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 3lvh_1_B DATA FIRST_RESID 1077 DATA SEQUENCE VNTSAVQVLI EHIGNLDRAY EFAERCNEPA VWSQLAKAQL QKGMVKEAID DATA SEQUENCE SYIKADDPSS YMEVVQAANT SGNWEELVKY LQMARKKARE SYVETELIFA DATA SEQUENCE LAKTNRLAEL EEFINGPNNA HIQQVGDRCY DEKMYDAAKL LYNNVSNFGR DATA SEQUENCE LASTLVHLGE YQAAVDGARK ANSTRTWKEV CFACVDGKEF RLAQMCGLHI DATA SEQUENCE VVHADELEEL INYYQDRGYF EELITMLEAA LGLERAHMGM FTELAILYSK DATA SEQUENCE FKPQKMREHL ELFWSRVNIP KVLRAAEQAH LWAELVFLYD KYEEYDNAII DATA SEQUENCE TMMNHPTDAW KEGQFKDIIT KVANVELYYR AIQFYLEFKP LLLNDLLMVL DATA SEQUENCE SPRLDHTRAV NYFSKVKQLP LVKPYLRSVQ NHNNKSVNES LNNLFITEED DATA SEQUENCE YQALRTSIDA YDNFDNISLA QRLEKHELIE FRRIAAYLFK GNNRWKQSVE DATA SEQUENCE LCKKDSLYKD AMQYASESKD TELAEELLQW FLQEEKRECF GACLFTCYDL DATA SEQUENCE LRPDVVLETA WRHNIMDFAM PYFIQVMKEY LTKVDKLDAS ESLRKEEEQA DATA SEQUENCE TETQ 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 1077 V HA 0.000 nan 4.120 nan 0.000 0.244 1077 V C 0.000 176.092 176.094 -0.003 0.000 1.182 1077 V CA 0.000 62.298 62.300 -0.003 0.000 1.235 1077 V CB 0.000 31.818 31.823 -0.009 0.000 1.184 1078 N N 1.106 119.815 118.700 0.015 0.000 2.651 1078 N HA -0.122 4.618 4.740 0.000 0.000 0.193 1078 N C 0.863 176.393 175.510 0.033 0.000 1.149 1078 N CA 1.311 54.377 53.050 0.026 0.000 0.933 1078 N CB -0.179 38.341 38.487 0.056 0.000 0.974 1078 N HN 0.623 nan 8.380 nan 0.000 0.448 1079 T N -1.020 113.546 114.554 0.021 0.000 3.366 1079 T HA 0.247 4.597 4.350 0.000 0.000 0.249 1079 T C 0.349 175.036 174.700 -0.022 0.000 1.028 1079 T CA 0.002 62.114 62.100 0.019 0.000 0.938 1079 T CB -0.164 68.713 68.868 0.016 0.000 1.046 1079 T HN 0.332 nan 8.240 nan 0.000 0.587 1080 S N -0.072 115.605 115.700 -0.038 0.000 2.501 1080 S HA 0.205 4.675 4.470 0.000 0.000 0.250 1080 S C 2.027 176.557 174.600 -0.117 0.000 0.959 1080 S CA 0.088 58.243 58.200 -0.075 0.000 1.250 1080 S CB -0.459 62.697 63.200 -0.074 0.000 0.933 1080 S HN 0.422 nan 8.310 nan 0.000 0.420 1081 A N 1.169 123.906 122.820 -0.138 0.000 2.194 1081 A HA 0.058 4.378 4.320 0.000 0.000 0.220 1081 A C 1.904 179.202 177.584 -0.477 0.000 1.162 1081 A CA 1.801 53.679 52.037 -0.265 0.000 0.674 1081 A CB -0.417 18.454 19.000 -0.215 0.000 0.789 1081 A HN 0.415 nan 8.150 nan 0.000 0.470 1082 V N -1.097 118.679 119.914 -0.230 0.000 2.599 1082 V HA -0.095 4.025 4.120 0.000 0.000 0.237 1082 V C 1.998 178.115 176.094 0.038 0.000 1.081 1082 V CA 1.445 63.702 62.300 -0.072 0.000 1.107 1082 V CB -0.430 31.525 31.823 0.220 0.000 0.808 1082 V HN 0.623 nan 8.190 nan 0.000 0.486 1083 Q N 0.166 119.975 119.800 0.014 0.000 2.449 1083 Q HA -0.104 4.236 4.340 0.000 0.000 0.214 1083 Q C 1.309 177.294 176.000 -0.025 0.000 0.986 1083 Q CA 1.451 57.253 55.803 -0.003 0.000 0.893 1083 Q CB -0.126 28.564 28.738 -0.081 0.000 0.940 1083 Q HN 0.616 nan 8.270 nan 0.000 0.477 1084 V N 1.598 121.472 119.914 -0.067 0.000 3.170 1084 V HA 0.048 4.168 4.120 0.000 0.000 0.354 1084 V C 0.723 176.779 176.094 -0.064 0.000 1.350 1084 V CA 0.165 62.422 62.300 -0.072 0.000 1.244 1084 V CB -0.379 31.383 31.823 -0.102 0.000 1.222 1084 V HN 0.314 nan 8.190 nan 0.000 0.478 1085 L N -2.002 119.224 121.223 0.006 0.000 3.001 1085 L HA 0.541 4.881 4.340 0.000 0.000 0.234 1085 L C 0.609 177.551 176.870 0.120 0.000 1.321 1085 L CA -0.339 54.563 54.840 0.103 0.000 1.138 1085 L CB -0.638 41.667 42.059 0.410 0.000 1.503 1085 L HN 0.042 nan 8.230 nan 0.000 0.487 1086 I N 1.514 122.131 120.570 0.079 0.000 3.288 1086 I HA -0.278 3.892 4.170 0.000 0.000 0.319 1086 I C 1.864 178.045 176.117 0.106 0.000 1.188 1086 I CA 0.993 62.345 61.300 0.087 0.000 1.443 1086 I CB 0.590 38.639 38.000 0.081 0.000 1.290 1086 I HN 0.631 nan 8.210 nan 0.000 0.560 1087 E N 3.042 123.301 120.200 0.098 0.000 2.333 1087 E HA -0.312 4.038 4.350 0.000 0.000 0.200 1087 E C 1.603 178.268 176.600 0.108 0.000 1.010 1087 E CA 1.734 58.190 56.400 0.092 0.000 0.841 1087 E CB -0.254 29.494 29.700 0.079 0.000 0.757 1087 E HN 0.799 nan 8.360 nan 0.000 0.508 1088 H N 0.279 119.367 119.070 0.030 0.000 2.639 1088 H HA 0.205 4.761 4.556 0.000 0.000 0.267 1088 H C 1.503 176.846 175.328 0.026 0.000 0.958 1088 H CA 0.344 56.405 56.048 0.022 0.000 1.221 1088 H CB 0.511 30.281 29.762 0.012 0.000 1.446 1088 H HN 0.221 nan 8.280 nan 0.000 0.512 1089 I N 0.222 120.838 120.570 0.078 0.000 3.956 1089 I HA 0.207 4.377 4.170 0.000 0.000 0.333 1089 I C 0.591 176.756 176.117 0.081 0.000 1.302 1089 I CA 0.235 61.559 61.300 0.040 0.000 1.122 1089 I CB 1.123 39.157 38.000 0.056 0.000 1.013 1089 I HN 0.115 nan 8.210 nan 0.000 0.405 1090 G N 1.545 110.403 108.800 0.096 0.000 2.744 1090 G HA2 0.344 4.304 3.960 0.000 0.000 0.286 1090 G HA3 0.344 4.304 3.960 0.000 0.000 0.286 1090 G C -1.490 173.431 174.900 0.034 0.000 1.497 1090 G CA -0.374 44.811 45.100 0.142 0.000 1.070 1090 G HN 0.140 nan 8.290 nan 0.000 0.539 1091 N N 3.079 121.760 118.700 -0.032 0.000 2.410 1091 N HA 0.544 5.284 4.740 0.000 0.000 0.287 1091 N C 0.999 176.438 175.510 -0.117 0.000 1.044 1091 N CA -0.841 52.180 53.050 -0.050 0.000 0.881 1091 N CB 1.389 39.838 38.487 -0.064 0.000 1.405 1091 N HN 0.511 nan 8.380 nan 0.000 0.490 1092 L N 1.235 122.418 121.223 -0.066 0.000 6.328 1092 L HA -0.361 3.979 4.340 0.000 0.000 0.053 1092 L C -0.091 176.456 176.870 -0.537 0.000 2.032 1092 L CA 1.066 55.863 54.840 -0.073 0.000 1.701 1092 L CB -0.977 41.107 42.059 0.042 0.000 2.706 1092 L HN 0.636 nan 8.230 nan 0.000 1.012 1093 D N 0.591 120.802 120.400 -0.314 0.000 2.906 1093 D HA 0.091 4.731 4.640 0.000 0.000 0.237 1093 D C 1.086 177.080 176.300 -0.510 0.000 1.201 1093 D CA 0.952 54.703 54.000 -0.415 0.000 0.998 1093 D CB -0.002 40.734 40.800 -0.106 0.000 1.183 1093 D HN 0.316 nan 8.370 nan 0.000 0.436 1094 R N -0.284 119.769 120.500 -0.745 0.000 3.372 1094 R HA 0.219 4.559 4.340 0.000 0.000 0.150 1094 R C 1.846 177.492 176.300 -1.090 0.000 0.739 1094 R CA 0.403 56.143 56.100 -0.600 0.000 1.041 1094 R CB -0.321 29.814 30.300 -0.274 0.000 1.530 1094 R HN 0.088 nan 8.270 nan 0.000 0.534 1095 A N 0.882 123.148 122.820 -0.924 0.000 1.948 1095 A HA -0.194 4.126 4.320 0.000 0.000 0.220 1095 A C 1.368 178.456 177.584 -0.826 0.000 1.177 1095 A CA 1.705 53.296 52.037 -0.744 0.000 0.636 1095 A CB -0.749 18.149 19.000 -0.169 0.000 0.815 1095 A HN 0.632 nan 8.150 nan 0.000 0.449 1096 Y N -1.726 118.304 120.300 -0.450 0.000 2.532 1096 Y HA 0.481 5.031 4.550 0.000 0.000 0.283 1096 Y C 1.377 177.092 175.900 -0.309 0.000 1.181 1096 Y CA -0.091 57.835 58.100 -0.290 0.000 1.256 1096 Y CB -0.345 38.025 38.460 -0.150 0.000 1.112 1096 Y HN 0.285 nan 8.280 nan 0.000 0.521 1097 E N 0.530 120.366 120.200 -0.608 0.000 2.415 1097 E HA 0.069 4.419 4.350 0.000 0.000 0.197 1097 E C -0.072 176.408 176.600 -0.199 0.000 1.007 1097 E CA 0.269 56.456 56.400 -0.355 0.000 0.890 1097 E CB 0.130 29.608 29.700 -0.369 0.000 0.891 1097 E HN 0.613 nan 8.360 nan 0.000 0.496 1098 F N -2.333 117.606 119.950 -0.018 0.000 2.850 1098 F HA 0.633 5.160 4.527 0.000 0.000 0.329 1098 F C 0.750 176.565 175.800 0.025 0.000 1.182 1098 F CA -1.001 56.998 58.000 -0.001 0.000 1.270 1098 F CB -0.272 38.719 39.000 -0.016 0.000 0.979 1098 F HN -0.159 nan 8.300 nan 0.000 0.506 1099 A N -0.229 122.733 122.820 0.236 0.000 2.192 1099 A HA 0.165 4.485 4.320 0.000 0.000 0.208 1099 A C 1.936 179.606 177.584 0.143 0.000 1.220 1099 A CA 0.307 52.478 52.037 0.224 0.000 0.900 1099 A CB -0.211 18.900 19.000 0.185 0.000 0.937 1099 A HN 0.384 nan 8.150 nan 0.000 0.487 1100 E N 0.268 120.522 120.200 0.091 0.000 2.347 1100 E HA -0.067 4.283 4.350 0.000 0.000 0.196 1100 E C 1.856 178.497 176.600 0.068 0.000 1.008 1100 E CA 0.369 56.795 56.400 0.044 0.000 0.852 1100 E CB 0.022 29.731 29.700 0.016 0.000 0.783 1100 E HN 0.536 nan 8.360 nan 0.000 0.505 1101 R N -0.211 120.350 120.500 0.101 0.000 2.127 1101 R HA 0.051 4.391 4.340 0.000 0.000 0.217 1101 R C 1.370 177.740 176.300 0.117 0.000 1.074 1101 R CA 0.630 56.789 56.100 0.097 0.000 0.991 1101 R CB -0.103 30.253 30.300 0.094 0.000 0.895 1101 R HN 0.222 nan 8.270 nan 0.000 0.450 1102 C N 0.014 119.400 119.300 0.144 0.000 2.478 1102 C HA 0.383 4.843 4.460 0.000 0.000 0.379 1102 C C 1.071 176.216 174.990 0.257 0.000 1.470 1102 C CA -0.944 58.168 59.018 0.158 0.000 2.066 1102 C CB 0.583 28.404 27.740 0.134 0.000 2.001 1102 C HN 0.291 nan 8.230 nan 0.000 0.550 1103 N N -0.413 118.439 118.700 0.254 0.000 3.170 1103 N HA 0.107 4.847 4.740 0.000 0.000 0.235 1103 N C 0.634 176.324 175.510 0.300 0.000 1.037 1103 N CA 0.379 53.631 53.050 0.337 0.000 1.160 1103 N CB 0.157 38.696 38.487 0.087 0.000 1.606 1103 N HN 0.893 nan 8.380 nan 0.000 0.580 1104 E N -0.511 119.813 120.200 0.207 0.000 2.933 1104 E HA 0.164 4.514 4.350 0.000 0.000 0.175 1104 E C -2.768 173.855 176.600 0.039 0.000 0.932 1104 E CA -0.683 55.934 56.400 0.361 0.000 1.340 1104 E CB 0.117 30.231 29.700 0.689 0.000 1.025 1104 E HN 0.203 nan 8.360 nan 0.000 0.461 1105 P HA 0.332 nan 4.420 nan 0.000 0.277 1105 P C 0.229 177.272 177.300 -0.428 0.000 1.354 1105 P CA 1.004 63.979 63.100 -0.208 0.000 0.891 1105 P CB 0.758 32.395 31.700 -0.107 0.000 1.058 1106 A N 3.340 125.802 122.820 -0.596 0.000 6.643 1106 A HA -0.153 4.167 4.320 0.000 0.000 0.230 1106 A C 0.447 177.443 177.584 -0.980 0.000 2.273 1106 A CA 0.124 51.774 52.037 -0.646 0.000 0.690 1106 A CB -2.006 16.795 19.000 -0.332 0.000 0.908 1106 A HN 0.625 nan 8.150 nan 0.000 0.366 1107 V N -1.957 117.613 119.914 -0.573 0.000 6.125 1107 V HA -0.273 3.847 4.120 0.000 0.000 0.281 1107 V C 1.009 177.028 176.094 -0.125 0.000 0.591 1107 V CA 2.552 64.636 62.300 -0.360 0.000 0.617 1107 V CB -2.136 29.542 31.823 -0.242 0.000 0.336 1107 V HN 1.130 nan 8.190 nan 0.000 0.650 1108 W N -0.606 120.698 121.300 0.008 0.000 2.842 1108 W HA 0.104 4.764 4.660 0.000 0.000 0.267 1108 W C 2.164 178.675 176.519 -0.013 0.000 1.219 1108 W CA 0.502 57.851 57.345 0.007 0.000 1.458 1108 W CB 0.329 29.799 29.460 0.017 0.000 1.006 1108 W HN 0.448 nan 8.180 nan 0.000 0.603 1109 S N -0.065 115.765 115.700 0.217 0.000 2.470 1109 S HA -0.120 4.350 4.470 0.000 0.000 0.222 1109 S C 1.621 176.246 174.600 0.041 0.000 1.024 1109 S CA 0.784 59.035 58.200 0.084 0.000 0.931 1109 S CB 0.006 63.228 63.200 0.038 0.000 0.791 1109 S HN 0.262 nan 8.310 nan 0.000 0.513 1110 Q N 0.071 119.904 119.800 0.055 0.000 2.376 1110 Q HA 0.146 4.486 4.340 0.000 0.000 0.206 1110 Q C 1.948 177.981 176.000 0.055 0.000 0.921 1110 Q CA 0.371 56.194 55.803 0.032 0.000 0.911 1110 Q CB -0.080 28.668 28.738 0.016 0.000 1.032 1110 Q HN 0.511 nan 8.270 nan 0.000 0.510 1111 L N 0.273 121.559 121.223 0.106 0.000 2.240 1111 L HA 0.108 4.448 4.340 0.000 0.000 0.211 1111 L C 1.880 178.812 176.870 0.104 0.000 1.106 1111 L CA 1.663 56.584 54.840 0.134 0.000 0.793 1111 L CB -0.810 41.396 42.059 0.244 0.000 0.927 1111 L HN 0.284 nan 8.230 nan 0.000 0.446 1112 A N -0.086 122.783 122.820 0.082 0.000 2.067 1112 A HA -0.170 4.150 4.320 0.000 0.000 0.217 1112 A C 2.337 179.918 177.584 -0.004 0.000 1.156 1112 A CA 1.165 53.214 52.037 0.020 0.000 0.683 1112 A CB -0.262 18.730 19.000 -0.013 0.000 0.808 1112 A HN 0.436 nan 8.150 nan 0.000 0.455 1113 K N -0.630 119.770 120.400 0.001 0.000 2.243 1113 K HA 0.158 4.478 4.320 0.000 0.000 0.201 1113 K C 1.870 178.473 176.600 0.004 0.000 1.051 1113 K CA 0.829 57.110 56.287 -0.010 0.000 0.970 1113 K CB -0.100 32.390 32.500 -0.017 0.000 0.755 1113 K HN 0.375 nan 8.250 nan 0.000 0.465 1114 A N 0.018 122.851 122.820 0.021 0.000 1.997 1114 A HA 0.020 4.340 4.320 0.000 0.000 0.212 1114 A C 1.723 179.324 177.584 0.028 0.000 1.178 1114 A CA 0.446 52.500 52.037 0.029 0.000 0.698 1114 A CB 0.068 19.095 19.000 0.044 0.000 0.842 1114 A HN 0.163 nan 8.150 nan 0.000 0.458 1115 Q N -0.616 119.201 119.800 0.029 0.000 2.403 1115 Q HA 0.184 4.524 4.340 0.000 0.000 0.203 1115 Q C 1.055 177.050 176.000 -0.009 0.000 0.932 1115 Q CA 0.336 56.150 55.803 0.018 0.000 0.945 1115 Q CB 0.515 29.273 28.738 0.034 0.000 1.045 1115 Q HN 0.452 nan 8.270 nan 0.000 0.511 1116 L N -0.546 120.669 121.223 -0.013 0.000 2.609 1116 L HA 0.122 4.462 4.340 0.000 0.000 0.230 1116 L C 1.250 178.107 176.870 -0.021 0.000 1.087 1116 L CA 0.881 55.704 54.840 -0.028 0.000 0.874 1116 L CB 0.218 42.255 42.059 -0.037 0.000 1.114 1116 L HN 0.205 nan 8.230 nan 0.000 0.488 1117 Q N -0.359 119.435 119.800 -0.010 0.000 2.317 1117 Q HA 0.113 4.453 4.340 0.000 0.000 0.220 1117 Q C -0.132 175.866 176.000 -0.004 0.000 0.873 1117 Q CA 0.213 56.013 55.803 -0.006 0.000 0.936 1117 Q CB 0.973 29.712 28.738 0.000 0.000 1.105 1117 Q HN 0.228 nan 8.270 nan 0.000 0.520 1118 K N 1.033 121.431 120.400 -0.003 0.000 2.579 1118 K HA 0.502 4.822 4.320 0.000 0.000 0.225 1118 K C -0.268 176.319 176.600 -0.021 0.000 0.992 1118 K CA -0.202 56.083 56.287 -0.003 0.000 1.018 1118 K CB 1.596 34.105 32.500 0.015 0.000 1.249 1118 K HN 0.204 nan 8.250 nan 0.000 0.489 1119 G N 2.465 111.245 108.800 -0.033 0.000 2.760 1119 G HA2 -0.253 3.707 3.960 0.000 0.000 0.246 1119 G HA3 -0.253 3.707 3.960 0.000 0.000 0.246 1119 G C -0.744 174.124 174.900 -0.053 0.000 1.359 1119 G CA -0.596 44.471 45.100 -0.054 0.000 0.861 1119 G HN 0.557 nan 8.290 nan 0.000 0.541 1120 M N 0.852 120.413 119.600 -0.065 0.000 2.018 1120 M HA 0.633 5.113 4.480 0.000 0.000 0.311 1120 M C -0.289 175.971 176.300 -0.068 0.000 0.928 1120 M CA -0.765 54.498 55.300 -0.062 0.000 0.911 1120 M CB 1.284 33.850 32.600 -0.057 0.000 1.447 1120 M HN 0.648 nan 8.290 nan 0.000 0.407 1121 V N 3.949 123.826 119.914 -0.062 0.000 3.141 1121 V HA -0.032 4.088 4.120 0.000 0.000 0.225 1121 V C 1.601 177.662 176.094 -0.054 0.000 1.352 1121 V CA 0.921 63.187 62.300 -0.057 0.000 1.316 1121 V CB -0.120 31.675 31.823 -0.047 0.000 1.126 1121 V HN 0.933 nan 8.190 nan 0.000 0.493 1122 K N 1.908 122.273 120.400 -0.058 0.000 2.804 1122 K HA -0.481 3.839 4.320 0.000 0.000 0.201 1122 K C 1.706 178.249 176.600 -0.095 0.000 0.908 1122 K CA 2.891 59.129 56.287 -0.081 0.000 0.855 1122 K CB -1.091 31.341 32.500 -0.113 0.000 1.395 1122 K HN 0.587 nan 8.250 nan 0.000 0.537 1123 E N 0.924 121.072 120.200 -0.088 0.000 2.147 1123 E HA -0.254 4.096 4.350 0.000 0.000 0.199 1123 E C 1.909 178.494 176.600 -0.024 0.000 1.005 1123 E CA 1.594 57.956 56.400 -0.064 0.000 0.810 1123 E CB -0.119 29.547 29.700 -0.056 0.000 0.736 1123 E HN 0.597 nan 8.360 nan 0.000 0.460 1124 A N 0.198 123.005 122.820 -0.023 0.000 1.920 1124 A HA 0.048 4.368 4.320 0.000 0.000 0.209 1124 A C 1.895 179.499 177.584 0.033 0.000 1.229 1124 A CA 0.278 52.314 52.037 -0.001 0.000 0.671 1124 A CB -0.117 18.868 19.000 -0.026 0.000 0.886 1124 A HN 0.307 nan 8.150 nan 0.000 0.461 1125 I N 0.097 120.679 120.570 0.020 0.000 3.444 1125 I HA -0.008 4.162 4.170 0.000 0.000 0.287 1125 I C 0.586 176.701 176.117 -0.002 0.000 1.302 1125 I CA 1.055 62.389 61.300 0.057 0.000 1.368 1125 I CB -0.106 37.930 38.000 0.060 0.000 1.048 1125 I HN 0.240 nan 8.210 nan 0.000 0.487 1126 D N -1.855 118.514 120.400 -0.053 0.000 2.469 1126 D HA 0.172 4.812 4.640 0.000 0.000 0.215 1126 D C 1.270 177.582 176.300 0.020 0.000 1.154 1126 D CA 0.267 54.172 54.000 -0.158 0.000 0.832 1126 D CB 0.455 41.073 40.800 -0.304 0.000 1.008 1126 D HN 0.071 nan 8.370 nan 0.000 0.506 1127 S N -0.905 114.861 115.700 0.110 0.000 2.846 1127 S HA 0.141 4.611 4.470 0.000 0.000 0.249 1127 S C -0.284 174.451 174.600 0.226 0.000 1.028 1127 S CA -0.409 57.914 58.200 0.205 0.000 1.043 1127 S CB -0.003 63.290 63.200 0.156 0.000 0.990 1127 S HN 0.258 nan 8.310 nan 0.000 0.564 1128 Y N 1.273 121.569 120.300 -0.007 0.000 2.888 1128 Y HA 0.410 4.960 4.550 0.000 0.000 0.260 1128 Y C 0.442 176.349 175.900 0.012 0.000 1.113 1128 Y CA -0.473 57.636 58.100 0.015 0.000 1.237 1128 Y CB 0.528 39.021 38.460 0.056 0.000 1.307 1128 Y HN 0.452 nan 8.280 nan 0.000 0.580 1129 I N -3.340 117.099 120.570 -0.219 0.000 4.670 1129 I HA 0.343 4.513 4.170 0.000 0.000 0.339 1129 I C 0.386 175.871 176.117 -1.053 0.000 1.310 1129 I CA -0.313 60.519 61.300 -0.779 0.000 1.288 1129 I CB 0.350 36.917 38.000 -2.388 0.000 1.427 1129 I HN -0.133 nan 8.210 nan 0.000 0.494 1130 K N 2.912 123.003 120.400 -0.517 0.000 2.155 1130 K HA 0.568 4.888 4.320 0.000 0.000 0.240 1130 K C 0.329 176.795 176.600 -0.223 0.000 1.193 1130 K CA 0.393 56.477 56.287 -0.339 0.000 1.104 1130 K CB 0.491 32.888 32.500 -0.172 0.000 1.558 1130 K HN 0.490 nan 8.250 nan 0.000 0.313 1131 A N 2.933 125.694 122.820 -0.099 0.000 2.195 1131 A HA 0.019 4.339 4.320 0.000 0.000 0.212 1131 A C 1.347 178.991 177.584 0.100 0.000 2.368 1131 A CA 0.492 52.542 52.037 0.021 0.000 1.424 1131 A CB -0.473 18.576 19.000 0.081 0.000 1.095 1131 A HN 0.767 nan 8.150 nan 0.000 0.516 1132 D N 1.007 121.554 120.400 0.245 0.000 2.182 1132 D HA -0.079 4.561 4.640 0.000 0.000 0.193 1132 D C -0.067 176.355 176.300 0.203 0.000 0.999 1132 D CA 1.951 56.078 54.000 0.212 0.000 0.850 1132 D CB -0.735 40.201 40.800 0.226 0.000 0.994 1132 D HN 0.564 nan 8.370 nan 0.000 0.450 1133 D N -3.539 117.074 120.400 0.356 0.000 2.912 1133 D HA 0.399 5.039 4.640 0.000 0.000 0.263 1133 D C -3.030 173.531 176.300 0.435 0.000 1.152 1133 D CA -1.241 52.913 54.000 0.256 0.000 0.728 1133 D CB 1.587 42.491 40.800 0.174 0.000 1.337 1133 D HN 0.104 nan 8.370 nan 0.000 0.435 1134 P HA 0.732 nan 4.420 nan 0.000 0.332 1134 P C -0.981 176.411 177.300 0.154 0.000 1.233 1134 P CA -0.612 62.603 63.100 0.193 0.000 0.836 1134 P CB 2.322 34.014 31.700 -0.013 0.000 1.369 1135 S N -2.388 113.377 115.700 0.108 0.000 2.680 1135 S HA 0.652 5.122 4.470 0.000 0.000 0.276 1135 S C -1.305 173.286 174.600 -0.015 0.000 1.189 1135 S CA 0.206 58.443 58.200 0.062 0.000 0.909 1135 S CB 0.012 63.251 63.200 0.064 0.000 1.227 1135 S HN 0.800 nan 8.310 nan 0.000 0.501 1136 S N -1.030 114.602 115.700 -0.115 0.000 4.122 1136 S HA 0.113 4.583 4.470 0.000 0.000 0.650 1136 S C -0.156 174.304 174.600 -0.235 0.000 1.049 1136 S CA 0.983 58.986 58.200 -0.328 0.000 1.216 1136 S CB -1.744 61.330 63.200 -0.209 0.000 0.338 1136 S HN 2.311 nan 8.310 nan 0.000 1.492 1137 Y N -1.424 118.917 120.300 0.069 0.000 2.831 1137 Y HA -0.429 4.121 4.550 0.000 0.000 0.469 1137 Y C 1.659 177.584 175.900 0.042 0.000 1.152 1137 Y CA 1.991 60.138 58.100 0.078 0.000 2.680 1137 Y CB -1.973 36.561 38.460 0.124 0.000 1.183 1137 Y HN 0.831 nan 8.280 nan 0.000 0.623 1138 M N 0.863 120.711 119.600 0.413 0.000 2.116 1138 M HA -0.309 4.171 4.480 0.000 0.000 0.255 1138 M C 2.200 178.545 176.300 0.076 0.000 1.075 1138 M CA 2.674 58.096 55.300 0.202 0.000 1.087 1138 M CB -0.387 32.342 32.600 0.216 0.000 1.340 1138 M HN 0.743 nan 8.290 nan 0.000 0.402 1139 E N -0.533 119.675 120.200 0.013 0.000 2.023 1139 E HA -0.211 4.139 4.350 0.000 0.000 0.196 1139 E C 1.723 178.292 176.600 -0.052 0.000 1.003 1139 E CA 2.309 58.686 56.400 -0.038 0.000 0.809 1139 E CB -0.140 29.503 29.700 -0.096 0.000 0.755 1139 E HN 0.471 nan 8.360 nan 0.000 0.449 1140 V N 0.709 120.581 119.914 -0.070 0.000 2.295 1140 V HA -0.249 3.871 4.120 0.000 0.000 0.246 1140 V C 2.512 178.561 176.094 -0.076 0.000 1.049 1140 V CA 1.499 63.744 62.300 -0.091 0.000 1.024 1140 V CB -0.483 31.275 31.823 -0.108 0.000 0.648 1140 V HN 0.214 nan 8.190 nan 0.000 0.447 1141 V N 0.087 119.985 119.914 -0.027 0.000 2.220 1141 V HA -0.386 3.734 4.120 0.000 0.000 0.250 1141 V C 2.564 178.650 176.094 -0.014 0.000 1.053 1141 V CA 2.637 64.936 62.300 -0.002 0.000 1.019 1141 V CB -0.907 30.942 31.823 0.044 0.000 0.646 1141 V HN 0.581 nan 8.190 nan 0.000 0.455 1142 Q N 0.182 119.982 119.800 0.000 0.000 2.077 1142 Q HA -0.262 4.078 4.340 0.000 0.000 0.206 1142 Q C 2.286 178.262 176.000 -0.040 0.000 0.989 1142 Q CA 2.665 58.468 55.803 0.000 0.000 0.853 1142 Q CB -0.736 28.010 28.738 0.012 0.000 0.907 1142 Q HN 0.618 nan 8.270 nan 0.000 0.418 1143 A N 1.187 123.971 122.820 -0.060 0.000 1.896 1143 A HA -0.123 4.197 4.320 0.000 0.000 0.220 1143 A C 1.451 178.945 177.584 -0.151 0.000 1.206 1143 A CA 1.901 53.882 52.037 -0.094 0.000 0.647 1143 A CB -1.191 17.750 19.000 -0.098 0.000 0.828 1143 A HN 0.535 nan 8.150 nan 0.000 0.455 1144 A N -0.470 122.245 122.820 -0.177 0.000 2.545 1144 A HA 0.479 4.799 4.320 0.000 0.000 0.297 1144 A C 0.587 177.969 177.584 -0.337 0.000 1.340 1144 A CA 0.577 52.453 52.037 -0.269 0.000 1.016 1144 A CB -0.602 18.252 19.000 -0.243 0.000 1.122 1144 A HN 0.763 nan 8.150 nan 0.000 0.537 1145 N N 0.381 118.770 118.700 -0.518 0.000 2.505 1145 N HA -0.196 4.544 4.740 0.000 0.000 0.300 1145 N C 1.591 176.762 175.510 -0.566 0.000 0.797 1145 N CA 1.020 53.706 53.050 -0.608 0.000 1.111 1145 N CB -0.519 37.924 38.487 -0.073 0.000 2.337 1145 N HN 0.571 nan 8.380 nan 0.000 1.254 1146 T N -0.817 113.585 114.554 -0.252 0.000 2.701 1146 T HA 0.049 4.399 4.350 0.000 0.000 0.263 1146 T C 1.665 176.259 174.700 -0.176 0.000 1.040 1146 T CA 1.876 63.920 62.100 -0.094 0.000 1.147 1146 T CB -0.680 68.165 68.868 -0.039 0.000 0.865 1146 T HN 0.103 nan 8.240 nan 0.000 0.426 1147 S N 0.971 116.521 115.700 -0.250 0.000 2.571 1147 S HA 0.253 4.724 4.470 0.000 0.000 0.245 1147 S C 1.669 176.105 174.600 -0.274 0.000 0.976 1147 S CA 0.765 58.844 58.200 -0.203 0.000 0.954 1147 S CB -1.000 62.088 63.200 -0.185 0.000 0.756 1147 S HN 1.186 nan 8.310 nan 0.000 0.535 1148 G N 1.925 110.299 108.800 -0.711 0.000 2.149 1148 G HA2 -0.228 3.732 3.960 0.000 0.000 0.235 1148 G HA3 -0.228 3.732 3.960 0.000 0.000 0.235 1148 G C -0.232 174.284 174.900 -0.639 0.000 1.018 1148 G CA -0.246 44.293 45.100 -0.935 0.000 0.728 1148 G HN 0.482 nan 8.290 nan 0.000 0.508 1149 N N 0.991 119.212 118.700 -0.799 0.000 3.245 1149 N HA 0.260 5.000 4.740 0.000 0.000 0.296 1149 N C 1.118 176.398 175.510 -0.383 0.000 1.254 1149 N CA -0.262 52.558 53.050 -0.384 0.000 1.190 1149 N CB -0.023 38.275 38.487 -0.315 0.000 1.460 1149 N HN 0.596 nan 8.380 nan 0.000 0.538 1150 W N 0.379 121.694 121.300 0.024 0.000 2.857 1150 W HA 0.085 4.745 4.660 0.000 0.000 0.301 1150 W C 1.976 178.520 176.519 0.042 0.000 1.047 1150 W CA -0.148 57.217 57.345 0.033 0.000 1.671 1150 W CB -0.843 28.633 29.460 0.027 0.000 1.225 1150 W HN 0.344 nan 8.180 nan 0.000 0.501 1151 E N 0.752 121.152 120.200 0.333 0.000 2.271 1151 E HA -0.303 4.047 4.350 0.000 0.000 0.209 1151 E C 1.528 178.207 176.600 0.132 0.000 1.046 1151 E CA 2.232 58.743 56.400 0.185 0.000 0.840 1151 E CB 0.097 29.884 29.700 0.145 0.000 0.738 1151 E HN 0.106 nan 8.360 nan 0.000 0.470 1152 E N -0.214 120.068 120.200 0.137 0.000 2.190 1152 E HA -0.035 4.315 4.350 0.000 0.000 0.191 1152 E C 1.713 178.448 176.600 0.225 0.000 0.978 1152 E CA 0.422 56.911 56.400 0.148 0.000 0.839 1152 E CB -0.192 29.602 29.700 0.158 0.000 0.787 1152 E HN 0.281 nan 8.360 nan 0.000 0.473 1153 L N 0.612 121.934 121.223 0.164 0.000 1.989 1153 L HA -0.172 4.168 4.340 0.000 0.000 0.211 1153 L C 1.961 178.927 176.870 0.160 0.000 1.071 1153 L CA 1.682 56.596 54.840 0.123 0.000 0.749 1153 L CB -0.693 41.370 42.059 0.006 0.000 0.890 1153 L HN 0.093 nan 8.230 nan 0.000 0.431 1154 V N -1.481 118.523 119.914 0.151 0.000 2.469 1154 V HA -0.279 3.841 4.120 0.000 0.000 0.251 1154 V C 2.621 178.769 176.094 0.090 0.000 1.064 1154 V CA 2.237 64.612 62.300 0.125 0.000 1.066 1154 V CB -1.330 30.564 31.823 0.118 0.000 0.667 1154 V HN 0.527 nan 8.190 nan 0.000 0.461 1155 K N -1.041 119.409 120.400 0.084 0.000 2.167 1155 K HA -0.065 4.255 4.320 0.000 0.000 0.203 1155 K C 2.102 178.705 176.600 0.005 0.000 1.052 1155 K CA 0.939 57.238 56.287 0.020 0.000 0.956 1155 K CB -0.252 32.239 32.500 -0.014 0.000 0.735 1155 K HN 0.491 nan 8.250 nan 0.000 0.451 1156 Y N 0.970 121.255 120.300 -0.025 0.000 2.315 1156 Y HA -0.199 4.351 4.550 0.000 0.000 0.288 1156 Y C 1.598 177.474 175.900 -0.039 0.000 1.154 1156 Y CA 1.288 59.361 58.100 -0.045 0.000 1.229 1156 Y CB 0.111 38.537 38.460 -0.056 0.000 0.980 1156 Y HN 0.037 nan 8.280 nan 0.000 0.540 1157 L N -0.868 120.428 121.223 0.121 0.000 2.307 1157 L HA -0.116 4.224 4.340 0.000 0.000 0.211 1157 L C 2.419 179.299 176.870 0.017 0.000 1.099 1157 L CA 0.806 55.685 54.840 0.065 0.000 0.816 1157 L CB -0.714 41.383 42.059 0.064 0.000 0.952 1157 L HN 0.145 nan 8.230 nan 0.000 0.455 1158 Q N 0.908 120.707 119.800 -0.002 0.000 2.242 1158 Q HA -0.268 4.072 4.340 0.000 0.000 0.211 1158 Q C 1.378 177.357 176.000 -0.035 0.000 0.992 1158 Q CA 1.899 57.683 55.803 -0.031 0.000 0.889 1158 Q CB -0.018 28.692 28.738 -0.048 0.000 0.913 1158 Q HN 0.366 nan 8.270 nan 0.000 0.422 1159 M N -0.725 118.853 119.600 -0.037 0.000 2.631 1159 M HA 0.210 4.690 4.480 0.000 0.000 0.241 1159 M C 0.624 176.916 176.300 -0.014 0.000 1.255 1159 M CA 0.254 55.533 55.300 -0.035 0.000 0.983 1159 M CB 0.725 33.290 32.600 -0.057 0.000 1.580 1159 M HN 0.318 nan 8.290 nan 0.000 0.464 1160 A N -0.928 121.887 122.820 -0.009 0.000 2.074 1160 A HA 0.230 4.550 4.320 0.000 0.000 0.200 1160 A C 2.231 179.805 177.584 -0.016 0.000 1.335 1160 A CA 0.090 52.123 52.037 -0.006 0.000 0.922 1160 A CB 0.253 19.252 19.000 -0.002 0.000 0.972 1160 A HN 0.304 nan 8.150 nan 0.000 0.475 1161 R N 1.129 121.619 120.500 -0.017 0.000 2.057 1161 R HA -0.116 4.224 4.340 0.000 0.000 0.229 1161 R C 2.007 178.299 176.300 -0.013 0.000 1.136 1161 R CA 1.668 57.758 56.100 -0.016 0.000 0.952 1161 R CB -0.433 29.857 30.300 -0.016 0.000 0.848 1161 R HN 0.644 nan 8.270 nan 0.000 0.430 1162 K N 0.946 121.337 120.400 -0.015 0.000 2.189 1162 K HA -0.208 4.112 4.320 0.000 0.000 0.207 1162 K C 1.264 177.861 176.600 -0.005 0.000 1.046 1162 K CA 1.929 58.209 56.287 -0.011 0.000 0.928 1162 K CB -0.089 32.401 32.500 -0.016 0.000 0.720 1162 K HN 0.150 nan 8.250 nan 0.000 0.458 1163 K N -1.463 118.935 120.400 -0.003 0.000 2.550 1163 K HA 0.321 4.641 4.320 0.000 0.000 0.205 1163 K C 1.223 177.827 176.600 0.006 0.000 1.429 1163 K CA 0.511 56.800 56.287 0.004 0.000 0.997 1163 K CB 0.900 33.404 32.500 0.006 0.000 1.328 1163 K HN 0.119 nan 8.250 nan 0.000 0.546 1164 A N 1.059 123.877 122.820 -0.003 0.000 2.653 1164 A HA 0.207 4.527 4.320 0.000 0.000 0.248 1164 A C 0.220 177.780 177.584 -0.039 0.000 1.211 1164 A CA -0.300 51.730 52.037 -0.011 0.000 0.991 1164 A CB 0.023 19.018 19.000 -0.008 0.000 1.252 1164 A HN 0.145 nan 8.150 nan 0.000 0.593 1165 R N 2.063 122.545 120.500 -0.030 0.000 4.326 1165 R HA -0.095 4.245 4.340 0.000 0.000 0.141 1165 R C 0.072 176.339 176.300 -0.055 0.000 0.356 1165 R CA 1.656 57.736 56.100 -0.033 0.000 0.851 1165 R CB -0.618 29.677 30.300 -0.008 0.000 1.039 1165 R HN 0.616 nan 8.270 nan 0.000 0.246 1166 E N 2.087 122.215 120.200 -0.120 0.000 2.447 1166 E HA 0.108 4.458 4.350 0.000 0.000 0.279 1166 E C -0.604 175.848 176.600 -0.247 0.000 1.053 1166 E CA -0.192 56.093 56.400 -0.191 0.000 0.840 1166 E CB 0.985 30.483 29.700 -0.338 0.000 1.409 1166 E HN 0.351 nan 8.360 nan 0.000 0.461 1167 S N 0.290 115.881 115.700 -0.181 0.000 2.363 1167 S HA -0.235 4.235 4.470 0.000 0.000 0.218 1167 S C 1.968 176.567 174.600 -0.001 0.000 1.035 1167 S CA 2.183 60.378 58.200 -0.008 0.000 1.043 1167 S CB -0.972 62.394 63.200 0.277 0.000 0.986 1167 S HN 0.557 nan 8.310 nan 0.000 0.423 1168 Y N 0.790 121.107 120.300 0.029 0.000 2.446 1168 Y HA 0.072 4.622 4.550 0.000 0.000 0.287 1168 Y C 1.948 177.872 175.900 0.040 0.000 1.159 1168 Y CA 0.674 58.779 58.100 0.009 0.000 1.297 1168 Y CB -1.127 37.327 38.460 -0.011 0.000 0.974 1168 Y HN 0.158 nan 8.280 nan 0.000 0.557 1169 V N 0.162 119.829 119.914 -0.412 0.000 3.219 1169 V HA -0.037 4.083 4.120 0.000 0.000 0.240 1169 V C 2.226 178.257 176.094 -0.106 0.000 1.222 1169 V CA 0.935 63.107 62.300 -0.213 0.000 1.181 1169 V CB 0.372 32.026 31.823 -0.282 0.000 0.941 1169 V HN 0.463 nan 8.190 nan 0.000 0.471 1170 E N 0.064 120.190 120.200 -0.124 0.000 2.099 1170 E HA -0.117 4.233 4.350 0.000 0.000 0.191 1170 E C 1.859 178.500 176.600 0.069 0.000 0.962 1170 E CA 1.407 57.803 56.400 -0.008 0.000 0.826 1170 E CB -0.426 29.270 29.700 -0.005 0.000 0.788 1170 E HN 0.365 nan 8.360 nan 0.000 0.461 1171 T N 0.821 115.405 114.554 0.050 0.000 2.946 1171 T HA -0.100 4.250 4.350 0.000 0.000 0.271 1171 T C 1.210 176.005 174.700 0.158 0.000 1.104 1171 T CA 1.575 63.751 62.100 0.127 0.000 1.114 1171 T CB -0.104 68.844 68.868 0.133 0.000 0.867 1171 T HN 0.166 nan 8.240 nan 0.000 0.513 1172 E N 0.449 120.707 120.200 0.097 0.000 2.122 1172 E HA 0.114 4.464 4.350 0.000 0.000 0.190 1172 E C 1.859 178.575 176.600 0.194 0.000 0.977 1172 E CA 0.115 56.591 56.400 0.126 0.000 0.820 1172 E CB -0.417 29.317 29.700 0.058 0.000 0.770 1172 E HN 0.278 nan 8.360 nan 0.000 0.462 1173 L N 0.692 122.004 121.223 0.148 0.000 2.017 1173 L HA -0.121 4.219 4.340 0.000 0.000 0.208 1173 L C 1.850 178.866 176.870 0.245 0.000 1.073 1173 L CA 1.586 56.517 54.840 0.153 0.000 0.745 1173 L CB -0.497 41.619 42.059 0.095 0.000 0.894 1173 L HN 0.142 nan 8.230 nan 0.000 0.432 1174 I N -1.499 119.262 120.570 0.318 0.000 2.076 1174 I HA -0.346 3.824 4.170 0.000 0.000 0.237 1174 I C 2.349 178.658 176.117 0.320 0.000 1.059 1174 I CA 1.796 63.351 61.300 0.425 0.000 1.317 1174 I CB -0.666 37.503 38.000 0.282 0.000 1.037 1174 I HN 0.190 nan 8.210 nan 0.000 0.398 1175 F N 1.393 121.413 119.950 0.117 0.000 2.043 1175 F HA -0.365 4.162 4.527 0.000 0.000 0.297 1175 F C 2.593 178.463 175.800 0.116 0.000 1.118 1175 F CA 1.994 60.048 58.000 0.091 0.000 1.202 1175 F CB -0.676 38.374 39.000 0.084 0.000 0.965 1175 F HN 0.066 nan 8.300 nan 0.000 0.482 1176 A N 0.088 123.112 122.820 0.340 0.000 1.865 1176 A HA -0.195 4.125 4.320 0.000 0.000 0.217 1176 A C 2.310 180.009 177.584 0.191 0.000 1.191 1176 A CA 1.953 54.144 52.037 0.256 0.000 0.623 1176 A CB -1.251 17.881 19.000 0.220 0.000 0.826 1176 A HN 0.443 nan 8.150 nan 0.000 0.444 1177 L N -0.774 120.567 121.223 0.197 0.000 2.013 1177 L HA -0.273 4.067 4.340 0.000 0.000 0.212 1177 L C 3.133 180.089 176.870 0.144 0.000 1.073 1177 L CA 1.212 56.157 54.840 0.175 0.000 0.753 1177 L CB -0.755 41.451 42.059 0.245 0.000 0.890 1177 L HN 0.476 nan 8.230 nan 0.000 0.432 1178 A N 1.116 124.010 122.820 0.123 0.000 1.971 1178 A HA -0.254 4.066 4.320 0.000 0.000 0.222 1178 A C 1.935 179.500 177.584 -0.033 0.000 1.182 1178 A CA 2.351 54.388 52.037 -0.000 0.000 0.649 1178 A CB -0.571 18.346 19.000 -0.138 0.000 0.818 1178 A HN 0.620 nan 8.150 nan 0.000 0.458 1179 K N -1.492 118.901 120.400 -0.012 0.000 2.675 1179 K HA 0.341 4.661 4.320 0.000 0.000 0.213 1179 K C 0.205 176.788 176.600 -0.028 0.000 1.074 1179 K CA 0.553 56.815 56.287 -0.041 0.000 1.172 1179 K CB 0.368 32.846 32.500 -0.038 0.000 0.927 1179 K HN 0.225 nan 8.250 nan 0.000 0.471 1180 T N -0.184 114.377 114.554 0.013 0.000 3.409 1180 T HA 0.064 4.414 4.350 0.000 0.000 0.242 1180 T C -0.436 174.272 174.700 0.014 0.000 1.000 1180 T CA 0.109 62.231 62.100 0.037 0.000 1.180 1180 T CB 0.138 69.062 68.868 0.093 0.000 1.210 1180 T HN 0.522 nan 8.240 nan 0.000 0.373 1181 N N 0.202 118.915 118.700 0.022 0.000 2.853 1181 N HA 0.520 5.260 4.740 0.000 0.000 0.258 1181 N C -0.395 175.126 175.510 0.017 0.000 1.444 1181 N CA -0.889 52.166 53.050 0.008 0.000 0.837 1181 N CB 1.643 40.132 38.487 0.003 0.000 1.489 1181 N HN 0.083 nan 8.380 nan 0.000 0.529 1182 R N -1.398 119.107 120.500 0.008 0.000 2.725 1182 R HA 0.200 4.540 4.340 0.000 0.000 0.207 1182 R C 1.362 177.667 176.300 0.008 0.000 0.924 1182 R CA -0.311 55.799 56.100 0.017 0.000 1.098 1182 R CB -0.319 29.983 30.300 0.003 0.000 1.602 1182 R HN 0.302 nan 8.270 nan 0.000 0.615 1183 L N 1.644 122.864 121.223 -0.005 0.000 1.963 1183 L HA -0.106 4.235 4.340 0.000 0.000 0.220 1183 L C 1.714 178.574 176.870 -0.016 0.000 1.076 1183 L CA 2.564 57.398 54.840 -0.011 0.000 0.772 1183 L CB -0.455 41.594 42.059 -0.016 0.000 0.892 1183 L HN 0.202 nan 8.230 nan 0.000 0.435 1184 A N -1.741 121.060 122.820 -0.033 0.000 2.379 1184 A HA 0.090 4.410 4.320 0.000 0.000 0.236 1184 A C 1.682 179.216 177.584 -0.084 0.000 1.272 1184 A CA 0.139 52.146 52.037 -0.050 0.000 0.886 1184 A CB -0.694 18.269 19.000 -0.061 0.000 0.962 1184 A HN 0.566 nan 8.150 nan 0.000 0.504 1185 E N 0.195 120.362 120.200 -0.055 0.000 2.335 1185 E HA 0.209 4.559 4.350 0.000 0.000 0.191 1185 E C 0.029 176.703 176.600 0.122 0.000 1.150 1185 E CA 0.196 56.558 56.400 -0.063 0.000 1.001 1185 E CB -0.124 29.602 29.700 0.043 0.000 1.127 1185 E HN 0.611 nan 8.360 nan 0.000 0.462 1186 L N -0.425 120.843 121.223 0.075 0.000 3.902 1186 L HA 0.158 4.498 4.340 0.000 0.000 0.375 1186 L C 0.928 177.842 176.870 0.073 0.000 1.252 1186 L CA -0.042 54.890 54.840 0.153 0.000 1.221 1186 L CB 0.602 42.718 42.059 0.095 0.000 1.484 1186 L HN -0.020 nan 8.230 nan 0.000 0.620 1187 E N 0.615 120.822 120.200 0.012 0.000 2.372 1187 E HA -0.052 4.298 4.350 0.000 0.000 0.201 1187 E C 1.627 178.219 176.600 -0.013 0.000 0.938 1187 E CA 0.668 57.066 56.400 -0.003 0.000 0.944 1187 E CB 0.698 30.384 29.700 -0.022 0.000 0.937 1187 E HN 0.237 nan 8.360 nan 0.000 0.495 1188 E N -1.056 119.106 120.200 -0.064 0.000 2.431 1188 E HA 0.110 4.460 4.350 0.000 0.000 0.200 1188 E C 0.417 177.002 176.600 -0.026 0.000 0.995 1188 E CA 0.057 56.409 56.400 -0.080 0.000 0.915 1188 E CB -0.241 29.366 29.700 -0.156 0.000 0.930 1188 E HN 0.164 nan 8.360 nan 0.000 0.496 1189 F N 0.320 120.265 119.950 -0.009 0.000 2.724 1189 F HA 0.102 4.630 4.527 0.000 0.000 0.297 1189 F C 1.679 177.475 175.800 -0.008 0.000 1.200 1189 F CA 0.577 58.573 58.000 -0.008 0.000 1.468 1189 F CB -0.085 38.907 39.000 -0.015 0.000 1.116 1189 F HN 0.162 nan 8.300 nan 0.000 0.599 1190 I N -1.556 119.104 120.570 0.150 0.000 4.456 1190 I HA -0.005 4.165 4.170 0.000 0.000 0.329 1190 I C 1.276 177.426 176.117 0.056 0.000 1.313 1190 I CA 0.314 61.666 61.300 0.088 0.000 1.205 1190 I CB 0.082 38.118 38.000 0.060 0.000 1.179 1190 I HN -0.065 nan 8.210 nan 0.000 0.419 1191 N N 0.540 119.267 118.700 0.044 0.000 2.646 1191 N HA 0.141 4.881 4.740 0.000 0.000 0.214 1191 N C 1.263 176.788 175.510 0.025 0.000 1.042 1191 N CA 0.663 53.728 53.050 0.024 0.000 0.925 1191 N CB 0.069 38.560 38.487 0.006 0.000 1.383 1191 N HN 0.197 nan 8.380 nan 0.000 0.439 1192 G N 2.305 111.117 108.800 0.021 0.000 4.649 1192 G HA2 0.384 4.344 3.960 0.000 0.000 0.312 1192 G HA3 0.384 4.344 3.960 0.000 0.000 0.312 1192 G C -2.251 172.682 174.900 0.054 0.000 1.403 1192 G CA -0.829 44.283 45.100 0.020 0.000 1.248 1192 G HN 0.193 nan 8.290 nan 0.000 0.581 1193 P HA 0.094 nan 4.420 nan 0.000 0.201 1193 P C 0.815 178.168 177.300 0.089 0.000 0.893 1193 P CA 0.201 63.380 63.100 0.132 0.000 1.100 1193 P CB 1.088 32.896 31.700 0.179 0.000 0.786 1194 N N 1.477 120.219 118.700 0.071 0.000 1.075 1194 N HA -0.314 4.426 4.740 0.000 0.000 0.133 1194 N C 0.014 175.558 175.510 0.057 0.000 0.564 1194 N CA 1.748 54.830 53.050 0.053 0.000 0.891 1194 N CB -2.937 35.575 38.487 0.041 0.000 1.364 1194 N HN 0.337 nan 8.380 nan 0.000 0.547 1195 N N 2.323 121.052 118.700 0.048 0.000 2.292 1195 N HA 0.348 5.088 4.740 0.000 0.000 0.258 1195 N C -0.379 175.169 175.510 0.063 0.000 1.261 1195 N CA 0.616 53.697 53.050 0.052 0.000 0.845 1195 N CB 0.446 38.958 38.487 0.041 0.000 1.064 1195 N HN 0.970 nan 8.380 nan 0.000 0.471 1196 A N 0.703 123.574 122.820 0.085 0.000 2.415 1196 A HA 0.308 4.628 4.320 0.000 0.000 0.294 1196 A C -1.645 176.037 177.584 0.163 0.000 1.019 1196 A CA -0.907 51.199 52.037 0.116 0.000 0.603 1196 A CB 0.176 19.238 19.000 0.103 0.000 1.382 1196 A HN 0.921 nan 8.150 nan 0.000 0.483 1197 H N 1.186 120.306 119.070 0.084 0.000 3.004 1197 H HA 0.420 4.976 4.556 0.000 0.000 0.267 1197 H C 1.027 176.388 175.328 0.056 0.000 1.165 1197 H CA -0.210 55.877 56.048 0.064 0.000 1.450 1197 H CB 0.176 29.976 29.762 0.063 0.000 1.488 1197 H HN 0.488 nan 8.280 nan 0.000 0.478 1198 I N 1.968 122.678 120.570 0.233 0.000 3.334 1198 I HA -0.148 4.022 4.170 0.000 0.000 0.282 1198 I C 1.435 177.567 176.117 0.024 0.000 1.313 1198 I CA 0.093 61.452 61.300 0.099 0.000 1.396 1198 I CB -0.163 37.879 38.000 0.071 0.000 1.054 1198 I HN 0.580 nan 8.210 nan 0.000 0.495 1199 Q N 1.388 121.147 119.800 -0.067 0.000 2.008 1199 Q HA -0.122 4.218 4.340 0.000 0.000 0.196 1199 Q C 2.162 178.060 176.000 -0.171 0.000 0.973 1199 Q CA 1.439 57.128 55.803 -0.191 0.000 0.826 1199 Q CB -0.416 28.088 28.738 -0.390 0.000 0.894 1199 Q HN 0.507 nan 8.270 nan 0.000 0.439 1200 Q N 0.434 120.082 119.800 -0.253 0.000 2.297 1200 Q HA -0.094 4.246 4.340 0.000 0.000 0.208 1200 Q C 2.119 178.216 176.000 0.161 0.000 0.981 1200 Q CA 0.755 56.578 55.803 0.034 0.000 0.876 1200 Q CB -0.346 28.438 28.738 0.077 0.000 0.921 1200 Q HN 0.113 nan 8.270 nan 0.000 0.446 1201 V N -0.092 119.866 119.914 0.073 0.000 2.214 1201 V HA -0.298 3.822 4.120 0.000 0.000 0.245 1201 V C 2.171 178.286 176.094 0.036 0.000 1.047 1201 V CA 2.179 64.510 62.300 0.052 0.000 0.998 1201 V CB -1.439 30.394 31.823 0.016 0.000 0.633 1201 V HN 0.555 nan 8.190 nan 0.000 0.446 1202 G N -0.181 108.653 108.800 0.056 0.000 2.513 1202 G HA2 -0.314 3.646 3.960 0.000 0.000 0.219 1202 G HA3 -0.314 3.646 3.960 0.000 0.000 0.219 1202 G C 1.199 176.165 174.900 0.110 0.000 1.160 1202 G CA 1.353 46.525 45.100 0.120 0.000 0.767 1202 G HN 0.565 nan 8.290 nan 0.000 0.571 1203 D N 0.283 120.727 120.400 0.074 0.000 2.084 1203 D HA -0.095 4.545 4.640 0.000 0.000 0.194 1203 D C 2.508 178.869 176.300 0.102 0.000 0.990 1203 D CA 1.152 55.215 54.000 0.104 0.000 0.826 1203 D CB -0.317 40.537 40.800 0.090 0.000 0.971 1203 D HN 0.195 nan 8.370 nan 0.000 0.453 1204 R N 0.794 121.305 120.500 0.017 0.000 2.081 1204 R HA -0.044 4.296 4.340 0.000 0.000 0.235 1204 R C 2.181 178.386 176.300 -0.158 0.000 1.131 1204 R CA 1.189 57.161 56.100 -0.213 0.000 0.960 1204 R CB -1.034 28.886 30.300 -0.633 0.000 0.856 1204 R HN 0.206 nan 8.270 nan 0.000 0.436 1205 C N -0.414 118.834 119.300 -0.087 0.000 2.425 1205 C HA -0.075 4.385 4.460 0.000 0.000 0.277 1205 C C 2.362 177.337 174.990 -0.025 0.000 1.280 1205 C CA 0.727 59.689 59.018 -0.093 0.000 1.744 1205 C CB -1.241 26.436 27.740 -0.104 0.000 1.989 1205 C HN 0.556 nan 8.230 nan 0.000 0.491 1206 Y N 1.950 122.209 120.300 -0.069 0.000 2.373 1206 Y HA -0.093 4.457 4.550 0.000 0.000 0.293 1206 Y C 2.013 177.884 175.900 -0.048 0.000 1.129 1206 Y CA 2.027 60.107 58.100 -0.034 0.000 1.226 1206 Y CB -0.435 38.029 38.460 0.007 0.000 1.000 1206 Y HN 0.419 nan 8.280 nan 0.000 0.549 1207 D N -0.330 120.034 120.400 -0.060 0.000 2.249 1207 D HA -0.095 4.545 4.640 0.000 0.000 0.205 1207 D C 0.111 176.308 176.300 -0.170 0.000 0.962 1207 D CA 0.672 54.592 54.000 -0.134 0.000 0.860 1207 D CB 0.128 40.877 40.800 -0.085 0.000 0.955 1207 D HN 0.102 nan 8.370 nan 0.000 0.505 1208 E N 0.146 120.249 120.200 -0.163 0.000 2.593 1208 E HA 0.198 4.548 4.350 0.000 0.000 0.232 1208 E C -1.347 175.172 176.600 -0.135 0.000 1.026 1208 E CA -0.736 55.573 56.400 -0.151 0.000 0.772 1208 E CB 0.412 30.015 29.700 -0.161 0.000 1.310 1208 E HN 0.096 nan 8.360 nan 0.000 0.413 1209 K N 2.195 122.514 120.400 -0.135 0.000 2.349 1209 K HA 0.503 4.823 4.320 0.000 0.000 0.288 1209 K C -0.269 176.289 176.600 -0.069 0.000 1.058 1209 K CA -0.436 55.789 56.287 -0.104 0.000 0.953 1209 K CB 0.798 33.230 32.500 -0.113 0.000 0.997 1209 K HN 0.236 nan 8.250 nan 0.000 0.477 1210 M N 4.069 123.632 119.600 -0.062 0.000 2.206 1210 M HA 0.221 4.701 4.480 0.000 0.000 0.272 1210 M C -1.303 174.971 176.300 -0.044 0.000 1.012 1210 M CA -0.814 54.460 55.300 -0.043 0.000 0.986 1210 M CB 1.311 33.877 32.600 -0.058 0.000 1.740 1210 M HN 0.651 nan 8.290 nan 0.000 0.472 1211 Y N 2.174 122.402 120.300 -0.120 0.000 2.509 1211 Y HA 0.011 4.561 4.550 0.000 0.000 0.293 1211 Y C 0.619 176.444 175.900 -0.125 0.000 1.133 1211 Y CA 2.068 60.090 58.100 -0.129 0.000 1.283 1211 Y CB 0.109 38.507 38.460 -0.103 0.000 1.001 1211 Y HN 0.806 nan 8.280 nan 0.000 0.555 1212 D N -0.371 119.940 120.400 -0.150 0.000 2.392 1212 D HA -0.028 4.612 4.640 0.000 0.000 0.228 1212 D C 1.415 177.573 176.300 -0.236 0.000 1.003 1212 D CA 1.041 54.938 54.000 -0.171 0.000 0.917 1212 D CB 0.031 40.787 40.800 -0.072 0.000 0.890 1212 D HN 0.359 nan 8.370 nan 0.000 0.532 1213 A N -0.125 122.508 122.820 -0.311 0.000 2.628 1213 A HA 0.595 4.915 4.320 0.000 0.000 0.267 1213 A C 1.570 178.903 177.584 -0.419 0.000 1.159 1213 A CA 0.070 51.931 52.037 -0.292 0.000 0.972 1213 A CB 0.342 19.208 19.000 -0.223 0.000 1.211 1213 A HN 0.133 nan 8.150 nan 0.000 0.576 1214 A N 0.026 122.469 122.820 -0.628 0.000 2.276 1214 A HA 0.243 4.563 4.320 0.000 0.000 0.212 1214 A C 1.693 178.858 177.584 -0.698 0.000 1.230 1214 A CA 1.286 52.767 52.037 -0.927 0.000 0.844 1214 A CB -0.177 18.271 19.000 -0.921 0.000 0.860 1214 A HN 0.294 nan 8.150 nan 0.000 0.486 1215 K N -1.149 119.018 120.400 -0.388 0.000 2.642 1215 K HA 0.119 4.439 4.320 0.000 0.000 0.214 1215 K C 1.206 177.761 176.600 -0.075 0.000 1.451 1215 K CA 0.354 56.560 56.287 -0.134 0.000 0.917 1215 K CB -0.823 31.575 32.500 -0.169 0.000 1.779 1215 K HN 0.234 nan 8.250 nan 0.000 0.447 1216 L N 2.235 123.387 121.223 -0.119 0.000 2.661 1216 L HA -0.024 4.316 4.340 0.000 0.000 0.236 1216 L C 1.563 178.406 176.870 -0.045 0.000 1.176 1216 L CA 0.993 55.795 54.840 -0.064 0.000 0.836 1216 L CB -0.135 41.881 42.059 -0.072 0.000 0.960 1216 L HN 0.357 nan 8.230 nan 0.000 0.455 1217 L N -3.435 117.755 121.223 -0.055 0.000 2.713 1217 L HA 0.060 4.400 4.340 0.000 0.000 0.223 1217 L C 1.710 178.632 176.870 0.087 0.000 1.040 1217 L CA 0.340 55.171 54.840 -0.015 0.000 0.894 1217 L CB -0.631 41.382 42.059 -0.077 0.000 1.361 1217 L HN 0.071 nan 8.230 nan 0.000 0.490 1218 Y N 0.762 120.974 120.300 -0.147 0.000 2.497 1218 Y HA -0.107 4.443 4.550 0.000 0.000 0.292 1218 Y C 1.978 177.810 175.900 -0.113 0.000 1.137 1218 Y CA 0.775 58.753 58.100 -0.203 0.000 1.285 1218 Y CB -0.595 37.710 38.460 -0.258 0.000 0.991 1218 Y HN 0.308 nan 8.280 nan 0.000 0.556 1219 N N 0.231 118.997 118.700 0.110 0.000 2.322 1219 N HA -0.007 4.733 4.740 0.000 0.000 0.216 1219 N C -0.185 175.357 175.510 0.054 0.000 1.144 1219 N CA 0.224 53.331 53.050 0.095 0.000 0.830 1219 N CB -0.198 38.339 38.487 0.084 0.000 1.034 1219 N HN 0.123 nan 8.380 nan 0.000 0.484 1220 N N -1.106 117.615 118.700 0.034 0.000 2.073 1220 N HA 0.102 4.842 4.740 0.000 0.000 0.227 1220 N C -1.097 174.412 175.510 -0.000 0.000 1.367 1220 N CA 0.094 53.156 53.050 0.020 0.000 0.775 1220 N CB 1.268 39.768 38.487 0.021 0.000 1.234 1220 N HN -0.024 nan 8.380 nan 0.000 0.512 1221 V N -0.385 119.508 119.914 -0.035 0.000 3.157 1221 V HA 0.552 4.672 4.120 0.000 0.000 0.312 1221 V C -0.483 175.461 176.094 -0.249 0.000 1.502 1221 V CA -0.179 62.060 62.300 -0.101 0.000 0.997 1221 V CB 1.542 33.327 31.823 -0.064 0.000 1.053 1221 V HN 0.268 nan 8.190 nan 0.000 0.482 1222 S N -0.172 115.280 115.700 -0.414 0.000 3.565 1222 S HA 0.424 4.894 4.470 0.000 0.000 0.242 1222 S C 0.041 173.931 174.600 -1.184 0.000 1.023 1222 S CA 0.591 58.442 58.200 -0.581 0.000 1.300 1222 S CB 0.671 63.688 63.200 -0.305 0.000 1.198 1222 S HN 1.046 nan 8.310 nan 0.000 0.697 1223 N N 0.185 118.372 118.700 -0.854 0.000 2.716 1223 N HA -0.131 4.609 4.740 0.000 0.000 0.250 1223 N C -0.217 174.943 175.510 -0.584 0.000 1.033 1223 N CA 0.845 53.373 53.050 -0.870 0.000 0.727 1223 N CB -1.632 36.373 38.487 -0.804 0.000 0.950 1223 N HN 0.457 nan 8.380 nan 0.000 0.541 1224 F N -0.795 119.023 119.950 -0.221 0.000 2.147 1224 F HA 0.201 4.728 4.527 0.000 0.000 0.291 1224 F C 2.556 178.369 175.800 0.021 0.000 1.093 1224 F CA 1.347 59.336 58.000 -0.018 0.000 1.263 1224 F CB -0.702 38.276 39.000 -0.037 0.000 1.036 1224 F HN 0.263 nan 8.300 nan 0.000 0.481 1225 G N -0.773 108.106 108.800 0.131 0.000 2.432 1225 G HA2 -0.226 3.734 3.960 0.000 0.000 0.219 1225 G HA3 -0.226 3.734 3.960 0.000 0.000 0.219 1225 G C 1.491 176.402 174.900 0.019 0.000 1.135 1225 G CA 0.305 45.411 45.100 0.009 0.000 0.767 1225 G HN 0.037 nan 8.290 nan 0.000 0.550 1226 R N -0.117 120.347 120.500 -0.059 0.000 2.391 1226 R HA 0.345 4.685 4.340 0.000 0.000 0.225 1226 R C 1.587 178.069 176.300 0.303 0.000 1.079 1226 R CA 0.040 55.997 56.100 -0.240 0.000 1.147 1226 R CB -0.501 29.395 30.300 -0.674 0.000 1.103 1226 R HN 0.531 nan 8.270 nan 0.000 0.499 1227 L N -3.108 118.306 121.223 0.318 0.000 2.758 1227 L HA 0.446 4.786 4.340 0.000 0.000 0.234 1227 L C 0.991 178.007 176.870 0.244 0.000 1.049 1227 L CA 0.317 55.375 54.840 0.364 0.000 0.908 1227 L CB 0.122 42.499 42.059 0.530 0.000 1.362 1227 L HN 0.015 nan 8.230 nan 0.000 0.499 1228 A N -0.570 122.331 122.820 0.136 0.000 2.359 1228 A HA 0.418 4.738 4.320 0.000 0.000 0.240 1228 A C 1.161 178.750 177.584 0.008 0.000 1.306 1228 A CA 0.673 52.707 52.037 -0.004 0.000 0.898 1228 A CB -0.241 18.651 19.000 -0.179 0.000 0.956 1228 A HN 0.491 nan 8.150 nan 0.000 0.497 1229 S N -1.753 114.011 115.700 0.108 0.000 3.952 1229 S HA 0.078 4.548 4.470 0.000 0.000 0.211 1229 S C 0.650 175.293 174.600 0.072 0.000 1.098 1229 S CA 0.100 58.371 58.200 0.119 0.000 0.954 1229 S CB 0.082 63.392 63.200 0.184 0.000 1.222 1229 S HN 0.351 nan 8.310 nan 0.000 0.585 1230 T N 4.830 119.428 114.554 0.072 0.000 2.825 1230 T HA 0.515 4.865 4.350 0.000 0.000 0.270 1230 T C -0.418 174.230 174.700 -0.087 0.000 0.919 1230 T CA 0.325 62.322 62.100 -0.171 0.000 1.159 1230 T CB -1.405 67.047 68.868 -0.694 0.000 0.889 1230 T HN 0.501 nan 8.240 nan 0.000 0.565 1231 L N 1.600 122.782 121.223 -0.069 0.000 4.310 1231 L HA 0.331 4.671 4.340 0.000 0.000 0.204 1231 L C -1.244 175.608 176.870 -0.030 0.000 1.040 1231 L CA -0.940 53.875 54.840 -0.042 0.000 0.970 1231 L CB -0.572 41.476 42.059 -0.019 0.000 1.291 1231 L HN 0.260 nan 8.230 nan 0.000 0.328 1232 V N -0.867 119.043 119.914 -0.008 0.000 3.119 1232 V HA 0.683 4.803 4.120 0.000 0.000 0.309 1232 V C 0.881 177.019 176.094 0.074 0.000 1.304 1232 V CA 0.716 63.020 62.300 0.006 0.000 1.057 1232 V CB 1.588 33.410 31.823 -0.001 0.000 1.150 1232 V HN 1.873 nan 8.190 nan 0.000 0.474 1233 H N -0.476 118.560 119.070 -0.057 0.000 3.641 1233 H HA -0.149 4.407 4.556 0.000 0.000 0.193 1233 H C 0.276 175.547 175.328 -0.094 0.000 1.013 1233 H CA 1.329 57.351 56.048 -0.042 0.000 1.212 1233 H CB -1.020 28.718 29.762 -0.041 0.000 1.089 1233 H HN 1.283 nan 8.280 nan 0.000 0.339 1234 L N -1.152 120.075 121.223 0.006 0.000 7.603 1234 L HA -0.203 4.137 4.340 0.000 0.000 0.092 1234 L C 1.571 178.218 176.870 -0.371 0.000 1.252 1234 L CA 2.894 57.663 54.840 -0.119 0.000 1.482 1234 L CB -1.389 40.632 42.059 -0.064 0.000 2.830 1234 L HN 0.456 nan 8.230 nan 0.000 1.159 1235 G N -0.756 107.676 108.800 -0.612 0.000 3.141 1235 G HA2 0.449 4.409 3.960 0.000 0.000 0.218 1235 G HA3 0.449 4.409 3.960 0.000 0.000 0.218 1235 G C 0.272 174.764 174.900 -0.681 0.000 1.170 1235 G CA 1.124 45.234 45.100 -1.650 0.000 0.769 1235 G HN 0.983 nan 8.290 nan 0.000 0.546 1236 E N -2.564 117.485 120.200 -0.251 0.000 4.501 1236 E HA -0.285 4.065 4.350 0.000 0.000 0.213 1236 E C 0.175 176.825 176.600 0.082 0.000 1.388 1236 E CA 0.728 57.138 56.400 0.016 0.000 2.220 1236 E CB -1.018 28.722 29.700 0.067 0.000 2.029 1236 E HN 0.157 nan 8.360 nan 0.000 0.523 1237 Y N 0.995 121.309 120.300 0.025 0.000 2.488 1237 Y HA 0.206 4.756 4.550 0.000 0.000 0.319 1237 Y C 0.974 176.909 175.900 0.058 0.000 1.212 1237 Y CA 0.892 59.016 58.100 0.040 0.000 1.273 1237 Y CB -0.004 38.476 38.460 0.033 0.000 1.074 1237 Y HN 0.290 nan 8.280 nan 0.000 0.503 1238 Q N 0.038 119.804 119.800 -0.058 0.000 2.188 1238 Q HA 0.428 4.768 4.340 0.000 0.000 0.212 1238 Q C 1.109 177.157 176.000 0.079 0.000 0.846 1238 Q CA 0.581 56.360 55.803 -0.040 0.000 0.989 1238 Q CB 0.754 29.558 28.738 0.109 0.000 1.114 1238 Q HN 0.454 nan 8.270 nan 0.000 0.488 1239 A N -1.171 121.670 122.820 0.035 0.000 2.551 1239 A HA 0.636 4.956 4.320 0.000 0.000 0.252 1239 A C 1.402 179.012 177.584 0.044 0.000 1.199 1239 A CA 0.578 52.679 52.037 0.108 0.000 0.972 1239 A CB 0.364 19.433 19.000 0.115 0.000 1.153 1239 A HN 0.238 nan 8.150 nan 0.000 0.559 1240 A N -0.334 122.482 122.820 -0.008 0.000 1.920 1240 A HA 0.268 4.588 4.320 0.000 0.000 0.209 1240 A C 1.619 179.321 177.584 0.196 0.000 1.229 1240 A CA 1.239 53.226 52.037 -0.084 0.000 0.671 1240 A CB -0.586 18.300 19.000 -0.189 0.000 0.886 1240 A HN 0.440 nan 8.150 nan 0.000 0.461 1241 V N 1.042 121.053 119.914 0.163 0.000 3.284 1241 V HA -0.141 3.979 4.120 0.000 0.000 0.273 1241 V C 0.401 176.571 176.094 0.126 0.000 1.178 1241 V CA 1.985 64.385 62.300 0.167 0.000 1.177 1241 V CB -0.802 31.031 31.823 0.017 0.000 0.793 1241 V HN 0.510 nan 8.190 nan 0.000 0.536 1242 D N -1.616 118.859 120.400 0.124 0.000 2.567 1242 D HA 0.187 4.827 4.640 0.000 0.000 0.268 1242 D C 1.224 177.530 176.300 0.011 0.000 1.448 1242 D CA 0.844 54.886 54.000 0.070 0.000 0.811 1242 D CB 1.246 42.100 40.800 0.089 0.000 1.192 1242 D HN 0.406 nan 8.370 nan 0.000 0.488 1243 G N 0.794 109.654 108.800 0.098 0.000 2.534 1243 G HA2 0.271 4.231 3.960 0.000 0.000 0.220 1243 G HA3 0.271 4.231 3.960 0.000 0.000 0.220 1243 G C 1.315 176.362 174.900 0.245 0.000 1.699 1243 G CA 0.625 45.770 45.100 0.075 0.000 0.769 1243 G HN 0.132 nan 8.290 nan 0.000 0.632 1244 A N 0.657 123.822 122.820 0.574 0.000 2.259 1244 A HA 0.056 4.376 4.320 0.000 0.000 0.212 1244 A C 2.169 179.874 177.584 0.201 0.000 1.178 1244 A CA 1.544 53.852 52.037 0.452 0.000 0.734 1244 A CB -0.504 18.698 19.000 0.337 0.000 0.774 1244 A HN 0.408 nan 8.150 nan 0.000 0.481 1245 R N 0.784 121.396 120.500 0.186 0.000 2.091 1245 R HA -0.163 4.177 4.340 0.000 0.000 0.238 1245 R C 1.026 177.319 176.300 -0.012 0.000 1.136 1245 R CA 1.997 58.120 56.100 0.039 0.000 0.959 1245 R CB -0.263 30.056 30.300 0.031 0.000 0.856 1245 R HN 0.517 nan 8.270 nan 0.000 0.437 1246 K N 0.111 120.492 120.400 -0.032 0.000 2.404 1246 K HA 0.257 4.577 4.320 0.000 0.000 0.194 1246 K C 0.332 176.920 176.600 -0.020 0.000 1.023 1246 K CA 0.463 56.721 56.287 -0.048 0.000 1.094 1246 K CB 0.560 32.996 32.500 -0.106 0.000 0.841 1246 K HN 0.290 nan 8.250 nan 0.000 0.523 1247 A N 2.147 124.971 122.820 0.006 0.000 2.091 1247 A HA -0.225 4.095 4.320 0.000 0.000 0.270 1247 A C -0.448 177.158 177.584 0.037 0.000 1.368 1247 A CA 0.381 52.418 52.037 0.000 0.000 0.745 1247 A CB -1.994 16.977 19.000 -0.049 0.000 1.173 1247 A HN 0.510 nan 8.150 nan 0.000 0.322 1248 N N 0.352 119.132 118.700 0.135 0.000 2.285 1248 N HA 0.428 5.168 4.740 0.000 0.000 0.262 1248 N C 0.626 176.213 175.510 0.128 0.000 1.299 1248 N CA 0.392 53.522 53.050 0.133 0.000 0.930 1248 N CB 0.167 38.756 38.487 0.170 0.000 1.157 1248 N HN 0.506 nan 8.380 nan 0.000 0.532 1249 S N 0.362 116.123 115.700 0.102 0.000 2.546 1249 S HA 0.015 4.485 4.470 0.000 0.000 0.290 1249 S C -0.040 174.626 174.600 0.111 0.000 1.262 1249 S CA -0.347 57.895 58.200 0.070 0.000 1.083 1249 S CB -0.753 62.474 63.200 0.045 0.000 0.859 1249 S HN 0.585 nan 8.310 nan 0.000 0.495 1250 T N 4.037 118.624 114.554 0.056 0.000 2.830 1250 T HA 0.089 4.439 4.350 0.000 0.000 0.282 1250 T C 0.067 174.829 174.700 0.103 0.000 1.024 1250 T CA -0.278 61.856 62.100 0.057 0.000 1.144 1250 T CB -0.154 68.686 68.868 -0.047 0.000 1.035 1250 T HN 0.715 nan 8.240 nan 0.000 0.507 1251 R N 1.126 121.744 120.500 0.198 0.000 5.633 1251 R HA -0.070 4.270 4.340 0.000 0.000 0.192 1251 R C 1.164 177.502 176.300 0.063 0.000 0.824 1251 R CA 1.040 57.209 56.100 0.116 0.000 1.147 1251 R CB -2.050 28.283 30.300 0.054 0.000 1.364 1251 R HN 2.012 nan 8.270 nan 0.000 0.599 1252 T N -4.771 109.760 114.554 -0.037 0.000 8.650 1252 T HA -0.275 4.075 4.350 0.000 0.000 0.321 1252 T C 0.940 175.473 174.700 -0.278 0.000 2.013 1252 T CA 2.263 64.252 62.100 -0.185 0.000 3.192 1252 T CB -1.600 67.070 68.868 -0.330 0.000 2.061 1252 T HN 0.591 nan 8.240 nan 0.000 1.035 1253 W N 1.653 122.929 121.300 -0.040 0.000 2.630 1253 W HA 0.488 5.148 4.660 0.000 0.000 0.275 1253 W C 2.386 178.778 176.519 -0.212 0.000 1.192 1253 W CA 0.508 57.778 57.345 -0.125 0.000 1.410 1253 W CB 0.039 29.324 29.460 -0.291 0.000 1.075 1253 W HN 0.174 nan 8.180 nan 0.000 0.581 1254 K N 0.964 121.339 120.400 -0.041 0.000 2.589 1254 K HA -0.169 4.151 4.320 0.000 0.000 0.195 1254 K C 0.977 177.880 176.600 0.504 0.000 1.042 1254 K CA 1.201 57.533 56.287 0.076 0.000 0.940 1254 K CB -0.078 32.434 32.500 0.020 0.000 0.776 1254 K HN 0.447 nan 8.250 nan 0.000 0.487 1255 E N -0.485 120.010 120.200 0.493 0.000 2.290 1255 E HA -0.034 4.316 4.350 0.000 0.000 0.195 1255 E C 1.966 178.891 176.600 0.543 0.000 0.938 1255 E CA 0.143 56.833 56.400 0.483 0.000 1.018 1255 E CB 0.037 29.875 29.700 0.231 0.000 1.042 1255 E HN -0.088 nan 8.360 nan 0.000 0.483 1256 V N 1.937 122.071 119.914 0.367 0.000 2.231 1256 V HA -0.361 3.759 4.120 0.000 0.000 0.250 1256 V C 2.551 178.797 176.094 0.252 0.000 1.058 1256 V CA 2.114 64.570 62.300 0.260 0.000 1.022 1256 V CB -0.599 31.329 31.823 0.176 0.000 0.640 1256 V HN 0.555 nan 8.190 nan 0.000 0.445 1257 C N -0.350 119.213 119.300 0.439 0.000 2.448 1257 C HA -0.058 4.402 4.460 0.000 0.000 0.280 1257 C C 2.559 177.457 174.990 -0.154 0.000 1.398 1257 C CA 0.285 59.446 59.018 0.239 0.000 1.774 1257 C CB -1.412 26.580 27.740 0.419 0.000 1.888 1257 C HN 0.636 nan 8.230 nan 0.000 0.519 1258 F N 3.167 122.806 119.950 -0.517 0.000 2.014 1258 F HA 0.066 4.593 4.527 0.000 0.000 0.295 1258 F C 2.166 177.868 175.800 -0.164 0.000 1.145 1258 F CA 1.945 59.630 58.000 -0.525 0.000 1.178 1258 F CB -1.213 37.691 39.000 -0.161 0.000 0.972 1258 F HN 0.128 nan 8.300 nan 0.000 0.476 1259 A N -0.633 121.759 122.820 -0.713 0.000 2.272 1259 A HA -0.131 4.189 4.320 0.000 0.000 0.213 1259 A C 2.071 179.415 177.584 -0.400 0.000 1.183 1259 A CA 1.517 53.120 52.037 -0.723 0.000 0.719 1259 A CB -1.818 17.023 19.000 -0.265 0.000 0.771 1259 A HN 0.643 nan 8.150 nan 0.000 0.484 1260 C N -1.931 117.213 119.300 -0.260 0.000 2.611 1260 C HA 0.027 4.487 4.460 0.000 0.000 0.283 1260 C C 2.600 177.485 174.990 -0.175 0.000 1.340 1260 C CA 0.689 59.633 59.018 -0.123 0.000 1.716 1260 C CB -0.965 26.809 27.740 0.056 0.000 2.134 1260 C HN 0.528 nan 8.230 nan 0.000 0.526 1261 V N 2.671 122.461 119.914 -0.205 0.000 2.317 1261 V HA -0.296 3.824 4.120 0.000 0.000 0.251 1261 V C 2.035 177.874 176.094 -0.426 0.000 1.065 1261 V CA 2.798 64.805 62.300 -0.488 0.000 1.049 1261 V CB -1.289 30.026 31.823 -0.847 0.000 0.651 1261 V HN 0.705 nan 8.190 nan 0.000 0.450 1262 D N 1.519 121.692 120.400 -0.379 0.000 2.084 1262 D HA 0.073 4.713 4.640 0.000 0.000 0.196 1262 D C 1.156 177.294 176.300 -0.270 0.000 0.985 1262 D CA 1.502 55.318 54.000 -0.307 0.000 0.826 1262 D CB -0.355 40.261 40.800 -0.306 0.000 0.978 1262 D HN 0.537 nan 8.370 nan 0.000 0.456 1263 G N -1.259 107.376 108.800 -0.276 0.000 2.448 1263 G HA2 0.481 4.441 3.960 0.000 0.000 0.324 1263 G HA3 0.481 4.441 3.960 0.000 0.000 0.324 1263 G C -1.098 173.633 174.900 -0.282 0.000 1.203 1263 G CA -0.733 44.212 45.100 -0.259 0.000 0.954 1263 G HN 0.387 nan 8.290 nan 0.000 0.480 1264 K N 1.356 121.525 120.400 -0.384 0.000 4.522 1264 K HA -0.124 4.196 4.320 0.000 0.000 0.478 1264 K C -0.032 176.277 176.600 -0.486 0.000 1.162 1264 K CA 0.385 56.328 56.287 -0.572 0.000 1.206 1264 K CB -0.943 31.384 32.500 -0.289 0.000 1.680 1264 K HN 0.711 nan 8.250 nan 0.000 0.407 1265 E N 2.517 122.395 120.200 -0.537 0.000 2.303 1265 E HA 0.004 4.354 4.350 0.000 0.000 0.211 1265 E C 0.170 176.660 176.600 -0.182 0.000 1.223 1265 E CA -0.238 55.985 56.400 -0.295 0.000 1.344 1265 E CB -0.036 29.526 29.700 -0.231 0.000 1.299 1265 E HN 0.369 nan 8.360 nan 0.000 0.441 1266 F N 0.299 120.225 119.950 -0.039 0.000 2.710 1266 F HA 0.148 4.675 4.527 0.000 0.000 0.298 1266 F C 1.190 176.973 175.800 -0.029 0.000 1.137 1266 F CA 0.021 57.997 58.000 -0.040 0.000 1.444 1266 F CB -0.085 38.887 39.000 -0.047 0.000 1.111 1266 F HN 0.013 nan 8.300 nan 0.000 0.580 1267 R N -0.064 120.519 120.500 0.137 0.000 3.527 1267 R HA -0.169 4.171 4.340 0.000 0.000 0.288 1267 R C 0.333 176.707 176.300 0.122 0.000 1.146 1267 R CA -0.040 56.129 56.100 0.114 0.000 0.778 1267 R CB -1.868 28.479 30.300 0.078 0.000 1.289 1267 R HN 0.306 nan 8.270 nan 0.000 0.454 1268 L N -0.861 120.458 121.223 0.159 0.000 2.650 1268 L HA 0.096 4.436 4.340 0.000 0.000 0.235 1268 L C 1.483 178.452 176.870 0.165 0.000 1.149 1268 L CA 0.970 55.901 54.840 0.152 0.000 0.887 1268 L CB 0.234 42.412 42.059 0.200 0.000 1.021 1268 L HN 0.383 nan 8.230 nan 0.000 0.441 1269 A N -1.388 121.533 122.820 0.169 0.000 2.676 1269 A HA 0.263 4.583 4.320 0.000 0.000 0.297 1269 A C 1.200 178.819 177.584 0.059 0.000 1.132 1269 A CA -0.227 51.915 52.037 0.175 0.000 0.972 1269 A CB 0.258 19.423 19.000 0.275 0.000 1.197 1269 A HN 0.151 nan 8.150 nan 0.000 0.524 1270 Q N -1.708 118.132 119.800 0.067 0.000 2.342 1270 Q HA 0.272 4.612 4.340 0.000 0.000 0.261 1270 Q C 1.517 177.573 176.000 0.094 0.000 0.841 1270 Q CA 0.632 56.447 55.803 0.020 0.000 0.969 1270 Q CB 0.153 28.889 28.738 -0.005 0.000 1.136 1270 Q HN 0.606 nan 8.270 nan 0.000 0.528 1271 M N -0.344 119.337 119.600 0.134 0.000 2.216 1271 M HA -0.013 4.467 4.480 0.000 0.000 0.264 1271 M C 2.035 178.510 176.300 0.292 0.000 1.080 1271 M CA 1.008 56.423 55.300 0.193 0.000 1.153 1271 M CB -0.334 32.391 32.600 0.209 0.000 1.356 1271 M HN 0.259 nan 8.290 nan 0.000 0.432 1272 C N 0.505 119.963 119.300 0.263 0.000 2.466 1272 C HA 0.120 4.580 4.460 0.000 0.000 0.283 1272 C C 2.323 177.474 174.990 0.268 0.000 1.472 1272 C CA 0.476 59.652 59.018 0.263 0.000 1.765 1272 C CB -2.148 25.728 27.740 0.226 0.000 1.724 1272 C HN 0.672 nan 8.230 nan 0.000 0.560 1273 G N 1.042 109.983 108.800 0.235 0.000 2.662 1273 G HA2 -0.036 3.924 3.960 0.000 0.000 0.215 1273 G HA3 -0.036 3.924 3.960 0.000 0.000 0.215 1273 G C 1.141 176.131 174.900 0.150 0.000 1.310 1273 G CA 0.897 46.142 45.100 0.243 0.000 0.849 1273 G HN 0.409 nan 8.290 nan 0.000 0.568 1274 L N 0.709 122.008 121.223 0.127 0.000 2.351 1274 L HA -0.056 4.284 4.340 0.000 0.000 0.220 1274 L C 2.394 179.273 176.870 0.016 0.000 1.127 1274 L CA 1.136 56.005 54.840 0.049 0.000 0.786 1274 L CB -0.983 41.089 42.059 0.022 0.000 0.914 1274 L HN 0.313 nan 8.230 nan 0.000 0.443 1275 H N 1.025 120.085 119.070 -0.016 0.000 2.261 1275 H HA -0.095 4.461 4.556 0.000 0.000 0.301 1275 H C 2.261 177.450 175.328 -0.231 0.000 1.067 1275 H CA 2.337 58.358 56.048 -0.044 0.000 1.297 1275 H CB -0.066 29.737 29.762 0.067 0.000 1.377 1275 H HN 0.452 nan 8.280 nan 0.000 0.492 1276 I N 0.487 120.957 120.570 -0.167 0.000 2.493 1276 I HA -0.137 4.033 4.170 0.000 0.000 0.254 1276 I C 2.460 178.209 176.117 -0.613 0.000 1.160 1276 I CA 1.311 62.041 61.300 -0.950 0.000 1.445 1276 I CB -0.581 36.776 38.000 -1.072 0.000 1.086 1276 I HN 0.096 nan 8.210 nan 0.000 0.433 1277 V N 0.493 120.264 119.914 -0.239 0.000 2.223 1277 V HA -0.147 3.973 4.120 0.000 0.000 0.244 1277 V C 1.817 177.959 176.094 0.079 0.000 1.045 1277 V CA 1.024 63.339 62.300 0.025 0.000 1.000 1277 V CB -1.711 30.123 31.823 0.018 0.000 0.635 1277 V HN 0.268 nan 8.190 nan 0.000 0.445 1278 V N 4.818 124.669 119.914 -0.106 0.000 5.596 1278 V HA -0.194 3.926 4.120 0.000 0.000 0.121 1278 V C 0.398 176.448 176.094 -0.074 0.000 0.747 1278 V CA 1.749 63.972 62.300 -0.127 0.000 0.524 1278 V CB -2.596 29.151 31.823 -0.125 0.000 0.164 1278 V HN 1.119 nan 8.190 nan 0.000 0.310 1279 H N 0.419 119.427 119.070 -0.103 0.000 2.930 1279 H HA 0.781 5.337 4.556 0.000 0.000 0.371 1279 H C 0.212 175.488 175.328 -0.088 0.000 1.169 1279 H CA -0.488 55.495 56.048 -0.108 0.000 1.157 1279 H CB 2.110 31.793 29.762 -0.132 0.000 1.789 1279 H HN 0.132 nan 8.280 nan 0.000 0.547 1280 A N 1.599 124.376 122.820 -0.072 0.000 1.909 1280 A HA -0.071 4.249 4.320 0.000 0.000 0.209 1280 A C 1.470 178.739 177.584 -0.525 0.000 1.247 1280 A CA 1.138 53.022 52.037 -0.256 0.000 0.660 1280 A CB -0.299 18.591 19.000 -0.183 0.000 0.910 1280 A HN 0.696 nan 8.150 nan 0.000 0.465 1281 D N -0.329 119.918 120.400 -0.256 0.000 2.339 1281 D HA 0.106 4.746 4.640 0.000 0.000 0.217 1281 D C 0.697 176.954 176.300 -0.070 0.000 1.050 1281 D CA 0.126 53.998 54.000 -0.214 0.000 0.856 1281 D CB 0.122 40.844 40.800 -0.130 0.000 0.922 1281 D HN 0.404 nan 8.370 nan 0.000 0.518 1282 E N -0.541 119.708 120.200 0.082 0.000 3.188 1282 E HA 0.448 4.798 4.350 0.000 0.000 0.262 1282 E C 0.288 177.014 176.600 0.210 0.000 1.341 1282 E CA -0.349 56.054 56.400 0.005 0.000 1.140 1282 E CB 0.441 29.843 29.700 -0.496 0.000 1.306 1282 E HN -0.088 nan 8.360 nan 0.000 0.694 1283 L N -0.598 120.464 121.223 -0.268 0.000 2.123 1283 L HA -0.128 4.212 4.340 0.000 0.000 0.482 1283 L C 0.800 177.709 176.870 0.064 0.000 0.760 1283 L CA 0.983 55.954 54.840 0.218 0.000 2.423 1283 L CB -1.497 40.892 42.059 0.549 0.000 1.140 1283 L HN 0.655 nan 8.230 nan 0.000 0.553 1284 E N 0.552 120.735 120.200 -0.028 0.000 2.132 1284 E HA -0.014 4.336 4.350 0.000 0.000 0.193 1284 E C 1.577 178.160 176.600 -0.027 0.000 0.951 1284 E CA 1.119 57.518 56.400 -0.002 0.000 0.843 1284 E CB 0.345 30.041 29.700 -0.006 0.000 0.807 1284 E HN 0.617 nan 8.360 nan 0.000 0.467 1285 E N 0.450 120.595 120.200 -0.092 0.000 2.268 1285 E HA -0.146 4.204 4.350 0.000 0.000 0.195 1285 E C 1.681 178.217 176.600 -0.106 0.000 0.995 1285 E CA 0.257 56.598 56.400 -0.098 0.000 0.836 1285 E CB 0.030 29.642 29.700 -0.148 0.000 0.763 1285 E HN 0.074 nan 8.360 nan 0.000 0.491 1286 L N 1.345 122.490 121.223 -0.131 0.000 2.693 1286 L HA 0.068 4.408 4.340 0.000 0.000 0.242 1286 L C 0.336 177.247 176.870 0.069 0.000 1.157 1286 L CA 0.498 55.279 54.840 -0.099 0.000 0.929 1286 L CB 0.136 42.135 42.059 -0.101 0.000 1.103 1286 L HN 0.215 nan 8.230 nan 0.000 0.430 1287 I N -3.431 117.202 120.570 0.105 0.000 3.007 1287 I HA 0.485 4.655 4.170 0.000 0.000 0.333 1287 I C -0.059 176.166 176.117 0.180 0.000 1.489 1287 I CA 0.037 61.445 61.300 0.179 0.000 0.906 1287 I CB -0.372 37.725 38.000 0.161 0.000 1.702 1287 I HN -0.045 nan 8.210 nan 0.000 0.548 1288 N N 0.261 119.081 118.700 0.200 0.000 2.036 1288 N HA 0.053 4.793 4.740 0.000 0.000 0.224 1288 N C 0.042 175.694 175.510 0.237 0.000 1.381 1288 N CA 0.076 53.230 53.050 0.172 0.000 0.746 1288 N CB 0.589 39.138 38.487 0.104 0.000 1.213 1288 N HN 0.547 nan 8.380 nan 0.000 0.524 1289 Y N -0.693 119.687 120.300 0.133 0.000 2.540 1289 Y HA 0.286 4.836 4.550 0.000 0.000 0.257 1289 Y C 0.028 176.124 175.900 0.327 0.000 1.090 1289 Y CA 0.081 58.287 58.100 0.177 0.000 1.242 1289 Y CB 0.518 39.015 38.460 0.062 0.000 1.325 1289 Y HN -0.126 nan 8.280 nan 0.000 0.544 1290 Y N 0.978 121.432 120.300 0.257 0.000 2.675 1290 Y HA 0.339 4.889 4.550 0.000 0.000 0.248 1290 Y C 0.849 176.827 175.900 0.130 0.000 1.161 1290 Y CA -0.395 57.824 58.100 0.197 0.000 1.203 1290 Y CB 0.320 38.889 38.460 0.182 0.000 1.262 1290 Y HN 0.344 nan 8.280 nan 0.000 0.544 1291 Q N -1.209 118.753 119.800 0.269 0.000 2.517 1291 Q HA 0.051 4.391 4.340 0.000 0.000 0.188 1291 Q C 1.115 177.194 176.000 0.133 0.000 0.736 1291 Q CA 0.034 55.966 55.803 0.214 0.000 0.834 1291 Q CB 0.426 29.333 28.738 0.281 0.000 1.198 1291 Q HN -0.005 nan 8.270 nan 0.000 0.596 1292 D N 1.512 122.003 120.400 0.151 0.000 2.244 1292 D HA -0.198 4.442 4.640 0.000 0.000 0.197 1292 D C 1.262 177.594 176.300 0.054 0.000 1.006 1292 D CA 1.355 55.425 54.000 0.117 0.000 0.888 1292 D CB -0.043 40.832 40.800 0.125 0.000 0.912 1292 D HN 0.118 nan 8.370 nan 0.000 0.452 1293 R N -0.170 120.327 120.500 -0.005 0.000 2.426 1293 R HA 0.209 4.549 4.340 0.000 0.000 0.263 1293 R C 0.395 176.483 176.300 -0.354 0.000 0.961 1293 R CA 0.145 56.155 56.100 -0.151 0.000 1.086 1293 R CB 0.408 30.595 30.300 -0.189 0.000 1.186 1293 R HN 0.042 nan 8.270 nan 0.000 0.537 1294 G N 1.228 109.797 108.800 -0.385 0.000 2.331 1294 G HA2 -0.286 3.674 3.960 0.000 0.000 0.254 1294 G HA3 -0.286 3.674 3.960 0.000 0.000 0.254 1294 G C -0.272 173.957 174.900 -1.117 0.000 0.879 1294 G CA 0.054 44.643 45.100 -0.852 0.000 1.287 1294 G HN 0.387 nan 8.290 nan 0.000 0.383 1295 Y N 1.282 120.775 120.300 -1.344 0.000 2.638 1295 Y HA 0.302 4.852 4.550 0.000 0.000 0.275 1295 Y C 2.382 177.839 175.900 -0.739 0.000 1.122 1295 Y CA 0.077 57.678 58.100 -0.832 0.000 1.266 1295 Y CB -0.451 37.640 38.460 -0.616 0.000 1.317 1295 Y HN 0.514 nan 8.280 nan 0.000 0.501 1296 F N -0.211 119.707 119.950 -0.054 0.000 3.392 1296 F HA -0.506 4.021 4.527 0.000 0.000 0.290 1296 F C 1.990 177.716 175.800 -0.122 0.000 1.467 1296 F CA 1.163 59.083 58.000 -0.132 0.000 1.548 1296 F CB -1.669 37.182 39.000 -0.249 0.000 0.654 1296 F HN -0.030 nan 8.300 nan 0.000 0.551 1297 E N 0.364 120.654 120.200 0.149 0.000 2.914 1297 E HA -0.347 4.003 4.350 0.000 0.000 0.218 1297 E C 1.698 178.288 176.600 -0.017 0.000 0.897 1297 E CA 2.395 58.822 56.400 0.044 0.000 1.465 1297 E CB -1.246 28.477 29.700 0.037 0.000 1.468 1297 E HN 0.720 nan 8.360 nan 0.000 0.462 1298 E N 0.298 120.457 120.200 -0.068 0.000 2.219 1298 E HA -0.180 4.170 4.350 0.000 0.000 0.198 1298 E C 2.203 178.664 176.600 -0.232 0.000 0.998 1298 E CA 0.855 57.164 56.400 -0.150 0.000 0.818 1298 E CB -0.324 29.243 29.700 -0.221 0.000 0.741 1298 E HN 0.258 nan 8.360 nan 0.000 0.477 1299 L N 0.888 121.941 121.223 -0.283 0.000 2.162 1299 L HA -0.016 4.324 4.340 0.000 0.000 0.205 1299 L C 1.986 178.860 176.870 0.007 0.000 1.086 1299 L CA 0.980 55.681 54.840 -0.232 0.000 0.778 1299 L CB -0.303 41.603 42.059 -0.255 0.000 0.928 1299 L HN 0.100 nan 8.230 nan 0.000 0.446 1300 I N -3.442 117.158 120.570 0.050 0.000 3.680 1300 I HA 0.125 4.295 4.170 0.000 0.000 0.306 1300 I C 0.622 176.799 176.117 0.099 0.000 1.260 1300 I CA 0.918 62.293 61.300 0.124 0.000 1.201 1300 I CB -0.929 37.155 38.000 0.140 0.000 1.009 1300 I HN 0.043 nan 8.210 nan 0.000 0.467 1301 T N -0.641 113.939 114.554 0.043 0.000 3.087 1301 T HA 0.255 4.605 4.350 0.000 0.000 0.283 1301 T C 1.263 175.974 174.700 0.018 0.000 0.956 1301 T CA -0.074 62.045 62.100 0.031 0.000 0.894 1301 T CB 0.247 69.120 68.868 0.009 0.000 1.160 1301 T HN 0.284 nan 8.240 nan 0.000 0.532 1302 M N 1.913 121.527 119.600 0.022 0.000 2.276 1302 M HA 0.241 4.721 4.480 0.000 0.000 0.262 1302 M C 1.729 178.037 176.300 0.015 0.000 1.098 1302 M CA 1.345 56.661 55.300 0.027 0.000 1.167 1302 M CB -0.761 31.880 32.600 0.068 0.000 1.337 1302 M HN 0.251 nan 8.290 nan 0.000 0.446 1303 L N -0.054 121.183 121.223 0.024 0.000 2.263 1303 L HA -0.184 4.156 4.340 0.000 0.000 0.216 1303 L C 1.881 178.715 176.870 -0.061 0.000 1.111 1303 L CA 1.125 55.954 54.840 -0.019 0.000 0.773 1303 L CB -1.429 40.626 42.059 -0.006 0.000 0.906 1303 L HN 0.306 nan 8.230 nan 0.000 0.439 1304 E N 0.583 120.769 120.200 -0.024 0.000 2.393 1304 E HA -0.211 4.139 4.350 0.000 0.000 0.201 1304 E C 1.831 178.399 176.600 -0.053 0.000 1.025 1304 E CA 1.277 57.658 56.400 -0.030 0.000 0.856 1304 E CB 0.084 29.791 29.700 0.011 0.000 0.771 1304 E HN 0.713 nan 8.360 nan 0.000 0.526 1305 A N 0.080 122.868 122.820 -0.053 0.000 1.917 1305 A HA 0.405 4.725 4.320 0.000 0.000 0.200 1305 A C 2.158 179.703 177.584 -0.064 0.000 1.671 1305 A CA 0.536 52.542 52.037 -0.052 0.000 1.034 1305 A CB -0.218 18.763 19.000 -0.031 0.000 1.057 1305 A HN 0.177 nan 8.150 nan 0.000 0.507 1306 A N 0.011 122.793 122.820 -0.063 0.000 2.032 1306 A HA -0.077 4.243 4.320 0.000 0.000 0.221 1306 A C 1.751 179.294 177.584 -0.069 0.000 1.165 1306 A CA 1.806 53.802 52.037 -0.067 0.000 0.645 1306 A CB -0.510 18.444 19.000 -0.077 0.000 0.807 1306 A HN 0.404 nan 8.150 nan 0.000 0.453 1307 L N -1.006 120.148 121.223 -0.115 0.000 2.395 1307 L HA 0.090 4.430 4.340 0.000 0.000 0.218 1307 L C 2.407 179.212 176.870 -0.109 0.000 1.130 1307 L CA 1.426 56.178 54.840 -0.145 0.000 0.826 1307 L CB -0.638 41.170 42.059 -0.419 0.000 0.941 1307 L HN 0.374 nan 8.230 nan 0.000 0.451 1308 G N -1.472 107.274 108.800 -0.091 0.000 2.838 1308 G HA2 0.149 4.109 3.960 0.000 0.000 0.210 1308 G HA3 0.149 4.109 3.960 0.000 0.000 0.210 1308 G C 0.839 175.725 174.900 -0.022 0.000 1.153 1308 G CA -0.323 44.745 45.100 -0.054 0.000 0.778 1308 G HN 0.140 nan 8.290 nan 0.000 0.539 1309 L N 0.269 121.479 121.223 -0.022 0.000 2.472 1309 L HA 0.045 4.385 4.340 0.000 0.000 0.273 1309 L C 1.850 178.721 176.870 0.002 0.000 1.254 1309 L CA -0.061 54.771 54.840 -0.013 0.000 0.823 1309 L CB 0.482 42.530 42.059 -0.018 0.000 1.096 1309 L HN 0.146 nan 8.230 nan 0.000 0.521 1310 E N 0.378 120.578 120.200 -0.001 0.000 2.472 1310 E HA -0.155 4.195 4.350 0.000 0.000 0.200 1310 E C 1.131 177.737 176.600 0.010 0.000 1.046 1310 E CA 0.729 57.131 56.400 0.003 0.000 0.871 1310 E CB 0.282 29.980 29.700 -0.003 0.000 0.806 1310 E HN 0.378 nan 8.360 nan 0.000 0.533 1311 R N -0.259 120.251 120.500 0.017 0.000 2.690 1311 R HA 0.294 4.634 4.340 0.000 0.000 0.419 1311 R C -0.950 175.404 176.300 0.090 0.000 1.090 1311 R CA 0.019 56.136 56.100 0.027 0.000 1.064 1311 R CB 0.852 31.152 30.300 0.001 0.000 1.391 1311 R HN -0.005 nan 8.270 nan 0.000 0.586 1312 A N 0.984 123.860 122.820 0.094 0.000 2.363 1312 A HA 0.378 4.698 4.320 0.000 0.000 0.270 1312 A C -0.274 177.384 177.584 0.124 0.000 1.121 1312 A CA -0.464 51.651 52.037 0.131 0.000 0.800 1312 A CB 0.119 19.192 19.000 0.122 0.000 1.052 1312 A HN 0.590 nan 8.150 nan 0.000 0.493 1313 H N 0.934 119.970 119.070 -0.057 0.000 3.513 1313 H HA 0.481 5.037 4.556 0.000 0.000 0.278 1313 H C 1.026 176.158 175.328 -0.327 0.000 1.683 1313 H CA -0.355 55.604 56.048 -0.148 0.000 1.552 1313 H CB 0.439 30.146 29.762 -0.092 0.000 1.474 1313 H HN 0.579 nan 8.280 nan 0.000 0.870 1314 M N 0.227 119.699 119.600 -0.214 0.000 2.191 1314 M HA 0.105 4.585 4.480 0.000 0.000 0.262 1314 M C 2.146 178.295 176.300 -0.252 0.000 1.083 1314 M CA 1.785 56.868 55.300 -0.362 0.000 1.154 1314 M CB -0.599 31.889 32.600 -0.188 0.000 1.344 1314 M HN 0.729 nan 8.290 nan 0.000 0.431 1315 G N 1.382 110.144 108.800 -0.062 0.000 2.547 1315 G HA2 -0.314 3.646 3.960 0.000 0.000 0.221 1315 G HA3 -0.314 3.646 3.960 0.000 0.000 0.221 1315 G C 1.359 176.241 174.900 -0.031 0.000 1.140 1315 G CA 1.601 46.706 45.100 0.009 0.000 0.760 1315 G HN 0.511 nan 8.290 nan 0.000 0.583 1316 M N -0.138 119.350 119.600 -0.186 0.000 2.399 1316 M HA -0.084 4.396 4.480 0.000 0.000 0.263 1316 M C 2.489 178.895 176.300 0.176 0.000 1.067 1316 M CA 2.016 57.299 55.300 -0.029 0.000 1.084 1316 M CB -1.095 31.467 32.600 -0.063 0.000 1.252 1316 M HN 0.283 nan 8.290 nan 0.000 0.454 1317 F N 0.314 120.169 119.950 -0.159 0.000 2.111 1317 F HA -0.290 4.237 4.527 0.000 0.000 0.300 1317 F C 2.671 178.476 175.800 0.008 0.000 1.088 1317 F CA 1.136 59.120 58.000 -0.026 0.000 1.243 1317 F CB -1.355 37.647 39.000 0.002 0.000 0.996 1317 F HN 0.293 nan 8.300 nan 0.000 0.483 1318 T N -0.097 114.569 114.554 0.186 0.000 2.569 1318 T HA -0.190 4.160 4.350 0.000 0.000 0.263 1318 T C 1.738 176.461 174.700 0.038 0.000 1.074 1318 T CA 1.624 63.772 62.100 0.081 0.000 1.176 1318 T CB -0.384 68.513 68.868 0.047 0.000 0.863 1318 T HN 0.169 nan 8.240 nan 0.000 0.410 1319 E N 1.305 121.539 120.200 0.057 0.000 2.130 1319 E HA -0.125 4.225 4.350 0.000 0.000 0.196 1319 E C 2.214 178.851 176.600 0.062 0.000 0.998 1319 E CA 0.630 57.072 56.400 0.069 0.000 0.806 1319 E CB -0.840 28.920 29.700 0.099 0.000 0.738 1319 E HN 0.326 nan 8.360 nan 0.000 0.459 1320 L N 0.957 122.199 121.223 0.032 0.000 2.081 1320 L HA -0.162 4.178 4.340 0.000 0.000 0.212 1320 L C 2.139 178.952 176.870 -0.096 0.000 1.080 1320 L CA 2.179 57.009 54.840 -0.017 0.000 0.754 1320 L CB -0.732 41.269 42.059 -0.096 0.000 0.893 1320 L HN 0.073 nan 8.230 nan 0.000 0.433 1321 A N -0.249 122.459 122.820 -0.187 0.000 1.897 1321 A HA -0.104 4.216 4.320 0.000 0.000 0.215 1321 A C 2.204 179.756 177.584 -0.052 0.000 1.181 1321 A CA 1.630 53.533 52.037 -0.223 0.000 0.620 1321 A CB -0.846 18.004 19.000 -0.250 0.000 0.821 1321 A HN 0.526 nan 8.150 nan 0.000 0.443 1322 I N -0.241 120.321 120.570 -0.014 0.000 2.502 1322 I HA -0.292 3.878 4.170 0.000 0.000 0.258 1322 I C 2.055 178.193 176.117 0.034 0.000 1.172 1322 I CA 0.959 62.255 61.300 -0.007 0.000 1.430 1322 I CB -0.380 37.652 38.000 0.053 0.000 1.086 1322 I HN 0.323 nan 8.210 nan 0.000 0.440 1323 L N -1.411 119.929 121.223 0.195 0.000 2.185 1323 L HA -0.069 4.271 4.340 0.000 0.000 0.198 1323 L C 2.402 179.497 176.870 0.375 0.000 1.079 1323 L CA 0.683 55.799 54.840 0.460 0.000 0.780 1323 L CB -0.856 41.466 42.059 0.438 0.000 0.955 1323 L HN 0.013 nan 8.230 nan 0.000 0.462 1324 Y N 1.369 121.696 120.300 0.045 0.000 2.365 1324 Y HA -0.262 4.288 4.550 0.000 0.000 0.287 1324 Y C 3.011 178.851 175.900 -0.099 0.000 1.162 1324 Y CA 1.040 59.135 58.100 -0.008 0.000 1.260 1324 Y CB -0.859 37.565 38.460 -0.059 0.000 0.976 1324 Y HN 0.335 nan 8.280 nan 0.000 0.548 1325 S N 0.673 116.339 115.700 -0.056 0.000 2.336 1325 S HA -0.136 4.334 4.470 0.000 0.000 0.214 1325 S C 0.986 175.373 174.600 -0.354 0.000 1.032 1325 S CA 0.877 58.941 58.200 -0.225 0.000 1.001 1325 S CB -0.519 62.512 63.200 -0.281 0.000 0.953 1325 S HN 0.444 nan 8.310 nan 0.000 0.430 1326 K N 0.506 120.523 120.400 -0.638 0.000 2.423 1326 K HA 0.540 4.860 4.320 0.000 0.000 0.234 1326 K C -1.311 174.512 176.600 -1.296 0.000 1.051 1326 K CA -0.544 55.347 56.287 -0.660 0.000 1.021 1326 K CB 0.324 32.396 32.500 -0.713 0.000 1.474 1326 K HN 0.373 nan 8.250 nan 0.000 0.474 1327 F N 0.163 120.045 119.950 -0.115 0.000 1.971 1327 F HA 0.171 4.698 4.527 0.000 0.000 0.229 1327 F C -0.587 175.138 175.800 -0.125 0.000 1.299 1327 F CA -0.737 57.180 58.000 -0.137 0.000 1.133 1327 F CB -0.079 38.823 39.000 -0.164 0.000 2.134 1327 F HN 0.049 nan 8.300 nan 0.000 0.102 1328 K N 3.287 123.738 120.400 0.085 0.000 2.307 1328 K HA 0.178 4.498 4.320 0.000 0.000 0.285 1328 K C -2.265 174.282 176.600 -0.088 0.000 1.073 1328 K CA -1.042 55.205 56.287 -0.068 0.000 0.996 1328 K CB 0.613 32.986 32.500 -0.212 0.000 0.994 1328 K HN -0.013 nan 8.250 nan 0.000 0.452 1329 P HA -0.257 nan 4.420 nan 0.000 0.197 1329 P C 0.903 178.186 177.300 -0.028 0.000 1.076 1329 P CA 0.659 63.738 63.100 -0.035 0.000 0.876 1329 P CB 0.024 31.713 31.700 -0.018 0.000 0.705 1330 Q N 0.399 120.188 119.800 -0.019 0.000 2.473 1330 Q HA -0.406 3.934 4.340 0.000 0.000 0.238 1330 Q C 1.667 177.669 176.000 0.003 0.000 1.088 1330 Q CA 2.530 58.326 55.803 -0.011 0.000 0.989 1330 Q CB -1.962 26.762 28.738 -0.023 0.000 0.972 1330 Q HN 0.178 nan 8.270 nan 0.000 0.543 1331 K N 0.471 120.858 120.400 -0.021 0.000 2.160 1331 K HA -0.146 4.174 4.320 0.000 0.000 0.206 1331 K C 2.243 178.987 176.600 0.240 0.000 1.047 1331 K CA 1.652 57.970 56.287 0.052 0.000 0.930 1331 K CB -0.430 32.025 32.500 -0.075 0.000 0.720 1331 K HN 0.447 nan 8.250 nan 0.000 0.450 1332 M N 1.771 121.503 119.600 0.219 0.000 2.128 1332 M HA -0.300 4.180 4.480 0.000 0.000 0.253 1332 M C 2.058 178.481 176.300 0.206 0.000 1.079 1332 M CA 1.896 57.414 55.300 0.363 0.000 1.082 1332 M CB -0.458 32.229 32.600 0.144 0.000 1.335 1332 M HN 0.135 nan 8.290 nan 0.000 0.401 1333 R N -0.226 120.332 120.500 0.095 0.000 2.062 1333 R HA -0.174 4.166 4.340 0.000 0.000 0.229 1333 R C 2.030 178.323 176.300 -0.010 0.000 1.128 1333 R CA 1.846 57.947 56.100 0.002 0.000 0.960 1333 R CB -0.375 29.897 30.300 -0.047 0.000 0.855 1333 R HN 0.380 nan 8.270 nan 0.000 0.432 1334 E N 0.098 120.319 120.200 0.035 0.000 2.113 1334 E HA -0.312 4.038 4.350 0.000 0.000 0.210 1334 E C 1.813 178.402 176.600 -0.018 0.000 1.040 1334 E CA 2.142 58.548 56.400 0.011 0.000 0.847 1334 E CB -0.352 29.407 29.700 0.098 0.000 0.755 1334 E HN 0.454 nan 8.360 nan 0.000 0.459 1335 H N 0.475 119.554 119.070 0.014 0.000 2.253 1335 H HA -0.125 4.431 4.556 0.000 0.000 0.299 1335 H C 2.205 177.449 175.328 -0.138 0.000 1.064 1335 H CA 2.139 58.179 56.048 -0.013 0.000 1.264 1335 H CB -0.681 29.052 29.762 -0.048 0.000 1.371 1335 H HN 0.214 nan 8.280 nan 0.000 0.493 1336 L N 0.347 121.832 121.223 0.438 0.000 1.976 1336 L HA -0.247 4.093 4.340 0.000 0.000 0.223 1336 L C 2.704 179.531 176.870 -0.071 0.000 1.081 1336 L CA 2.147 57.157 54.840 0.284 0.000 0.784 1336 L CB -1.058 41.080 42.059 0.132 0.000 0.896 1336 L HN 0.288 nan 8.230 nan 0.000 0.438 1337 E N 0.269 120.274 120.200 -0.325 0.000 2.253 1337 E HA -0.221 4.129 4.350 0.000 0.000 0.202 1337 E C 1.954 178.292 176.600 -0.435 0.000 1.014 1337 E CA 1.441 57.510 56.400 -0.551 0.000 0.823 1337 E CB -0.139 29.244 29.700 -0.529 0.000 0.736 1337 E HN 0.462 nan 8.360 nan 0.000 0.478 1338 L N -1.485 119.433 121.223 -0.509 0.000 2.185 1338 L HA 0.120 4.460 4.340 0.000 0.000 0.198 1338 L C 0.202 176.806 176.870 -0.443 0.000 1.079 1338 L CA 0.108 54.512 54.840 -0.726 0.000 0.780 1338 L CB 0.054 41.146 42.059 -1.612 0.000 0.955 1338 L HN 0.011 nan 8.230 nan 0.000 0.462 1339 F N 0.183 120.162 119.950 0.048 0.000 2.359 1339 F HA 0.139 4.666 4.527 0.000 0.000 0.355 1339 F C 0.544 176.591 175.800 0.412 0.000 1.132 1339 F CA -1.099 57.015 58.000 0.189 0.000 1.246 1339 F CB -0.175 38.770 39.000 -0.092 0.000 1.569 1339 F HN 0.201 nan 8.300 nan 0.000 0.561 1340 W N -0.654 120.763 121.300 0.195 0.000 2.866 1340 W HA 0.204 4.864 4.660 0.000 0.000 0.258 1340 W C 1.614 178.203 176.519 0.118 0.000 1.183 1340 W CA 0.664 58.115 57.345 0.176 0.000 1.451 1340 W CB -1.167 28.397 29.460 0.174 0.000 0.959 1340 W HN 0.361 nan 8.180 nan 0.000 0.622 1341 S N 1.988 117.491 115.700 -0.327 0.000 2.335 1341 S HA -0.037 4.433 4.470 0.000 0.000 0.217 1341 S C 1.103 175.595 174.600 -0.179 0.000 1.032 1341 S CA 0.735 58.698 58.200 -0.395 0.000 0.985 1341 S CB -0.396 62.488 63.200 -0.527 0.000 0.896 1341 S HN 0.181 nan 8.310 nan 0.000 0.445 1342 R N 1.141 121.568 120.500 -0.121 0.000 3.688 1342 R HA 0.460 4.800 4.340 0.000 0.000 0.194 1342 R C -0.834 175.342 176.300 -0.206 0.000 1.677 1342 R CA -0.061 55.878 56.100 -0.267 0.000 1.351 1342 R CB 0.063 30.036 30.300 -0.544 0.000 1.338 1342 R HN 0.214 nan 8.270 nan 0.000 0.731 1343 V N 0.581 120.439 119.914 -0.094 0.000 3.121 1343 V HA 0.071 4.191 4.120 0.000 0.000 0.263 1343 V C -1.376 174.718 176.094 -0.000 0.000 1.795 1343 V CA -1.129 61.171 62.300 0.000 0.000 0.979 1343 V CB 2.261 34.187 31.823 0.172 0.000 1.335 1343 V HN 0.696 nan 8.190 nan 0.000 0.462 1344 N N 2.747 121.457 118.700 0.016 0.000 2.379 1344 N HA 0.500 5.240 4.740 0.000 0.000 0.260 1344 N C 0.313 175.853 175.510 0.051 0.000 1.254 1344 N CA 0.457 53.518 53.050 0.017 0.000 0.958 1344 N CB 1.548 40.048 38.487 0.021 0.000 1.208 1344 N HN 0.734 nan 8.380 nan 0.000 0.532 1345 I N -1.566 119.049 120.570 0.075 0.000 4.547 1345 I HA 0.164 4.334 4.170 0.000 0.000 0.303 1345 I C -1.228 175.005 176.117 0.193 0.000 1.188 1345 I CA -0.406 60.990 61.300 0.159 0.000 1.320 1345 I CB -0.339 37.801 38.000 0.233 0.000 1.495 1345 I HN 0.352 nan 8.210 nan 0.000 0.462 1346 P HA -0.234 nan 4.420 nan 0.000 0.214 1346 P C 1.596 178.934 177.300 0.064 0.000 1.162 1346 P CA 1.712 64.897 63.100 0.142 0.000 0.879 1346 P CB -0.073 31.707 31.700 0.133 0.000 0.786 1347 K N 0.941 121.370 120.400 0.049 0.000 2.032 1347 K HA -0.090 4.231 4.320 0.000 0.000 0.209 1347 K C 1.992 178.593 176.600 0.001 0.000 1.048 1347 K CA 1.487 57.787 56.287 0.022 0.000 0.927 1347 K CB -1.229 31.285 32.500 0.023 0.000 0.712 1347 K HN -0.035 nan 8.250 nan 0.000 0.441 1348 V N 2.370 122.287 119.914 0.004 0.000 2.380 1348 V HA -0.256 3.864 4.120 0.000 0.000 0.251 1348 V C 2.583 178.638 176.094 -0.066 0.000 1.063 1348 V CA 1.696 63.979 62.300 -0.028 0.000 1.055 1348 V CB -0.471 31.344 31.823 -0.013 0.000 0.657 1348 V HN 0.290 nan 8.190 nan 0.000 0.455 1349 L N -0.748 120.442 121.223 -0.056 0.000 2.353 1349 L HA -0.116 4.224 4.340 0.000 0.000 0.220 1349 L C 2.174 178.997 176.870 -0.077 0.000 1.133 1349 L CA 0.981 55.770 54.840 -0.085 0.000 0.798 1349 L CB -0.284 41.746 42.059 -0.047 0.000 0.922 1349 L HN 0.221 nan 8.230 nan 0.000 0.445 1350 R N -0.664 119.800 120.500 -0.061 0.000 2.466 1350 R HA 0.226 4.566 4.340 0.000 0.000 0.279 1350 R C 0.828 177.069 176.300 -0.097 0.000 0.976 1350 R CA 0.487 56.547 56.100 -0.066 0.000 1.081 1350 R CB 0.245 30.525 30.300 -0.034 0.000 1.215 1350 R HN 0.165 nan 8.270 nan 0.000 0.546 1351 A N -1.943 120.804 122.820 -0.122 0.000 2.474 1351 A HA 0.509 4.829 4.320 0.000 0.000 0.221 1351 A C 1.331 178.794 177.584 -0.202 0.000 1.298 1351 A CA 0.460 52.404 52.037 -0.155 0.000 1.008 1351 A CB 0.317 19.248 19.000 -0.115 0.000 1.217 1351 A HN 0.206 nan 8.150 nan 0.000 0.553 1352 A N 0.203 122.907 122.820 -0.193 0.000 1.944 1352 A HA 0.281 4.601 4.320 0.000 0.000 0.209 1352 A C 1.529 178.936 177.584 -0.296 0.000 1.328 1352 A CA 1.164 53.060 52.037 -0.234 0.000 0.693 1352 A CB -0.244 18.624 19.000 -0.220 0.000 0.994 1352 A HN 0.214 nan 8.150 nan 0.000 0.485 1353 E N -0.065 119.997 120.200 -0.229 0.000 2.478 1353 E HA -0.109 4.241 4.350 0.000 0.000 0.198 1353 E C 1.651 178.038 176.600 -0.355 0.000 1.046 1353 E CA 1.093 57.357 56.400 -0.225 0.000 0.870 1353 E CB -0.055 29.602 29.700 -0.072 0.000 0.818 1353 E HN 0.752 nan 8.360 nan 0.000 0.527 1354 Q N 0.047 119.652 119.800 -0.325 0.000 2.320 1354 Q HA 0.275 4.615 4.340 0.000 0.000 0.201 1354 Q C -0.643 175.101 176.000 -0.426 0.000 0.910 1354 Q CA 0.092 55.697 55.803 -0.329 0.000 0.946 1354 Q CB 0.702 29.308 28.738 -0.219 0.000 1.062 1354 Q HN 0.023 nan 8.270 nan 0.000 0.503 1355 A N 0.371 122.886 122.820 -0.508 0.000 2.480 1355 A HA 0.390 4.710 4.320 0.000 0.000 0.289 1355 A C -1.349 175.895 177.584 -0.566 0.000 1.044 1355 A CA -0.790 50.973 52.037 -0.456 0.000 0.761 1355 A CB 0.475 19.269 19.000 -0.344 0.000 1.289 1355 A HN 0.389 nan 8.150 nan 0.000 0.401 1356 H N 3.584 122.401 119.070 -0.422 0.000 2.989 1356 H HA 0.138 4.694 4.556 0.000 0.000 0.284 1356 H C 0.304 175.181 175.328 -0.751 0.000 1.440 1356 H CA 0.015 55.585 56.048 -0.797 0.000 1.209 1356 H CB -0.307 29.078 29.762 -0.628 0.000 1.453 1356 H HN 0.508 nan 8.280 nan 0.000 0.550 1357 L N 0.190 121.184 121.223 -0.382 0.000 2.930 1357 L HA -0.002 4.338 4.340 0.000 0.000 0.250 1357 L C 0.947 177.766 176.870 -0.083 0.000 1.320 1357 L CA -0.264 54.474 54.840 -0.169 0.000 1.163 1357 L CB -0.687 41.302 42.059 -0.117 0.000 1.542 1357 L HN 0.416 nan 8.230 nan 0.000 0.428 1358 W N 0.571 121.872 121.300 0.001 0.000 2.258 1358 W HA -0.382 4.278 4.660 0.000 0.000 0.302 1358 W C 2.495 179.054 176.519 0.065 0.000 1.241 1358 W CA 0.937 58.285 57.345 0.005 0.000 1.246 1358 W CB -0.544 28.912 29.460 -0.007 0.000 1.134 1358 W HN 0.444 nan 8.180 nan 0.000 0.531 1359 A N 0.719 123.738 122.820 0.332 0.000 1.869 1359 A HA -0.309 4.011 4.320 0.000 0.000 0.218 1359 A C 1.798 179.475 177.584 0.154 0.000 1.203 1359 A CA 2.492 54.653 52.037 0.207 0.000 0.638 1359 A CB -0.792 18.294 19.000 0.142 0.000 0.831 1359 A HN 0.327 nan 8.150 nan 0.000 0.450 1360 E N -0.647 119.609 120.200 0.093 0.000 2.102 1360 E HA 0.079 4.429 4.350 0.000 0.000 0.190 1360 E C 1.940 178.573 176.600 0.055 0.000 0.971 1360 E CA 0.549 56.982 56.400 0.056 0.000 0.821 1360 E CB -0.421 29.279 29.700 0.001 0.000 0.777 1360 E HN 0.556 nan 8.360 nan 0.000 0.460 1361 L N 0.515 121.733 121.223 -0.007 0.000 2.129 1361 L HA -0.200 4.140 4.340 0.000 0.000 0.212 1361 L C 1.697 178.510 176.870 -0.094 0.000 1.087 1361 L CA 1.050 55.812 54.840 -0.128 0.000 0.757 1361 L CB 0.016 41.966 42.059 -0.182 0.000 0.896 1361 L HN 0.060 nan 8.230 nan 0.000 0.434 1362 V N -0.646 119.383 119.914 0.191 0.000 2.346 1362 V HA -0.281 3.839 4.120 0.000 0.000 0.244 1362 V C 2.168 178.385 176.094 0.205 0.000 1.037 1362 V CA 1.886 64.391 62.300 0.342 0.000 1.029 1362 V CB -0.745 31.280 31.823 0.336 0.000 0.663 1362 V HN 0.471 nan 8.190 nan 0.000 0.454 1363 F N 0.690 120.655 119.950 0.025 0.000 2.154 1363 F HA -0.245 4.282 4.527 0.000 0.000 0.301 1363 F C 2.023 177.792 175.800 -0.051 0.000 1.087 1363 F CA 1.670 59.650 58.000 -0.033 0.000 1.274 1363 F CB -0.225 38.733 39.000 -0.071 0.000 1.009 1363 F HN 0.040 nan 8.300 nan 0.000 0.485 1364 L N -1.147 120.120 121.223 0.075 0.000 1.956 1364 L HA -0.303 4.037 4.340 0.000 0.000 0.216 1364 L C 2.422 179.263 176.870 -0.049 0.000 1.073 1364 L CA 1.781 56.612 54.840 -0.015 0.000 0.762 1364 L CB -1.541 40.406 42.059 -0.187 0.000 0.889 1364 L HN 0.104 nan 8.230 nan 0.000 0.433 1365 Y N 0.544 120.832 120.300 -0.020 0.000 2.102 1365 Y HA -0.347 4.203 4.550 0.000 0.000 0.280 1365 Y C 2.423 178.201 175.900 -0.203 0.000 1.178 1365 Y CA 1.616 59.648 58.100 -0.113 0.000 1.146 1365 Y CB -1.020 37.359 38.460 -0.135 0.000 0.968 1365 Y HN 0.361 nan 8.280 nan 0.000 0.504 1366 D N 0.098 120.413 120.400 -0.142 0.000 2.182 1366 D HA -0.217 4.423 4.640 0.000 0.000 0.193 1366 D C 1.947 177.991 176.300 -0.425 0.000 0.999 1366 D CA 2.114 55.862 54.000 -0.420 0.000 0.850 1366 D CB -0.029 40.480 40.800 -0.486 0.000 0.994 1366 D HN -0.039 nan 8.370 nan 0.000 0.450 1367 K N -0.730 119.434 120.400 -0.393 0.000 2.152 1367 K HA -0.182 4.138 4.320 0.000 0.000 0.206 1367 K C 2.197 178.804 176.600 0.012 0.000 1.048 1367 K CA 0.732 56.929 56.287 -0.149 0.000 0.933 1367 K CB -0.868 31.624 32.500 -0.013 0.000 0.721 1367 K HN 0.432 nan 8.250 nan 0.000 0.447 1368 Y N 1.839 122.080 120.300 -0.098 0.000 2.403 1368 Y HA -0.208 4.342 4.550 0.000 0.000 0.291 1368 Y C 0.120 175.973 175.900 -0.079 0.000 1.143 1368 Y CA 1.417 59.493 58.100 -0.039 0.000 1.257 1368 Y CB 0.075 38.530 38.460 -0.007 0.000 0.984 1368 Y HN 0.255 nan 8.280 nan 0.000 0.550 1369 E N -1.029 119.166 120.200 -0.008 0.000 3.547 1369 E HA -0.201 4.149 4.350 0.000 0.000 0.309 1369 E C -0.093 176.461 176.600 -0.076 0.000 0.855 1369 E CA 0.730 57.024 56.400 -0.176 0.000 1.122 1369 E CB -1.406 28.340 29.700 0.076 0.000 1.569 1369 E HN 0.400 nan 8.360 nan 0.000 0.429 1370 E N -0.149 120.023 120.200 -0.047 0.000 2.320 1370 E HA 0.063 4.413 4.350 0.000 0.000 0.234 1370 E C 0.295 176.839 176.600 -0.094 0.000 1.290 1370 E CA -0.069 56.310 56.400 -0.035 0.000 1.545 1370 E CB -0.278 29.337 29.700 -0.142 0.000 1.379 1370 E HN 0.427 nan 8.360 nan 0.000 0.437 1371 Y N 1.700 121.975 120.300 -0.042 0.000 2.133 1371 Y HA -0.370 4.180 4.550 0.000 0.000 0.279 1371 Y C 2.228 178.012 175.900 -0.194 0.000 1.209 1371 Y CA 1.675 59.706 58.100 -0.115 0.000 1.152 1371 Y CB -0.546 37.840 38.460 -0.123 0.000 0.961 1371 Y HN 0.285 nan 8.280 nan 0.000 0.512 1372 D N -0.316 120.096 120.400 0.020 0.000 2.200 1372 D HA -0.266 4.374 4.640 0.000 0.000 0.192 1372 D C 1.323 177.519 176.300 -0.174 0.000 1.008 1372 D CA 2.219 56.158 54.000 -0.100 0.000 0.872 1372 D CB -0.839 39.917 40.800 -0.074 0.000 0.923 1372 D HN 0.395 nan 8.370 nan 0.000 0.447 1373 N N 0.372 118.916 118.700 -0.260 0.000 2.305 1373 N HA 0.123 4.863 4.740 0.000 0.000 0.179 1373 N C 1.983 177.193 175.510 -0.500 0.000 1.019 1373 N CA 1.241 54.009 53.050 -0.469 0.000 0.869 1373 N CB -0.366 37.642 38.487 -0.799 0.000 1.000 1373 N HN 0.362 nan 8.380 nan 0.000 0.431 1374 A N 2.209 124.814 122.820 -0.358 0.000 1.883 1374 A HA -0.108 4.212 4.320 0.000 0.000 0.217 1374 A C 2.146 179.695 177.584 -0.059 0.000 1.186 1374 A CA 0.991 52.990 52.037 -0.062 0.000 0.624 1374 A CB -0.545 18.456 19.000 0.002 0.000 0.822 1374 A HN 0.100 nan 8.150 nan 0.000 0.444 1375 I N 0.176 120.646 120.570 -0.167 0.000 2.226 1375 I HA -0.237 3.933 4.170 0.000 0.000 0.245 1375 I C 2.395 178.454 176.117 -0.097 0.000 1.100 1375 I CA 1.414 62.531 61.300 -0.306 0.000 1.374 1375 I CB -1.045 36.684 38.000 -0.451 0.000 1.057 1375 I HN 0.342 nan 8.210 nan 0.000 0.413 1376 I N 0.653 121.166 120.570 -0.095 0.000 2.335 1376 I HA -0.266 3.904 4.170 0.000 0.000 0.251 1376 I C 1.916 178.045 176.117 0.020 0.000 1.129 1376 I CA 1.321 62.590 61.300 -0.052 0.000 1.402 1376 I CB -0.713 37.243 38.000 -0.072 0.000 1.069 1376 I HN 0.190 nan 8.210 nan 0.000 0.424 1377 T N 0.588 115.227 114.554 0.143 0.000 3.139 1377 T HA -0.022 4.328 4.350 0.000 0.000 0.267 1377 T C 1.224 176.049 174.700 0.207 0.000 1.164 1377 T CA 0.924 63.276 62.100 0.420 0.000 1.075 1377 T CB -0.258 68.921 68.868 0.519 0.000 0.904 1377 T HN 0.361 nan 8.240 nan 0.000 0.540 1378 M N -0.363 119.245 119.600 0.015 0.000 2.596 1378 M HA 0.427 4.907 4.480 0.000 0.000 0.364 1378 M C 1.110 177.039 176.300 -0.619 0.000 1.158 1378 M CA -0.018 55.191 55.300 -0.153 0.000 0.940 1378 M CB 0.319 33.059 32.600 0.233 0.000 1.388 1378 M HN 0.183 nan 8.290 nan 0.000 0.522 1379 M N -1.007 118.284 119.600 -0.515 0.000 2.800 1379 M HA 0.168 4.648 4.480 0.000 0.000 0.257 1379 M C 0.824 176.808 176.300 -0.527 0.000 1.309 1379 M CA 1.093 56.089 55.300 -0.506 0.000 1.202 1379 M CB 0.259 32.690 32.600 -0.282 0.000 1.273 1379 M HN 0.282 nan 8.290 nan 0.000 0.528 1380 N N -0.254 117.911 118.700 -0.891 0.000 2.200 1380 N HA 0.104 4.844 4.740 0.000 0.000 0.224 1380 N C -0.626 174.094 175.510 -1.317 0.000 1.179 1380 N CA -0.023 52.453 53.050 -0.956 0.000 0.877 1380 N CB 0.703 38.675 38.487 -0.858 0.000 1.072 1380 N HN 0.296 nan 8.380 nan 0.000 0.519 1381 H N -1.475 117.193 119.070 -0.670 0.000 2.947 1381 H HA 0.203 4.759 4.556 0.000 0.000 0.222 1381 H C -2.343 172.738 175.328 -0.411 0.000 1.414 1381 H CA -1.285 54.260 56.048 -0.839 0.000 1.224 1381 H CB 0.549 29.210 29.762 -1.835 0.000 2.100 1381 H HN 0.061 nan 8.280 nan 0.000 0.524 1382 P HA -0.184 nan 4.420 nan 0.000 0.199 1382 P C 1.916 179.287 177.300 0.119 0.000 1.085 1382 P CA 2.650 65.745 63.100 -0.008 0.000 0.924 1382 P CB -0.114 31.645 31.700 0.099 0.000 0.736 1383 T N -2.706 111.897 114.554 0.082 0.000 2.774 1383 T HA -0.288 4.062 4.350 0.000 0.000 0.264 1383 T C 1.442 176.248 174.700 0.177 0.000 1.037 1383 T CA 2.298 64.478 62.100 0.134 0.000 1.152 1383 T CB -1.459 67.453 68.868 0.072 0.000 0.842 1383 T HN 0.138 nan 8.240 nan 0.000 0.483 1384 D N 0.872 121.360 120.400 0.148 0.000 2.197 1384 D HA 0.387 5.027 4.640 0.000 0.000 0.212 1384 D C 2.108 178.542 176.300 0.223 0.000 0.963 1384 D CA 1.009 55.115 54.000 0.176 0.000 0.864 1384 D CB -0.081 40.814 40.800 0.157 0.000 1.009 1384 D HN 0.518 nan 8.370 nan 0.000 0.479 1385 A N -1.158 121.806 122.820 0.240 0.000 2.140 1385 A HA 0.169 4.489 4.320 0.000 0.000 0.199 1385 A C 0.198 177.941 177.584 0.264 0.000 1.416 1385 A CA -0.515 51.673 52.037 0.253 0.000 1.018 1385 A CB -0.614 18.567 19.000 0.302 0.000 1.117 1385 A HN 0.316 nan 8.150 nan 0.000 0.480 1386 W N 2.009 123.376 121.300 0.113 0.000 2.345 1386 W HA 0.238 4.898 4.660 0.000 0.000 0.346 1386 W C 0.030 176.643 176.519 0.157 0.000 1.243 1386 W CA 1.213 58.645 57.345 0.145 0.000 1.327 1386 W CB 0.355 29.890 29.460 0.124 0.000 1.187 1386 W HN 0.082 nan 8.180 nan 0.000 0.588 1387 K N 5.508 125.432 120.400 -0.793 0.000 3.200 1387 K HA -0.012 4.308 4.320 0.000 0.000 0.179 1387 K C 0.373 176.383 176.600 -0.985 0.000 1.153 1387 K CA 0.134 55.969 56.287 -0.753 0.000 0.836 1387 K CB 0.907 33.250 32.500 -0.262 0.000 1.051 1387 K HN 0.761 nan 8.250 nan 0.000 0.594 1388 E N 0.547 119.593 120.200 -1.923 0.000 3.567 1388 E HA -0.367 3.983 4.350 0.000 0.000 0.471 1388 E C 1.197 177.694 176.600 -0.172 0.000 1.627 1388 E CA 2.677 58.604 56.400 -0.790 0.000 1.218 1388 E CB -1.219 28.277 29.700 -0.341 0.000 1.214 1388 E HN 0.585 nan 8.360 nan 0.000 0.385 1389 G N -0.638 108.102 108.800 -0.100 0.000 2.572 1389 G HA2 -0.206 3.754 3.960 0.000 0.000 0.216 1389 G HA3 -0.206 3.754 3.960 0.000 0.000 0.216 1389 G C 1.316 176.237 174.900 0.036 0.000 1.133 1389 G CA 0.887 46.000 45.100 0.021 0.000 0.791 1389 G HN 0.450 nan 8.290 nan 0.000 0.538 1390 Q N -0.429 119.342 119.800 -0.049 0.000 2.268 1390 Q HA -0.167 4.173 4.340 0.000 0.000 0.210 1390 Q C 1.814 177.875 176.000 0.102 0.000 0.988 1390 Q CA 1.348 57.151 55.803 -0.001 0.000 0.883 1390 Q CB -0.390 28.311 28.738 -0.060 0.000 0.911 1390 Q HN 0.490 nan 8.270 nan 0.000 0.430 1391 F N -0.126 119.844 119.950 0.033 0.000 2.664 1391 F HA 0.161 4.688 4.527 0.000 0.000 0.296 1391 F C 1.415 177.258 175.800 0.072 0.000 1.125 1391 F CA 0.658 58.746 58.000 0.146 0.000 1.444 1391 F CB 0.237 39.492 39.000 0.426 0.000 1.114 1391 F HN -0.062 nan 8.300 nan 0.000 0.576 1392 K N -0.227 120.331 120.400 0.264 0.000 2.217 1392 K HA -0.090 4.230 4.320 0.000 0.000 0.202 1392 K C 0.651 177.288 176.600 0.062 0.000 1.051 1392 K CA 1.258 57.637 56.287 0.152 0.000 0.952 1392 K CB -0.062 32.501 32.500 0.105 0.000 0.736 1392 K HN 0.244 nan 8.250 nan 0.000 0.453 1393 D N 0.009 120.432 120.400 0.037 0.000 2.363 1393 D HA 0.102 4.742 4.640 0.000 0.000 0.214 1393 D C 1.347 177.643 176.300 -0.007 0.000 1.093 1393 D CA 0.338 54.347 54.000 0.015 0.000 0.837 1393 D CB 0.451 41.272 40.800 0.034 0.000 0.948 1393 D HN 0.212 nan 8.370 nan 0.000 0.507 1394 I N -0.293 120.250 120.570 -0.045 0.000 2.899 1394 I HA -0.047 4.123 4.170 0.000 0.000 0.257 1394 I C 2.181 178.115 176.117 -0.306 0.000 1.115 1394 I CA -0.104 61.190 61.300 -0.011 0.000 1.451 1394 I CB 0.072 38.114 38.000 0.071 0.000 1.251 1394 I HN -0.165 nan 8.210 nan 0.000 0.456 1395 I N 1.519 121.924 120.570 -0.274 0.000 2.143 1395 I HA -0.380 3.790 4.170 0.000 0.000 0.245 1395 I C 2.420 178.493 176.117 -0.075 0.000 1.068 1395 I CA 2.014 63.157 61.300 -0.262 0.000 1.326 1395 I CB -0.439 37.478 38.000 -0.138 0.000 1.028 1395 I HN 0.173 nan 8.210 nan 0.000 0.412 1396 T N 0.639 115.160 114.554 -0.055 0.000 2.897 1396 T HA -0.139 4.211 4.350 0.000 0.000 0.271 1396 T C 1.336 175.938 174.700 -0.163 0.000 1.084 1396 T CA 1.071 63.142 62.100 -0.047 0.000 1.123 1396 T CB -0.149 68.684 68.868 -0.059 0.000 0.865 1396 T HN 0.189 nan 8.240 nan 0.000 0.496 1397 K N 1.525 121.671 120.400 -0.422 0.000 2.577 1397 K HA 0.316 4.636 4.320 0.000 0.000 0.210 1397 K C -0.285 176.074 176.600 -0.400 0.000 1.048 1397 K CA -0.029 55.938 56.287 -0.534 0.000 1.188 1397 K CB 0.251 32.126 32.500 -1.041 0.000 0.910 1397 K HN 0.212 nan 8.250 nan 0.000 0.483 1398 V N 0.131 119.923 119.914 -0.203 0.000 2.732 1398 V HA 0.380 4.500 4.120 0.000 0.000 0.310 1398 V C 1.105 177.203 176.094 0.007 0.000 1.053 1398 V CA -0.479 61.774 62.300 -0.077 0.000 0.957 1398 V CB 1.731 33.486 31.823 -0.114 0.000 1.018 1398 V HN 0.194 nan 8.190 nan 0.000 0.452 1399 A N 2.188 125.020 122.820 0.020 0.000 2.169 1399 A HA 0.159 4.479 4.320 0.000 0.000 0.210 1399 A C 0.974 178.589 177.584 0.051 0.000 1.168 1399 A CA 0.313 52.371 52.037 0.034 0.000 0.813 1399 A CB -0.139 18.879 19.000 0.029 0.000 0.861 1399 A HN 0.728 nan 8.150 nan 0.000 0.481 1400 N N 0.830 119.559 118.700 0.048 0.000 2.437 1400 N HA 0.248 4.988 4.740 0.000 0.000 0.259 1400 N C 0.356 175.936 175.510 0.116 0.000 0.983 1400 N CA -0.062 53.019 53.050 0.053 0.000 0.937 1400 N CB 1.742 40.234 38.487 0.009 0.000 1.122 1400 N HN -0.069 nan 8.380 nan 0.000 0.499 1401 V N 2.659 122.657 119.914 0.141 0.000 3.461 1401 V HA -0.031 4.089 4.120 0.000 0.000 0.267 1401 V C 2.281 178.263 176.094 -0.186 0.000 1.186 1401 V CA 0.435 62.841 62.300 0.177 0.000 1.154 1401 V CB -0.433 31.392 31.823 0.003 0.000 0.802 1401 V HN 0.666 nan 8.190 nan 0.000 0.474 1402 E N 1.359 121.502 120.200 -0.096 0.000 2.031 1402 E HA -0.216 4.134 4.350 0.000 0.000 0.193 1402 E C 2.217 178.654 176.600 -0.272 0.000 0.994 1402 E CA 1.277 57.614 56.400 -0.106 0.000 0.800 1402 E CB -0.357 29.402 29.700 0.098 0.000 0.752 1402 E HN 0.422 nan 8.360 nan 0.000 0.447 1403 L N 0.999 122.092 121.223 -0.216 0.000 2.064 1403 L HA -0.267 4.073 4.340 0.000 0.000 0.216 1403 L C 2.102 178.809 176.870 -0.273 0.000 1.077 1403 L CA 1.993 56.688 54.840 -0.242 0.000 0.766 1403 L CB -1.395 40.471 42.059 -0.323 0.000 0.890 1403 L HN 0.182 nan 8.230 nan 0.000 0.435 1404 Y N -0.382 119.703 120.300 -0.358 0.000 2.014 1404 Y HA -0.348 4.202 4.550 0.000 0.000 0.270 1404 Y C 2.641 178.403 175.900 -0.229 0.000 1.145 1404 Y CA 2.474 60.392 58.100 -0.304 0.000 1.106 1404 Y CB -1.467 36.729 38.460 -0.439 0.000 0.968 1404 Y HN 0.179 nan 8.280 nan 0.000 0.484 1405 Y N -0.235 120.132 120.300 0.112 0.000 2.062 1405 Y HA -0.334 4.216 4.550 0.000 0.000 0.276 1405 Y C 2.603 178.415 175.900 -0.146 0.000 1.189 1405 Y CA 1.547 59.605 58.100 -0.071 0.000 1.130 1405 Y CB -1.271 37.133 38.460 -0.092 0.000 0.959 1405 Y HN 0.092 nan 8.280 nan 0.000 0.499 1406 R N 0.800 121.329 120.500 0.050 0.000 2.120 1406 R HA -0.129 4.211 4.340 0.000 0.000 0.234 1406 R C 2.294 178.599 176.300 0.007 0.000 1.123 1406 R CA 1.049 57.144 56.100 -0.008 0.000 0.975 1406 R CB -0.396 29.906 30.300 0.004 0.000 0.866 1406 R HN 0.387 nan 8.270 nan 0.000 0.446 1407 A N 1.722 124.569 122.820 0.045 0.000 1.858 1407 A HA -0.161 4.159 4.320 0.000 0.000 0.216 1407 A C 2.122 179.822 177.584 0.194 0.000 1.190 1407 A CA 1.601 53.729 52.037 0.150 0.000 0.617 1407 A CB -0.648 18.479 19.000 0.212 0.000 0.827 1407 A HN 0.374 nan 8.150 nan 0.000 0.443 1408 I N -0.238 120.393 120.570 0.102 0.000 2.231 1408 I HA -0.447 3.723 4.170 0.000 0.000 0.251 1408 I C 2.759 178.904 176.117 0.048 0.000 1.076 1408 I CA 2.211 63.542 61.300 0.051 0.000 1.347 1408 I CB -0.518 37.427 38.000 -0.092 0.000 1.038 1408 I HN 0.619 nan 8.210 nan 0.000 0.429 1409 Q N 0.936 120.734 119.800 -0.004 0.000 1.993 1409 Q HA -0.272 4.068 4.340 0.000 0.000 0.202 1409 Q C 2.330 178.345 176.000 0.025 0.000 0.984 1409 Q CA 2.121 57.917 55.803 -0.012 0.000 0.837 1409 Q CB -0.309 28.429 28.738 -0.000 0.000 0.902 1409 Q HN 0.501 nan 8.270 nan 0.000 0.423 1410 F N -0.341 119.513 119.950 -0.161 0.000 2.287 1410 F HA -0.240 4.287 4.527 0.000 0.000 0.301 1410 F C 0.658 176.109 175.800 -0.582 0.000 1.069 1410 F CA 1.340 59.094 58.000 -0.410 0.000 1.372 1410 F CB 0.105 38.714 39.000 -0.653 0.000 1.056 1410 F HN 0.186 nan 8.300 nan 0.000 0.523 1411 Y N -2.016 118.230 120.300 -0.090 0.000 2.624 1411 Y HA 0.089 4.639 4.550 0.000 0.000 0.260 1411 Y C 1.834 177.680 175.900 -0.090 0.000 1.090 1411 Y CA 0.347 58.371 58.100 -0.126 0.000 1.347 1411 Y CB -1.085 37.348 38.460 -0.045 0.000 1.349 1411 Y HN -0.061 nan 8.280 nan 0.000 0.502 1412 L N 0.721 122.021 121.223 0.128 0.000 2.017 1412 L HA -0.129 4.211 4.340 0.000 0.000 0.208 1412 L C 2.079 178.919 176.870 -0.050 0.000 1.073 1412 L CA 1.829 56.698 54.840 0.049 0.000 0.745 1412 L CB -0.714 41.364 42.059 0.031 0.000 0.894 1412 L HN 0.130 nan 8.230 nan 0.000 0.432 1413 E N -0.347 119.793 120.200 -0.100 0.000 2.068 1413 E HA -0.276 4.074 4.350 0.000 0.000 0.207 1413 E C 1.987 178.209 176.600 -0.630 0.000 1.032 1413 E CA 2.454 58.661 56.400 -0.322 0.000 0.839 1413 E CB -0.414 29.142 29.700 -0.240 0.000 0.758 1413 E HN 0.638 nan 8.360 nan 0.000 0.457 1414 F N -0.923 118.939 119.950 -0.146 0.000 2.819 1414 F HA 0.191 4.718 4.527 0.000 0.000 0.325 1414 F C 0.783 176.473 175.800 -0.183 0.000 1.041 1414 F CA -0.596 57.301 58.000 -0.171 0.000 1.184 1414 F CB 0.399 39.258 39.000 -0.235 0.000 1.019 1414 F HN -0.259 nan 8.300 nan 0.000 0.590 1415 K N 3.514 123.879 120.400 -0.057 0.000 2.228 1415 K HA 0.225 4.545 4.320 0.000 0.000 0.284 1415 K C -2.575 174.036 176.600 0.019 0.000 1.088 1415 K CA -2.023 54.218 56.287 -0.076 0.000 0.941 1415 K CB 0.245 32.666 32.500 -0.131 0.000 1.158 1415 K HN -0.034 nan 8.250 nan 0.000 0.438 1416 P HA -0.075 nan 4.420 nan 0.000 0.273 1416 P C -0.349 176.986 177.300 0.058 0.000 1.324 1416 P CA -0.581 62.541 63.100 0.037 0.000 0.728 1416 P CB 0.173 31.887 31.700 0.024 0.000 1.614 1417 L N 1.946 123.200 121.223 0.051 0.000 2.747 1417 L HA -0.149 4.191 4.340 0.000 0.000 0.286 1417 L C 0.943 177.863 176.870 0.084 0.000 1.216 1417 L CA 1.376 56.252 54.840 0.060 0.000 0.930 1417 L CB -1.542 40.547 42.059 0.051 0.000 1.216 1417 L HN 0.344 nan 8.230 nan 0.000 0.486 1418 L N 2.963 124.239 121.223 0.087 0.000 4.447 1418 L HA -0.297 4.043 4.340 0.000 0.000 0.400 1418 L C 0.971 177.921 176.870 0.132 0.000 1.110 1418 L CA 0.512 55.418 54.840 0.110 0.000 1.010 1418 L CB -0.988 41.164 42.059 0.155 0.000 2.154 1418 L HN 0.692 nan 8.230 nan 0.000 0.685 1419 L N -1.876 119.415 121.223 0.113 0.000 2.221 1419 L HA 0.109 4.449 4.340 0.000 0.000 0.202 1419 L C 1.750 178.655 176.870 0.059 0.000 1.074 1419 L CA 1.977 56.877 54.840 0.100 0.000 0.795 1419 L CB -0.303 41.828 42.059 0.119 0.000 0.960 1419 L HN 0.252 nan 8.230 nan 0.000 0.458 1420 N N 0.121 118.859 118.700 0.062 0.000 2.120 1420 N HA -0.200 4.540 4.740 0.000 0.000 0.188 1420 N C 0.988 176.540 175.510 0.070 0.000 1.024 1420 N CA 1.540 54.625 53.050 0.058 0.000 0.852 1420 N CB -0.238 38.289 38.487 0.066 0.000 1.003 1420 N HN 0.463 nan 8.380 nan 0.000 0.424 1421 D N 1.069 121.508 120.400 0.066 0.000 2.263 1421 D HA -0.113 4.527 4.640 0.000 0.000 0.208 1421 D C 1.882 178.213 176.300 0.052 0.000 0.971 1421 D CA 0.297 54.335 54.000 0.063 0.000 0.867 1421 D CB -0.085 40.754 40.800 0.064 0.000 0.929 1421 D HN 0.181 nan 8.370 nan 0.000 0.492 1422 L N 0.387 121.631 121.223 0.035 0.000 2.141 1422 L HA -0.053 4.287 4.340 0.000 0.000 0.209 1422 L C 1.484 178.365 176.870 0.018 0.000 1.094 1422 L CA 1.384 56.218 54.840 -0.010 0.000 0.763 1422 L CB -0.536 41.471 42.059 -0.086 0.000 0.908 1422 L HN 0.142 nan 8.230 nan 0.000 0.437 1423 L N -0.856 120.392 121.223 0.041 0.000 2.376 1423 L HA -0.169 4.171 4.340 0.000 0.000 0.219 1423 L C 2.472 179.411 176.870 0.115 0.000 1.133 1423 L CA 0.282 55.164 54.840 0.071 0.000 0.816 1423 L CB -0.459 41.644 42.059 0.073 0.000 0.933 1423 L HN 0.240 nan 8.230 nan 0.000 0.449 1424 M N 0.206 119.862 119.600 0.092 0.000 2.126 1424 M HA -0.178 4.302 4.480 0.000 0.000 0.259 1424 M C 2.452 178.786 176.300 0.056 0.000 1.073 1424 M CA 2.277 57.624 55.300 0.079 0.000 1.103 1424 M CB -0.945 31.691 32.600 0.061 0.000 1.284 1424 M HN 0.174 nan 8.290 nan 0.000 0.420 1425 V N -0.977 118.963 119.914 0.043 0.000 2.233 1425 V HA -0.336 3.784 4.120 0.000 0.000 0.252 1425 V C 2.204 178.306 176.094 0.013 0.000 1.063 1425 V CA 2.428 64.745 62.300 0.029 0.000 1.032 1425 V CB -1.754 30.087 31.823 0.031 0.000 0.645 1425 V HN 0.581 nan 8.190 nan 0.000 0.446 1426 L N 0.523 121.749 121.223 0.005 0.000 2.051 1426 L HA -0.222 4.118 4.340 0.000 0.000 0.214 1426 L C 2.595 179.426 176.870 -0.066 0.000 1.076 1426 L CA 1.803 56.609 54.840 -0.055 0.000 0.758 1426 L CB -1.371 40.642 42.059 -0.076 0.000 0.890 1426 L HN 0.519 nan 8.230 nan 0.000 0.433 1427 S N -0.648 115.050 115.700 -0.005 0.000 1.978 1427 S HA -0.259 4.211 4.470 0.000 0.000 0.533 1427 S C -1.427 173.180 174.600 0.012 0.000 0.920 1427 S CA 1.698 59.920 58.200 0.037 0.000 3.354 1427 S CB -2.534 60.706 63.200 0.066 0.000 2.336 1427 S HN 0.307 nan 8.310 nan 0.000 0.579 1428 P HA 0.244 nan 4.420 nan 0.000 0.263 1428 P C 0.320 177.604 177.300 -0.027 0.000 1.195 1428 P CA 0.771 63.892 63.100 0.036 0.000 0.762 1428 P CB 0.177 31.894 31.700 0.029 0.000 0.799 1429 R N 0.952 121.442 120.500 -0.016 0.000 3.281 1429 R HA -0.168 4.172 4.340 0.000 0.000 0.271 1429 R C -1.305 174.907 176.300 -0.147 0.000 1.099 1429 R CA 0.062 56.125 56.100 -0.061 0.000 0.732 1429 R CB -1.708 28.510 30.300 -0.136 0.000 1.269 1429 R HN 0.352 nan 8.270 nan 0.000 0.412 1430 L N 0.072 121.199 121.223 -0.159 0.000 2.313 1430 L HA 0.563 4.903 4.340 0.000 0.000 0.268 1430 L C 0.345 177.122 176.870 -0.154 0.000 1.010 1430 L CA -0.037 54.688 54.840 -0.192 0.000 0.814 1430 L CB 1.813 43.667 42.059 -0.342 0.000 1.304 1430 L HN 0.146 nan 8.230 nan 0.000 0.441 1431 D N -0.416 119.922 120.400 -0.104 0.000 2.398 1431 D HA 0.122 4.762 4.640 0.000 0.000 0.210 1431 D C 0.790 177.120 176.300 0.050 0.000 1.094 1431 D CA 0.452 54.449 54.000 -0.004 0.000 0.839 1431 D CB 0.136 40.940 40.800 0.007 0.000 0.963 1431 D HN 0.598 nan 8.370 nan 0.000 0.506 1432 H N -0.411 118.639 119.070 -0.034 0.000 5.363 1432 H HA -0.259 4.297 4.556 0.000 0.000 0.065 1432 H C 1.550 176.898 175.328 0.034 0.000 0.517 1432 H CA 2.266 58.316 56.048 0.004 0.000 1.053 1432 H CB -1.442 28.244 29.762 -0.127 0.000 0.554 1432 H HN 0.199 nan 8.280 nan 0.000 0.717 1433 T N 1.109 115.742 114.554 0.130 0.000 2.778 1433 T HA -0.174 4.176 4.350 0.000 0.000 0.269 1433 T C 1.700 176.431 174.700 0.051 0.000 1.050 1433 T CA 1.663 63.812 62.100 0.081 0.000 1.137 1433 T CB -0.204 68.697 68.868 0.055 0.000 0.860 1433 T HN 0.348 nan 8.240 nan 0.000 0.468 1434 R N 0.172 120.674 120.500 0.003 0.000 2.893 1434 R HA 0.496 4.836 4.340 0.000 0.000 0.317 1434 R C 0.812 177.084 176.300 -0.047 0.000 1.239 1434 R CA 0.037 56.094 56.100 -0.072 0.000 1.128 1434 R CB -0.131 30.040 30.300 -0.215 0.000 1.377 1434 R HN 0.327 nan 8.270 nan 0.000 0.583 1435 A N -0.947 121.940 122.820 0.112 0.000 1.808 1435 A HA 0.107 4.427 4.320 0.000 0.000 0.190 1435 A C 1.410 179.332 177.584 0.563 0.000 1.822 1435 A CA -0.003 52.203 52.037 0.282 0.000 1.090 1435 A CB -0.077 19.136 19.000 0.355 0.000 1.004 1435 A HN 0.106 nan 8.150 nan 0.000 0.602 1436 V N 2.578 122.789 119.914 0.496 0.000 2.439 1436 V HA -0.329 3.791 4.120 0.000 0.000 0.253 1436 V C 2.163 178.486 176.094 0.380 0.000 1.074 1436 V CA 2.433 65.008 62.300 0.459 0.000 1.076 1436 V CB -1.154 30.791 31.823 0.204 0.000 0.664 1436 V HN 0.577 nan 8.190 nan 0.000 0.461 1437 N N -0.661 118.181 118.700 0.237 0.000 2.166 1437 N HA -0.191 4.549 4.740 0.000 0.000 0.186 1437 N C 1.676 177.242 175.510 0.094 0.000 1.019 1437 N CA 1.613 54.741 53.050 0.129 0.000 0.856 1437 N CB -0.514 38.019 38.487 0.077 0.000 0.993 1437 N HN 0.694 nan 8.380 nan 0.000 0.426 1438 Y N -0.082 120.180 120.300 -0.063 0.000 2.516 1438 Y HA 0.025 4.575 4.550 0.000 0.000 0.291 1438 Y C 1.330 177.046 175.900 -0.306 0.000 1.131 1438 Y CA 0.865 58.823 58.100 -0.237 0.000 1.281 1438 Y CB -0.102 38.126 38.460 -0.386 0.000 1.013 1438 Y HN -0.095 nan 8.280 nan 0.000 0.554 1439 F N -1.124 118.839 119.950 0.022 0.000 2.147 1439 F HA -0.102 4.425 4.527 0.000 0.000 0.291 1439 F C 2.558 178.302 175.800 -0.093 0.000 1.093 1439 F CA 1.340 59.316 58.000 -0.041 0.000 1.263 1439 F CB -0.996 38.006 39.000 0.004 0.000 1.036 1439 F HN -0.213 nan 8.300 nan 0.000 0.481 1440 S N 0.578 116.367 115.700 0.148 0.000 2.365 1440 S HA -0.251 4.219 4.470 0.000 0.000 0.225 1440 S C 1.600 176.186 174.600 -0.024 0.000 1.039 1440 S CA 1.832 60.062 58.200 0.050 0.000 1.033 1440 S CB -0.780 62.448 63.200 0.047 0.000 0.887 1440 S HN 0.441 nan 8.310 nan 0.000 0.447 1441 K N 1.089 121.446 120.400 -0.072 0.000 2.706 1441 K HA 0.205 4.525 4.320 0.000 0.000 0.217 1441 K C 0.500 176.983 176.600 -0.195 0.000 1.019 1441 K CA 0.244 56.459 56.287 -0.119 0.000 1.181 1441 K CB 0.048 32.474 32.500 -0.124 0.000 0.940 1441 K HN 0.183 nan 8.250 nan 0.000 0.491 1442 V N 0.522 120.327 119.914 -0.182 0.000 3.562 1442 V HA 0.022 4.142 4.120 0.000 0.000 0.270 1442 V C 0.879 176.897 176.094 -0.126 0.000 1.418 1442 V CA 0.054 62.218 62.300 -0.227 0.000 1.033 1442 V CB -0.099 31.540 31.823 -0.307 0.000 0.820 1442 V HN 0.646 nan 8.190 nan 0.000 0.441 1443 K N 0.511 120.868 120.400 -0.071 0.000 3.341 1443 K HA -0.314 4.006 4.320 0.000 0.000 0.305 1443 K C 0.698 177.280 176.600 -0.029 0.000 1.270 1443 K CA 1.644 57.904 56.287 -0.044 0.000 0.897 1443 K CB -0.930 31.538 32.500 -0.052 0.000 1.264 1443 K HN 0.572 nan 8.250 nan 0.000 0.468 1444 Q N -0.070 119.723 119.800 -0.011 0.000 2.140 1444 Q HA 0.238 4.578 4.340 0.000 0.000 0.227 1444 Q C 1.418 177.461 176.000 0.072 0.000 0.798 1444 Q CA 0.006 55.819 55.803 0.017 0.000 0.987 1444 Q CB 0.479 29.209 28.738 -0.012 0.000 1.161 1444 Q HN 0.444 nan 8.270 nan 0.000 0.480 1445 L N 2.317 123.594 121.223 0.090 0.000 2.127 1445 L HA -0.067 4.273 4.340 0.000 0.000 0.211 1445 L C -0.820 176.041 176.870 -0.015 0.000 1.089 1445 L CA 1.143 56.046 54.840 0.104 0.000 0.757 1445 L CB -0.454 41.655 42.059 0.083 0.000 0.899 1445 L HN 0.133 nan 8.230 nan 0.000 0.434 1446 P HA -0.245 nan 4.420 nan 0.000 0.221 1446 P C 1.922 179.203 177.300 -0.030 0.000 1.145 1446 P CA 1.323 64.395 63.100 -0.046 0.000 0.795 1446 P CB -0.148 31.527 31.700 -0.041 0.000 0.775 1447 L N 0.771 121.992 121.223 -0.004 0.000 2.042 1447 L HA -0.121 4.219 4.340 0.000 0.000 0.210 1447 L C 2.348 179.217 176.870 -0.002 0.000 1.076 1447 L CA 1.919 56.766 54.840 0.010 0.000 0.749 1447 L CB -0.627 41.457 42.059 0.040 0.000 0.893 1447 L HN -0.066 nan 8.230 nan 0.000 0.432 1448 V N -2.349 117.532 119.914 -0.056 0.000 3.383 1448 V HA -0.205 3.915 4.120 0.000 0.000 0.272 1448 V C 2.252 178.384 176.094 0.063 0.000 1.181 1448 V CA 1.408 63.693 62.300 -0.026 0.000 1.171 1448 V CB -0.931 30.719 31.823 -0.287 0.000 0.800 1448 V HN 0.464 nan 8.190 nan 0.000 0.515 1449 K N 2.119 122.512 120.400 -0.012 0.000 2.015 1449 K HA -0.170 4.150 4.320 0.000 0.000 0.220 1449 K C 0.039 176.631 176.600 -0.015 0.000 1.055 1449 K CA 2.508 58.769 56.287 -0.045 0.000 0.951 1449 K CB -1.315 31.157 32.500 -0.046 0.000 0.725 1449 K HN 0.578 nan 8.250 nan 0.000 0.449 1450 P HA -0.161 nan 4.420 nan 0.000 0.222 1450 P C 1.285 178.602 177.300 0.029 0.000 1.153 1450 P CA 1.052 64.166 63.100 0.024 0.000 0.798 1450 P CB -0.273 31.449 31.700 0.038 0.000 0.796 1451 Y N 1.489 121.752 120.300 -0.061 0.000 2.403 1451 Y HA -0.085 4.465 4.550 0.000 0.000 0.291 1451 Y C 1.761 177.619 175.900 -0.071 0.000 1.143 1451 Y CA 1.170 59.229 58.100 -0.067 0.000 1.257 1451 Y CB -1.075 37.314 38.460 -0.119 0.000 0.984 1451 Y HN -0.187 nan 8.280 nan 0.000 0.550 1452 L N -0.462 120.584 121.223 -0.294 0.000 2.607 1452 L HA 0.111 4.451 4.340 0.000 0.000 0.228 1452 L C 2.219 178.963 176.870 -0.210 0.000 1.123 1452 L CA -0.194 54.427 54.840 -0.364 0.000 0.890 1452 L CB -0.268 41.657 42.059 -0.224 0.000 1.103 1452 L HN -0.013 nan 8.230 nan 0.000 0.468 1453 R N 0.394 120.819 120.500 -0.126 0.000 2.070 1453 R HA -0.013 4.327 4.340 0.000 0.000 0.227 1453 R C 2.270 178.529 176.300 -0.068 0.000 1.147 1453 R CA 1.544 57.607 56.100 -0.062 0.000 0.924 1453 R CB -0.895 29.393 30.300 -0.020 0.000 0.827 1453 R HN 0.184 nan 8.270 nan 0.000 0.431 1454 S N 0.638 116.301 115.700 -0.062 0.000 2.442 1454 S HA -0.019 4.451 4.470 0.000 0.000 0.236 1454 S C 1.284 175.828 174.600 -0.093 0.000 1.007 1454 S CA 0.458 58.627 58.200 -0.051 0.000 0.965 1454 S CB -0.020 63.166 63.200 -0.022 0.000 0.773 1454 S HN -0.012 nan 8.310 nan 0.000 0.504 1455 V N 0.311 120.123 119.914 -0.170 0.000 3.553 1455 V HA 0.340 4.460 4.120 0.000 0.000 0.287 1455 V C 0.696 176.613 176.094 -0.295 0.000 1.111 1455 V CA -0.864 61.291 62.300 -0.241 0.000 0.950 1455 V CB 0.490 32.066 31.823 -0.412 0.000 1.243 1455 V HN 0.367 nan 8.190 nan 0.000 0.443 1456 Q N -0.122 119.451 119.800 -0.378 0.000 2.478 1456 Q HA -0.229 4.111 4.340 0.000 0.000 0.286 1456 Q C 0.251 175.763 176.000 -0.815 0.000 1.299 1456 Q CA 1.486 56.983 55.803 -0.509 0.000 0.826 1456 Q CB -1.683 26.729 28.738 -0.543 0.000 1.199 1456 Q HN 0.882 nan 8.270 nan 0.000 0.451 1457 N N -2.035 116.378 118.700 -0.479 0.000 2.297 1457 N HA 0.059 4.799 4.740 0.000 0.000 0.208 1457 N C 0.740 176.117 175.510 -0.221 0.000 1.176 1457 N CA 0.072 52.928 53.050 -0.323 0.000 0.882 1457 N CB 0.206 38.637 38.487 -0.094 0.000 1.134 1457 N HN 0.278 nan 8.380 nan 0.000 0.489 1458 H N 1.276 120.158 119.070 -0.313 0.000 2.561 1458 H HA 0.011 4.567 4.556 0.000 0.000 0.278 1458 H C 0.737 175.957 175.328 -0.180 0.000 1.014 1458 H CA 0.909 56.809 56.048 -0.246 0.000 1.211 1458 H CB -0.012 29.513 29.762 -0.395 0.000 1.365 1458 H HN 0.199 nan 8.280 nan 0.000 0.594 1459 N N -0.316 118.302 118.700 -0.136 0.000 2.809 1459 N HA -0.289 4.451 4.740 0.000 0.000 0.244 1459 N C -0.646 174.860 175.510 -0.007 0.000 1.018 1459 N CA 0.820 53.847 53.050 -0.039 0.000 0.917 1459 N CB -1.316 37.213 38.487 0.070 0.000 1.130 1459 N HN 0.337 nan 8.380 nan 0.000 0.591 1460 N N 0.519 119.205 118.700 -0.023 0.000 2.329 1460 N HA -0.026 4.714 4.740 0.000 0.000 0.237 1460 N C 1.014 176.527 175.510 0.006 0.000 1.258 1460 N CA 0.850 53.900 53.050 -0.000 0.000 0.866 1460 N CB 0.442 38.895 38.487 -0.057 0.000 1.102 1460 N HN 0.427 nan 8.380 nan 0.000 0.440 1461 K N 0.633 121.057 120.400 0.039 0.000 2.021 1461 K HA -0.096 4.224 4.320 0.000 0.000 0.205 1461 K C 2.083 178.713 176.600 0.050 0.000 1.047 1461 K CA 1.390 57.714 56.287 0.062 0.000 0.943 1461 K CB -0.244 32.296 32.500 0.067 0.000 0.725 1461 K HN 0.631 nan 8.250 nan 0.000 0.439 1462 S N 1.147 116.873 115.700 0.043 0.000 2.407 1462 S HA -0.166 4.304 4.470 0.000 0.000 0.235 1462 S C 2.128 176.739 174.600 0.018 0.000 1.036 1462 S CA 1.462 59.689 58.200 0.044 0.000 1.013 1462 S CB -0.885 62.355 63.200 0.068 0.000 0.820 1462 S HN 0.035 nan 8.310 nan 0.000 0.476 1463 V N 3.638 123.544 119.914 -0.014 0.000 2.229 1463 V HA -0.209 3.911 4.120 0.000 0.000 0.243 1463 V C 2.659 178.727 176.094 -0.044 0.000 1.042 1463 V CA 2.061 64.324 62.300 -0.062 0.000 1.000 1463 V CB -1.070 30.676 31.823 -0.129 0.000 0.637 1463 V HN 0.537 nan 8.190 nan 0.000 0.446 1464 N N 0.195 118.881 118.700 -0.022 0.000 2.013 1464 N HA -0.227 4.513 4.740 0.000 0.000 0.195 1464 N C 1.908 177.437 175.510 0.032 0.000 1.051 1464 N CA 1.597 54.648 53.050 0.001 0.000 0.851 1464 N CB -0.703 37.777 38.487 -0.011 0.000 1.044 1464 N HN 0.419 nan 8.380 nan 0.000 0.422 1465 E N 1.157 121.399 120.200 0.070 0.000 2.136 1465 E HA -0.151 4.199 4.350 0.000 0.000 0.202 1465 E C 1.700 178.330 176.600 0.051 0.000 1.019 1465 E CA 1.261 57.712 56.400 0.084 0.000 0.819 1465 E CB -0.066 29.679 29.700 0.075 0.000 0.739 1465 E HN 0.282 nan 8.360 nan 0.000 0.458 1466 S N -0.091 115.622 115.700 0.020 0.000 2.421 1466 S HA -0.015 4.455 4.470 0.000 0.000 0.224 1466 S C 1.827 176.392 174.600 -0.059 0.000 1.035 1466 S CA 0.296 58.492 58.200 -0.007 0.000 0.953 1466 S CB -0.111 63.084 63.200 -0.008 0.000 0.810 1466 S HN 0.162 nan 8.310 nan 0.000 0.497 1467 L N 3.327 124.506 121.223 -0.075 0.000 2.021 1467 L HA -0.208 4.132 4.340 0.000 0.000 0.215 1467 L C 1.764 178.549 176.870 -0.141 0.000 1.074 1467 L CA 1.711 56.450 54.840 -0.168 0.000 0.760 1467 L CB -0.715 41.322 42.059 -0.038 0.000 0.889 1467 L HN 0.239 nan 8.230 nan 0.000 0.433 1468 N N -0.477 118.254 118.700 0.051 0.000 2.080 1468 N HA -0.237 4.503 4.740 0.000 0.000 0.189 1468 N C 1.689 177.242 175.510 0.072 0.000 1.036 1468 N CA 1.720 54.849 53.050 0.133 0.000 0.846 1468 N CB -0.911 37.608 38.487 0.054 0.000 1.015 1468 N HN 0.564 nan 8.380 nan 0.000 0.423 1469 N N 0.986 119.706 118.700 0.033 0.000 2.184 1469 N HA -0.153 4.587 4.740 0.000 0.000 0.190 1469 N C 1.639 177.163 175.510 0.022 0.000 1.011 1469 N CA 0.654 53.728 53.050 0.041 0.000 0.867 1469 N CB 0.033 38.534 38.487 0.024 0.000 0.993 1469 N HN 0.164 nan 8.380 nan 0.000 0.433 1470 L N -0.590 120.580 121.223 -0.088 0.000 1.993 1470 L HA -0.081 4.259 4.340 0.000 0.000 0.206 1470 L C 1.825 178.643 176.870 -0.088 0.000 1.074 1470 L CA 0.944 55.675 54.840 -0.181 0.000 0.746 1470 L CB -0.858 40.938 42.059 -0.437 0.000 0.896 1470 L HN 0.099 nan 8.230 nan 0.000 0.435 1471 F N 0.330 120.318 119.950 0.063 0.000 2.346 1471 F HA -0.188 4.339 4.527 0.000 0.000 0.301 1471 F C 2.237 178.223 175.800 0.310 0.000 1.070 1471 F CA 1.009 59.076 58.000 0.112 0.000 1.407 1471 F CB -0.850 38.160 39.000 0.017 0.000 1.072 1471 F HN 0.035 nan 8.300 nan 0.000 0.543 1472 I N -1.040 119.792 120.570 0.436 0.000 2.270 1472 I HA -0.197 3.973 4.170 0.000 0.000 0.239 1472 I C 2.202 178.622 176.117 0.505 0.000 1.080 1472 I CA 1.427 63.130 61.300 0.671 0.000 1.383 1472 I CB -0.887 37.338 38.000 0.375 0.000 1.097 1472 I HN -0.063 nan 8.210 nan 0.000 0.420 1473 T N 0.630 115.344 114.554 0.268 0.000 2.995 1473 T HA -0.148 4.202 4.350 0.000 0.000 0.269 1473 T C 1.575 176.333 174.700 0.097 0.000 1.091 1473 T CA 1.356 63.543 62.100 0.144 0.000 1.128 1473 T CB -0.329 68.590 68.868 0.085 0.000 0.891 1473 T HN 0.549 nan 8.240 nan 0.000 0.492 1474 E N 1.556 121.835 120.200 0.130 0.000 2.371 1474 E HA -0.056 4.294 4.350 0.000 0.000 0.194 1474 E C 0.490 177.157 176.600 0.113 0.000 1.012 1474 E CA 0.722 57.180 56.400 0.096 0.000 0.860 1474 E CB -0.263 29.486 29.700 0.082 0.000 0.811 1474 E HN 0.503 nan 8.360 nan 0.000 0.502 1475 E N 0.361 120.664 120.200 0.172 0.000 3.687 1475 E HA -0.166 4.184 4.350 0.000 0.000 0.319 1475 E C -0.648 176.110 176.600 0.262 0.000 0.821 1475 E CA 0.720 57.164 56.400 0.074 0.000 1.195 1475 E CB -1.595 28.097 29.700 -0.013 0.000 1.605 1475 E HN 0.434 nan 8.360 nan 0.000 0.419 1476 D N -0.029 120.609 120.400 0.396 0.000 2.312 1476 D HA 0.113 4.753 4.640 0.000 0.000 0.252 1476 D C 0.487 176.978 176.300 0.319 0.000 1.150 1476 D CA 0.138 54.273 54.000 0.225 0.000 0.870 1476 D CB 0.512 41.527 40.800 0.357 0.000 1.153 1476 D HN 0.251 nan 8.370 nan 0.000 0.457 1477 Y N 1.763 122.203 120.300 0.233 0.000 2.638 1477 Y HA 0.214 4.764 4.550 0.000 0.000 0.275 1477 Y C 2.262 178.127 175.900 -0.060 0.000 1.122 1477 Y CA -0.223 57.964 58.100 0.144 0.000 1.266 1477 Y CB -0.401 38.228 38.460 0.282 0.000 1.317 1477 Y HN 0.266 nan 8.280 nan 0.000 0.501 1478 Q N 1.523 121.152 119.800 -0.285 0.000 2.002 1478 Q HA -0.178 4.162 4.340 0.000 0.000 0.204 1478 Q C 2.510 178.367 176.000 -0.239 0.000 0.988 1478 Q CA 2.121 57.840 55.803 -0.141 0.000 0.843 1478 Q CB -0.369 28.241 28.738 -0.215 0.000 0.908 1478 Q HN 0.633 nan 8.270 nan 0.000 0.420 1479 A N 0.894 123.488 122.820 -0.377 0.000 1.835 1479 A HA -0.209 4.111 4.320 0.000 0.000 0.215 1479 A C 2.069 179.146 177.584 -0.845 0.000 1.199 1479 A CA 1.454 53.157 52.037 -0.556 0.000 0.615 1479 A CB -1.070 17.564 19.000 -0.609 0.000 0.838 1479 A HN 0.380 nan 8.150 nan 0.000 0.444 1480 L N -0.156 120.338 121.223 -1.215 0.000 2.054 1480 L HA -0.271 4.069 4.340 0.000 0.000 0.220 1480 L C 2.427 179.027 176.870 -0.449 0.000 1.081 1480 L CA 2.819 57.108 54.840 -0.917 0.000 0.780 1480 L CB -0.767 41.019 42.059 -0.455 0.000 0.893 1480 L HN 0.487 nan 8.230 nan 0.000 0.438 1481 R N -1.276 119.040 120.500 -0.306 0.000 2.070 1481 R HA -0.119 4.221 4.340 0.000 0.000 0.233 1481 R C 2.132 178.315 176.300 -0.195 0.000 1.137 1481 R CA 2.220 58.202 56.100 -0.195 0.000 0.945 1481 R CB -0.749 29.480 30.300 -0.119 0.000 0.845 1481 R HN 0.464 nan 8.270 nan 0.000 0.430 1482 T N -0.725 113.705 114.554 -0.207 0.000 2.951 1482 T HA -0.071 4.279 4.350 0.000 0.000 0.268 1482 T C 1.651 176.264 174.700 -0.144 0.000 1.073 1482 T CA 1.237 63.240 62.100 -0.162 0.000 1.134 1482 T CB -0.201 68.585 68.868 -0.137 0.000 0.884 1482 T HN 0.258 nan 8.240 nan 0.000 0.479 1483 S N 1.305 116.869 115.700 -0.227 0.000 2.537 1483 S HA 0.006 4.476 4.470 0.000 0.000 0.240 1483 S C 1.500 176.077 174.600 -0.039 0.000 0.981 1483 S CA 0.651 58.773 58.200 -0.129 0.000 0.948 1483 S CB -0.506 62.504 63.200 -0.317 0.000 0.759 1483 S HN 0.733 nan 8.310 nan 0.000 0.531 1484 I N -3.898 116.596 120.570 -0.128 0.000 4.390 1484 I HA 0.434 4.604 4.170 0.000 0.000 0.334 1484 I C -0.006 176.025 176.117 -0.143 0.000 1.379 1484 I CA -0.224 60.979 61.300 -0.162 0.000 1.197 1484 I CB 0.208 38.030 38.000 -0.298 0.000 1.396 1484 I HN -0.163 nan 8.210 nan 0.000 0.511 1485 D N 2.529 122.841 120.400 -0.148 0.000 2.378 1485 D HA 0.172 4.812 4.640 0.000 0.000 0.227 1485 D C 1.378 177.558 176.300 -0.201 0.000 1.012 1485 D CA 1.200 55.111 54.000 -0.147 0.000 0.905 1485 D CB 1.022 41.736 40.800 -0.143 0.000 0.895 1485 D HN 0.685 nan 8.370 nan 0.000 0.532 1486 A N -0.683 121.953 122.820 -0.307 0.000 1.713 1486 A HA 0.083 4.403 4.320 0.000 0.000 0.164 1486 A C -0.476 176.876 177.584 -0.386 0.000 1.618 1486 A CA -0.417 51.347 52.037 -0.455 0.000 1.267 1486 A CB -0.244 18.279 19.000 -0.795 0.000 1.054 1486 A HN 0.069 nan 8.150 nan 0.000 0.713 1487 Y N 3.083 123.348 120.300 -0.059 0.000 2.697 1487 Y HA 0.285 4.835 4.550 0.000 0.000 0.349 1487 Y C 0.438 176.305 175.900 -0.054 0.000 1.120 1487 Y CA 0.101 58.172 58.100 -0.049 0.000 1.468 1487 Y CB -0.343 38.081 38.460 -0.061 0.000 1.182 1487 Y HN 0.587 nan 8.280 nan 0.000 0.525 1488 D N -0.148 120.322 120.400 0.118 0.000 2.460 1488 D HA -0.026 4.614 4.640 0.000 0.000 0.229 1488 D C -0.068 176.458 176.300 0.377 0.000 1.170 1488 D CA -0.343 53.774 54.000 0.196 0.000 0.827 1488 D CB -0.340 40.568 40.800 0.180 0.000 0.973 1488 D HN 0.533 nan 8.370 nan 0.000 0.496 1489 N N 1.007 119.887 118.700 0.300 0.000 2.645 1489 N HA 0.319 5.059 4.740 0.000 0.000 0.233 1489 N C -1.238 174.515 175.510 0.404 0.000 1.058 1489 N CA -0.634 52.581 53.050 0.275 0.000 0.942 1489 N CB 0.187 38.767 38.487 0.155 0.000 1.210 1489 N HN 0.204 nan 8.380 nan 0.000 0.512 1490 F N 0.484 120.443 119.950 0.015 0.000 3.194 1490 F HA 0.281 4.808 4.527 0.000 0.000 0.327 1490 F C -1.714 174.085 175.800 -0.002 0.000 1.141 1490 F CA -1.572 56.432 58.000 0.006 0.000 0.862 1490 F CB 0.380 39.382 39.000 0.004 0.000 1.447 1490 F HN -0.017 nan 8.300 nan 0.000 0.479 1491 D N 1.605 121.860 120.400 -0.241 0.000 2.517 1491 D HA 0.203 4.843 4.640 0.000 0.000 0.220 1491 D C -0.700 175.242 176.300 -0.597 0.000 1.158 1491 D CA -0.099 53.696 54.000 -0.343 0.000 0.992 1491 D CB -0.638 40.099 40.800 -0.105 0.000 1.058 1491 D HN 0.491 nan 8.370 nan 0.000 0.516 1492 N N 5.443 123.560 118.700 -0.972 0.000 2.670 1492 N HA 0.047 4.787 4.740 0.000 0.000 0.296 1492 N C 0.234 175.590 175.510 -0.256 0.000 1.216 1492 N CA 0.202 52.797 53.050 -0.758 0.000 1.123 1492 N CB 0.226 38.330 38.487 -0.639 0.000 1.459 1492 N HN 0.472 nan 8.380 nan 0.000 0.509 1493 I N -1.624 118.862 120.570 -0.139 0.000 1.266 1493 I HA -0.089 4.081 4.170 0.000 0.000 0.343 1493 I C 1.665 177.842 176.117 0.101 0.000 0.395 1493 I CA -0.110 61.240 61.300 0.084 0.000 3.296 1493 I CB -1.130 36.897 38.000 0.045 0.000 1.588 1493 I HN 0.074 nan 8.210 nan 0.000 0.544 1494 S N 1.977 117.720 115.700 0.072 0.000 2.409 1494 S HA -0.241 4.229 4.470 0.000 0.000 0.237 1494 S C 1.820 176.436 174.600 0.026 0.000 1.060 1494 S CA 2.331 60.573 58.200 0.070 0.000 1.052 1494 S CB -0.610 62.614 63.200 0.041 0.000 0.871 1494 S HN 0.453 nan 8.310 nan 0.000 0.465 1495 L N 1.829 123.043 121.223 -0.016 0.000 2.021 1495 L HA -0.187 4.153 4.340 0.000 0.000 0.215 1495 L C 2.249 179.029 176.870 -0.150 0.000 1.074 1495 L CA 2.290 57.109 54.840 -0.034 0.000 0.760 1495 L CB -1.019 41.069 42.059 0.048 0.000 0.889 1495 L HN 0.295 nan 8.230 nan 0.000 0.433 1496 A N -1.856 120.734 122.820 -0.383 0.000 2.206 1496 A HA -0.101 4.219 4.320 0.000 0.000 0.211 1496 A C 2.043 179.482 177.584 -0.242 0.000 1.158 1496 A CA 0.959 52.567 52.037 -0.716 0.000 0.761 1496 A CB -0.433 17.260 19.000 -2.177 0.000 0.801 1496 A HN 0.709 nan 8.150 nan 0.000 0.473 1497 Q N -0.695 119.137 119.800 0.053 0.000 2.123 1497 Q HA -0.110 4.230 4.340 0.000 0.000 0.199 1497 Q C 2.240 178.297 176.000 0.095 0.000 0.966 1497 Q CA 1.417 57.339 55.803 0.198 0.000 0.845 1497 Q CB -0.136 28.707 28.738 0.174 0.000 0.907 1497 Q HN 0.727 nan 8.270 nan 0.000 0.439 1498 R N 0.821 121.345 120.500 0.040 0.000 2.193 1498 R HA -0.029 4.311 4.340 0.000 0.000 0.213 1498 R C 1.911 178.184 176.300 -0.045 0.000 1.055 1498 R CA 0.461 56.591 56.100 0.049 0.000 0.995 1498 R CB 0.057 30.399 30.300 0.069 0.000 0.893 1498 R HN 0.202 nan 8.270 nan 0.000 0.459 1499 L N 0.203 121.335 121.223 -0.151 0.000 2.072 1499 L HA -0.043 4.297 4.340 0.000 0.000 0.205 1499 L C 2.541 179.307 176.870 -0.173 0.000 1.079 1499 L CA 1.414 56.047 54.840 -0.345 0.000 0.752 1499 L CB -0.701 41.240 42.059 -0.196 0.000 0.906 1499 L HN 0.310 nan 8.230 nan 0.000 0.436 1500 E N 1.417 121.620 120.200 0.005 0.000 2.160 1500 E HA -0.228 4.122 4.350 0.000 0.000 0.195 1500 E C 1.663 178.323 176.600 0.101 0.000 0.991 1500 E CA 1.139 57.591 56.400 0.087 0.000 0.810 1500 E CB 0.114 29.906 29.700 0.154 0.000 0.742 1500 E HN 0.417 nan 8.360 nan 0.000 0.466 1501 K N 0.025 120.494 120.400 0.116 0.000 2.616 1501 K HA -0.015 4.305 4.320 0.000 0.000 0.192 1501 K C 0.405 177.151 176.600 0.243 0.000 1.031 1501 K CA 0.164 56.544 56.287 0.154 0.000 1.004 1501 K CB -0.139 32.448 32.500 0.145 0.000 0.810 1501 K HN 0.337 nan 8.250 nan 0.000 0.497 1502 H N 0.020 119.125 119.070 0.057 0.000 2.490 1502 H HA 0.025 4.581 4.556 0.000 0.000 0.354 1502 H C 1.148 176.485 175.328 0.014 0.000 1.365 1502 H CA -0.278 55.790 56.048 0.033 0.000 1.413 1502 H CB 1.235 31.019 29.762 0.037 0.000 1.631 1502 H HN 0.200 nan 8.280 nan 0.000 0.607 1503 E N 0.108 120.358 120.200 0.083 0.000 2.332 1503 E HA 0.097 4.447 4.350 0.000 0.000 0.202 1503 E C 0.173 176.786 176.600 0.022 0.000 0.877 1503 E CA -0.077 56.340 56.400 0.028 0.000 0.979 1503 E CB 0.575 30.263 29.700 -0.020 0.000 0.969 1503 E HN 0.233 nan 8.360 nan 0.000 0.495 1504 L N 4.292 125.515 121.223 0.000 0.000 2.462 1504 L HA 0.104 4.444 4.340 0.000 0.000 0.283 1504 L C 1.246 178.134 176.870 0.030 0.000 1.166 1504 L CA -0.163 54.664 54.840 -0.020 0.000 0.964 1504 L CB 0.432 42.434 42.059 -0.095 0.000 1.294 1504 L HN 0.427 nan 8.230 nan 0.000 0.449 1505 I N 0.854 121.443 120.570 0.032 0.000 2.576 1505 I HA -0.308 3.862 4.170 0.000 0.000 0.263 1505 I C 1.600 177.764 176.117 0.078 0.000 1.183 1505 I CA 1.226 62.557 61.300 0.053 0.000 1.432 1505 I CB -0.945 37.069 38.000 0.025 0.000 1.100 1505 I HN 0.619 nan 8.210 nan 0.000 0.452 1506 E N 1.339 121.565 120.200 0.043 0.000 2.086 1506 E HA -0.247 4.103 4.350 0.000 0.000 0.205 1506 E C 2.072 178.905 176.600 0.387 0.000 1.027 1506 E CA 2.199 58.659 56.400 0.100 0.000 0.830 1506 E CB -0.375 29.324 29.700 -0.002 0.000 0.751 1506 E HN 0.685 nan 8.360 nan 0.000 0.456 1507 F N -0.541 119.444 119.950 0.057 0.000 2.698 1507 F HA 0.133 4.660 4.527 0.000 0.000 0.295 1507 F C 2.352 178.129 175.800 -0.038 0.000 1.124 1507 F CA -0.320 57.679 58.000 -0.002 0.000 1.426 1507 F CB 0.203 39.161 39.000 -0.070 0.000 1.120 1507 F HN -0.170 nan 8.300 nan 0.000 0.583 1508 R N 0.199 120.812 120.500 0.187 0.000 2.276 1508 R HA -0.016 4.324 4.340 0.000 0.000 0.203 1508 R C 2.021 178.380 176.300 0.097 0.000 1.017 1508 R CA 0.337 56.504 56.100 0.111 0.000 1.010 1508 R CB -0.011 30.348 30.300 0.098 0.000 0.900 1508 R HN 0.196 nan 8.270 nan 0.000 0.469 1509 R N -0.032 120.536 120.500 0.113 0.000 2.175 1509 R HA 0.161 4.501 4.340 0.000 0.000 0.202 1509 R C 1.706 178.073 176.300 0.112 0.000 1.018 1509 R CA 0.527 56.683 56.100 0.094 0.000 1.029 1509 R CB 0.345 30.688 30.300 0.071 0.000 0.959 1509 R HN 0.116 nan 8.270 nan 0.000 0.480 1510 I N -0.014 120.626 120.570 0.117 0.000 2.867 1510 I HA 0.035 4.205 4.170 0.000 0.000 0.265 1510 I C 2.228 178.376 176.117 0.052 0.000 1.162 1510 I CA 0.564 61.934 61.300 0.116 0.000 1.471 1510 I CB -0.091 37.932 38.000 0.037 0.000 1.123 1510 I HN 0.141 nan 8.210 nan 0.000 0.440 1511 A N 1.255 124.063 122.820 -0.020 0.000 1.972 1511 A HA -0.144 4.176 4.320 0.000 0.000 0.219 1511 A C 2.534 180.093 177.584 -0.041 0.000 1.169 1511 A CA 1.828 53.767 52.037 -0.163 0.000 0.635 1511 A CB -0.577 18.361 19.000 -0.104 0.000 0.810 1511 A HN 0.415 nan 8.150 nan 0.000 0.446 1512 A N -1.064 121.803 122.820 0.078 0.000 1.877 1512 A HA -0.057 4.263 4.320 0.000 0.000 0.216 1512 A C 2.147 179.783 177.584 0.087 0.000 1.186 1512 A CA 1.684 53.785 52.037 0.106 0.000 0.620 1512 A CB -0.834 18.216 19.000 0.082 0.000 0.822 1512 A HN 0.785 nan 8.150 nan 0.000 0.443 1513 Y N 0.181 120.484 120.300 0.004 0.000 2.092 1513 Y HA -0.149 4.401 4.550 0.000 0.000 0.282 1513 Y C 2.032 177.933 175.900 0.001 0.000 1.126 1513 Y CA 1.684 59.784 58.100 0.001 0.000 1.111 1513 Y CB -0.810 37.643 38.460 -0.011 0.000 0.987 1513 Y HN 0.222 nan 8.280 nan 0.000 0.489 1514 L N -0.813 120.148 121.223 -0.437 0.000 2.064 1514 L HA -0.321 4.019 4.340 0.000 0.000 0.216 1514 L C 2.178 178.833 176.870 -0.359 0.000 1.077 1514 L CA 1.915 56.459 54.840 -0.493 0.000 0.766 1514 L CB -0.574 41.281 42.059 -0.340 0.000 0.890 1514 L HN 0.285 nan 8.230 nan 0.000 0.435 1515 F N 0.433 120.268 119.950 -0.193 0.000 2.206 1515 F HA -0.180 4.347 4.527 0.000 0.000 0.298 1515 F C 2.551 178.252 175.800 -0.163 0.000 1.090 1515 F CA 1.744 59.656 58.000 -0.146 0.000 1.323 1515 F CB -0.599 38.338 39.000 -0.105 0.000 1.028 1515 F HN 0.221 nan 8.300 nan 0.000 0.492 1516 K N 0.467 120.854 120.400 -0.021 0.000 2.031 1516 K HA 0.076 4.396 4.320 0.000 0.000 0.205 1516 K C 1.348 177.878 176.600 -0.117 0.000 1.049 1516 K CA 0.903 57.155 56.287 -0.058 0.000 0.939 1516 K CB -1.168 31.297 32.500 -0.058 0.000 0.717 1516 K HN 0.131 nan 8.250 nan 0.000 0.438 1517 G N 2.957 111.543 108.800 -0.357 0.000 2.491 1517 G HA2 -0.309 3.651 3.960 0.000 0.000 0.246 1517 G HA3 -0.309 3.651 3.960 0.000 0.000 0.246 1517 G C -0.007 174.861 174.900 -0.053 0.000 0.174 1517 G CA 0.910 45.819 45.100 -0.318 0.000 1.114 1517 G HN 0.784 nan 8.290 nan 0.000 0.515 1518 N N 0.038 118.768 118.700 0.050 0.000 2.644 1518 N HA -0.235 4.505 4.740 0.000 0.000 0.248 1518 N C -0.051 175.480 175.510 0.034 0.000 1.150 1518 N CA 1.708 54.794 53.050 0.060 0.000 0.727 1518 N CB -0.575 37.941 38.487 0.048 0.000 1.091 1518 N HN 0.689 nan 8.380 nan 0.000 0.556 1519 N N -0.333 118.384 118.700 0.028 0.000 2.690 1519 N HA 0.222 4.962 4.740 0.000 0.000 0.255 1519 N C 0.036 175.583 175.510 0.062 0.000 1.195 1519 N CA -0.428 52.649 53.050 0.045 0.000 0.790 1519 N CB 0.773 39.283 38.487 0.039 0.000 1.216 1519 N HN 0.164 nan 8.380 nan 0.000 0.528 1520 R N 0.099 120.638 120.500 0.065 0.000 2.241 1520 R HA -0.056 4.284 4.340 0.000 0.000 0.224 1520 R C 1.689 177.998 176.300 0.016 0.000 1.101 1520 R CA 0.796 56.917 56.100 0.035 0.000 0.995 1520 R CB -0.179 30.150 30.300 0.049 0.000 0.870 1520 R HN 0.591 nan 8.270 nan 0.000 0.463 1521 W N 1.981 123.227 121.300 -0.090 0.000 2.338 1521 W HA -0.196 4.464 4.660 0.000 0.000 0.304 1521 W C 1.187 177.624 176.519 -0.137 0.000 1.212 1521 W CA 1.440 58.724 57.345 -0.102 0.000 1.264 1521 W CB 0.090 29.502 29.460 -0.081 0.000 1.142 1521 W HN -0.137 nan 8.180 nan 0.000 0.512 1522 K N 0.337 120.812 120.400 0.125 0.000 1.977 1522 K HA -0.310 4.010 4.320 0.000 0.000 0.218 1522 K C 1.910 178.277 176.600 -0.388 0.000 1.051 1522 K CA 2.192 58.390 56.287 -0.149 0.000 0.953 1522 K CB -1.600 30.927 32.500 0.045 0.000 0.727 1522 K HN 0.410 nan 8.250 nan 0.000 0.445 1523 Q N 1.052 120.672 119.800 -0.299 0.000 2.156 1523 Q HA -0.230 4.110 4.340 0.000 0.000 0.211 1523 Q C 2.014 177.619 176.000 -0.658 0.000 0.995 1523 Q CA 2.840 58.393 55.803 -0.416 0.000 0.877 1523 Q CB -0.043 28.413 28.738 -0.469 0.000 0.920 1523 Q HN 0.455 nan 8.270 nan 0.000 0.416 1524 S N -0.808 114.441 115.700 -0.751 0.000 2.348 1524 S HA -0.064 4.406 4.470 0.000 0.000 0.219 1524 S C 1.813 176.096 174.600 -0.529 0.000 1.033 1524 S CA 0.804 58.629 58.200 -0.626 0.000 0.974 1524 S CB -0.679 62.294 63.200 -0.378 0.000 0.868 1524 S HN 0.294 nan 8.310 nan 0.000 0.459 1525 V N 1.519 121.008 119.914 -0.709 0.000 3.440 1525 V HA 0.099 4.219 4.120 0.000 0.000 0.274 1525 V C -0.074 175.676 176.094 -0.574 0.000 1.207 1525 V CA 1.232 63.078 62.300 -0.757 0.000 1.183 1525 V CB -1.037 29.949 31.823 -1.395 0.000 0.837 1525 V HN 0.479 nan 8.190 nan 0.000 0.532 1526 E N -0.759 119.152 120.200 -0.481 0.000 3.386 1526 E HA 0.375 4.725 4.350 0.000 0.000 0.236 1526 E C -0.246 176.179 176.600 -0.291 0.000 1.227 1526 E CA -0.118 56.069 56.400 -0.354 0.000 0.970 1526 E CB 1.191 30.693 29.700 -0.330 0.000 1.343 1526 E HN 0.240 nan 8.360 nan 0.000 0.397 1527 L N -0.300 120.742 121.223 -0.302 0.000 3.031 1527 L HA 0.464 4.804 4.340 0.000 0.000 0.167 1527 L C 0.635 177.362 176.870 -0.240 0.000 1.203 1527 L CA 0.257 54.932 54.840 -0.274 0.000 0.857 1527 L CB -0.384 41.453 42.059 -0.370 0.000 1.368 1527 L HN 0.565 nan 8.230 nan 0.000 0.534 1528 C N -0.610 118.507 119.300 -0.305 0.000 0.168 1528 C HA -0.244 4.216 4.460 0.000 0.000 0.017 1528 C C 2.276 177.173 174.990 -0.155 0.000 0.171 1528 C CA -0.071 58.818 59.018 -0.216 0.000 0.499 1528 C CB -1.246 26.400 27.740 -0.157 0.000 3.212 1528 C HN 0.725 nan 8.230 nan 0.000 1.118 1529 K N 1.139 121.496 120.400 -0.072 0.000 2.001 1529 K HA -0.212 4.108 4.320 0.000 0.000 0.223 1529 K C 1.084 177.649 176.600 -0.059 0.000 1.055 1529 K CA 2.291 58.562 56.287 -0.026 0.000 0.965 1529 K CB -0.392 32.102 32.500 -0.010 0.000 0.730 1529 K HN 0.715 nan 8.250 nan 0.000 0.449 1530 K N 1.154 121.519 120.400 -0.058 0.000 2.344 1530 K HA -0.129 4.191 4.320 0.000 0.000 0.260 1530 K C -0.300 176.254 176.600 -0.078 0.000 0.988 1530 K CA 0.629 56.881 56.287 -0.059 0.000 0.909 1530 K CB 0.366 32.843 32.500 -0.039 0.000 0.968 1530 K HN 0.174 nan 8.250 nan 0.000 0.505 1531 D N -0.098 120.264 120.400 -0.063 0.000 2.931 1531 D HA -0.184 4.456 4.640 0.000 0.000 0.228 1531 D C -0.654 175.604 176.300 -0.071 0.000 1.180 1531 D CA 1.313 55.282 54.000 -0.052 0.000 0.784 1531 D CB -1.165 39.608 40.800 -0.046 0.000 1.093 1531 D HN 0.358 nan 8.370 nan 0.000 0.421 1532 S N -0.019 115.610 115.700 -0.118 0.000 2.420 1532 S HA 0.476 4.946 4.470 0.000 0.000 0.313 1532 S C -0.577 173.901 174.600 -0.202 0.000 1.079 1532 S CA -0.876 57.243 58.200 -0.135 0.000 1.104 1532 S CB 0.579 63.710 63.200 -0.115 0.000 0.969 1532 S HN 0.228 nan 8.310 nan 0.000 0.471 1533 L N 6.888 128.025 121.223 -0.143 0.000 2.287 1533 L HA 0.491 4.831 4.340 0.000 0.000 0.287 1533 L C -0.175 176.625 176.870 -0.116 0.000 1.022 1533 L CA -0.424 54.306 54.840 -0.183 0.000 0.814 1533 L CB 0.547 42.565 42.059 -0.069 0.000 1.217 1533 L HN 0.738 nan 8.230 nan 0.000 0.420 1534 Y N 3.702 124.020 120.300 0.031 0.000 2.736 1534 Y HA -0.143 4.407 4.550 0.000 0.000 0.298 1534 Y C 1.510 177.363 175.900 -0.079 0.000 1.156 1534 Y CA 0.614 58.723 58.100 0.015 0.000 1.384 1534 Y CB -0.602 37.849 38.460 -0.014 0.000 0.976 1534 Y HN 0.554 nan 8.280 nan 0.000 0.556 1535 K N -0.369 120.044 120.400 0.021 0.000 2.183 1535 K HA 0.005 4.325 4.320 0.000 0.000 0.218 1535 K C 1.514 178.050 176.600 -0.106 0.000 1.025 1535 K CA 0.838 57.088 56.287 -0.062 0.000 0.944 1535 K CB -0.868 31.610 32.500 -0.037 0.000 0.936 1535 K HN 0.069 nan 8.250 nan 0.000 0.460 1536 D N 1.235 121.581 120.400 -0.090 0.000 2.263 1536 D HA -0.054 4.586 4.640 0.000 0.000 0.208 1536 D C 1.455 177.448 176.300 -0.512 0.000 0.971 1536 D CA 0.830 54.756 54.000 -0.124 0.000 0.867 1536 D CB 0.108 40.928 40.800 0.033 0.000 0.929 1536 D HN 0.317 nan 8.370 nan 0.000 0.492 1537 A N -0.245 122.246 122.820 -0.548 0.000 2.066 1537 A HA -0.063 4.257 4.320 0.000 0.000 0.218 1537 A C 1.709 178.954 177.584 -0.566 0.000 1.157 1537 A CA 0.740 52.161 52.037 -1.026 0.000 0.670 1537 A CB -0.136 18.738 19.000 -0.210 0.000 0.804 1537 A HN 0.156 nan 8.150 nan 0.000 0.453 1538 M N -0.557 118.931 119.600 -0.187 0.000 2.505 1538 M HA 0.142 4.622 4.480 0.000 0.000 0.230 1538 M C 0.816 177.166 176.300 0.082 0.000 1.153 1538 M CA 0.594 55.950 55.300 0.094 0.000 0.997 1538 M CB 0.134 32.787 32.600 0.088 0.000 1.606 1538 M HN 0.373 nan 8.290 nan 0.000 0.481 1539 Q N -1.228 118.513 119.800 -0.098 0.000 2.279 1539 Q HA 0.108 4.448 4.340 0.000 0.000 0.261 1539 Q C 1.389 177.428 176.000 0.066 0.000 0.796 1539 Q CA 0.544 56.361 55.803 0.022 0.000 0.971 1539 Q CB -0.033 28.724 28.738 0.032 0.000 1.179 1539 Q HN 0.652 nan 8.270 nan 0.000 0.505 1540 Y N -0.748 119.603 120.300 0.084 0.000 2.546 1540 Y HA 0.530 5.080 4.550 0.000 0.000 0.287 1540 Y C 1.731 177.643 175.900 0.019 0.000 1.158 1540 Y CA 0.098 58.227 58.100 0.049 0.000 1.307 1540 Y CB -0.843 37.641 38.460 0.040 0.000 1.036 1540 Y HN -0.019 nan 8.280 nan 0.000 0.532 1541 A N 0.376 123.373 122.820 0.295 0.000 1.878 1541 A HA -0.084 4.236 4.320 0.000 0.000 0.213 1541 A C 2.492 180.077 177.584 0.002 0.000 1.192 1541 A CA 1.296 53.422 52.037 0.148 0.000 0.619 1541 A CB -1.277 17.751 19.000 0.047 0.000 0.837 1541 A HN 0.427 nan 8.150 nan 0.000 0.446 1542 S N 0.318 116.015 115.700 -0.005 0.000 2.393 1542 S HA -0.321 4.149 4.470 0.000 0.000 0.234 1542 S C 1.720 176.165 174.600 -0.259 0.000 1.064 1542 S CA 2.286 60.430 58.200 -0.093 0.000 1.088 1542 S CB -0.548 62.687 63.200 0.057 0.000 0.939 1542 S HN 0.659 nan 8.310 nan 0.000 0.448 1543 E N 0.963 121.088 120.200 -0.124 0.000 2.338 1543 E HA 0.024 4.374 4.350 0.000 0.000 0.197 1543 E C 0.995 177.538 176.600 -0.096 0.000 1.007 1543 E CA 0.296 56.622 56.400 -0.123 0.000 0.849 1543 E CB -0.082 29.610 29.700 -0.014 0.000 0.774 1543 E HN 0.458 nan 8.360 nan 0.000 0.506 1544 S N 0.447 116.108 115.700 -0.066 0.000 2.589 1544 S HA -0.014 4.456 4.470 0.000 0.000 0.256 1544 S C 0.981 175.548 174.600 -0.055 0.000 1.383 1544 S CA 0.312 58.494 58.200 -0.031 0.000 0.983 1544 S CB 0.651 63.843 63.200 -0.013 0.000 0.908 1544 S HN 0.149 nan 8.310 nan 0.000 0.572 1545 K N -0.495 119.895 120.400 -0.017 0.000 2.567 1545 K HA 0.115 4.435 4.320 0.000 0.000 0.218 1545 K C -0.272 176.328 176.600 -0.001 0.000 1.440 1545 K CA 0.035 56.310 56.287 -0.021 0.000 0.995 1545 K CB 0.366 32.856 32.500 -0.016 0.000 1.186 1545 K HN 0.442 nan 8.250 nan 0.000 0.593 1546 D N 1.853 122.269 120.400 0.026 0.000 3.008 1546 D HA 0.031 4.671 4.640 0.000 0.000 0.242 1546 D C 0.450 176.772 176.300 0.037 0.000 1.222 1546 D CA 0.477 54.504 54.000 0.045 0.000 0.883 1546 D CB 0.025 40.888 40.800 0.106 0.000 1.110 1546 D HN 0.063 nan 8.370 nan 0.000 0.455 1547 T N 0.409 114.970 114.554 0.012 0.000 2.142 1547 T HA -0.398 3.952 4.350 0.000 0.000 0.179 1547 T C 1.555 176.270 174.700 0.025 0.000 1.682 1547 T CA 2.133 64.238 62.100 0.008 0.000 0.955 1547 T CB -0.562 68.318 68.868 0.021 0.000 0.784 1547 T HN 0.424 nan 8.240 nan 0.000 0.441 1548 E N 1.376 121.604 120.200 0.047 0.000 2.236 1548 E HA -0.158 4.192 4.350 0.000 0.000 0.205 1548 E C 2.088 178.737 176.600 0.083 0.000 1.028 1548 E CA 0.746 57.188 56.400 0.069 0.000 0.827 1548 E CB -0.745 28.995 29.700 0.067 0.000 0.735 1548 E HN 0.402 nan 8.360 nan 0.000 0.470 1549 L N 0.327 121.593 121.223 0.071 0.000 2.351 1549 L HA -0.134 4.206 4.340 0.000 0.000 0.220 1549 L C 2.172 179.085 176.870 0.072 0.000 1.127 1549 L CA 1.413 56.297 54.840 0.073 0.000 0.786 1549 L CB -1.230 40.866 42.059 0.061 0.000 0.914 1549 L HN 0.113 nan 8.230 nan 0.000 0.443 1550 A N -0.452 122.386 122.820 0.031 0.000 1.873 1550 A HA -0.196 4.124 4.320 0.000 0.000 0.215 1550 A C 2.147 179.944 177.584 0.354 0.000 1.186 1550 A CA 1.283 53.328 52.037 0.013 0.000 0.616 1550 A CB -0.334 18.633 19.000 -0.055 0.000 0.823 1550 A HN 0.453 nan 8.150 nan 0.000 0.442 1551 E N -0.357 119.994 120.200 0.252 0.000 2.153 1551 E HA -0.179 4.171 4.350 0.000 0.000 0.194 1551 E C 1.972 178.727 176.600 0.258 0.000 0.988 1551 E CA 0.993 57.543 56.400 0.250 0.000 0.811 1551 E CB -0.122 29.675 29.700 0.162 0.000 0.746 1551 E HN 0.618 nan 8.360 nan 0.000 0.466 1552 E N 0.802 121.132 120.200 0.216 0.000 2.012 1552 E HA -0.191 4.159 4.350 0.000 0.000 0.197 1552 E C 2.361 179.135 176.600 0.290 0.000 1.007 1552 E CA 0.855 57.370 56.400 0.191 0.000 0.816 1552 E CB -0.265 29.503 29.700 0.114 0.000 0.762 1552 E HN 0.244 nan 8.360 nan 0.000 0.451 1553 L N 0.484 121.922 121.223 0.359 0.000 1.971 1553 L HA -0.254 4.086 4.340 0.000 0.000 0.215 1553 L C 2.755 180.133 176.870 0.847 0.000 1.072 1553 L CA 0.852 56.037 54.840 0.575 0.000 0.758 1553 L CB -0.550 41.932 42.059 0.706 0.000 0.889 1553 L HN 0.165 nan 8.230 nan 0.000 0.433 1554 L N -0.090 121.697 121.223 0.940 0.000 1.990 1554 L HA -0.294 4.046 4.340 0.000 0.000 0.213 1554 L C 2.639 179.739 176.870 0.383 0.000 1.072 1554 L CA 1.950 57.200 54.840 0.684 0.000 0.755 1554 L CB -0.710 41.568 42.059 0.365 0.000 0.889 1554 L HN 0.274 nan 8.230 nan 0.000 0.432 1555 Q N -1.338 118.645 119.800 0.304 0.000 2.173 1555 Q HA -0.303 4.037 4.340 0.000 0.000 0.208 1555 Q C 1.957 178.077 176.000 0.199 0.000 0.989 1555 Q CA 2.638 58.562 55.803 0.200 0.000 0.872 1555 Q CB -0.737 28.121 28.738 0.199 0.000 0.909 1555 Q HN 0.682 nan 8.270 nan 0.000 0.420 1556 W N -0.488 120.869 121.300 0.096 0.000 2.409 1556 W HA -0.070 4.590 4.660 0.000 0.000 0.299 1556 W C 1.275 177.798 176.519 0.006 0.000 1.203 1556 W CA 0.939 58.290 57.345 0.010 0.000 1.298 1556 W CB -0.764 28.637 29.460 -0.099 0.000 1.127 1556 W HN 0.140 nan 8.180 nan 0.000 0.528 1557 F N 1.014 120.477 119.950 -0.813 0.000 2.085 1557 F HA -0.313 4.214 4.527 0.000 0.000 0.299 1557 F C 2.394 177.815 175.800 -0.632 0.000 1.096 1557 F CA 2.286 59.629 58.000 -1.096 0.000 1.227 1557 F CB -1.601 37.056 39.000 -0.571 0.000 0.983 1557 F HN -0.010 nan 8.300 nan 0.000 0.482 1558 L N 0.235 121.359 121.223 -0.164 0.000 1.989 1558 L HA -0.241 4.099 4.340 0.000 0.000 0.211 1558 L C 2.185 178.982 176.870 -0.121 0.000 1.071 1558 L CA 1.935 56.689 54.840 -0.143 0.000 0.749 1558 L CB -0.954 41.010 42.059 -0.159 0.000 0.890 1558 L HN 0.206 nan 8.230 nan 0.000 0.431 1559 Q N -1.345 118.404 119.800 -0.085 0.000 2.436 1559 Q HA -0.091 4.249 4.340 0.000 0.000 0.209 1559 Q C 1.155 177.147 176.000 -0.014 0.000 0.965 1559 Q CA 0.907 56.704 55.803 -0.011 0.000 0.910 1559 Q CB 0.245 29.022 28.738 0.066 0.000 0.980 1559 Q HN 0.549 nan 8.270 nan 0.000 0.491 1560 E N -0.875 119.257 120.200 -0.112 0.000 2.617 1560 E HA 0.094 4.444 4.350 0.000 0.000 0.208 1560 E C -0.373 176.183 176.600 -0.073 0.000 0.888 1560 E CA 0.286 56.670 56.400 -0.027 0.000 1.485 1560 E CB 1.142 30.959 29.700 0.196 0.000 1.482 1560 E HN 0.030 nan 8.360 nan 0.000 0.813 1561 E N -0.341 119.716 120.200 -0.239 0.000 2.456 1561 E HA 0.345 4.695 4.350 0.000 0.000 0.276 1561 E C 0.007 176.541 176.600 -0.109 0.000 0.981 1561 E CA -0.291 56.030 56.400 -0.132 0.000 0.814 1561 E CB 1.216 30.811 29.700 -0.173 0.000 1.382 1561 E HN -0.316 nan 8.360 nan 0.000 0.459 1562 K N 0.585 120.943 120.400 -0.070 0.000 2.425 1562 K HA 0.235 4.555 4.320 0.000 0.000 0.201 1562 K C 0.909 177.450 176.600 -0.099 0.000 1.128 1562 K CA -0.046 56.190 56.287 -0.085 0.000 1.000 1562 K CB 0.410 32.862 32.500 -0.080 0.000 0.961 1562 K HN 0.357 nan 8.250 nan 0.000 0.555 1563 R N 2.692 123.144 120.500 -0.081 0.000 2.386 1563 R HA -0.048 4.292 4.340 0.000 0.000 0.216 1563 R C 1.297 177.488 176.300 -0.182 0.000 1.119 1563 R CA 0.222 56.267 56.100 -0.092 0.000 1.158 1563 R CB -0.055 30.215 30.300 -0.050 0.000 1.057 1563 R HN 0.282 nan 8.270 nan 0.000 0.489 1564 E N -0.966 119.094 120.200 -0.233 0.000 2.187 1564 E HA -0.293 4.057 4.350 0.000 0.000 0.199 1564 E C 1.366 177.693 176.600 -0.455 0.000 1.004 1564 E CA 1.549 57.690 56.400 -0.432 0.000 0.813 1564 E CB -0.540 29.002 29.700 -0.263 0.000 0.736 1564 E HN 0.362 nan 8.360 nan 0.000 0.468 1565 C N 0.847 119.981 119.300 -0.277 0.000 2.437 1565 C HA -0.198 4.262 4.460 0.000 0.000 0.284 1565 C C 2.399 177.197 174.990 -0.320 0.000 1.208 1565 C CA 1.020 59.887 59.018 -0.251 0.000 1.764 1565 C CB -1.468 26.183 27.740 -0.148 0.000 2.039 1565 C HN 0.503 nan 8.230 nan 0.000 0.444 1566 F N 1.926 121.674 119.950 -0.338 0.000 2.236 1566 F HA -0.029 4.498 4.527 0.000 0.000 0.302 1566 F C 2.080 177.613 175.800 -0.445 0.000 1.073 1566 F CA 1.398 59.212 58.000 -0.311 0.000 1.336 1566 F CB -0.762 38.123 39.000 -0.193 0.000 1.040 1566 F HN 0.269 nan 8.300 nan 0.000 0.507 1567 G N -0.417 108.070 108.800 -0.522 0.000 2.679 1567 G HA2 -0.180 3.780 3.960 0.000 0.000 0.214 1567 G HA3 -0.180 3.780 3.960 0.000 0.000 0.214 1567 G C 1.802 175.844 174.900 -1.429 0.000 1.315 1567 G CA 0.833 45.221 45.100 -1.185 0.000 0.836 1567 G HN 0.474 nan 8.290 nan 0.000 0.580 1568 A N -0.942 121.137 122.820 -1.235 0.000 2.214 1568 A HA -0.119 4.201 4.320 0.000 0.000 0.221 1568 A C 2.363 179.529 177.584 -0.696 0.000 1.167 1568 A CA 2.079 53.569 52.037 -0.911 0.000 0.670 1568 A CB -0.807 17.887 19.000 -0.510 0.000 0.797 1568 A HN 0.427 nan 8.150 nan 0.000 0.477 1569 C N -2.374 116.456 119.300 -0.783 0.000 2.543 1569 C HA 0.209 4.669 4.460 0.000 0.000 0.289 1569 C C 2.362 176.958 174.990 -0.656 0.000 1.368 1569 C CA 0.499 58.899 59.018 -1.030 0.000 1.778 1569 C CB -1.262 25.892 27.740 -0.976 0.000 2.155 1569 C HN 0.701 nan 8.230 nan 0.000 0.529 1570 L N 0.373 121.322 121.223 -0.456 0.000 2.261 1570 L HA -0.124 4.216 4.340 0.000 0.000 0.216 1570 L C 2.156 179.092 176.870 0.109 0.000 1.114 1570 L CA 1.558 56.278 54.840 -0.201 0.000 0.777 1570 L CB -0.376 41.637 42.059 -0.077 0.000 0.910 1570 L HN 0.182 nan 8.230 nan 0.000 0.440 1571 F N 0.412 120.253 119.950 -0.182 0.000 2.031 1571 F HA -0.235 4.292 4.527 0.000 0.000 0.295 1571 F C 2.858 178.636 175.800 -0.037 0.000 1.133 1571 F CA 1.874 59.836 58.000 -0.063 0.000 1.188 1571 F CB -1.599 37.360 39.000 -0.069 0.000 0.974 1571 F HN 0.234 nan 8.300 nan 0.000 0.473 1572 T N -2.210 112.412 114.554 0.114 0.000 2.684 1572 T HA -0.266 4.084 4.350 0.000 0.000 0.267 1572 T C 2.182 176.945 174.700 0.104 0.000 1.036 1572 T CA 1.620 63.786 62.100 0.110 0.000 1.148 1572 T CB -1.567 67.401 68.868 0.168 0.000 0.863 1572 T HN 0.317 nan 8.240 nan 0.000 0.436 1573 C N -0.032 119.276 119.300 0.014 0.000 2.396 1573 C HA -0.106 4.354 4.460 0.000 0.000 0.279 1573 C C 1.268 176.220 174.990 -0.063 0.000 1.229 1573 C CA -0.157 58.840 59.018 -0.035 0.000 1.801 1573 C CB -1.799 25.866 27.740 -0.124 0.000 2.050 1573 C HN 0.548 nan 8.230 nan 0.000 0.491 1574 Y N 2.133 122.417 120.300 -0.027 0.000 2.624 1574 Y HA 0.214 4.764 4.550 0.000 0.000 0.354 1574 Y C 0.791 176.688 175.900 -0.005 0.000 1.051 1574 Y CA 0.564 58.654 58.100 -0.016 0.000 1.377 1574 Y CB -0.816 37.640 38.460 -0.007 0.000 1.168 1574 Y HN 0.473 nan 8.280 nan 0.000 0.525 1575 D N 0.805 121.292 120.400 0.146 0.000 3.899 1575 D HA -0.328 4.312 4.640 0.000 0.000 0.146 1575 D C -1.264 175.088 176.300 0.088 0.000 0.820 1575 D CA 1.847 55.909 54.000 0.104 0.000 1.056 1575 D CB -0.732 40.150 40.800 0.136 0.000 0.474 1575 D HN 0.338 nan 8.370 nan 0.000 0.457 1576 L N -0.145 121.139 121.223 0.103 0.000 2.588 1576 L HA 0.471 4.811 4.340 0.000 0.000 0.263 1576 L C -0.645 176.284 176.870 0.099 0.000 0.935 1576 L CA -0.408 54.494 54.840 0.104 0.000 0.891 1576 L CB 1.602 43.716 42.059 0.093 0.000 1.318 1576 L HN 0.522 nan 8.230 nan 0.000 0.409 1577 L N 1.023 122.310 121.223 0.108 0.000 3.039 1577 L HA 0.602 4.942 4.340 0.000 0.000 0.269 1577 L C 0.733 177.677 176.870 0.123 0.000 1.169 1577 L CA -0.316 54.578 54.840 0.090 0.000 0.986 1577 L CB 0.153 42.242 42.059 0.051 0.000 1.377 1577 L HN 0.415 nan 8.230 nan 0.000 0.575 1578 R N 2.513 123.107 120.500 0.157 0.000 2.755 1578 R HA 0.460 4.800 4.340 0.000 0.000 0.268 1578 R C -2.413 173.976 176.300 0.149 0.000 1.295 1578 R CA -1.791 54.417 56.100 0.180 0.000 1.379 1578 R CB 0.568 31.001 30.300 0.221 0.000 1.170 1578 R HN 0.136 nan 8.270 nan 0.000 0.584 1579 P HA 0.132 nan 4.420 nan 0.000 0.323 1579 P C 0.351 177.699 177.300 0.080 0.000 1.319 1579 P CA -0.321 62.833 63.100 0.090 0.000 0.741 1579 P CB 0.750 32.490 31.700 0.067 0.000 1.545 1580 D N -1.077 119.356 120.400 0.055 0.000 2.117 1580 D HA -0.102 4.538 4.640 0.000 0.000 0.198 1580 D C 2.000 178.253 176.300 -0.080 0.000 0.982 1580 D CA 0.951 54.966 54.000 0.025 0.000 0.828 1580 D CB -1.116 39.708 40.800 0.041 0.000 0.967 1580 D HN -0.085 nan 8.370 nan 0.000 0.464 1581 V N 1.081 120.966 119.914 -0.048 0.000 2.277 1581 V HA -0.288 3.832 4.120 0.000 0.000 0.255 1581 V C 2.595 178.620 176.094 -0.116 0.000 1.074 1581 V CA 1.617 63.873 62.300 -0.074 0.000 1.058 1581 V CB -0.743 31.073 31.823 -0.012 0.000 0.656 1581 V HN 0.090 nan 8.190 nan 0.000 0.449 1582 V N -0.771 119.115 119.914 -0.046 0.000 2.446 1582 V HA -0.092 4.028 4.120 0.000 0.000 0.244 1582 V C 2.203 178.257 176.094 -0.066 0.000 1.039 1582 V CA 1.319 63.607 62.300 -0.019 0.000 1.045 1582 V CB -0.496 31.380 31.823 0.089 0.000 0.681 1582 V HN 0.439 nan 8.190 nan 0.000 0.459 1583 L N 0.255 121.469 121.223 -0.014 0.000 2.261 1583 L HA -0.217 4.123 4.340 0.000 0.000 0.216 1583 L C 2.473 178.821 176.870 -0.870 0.000 1.114 1583 L CA 1.935 56.853 54.840 0.130 0.000 0.777 1583 L CB -0.403 41.858 42.059 0.338 0.000 0.910 1583 L HN 0.496 nan 8.230 nan 0.000 0.440 1584 E N -0.333 119.043 120.200 -1.373 0.000 2.099 1584 E HA -0.118 4.232 4.350 0.000 0.000 0.191 1584 E C 1.939 177.818 176.600 -1.202 0.000 0.962 1584 E CA 0.910 55.804 56.400 -2.510 0.000 0.826 1584 E CB 0.173 28.913 29.700 -1.600 0.000 0.788 1584 E HN 0.250 nan 8.360 nan 0.000 0.461 1585 T N 0.975 115.189 114.554 -0.568 0.000 2.774 1585 T HA -0.295 4.055 4.350 0.000 0.000 0.264 1585 T C 1.691 176.312 174.700 -0.132 0.000 1.037 1585 T CA 1.639 63.614 62.100 -0.208 0.000 1.152 1585 T CB -0.336 68.496 68.868 -0.060 0.000 0.842 1585 T HN 0.338 nan 8.240 nan 0.000 0.483 1586 A N -0.130 122.498 122.820 -0.319 0.000 2.072 1586 A HA 0.077 4.397 4.320 0.000 0.000 0.216 1586 A C 1.939 179.508 177.584 -0.025 0.000 1.156 1586 A CA 0.542 52.504 52.037 -0.125 0.000 0.701 1586 A CB -0.477 18.516 19.000 -0.011 0.000 0.816 1586 A HN 0.576 nan 8.150 nan 0.000 0.458 1587 W N 0.310 121.455 121.300 -0.260 0.000 2.452 1587 W HA 0.039 4.699 4.660 -0.000 0.000 0.313 1587 W C 2.358 178.832 176.519 -0.075 0.000 1.176 1587 W CA 0.758 57.979 57.345 -0.206 0.000 1.350 1587 W CB -1.207 28.121 29.460 -0.219 0.000 1.148 1587 W HN 0.439 nan 8.180 nan 0.000 0.498 1588 R N -0.359 120.246 120.500 0.175 0.000 2.193 1588 R HA -0.123 4.217 4.340 0.000 0.000 0.229 1588 R C 1.126 177.470 176.300 0.073 0.000 1.110 1588 R CA 1.381 57.532 56.100 0.085 0.000 0.988 1588 R CB -0.464 29.851 30.300 0.025 0.000 0.871 1588 R HN 0.280 nan 8.270 nan 0.000 0.458 1589 H N -0.469 118.606 119.070 0.008 0.000 3.591 1589 H HA 0.104 4.660 4.556 0.000 0.000 0.197 1589 H C 1.448 176.796 175.328 0.034 0.000 1.601 1589 H CA 0.010 56.064 56.048 0.009 0.000 1.631 1589 H CB 0.462 30.217 29.762 -0.012 0.000 0.864 1589 H HN 0.114 nan 8.280 nan 0.000 0.846 1590 N N 1.685 120.500 118.700 0.191 0.000 2.133 1590 N HA -0.270 4.470 4.740 0.000 0.000 0.193 1590 N C 1.537 177.127 175.510 0.133 0.000 1.012 1590 N CA 1.733 54.840 53.050 0.094 0.000 0.871 1590 N CB -0.120 38.373 38.487 0.010 0.000 1.011 1590 N HN 0.734 nan 8.380 nan 0.000 0.435 1591 I N -0.824 119.850 120.570 0.174 0.000 4.907 1591 I HA -0.402 3.768 4.170 0.000 0.000 0.038 1591 I C 0.483 176.747 176.117 0.244 0.000 0.635 1591 I CA 1.517 62.935 61.300 0.196 0.000 0.208 1591 I CB -0.797 37.275 38.000 0.120 0.000 0.321 1591 I HN 0.318 nan 8.210 nan 0.000 0.150 1592 M N 2.868 122.557 119.600 0.147 0.000 2.330 1592 M HA -0.129 4.351 4.480 0.000 0.000 0.436 1592 M C 0.245 176.612 176.300 0.111 0.000 1.536 1592 M CA 2.275 57.644 55.300 0.114 0.000 0.842 1592 M CB -1.169 31.475 32.600 0.072 0.000 2.060 1592 M HN 0.668 nan 8.290 nan 0.000 0.511 1593 D N 3.115 123.575 120.400 0.100 0.000 2.839 1593 D HA -0.278 4.362 4.640 0.000 0.000 0.194 1593 D C 0.349 176.715 176.300 0.110 0.000 0.988 1593 D CA 1.445 55.486 54.000 0.068 0.000 1.009 1593 D CB -2.122 38.693 40.800 0.025 0.000 1.067 1593 D HN 0.742 nan 8.370 nan 0.000 0.444 1594 F N 0.802 120.775 119.950 0.039 0.000 2.619 1594 F HA 0.390 4.917 4.527 0.000 0.000 0.293 1594 F C 1.236 177.079 175.800 0.073 0.000 1.119 1594 F CA 0.797 58.842 58.000 0.074 0.000 1.445 1594 F CB 0.422 39.512 39.000 0.150 0.000 1.119 1594 F HN 0.018 nan 8.300 nan 0.000 0.573 1595 A N 1.504 124.407 122.820 0.138 0.000 2.671 1595 A HA 0.407 4.727 4.320 0.000 0.000 0.306 1595 A C 0.349 177.918 177.584 -0.026 0.000 1.473 1595 A CA -0.050 52.017 52.037 0.050 0.000 1.155 1595 A CB -0.377 18.669 19.000 0.077 0.000 1.123 1595 A HN 0.595 nan 8.150 nan 0.000 0.545 1596 M N 0.771 120.322 119.600 -0.083 0.000 2.102 1596 M HA 0.204 4.684 4.480 0.000 0.000 0.199 1596 M C -1.871 174.440 176.300 0.017 0.000 1.558 1596 M CA -0.268 55.014 55.300 -0.029 0.000 0.982 1596 M CB -0.802 31.782 32.600 -0.027 0.000 1.521 1596 M HN 0.285 nan 8.290 nan 0.000 0.571 1597 P HA -0.232 nan 4.420 nan 0.000 0.264 1597 P C -1.252 176.106 177.300 0.097 0.000 1.113 1597 P CA 1.406 64.351 63.100 -0.259 0.000 0.756 1597 P CB 0.203 31.677 31.700 -0.375 0.000 0.674 1598 Y N 2.007 122.257 120.300 -0.083 0.000 3.147 1598 Y HA 0.102 4.652 4.550 0.000 0.000 0.219 1598 Y C 1.922 177.792 175.900 -0.049 0.000 1.021 1598 Y CA 0.438 58.561 58.100 0.038 0.000 1.440 1598 Y CB -0.569 37.950 38.460 0.098 0.000 1.472 1598 Y HN 0.309 nan 8.280 nan 0.000 0.408 1599 F N -0.461 119.483 119.950 -0.010 0.000 2.179 1599 F HA 0.125 4.652 4.527 0.000 0.000 0.292 1599 F C 1.851 177.614 175.800 -0.061 0.000 1.089 1599 F CA 0.930 58.894 58.000 -0.060 0.000 1.295 1599 F CB -1.584 37.375 39.000 -0.068 0.000 1.041 1599 F HN -0.092 nan 8.300 nan 0.000 0.487 1600 I N 0.426 120.423 120.570 -0.955 0.000 2.381 1600 I HA -0.292 3.878 4.170 0.000 0.000 0.255 1600 I C 1.822 177.797 176.117 -0.236 0.000 1.140 1600 I CA 1.410 62.397 61.300 -0.523 0.000 1.404 1600 I CB -0.592 37.036 38.000 -0.620 0.000 1.075 1600 I HN 0.287 nan 8.210 nan 0.000 0.433 1601 Q N -0.370 119.292 119.800 -0.231 0.000 2.376 1601 Q HA 0.041 4.381 4.340 0.000 0.000 0.206 1601 Q C 2.217 178.174 176.000 -0.072 0.000 0.921 1601 Q CA 0.502 56.230 55.803 -0.125 0.000 0.911 1601 Q CB -0.200 28.457 28.738 -0.135 0.000 1.032 1601 Q HN 0.284 nan 8.270 nan 0.000 0.510 1602 V N 1.473 121.336 119.914 -0.085 0.000 2.392 1602 V HA -0.290 3.830 4.120 0.000 0.000 0.249 1602 V C 2.033 178.107 176.094 -0.034 0.000 1.059 1602 V CA 2.181 64.446 62.300 -0.058 0.000 1.051 1602 V CB -0.714 31.059 31.823 -0.083 0.000 0.658 1602 V HN 0.552 nan 8.190 nan 0.000 0.455 1603 M N -1.638 117.936 119.600 -0.042 0.000 2.447 1603 M HA 0.055 4.535 4.480 0.000 0.000 0.264 1603 M C 1.963 178.324 176.300 0.100 0.000 1.095 1603 M CA 1.409 56.716 55.300 0.012 0.000 1.125 1603 M CB -0.457 32.144 32.600 0.002 0.000 1.389 1603 M HN 0.052 nan 8.290 nan 0.000 0.459 1604 K N 1.463 121.892 120.400 0.049 0.000 1.973 1604 K HA -0.048 4.272 4.320 0.000 0.000 0.210 1604 K C 1.861 178.498 176.600 0.061 0.000 1.045 1604 K CA 1.707 58.020 56.287 0.043 0.000 0.937 1604 K CB -0.169 32.331 32.500 0.000 0.000 0.721 1604 K HN 0.426 nan 8.250 nan 0.000 0.438 1605 E N -0.370 119.864 120.200 0.057 0.000 2.478 1605 E HA -0.140 4.210 4.350 0.000 0.000 0.198 1605 E C 1.527 178.172 176.600 0.076 0.000 1.046 1605 E CA 0.376 56.804 56.400 0.047 0.000 0.870 1605 E CB 0.105 29.818 29.700 0.022 0.000 0.818 1605 E HN 0.288 nan 8.360 nan 0.000 0.527 1606 Y N 0.453 120.745 120.300 -0.014 0.000 2.220 1606 Y HA -0.071 4.479 4.550 0.000 0.000 0.291 1606 Y C 1.624 177.525 175.900 0.001 0.000 1.129 1606 Y CA 1.110 59.206 58.100 -0.006 0.000 1.161 1606 Y CB 0.239 38.699 38.460 -0.000 0.000 0.997 1606 Y HN -0.056 nan 8.280 nan 0.000 0.522 1607 L N -0.250 121.072 121.223 0.166 0.000 2.715 1607 L HA 0.088 4.428 4.340 0.000 0.000 0.238 1607 L C 0.633 177.528 176.870 0.042 0.000 1.212 1607 L CA 0.511 55.406 54.840 0.092 0.000 1.017 1607 L CB -0.176 41.943 42.059 0.101 0.000 1.269 1607 L HN 0.140 nan 8.230 nan 0.000 0.452 1608 T N -2.896 111.670 114.554 0.020 0.000 3.046 1608 T HA 0.087 4.437 4.350 0.000 0.000 0.270 1608 T C 1.614 176.299 174.700 -0.025 0.000 0.920 1608 T CA -0.182 61.919 62.100 0.002 0.000 0.874 1608 T CB 0.750 69.623 68.868 0.008 0.000 1.214 1608 T HN 0.088 nan 8.240 nan 0.000 0.536 1609 K N 0.727 121.092 120.400 -0.057 0.000 2.262 1609 K HA 0.259 4.579 4.320 0.000 0.000 0.200 1609 K C 2.045 178.580 176.600 -0.109 0.000 1.058 1609 K CA 0.381 56.612 56.287 -0.094 0.000 0.974 1609 K CB 0.082 32.495 32.500 -0.145 0.000 0.910 1609 K HN 0.038 nan 8.250 nan 0.000 0.484 1610 V N 2.866 122.701 119.914 -0.133 0.000 2.720 1610 V HA -0.234 3.886 4.120 0.000 0.000 0.256 1610 V C 1.686 177.747 176.094 -0.055 0.000 1.082 1610 V CA 2.560 64.796 62.300 -0.106 0.000 1.101 1610 V CB -0.272 31.497 31.823 -0.089 0.000 0.693 1610 V HN 0.387 nan 8.190 nan 0.000 0.479 1611 D N -0.732 119.644 120.400 -0.040 0.000 2.194 1611 D HA -0.161 4.479 4.640 0.000 0.000 0.204 1611 D C 2.025 178.309 176.300 -0.026 0.000 0.964 1611 D CA 1.336 55.323 54.000 -0.022 0.000 0.846 1611 D CB -0.229 40.565 40.800 -0.011 0.000 0.962 1611 D HN 0.457 nan 8.370 nan 0.000 0.490 1612 K N 0.183 120.561 120.400 -0.036 0.000 1.969 1612 K HA -0.095 4.225 4.320 0.000 0.000 0.216 1612 K C 2.328 178.909 176.600 -0.031 0.000 1.048 1612 K CA 1.558 57.826 56.287 -0.033 0.000 0.948 1612 K CB -0.434 32.041 32.500 -0.041 0.000 0.726 1612 K HN 0.213 nan 8.250 nan 0.000 0.442 1613 L N 1.294 122.492 121.223 -0.040 0.000 2.127 1613 L HA -0.234 4.106 4.340 0.000 0.000 0.211 1613 L C 1.973 178.827 176.870 -0.026 0.000 1.089 1613 L CA 1.004 55.823 54.840 -0.035 0.000 0.757 1613 L CB -0.620 41.413 42.059 -0.044 0.000 0.899 1613 L HN 0.237 nan 8.230 nan 0.000 0.434 1614 D N 0.465 120.851 120.400 -0.025 0.000 2.097 1614 D HA -0.124 4.516 4.640 0.000 0.000 0.197 1614 D C 2.307 178.600 176.300 -0.012 0.000 0.984 1614 D CA 1.550 55.541 54.000 -0.016 0.000 0.826 1614 D CB -0.045 40.747 40.800 -0.013 0.000 0.973 1614 D HN 0.296 nan 8.370 nan 0.000 0.460 1615 A N 0.785 123.597 122.820 -0.013 0.000 1.940 1615 A HA -0.166 4.154 4.320 0.000 0.000 0.219 1615 A C 2.453 180.031 177.584 -0.010 0.000 1.176 1615 A CA 1.782 53.813 52.037 -0.010 0.000 0.631 1615 A CB -0.547 18.447 19.000 -0.010 0.000 0.814 1615 A HN 0.134 nan 8.150 nan 0.000 0.446 1616 S N -0.772 114.920 115.700 -0.013 0.000 2.353 1616 S HA -0.210 4.260 4.470 0.000 0.000 0.222 1616 S C 1.977 176.571 174.600 -0.011 0.000 1.035 1616 S CA 1.691 59.883 58.200 -0.013 0.000 1.025 1616 S CB -0.275 62.915 63.200 -0.016 0.000 0.902 1616 S HN 0.802 nan 8.310 nan 0.000 0.440 1617 E N 0.797 120.991 120.200 -0.011 0.000 2.208 1617 E HA -0.062 4.288 4.350 0.000 0.000 0.193 1617 E C 1.870 178.466 176.600 -0.006 0.000 0.988 1617 E CA 0.955 57.350 56.400 -0.008 0.000 0.828 1617 E CB -0.042 29.653 29.700 -0.008 0.000 0.763 1617 E HN 0.357 nan 8.360 nan 0.000 0.478 1618 S N 0.896 116.593 115.700 -0.006 0.000 2.353 1618 S HA -0.136 4.334 4.470 0.000 0.000 0.222 1618 S C 1.756 176.353 174.600 -0.004 0.000 1.035 1618 S CA 0.889 59.086 58.200 -0.004 0.000 1.025 1618 S CB -0.192 63.006 63.200 -0.004 0.000 0.902 1618 S HN 0.297 nan 8.310 nan 0.000 0.440 1619 L N 1.460 122.679 121.223 -0.005 0.000 2.141 1619 L HA -0.002 4.338 4.340 0.000 0.000 0.209 1619 L C 2.506 179.373 176.870 -0.005 0.000 1.094 1619 L CA 1.304 56.142 54.840 -0.005 0.000 0.763 1619 L CB -1.275 40.780 42.059 -0.006 0.000 0.908 1619 L HN 0.325 nan 8.230 nan 0.000 0.437 1620 R N 0.575 121.071 120.500 -0.005 0.000 2.154 1620 R HA -0.277 4.063 4.340 0.000 0.000 0.236 1620 R C 2.305 178.603 176.300 -0.004 0.000 1.121 1620 R CA 2.246 58.343 56.100 -0.005 0.000 0.915 1620 R CB -0.057 30.240 30.300 -0.005 0.000 0.856 1620 R HN 0.131 nan 8.270 nan 0.000 0.431 1621 K N 0.474 120.872 120.400 -0.003 0.000 2.015 1621 K HA -0.276 4.044 4.320 0.000 0.000 0.220 1621 K C 1.922 178.521 176.600 -0.002 0.000 1.055 1621 K CA 2.316 58.602 56.287 -0.002 0.000 0.951 1621 K CB -0.502 31.997 32.500 -0.002 0.000 0.725 1621 K HN 0.360 nan 8.250 nan 0.000 0.449 1622 E N 0.716 120.914 120.200 -0.002 0.000 2.045 1622 E HA -0.370 3.980 4.350 0.000 0.000 0.212 1622 E C 2.105 178.703 176.600 -0.002 0.000 1.039 1622 E CA 2.088 58.486 56.400 -0.002 0.000 0.860 1622 E CB -0.217 29.482 29.700 -0.002 0.000 0.776 1622 E HN 0.401 nan 8.360 nan 0.000 0.467 1623 E N 0.088 120.286 120.200 -0.003 0.000 2.086 1623 E HA -0.303 4.047 4.350 0.000 0.000 0.205 1623 E C 2.125 178.724 176.600 -0.002 0.000 1.027 1623 E CA 2.025 58.424 56.400 -0.003 0.000 0.830 1623 E CB -0.090 29.608 29.700 -0.003 0.000 0.751 1623 E HN 0.398 nan 8.360 nan 0.000 0.456 1624 E N -0.096 120.102 120.200 -0.002 0.000 2.051 1624 E HA -0.231 4.119 4.350 0.000 0.000 0.192 1624 E C 2.324 178.923 176.600 -0.001 0.000 0.991 1624 E CA 1.342 57.741 56.400 -0.002 0.000 0.799 1624 E CB -0.076 29.623 29.700 -0.002 0.000 0.748 1624 E HN 0.374 nan 8.360 nan 0.000 0.449 1625 Q N 0.573 120.372 119.800 -0.001 0.000 1.935 1625 Q HA -0.246 4.094 4.340 0.000 0.000 0.212 1625 Q C 2.368 178.368 176.000 -0.001 0.000 1.008 1625 Q CA 1.677 57.479 55.803 -0.001 0.000 0.868 1625 Q CB -0.475 28.262 28.738 -0.001 0.000 0.946 1625 Q HN 0.263 nan 8.270 nan 0.000 0.418 1626 A N 0.809 123.628 122.820 -0.001 0.000 1.971 1626 A HA -0.288 4.032 4.320 0.000 0.000 0.222 1626 A C 2.279 179.862 177.584 -0.001 0.000 1.182 1626 A CA 2.365 54.402 52.037 -0.001 0.000 0.649 1626 A CB -1.308 17.691 19.000 -0.001 0.000 0.818 1626 A HN 0.495 nan 8.150 nan 0.000 0.458 1627 T N -0.722 113.831 114.554 -0.001 0.000 2.588 1627 T HA -0.183 4.167 4.350 0.000 0.000 0.261 1627 T C 1.794 176.493 174.700 -0.001 0.000 1.069 1627 T CA 1.429 63.529 62.100 -0.001 0.000 1.172 1627 T CB -0.393 68.474 68.868 -0.002 0.000 0.863 1627 T HN 0.684 nan 8.240 nan 0.000 0.408 1628 E N 0.584 120.783 120.200 -0.001 0.000 2.333 1628 E HA -0.111 4.239 4.350 0.000 0.000 0.200 1628 E C -0.035 176.564 176.600 -0.001 0.000 1.010 1628 E CA 0.817 57.216 56.400 -0.001 0.000 0.841 1628 E CB 0.128 29.828 29.700 -0.001 0.000 0.757 1628 E HN 0.309 nan 8.360 nan 0.000 0.508 1629 T N 0.434 114.988 114.554 -0.001 0.000 3.734 1629 T HA 0.207 4.557 4.350 0.000 0.000 0.238 1629 T C -0.799 173.901 174.700 -0.001 0.000 1.205 1629 T CA -0.350 61.749 62.100 -0.001 0.000 1.606 1629 T CB 0.910 69.777 68.868 -0.000 0.000 0.832 1629 T HN 0.052 nan 8.240 nan 0.000 0.655 1630 Q N 0.000 119.800 119.800 -0.001 0.000 2.315 1630 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 1630 Q CA 0.000 55.803 55.803 -0.001 0.000 1.022 1630 Q CB 0.000 28.738 28.738 -0.001 0.000 1.108 1630 Q HN 0.000 nan 8.270 nan 0.000 0.481