092 0.000 0.915 1256 Q HN 0.570 nan 8.270 nan 0.000 0.455 1257 T N -3.607 110.879 114.554 -0.113 0.000 3.014 1257 T HA 0.117 4.466 4.350 -0.000 0.000 0.250 1257 T C 0.735 175.381 174.700 -0.090 0.000 1.060 1257 T CA 0.205 62.253 62.100 -0.087 0.000 1.040 1257 T CB 0.412 69.232 68.868 -0.080 0.000 0.971 1257 T HN 0.265 nan 8.240 nan 0.000 0.497 1258 Q N -0.582 119.131 119.800 -0.145 0.000 2.342 1258 Q HA -0.150 4.190 4.340 -0.000 0.000 0.196 1258 Q C -0.520 175.386 176.000 -0.156 0.000 0.629 1258 Q CA 1.094 56.819 55.803 -0.131 0.000 1.365 1258 Q CB -1.481 27.245 28.738 -0.020 0.000 1.406 1258 Q HN 0.546 nan 8.270 nan 0.000 0.840 1259 K N 0.486 120.781 120.400 -0.176 0.000 2.172 1259 K HA 0.487 4.807 4.320 -0.000 0.000 0.276 1259 K C -0.611 175.857 176.600 -0.220 0.000 1.013 1259 K CA -0.088 56.146 56.287 -0.088 0.000 0.913 1259 K CB 0.599 33.079 32.500 -0.033 0.000 1.055 1259 K HN -0.101 nan 8.250 nan 0.000 0.461 1260 F N 0.951 120.906 119.950 0.007 0.000 2.450 1260 F HA 0.377 4.904 4.527 -0.000 0.000 0.332 1260 F C 0.870 176.679 175.800 0.015 0.000 1.093 1260 F CA -0.424 57.587 58.000 0.018 0.000 1.003 1260 F CB 1.902 40.917 39.000 0.025 0.000 1.151 1260 F HN 0.522 nan 8.300 nan 0.000 0.474 1261 T N -2.657 112.018 114.554 0.202 0.000 2.838 1261 T HA 0.272 4.622 4.350 -0.000 0.000 0.292 1261 T C 0.626 175.420 174.700 0.156 0.000 1.113 1261 T CA -0.638 61.542 62.100 0.132 0.000 1.008 1261 T CB 1.356 70.273 68.868 0.081 0.000 1.259 1261 T HN 0.409 nan 8.240 nan 0.000 0.520 1262 T N 0.907 115.537 114.554 0.126 0.000 2.759 1262 T HA -0.064 4.286 4.350 -0.000 0.000 0.269 1262 T C 1.703 176.491 174.700 0.146 0.000 1.042 1262 T CA 1.091 63.292 62.100 0.168 0.000 1.140 1262 T CB -0.281 68.667 68.868 0.134 0.000 0.864 1262 T HN 0.455 nan 8.240 nan 0.000 0.455 1263 K N 1.544 121.999 120.400 0.091 0.000 2.217 1263 K HA 0.068 4.388 4.320 -0.000 0.000 0.202 1263 K C 2.627 179.327 176.600 0.167 0.000 1.051 1263 K CA 0.976 57.306 56.287 0.071 0.000 0.952 1263 K CB -0.567 31.963 32.500 0.051 0.000 0.736 1263 K HN 0.553 nan 8.250 nan 0.000 0.453 1264 S N 0.734 116.547 115.700 0.188 0.000 2.436 1264 S HA -0.073 4.397 4.470 -0.000 0.000 0.228 1264 S C 1.424 176.248 174.600 0.373 0.000 1.014 1264 S CA 0.747 59.092 58.200 0.242 0.000 0.950 1264 S CB -0.061 63.214 63.200 0.124 0.000 0.784 1264 S HN 0.089 nan 8.310 nan 0.000 0.504 1265 D N 1.821 122.441 120.400 0.367 0.000 2.144 1265 D HA -0.024 4.616 4.640 -0.000 0.000 0.199 1265 D C 2.052 178.686 176.300 0.555 0.000 0.984 1265 D CA 0.845 55.125 54.000 0.466 0.000 0.834 1265 D CB -0.482 40.610 40.800 0.487 0.000 0.955 1265 D HN 0.312 nan 8.370 nan 0.000 0.465 1266 V N 0.812 120.905 119.914 0.299 0.000 2.343 1266 V HA -0.202 3.917 4.120 -0.000 0.000 0.247 1266 V C 2.166 178.462 176.094 0.338 0.000 1.051 1266 V CA 1.252 63.586 62.300 0.056 0.000 1.036 1266 V CB -0.456 31.184 31.823 -0.305 0.000 0.654 1266 V HN 0.394 nan 8.190 nan 0.000 0.451 1267 W N 1.225 122.669 121.300 0.241 0.000 2.335 1267 W HA -0.210 4.449 4.660 -0.000 0.000 0.311 1267 W C 2.522 179.334 176.519 0.488 0.000 1.213 1267 W CA 2.191 59.767 57.345 0.386 0.000 1.274 1267 W CB -0.658 29.002 29.460 0.334 0.000 1.148 1267 W HN 0.329 nan 8.180 nan 0.000 0.498 1268 S N 0.592 116.784 115.700 0.820 0.000 2.382 1268 S HA -0.228 4.242 4.470 -0.000 0.000 0.228 1268 S C 1.566 176.527 174.600 0.602 0.000 1.027 1268 S CA 1.544 60.179 58.200 0.725 0.000 0.991 1268 S CB -1.011 62.556 63.200 0.611 0.000 0.823 1268 S HN 0.325 nan 8.310 nan 0.000 0.469 1269 F N 2.601 122.804 119.950 0.422 0.000 2.171 1269 F HA 0.012 4.539 4.527 -0.000 0.000 0.300 1269 F C 2.214 178.163 175.800 0.248 0.000 1.090 1269 F CA 1.126 59.330 58.000 0.341 0.000 1.293 1269 F CB -0.888 38.373 39.000 0.435 0.000 1.013 1269 F HN 0.207 nan 8.300 nan 0.000 0.486 1270 G N -0.004 108.895 108.800 0.166 0.000 2.421 1270 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 1270 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 1270 G C 1.745 176.811 174.900 0.276 0.000 1.171 1270 G CA 1.206 46.227 45.100 -0.131 0.000 0.775 1270 G HN 0.324 nan 8.290 nan 0.000 0.543 1271 V N 0.868 121.111 119.914 0.548 0.000 2.343 1271 V HA -0.143 3.977 4.120 -0.000 0.000 0.247 1271 V C 2.695 178.970 176.094 0.300 0.000 1.051 1271 V CA 1.662 64.172 62.300 0.349 0.000 1.036 1271 V CB -0.480 31.360 31.823 0.028 0.000 0.654 1271 V HN 0.397 nan 8.190 nan 0.000 0.451 1272 L N -0.687 120.695 121.223 0.266 0.000 2.042 1272 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 1272 L C 2.356 179.253 176.870 0.044 0.000 1.076 1272 L CA 1.700 56.654 54.840 0.189 0.000 0.749 1272 L CB -0.202 41.923 42.059 0.109 0.000 0.893 1272 L HN 0.241 nan 8.230 nan 0.000 0.432 1273 L N -1.541 119.591 121.223 -0.151 0.000 2.042 1273 L HA -0.283 4.057 4.340 -0.000 0.000 0.210 1273 L C 2.348 179.260 176.870 0.070 0.000 1.076 1273 L CA 1.949 56.710 54.840 -0.132 0.000 0.749 1273 L CB -0.667 41.246 42.059 -0.244 0.000 0.893 1273 L HN 0.533 nan 8.230 nan 0.000 0.432 1274 W N 1.251 122.561 121.300 0.017 0.000 2.363 1274 W HA -0.183 4.477 4.660 -0.001 0.000 0.296 1274 W C 2.381 178.916 176.519 0.026 0.000 1.212 1274 W CA 1.527 58.913 57.345 0.068 0.000 1.260 1274 W CB 0.054 29.607 29.460 0.155 0.000 1.131 1274 W HN 0.097 nan 8.180 nan 0.000 0.530 1275 E N 0.323 120.704 120.200 0.303 0.000 2.077 1275 E HA -0.267 4.083 4.350 -0.000 0.000 0.193 1275 E C 2.184 178.786 176.600 0.003 0.000 0.989 1275 E CA 1.778 58.275 56.400 0.161 0.000 0.800 1275 E CB -0.692 29.171 29.700 0.271 0.000 0.746 1275 E HN 0.367 nan 8.360 nan 0.000 0.452 1276 L N 0.276 121.519 121.223 0.035 0.000 1.989 1276 L HA -0.217 4.122 4.340 -0.000 0.000 0.211 1276 L C 2.526 179.371 176.870 -0.041 0.000 1.071 1276 L CA 0.886 55.748 54.840 0.036 0.000 0.749 1276 L CB -0.386 41.713 42.059 0.066 0.000 0.890 1276 L HN 0.232 nan 8.230 nan 0.000 0.431 1277 M N -0.469 119.062 119.600 -0.116 0.000 2.374 1277 M HA -0.083 4.396 4.480 -0.000 0.000 0.264 1277 M C 2.137 178.306 176.300 -0.219 0.000 1.067 1277 M CA 1.585 56.797 55.300 -0.146 0.000 1.103 1277 M CB -1.492 31.019 32.600 -0.148 0.000 1.402 1277 M HN 0.398 nan 8.290 nan 0.000 0.444 1278 T N -3.120 111.206 114.554 -0.381 0.000 3.107 1278 T HA 0.216 4.565 4.350 -0.000 0.000 0.249 1278 T C 0.743 175.337 174.700 -0.178 0.000 1.096 1278 T CA -0.312 61.548 62.100 -0.400 0.000 1.012 1278 T CB -0.178 68.192 68.868 -0.830 0.000 0.977 1278 T HN 0.418 nan 8.240 nan 0.000 0.527 1279 R N 0.797 121.241 120.500 -0.094 0.000 3.416 1279 R HA -0.156 4.184 4.340 -0.000 0.000 0.263 1279 R C 1.004 177.309 176.300 0.007 0.000 1.053 1279 R CA 0.406 56.500 56.100 -0.010 0.000 0.705 1279 R CB -2.303 27.997 30.300 -0.001 0.000 1.124 1279 R HN 0.902 nan 8.270 nan 0.000 0.444 1280 G N -1.892 106.910 108.800 0.005 0.000 2.140 1280 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.211 1280 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.211 1280 G C 0.189 175.130 174.900 0.069 0.000 1.013 1280 G CA 0.031 45.166 45.100 0.059 0.000 0.705 1280 G HN 0.820 nan 8.290 nan 0.000 0.508 1281 A N 0.714 123.546 122.820 0.021 0.000 2.425 1281 A HA 0.683 5.003 4.320 -0.000 0.000 0.249 1281 A C -1.230 176.502 177.584 0.247 0.000 1.084 1281 A CA -0.674 51.421 52.037 0.096 0.000 0.781 1281 A CB 0.325 19.334 19.000 0.015 0.000 1.019 1281 A HN 0.286 nan 8.150 nan 0.000 0.490 1282 P HA 0.253 nan 4.420 nan 0.000 0.276 1282 P C -2.712 174.655 177.300 0.111 0.000 1.235 1282 P CA -1.245 61.972 63.100 0.195 0.000 0.772 1282 P CB 0.412 32.289 31.700 0.294 0.000 0.871 1283 P HA 0.042 nan 4.420 nan 0.000 0.275 1283 P C -0.502 176.514 177.300 -0.474 0.000 1.228 1283 P CA -0.097 62.558 63.100 -0.742 0.000 0.786 1283 P CB 0.035 31.057 31.700 -1.130 0.000 0.927 1284 Y N 0.342 120.358 120.300 -0.473 0.000 3.001 1284 Y HA -0.176 4.374 4.550 -0.000 0.000 0.199 1284 Y C -0.962 174.806 175.900 -0.220 0.000 1.320 1284 Y CA -0.074 57.797 58.100 -0.382 0.000 0.974 1284 Y CB -2.630 35.533 38.460 -0.495 0.000 1.291 1284 Y HN 0.448 nan 8.280 nan 0.000 0.465 1285 P HA -0.147 nan 4.420 nan 0.000 0.220 1285 P C 0.674 177.981 177.300 0.012 0.000 1.148 1285 P CA 1.719 64.840 63.100 0.034 0.000 0.803 1285 P CB 0.357 32.093 31.700 0.060 0.000 0.782 1286 D N -0.589 119.803 120.400 -0.014 0.000 2.363 1286 D HA 0.097 4.736 4.640 -0.000 0.000 0.214 1286 D C 0.166 176.426 176.300 -0.066 0.000 1.093 1286 D CA 0.100 54.089 54.000 -0.018 0.000 0.837 1286 D CB 0.709 41.512 40.800 0.005 0.000 0.948 1286 D HN 0.070 nan 8.370 nan 0.000 0.507 1287 V N 1.921 121.753 119.914 -0.136 0.000 2.364 1287 V HA 0.110 4.230 4.120 -0.000 0.000 0.272 1287 V C 0.669 176.688 176.094 -0.124 0.000 1.036 1287 V CA -1.089 61.075 62.300 -0.226 0.000 0.880 1287 V CB 1.494 32.981 31.823 -0.560 0.000 0.991 1287 V HN 0.074 nan 8.190 nan 0.000 0.460 1288 N N 3.050 121.714 118.700 -0.059 0.000 2.479 1288 N HA -0.013 4.727 4.740 -0.000 0.000 0.257 1288 N C 1.550 177.040 175.510 -0.033 0.000 1.232 1288 N CA 0.680 53.721 53.050 -0.014 0.000 0.920 1288 N CB 1.733 40.260 38.487 0.067 0.000 1.105 1288 N HN 0.860 nan 8.380 nan 0.000 0.444 1289 T N 0.970 115.498 114.554 -0.043 0.000 2.849 1289 T HA -0.136 4.213 4.350 -0.000 0.000 0.270 1289 T C 1.727 176.438 174.700 0.019 0.000 1.066 1289 T CA 1.012 63.097 62.100 -0.026 0.000 1.130 1289 T CB -0.349 68.513 68.868 -0.009 0.000 0.864 1289 T HN 0.437 nan 8.240 nan 0.000 0.481 1290 F N 2.153 122.103 119.950 0.000 0.000 2.333 1290 F HA 0.095 4.622 4.527 -0.000 0.000 0.300 1290 F C 1.771 177.530 175.800 -0.070 0.000 1.083 1290 F CA 0.368 58.309 58.000 -0.099 0.000 1.395 1290 F CB -0.335 38.568 39.000 -0.162 0.000 1.056 1290 F HN 0.223 nan 8.300 nan 0.000 0.529 1291 D N -1.519 118.948 120.400 0.111 0.000 2.433 1291 D HA 0.059 4.698 4.640 -0.000 0.000 0.211 1291 D C 2.168 178.463 176.300 -0.007 0.000 1.114 1291 D CA 0.102 54.131 54.000 0.048 0.000 0.837 1291 D CB 0.082 40.907 40.800 0.042 0.000 0.984 1291 D HN 0.151 nan 8.370 nan 0.000 0.505 1292 I N 1.020 121.543 120.570 -0.078 0.000 2.286 1292 I HA -0.209 3.960 4.170 -0.000 0.000 0.248 1292 I C 1.832 177.890 176.117 -0.099 0.000 1.115 1292 I CA 1.602 62.791 61.300 -0.186 0.000 1.392 1292 I CB -0.368 37.467 38.000 -0.275 0.000 1.065 1292 I HN -0.150 nan 8.210 nan 0.000 0.418 1293 T N -0.572 113.945 114.554 -0.062 0.000 2.708 1293 T HA -0.171 4.178 4.350 -0.000 0.000 0.266 1293 T C 2.012 176.697 174.700 -0.025 0.000 1.037 1293 T CA 1.759 63.825 62.100 -0.057 0.000 1.146 1293 T CB -0.717 68.123 68.868 -0.047 0.000 0.865 1293 T HN 0.278 nan 8.240 nan 0.000 0.435 1294 V N 0.213 120.128 119.914 0.002 0.000 2.548 1294 V HA -0.069 4.051 4.120 -0.000 0.000 0.249 1294 V C 2.014 178.121 176.094 0.022 0.000 1.055 1294 V CA 1.178 63.482 62.300 0.006 0.000 1.065 1294 V CB -0.624 31.204 31.823 0.007 0.000 0.681 1294 V HN 0.562 nan 8.190 nan 0.000 0.462 1295 Y N 0.363 120.611 120.300 -0.086 0.000 2.114 1295 Y HA -0.272 4.278 4.550 -0.000 0.000 0.282 1295 Y C 2.181 178.032 175.900 -0.083 0.000 1.165 1295 Y CA 2.460 60.503 58.100 -0.096 0.000 1.148 1295 Y CB -0.058 38.305 38.460 -0.162 0.000 0.972 1295 Y HN 0.233 nan 8.280 nan 0.000 0.504 1296 L N -0.903 120.344 121.223 0.039 0.000 2.072 1296 L HA -0.209 4.131 4.340 -0.000 0.000 0.205 1296 L C 2.456 179.324 176.870 -0.003 0.000 1.079 1296 L CA 0.524 55.381 54.840 0.028 0.000 0.752 1296 L CB -0.618 41.474 42.059 0.055 0.000 0.906 1296 L HN 0.321 nan 8.230 nan 0.000 0.436 1297 L N 0.362 121.572 121.223 -0.022 0.000 2.042 1297 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 1297 L C 2.248 179.091 176.870 -0.046 0.000 1.076 1297 L CA 1.895 56.719 54.840 -0.027 0.000 0.749 1297 L CB -0.620 41.421 42.059 -0.029 0.000 0.893 1297 L HN 0.446 nan 8.230 nan 0.000 0.432 1298 Q N -0.766 118.986 119.800 -0.081 0.000 2.561 1298 Q HA -0.049 4.290 4.340 -0.000 0.000 0.217 1298 Q C 1.255 177.181 176.000 -0.123 0.000 0.980 1298 Q CA 0.585 56.323 55.803 -0.108 0.000 0.927 1298 Q CB -0.180 28.468 28.738 -0.150 0.000 0.980 1298 Q HN 0.747 nan 8.270 nan 0.000 0.525 1299 G N 1.151 109.891 108.800 -0.100 0.000 2.179 1299 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.260 1299 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.260 1299 G C -0.032 174.798 174.900 -0.116 0.000 0.977 1299 G CA -0.045 45.007 45.100 -0.081 0.000 0.641 1299 G HN 0.281 nan 8.290 nan 0.000 0.533 1300 R N 0.159 120.517 120.500 -0.237 0.000 2.539 1300 R HA 0.658 4.998 4.340 -0.000 0.000 0.275 1300 R C 0.457 176.663 176.300 -0.157 0.000 1.077 1300 R CA -0.093 55.806 56.100 -0.335 0.000 1.097 1300 R CB 0.519 30.276 30.300 -0.905 0.000 1.018 1300 R HN 0.167 nan 8.270 nan 0.000 0.483 1301 R N 1.530 122.007 120.500 -0.037 0.000 2.836 1301 R HA 0.345 4.685 4.340 -0.000 0.000 0.269 1301 R C -0.452 175.837 176.300 -0.018 0.000 1.010 1301 R CA -1.207 54.875 56.100 -0.030 0.000 0.930 1301 R CB 0.931 31.232 30.300 0.001 0.000 1.218 1301 R HN 0.427 nan 8.270 nan 0.000 0.473 1302 L N 2.326 123.316 121.223 -0.388 0.000 2.525 1302 L HA 0.065 4.405 4.340 -0.000 0.000 0.278 1302 L C 0.500 177.419 176.870 0.082 0.000 1.218 1302 L CA 0.337 54.852 54.840 -0.542 0.000 0.878 1302 L CB -0.062 41.176 42.059 -1.369 0.000 1.127 1302 L HN 0.227 nan 8.230 nan 0.000 0.492 1303 L N 3.008 124.330 121.223 0.164 0.000 2.439 1303 L HA 0.219 4.559 4.340 -0.000 0.000 0.261 1303 L C 0.530 177.491 176.870 0.152 0.000 1.153 1303 L CA -0.461 54.507 54.840 0.213 0.000 0.808 1303 L CB 0.631 42.759 42.059 0.114 0.000 1.126 1303 L HN 0.604 nan 8.230 nan 0.000 0.460 1304 Q N 2.165 121.678 119.800 -0.477 0.000 2.247 1304 Q HA 0.096 4.436 4.340 -0.000 0.000 0.288 1304 Q C -2.197 173.633 176.000 -0.284 0.000 1.079 1304 Q CA -1.265 54.069 55.803 -0.781 0.000 0.932 1304 Q CB 0.629 28.768 28.738 -0.998 0.000 1.133 1304 Q HN 0.243 nan 8.270 nan 0.000 0.377 1305 P HA -0.069 nan 4.420 nan 0.000 0.268 1305 P C -0.046 177.095 177.300 -0.265 0.000 1.205 1305 P CA 0.046 62.976 63.100 -0.283 0.000 0.771 1305 P CB 0.709 32.176 31.700 -0.387 0.000 0.858 1306 E N 1.541 121.546 120.200 -0.325 0.000 2.114 1306 E HA -0.252 4.098 4.350 -0.000 0.000 0.199 1306 E C 0.134 176.395 176.600 -0.566 0.000 1.008 1306 E CA 1.625 57.716 56.400 -0.515 0.000 0.810 1306 E CB -0.167 29.069 29.700 -0.774 0.000 0.739 1306 E HN 0.533 nan 8.360 nan 0.000 0.456 1307 Y N -1.076 119.171 120.300 -0.088 0.000 2.658 1307 Y HA 0.229 4.779 4.550 -0.000 0.000 0.276 1307 Y C 0.102 175.974 175.900 -0.048 0.000 1.167 1307 Y CA -0.785 57.283 58.100 -0.054 0.000 1.230 1307 Y CB 0.187 38.615 38.460 -0.053 0.000 1.144 1307 Y HN 0.028 nan 8.280 nan 0.000 0.529 1308 C N 5.398 124.703 119.300 0.008 0.000 2.482 1308 C HA 0.394 4.854 4.460 -0.000 0.000 0.378 1308 C C -1.878 173.147 174.990 0.058 0.000 1.284 1308 C CA -2.321 56.709 59.018 0.021 0.000 1.826 1308 C CB -0.352 27.377 27.740 -0.019 0.000 2.473 1308 C HN 0.239 nan 8.230 nan 0.000 0.562 1309 P HA 0.132 nan 4.420 nan 0.000 0.269 1309 P C 0.344 177.716 177.300 0.120 0.000 1.209 1309 P CA 0.338 63.521 63.100 0.138 0.000 0.776 1309 P CB 0.701 32.535 31.700 0.225 0.000 0.876 1310 D N 3.218 123.677 120.400 0.099 0.000 2.106 1310 D HA -0.154 4.486 4.640 -0.000 0.000 0.191 1310 D C -0.582 175.792 176.300 0.123 0.000 0.997 1310 D CA 1.917 55.986 54.000 0.114 0.000 0.834 1310 D CB -1.991 38.856 40.800 0.080 0.000 0.956 1310 D HN 0.434 nan 8.370 nan 0.000 0.448 1311 P HA -0.127 nan 4.420 nan 0.000 0.217 1311 P C 1.826 179.173 177.300 0.078 0.000 1.148 1311 P CA 0.746 63.892 63.100 0.076 0.000 0.828 1311 P CB 0.049 31.794 31.700 0.076 0.000 0.783 1312 L N -1.509 119.779 121.223 0.107 0.000 2.072 1312 L HA -0.097 4.243 4.340 -0.000 0.000 0.205 1312 L C 2.607 179.529 176.870 0.088 0.000 1.079 1312 L CA 1.588 56.482 54.840 0.091 0.000 0.752 1312 L CB -1.701 40.416 42.059 0.098 0.000 0.906 1312 L HN -0.167 nan 8.230 nan 0.000 0.436 1313 Y N 0.675 120.969 120.300 -0.009 0.000 2.207 1313 Y HA -0.272 4.278 4.550 -0.000 0.000 0.287 1313 Y C 2.604 178.463 175.900 -0.067 0.000 1.156 1313 Y CA 2.062 60.150 58.100 -0.021 0.000 1.182 1313 Y CB -0.232 38.245 38.460 0.028 0.000 0.979 1313 Y HN 0.432 nan 8.280 nan 0.000 0.521 1314 E N -0.747 119.422 120.200 -0.052 0.000 2.038 1314 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 1314 E C 2.215 178.692 176.600 -0.206 0.000 1.000 1314 E CA 1.971 58.290 56.400 -0.135 0.000 0.803 1314 E CB -0.271 29.409 29.700 -0.033 0.000 0.750 1314 E HN 0.305 nan 8.360 nan 0.000 0.448 1315 V N 1.029 120.856 119.914 -0.144 0.000 2.282 1315 V HA -0.351 3.769 4.120 -0.000 0.000 0.249 1315 V C 2.459 178.350 176.094 -0.338 0.000 1.057 1315 V CA 2.219 64.424 62.300 -0.158 0.000 1.032 1315 V CB -0.467 31.326 31.823 -0.051 0.000 0.645 1315 V HN 0.405 nan 8.190 nan 0.000 0.447 1316 M N -0.989 118.330 119.600 -0.467 0.000 2.080 1316 M HA -0.210 4.270 4.480 -0.000 0.000 0.260 1316 M C 2.191 177.644 176.300 -1.412 0.000 1.068 1316 M CA 1.979 56.702 55.300 -0.963 0.000 1.109 1316 M CB -0.533 31.592 32.600 -0.792 0.000 1.342 1316 M HN 0.276 nan 8.290 nan 0.000 0.405 1317 L N -0.160 120.510 121.223 -0.921 0.000 2.042 1317 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 1317 L C 2.464 179.107 176.870 -0.379 0.000 1.076 1317 L CA 1.428 55.929 54.840 -0.565 0.000 0.749 1317 L CB -0.750 41.057 42.059 -0.419 0.000 0.893 1317 L HN 0.329 nan 8.230 nan 0.000 0.432 1318 K N -0.539 119.667 120.400 -0.325 0.000 2.097 1318 K HA -0.173 4.147 4.320 -0.000 0.000 0.206 1318 K C 2.103 178.586 176.600 -0.195 0.000 1.049 1318 K CA 1.581 57.769 56.287 -0.164 0.000 0.933 1318 K CB -0.353 32.065 32.500 -0.137 0.000 0.717 1318 K HN 0.385 nan 8.250 nan 0.000 0.442 1319 C N -0.228 118.823 119.300 -0.415 0.000 2.422 1319 C HA -0.084 4.375 4.460 -0.000 0.000 0.286 1319 C C 1.361 176.153 174.990 -0.330 0.000 1.412 1319 C CA 0.143 58.923 59.018 -0.397 0.000 1.786 1319 C CB -0.849 26.545 27.740 -0.577 0.000 1.835 1319 C HN 0.570 nan 8.230 nan 0.000 0.533 1320 W N -0.860 120.201 121.300 -0.399 0.000 2.966 1320 W HA 0.318 4.978 4.660 -0.001 0.000 0.406 1320 W C 0.664 177.040 176.519 -0.238 0.000 1.027 1320 W CA -1.116 55.742 57.345 -0.810 0.000 1.930 1320 W CB -1.608 27.172 29.460 -1.132 0.000 1.144 1320 W HN 0.426 nan 8.180 nan 0.000 0.626 1321 H N 3.427 122.537 119.070 0.066 0.000 3.034 1321 H HA -0.023 4.533 4.556 -0.000 0.000 0.324 1321 H C -0.885 174.586 175.328 0.239 0.000 1.015 1321 H CA 0.004 56.119 56.048 0.112 0.000 1.429 1321 H CB 1.293 31.083 29.762 0.047 0.000 1.429 1321 H HN -0.256 nan 8.280 nan 0.000 0.585 1322 P HA -0.180 nan 4.420 nan 0.000 0.217 1322 P C -0.352 177.104 177.300 0.260 0.000 1.148 1322 P CA 1.386 64.649 63.100 0.272 0.000 0.828 1322 P CB 0.311 32.091 31.700 0.133 0.000 0.783 1323 K N 0.251 120.848 120.400 0.328 0.000 2.284 1323 K HA 0.345 4.665 4.320 -0.000 0.000 0.287 1323 K C 1.306 177.993 176.600 0.145 0.000 1.081 1323 K CA -0.160 56.244 56.287 0.194 0.000 0.910 1323 K CB 0.862 33.454 32.500 0.154 0.000 1.088 1323 K HN -0.073 nan 8.250 nan 0.000 0.478 1324 A N 3.652 126.538 122.820 0.110 0.000 1.978 1324 A HA -0.206 4.113 4.320 -0.000 0.000 0.220 1324 A C 1.787 179.394 177.584 0.038 0.000 1.170 1324 A CA 1.616 53.709 52.037 0.094 0.000 0.636 1324 A CB -0.257 18.783 19.000 0.067 0.000 0.810 1324 A HN 0.798 nan 8.150 nan 0.000 0.448 1325 E N -0.761 119.445 120.200 0.010 0.000 2.268 1325 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 1325 E C 1.503 178.061 176.600 -0.070 0.000 0.995 1325 E CA 0.997 57.382 56.400 -0.025 0.000 0.836 1325 E CB -0.425 29.261 29.700 -0.023 0.000 0.763 1325 E HN 0.499 nan 8.360 nan 0.000 0.491 1326 M N 1.188 120.721 119.600 -0.112 0.000 2.506 1326 M HA 0.094 4.574 4.480 -0.000 0.000 0.260 1326 M C 0.842 177.024 176.300 -0.198 0.000 1.104 1326 M CA 0.532 55.676 55.300 -0.259 0.000 1.112 1326 M CB -0.258 31.943 32.600 -0.665 0.000 1.401 1326 M HN -0.004 nan 8.290 nan 0.000 0.473 1327 R N 1.636 122.084 120.500 -0.087 0.000 2.539 1327 R HA 0.295 4.635 4.340 -0.000 0.000 0.275 1327 R C -2.231 174.004 176.300 -0.108 0.000 1.077 1327 R CA -1.572 54.489 56.100 -0.065 0.000 1.097 1327 R CB -0.714 29.588 30.300 0.002 0.000 1.018 1327 R HN 0.055 nan 8.270 nan 0.000 0.483 1328 P HA -0.053 nan 4.420 nan 0.000 0.270 1328 P C -0.161 177.009 177.300 -0.216 0.000 1.223 1328 P CA -0.129 62.883 63.100 -0.146 0.000 0.785 1328 P CB 0.568 32.187 31.700 -0.136 0.000 0.923 1329 S N 0.323 115.912 115.700 -0.183 0.000 2.645 1329 S HA 0.224 4.694 4.470 -0.000 0.000 0.266 1329 S C 1.001 175.437 174.600 -0.274 0.000 1.258 1329 S CA -0.347 57.724 58.200 -0.215 0.000 0.990 1329 S CB -0.034 63.110 63.200 -0.093 0.000 0.967 1329 S HN 0.212 nan 8.310 nan 0.000 0.556 1330 F N 0.769 120.650 119.950 -0.117 0.000 2.293 1330 F HA 0.013 4.540 4.527 -0.000 0.000 0.300 1330 F C 2.906 178.620 175.800 -0.143 0.000 1.086 1330 F CA 1.093 58.981 58.000 -0.188 0.000 1.375 1330 F CB -1.016 37.856 39.000 -0.214 0.000 1.045 1330 F HN 0.582 nan 8.300 nan 0.000 0.516 1331 S N -0.148 115.587 115.700 0.059 0.000 2.353 1331 S HA -0.218 4.252 4.470 -0.000 0.000 0.222 1331 S C 2.020 176.621 174.600 0.001 0.000 1.035 1331 S CA 1.619 59.832 58.200 0.023 0.000 1.025 1331 S CB -0.285 62.922 63.200 0.011 0.000 0.902 1331 S HN 0.440 nan 8.310 nan 0.000 0.440 1332 E N 0.606 120.791 120.200 -0.025 0.000 2.058 1332 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 1332 E C 2.125 178.712 176.600 -0.021 0.000 0.997 1332 E CA 1.139 57.520 56.400 -0.030 0.000 0.801 1332 E CB -0.313 29.353 29.700 -0.056 0.000 0.746 1332 E HN 0.399 nan 8.360 nan 0.000 0.450 1333 L N 0.491 121.689 121.223 -0.041 0.000 2.046 1333 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 1333 L C 2.475 179.361 176.870 0.026 0.000 1.077 1333 L CA 0.736 55.566 54.840 -0.016 0.000 0.747 1333 L CB -0.377 41.626 42.059 -0.094 0.000 0.896 1333 L HN 0.047 nan 8.230 nan 0.000 0.432 1334 V N -0.787 119.135 119.914 0.015 0.000 2.255 1334 V HA -0.325 3.795 4.120 -0.000 0.000 0.247 1334 V C 2.551 178.670 176.094 0.041 0.000 1.051 1334 V CA 2.206 64.522 62.300 0.026 0.000 1.018 1334 V CB -0.607 31.227 31.823 0.017 0.000 0.641 1334 V HN 0.424 nan 8.190 nan 0.000 0.445 1335 S N -0.429 115.291 115.700 0.034 0.000 2.353 1335 S HA -0.233 4.237 4.470 -0.000 0.000 0.222 1335 S C 2.055 176.686 174.600 0.052 0.000 1.035 1335 S CA 1.658 59.881 58.200 0.039 0.000 1.025 1335 S CB -0.405 62.810 63.200 0.026 0.000 0.902 1335 S HN 0.496 nan 8.310 nan 0.000 0.440 1336 R N 0.546 121.074 120.500 0.046 0.000 2.080 1336 R HA -0.031 4.309 4.340 -0.000 0.000 0.236 1336 R C 2.297 178.649 176.300 0.088 0.000 1.137 1336 R CA 1.571 57.704 56.100 0.055 0.000 0.943 1336 R CB -0.652 29.670 30.300 0.038 0.000 0.846 1336 R HN 0.405 nan 8.270 nan 0.000 0.431 1337 I N 0.493 121.126 120.570 0.106 0.000 2.439 1337 I HA -0.237 3.933 4.170 -0.000 0.000 0.251 1337 I C 2.734 178.950 176.117 0.166 0.000 1.139 1337 I CA 1.012 62.398 61.300 0.142 0.000 1.438 1337 I CB -0.263 37.837 38.000 0.167 0.000 1.085 1337 I HN 0.202 nan 8.210 nan 0.000 0.427 1338 S N 1.265 117.045 115.700 0.132 0.000 2.368 1338 S HA -0.205 4.264 4.470 -0.000 0.000 0.225 1338 S C 2.275 176.998 174.600 0.205 0.000 1.030 1338 S CA 1.355 59.651 58.200 0.159 0.000 0.999 1338 S CB -0.271 62.987 63.200 0.097 0.000 0.844 1338 S HN 0.416 nan 8.310 nan 0.000 0.459 1339 A N 1.538 124.443 122.820 0.141 0.000 1.902 1339 A HA 0.075 4.395 4.320 -0.000 0.000 0.217 1339 A C 2.229 179.895 177.584 0.138 0.000 1.181 1339 A CA 1.500 53.608 52.037 0.117 0.000 0.623 1339 A CB -0.846 18.201 19.000 0.078 0.000 0.818 1339 A HN 0.643 nan 8.150 nan 0.000 0.443 1340 I N -1.866 118.802 120.570 0.163 0.000 2.179 1340 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 1340 I C 2.349 178.646 176.117 0.299 0.000 1.088 1340 I CA 1.640 63.062 61.300 0.203 0.000 1.357 1340 I CB -0.398 37.718 38.000 0.192 0.000 1.051 1340 I HN 0.434 nan 8.210 nan 0.000 0.409 1341 F N 1.682 121.716 119.950 0.140 0.000 2.091 1341 F HA -0.288 4.239 4.527 -0.000 0.000 0.299 1341 F C 2.686 178.592 175.800 0.177 0.000 1.103 1341 F CA 1.945 60.024 58.000 0.131 0.000 1.228 1341 F CB -0.453 38.577 39.000 0.050 0.000 0.984 1341 F HN -0.087 nan 8.300 nan 0.000 0.477 1342 S N -0.654 115.120 115.700 0.123 0.000 2.440 1342 S HA -0.194 4.276 4.470 -0.000 0.000 0.238 1342 S C 1.897 176.463 174.600 -0.057 0.000 1.010 1342 S CA 1.489 59.690 58.200 0.002 0.000 0.972 1342 S CB -0.904 62.343 63.200 0.080 0.000 0.774 1342 S HN 0.695 nan 8.310 nan 0.000 0.501 1343 T N -1.615 112.925 114.554 -0.024 0.000 3.160 1343 T HA 0.110 4.460 4.350 -0.000 0.000 0.257 1343 T C 0.619 175.132 174.700 -0.311 0.000 1.147 1343 T CA 0.435 62.450 62.100 -0.140 0.000 1.064 1343 T CB -0.467 68.310 68.868 -0.151 0.000 0.949 1343 T HN 0.295 nan 8.240 nan 0.000 0.526 1344 F N 1.702 121.501 119.950 -0.250 0.000 2.837 1344 F HA 0.664 5.191 4.527 -0.000 0.000 0.298 1344 F C 0.850 176.457 175.800 -0.322 0.000 1.161 1344 F CA -0.454 57.377 58.000 -0.282 0.000 1.353 1344 F CB 0.293 39.087 39.000 -0.343 0.000 0.951 1344 F HN 0.311 nan 8.300 nan 0.000 0.508 1345 I N 0.000 120.480 120.570 -0.149 0.000 2.984 1345 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 1345 I CA 0.000 nan 61.300 nan 0.000 1.566 1345 I CB 0.000 nan 38.000 nan 0.000 1.214 1345 I HN 0.000 nan 8.210 nan 0.000 0.494