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_C 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 1.105 119.814 118.700 0.015 0.000 2.651 1078 N HA -0.122 4.618 4.740 -0.000 0.000 0.193 1078 N C 0.862 176.392 175.510 0.033 0.000 1.149 1078 N CA 1.307 54.372 53.050 0.026 0.000 0.933 1078 N CB -0.177 38.343 38.487 0.056 0.000 0.974 1078 N HN 0.622 nan 8.380 nan 0.000 0.448 1079 T N -1.015 113.551 114.554 0.021 0.000 3.366 1079 T HA 0.247 4.597 4.350 -0.000 0.000 0.249 1079 T C 0.348 175.035 174.700 -0.022 0.000 1.028 1079 T CA -0.001 62.111 62.100 0.020 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 -0.070 115.607 115.700 -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 58.244 58.200 -0.075 0.000 1.250 1080 S CB -0.457 62.698 63.200 -0.074 0.000 0.933 1080 S HN 0.422 nan 8.310 nan 0.000 0.420 1081 A N 1.167 123.905 122.820 -0.137 0.000 2.194 1081 A HA 0.059 4.379 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 1.800 53.678 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 -1.099 118.677 119.914 -0.230 0.000 2.599 1082 V HA -0.095 4.025 4.120 -0.000 0.000 0.237 1082 V C 1.999 178.116 176.094 0.039 0.000 1.081 1082 V CA 1.446 63.703 62.300 -0.072 0.000 1.107 1082 V CB -0.428 31.527 31.823 0.220 0.000 0.808 1082 V HN 0.623 nan 8.190 nan 0.000 0.486 1083 Q N 0.166 119.974 119.800 0.014 0.000 2.449 1083 Q HA -0.103 4.237 4.340 -0.000 0.000 0.214 1083 Q C 1.310 177.295 176.000 -0.025 0.000 0.986 1083 Q CA 1.452 57.253 55.803 -0.003 0.000 0.893 1083 Q CB -0.125 28.565 28.738 -0.080 0.000 0.940 1083 Q HN 0.616 nan 8.270 nan 0.000 0.477 1084 V N 1.603 121.477 119.914 -0.067 0.000 3.170 1084 V HA 0.048 4.168 4.120 -0.000 0.000 0.354 1084 V C 0.727 176.782 176.094 -0.064 0.000 1.350 1084 V CA 0.166 62.423 62.300 -0.072 0.000 1.244 1084 V CB -0.382 31.379 31.823 -0.102 0.000 1.222 1084 V HN 0.314 nan 8.190 nan 0.000 0.478 1085 L N -2.006 119.220 121.223 0.006 0.000 3.001 1085 L HA 0.540 4.880 4.340 -0.000 0.000 0.234 1085 L C 0.611 177.553 176.870 0.120 0.000 1.321 1085 L CA -0.339 54.563 54.840 0.103 0.000 1.138 1085 L CB -0.639 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 1.519 122.136 120.570 0.079 0.000 3.288 1086 I HA -0.279 3.891 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 0.995 62.347 61.300 0.087 0.000 1.443 1086 I CB 0.590 38.638 38.000 0.081 0.000 1.290 1086 I HN 0.631 nan 8.210 nan 0.000 0.560 1087 E N 3.048 123.307 120.200 0.098 0.000 2.333 1087 E HA -0.312 4.038 4.350 -0.000 0.000 0.200 1087 E C 1.602 178.268 176.600 0.109 0.000 1.010 1087 E CA 1.733 58.189 56.400 0.092 0.000 0.841 1087 E CB -0.253 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 0.282 119.370 119.070 0.029 0.000 2.639 1088 H HA 0.204 4.760 4.556 -0.000 0.000 0.267 1088 H C 1.503 176.847 175.328 0.026 0.000 0.958 1088 H CA 0.346 56.407 56.048 0.022 0.000 1.221 1088 H CB 0.511 30.280 29.762 0.012 0.000 1.446 1088 H HN 0.221 nan 8.280 nan 0.000 0.512 1089 I N 0.229 120.846 120.570 0.078 0.000 3.956 1089 I HA 0.207 4.377 4.170 -0.000 0.000 0.333 1089 I C 0.588 176.754 176.117 0.081 0.000 1.302 1089 I CA 0.235 61.559 61.300 0.041 0.000 1.122 1089 I CB 1.124 39.158 38.000 0.056 0.000 1.013 1089 I HN 0.115 nan 8.210 nan 0.000 0.405 1090 G N 1.544 110.402 108.800 0.096 0.000 2.744 1090 G HA2 0.342 4.302 3.960 -0.000 0.000 0.286 1090 G HA3 0.342 4.302 3.960 -0.000 0.000 0.286 1090 G C -1.491 173.429 174.900 0.034 0.000 1.497 1090 G CA -0.375 44.810 45.100 0.142 0.000 1.070 1090 G HN 0.140 nan 8.290 nan 0.000 0.539 1091 N N 3.083 121.763 118.700 -0.032 0.000 2.410 1091 N HA 0.544 5.284 4.740 -0.000 0.000 0.287 1091 N C 0.998 176.438 175.510 -0.117 0.000 1.044 1091 N CA -0.839 52.181 53.050 -0.050 0.000 0.881 1091 N CB 1.386 39.835 38.487 -0.064 0.000 1.405 1091 N HN 0.511 nan 8.380 nan 0.000 0.490 1092 L N 1.239 122.422 121.223 -0.066 0.000 6.328 1092 L HA -0.361 3.979 4.340 -0.000 0.000 0.053 1092 L C -0.089 176.459 176.870 -0.537 0.000 2.032 1092 L CA 1.065 55.862 54.840 -0.072 0.000 1.701 1092 L CB -0.977 41.107 42.059 0.042 0.000 2.706 1092 L HN 0.635 nan 8.230 nan 0.000 1.012 1093 D N 0.589 120.801 120.400 -0.313 0.000 2.906 1093 D HA 0.089 4.729 4.640 -0.000 0.000 0.237 1093 D C 1.088 177.082 176.300 -0.510 0.000 1.201 1093 D CA 0.957 54.708 54.000 -0.414 0.000 0.998 1093 D CB -0.004 40.732 40.800 -0.106 0.000 1.183 1093 D HN 0.317 nan 8.370 nan 0.000 0.436 1094 R N -0.288 119.765 120.500 -0.745 0.000 3.372 1094 R HA 0.220 4.560 4.340 -0.000 0.000 0.150 1094 R C 1.847 177.493 176.300 -1.090 0.000 0.739 1094 R CA 0.404 56.144 56.100 -0.599 0.000 1.041 1094 R CB -0.320 29.815 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 -0.193 4.127 4.320 -0.000 0.000 0.220 1095 A C 1.370 178.457 177.584 -0.827 0.000 1.177 1095 A CA 1.704 53.295 52.037 -0.743 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 -1.728 118.302 120.300 -0.450 0.000 2.532 1096 Y HA 0.481 5.031 4.550 -0.000 0.000 0.283 1096 Y C 1.378 177.093 175.900 -0.309 0.000 1.181 1096 Y CA -0.089 57.836 58.100 -0.290 0.000 1.256 1096 Y CB -0.344 38.025 38.460 -0.150 0.000 1.112 1096 Y HN 0.286 nan 8.280 nan 0.000 0.521 1097 E N 0.529 120.365 120.200 -0.608 0.000 2.415 1097 E HA 0.069 4.419 4.350 -0.000 0.000 0.197 1097 E C -0.073 176.408 176.600 -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 0.612 nan 8.360 nan 0.000 0.496 1098 F N -2.331 117.608 119.950 -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 -1.003 56.996 58.000 -0.001 0.000 1.270 1098 F CB -0.273 38.718 39.000 -0.016 0.000 0.979 1098 F HN -0.159 nan 8.300 nan 0.000 0.506 1099 A N -0.228 122.733 122.820 0.236 0.000 2.192 1099 A HA 0.165 4.485 4.320 -0.000 0.000 0.208 1099 A C 1.937 179.607 177.584 0.143 0.000 1.220 1099 A CA 0.308 52.480 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 0.385 nan 8.150 nan 0.000 0.487 1100 E N 0.267 120.521 120.200 0.091 0.000 2.358 1100 E HA -0.067 4.283 4.350 -0.000 0.000 0.195 1100 E C 1.856 178.497 176.600 0.068 0.000 1.010 1100 E CA 0.369 56.795 56.400 0.044 0.000 0.856 1100 E CB 0.022 29.731 29.700 0.016 0.000 0.795 1100 E HN 0.536 nan 8.360 nan 0.000 0.504 1101 R N -0.213 120.348 120.500 0.101 0.000 2.127 1101 R HA 0.051 4.391 4.340 -0.000 0.000 0.217 1101 R C 1.367 177.737 176.300 0.117 0.000 1.074 1101 R CA 0.626 56.785 56.100 0.097 0.000 0.991 1101 R CB -0.100 30.257 30.300 0.094 0.000 0.895 1101 R HN 0.222 nan 8.270 nan 0.000 0.450 1102 C N 0.010 119.396 119.300 0.144 0.000 2.478 1102 C HA 0.384 4.844 4.460 -0.000 0.000 0.379 1102 C C 1.072 176.216 174.990 0.257 0.000 1.470 1102 C CA -0.944 58.168 59.018 0.158 0.000 2.066 1102 C CB 0.584 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 -0.411 118.441 118.700 0.254 0.000 3.170 1103 N HA 0.107 4.847 4.740 -0.000 0.000 0.235 1103 N C 0.633 176.323 175.510 0.300 0.000 1.037 1103 N CA 0.378 53.630 53.050 0.337 0.000 1.160 1103 N CB 0.156 38.696 38.487 0.088 0.000 1.606 1103 N HN 0.893 nan 8.380 nan 0.000 0.580 1104 E N -0.511 119.814 120.200 0.207 0.000 2.933 1104 E HA 0.164 4.514 4.350 -0.000 0.000 0.175 1104 E C -2.769 173.855 176.600 0.039 0.000 0.932 1104 E CA -0.684 55.932 56.400 0.361 0.000 1.340 1104 E CB 0.122 30.235 29.700 0.689 0.000 1.025 1104 E HN 0.203 nan 8.360 nan 0.000 0.461 1105 P HA 0.333 nan 4.420 nan 0.000 0.277 1105 P C 0.227 177.271 177.300 -0.428 0.000 1.354 1105 P CA 1.001 63.976 63.100 -0.208 0.000 0.891 1105 P CB 0.763 32.399 31.700 -0.107 0.000 1.058 1106 A N 3.339 125.801 122.820 -0.597 0.000 6.643 1106 A HA -0.153 4.167 4.320 -0.000 0.000 0.230 1106 A C 0.445 177.441 177.584 -0.980 0.000 2.273 1106 A CA 0.124 51.773 52.037 -0.646 0.000 0.690 1106 A CB -2.006 16.794 19.000 -0.332 0.000 0.908 1106 A HN 0.625 nan 8.150 nan 0.000 0.366 1107 V N -1.955 117.615 119.914 -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 -2.133 29.545 31.823 -0.242 0.000 0.336 1107 V HN 1.130 nan 8.190 nan 0.000 0.650 1108 W N -0.601 120.704 121.300 0.008 0.000 2.842 1108 W HA 0.104 4.764 4.660 -0.000 0.000 0.267 1108 W C 2.163 178.674 176.519 -0.013 0.000 1.219 1108 W CA 0.501 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 -0.066 115.765 115.700 0.217 0.000 2.470 1109 S HA -0.120 4.350 4.470 -0.000 0.000 0.222 1109 S C 1.620 176.245 174.600 0.042 0.000 1.024 1109 S CA 0.782 59.033 58.200 0.084 0.000 0.931 1109 S CB 0.007 63.229 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 1.948 177.982 176.000 0.055 0.000 0.921 1110 Q CA 0.374 56.196 55.803 0.032 0.000 0.911 1110 Q CB -0.080 28.667 28.738 0.016 0.000 1.032 1110 Q HN 0.511 nan 8.270 nan 0.000 0.510 1111 L N 0.273 121.560 121.223 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 1.659 56.579 54.840 0.134 0.000 0.793 1111 L CB -0.807 41.398 42.059 0.244 0.000 0.927 1111 L HN 0.284 nan 8.230 nan 0.000 0.446 1112 A N -0.083 122.786 122.820 0.082 0.000 2.016 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 1.162 1112 A CA 1.168 53.217 52.037 0.020 0.000 0.662 1112 A CB -0.262 18.730 19.000 -0.013 0.000 0.812 1112 A HN 0.436 nan 8.150 nan 0.000 0.450 1113 K N -0.631 119.769 120.400 0.001 0.000 2.243 1113 K HA 0.158 4.478 4.320 -0.000 0.000 0.201 1113 K C 1.868 178.471 176.600 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 0.017 122.849 122.820 0.021 0.000 1.997 1114 A HA 0.021 4.341 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 0.442 52.496 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 -0.617 119.200 119.800 0.029 0.000 2.403 1115 Q HA 0.183 4.523 4.340 -0.000 0.000 0.203 1115 Q C 1.056 177.050 176.000 -0.009 0.000 0.932 1115 Q CA 0.341 56.155 55.803 0.018 0.000 0.945 1115 Q CB 0.511 29.269 28.738 0.034 0.000 1.045 1115 Q HN 0.452 nan 8.270 nan 0.000 0.511 1116 L N -0.544 120.671 121.223 -0.013 0.000 2.609 1116 L HA 0.122 4.462 4.340 -0.000 0.000 0.230 1116 L C 1.244 178.102 176.870 -0.021 0.000 1.087 1116 L CA 0.878 55.701 54.840 -0.028 0.000 0.874 1116 L CB 0.221 42.258 42.059 -0.037 0.000 1.114 1116 L HN 0.204 nan 8.230 nan 0.000 0.488 1117 Q N -0.364 119.430 119.800 -0.010 0.000 2.317 1117 Q HA 0.114 4.454 4.340 -0.000 0.000 0.220 1117 Q C -0.134 175.864 176.000 -0.004 0.000 0.873 1117 Q CA 0.209 56.008 55.803 -0.006 0.000 0.936 1117 Q CB 0.980 29.718 28.738 0.000 0.000 1.105 1117 Q HN 0.227 nan 8.270 nan 0.000 0.520 1118 K N 1.034 121.432 120.400 -0.003 0.000 2.579 1118 K HA 0.502 4.822 4.320 -0.000 0.000 0.225 1118 K C -0.265 176.322 176.600 -0.021 0.000 0.992 1118 K CA -0.202 56.083 56.287 -0.003 0.000 1.018 1118 K CB 1.597 34.106 32.500 0.015 0.000 1.249 1118 K HN 0.204 nan 8.250 nan 0.000 0.489 1119 G N 2.470 111.250 108.800 -0.033 0.000 2.760 1119 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.246 1119 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.246 1119 G C -0.741 174.127 174.900 -0.053 0.000 1.359 1119 G CA -0.594 44.474 45.100 -0.054 0.000 0.861 1119 G HN 0.558 nan 8.290 nan 0.000 0.541 1120 M N 0.850 120.411 119.600 -0.065 0.000 2.018 1120 M HA 0.634 5.114 4.480 -0.000 0.000 0.311 1120 M C -0.287 175.972 176.300 -0.068 0.000 0.928 1120 M CA -0.764 54.499 55.300 -0.062 0.000 0.911 1120 M CB 1.283 33.848 32.600 -0.057 0.000 1.447 1120 M HN 0.647 nan 8.290 nan 0.000 0.407 1121 V N 3.950 123.826 119.914 -0.062 0.000 3.177 1121 V HA -0.032 4.088 4.120 -0.000 0.000 0.220 1121 V C 1.602 177.663 176.094 -0.054 0.000 1.395 1121 V CA 0.920 63.186 62.300 -0.057 0.000 1.317 1121 V CB -0.116 31.679 31.823 -0.047 0.000 1.148 1121 V HN 0.933 nan 8.190 nan 0.000 0.499 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 2.889 59.127 56.287 -0.082 0.000 0.855 1122 K CB -1.085 31.347 32.500 -0.114 0.000 1.395 1122 K HN 0.588 nan 8.250 nan 0.000 0.537 1123 E N 0.922 121.069 120.200 -0.088 0.000 2.147 1123 E HA -0.255 4.095 4.350 -0.000 0.000 0.199 1123 E C 1.908 178.493 176.600 -0.024 0.000 1.005 1123 E CA 1.595 57.957 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 0.049 4.369 4.320 -0.000 0.000 0.209 1124 A C 1.895 179.498 177.584 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 0.099 120.681 120.570 0.020 0.000 3.444 1125 I HA -0.007 4.163 4.170 -0.000 0.000 0.287 1125 I C 0.582 176.698 176.117 -0.002 0.000 1.302 1125 I CA 1.052 62.386 61.300 0.056 0.000 1.368 1125 I CB -0.108 37.927 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 1.267 177.579 176.300 0.021 0.000 1.154 1126 D CA 0.267 54.172 54.000 -0.158 0.000 0.832 1126 D CB 0.456 41.074 40.800 -0.304 0.000 1.008 1126 D HN 0.071 nan 8.370 nan 0.000 0.506 1127 S N -0.903 114.862 115.700 0.110 0.000 2.846 1127 S HA 0.142 4.612 4.470 -0.000 0.000 0.249 1127 S C -0.285 174.450 174.600 0.226 0.000 1.028 1127 S CA -0.409 57.914 58.200 0.205 0.000 1.043 1127 S CB -0.004 63.290 63.200 0.156 0.000 0.990 1127 S HN 0.259 nan 8.310 nan 0.000 0.564 1128 Y N 1.272 121.568 120.300 -0.007 0.000 2.888 1128 Y HA 0.410 4.960 4.550 -0.000 0.000 0.260 1128 Y C 0.443 176.350 175.900 0.012 0.000 1.113 1128 Y CA -0.472 57.637 58.100 0.015 0.000 1.237 1128 Y CB 0.529 39.022 38.460 0.056 0.000 1.307 1128 Y HN 0.453 nan 8.280 nan 0.000 0.580 1129 I N -3.339 117.100 120.570 -0.219 0.000 4.670 1129 I HA 0.343 4.513 4.170 -0.000 0.000 0.339 1129 I C 0.385 175.869 176.117 -1.054 0.000 1.310 1129 I CA -0.313 60.519 61.300 -0.780 0.000 1.288 1129 I CB 0.350 36.918 38.000 -2.387 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 -0.516 0.000 2.155 1130 K HA 0.568 4.888 4.320 -0.000 0.000 0.240 1130 K C 0.327 176.793 176.600 -0.223 0.000 1.193 1130 K CA 0.391 56.475 56.287 -0.339 0.000 1.104 1130 K CB 0.495 32.891 32.500 -0.172 0.000 1.558 1130 K HN 0.489 nan 8.250 nan 0.000 0.313 1131 A N 2.940 125.701 122.820 -0.098 0.000 2.195 1131 A HA 0.019 4.339 4.320 -0.000 0.000 0.212 1131 A C 1.346 178.990 177.584 0.101 0.000 2.368 1131 A CA 0.494 52.544 52.037 0.022 0.000 1.424 1131 A CB -0.475 18.574 19.000 0.081 0.000 1.095 1131 A HN 0.768 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 -0.080 4.560 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 1.953 56.080 54.000 0.212 0.000 0.850 1132 D CB -0.737 40.199 40.800 0.226 0.000 0.994 1132 D HN 0.564 nan 8.370 nan 0.000 0.450 1133 D N -3.545 117.069 120.400 0.356 0.000 2.912 1133 D HA 0.398 5.038 4.640 -0.000 0.000 0.263 1133 D C -3.030 173.532 176.300 0.436 0.000 1.152 1133 D CA -1.240 52.914 54.000 0.256 0.000 0.728 1133 D CB 1.585 42.489 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 -0.980 176.412 177.300 0.154 0.000 1.233 1134 P CA -0.612 62.604 63.100 0.193 0.000 0.836 1134 P CB 2.320 34.013 31.700 -0.013 0.000 1.369 1135 S N -2.389 113.376 115.700 0.108 0.000 2.680 1135 S HA 0.651 5.121 4.470 -0.000 0.000 0.276 1135 S C -1.307 173.285 174.600 -0.015 0.000 1.189 1135 S CA 0.206 58.443 58.200 0.062 0.000 0.909 1135 S CB 0.011 63.250 63.200 0.064 0.000 1.227 1135 S HN 0.801 nan 8.310 nan 0.000 0.501 1136 S N -1.026 114.606 115.700 -0.115 0.000 4.122 1136 S HA 0.113 4.583 4.470 -0.000 0.000 0.650 1136 S C -0.154 174.305 174.600 -0.234 0.000 1.049 1136 S CA 0.981 58.984 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 -1.414 118.927 120.300 0.069 0.000 2.831 1137 Y HA -0.429 4.120 4.550 -0.000 0.000 0.469 1137 Y C 1.660 177.585 175.900 0.042 0.000 1.152 1137 Y CA 1.994 60.141 58.100 0.079 0.000 2.680 1137 Y CB -1.971 36.563 38.460 0.124 0.000 1.183 1137 Y HN 0.832 nan 8.280 nan 0.000 0.623 1138 M N 0.860 120.708 119.600 0.414 0.000 2.116 1138 M HA -0.309 4.171 4.480 -0.000 0.000 0.255 1138 M C 2.200 178.546 176.300 0.076 0.000 1.075 1138 M CA 2.673 58.094 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 0.014 0.000 2.023 1139 E HA -0.212 4.138 4.350 -0.000 0.000 0.196 1139 E C 1.723 178.291 176.600 -0.052 0.000 1.003 1139 E CA 2.312 58.689 56.400 -0.038 0.000 0.809 1139 E CB -0.141 29.502 29.700 -0.096 0.000 0.755 1139 E HN 0.471 nan 8.360 nan 0.000 0.449 1140 V N 0.708 120.580 119.914 -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 1.500 63.746 62.300 -0.091 0.000 1.024 1140 V CB -0.483 31.276 31.823 -0.108 0.000 0.648 1140 V HN 0.215 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 2.564 178.649 176.094 -0.014 0.000 1.053 1141 V CA 2.637 64.936 62.300 -0.002 0.000 1.019 1141 V CB -0.908 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 0.183 119.983 119.800 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 2.663 58.466 55.803 0.000 0.000 0.853 1142 Q CB -0.734 28.011 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 -0.122 4.198 4.320 -0.000 0.000 0.220 1143 A C 1.451 178.944 177.584 -0.151 0.000 1.206 1143 A CA 1.897 53.878 52.037 -0.094 0.000 0.647 1143 A CB -1.189 17.752 19.000 -0.098 0.000 0.828 1143 A HN 0.535 nan 8.150 nan 0.000 0.455 1144 A N -0.470 122.244 122.820 -0.176 0.000 2.545 1144 A HA 0.480 4.800 4.320 -0.000 0.000 0.297 1144 A C 0.586 177.968 177.584 -0.336 0.000 1.340 1144 A CA 0.576 52.452 52.037 -0.269 0.000 1.016 1144 A CB -0.601 18.253 19.000 -0.243 0.000 1.122 1144 A HN 0.763 nan 8.150 nan 0.000 0.537 1145 N N 0.383 118.772 118.700 -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 -0.565 0.000 0.797 1145 N CA 1.020 53.706 53.050 -0.607 0.000 1.111 1145 N CB -0.521 37.923 38.487 -0.073 0.000 2.337 1145 N HN 0.571 nan 8.380 nan 0.000 1.254 1146 T N -0.820 113.583 114.554 -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 -0.175 0.000 1.040 1146 T CA 1.877 63.920 62.100 -0.094 0.000 1.147 1146 T CB -0.679 68.166 68.868 -0.039 0.000 0.865 1146 T HN 0.103 nan 8.240 nan 0.000 0.426 1147 S N 0.969 116.519 115.700 -0.250 0.000 2.571 1147 S HA 0.254 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 0.764 58.843 58.200 -0.203 0.000 0.954 1147 S CB -1.000 62.089 63.200 -0.185 0.000 0.756 1147 S HN 1.185 nan 8.310 nan 0.000 0.535 1148 G N 1.927 110.301 108.800 -0.710 0.000 2.160 1148 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.244 1148 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.244 1148 G C -0.232 174.284 174.900 -0.640 0.000 1.022 1148 G CA -0.244 44.296 45.100 -0.933 0.000 0.741 1148 G HN 0.482 nan 8.290 nan 0.000 0.508 1149 N N 0.992 119.212 118.700 -0.799 0.000 3.245 1149 N HA 0.260 5.000 4.740 -0.000 0.000 0.296 1149 N C 1.118 176.397 175.510 -0.384 0.000 1.254 1149 N CA -0.261 52.559 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 0.377 121.692 121.300 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 -0.149 57.216 57.345 0.033 0.000 1.671 1150 W CB -0.843 28.634 29.460 0.027 0.000 1.225 1150 W HN 0.344 nan 8.180 nan 0.000 0.501 1151 E N 0.754 121.153 120.200 0.333 0.000 2.271 1151 E HA -0.304 4.046 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 2.242 58.752 56.400 0.185 0.000 0.840 1151 E CB 0.096 29.883 29.700 0.145 0.000 0.738 1151 E HN 0.105 nan 8.360 nan 0.000 0.470 1152 E N -0.219 120.064 120.200 0.137 0.000 2.190 1152 E HA -0.034 4.316 4.350 -0.000 0.000 0.191 1152 E C 1.711 178.446 176.600 0.225 0.000 0.978 1152 E CA 0.421 56.910 56.400 0.148 0.000 0.839 1152 E CB -0.190 29.605 29.700 0.158 0.000 0.787 1152 E HN 0.282 nan 8.360 nan 0.000 0.473 1153 L N 0.609 121.930 121.223 0.164 0.000 1.989 1153 L HA -0.171 4.169 4.340 -0.000 0.000 0.211 1153 L C 1.960 178.926 176.870 0.160 0.000 1.071 1153 L CA 1.679 56.593 54.840 0.123 0.000 0.749 1153 L CB -0.691 41.371 42.059 0.006 0.000 0.890 1153 L HN 0.093 nan 8.230 nan 0.000 0.431 1154 V N -1.480 118.524 119.914 0.151 0.000 2.469 1154 V HA -0.278 3.842 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 2.235 64.610 62.300 0.125 0.000 1.066 1154 V CB -1.329 30.565 31.823 0.118 0.000 0.667 1154 V HN 0.527 nan 8.190 nan 0.000 0.461 1155 K N -1.043 119.407 120.400 0.084 0.000 2.167 1155 K HA -0.064 4.256 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 0.935 57.234 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 0.969 121.254 120.300 -0.025 0.000 2.315 1156 Y HA -0.199 4.351 4.550 -0.000 0.000 0.288 1156 Y C 1.597 177.473 175.900 -0.039 0.000 1.154 1156 Y CA 1.289 59.362 58.100 -0.045 0.000 1.229 1156 Y CB 0.110 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 -0.867 120.429 121.223 0.121 0.000 2.307 1157 L HA -0.116 4.224 4.340 -0.000 0.000 0.211 1157 L C 2.418 179.298 176.870 0.017 0.000 1.099 1157 L CA 0.804 55.683 54.840 0.065 0.000 0.816 1157 L CB -0.712 41.385 42.059 0.064 0.000 0.952 1157 L HN 0.145 nan 8.230 nan 0.000 0.455 1158 Q N 0.907 120.706 119.800 -0.002 0.000 2.242 1158 Q HA -0.268 4.072 4.340 -0.000 0.000 0.211 1158 Q C 1.379 177.358 176.000 -0.035 0.000 0.992 1158 Q CA 1.894 57.678 55.803 -0.031 0.000 0.889 1158 Q CB -0.017 28.693 28.738 -0.048 0.000 0.913 1158 Q HN 0.367 nan 8.270 nan 0.000 0.422 1159 M N -0.724 118.854 119.600 -0.037 0.000 2.631 1159 M HA 0.210 4.690 4.480 -0.000 0.000 0.241 1159 M C 0.626 176.917 176.300 -0.014 0.000 1.255 1159 M CA 0.254 55.532 55.300 -0.035 0.000 0.983 1159 M CB 0.724 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 0.091 52.124 52.037 -0.006 0.000 0.922 1160 A CB 0.253 19.251 19.000 -0.002 0.000 0.972 1160 A HN 0.304 nan 8.150 nan 0.000 0.475 1161 R N 1.129 121.618 120.500 -0.017 0.000 2.057 1161 R HA -0.116 4.224 4.340 -0.000 0.000 0.229 1161 R C 2.008 178.300 176.300 -0.013 0.000 1.136 1161 R CA 1.669 57.759 56.100 -0.016 0.000 0.952 1161 R CB -0.434 29.856 30.300 -0.016 0.000 0.848 1161 R HN 0.644 nan 8.270 nan 0.000 0.430 1162 K N 0.946 121.338 120.400 -0.014 0.000 2.189 1162 K HA -0.208 4.112 4.320 -0.000 0.000 0.207 1162 K C 1.266 177.863 176.600 -0.005 0.000 1.046 1162 K CA 1.931 58.212 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 -1.465 118.933 120.400 -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 0.219 177.779 177.584 -0.039 0.000 1.211 1164 A CA -0.301 51.729 52.037 -0.011 0.000 0.991 1164 A CB 0.024 19.019 19.000 -0.008 0.000 1.252 1164 A HN 0.144 nan 8.150 nan 0.000 0.593 1165 R N 2.064 122.546 120.500 -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 -0.032 0.000 0.851 1165 R CB -0.617 29.678 30.300 -0.008 0.000 1.039 1165 R HN 0.616 nan 8.270 nan 0.000 0.246 1166 E N 2.092 122.220 120.200 -0.120 0.000 2.447 1166 E HA 0.108 4.458 4.350 -0.000 0.000 0.279 1166 E C -0.603 175.848 176.600 -0.247 0.000 1.053 1166 E CA -0.191 56.094 56.400 -0.191 0.000 0.840 1166 E CB 0.990 30.487 29.700 -0.338 0.000 1.409 1166 E HN 0.351 nan 8.360 nan 0.000 0.461 1167 S N 0.300 115.892 115.700 -0.181 0.000 2.363 1167 S HA -0.235 4.235 4.470 -0.000 0.000 0.218 1167 S C 1.966 176.566 174.600 -0.001 0.000 1.035 1167 S CA 2.184 60.380 58.200 -0.008 0.000 1.043 1167 S CB -0.971 62.395 63.200 0.277 0.000 0.986 1167 S HN 0.558 nan 8.310 nan 0.000 0.423 1168 Y N 0.789 121.106 120.300 0.028 0.000 2.446 1168 Y HA 0.073 4.623 4.550 -0.000 0.000 0.287 1168 Y C 1.947 177.871 175.900 0.040 0.000 1.159 1168 Y CA 0.671 58.776 58.100 0.009 0.000 1.297 1168 Y CB -1.128 37.326 38.460 -0.011 0.000 0.974 1168 Y HN 0.158 nan 8.280 nan 0.000 0.557 1169 V N 0.158 119.825 119.914 -0.411 0.000 3.219 1169 V HA -0.037 4.083 4.120 -0.000 0.000 0.240 1169 V C 2.227 178.258 176.094 -0.106 0.000 1.222 1169 V CA 0.933 63.105 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 0.462 nan 8.190 nan 0.000 0.471 1170 E N 0.072 120.198 120.200 -0.124 0.000 2.099 1170 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 1170 E C 1.860 178.502 176.600 0.069 0.000 0.962 1170 E CA 1.414 57.809 56.400 -0.007 0.000 0.826 1170 E CB -0.428 29.269 29.700 -0.005 0.000 0.788 1170 E HN 0.366 nan 8.360 nan 0.000 0.461 1171 T N 0.820 115.404 114.554 0.051 0.000 2.946 1171 T HA -0.101 4.249 4.350 -0.000 0.000 0.271 1171 T C 1.213 176.007 174.700 0.158 0.000 1.104 1171 T CA 1.579 63.755 62.100 0.127 0.000 1.114 1171 T CB -0.105 68.843 68.868 0.133 0.000 0.867 1171 T HN 0.166 nan 8.240 nan 0.000 0.513 1172 E N 0.446 120.704 120.200 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 56.590 56.400 0.126 0.000 0.820 1172 E CB -0.417 29.318 29.700 0.058 0.000 0.770 1172 E HN 0.278 nan 8.360 nan 0.000 0.462 1173 L N 0.689 122.001 121.223 0.148 0.000 2.017 1173 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 1173 L C 1.848 178.865 176.870 0.244 0.000 1.073 1173 L CA 1.584 56.516 54.840 0.153 0.000 0.745 1173 L CB -0.495 41.621 42.059 0.095 0.000 0.894 1173 L HN 0.142 nan 8.230 nan 0.000 0.432 1174 I N -1.500 119.261 120.570 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 1.793 63.347 61.300 0.424 0.000 1.317 1174 I CB -0.666 37.503 38.000 0.281 0.000 1.037 1174 I HN 0.190 nan 8.210 nan 0.000 0.398 1175 F N 1.396 121.416 119.950 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 1.992 60.047 58.000 0.091 0.000 1.202 1175 F CB -0.678 38.372 39.000 0.084 0.000 0.965 1175 F HN 0.066 nan 8.300 nan 0.000 0.482 1176 A N 0.090 123.114 122.820 0.340 0.000 1.865 1176 A HA -0.196 4.124 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 1.956 54.147 52.037 0.256 0.000 0.623 1176 A CB -1.253 17.879 19.000 0.220 0.000 0.826 1176 A HN 0.443 nan 8.150 nan 0.000 0.444 1177 L N -0.775 120.567 121.223 0.197 0.000 2.013 1177 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 1177 L C 3.133 180.090 176.870 0.144 0.000 1.073 1177 L CA 1.216 56.160 54.840 0.175 0.000 0.753 1177 L CB -0.758 41.448 42.059 0.245 0.000 0.890 1177 L HN 0.476 nan 8.230 nan 0.000 0.432 1178 A N 1.118 124.012 122.820 0.123 0.000 1.940 1178 A HA -0.255 4.065 4.320 -0.000 0.000 0.221 1178 A C 1.936 179.501 177.584 -0.033 0.000 1.190 1178 A CA 2.353 54.389 52.037 -0.000 0.000 0.647 1178 A CB -0.573 18.345 19.000 -0.138 0.000 0.821 1178 A HN 0.620 nan 8.150 nan 0.000 0.457 1179 K N -1.483 118.910 120.400 -0.012 0.000 2.675 1179 K HA 0.340 4.660 4.320 -0.000 0.000 0.213 1179 K C 0.204 176.787 176.600 -0.028 0.000 1.074 1179 K CA 0.554 56.817 56.287 -0.041 0.000 1.172 1179 K CB 0.366 32.843 32.500 -0.038 0.000 0.927 1179 K HN 0.226 nan 8.250 nan 0.000 0.471 1180 T N -0.190 114.372 114.554 0.013 0.000 3.409 1180 T HA 0.064 4.414 4.350 -0.000 0.000 0.242 1180 T C -0.437 174.272 174.700 0.014 0.000 1.000 1180 T CA 0.107 62.230 62.100 0.037 0.000 1.180 1180 T CB 0.137 69.061 68.868 0.093 0.000 1.210 1180 T HN 0.522 nan 8.240 nan 0.000 0.373 1181 N N 0.204 118.918 118.700 0.022 0.000 2.853 1181 N HA 0.521 5.261 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 -0.890 52.165 53.050 0.008 0.000 0.837 1181 N CB 1.645 40.134 38.487 0.003 0.000 1.489 1181 N HN 0.084 nan 8.380 nan 0.000 0.529 1182 R N -1.396 119.109 120.500 0.008 0.000 2.725 1182 R HA 0.200 4.540 4.340 -0.000 0.000 0.207 1182 R C 1.363 177.668 176.300 0.008 0.000 0.924 1182 R CA -0.310 55.800 56.100 0.017 0.000 1.098 1182 R CB -0.321 29.981 30.300 0.003 0.000 1.602 1182 R HN 0.302 nan 8.270 nan 0.000 0.615 1183 L N 1.646 122.866 121.223 -0.005 0.000 1.963 1183 L HA -0.108 4.232 4.340 -0.000 0.000 0.220 1183 L C 1.713 178.573 176.870 -0.016 0.000 1.076 1183 L CA 2.567 57.400 54.840 -0.011 0.000 0.772 1183 L CB -0.456 41.594 42.059 -0.016 0.000 0.892 1183 L HN 0.203 nan 8.230 nan 0.000 0.435 1184 A N -1.742 121.059 122.820 -0.033 0.000 2.379 1184 A HA 0.090 4.410 4.320 -0.000 0.000 0.236 1184 A C 1.683 179.217 177.584 -0.084 0.000 1.272 1184 A CA 0.140 52.147 52.037 -0.050 0.000 0.886 1184 A CB -0.695 18.269 19.000 -0.061 0.000 0.962 1184 A HN 0.567 nan 8.150 nan 0.000 0.504 1185 E N 0.194 120.360 120.200 -0.056 0.000 2.335 1185 E HA 0.208 4.558 4.350 -0.000 0.000 0.191 1185 E C 0.032 176.705 176.600 0.122 0.000 1.150 1185 E CA 0.197 56.559 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 -0.431 120.836 121.223 0.074 0.000 3.902 1186 L HA 0.157 4.497 4.340 -0.000 0.000 0.375 1186 L C 0.931 177.845 176.870 0.073 0.000 1.252 1186 L CA -0.041 54.890 54.840 0.153 0.000 1.221 1186 L CB 0.601 42.717 42.059 0.095 0.000 1.484 1186 L HN -0.020 nan 8.230 nan 0.000 0.620 1187 E N 0.613 120.820 120.200 0.012 0.000 2.372 1187 E HA -0.053 4.297 4.350 -0.000 0.000 0.201 1187 E C 1.627 178.219 176.600 -0.014 0.000 0.938 1187 E CA 0.667 57.065 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 0.236 nan 8.360 nan 0.000 0.495 1188 E N -1.056 119.105 120.200 -0.064 0.000 2.431 1188 E HA 0.110 4.460 4.350 -0.000 0.000 0.200 1188 E C 0.417 177.001 176.600 -0.026 0.000 0.995 1188 E CA 0.057 56.409 56.400 -0.080 0.000 0.915 1188 E CB -0.240 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 4.629 4.527 -0.000 0.000 0.297 1189 F C 1.681 177.476 175.800 -0.008 0.000 1.200 1189 F CA 0.578 58.574 58.000 -0.008 0.000 1.468 1189 F CB -0.085 38.906 39.000 -0.015 0.000 1.116 1189 F HN 0.162 nan 8.300 nan 0.000 0.599 1190 I N -1.557 119.103 120.570 0.150 0.000 4.456 1190 I HA -0.004 4.166 4.170 -0.000 0.000 0.329 1190 I C 1.274 177.424 176.117 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 0.539 119.265 118.700 0.044 0.000 2.646 1191 N HA 0.142 4.882 4.740 -0.000 0.000 0.214 1191 N C 1.262 176.787 175.510 0.025 0.000 1.042 1191 N CA 0.662 53.727 53.050 0.024 0.000 0.925 1191 N CB 0.072 38.563 38.487 0.006 0.000 1.383 1191 N HN 0.197 nan 8.380 nan 0.000 0.439 1192 G N 2.304 111.117 108.800 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 -0.828 44.284 45.100 0.020 0.000 1.248 1192 G HN 0.192 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 0.202 63.381 63.100 0.132 0.000 1.100 1193 P CB 1.089 32.897 31.700 0.179 0.000 0.786 1194 N N 1.476 120.219 118.700 0.071 0.000 1.075 1194 N HA -0.314 4.426 4.740 -0.000 0.000 0.133 1194 N C 0.015 175.559 175.510 0.057 0.000 0.564 1194 N CA 1.746 54.828 53.050 0.053 0.000 0.891 1194 N CB -2.936 35.576 38.487 0.041 0.000 1.364 1194 N HN 0.337 nan 8.380 nan 0.000 0.547 1195 N N 2.322 121.051 118.700 0.048 0.000 2.292 1195 N HA 0.349 5.089 4.740 -0.000 0.000 0.258 1195 N C -0.381 175.167 175.510 0.063 0.000 1.261 1195 N CA 0.614 53.696 53.050 0.052 0.000 0.845 1195 N CB 0.450 38.962 38.487 0.041 0.000 1.064 1195 N HN 0.970 nan 8.380 nan 0.000 0.471 1196 A N 0.704 123.575 122.820 0.085 0.000 2.452 1196 A HA 0.308 4.628 4.320 -0.000 0.000 0.294 1196 A C -1.643 176.039 177.584 0.163 0.000 1.010 1196 A CA -0.907 51.199 52.037 0.116 0.000 0.613 1196 A CB 0.175 19.237 19.000 0.103 0.000 1.363 1196 A HN 0.921 nan 8.150 nan 0.000 0.463 1197 H N 1.185 120.305 119.070 0.084 0.000 3.004 1197 H HA 0.418 4.974 4.556 -0.000 0.000 0.267 1197 H C 1.026 176.387 175.328 0.055 0.000 1.165 1197 H CA -0.206 55.881 56.048 0.064 0.000 1.450 1197 H CB 0.175 29.975 29.762 0.063 0.000 1.488 1197 H HN 0.488 nan 8.280 nan 0.000 0.478 1198 I N 1.974 122.684 120.570 0.233 0.000 3.334 1198 I HA -0.146 4.024 4.170 -0.000 0.000 0.282 1198 I C 1.434 177.566 176.117 0.025 0.000 1.313 1198 I CA 0.087 61.447 61.300 0.099 0.000 1.396 1198 I CB -0.162 37.881 38.000 0.071 0.000 1.054 1198 I HN 0.580 nan 8.210 nan 0.000 0.495 1199 Q N 1.389 121.149 119.800 -0.067 0.000 2.008 1199 Q HA -0.122 4.218 4.340 -0.000 0.000 0.196 1199 Q C 2.161 178.058 176.000 -0.171 0.000 0.973 1199 Q CA 1.442 57.130 55.803 -0.191 0.000 0.826 1199 Q CB -0.417 28.087 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 -0.093 4.247 4.340 -0.000 0.000 0.208 1200 Q C 2.118 178.215 176.000 0.161 0.000 0.981 1200 Q CA 0.750 56.574 55.803 0.034 0.000 0.876 1200 Q CB -0.344 28.440 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 64.511 62.300 0.052 0.000 0.998 1201 V CB -1.439 30.394 31.823 0.017 0.000 0.633 1201 V HN 0.555 nan 8.190 nan 0.000 0.446 1202 G N -0.182 108.652 108.800 0.057 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 1.352 46.524 45.100 0.121 0.000 0.767 1202 G HN 0.565 nan 8.290 nan 0.000 0.571 1203 D N 0.287 120.731 120.400 0.074 0.000 2.084 1203 D HA -0.096 4.544 4.640 -0.000 0.000 0.194 1203 D C 2.507 178.869 176.300 0.102 0.000 0.990 1203 D CA 1.156 55.218 54.000 0.104 0.000 0.826 1203 D CB -0.318 40.536 40.800 0.090 0.000 0.971 1203 D HN 0.195 nan 8.370 nan 0.000 0.453 1204 R N 0.795 121.305 120.500 0.017 0.000 2.081 1204 R HA -0.044 4.296 4.340 -0.000 0.000 0.235 1204 R C 2.183 178.388 176.300 -0.158 0.000 1.131 1204 R CA 1.190 57.162 56.100 -0.213 0.000 0.960 1204 R CB -1.035 28.885 30.300 -0.633 0.000 0.856 1204 R HN 0.207 nan 8.270 nan 0.000 0.436 1205 C N -0.411 118.837 119.300 -0.086 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 -1.242 26.435 27.740 -0.104 0.000 1.989 1205 C HN 0.556 nan 8.230 nan 0.000 0.491 1206 Y N 1.952 122.211 120.300 -0.069 0.000 2.373 1206 Y HA -0.095 4.455 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 2.029 60.109 58.100 -0.034 0.000 1.226 1206 Y CB -0.435 38.030 38.460 0.007 0.000 1.000 1206 Y HN 0.419 nan 8.280 nan 0.000 0.549 1207 D N -0.331 120.033 120.400 -0.060 0.000 2.249 1207 D HA -0.095 4.545 4.640 -0.000 0.000 0.205 1207 D C 0.112 176.309 176.300 -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 0.147 120.249 120.200 -0.163 0.000 2.593 1208 E HA 0.198 4.548 4.350 -0.000 0.000 0.232 1208 E C -1.347 175.173 176.600 -0.135 0.000 1.026 1208 E CA -0.735 55.574 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 2.190 122.509 120.400 -0.135 0.000 2.349 1209 K HA 0.504 4.824 4.320 -0.000 0.000 0.288 1209 K C -0.268 176.290 176.600 -0.069 0.000 1.058 1209 K CA -0.437 55.788 56.287 -0.104 0.000 0.953 1209 K CB 0.799 33.231 32.500 -0.113 0.000 0.997 1209 K HN 0.235 nan 8.250 nan 0.000 0.477 1210 M N 4.063 123.626 119.600 -0.062 0.000 2.206 1210 M HA 0.221 4.701 4.480 -0.000 0.000 0.272 1210 M C -1.302 174.972 176.300 -0.044 0.000 1.012 1210 M CA -0.816 54.458 55.300 -0.043 0.000 0.986 1210 M CB 1.312 33.878 32.600 -0.058 0.000 1.740 1210 M HN 0.651 nan 8.290 nan 0.000 0.472 1211 Y N 2.173 122.401 120.300 -0.120 0.000 2.509 1211 Y HA 0.011 4.561 4.550 -0.000 0.000 0.293 1211 Y C 0.620 176.445 175.900 -0.125 0.000 1.133 1211 Y CA 2.069 60.091 58.100 -0.129 0.000 1.283 1211 Y CB 0.110 38.508 38.460 -0.103 0.000 1.001 1211 Y HN 0.806 nan 8.280 nan 0.000 0.555 1212 D N -0.370 119.940 120.400 -0.150 0.000 2.392 1212 D HA -0.028 4.612 4.640 -0.000 0.000 0.228 1212 D C 1.414 177.573 176.300 -0.236 0.000 1.003 1212 D CA 1.041 54.938 54.000 -0.171 0.000 0.917 1212 D CB 0.030 40.786 40.800 -0.072 0.000 0.890 1212 D HN 0.359 nan 8.370 nan 0.000 0.532 1213 A N -0.126 122.507 122.820 -0.311 0.000 2.628 1213 A HA 0.596 4.916 4.320 -0.000 0.000 0.267 1213 A C 1.569 178.902 177.584 -0.419 0.000 1.159 1213 A CA 0.070 51.932 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 0.132 nan 8.150 nan 0.000 0.576 1214 A N 0.025 122.469 122.820 -0.628 0.000 2.276 1214 A HA 0.243 4.563 4.320 -0.000 0.000 0.212 1214 A C 1.692 178.858 177.584 -0.698 0.000 1.230 1214 A CA 1.286 52.766 52.037 -0.927 0.000 0.844 1214 A CB -0.176 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 -1.150 119.018 120.400 -0.388 0.000 2.642 1215 K HA 0.119 4.439 4.320 -0.000 0.000 0.214 1215 K C 1.205 177.760 176.600 -0.075 0.000 1.451 1215 K CA 0.352 56.559 56.287 -0.134 0.000 0.917 1215 K CB -0.823 31.576 32.500 -0.169 0.000 1.779 1215 K HN 0.234 nan 8.250 nan 0.000 0.447 1216 L N 2.238 123.389 121.223 -0.119 0.000 2.661 1216 L HA -0.024 4.316 4.340 -0.000 0.000 0.236 1216 L C 1.562 178.405 176.870 -0.045 0.000 1.176 1216 L CA 0.992 55.793 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 -3.434 117.757 121.223 -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 0.341 55.172 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 1.977 177.809 175.900 -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 -0.188 175.355 175.510 0.054 0.000 1.144 1219 N CA 0.223 53.330 53.050 0.095 0.000 0.830 1219 N CB -0.199 38.338 38.487 0.084 0.000 1.034 1219 N HN 0.123 nan 8.380 nan 0.000 0.484 1220 N N -1.104 117.616 118.700 0.034 0.000 2.073 1220 N HA 0.102 4.842 4.740 -0.000 0.000 0.227 1220 N C -1.098 174.412 175.510 -0.000 0.000 1.367 1220 N CA 0.094 53.156 53.050 0.020 0.000 0.775 1220 N CB 1.265 39.765 38.487 0.021 0.000 1.234 1220 N HN -0.023 nan 8.380 nan 0.000 0.512 1221 V N -0.386 119.507 119.914 -0.035 0.000 3.157 1221 V HA 0.553 4.673 4.120 -0.000 0.000 0.312 1221 V C -0.484 175.460 176.094 -0.250 0.000 1.502 1221 V CA -0.178 62.062 62.300 -0.102 0.000 0.997 1221 V CB 1.541 33.325 31.823 -0.065 0.000 1.053 1221 V HN 0.268 nan 8.190 nan 0.000 0.482 1222 S N -0.175 115.277 115.700 -0.414 0.000 3.565 1222 S HA 0.424 4.894 4.470 -0.000 0.000 0.242 1222 S C 0.039 173.930 174.600 -1.182 0.000 1.023 1222 S CA 0.589 58.441 58.200 -0.580 0.000 1.300 1222 S CB 0.672 63.689 63.200 -0.305 0.000 1.198 1222 S HN 1.045 nan 8.310 nan 0.000 0.697 1223 N N 0.190 118.378 118.700 -0.853 0.000 2.716 1223 N HA -0.131 4.609 4.740 -0.000 0.000 0.250 1223 N C -0.213 174.947 175.510 -0.583 0.000 1.033 1223 N CA 0.843 53.372 53.050 -0.869 0.000 0.727 1223 N CB -1.631 36.374 38.487 -0.803 0.000 0.950 1223 N HN 0.458 nan 8.380 nan 0.000 0.541 1224 F N -0.790 119.028 119.950 -0.220 0.000 2.147 1224 F HA 0.197 4.724 4.527 -0.000 0.000 0.291 1224 F C 2.558 178.371 175.800 0.022 0.000 1.093 1224 F CA 1.354 59.343 58.000 -0.017 0.000 1.263 1224 F CB -0.702 38.275 39.000 -0.037 0.000 1.036 1224 F HN 0.265 nan 8.300 nan 0.000 0.481 1225 G N -0.775 108.103 108.800 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 1.491 176.403 174.900 0.019 0.000 1.135 1225 G CA 0.307 45.412 45.100 0.009 0.000 0.767 1225 G HN 0.038 nan 8.290 nan 0.000 0.550 1226 R N -0.118 120.347 120.500 -0.059 0.000 2.391 1226 R HA 0.346 4.686 4.340 -0.000 0.000 0.225 1226 R C 1.586 178.068 176.300 0.303 0.000 1.079 1226 R CA 0.039 55.995 56.100 -0.239 0.000 1.147 1226 R CB -0.500 29.396 30.300 -0.673 0.000 1.103 1226 R HN 0.530 nan 8.270 nan 0.000 0.499 1227 L N -3.104 118.310 121.223 0.318 0.000 2.758 1227 L HA 0.446 4.786 4.340 -0.000 0.000 0.234 1227 L C 0.991 178.008 176.870 0.244 0.000 1.049 1227 L CA 0.317 55.375 54.840 0.364 0.000 0.908 1227 L CB 0.121 42.498 42.059 0.530 0.000 1.362 1227 L HN 0.016 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 0.674 52.708 52.037 -0.004 0.000 0.898 1228 A CB -0.242 18.650 19.000 -0.179 0.000 0.956 1228 A HN 0.492 nan 8.150 nan 0.000 0.497 1229 S N -1.755 114.009 115.700 0.107 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 0.071 0.000 1.098 1229 S CA 0.099 58.370 58.200 0.119 0.000 0.954 1229 S CB 0.083 63.393 63.200 0.184 0.000 1.222 1229 S HN 0.351 nan 8.310 nan 0.000 0.585 1230 T N 4.832 119.429 114.554 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 -1.403 67.049 68.868 -0.693 0.000 0.889 1230 T HN 0.501 nan 8.240 nan 0.000 0.565 1231 L N 1.598 122.780 121.223 -0.069 0.000 4.310 1231 L HA 0.331 4.671 4.340 -0.000 0.000 0.204 1231 L C -1.247 175.606 176.870 -0.030 0.000 1.040 1231 L CA -0.941 53.874 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 0.261 nan 8.230 nan 0.000 0.328 1232 V N -0.867 119.042 119.914 -0.008 0.000 3.119 1232 V HA 0.683 4.803 4.120 -0.000 0.000 0.309 1232 V C 0.878 177.016 176.094 0.074 0.000 1.304 1232 V CA 0.716 63.019 62.300 0.006 0.000 1.057 1232 V CB 1.590 33.413 31.823 -0.001 0.000 1.150 1232 V HN 1.873 nan 8.190 nan 0.000 0.474 1233 H N -0.466 118.569 119.070 -0.057 0.000 3.641 1233 H HA -0.149 4.407 4.556 -0.000 0.000 0.193 1233 H C 0.275 175.546 175.328 -0.094 0.000 1.013 1233 H CA 1.326 57.348 56.048 -0.042 0.000 1.212 1233 H CB -1.019 28.718 29.762 -0.041 0.000 1.089 1233 H HN 1.284 nan 8.280 nan 0.000 0.339 1234 L N -1.148 120.078 121.223 0.006 0.000 7.603 1234 L HA -0.203 4.137 4.340 -0.000 0.000 0.092 1234 L C 1.572 178.220 176.870 -0.371 0.000 1.252 1234 L CA 2.896 57.665 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 -0.760 107.673 108.800 -0.613 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 -0.680 0.000 1.170 1235 G CA 1.124 45.235 45.100 -1.650 0.000 0.769 1235 G HN 0.983 nan 8.290 nan 0.000 0.546 1236 E N -2.568 117.482 120.200 -0.251 0.000 4.501 1236 E HA -0.284 4.066 4.350 -0.000 0.000 0.213 1236 E C 0.173 176.822 176.600 0.082 0.000 1.388 1236 E CA 0.724 57.134 56.400 0.016 0.000 2.220 1236 E CB -1.019 28.721 29.700 0.067 0.000 2.029 1236 E HN 0.156 nan 8.360 nan 0.000 0.523 1237 Y N 0.995 121.310 120.300 0.025 0.000 2.488 1237 Y HA 0.207 4.757 4.550 -0.000 0.000 0.319 1237 Y C 0.973 176.908 175.900 0.058 0.000 1.212 1237 Y CA 0.891 59.015 58.100 0.040 0.000 1.273 1237 Y CB -0.004 38.475 38.460 0.033 0.000 1.074 1237 Y HN 0.290 nan 8.280 nan 0.000 0.503 1238 Q N 0.038 119.803 119.800 -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 0.756 29.560 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 1.401 179.011 177.584 0.044 0.000 1.199 1239 A CA 0.577 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 0.237 nan 8.150 nan 0.000 0.559 1240 A N -0.335 122.480 122.820 -0.008 0.000 1.920 1240 A HA 0.268 4.588 4.320 -0.000 0.000 0.209 1240 A C 1.619 179.320 177.584 0.195 0.000 1.229 1240 A CA 1.238 53.224 52.037 -0.085 0.000 0.671 1240 A CB -0.585 18.302 19.000 -0.189 0.000 0.886 1240 A HN 0.440 nan 8.150 nan 0.000 0.461 1241 V N 1.041 121.052 119.914 0.162 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 0.127 0.000 1.178 1241 V CA 1.985 64.385 62.300 0.167 0.000 1.177 1241 V CB -0.802 31.032 31.823 0.017 0.000 0.793 1241 V HN 0.510 nan 8.190 nan 0.000 0.536 1242 D N -1.617 118.858 120.400 0.124 0.000 2.567 1242 D HA 0.186 4.826 4.640 -0.000 0.000 0.268 1242 D C 1.225 177.531 176.300 0.011 0.000 1.448 1242 D CA 0.844 54.886 54.000 0.070 0.000 0.811 1242 D CB 1.244 42.098 40.800 0.089 0.000 1.192 1242 D HN 0.406 nan 8.370 nan 0.000 0.488 1243 G N 0.794 109.653 108.800 0.099 0.000 2.534 1243 G HA2 0.270 4.230 3.960 -0.000 0.000 0.220 1243 G HA3 0.270 4.230 3.960 -0.000 0.000 0.220 1243 G C 1.316 176.363 174.900 0.244 0.000 1.699 1243 G CA 0.626 45.771 45.100 0.075 0.000 0.769 1243 G HN 0.132 nan 8.290 nan 0.000 0.632 1244 A N 0.656 123.821 122.820 0.574 0.000 2.259 1244 A HA 0.055 4.375 4.320 -0.000 0.000 0.212 1244 A C 2.170 179.874 177.584 0.201 0.000 1.178 1244 A CA 1.546 53.854 52.037 0.452 0.000 0.734 1244 A CB -0.504 18.697 19.000 0.335 0.000 0.774 1244 A HN 0.407 nan 8.150 nan 0.000 0.481 1245 R N 0.782 121.393 120.500 0.186 0.000 2.091 1245 R HA -0.163 4.177 4.340 -0.000 0.000 0.238 1245 R C 1.024 177.317 176.300 -0.012 0.000 1.136 1245 R CA 1.995 58.118 56.100 0.039 0.000 0.959 1245 R CB -0.262 30.057 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 0.328 176.916 176.600 -0.020 0.000 1.023 1246 K CA 0.462 56.720 56.287 -0.049 0.000 1.094 1246 K CB 0.565 33.001 32.500 -0.106 0.000 0.841 1246 K HN 0.290 nan 8.250 nan 0.000 0.523 1247 A N 2.146 124.969 122.820 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 0.380 52.417 52.037 -0.000 0.000 0.745 1247 A CB -1.991 16.979 19.000 -0.049 0.000 1.173 1247 A HN 0.510 nan 8.150 nan 0.000 0.322 1248 N N 0.353 119.134 118.700 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 0.390 53.520 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 0.365 116.126 115.700 0.102 0.000 2.546 1249 S HA 0.014 4.484 4.470 -0.000 0.000 0.290 1249 S C -0.039 174.627 174.600 0.111 0.000 1.262 1249 S CA -0.343 57.899 58.200 0.070 0.000 1.083 1249 S CB -0.759 62.468 63.200 0.045 0.000 0.859 1249 S HN 0.585 nan 8.310 nan 0.000 0.495 1250 T N 4.040 118.627 114.554 0.056 0.000 2.830 1250 T HA 0.089 4.439 4.350 -0.000 0.000 0.282 1250 T C 0.068 174.829 174.700 0.102 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 1.129 121.747 120.500 0.197 0.000 5.633 1251 R HA -0.069 4.271 4.340 -0.000 0.000 0.192 1251 R C 1.164 177.501 176.300 0.062 0.000 0.824 1251 R CA 1.037 57.206 56.100 0.116 0.000 1.147 1251 R CB -2.048 28.284 30.300 0.054 0.000 1.364 1251 R HN 2.010 nan 8.270 nan 0.000 0.599 1252 T N -4.773 109.759 114.554 -0.038 0.000 8.650 1252 T HA -0.275 4.075 4.350 -0.000 0.000 0.321 1252 T C 0.939 175.472 174.700 -0.279 0.000 2.013 1252 T CA 2.262 64.251 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 2.385 178.777 176.519 -0.212 0.000 1.192 1253 W CA 0.506 57.776 57.345 -0.125 0.000 1.410 1253 W CB 0.038 29.323 29.460 -0.292 0.000 1.075 1253 W HN 0.175 nan 8.180 nan 0.000 0.581 1254 K N 0.963 121.338 120.400 -0.041 0.000 2.589 1254 K HA -0.170 4.150 4.320 -0.000 0.000 0.195 1254 K C 0.978 177.881 176.600 0.505 0.000 1.042 1254 K CA 1.205 57.538 56.287 0.077 0.000 0.940 1254 K CB -0.079 32.434 32.500 0.021 0.000 0.776 1254 K HN 0.447 nan 8.250 nan 0.000 0.487 1255 E N -0.484 120.011 120.200 0.493 0.000 2.290 1255 E HA -0.034 4.316 4.350 -0.000 0.000 0.195 1255 E C 1.966 178.892 176.600 0.543 0.000 0.938 1255 E CA 0.144 56.834 56.400 0.484 0.000 1.018 1255 E CB 0.037 29.875 29.700 0.230 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 2.551 178.796 176.094 0.252 0.000 1.058 1256 V CA 2.116 64.572 62.300 0.260 0.000 1.022 1256 V CB -0.601 31.328 31.823 0.176 0.000 0.640 1256 V HN 0.555 nan 8.190 nan 0.000 0.445 1257 C N -0.350 119.214 119.300 0.439 0.000 2.448 1257 C HA -0.059 4.401 4.460 -0.000 0.000 0.280 1257 C C 2.560 177.457 174.990 -0.154 0.000 1.398 1257 C CA 0.286 59.447 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 -0.518 0.000 2.014 1258 F HA 0.065 4.592 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 59.629 58.000 -0.526 0.000 1.178 1258 F CB -1.214 37.690 39.000 -0.161 0.000 0.972 1258 F HN 0.127 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 2.069 179.413 177.584 -0.400 0.000 1.183 1259 A CA 1.516 53.118 52.037 -0.724 0.000 0.719 1259 A CB -1.819 17.021 19.000 -0.266 0.000 0.771 1259 A HN 0.643 nan 8.150 nan 0.000 0.484 1260 C N -1.933 117.211 119.300 -0.261 0.000 2.611 1260 C HA 0.027 4.487 4.460 -0.000 0.000 0.283 1260 C C 2.599 177.484 174.990 -0.176 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 2.672 122.463 119.914 -0.206 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 2.799 64.806 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 0.538 nan 8.370 nan 0.000 0.456 1263 G N -1.258 107.376 108.800 -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 -1.099 173.631 174.900 -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 1.353 121.522 120.400 -0.384 0.000 4.522 1264 K HA -0.124 4.196 4.320 -0.000 0.000 0.478 1264 K C -0.033 176.275 176.600 -0.486 0.000 1.162 1264 K CA 0.384 56.328 56.287 -0.573 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 2.530 122.408 120.200 -0.537 0.000 2.303 1265 E HA 0.004 4.354 4.350 -0.000 0.000 0.211 1265 E C 0.170 176.661 176.600 -0.182 0.000 1.223 1265 E CA -0.238 55.985 56.400 -0.294 0.000 1.344 1265 E CB -0.035 29.526 29.700 -0.231 0.000 1.299 1265 E HN 0.370 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 0.147 4.674 4.527 -0.000 0.000 0.298 1266 F C 1.194 176.976 175.800 -0.029 0.000 1.137 1266 F CA 0.024 58.000 58.000 -0.040 0.000 1.444 1266 F CB -0.084 38.888 39.000 -0.047 0.000 1.111 1266 F HN 0.014 nan 8.300 nan 0.000 0.580 1267 R N -0.073 120.510 120.500 0.137 0.000 3.527 1267 R HA -0.169 4.171 4.340 -0.000 0.000 0.288 1267 R C 0.334 176.708 176.300 0.122 0.000 1.146 1267 R CA -0.039 56.130 56.100 0.114 0.000 0.778 1267 R CB -1.870 28.477 30.300 0.078 0.000 1.289 1267 R HN 0.306 nan 8.270 nan 0.000 0.454 1268 L N -0.856 120.463 121.223 0.160 0.000 2.650 1268 L HA 0.097 4.437 4.340 -0.000 0.000 0.235 1268 L C 1.479 178.448 176.870 0.165 0.000 1.149 1268 L CA 0.969 55.900 54.840 0.152 0.000 0.887 1268 L CB 0.234 42.413 42.059 0.200 0.000 1.021 1268 L HN 0.382 nan 8.230 nan 0.000 0.441 1269 A N -1.386 121.535 122.820 0.169 0.000 2.676 1269 A HA 0.263 4.583 4.320 -0.000 0.000 0.297 1269 A C 1.197 178.817 177.584 0.059 0.000 1.132 1269 A CA -0.228 51.914 52.037 0.176 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 -1.707 118.134 119.800 0.068 0.000 2.342 1270 Q HA 0.272 4.612 4.340 -0.000 0.000 0.261 1270 Q C 1.518 177.574 176.000 0.094 0.000 0.841 1270 Q CA 0.634 56.449 55.803 0.020 0.000 0.969 1270 Q CB 0.152 28.887 28.738 -0.005 0.000 1.136 1270 Q HN 0.606 nan 8.270 nan 0.000 0.528 1271 M N -0.342 119.338 119.600 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 1.009 56.424 55.300 0.193 0.000 1.153 1271 M CB -0.334 32.392 32.600 0.209 0.000 1.356 1271 M HN 0.259 nan 8.290 nan 0.000 0.432 1272 C N 0.506 119.964 119.300 0.264 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 0.475 59.651 59.018 0.263 0.000 1.765 1272 C CB -2.148 25.728 27.740 0.227 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 1.140 176.130 174.900 0.150 0.000 1.310 1273 G CA 0.896 46.141 45.100 0.243 0.000 0.849 1273 G HN 0.409 nan 8.290 nan 0.000 0.568 1274 L N 0.709 122.009 121.223 0.127 0.000 2.351 1274 L HA -0.055 4.285 4.340 -0.000 0.000 0.220 1274 L C 2.392 179.272 176.870 0.016 0.000 1.127 1274 L CA 1.131 56.001 54.840 0.049 0.000 0.786 1274 L CB -0.981 41.091 42.059 0.022 0.000 0.914 1274 L HN 0.313 nan 8.230 nan 0.000 0.443 1275 H N 1.026 120.086 119.070 -0.016 0.000 2.261 1275 H HA -0.094 4.462 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 2.335 58.356 56.048 -0.044 0.000 1.297 1275 H CB -0.064 29.738 29.762 0.067 0.000 1.377 1275 H HN 0.452 nan 8.280 nan 0.000 0.492 1276 I N 0.492 120.962 120.570 -0.167 0.000 2.493 1276 I HA -0.137 4.033 4.170 -0.000 0.000 0.254 1276 I C 2.458 178.207 176.117 -0.613 0.000 1.160 1276 I CA 1.312 62.042 61.300 -0.949 0.000 1.445 1276 I CB -0.579 36.778 38.000 -1.070 0.000 1.086 1276 I HN 0.096 nan 8.210 nan 0.000 0.433 1277 V N 0.487 120.257 119.914 -0.239 0.000 2.223 1277 V HA -0.146 3.974 4.120 -0.000 0.000 0.244 1277 V C 1.817 177.958 176.094 0.079 0.000 1.045 1277 V CA 1.019 63.334 62.300 0.025 0.000 1.000 1277 V CB -1.709 30.125 31.823 0.018 0.000 0.635 1277 V HN 0.268 nan 8.190 nan 0.000 0.445 1278 V N 4.821 124.672 119.914 -0.106 0.000 5.596 1278 V HA -0.194 3.926 4.120 -0.000 0.000 0.121 1278 V C 0.396 176.446 176.094 -0.074 0.000 0.747 1278 V CA 1.749 63.972 62.300 -0.127 0.000 0.524 1278 V CB -2.595 29.153 31.823 -0.125 0.000 0.164 1278 V HN 1.119 nan 8.190 nan 0.000 0.310 1279 H N 0.430 119.437 119.070 -0.103 0.000 2.930 1279 H HA 0.781 5.337 4.556 -0.000 0.000 0.371 1279 H C 0.211 175.487 175.328 -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 0.133 nan 8.280 nan 0.000 0.547 1280 A N 1.606 124.383 122.820 -0.072 0.000 1.909 1280 A HA -0.071 4.249 4.320 -0.000 0.000 0.209 1280 A C 1.471 178.739 177.584 -0.526 0.000 1.247 1280 A CA 1.136 53.020 52.037 -0.256 0.000 0.660 1280 A CB -0.295 18.595 19.000 -0.184 0.000 0.910 1280 A HN 0.696 nan 8.150 nan 0.000 0.465 1281 D N -0.326 119.920 120.400 -0.256 0.000 2.339 1281 D HA 0.106 4.746 4.640 -0.000 0.000 0.217 1281 D C 0.699 176.956 176.300 -0.070 0.000 1.050 1281 D CA 0.127 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 0.405 nan 8.370 nan 0.000 0.518 1282 E N -0.540 119.709 120.200 0.082 0.000 3.188 1282 E HA 0.446 4.796 4.350 -0.000 0.000 0.262 1282 E C 0.289 177.015 176.600 0.210 0.000 1.341 1282 E CA -0.347 56.056 56.400 0.005 0.000 1.140 1282 E CB 0.439 29.841 29.700 -0.497 0.000 1.306 1282 E HN -0.088 nan 8.360 nan 0.000 0.694 1283 L N -0.599 120.463 121.223 -0.268 0.000 2.123 1283 L HA -0.128 4.212 4.340 -0.000 0.000 0.482 1283 L C 0.801 177.709 176.870 0.064 0.000 0.760 1283 L CA 0.985 55.955 54.840 0.217 0.000 2.423 1283 L CB -1.497 40.892 42.059 0.550 0.000 1.140 1283 L HN 0.656 nan 8.230 nan 0.000 0.553 1284 E N 0.552 120.735 120.200 -0.029 0.000 2.132 1284 E HA -0.014 4.336 4.350 -0.000 0.000 0.193 1284 E C 1.577 178.161 176.600 -0.028 0.000 0.951 1284 E CA 1.120 57.518 56.400 -0.002 0.000 0.843 1284 E CB 0.345 30.042 29.700 -0.006 0.000 0.807 1284 E HN 0.618 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 1.684 178.221 176.600 -0.106 0.000 0.995 1285 E CA 0.259 56.600 56.400 -0.098 0.000 0.836 1285 E CB 0.029 29.641 29.700 -0.148 0.000 0.763 1285 E HN 0.075 nan 8.360 nan 0.000 0.491 1286 L N 1.345 122.489 121.223 -0.131 0.000 2.693 1286 L HA 0.067 4.407 4.340 -0.000 0.000 0.242 1286 L C 0.339 177.250 176.870 0.068 0.000 1.157 1286 L CA 0.503 55.283 54.840 -0.099 0.000 0.929 1286 L CB 0.133 42.132 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 0.484 4.654 4.170 -0.000 0.000 0.333 1287 I C -0.060 176.165 176.117 0.180 0.000 1.489 1287 I CA 0.036 61.444 61.300 0.179 0.000 0.906 1287 I CB -0.371 37.726 38.000 0.161 0.000 1.702 1287 I HN -0.046 nan 8.210 nan 0.000 0.548 1288 N N 0.267 119.087 118.700 0.200 0.000 2.036 1288 N HA 0.052 4.792 4.740 -0.000 0.000 0.224 1288 N C 0.039 175.691 175.510 0.237 0.000 1.381 1288 N CA 0.076 53.229 53.050 0.172 0.000 0.746 1288 N CB 0.587 39.136 38.487 0.104 0.000 1.213 1288 N HN 0.548 nan 8.380 nan 0.000 0.524 1289 Y N -0.694 119.686 120.300 0.133 0.000 2.540 1289 Y HA 0.286 4.836 4.550 -0.000 0.000 0.257 1289 Y C 0.025 176.121 175.900 0.327 0.000 1.090 1289 Y CA 0.078 58.284 58.100 0.176 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 0.973 121.427 120.300 0.257 0.000 2.675 1290 Y HA 0.339 4.889 4.550 -0.000 0.000 0.248 1290 Y C 0.850 176.828 175.900 0.130 0.000 1.161 1290 Y CA -0.393 57.825 58.100 0.197 0.000 1.203 1290 Y CB 0.322 38.891 38.460 0.182 0.000 1.262 1290 Y HN 0.344 nan 8.280 nan 0.000 0.544 1291 Q N -1.210 118.751 119.800 0.270 0.000 2.517 1291 Q HA 0.051 4.391 4.340 -0.000 0.000 0.188 1291 Q C 1.115 177.195 176.000 0.133 0.000 0.736 1291 Q CA 0.036 55.968 55.803 0.214 0.000 0.834 1291 Q CB 0.428 29.335 28.738 0.281 0.000 1.198 1291 Q HN -0.006 nan 8.270 nan 0.000 0.596 1292 D N 1.516 122.007 120.400 0.151 0.000 2.244 1292 D HA -0.198 4.442 4.640 -0.000 0.000 0.197 1292 D C 1.263 177.596 176.300 0.054 0.000 1.006 1292 D CA 1.356 55.427 54.000 0.118 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 -0.168 120.329 120.500 -0.005 0.000 2.426 1293 R HA 0.208 4.548 4.340 -0.000 0.000 0.263 1293 R C 0.397 176.484 176.300 -0.354 0.000 0.961 1293 R CA 0.147 56.157 56.100 -0.150 0.000 1.086 1293 R CB 0.405 30.592 30.300 -0.189 0.000 1.186 1293 R HN 0.042 nan 8.270 nan 0.000 0.537 1294 G N 1.227 109.796 108.800 -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 -0.272 173.958 174.900 -1.117 0.000 0.879 1294 G CA 0.053 44.642 45.100 -0.852 0.000 1.287 1294 G HN 0.387 nan 8.290 nan 0.000 0.383 1295 Y N 1.285 120.780 120.300 -1.343 0.000 2.638 1295 Y HA 0.303 4.853 4.550 -0.000 0.000 0.275 1295 Y C 2.383 177.840 175.900 -0.739 0.000 1.122 1295 Y CA 0.079 57.680 58.100 -0.831 0.000 1.266 1295 Y CB -0.453 37.637 38.460 -0.615 0.000 1.317 1295 Y HN 0.514 nan 8.280 nan 0.000 0.501 1296 F N -0.216 119.702 119.950 -0.054 0.000 3.392 1296 F HA -0.506 4.021 4.527 -0.000 0.000 0.290 1296 F C 1.988 177.715 175.800 -0.122 0.000 1.467 1296 F CA 1.160 59.080 58.000 -0.132 0.000 1.548 1296 F CB -1.670 37.181 39.000 -0.249 0.000 0.654 1296 F HN -0.029 nan 8.300 nan 0.000 0.551 1297 E N 0.366 120.656 120.200 0.149 0.000 2.914 1297 E HA -0.348 4.002 4.350 -0.000 0.000 0.218 1297 E C 1.697 178.287 176.600 -0.017 0.000 0.897 1297 E CA 2.394 58.820 56.400 0.044 0.000 1.465 1297 E CB -1.248 28.475 29.700 0.037 0.000 1.468 1297 E HN 0.720 nan 8.360 nan 0.000 0.462 1298 E N 0.301 120.460 120.200 -0.068 0.000 2.219 1298 E HA -0.181 4.169 4.350 -0.000 0.000 0.198 1298 E C 2.204 178.664 176.600 -0.232 0.000 0.998 1298 E CA 0.860 57.170 56.400 -0.150 0.000 0.818 1298 E CB -0.325 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 0.890 121.943 121.223 -0.283 0.000 2.162 1299 L HA -0.016 4.324 4.340 -0.000 0.000 0.205 1299 L C 1.989 178.863 176.870 0.007 0.000 1.086 1299 L CA 0.982 55.683 54.840 -0.231 0.000 0.778 1299 L CB -0.305 41.602 42.059 -0.254 0.000 0.928 1299 L HN 0.101 nan 8.230 nan 0.000 0.446 1300 I N -3.444 117.156 120.570 0.050 0.000 3.680 1300 I HA 0.124 4.294 4.170 -0.000 0.000 0.306 1300 I C 0.625 176.801 176.117 0.099 0.000 1.260 1300 I CA 0.922 62.296 61.300 0.124 0.000 1.201 1300 I CB -0.931 37.153 38.000 0.140 0.000 1.009 1300 I HN 0.043 nan 8.210 nan 0.000 0.467 1301 T N -0.639 113.941 114.554 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 -0.075 62.044 62.100 0.031 0.000 0.894 1301 T CB 0.247 69.121 68.868 0.009 0.000 1.160 1301 T HN 0.284 nan 8.240 nan 0.000 0.532 1302 M N 1.911 121.524 119.600 0.022 0.000 2.276 1302 M HA 0.241 4.721 4.480 -0.000 0.000 0.262 1302 M C 1.729 178.038 176.300 0.015 0.000 1.098 1302 M CA 1.344 56.660 55.300 0.027 0.000 1.167 1302 M CB -0.759 31.882 32.600 0.068 0.000 1.337 1302 M HN 0.250 nan 8.290 nan 0.000 0.446 1303 L N -0.053 121.185 121.223 0.024 0.000 2.263 1303 L HA -0.185 4.155 4.340 -0.000 0.000 0.216 1303 L C 1.884 178.717 176.870 -0.061 0.000 1.111 1303 L CA 1.130 55.959 54.840 -0.019 0.000 0.773 1303 L CB -1.432 40.624 42.059 -0.006 0.000 0.906 1303 L HN 0.306 nan 8.230 nan 0.000 0.439 1304 E N 0.580 120.766 120.200 -0.024 0.000 2.393 1304 E HA -0.212 4.138 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 1.281 57.663 56.400 -0.030 0.000 0.856 1304 E CB 0.083 29.789 29.700 0.011 0.000 0.771 1304 E HN 0.713 nan 8.360 nan 0.000 0.526 1305 A N 0.073 122.862 122.820 -0.053 0.000 1.917 1305 A HA 0.405 4.725 4.320 -0.000 0.000 0.200 1305 A C 2.156 179.702 177.584 -0.064 0.000 1.671 1305 A CA 0.536 52.542 52.037 -0.052 0.000 1.034 1305 A CB -0.215 18.767 19.000 -0.031 0.000 1.057 1305 A HN 0.177 nan 8.150 nan 0.000 0.507 1306 A N 0.010 122.792 122.820 -0.064 0.000 2.032 1306 A HA -0.075 4.245 4.320 -0.000 0.000 0.221 1306 A C 1.750 179.293 177.584 -0.069 0.000 1.165 1306 A CA 1.802 53.799 52.037 -0.067 0.000 0.645 1306 A CB -0.509 18.445 19.000 -0.077 0.000 0.807 1306 A HN 0.403 nan 8.150 nan 0.000 0.453 1307 L N -1.010 120.144 121.223 -0.115 0.000 2.395 1307 L HA 0.090 4.430 4.340 -0.000 0.000 0.218 1307 L C 2.406 179.211 176.870 -0.109 0.000 1.130 1307 L CA 1.425 56.178 54.840 -0.145 0.000 0.826 1307 L CB -0.637 41.171 42.059 -0.419 0.000 0.941 1307 L HN 0.374 nan 8.230 nan 0.000 0.451 1308 G N -1.474 107.272 108.800 -0.091 0.000 2.887 1308 G HA2 0.150 4.110 3.960 -0.000 0.000 0.211 1308 G HA3 0.150 4.110 3.960 -0.000 0.000 0.211 1308 G C 0.838 175.725 174.900 -0.022 0.000 1.152 1308 G CA -0.323 44.745 45.100 -0.054 0.000 0.769 1308 G HN 0.139 nan 8.290 nan 0.000 0.541 1309 L N 0.269 121.478 121.223 -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 54.772 54.840 -0.013 0.000 0.823 1309 L CB 0.482 42.531 42.059 -0.018 0.000 1.096 1309 L HN 0.146 nan 8.230 nan 0.000 0.521 1310 E N 0.378 120.577 120.200 -0.001 0.000 2.472 1310 E HA -0.155 4.195 4.350 -0.000 0.000 0.200 1310 E C 1.130 177.736 176.600 0.010 0.000 1.046 1310 E CA 0.728 57.130 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 0.377 nan 8.360 nan 0.000 0.533 1311 R N -0.257 120.253 120.500 0.017 0.000 2.690 1311 R HA 0.294 4.634 4.340 -0.000 0.000 0.419 1311 R C -0.951 175.403 176.300 0.090 0.000 1.090 1311 R CA 0.019 56.135 56.100 0.027 0.000 1.064 1311 R CB 0.851 31.151 30.300 0.001 0.000 1.391 1311 R HN -0.005 nan 8.270 nan 0.000 0.586 1312 A N 0.983 123.859 122.820 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 -0.465 51.651 52.037 0.131 0.000 0.800 1312 A CB 0.120 19.193 19.000 0.122 0.000 1.052 1312 A HN 0.590 nan 8.150 nan 0.000 0.493 1313 H N 0.935 119.971 119.070 -0.056 0.000 3.513 1313 H HA 0.481 5.037 4.556 -0.000 0.000 0.278 1313 H C 1.027 176.159 175.328 -0.327 0.000 1.683 1313 H CA -0.356 55.603 56.048 -0.148 0.000 1.552 1313 H CB 0.438 30.145 29.762 -0.092 0.000 1.474 1313 H HN 0.579 nan 8.280 nan 0.000 0.870 1314 M N 0.225 119.697 119.600 -0.214 0.000 2.191 1314 M HA 0.105 4.585 4.480 -0.000 0.000 0.262 1314 M C 2.147 178.296 176.300 -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 31.888 32.600 -0.188 0.000 1.344 1314 M HN 0.730 nan 8.290 nan 0.000 0.431 1315 G N 1.382 110.144 108.800 -0.063 0.000 2.547 1315 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.221 1315 G HA3 -0.315 3.645 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 1.603 46.708 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 2.490 178.895 176.300 0.176 0.000 1.067 1316 M CA 2.017 57.300 55.300 -0.028 0.000 1.084 1316 M CB -1.095 31.468 32.600 -0.062 0.000 1.252 1316 M HN 0.283 nan 8.290 nan 0.000 0.454 1317 F N 0.315 120.170 119.950 -0.159 0.000 2.111 1317 F HA -0.290 4.237 4.527 -0.000 0.000 0.300 1317 F C 2.672 178.477 175.800 0.008 0.000 1.088 1317 F CA 1.137 59.121 58.000 -0.026 0.000 1.243 1317 F CB -1.356 37.645 39.000 0.003 0.000 0.996 1317 F HN 0.292 nan 8.300 nan 0.000 0.483 1318 T N -0.094 114.572 114.554 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 1.626 63.774 62.100 0.081 0.000 1.176 1318 T CB -0.385 68.511 68.868 0.047 0.000 0.863 1318 T HN 0.169 nan 8.240 nan 0.000 0.410 1319 E N 1.306 121.540 120.200 0.057 0.000 2.130 1319 E HA -0.125 4.225 4.350 -0.000 0.000 0.196 1319 E C 2.214 178.852 176.600 0.062 0.000 0.998 1319 E CA 0.633 57.075 56.400 0.069 0.000 0.806 1319 E CB -0.842 28.917 29.700 0.099 0.000 0.738 1319 E HN 0.326 nan 8.360 nan 0.000 0.459 1320 L N 0.961 122.203 121.223 0.032 0.000 2.081 1320 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 1320 L C 2.141 178.953 176.870 -0.097 0.000 1.080 1320 L CA 2.184 57.013 54.840 -0.017 0.000 0.754 1320 L CB -0.735 41.266 42.059 -0.096 0.000 0.893 1320 L HN 0.074 nan 8.230 nan 0.000 0.433 1321 A N -0.251 122.457 122.820 -0.187 0.000 1.897 1321 A HA -0.104 4.216 4.320 -0.000 0.000 0.215 1321 A C 2.203 179.756 177.584 -0.052 0.000 1.181 1321 A CA 1.631 53.534 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 -0.291 3.879 4.170 -0.000 0.000 0.258 1322 I C 2.051 178.189 176.117 0.034 0.000 1.172 1322 I CA 0.955 62.250 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 -1.413 119.927 121.223 0.195 0.000 2.185 1323 L HA -0.068 4.272 4.340 -0.000 0.000 0.198 1323 L C 2.400 179.495 176.870 0.376 0.000 1.079 1323 L CA 0.679 55.795 54.840 0.460 0.000 0.780 1323 L CB -0.855 41.467 42.059 0.438 0.000 0.955 1323 L HN 0.012 nan 8.230 nan 0.000 0.462 1324 Y N 1.371 121.698 120.300 0.045 0.000 2.365 1324 Y HA -0.261 4.289 4.550 -0.000 0.000 0.287 1324 Y C 3.011 178.852 175.900 -0.099 0.000 1.162 1324 Y CA 1.037 59.132 58.100 -0.008 0.000 1.260 1324 Y CB -0.857 37.568 38.460 -0.058 0.000 0.976 1324 Y HN 0.334 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 -0.137 4.333 4.470 -0.000 0.000 0.214 1325 S C 0.985 175.373 174.600 -0.354 0.000 1.032 1325 S CA 0.878 58.943 58.200 -0.225 0.000 1.001 1325 S CB -0.519 62.513 63.200 -0.281 0.000 0.953 1325 S HN 0.444 nan 8.310 nan 0.000 0.430 1326 K N 0.503 120.521 120.400 -0.638 0.000 2.423 1326 K HA 0.541 4.861 4.320 -0.000 0.000 0.234 1326 K C -1.311 174.511 176.600 -1.297 0.000 1.051 1326 K CA -0.546 55.346 56.287 -0.660 0.000 1.021 1326 K CB 0.327 32.399 32.500 -0.713 0.000 1.474 1326 K HN 0.373 nan 8.250 nan 0.000 0.474 1327 F N 0.165 120.047 119.950 -0.115 0.000 1.971 1327 F HA 0.170 4.697 4.527 -0.000 0.000 0.229 1327 F C -0.590 175.135 175.800 -0.125 0.000 1.299 1327 F CA -0.737 57.181 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 0.050 nan 8.300 nan 0.000 0.102 1328 K N 3.285 123.736 120.400 0.085 0.000 2.307 1328 K HA 0.179 4.499 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 -1.044 55.203 56.287 -0.068 0.000 0.996 1328 K CB 0.618 32.991 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 0.658 63.737 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 0.398 120.187 119.800 -0.019 0.000 2.473 1330 Q HA -0.406 3.934 4.340 -0.000 0.000 0.238 1330 Q C 1.666 177.668 176.000 0.003 0.000 1.088 1330 Q CA 2.530 58.326 55.803 -0.011 0.000 0.989 1330 Q CB -1.963 26.761 28.738 -0.023 0.000 0.972 1330 Q HN 0.178 nan 8.270 nan 0.000 0.543 1331 K N 0.472 120.860 120.400 -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 1.650 57.968 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 1.773 121.504 119.600 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 1.897 57.414 55.300 0.362 0.000 1.082 1332 M CB -0.459 32.228 32.600 0.144 0.000 1.335 1332 M HN 0.135 nan 8.290 nan 0.000 0.401 1333 R N -0.227 120.330 120.500 0.095 0.000 2.062 1333 R HA -0.174 4.166 4.340 -0.000 0.000 0.229 1333 R C 2.030 178.324 176.300 -0.010 0.000 1.128 1333 R CA 1.846 57.947 56.100 0.002 0.000 0.960 1333 R CB -0.374 29.898 30.300 -0.047 0.000 0.855 1333 R HN 0.381 nan 8.270 nan 0.000 0.432 1334 E N 0.097 120.319 120.200 0.035 0.000 2.113 1334 E HA -0.312 4.038 4.350 -0.000 0.000 0.210 1334 E C 1.812 178.402 176.600 -0.018 0.000 1.040 1334 E CA 2.142 58.549 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 0.477 119.556 119.070 0.014 0.000 2.253 1335 H HA -0.125 4.431 4.556 -0.000 0.000 0.299 1335 H C 2.205 177.450 175.328 -0.139 0.000 1.064 1335 H CA 2.141 58.181 56.048 -0.013 0.000 1.264 1335 H CB -0.684 29.049 29.762 -0.048 0.000 1.371 1335 H HN 0.214 nan 8.280 nan 0.000 0.493 1336 L N 0.346 121.831 121.223 0.438 0.000 1.976 1336 L HA -0.248 4.092 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 2.149 57.160 54.840 0.284 0.000 0.784 1336 L CB -1.059 41.079 42.059 0.132 0.000 0.896 1336 L HN 0.289 nan 8.230 nan 0.000 0.438 1337 E N 0.268 120.273 120.200 -0.325 0.000 2.253 1337 E HA -0.221 4.129 4.350 -0.000 0.000 0.202 1337 E C 1.954 178.293 176.600 -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 -1.485 119.434 121.223 -0.508 0.000 2.185 1338 L HA 0.120 4.460 4.340 -0.000 0.000 0.198 1338 L C 0.199 176.804 176.870 -0.443 0.000 1.079 1338 L CA 0.107 54.513 54.840 -0.725 0.000 0.780 1338 L CB 0.055 41.148 42.059 -1.610 0.000 0.955 1338 L HN 0.011 nan 8.230 nan 0.000 0.462 1339 F N 0.181 120.160 119.950 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 -1.102 57.012 58.000 0.190 0.000 1.246 1339 F CB -0.167 38.777 39.000 -0.092 0.000 1.569 1339 F HN 0.200 nan 8.300 nan 0.000 0.561 1340 W N -0.643 120.774 121.300 0.195 0.000 2.866 1340 W HA 0.203 4.863 4.660 -0.000 0.000 0.258 1340 W C 1.611 178.201 176.519 0.118 0.000 1.183 1340 W CA 0.667 58.118 57.345 0.176 0.000 1.451 1340 W CB -1.164 28.401 29.460 0.174 0.000 0.959 1340 W HN 0.362 nan 8.180 nan 0.000 0.622 1341 S N 1.984 117.488 115.700 -0.326 0.000 2.335 1341 S HA -0.036 4.434 4.470 -0.000 0.000 0.217 1341 S C 1.102 175.595 174.600 -0.179 0.000 1.032 1341 S CA 0.728 58.691 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 0.180 nan 8.310 nan 0.000 0.445 1342 R N 1.144 121.571 120.500 -0.121 0.000 3.688 1342 R HA 0.459 4.799 4.340 -0.000 0.000 0.194 1342 R C -0.836 175.341 176.300 -0.207 0.000 1.677 1342 R CA -0.061 55.879 56.100 -0.268 0.000 1.351 1342 R CB 0.060 30.033 30.300 -0.545 0.000 1.338 1342 R HN 0.214 nan 8.270 nan 0.000 0.731 1343 V N 0.583 120.441 119.914 -0.094 0.000 3.121 1343 V HA 0.071 4.191 4.120 -0.000 0.000 0.263 1343 V C -1.375 174.719 176.094 -0.000 0.000 1.795 1343 V CA -1.129 61.171 62.300 -0.000 0.000 0.979 1343 V CB 2.259 34.185 31.823 0.171 0.000 1.335 1343 V HN 0.697 nan 8.190 nan 0.000 0.462 1344 N N 2.757 121.467 118.700 0.016 0.000 2.379 1344 N HA 0.500 5.240 4.740 -0.000 0.000 0.260 1344 N C 0.314 175.854 175.510 0.050 0.000 1.254 1344 N CA 0.459 53.519 53.050 0.017 0.000 0.958 1344 N CB 1.548 40.047 38.487 0.021 0.000 1.208 1344 N HN 0.734 nan 8.380 nan 0.000 0.532 1345 I N -1.566 119.048 120.570 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 0.192 0.000 1.188 1345 I CA -0.406 60.990 61.300 0.159 0.000 1.320 1345 I CB -0.340 37.800 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 1.595 178.934 177.300 0.064 0.000 1.162 1346 P CA 1.714 64.899 63.100 0.142 0.000 0.879 1346 P CB -0.074 31.706 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 -0.089 4.231 4.320 -0.000 0.000 0.209 1347 K C 1.992 178.592 176.600 0.001 0.000 1.048 1347 K CA 1.483 57.783 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 2.373 122.289 119.914 0.004 0.000 2.380 1348 V HA -0.256 3.864 4.120 -0.000 0.000 0.251 1348 V C 2.584 178.638 176.094 -0.066 0.000 1.063 1348 V CA 1.695 63.978 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 -0.745 120.444 121.223 -0.056 0.000 2.353 1349 L HA -0.118 4.222 4.340 -0.000 0.000 0.220 1349 L C 2.175 178.999 176.870 -0.077 0.000 1.133 1349 L CA 0.986 55.775 54.840 -0.085 0.000 0.798 1349 L CB -0.286 41.745 42.059 -0.047 0.000 0.922 1349 L HN 0.222 nan 8.230 nan 0.000 0.445 1350 R N -0.664 119.800 120.500 -0.060 0.000 2.466 1350 R HA 0.225 4.565 4.340 -0.000 0.000 0.279 1350 R C 0.828 177.070 176.300 -0.097 0.000 0.976 1350 R CA 0.489 56.549 56.100 -0.066 0.000 1.081 1350 R CB 0.244 30.524 30.300 -0.034 0.000 1.215 1350 R HN 0.166 nan 8.270 nan 0.000 0.546 1351 A N -1.945 120.802 122.820 -0.122 0.000 2.474 1351 A HA 0.509 4.829 4.320 -0.000 0.000 0.221 1351 A C 1.331 178.793 177.584 -0.202 0.000 1.298 1351 A CA 0.459 52.403 52.037 -0.155 0.000 1.008 1351 A CB 0.316 19.247 19.000 -0.115 0.000 1.217 1351 A HN 0.207 nan 8.150 nan 0.000 0.553 1352 A N 0.207 122.911 122.820 -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 -0.295 0.000 1.328 1352 A CA 1.165 53.061 52.037 -0.234 0.000 0.693 1352 A CB -0.247 18.621 19.000 -0.220 0.000 0.994 1352 A HN 0.214 nan 8.150 nan 0.000 0.485 1353 E N -0.062 120.000 120.200 -0.229 0.000 2.478 1353 E HA -0.110 4.240 4.350 -0.000 0.000 0.198 1353 E C 1.654 178.041 176.600 -0.355 0.000 1.046 1353 E CA 1.098 57.363 56.400 -0.225 0.000 0.870 1353 E CB -0.058 29.599 29.700 -0.072 0.000 0.818 1353 E HN 0.752 nan 8.360 nan 0.000 0.527 1354 Q N 0.046 119.651 119.800 -0.324 0.000 2.320 1354 Q HA 0.274 4.614 4.340 -0.000 0.000 0.201 1354 Q C -0.642 175.102 176.000 -0.426 0.000 0.910 1354 Q CA 0.096 55.701 55.803 -0.329 0.000 0.946 1354 Q CB 0.701 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 0.370 122.886 122.820 -0.508 0.000 2.480 1355 A HA 0.390 4.710 4.320 -0.000 0.000 0.289 1355 A C -1.347 175.897 177.584 -0.567 0.000 1.044 1355 A CA -0.790 50.973 52.037 -0.457 0.000 0.761 1355 A CB 0.474 19.268 19.000 -0.344 0.000 1.289 1355 A HN 0.389 nan 8.150 nan 0.000 0.401 1356 H N 3.582 122.399 119.070 -0.422 0.000 2.989 1356 H HA 0.137 4.693 4.556 -0.000 0.000 0.284 1356 H C 0.308 175.186 175.328 -0.751 0.000 1.440 1356 H CA 0.016 55.587 56.048 -0.796 0.000 1.209 1356 H CB -0.309 29.076 29.762 -0.629 0.000 1.453 1356 H HN 0.509 nan 8.280 nan 0.000 0.550 1357 L N 0.187 121.181 121.223 -0.382 0.000 2.930 1357 L HA -0.003 4.337 4.340 -0.000 0.000 0.250 1357 L C 0.947 177.767 176.870 -0.084 0.000 1.320 1357 L CA -0.264 54.475 54.840 -0.168 0.000 1.163 1357 L CB -0.689 41.300 42.059 -0.117 0.000 1.542 1357 L HN 0.416 nan 8.230 nan 0.000 0.428 1358 W N 0.572 121.872 121.300 0.001 0.000 2.258 1358 W HA -0.383 4.277 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 0.939 58.288 57.345 0.006 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 0.713 123.732 122.820 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 2.491 54.652 52.037 0.207 0.000 0.638 1359 A CB -0.791 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 -0.649 119.607 120.200 0.093 0.000 2.102 1360 E HA 0.079 4.429 4.350 -0.000 0.000 0.190 1360 E C 1.939 178.572 176.600 0.055 0.000 0.971 1360 E CA 0.546 56.980 56.400 0.056 0.000 0.821 1360 E CB -0.420 29.281 29.700 0.001 0.000 0.777 1360 E HN 0.556 nan 8.360 nan 0.000 0.460 1361 L N 0.515 121.734 121.223 -0.007 0.000 2.129 1361 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 1361 L C 1.697 178.511 176.870 -0.094 0.000 1.087 1361 L CA 1.051 55.814 54.840 -0.128 0.000 0.757 1361 L CB 0.015 41.965 42.059 -0.182 0.000 0.896 1361 L HN 0.060 nan 8.230 nan 0.000 0.434 1362 V N -0.643 119.386 119.914 0.192 0.000 2.346 1362 V HA -0.282 3.838 4.120 -0.000 0.000 0.244 1362 V C 2.169 178.386 176.094 0.205 0.000 1.037 1362 V CA 1.891 64.396 62.300 0.342 0.000 1.029 1362 V CB -0.749 31.276 31.823 0.336 0.000 0.663 1362 V HN 0.471 nan 8.190 nan 0.000 0.454 1363 F N 0.689 120.654 119.950 0.025 0.000 2.154 1363 F HA -0.245 4.282 4.527 -0.000 0.000 0.301 1363 F C 2.022 177.792 175.800 -0.051 0.000 1.087 1363 F CA 1.669 59.649 58.000 -0.033 0.000 1.274 1363 F CB -0.227 38.731 39.000 -0.070 0.000 1.009 1363 F HN 0.040 nan 8.300 nan 0.000 0.485 1364 L N -1.153 120.115 121.223 0.075 0.000 1.956 1364 L HA -0.303 4.037 4.340 -0.000 0.000 0.216 1364 L C 2.422 179.262 176.870 -0.050 0.000 1.073 1364 L CA 1.779 56.610 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 0.103 nan 8.230 nan 0.000 0.433 1365 Y N 0.546 120.833 120.300 -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 1.617 59.649 58.100 -0.114 0.000 1.146 1365 Y CB -1.019 37.360 38.460 -0.135 0.000 0.968 1365 Y HN 0.362 nan 8.280 nan 0.000 0.504 1366 D N 0.095 120.410 120.400 -0.142 0.000 2.182 1366 D HA -0.216 4.424 4.640 -0.000 0.000 0.193 1366 D C 1.947 177.992 176.300 -0.425 0.000 0.999 1366 D CA 2.110 55.858 54.000 -0.420 0.000 0.850 1366 D CB -0.028 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 -0.729 119.435 120.400 -0.394 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 0.730 56.928 56.287 -0.149 0.000 0.933 1367 K CB -0.867 31.625 32.500 -0.013 0.000 0.721 1367 K HN 0.432 nan 8.250 nan 0.000 0.447 1368 Y N 1.838 122.079 120.300 -0.098 0.000 2.403 1368 Y HA -0.208 4.342 4.550 -0.000 0.000 0.291 1368 Y C 0.121 175.974 175.900 -0.079 0.000 1.143 1368 Y CA 1.419 59.495 58.100 -0.040 0.000 1.257 1368 Y CB 0.076 38.531 38.460 -0.008 0.000 0.984 1368 Y HN 0.255 nan 8.280 nan 0.000 0.550 1369 E N -1.032 119.163 120.200 -0.009 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 28.339 29.700 0.076 0.000 1.569 1369 E HN 0.399 nan 8.360 nan 0.000 0.429 1370 E N -0.151 120.021 120.200 -0.047 0.000 2.320 1370 E HA 0.064 4.414 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 -0.071 56.308 56.400 -0.035 0.000 1.545 1370 E CB -0.277 29.338 29.700 -0.142 0.000 1.379 1370 E HN 0.426 nan 8.360 nan 0.000 0.437 1371 Y N 1.702 121.977 120.300 -0.042 0.000 2.133 1371 Y HA -0.371 4.179 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 1.678 59.709 58.100 -0.116 0.000 1.152 1371 Y CB -0.547 37.839 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 -0.267 4.373 4.640 -0.000 0.000 0.192 1372 D C 1.324 177.520 176.300 -0.174 0.000 1.008 1372 D CA 2.221 56.161 54.000 -0.100 0.000 0.872 1372 D CB -0.840 39.915 40.800 -0.074 0.000 0.923 1372 D HN 0.394 nan 8.370 nan 0.000 0.447 1373 N N 0.373 118.917 118.700 -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 1.242 54.011 53.050 -0.469 0.000 0.869 1373 N CB -0.366 37.642 38.487 -0.798 0.000 1.000 1373 N HN 0.363 nan 8.380 nan 0.000 0.431 1374 A N 2.207 124.813 122.820 -0.358 0.000 1.883 1374 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 1374 A C 2.146 179.694 177.584 -0.059 0.000 1.186 1374 A CA 0.991 52.991 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 0.177 120.647 120.570 -0.167 0.000 2.226 1375 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 1375 I C 2.397 178.455 176.117 -0.097 0.000 1.100 1375 I CA 1.414 62.531 61.300 -0.306 0.000 1.374 1375 I CB -1.048 36.681 38.000 -0.452 0.000 1.057 1375 I HN 0.342 nan 8.210 nan 0.000 0.413 1376 I N 0.654 121.167 120.570 -0.095 0.000 2.335 1376 I HA -0.267 3.903 4.170 -0.000 0.000 0.251 1376 I C 1.917 178.045 176.117 0.020 0.000 1.129 1376 I CA 1.327 62.596 61.300 -0.052 0.000 1.402 1376 I CB -0.715 37.241 38.000 -0.072 0.000 1.069 1376 I HN 0.190 nan 8.210 nan 0.000 0.424 1377 T N 0.586 115.225 114.554 0.143 0.000 3.139 1377 T HA -0.022 4.328 4.350 -0.000 0.000 0.267 1377 T C 1.223 176.048 174.700 0.207 0.000 1.164 1377 T CA 0.923 63.275 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 0.360 nan 8.240 nan 0.000 0.540 1378 M N -0.360 119.249 119.600 0.015 0.000 2.596 1378 M HA 0.427 4.907 4.480 -0.000 0.000 0.364 1378 M C 1.108 177.037 176.300 -0.619 0.000 1.158 1378 M CA -0.018 55.190 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 -1.008 118.283 119.600 -0.515 0.000 2.730 1379 M HA 0.168 4.648 4.480 -0.000 0.000 0.258 1379 M C 0.823 176.807 176.300 -0.527 0.000 1.279 1379 M CA 1.092 56.088 55.300 -0.506 0.000 1.183 1379 M CB 0.260 32.691 32.600 -0.282 0.000 1.291 1379 M HN 0.282 nan 8.290 nan 0.000 0.518 1380 N N -0.255 117.910 118.700 -0.892 0.000 2.200 1380 N HA 0.104 4.844 4.740 -0.000 0.000 0.224 1380 N C -0.626 174.095 175.510 -1.314 0.000 1.179 1380 N CA -0.023 52.453 53.050 -0.956 0.000 0.877 1380 N CB 0.704 38.676 38.487 -0.858 0.000 1.072 1380 N HN 0.295 nan 8.380 nan 0.000 0.519 1381 H N -1.474 117.195 119.070 -0.669 0.000 2.947 1381 H HA 0.204 4.760 4.556 -0.000 0.000 0.222 1381 H C -2.342 172.739 175.328 -0.411 0.000 1.414 1381 H CA -1.287 54.258 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 2.651 65.746 63.100 -0.008 0.000 0.924 1382 P CB -0.113 31.646 31.700 0.099 0.000 0.736 1383 T N -2.703 111.901 114.554 0.082 0.000 2.774 1383 T HA -0.289 4.061 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 -1.460 67.451 68.868 0.072 0.000 0.842 1383 T HN 0.138 nan 8.240 nan 0.000 0.483 1384 D N 0.874 121.363 120.400 0.148 0.000 2.197 1384 D HA 0.386 5.026 4.640 -0.000 0.000 0.212 1384 D C 2.109 178.543 176.300 0.223 0.000 0.963 1384 D CA 1.012 55.117 54.000 0.176 0.000 0.864 1384 D CB -0.081 40.813 40.800 0.157 0.000 1.009 1384 D HN 0.519 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 0.168 4.488 4.320 -0.000 0.000 0.199 1385 A C 0.197 177.939 177.584 0.264 0.000 1.416 1385 A CA -0.515 51.673 52.037 0.253 0.000 1.018 1385 A CB -0.615 18.566 19.000 0.302 0.000 1.117 1385 A HN 0.317 nan 8.150 nan 0.000 0.480 1386 W N 2.013 123.381 121.300 0.113 0.000 2.345 1386 W HA 0.236 4.896 4.660 -0.000 0.000 0.346 1386 W C 0.029 176.642 176.519 0.157 0.000 1.243 1386 W CA 1.213 58.646 57.345 0.145 0.000 1.327 1386 W CB 0.355 29.889 29.460 0.124 0.000 1.187 1386 W HN 0.082 nan 8.180 nan 0.000 0.588 1387 K N 5.518 125.443 120.400 -0.791 0.000 3.200 1387 K HA -0.011 4.309 4.320 -0.000 0.000 0.179 1387 K C 0.375 176.385 176.600 -0.984 0.000 1.153 1387 K CA 0.134 55.970 56.287 -0.752 0.000 0.836 1387 K CB 0.908 33.251 32.500 -0.262 0.000 1.051 1387 K HN 0.761 nan 8.250 nan 0.000 0.594 1388 E N 0.550 119.595 120.200 -1.924 0.000 3.567 1388 E HA -0.367 3.983 4.350 -0.000 0.000 0.471 1388 E C 1.197 177.693 176.600 -0.172 0.000 1.627 1388 E CA 2.678 58.605 56.400 -0.789 0.000 1.218 1388 E CB -1.219 28.276 29.700 -0.341 0.000 1.214 1388 E HN 0.585 nan 8.360 nan 0.000 0.385 1389 G N -0.638 108.103 108.800 -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 -0.427 119.344 119.800 -0.048 0.000 2.268 1390 Q HA -0.168 4.172 4.340 -0.000 0.000 0.210 1390 Q C 1.816 177.877 176.000 0.102 0.000 0.988 1390 Q CA 1.353 57.155 55.803 -0.001 0.000 0.883 1390 Q CB -0.391 28.311 28.738 -0.060 0.000 0.911 1390 Q HN 0.489 nan 8.270 nan 0.000 0.430 1391 F N -0.122 119.848 119.950 0.034 0.000 2.664 1391 F HA 0.160 4.687 4.527 -0.000 0.000 0.296 1391 F C 1.418 177.261 175.800 0.072 0.000 1.125 1391 F CA 0.663 58.751 58.000 0.146 0.000 1.444 1391 F CB 0.235 39.491 39.000 0.427 0.000 1.114 1391 F HN -0.062 nan 8.300 nan 0.000 0.576 1392 K N -0.227 120.332 120.400 0.265 0.000 2.217 1392 K HA -0.090 4.230 4.320 -0.000 0.000 0.202 1392 K C 0.653 177.290 176.600 0.062 0.000 1.051 1392 K CA 1.261 57.639 56.287 0.152 0.000 0.952 1392 K CB -0.063 32.500 32.500 0.105 0.000 0.736 1392 K HN 0.245 nan 8.250 nan 0.000 0.453 1393 D N 0.009 120.431 120.400 0.037 0.000 2.363 1393 D HA 0.102 4.742 4.640 -0.000 0.000 0.214 1393 D C 1.348 177.644 176.300 -0.007 0.000 1.093 1393 D CA 0.340 54.349 54.000 0.015 0.000 0.837 1393 D CB 0.451 41.271 40.800 0.034 0.000 0.948 1393 D HN 0.212 nan 8.370 nan 0.000 0.507 1394 I N -0.294 120.249 120.570 -0.045 0.000 2.899 1394 I HA -0.047 4.123 4.170 -0.000 0.000 0.257 1394 I C 2.181 178.114 176.117 -0.307 0.000 1.115 1394 I CA -0.104 61.189 61.300 -0.012 0.000 1.451 1394 I CB 0.073 38.115 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 -0.275 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 2.015 63.158 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 0.641 115.162 114.554 -0.055 0.000 2.897 1396 T HA -0.139 4.211 4.350 -0.000 0.000 0.271 1396 T C 1.333 175.935 174.700 -0.163 0.000 1.084 1396 T CA 1.072 63.143 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 0.188 nan 8.240 nan 0.000 0.496 1397 K N 1.531 121.678 120.400 -0.423 0.000 2.577 1397 K HA 0.317 4.637 4.320 -0.000 0.000 0.210 1397 K C -0.291 176.069 176.600 -0.400 0.000 1.048 1397 K CA -0.030 55.937 56.287 -0.534 0.000 1.188 1397 K CB 0.251 32.127 32.500 -1.040 0.000 0.910 1397 K HN 0.211 nan 8.250 nan 0.000 0.483 1398 V N 0.124 119.917 119.914 -0.203 0.000 2.732 1398 V HA 0.381 4.501 4.120 -0.000 0.000 0.310 1398 V C 1.104 177.202 176.094 0.007 0.000 1.053 1398 V CA -0.482 61.772 62.300 -0.077 0.000 0.957 1398 V CB 1.732 33.487 31.823 -0.114 0.000 1.018 1398 V HN 0.195 nan 8.190 nan 0.000 0.452 1399 A N 2.181 125.013 122.820 0.020 0.000 2.169 1399 A HA 0.159 4.479 4.320 -0.000 0.000 0.210 1399 A C 0.975 178.589 177.584 0.051 0.000 1.168 1399 A CA 0.315 52.372 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 0.832 119.561 118.700 0.047 0.000 2.437 1400 N HA 0.248 4.988 4.740 -0.000 0.000 0.259 1400 N C 0.354 175.934 175.510 0.116 0.000 0.983 1400 N CA -0.062 53.020 53.050 0.053 0.000 0.937 1400 N CB 1.740 40.232 38.487 0.009 0.000 1.122 1400 N HN -0.069 nan 8.380 nan 0.000 0.499 1401 V N 2.661 122.660 119.914 0.141 0.000 3.461 1401 V HA -0.031 4.089 4.120 -0.000 0.000 0.267 1401 V C 2.281 178.262 176.094 -0.187 0.000 1.186 1401 V CA 0.433 62.839 62.300 0.177 0.000 1.154 1401 V CB -0.432 31.393 31.823 0.003 0.000 0.802 1401 V HN 0.666 nan 8.190 nan 0.000 0.474 1402 E N 1.359 121.501 120.200 -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 -0.273 0.000 0.994 1402 E CA 1.278 57.614 56.400 -0.107 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 2.103 178.809 176.870 -0.273 0.000 1.077 1403 L CA 1.993 56.688 54.840 -0.242 0.000 0.766 1403 L CB -1.394 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 2.640 178.403 175.900 -0.229 0.000 1.145 1404 Y CA 2.474 60.392 58.100 -0.304 0.000 1.106 1404 Y CB -1.469 36.728 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 1.548 59.606 58.100 -0.071 0.000 1.130 1405 Y CB -1.273 37.132 38.460 -0.092 0.000 0.959 1405 Y HN 0.092 nan 8.280 nan 0.000 0.499 1406 R N 0.800 121.330 120.500 0.050 0.000 2.120 1406 R HA -0.128 4.212 4.340 -0.000 0.000 0.234 1406 R C 2.293 178.597 176.300 0.007 0.000 1.123 1406 R CA 1.045 57.141 56.100 -0.008 0.000 0.975 1406 R CB -0.395 29.907 30.300 0.004 0.000 0.866 1406 R HN 0.387 nan 8.270 nan 0.000 0.446 1407 A N 1.719 124.566 122.820 0.045 0.000 1.858 1407 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 1407 A C 2.121 179.822 177.584 0.194 0.000 1.190 1407 A CA 1.597 53.724 52.037 0.150 0.000 0.617 1407 A CB -0.646 18.482 19.000 0.212 0.000 0.827 1407 A HN 0.373 nan 8.150 nan 0.000 0.443 1408 I N -0.236 120.395 120.570 0.102 0.000 2.231 1408 I HA -0.446 3.724 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 2.210 63.541 61.300 0.051 0.000 1.347 1408 I CB -0.517 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 0.938 120.736 119.800 -0.004 0.000 1.993 1409 Q HA -0.272 4.068 4.340 -0.000 0.000 0.202 1409 Q C 2.331 178.346 176.000 0.025 0.000 0.984 1409 Q CA 2.118 57.913 55.803 -0.012 0.000 0.837 1409 Q CB -0.309 28.429 28.738 -0.001 0.000 0.902 1409 Q HN 0.501 nan 8.270 nan 0.000 0.423 1410 F N -0.338 119.515 119.950 -0.162 0.000 2.287 1410 F HA -0.241 4.286 4.527 -0.000 0.000 0.301 1410 F C 0.661 176.111 175.800 -0.583 0.000 1.069 1410 F CA 1.343 59.097 58.000 -0.410 0.000 1.372 1410 F CB 0.105 38.713 39.000 -0.653 0.000 1.056 1410 F HN 0.186 nan 8.300 nan 0.000 0.523 1411 Y N -2.012 118.234 120.300 -0.090 0.000 2.624 1411 Y HA 0.088 4.638 4.550 -0.000 0.000 0.260 1411 Y C 1.835 177.681 175.900 -0.091 0.000 1.090 1411 Y CA 0.349 58.373 58.100 -0.127 0.000 1.347 1411 Y CB -1.086 37.347 38.460 -0.045 0.000 1.349 1411 Y HN -0.060 nan 8.280 nan 0.000 0.502 1412 L N 0.720 122.019 121.223 0.127 0.000 2.017 1412 L HA -0.128 4.212 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 -0.715 41.362 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 1.989 178.211 176.600 -0.629 0.000 1.032 1413 E CA 2.454 58.661 56.400 -0.321 0.000 0.839 1413 E CB -0.414 29.142 29.700 -0.239 0.000 0.758 1413 E HN 0.638 nan 8.360 nan 0.000 0.457 1414 F N -0.919 118.944 119.950 -0.146 0.000 2.819 1414 F HA 0.191 4.718 4.527 -0.000 0.000 0.325 1414 F C 0.786 176.476 175.800 -0.183 0.000 1.041 1414 F CA -0.596 57.301 58.000 -0.172 0.000 1.184 1414 F CB 0.399 39.257 39.000 -0.235 0.000 1.019 1414 F HN -0.259 nan 8.300 nan 0.000 0.590 1415 K N 3.514 123.880 120.400 -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 -2.026 54.216 56.287 -0.076 0.000 0.941 1415 K CB 0.241 32.663 32.500 -0.130 0.000 1.158 1415 K HN -0.034 nan 8.250 nan 0.000 0.438 1416 P HA -0.076 nan 4.420 nan 0.000 0.251 1416 P C -0.348 176.987 177.300 0.058 0.000 1.289 1416 P CA -0.580 62.543 63.100 0.037 0.000 0.676 1416 P CB 0.173 31.887 31.700 0.024 0.000 1.294 1417 L N 1.942 123.195 121.223 0.051 0.000 2.747 1417 L HA -0.149 4.191 4.340 -0.000 0.000 0.286 1417 L C 0.945 177.865 176.870 0.084 0.000 1.216 1417 L CA 1.375 56.251 54.840 0.060 0.000 0.930 1417 L CB -1.540 40.549 42.059 0.051 0.000 1.216 1417 L HN 0.344 nan 8.230 nan 0.000 0.486 1418 L N 2.962 124.237 121.223 0.087 0.000 4.447 1418 L HA -0.298 4.042 4.340 -0.000 0.000 0.400 1418 L C 0.973 177.923 176.870 0.132 0.000 1.110 1418 L CA 0.513 55.419 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 -1.870 119.421 121.223 0.113 0.000 2.221 1419 L HA 0.108 4.448 4.340 -0.000 0.000 0.202 1419 L C 1.750 178.656 176.870 0.059 0.000 1.074 1419 L CA 1.980 56.880 54.840 0.100 0.000 0.795 1419 L CB -0.303 41.827 42.059 0.119 0.000 0.960 1419 L HN 0.252 nan 8.230 nan 0.000 0.458 1420 N N 0.119 118.856 118.700 0.062 0.000 2.120 1420 N HA -0.200 4.540 4.740 -0.000 0.000 0.188 1420 N C 0.989 176.541 175.510 0.070 0.000 1.024 1420 N CA 1.538 54.623 53.050 0.058 0.000 0.852 1420 N CB -0.239 38.288 38.487 0.066 0.000 1.003 1420 N HN 0.464 nan 8.380 nan 0.000 0.424 1421 D N 1.069 121.509 120.400 0.066 0.000 2.263 1421 D HA -0.114 4.526 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 0.299 54.337 54.000 0.063 0.000 0.867 1421 D CB -0.084 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 0.385 121.629 121.223 0.034 0.000 2.141 1422 L HA -0.052 4.288 4.340 -0.000 0.000 0.209 1422 L C 1.483 178.364 176.870 0.018 0.000 1.094 1422 L CA 1.383 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 -0.853 120.395 121.223 0.041 0.000 2.376 1423 L HA -0.169 4.171 4.340 -0.000 0.000 0.219 1423 L C 2.471 179.410 176.870 0.115 0.000 1.133 1423 L CA 0.278 55.160 54.840 0.071 0.000 0.816 1423 L CB -0.457 41.645 42.059 0.073 0.000 0.933 1423 L HN 0.240 nan 8.230 nan 0.000 0.449 1424 M N 0.204 119.859 119.600 0.092 0.000 2.126 1424 M HA -0.177 4.303 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 2.275 57.622 55.300 0.079 0.000 1.103 1424 M CB -0.943 31.694 32.600 0.061 0.000 1.284 1424 M HN 0.174 nan 8.290 nan 0.000 0.420 1425 V N -0.973 118.967 119.914 0.043 0.000 2.233 1425 V HA -0.337 3.783 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 2.429 64.747 62.300 0.030 0.000 1.032 1425 V CB -1.756 30.086 31.823 0.031 0.000 0.645 1425 V HN 0.581 nan 8.190 nan 0.000 0.446 1426 L N 0.521 121.747 121.223 0.005 0.000 2.051 1426 L HA -0.222 4.118 4.340 -0.000 0.000 0.214 1426 L C 2.596 179.427 176.870 -0.066 0.000 1.076 1426 L CA 1.805 56.611 54.840 -0.055 0.000 0.758 1426 L CB -1.372 40.642 42.059 -0.075 0.000 0.890 1426 L HN 0.519 nan 8.230 nan 0.000 0.433 1427 S N -0.646 115.052 115.700 -0.004 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 1.700 59.922 58.200 0.037 0.000 3.354 1427 S CB -2.534 60.705 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 0.320 177.603 177.300 -0.028 0.000 1.195 1428 P CA 0.769 63.890 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 0.953 121.444 120.500 -0.016 0.000 3.281 1429 R HA -0.168 4.172 4.340 -0.000 0.000 0.271 1429 R C -1.307 174.904 176.300 -0.147 0.000 1.099 1429 R CA 0.062 56.125 56.100 -0.061 0.000 0.732 1429 R CB -1.709 28.509 30.300 -0.136 0.000 1.269 1429 R HN 0.353 nan 8.270 nan 0.000 0.412 1430 L N 0.071 121.198 121.223 -0.159 0.000 2.313 1430 L HA 0.564 4.904 4.340 -0.000 0.000 0.268 1430 L C 0.342 177.119 176.870 -0.154 0.000 1.010 1430 L CA -0.038 54.687 54.840 -0.192 0.000 0.814 1430 L CB 1.816 43.669 42.059 -0.342 0.000 1.304 1430 L HN 0.146 nan 8.230 nan 0.000 0.441 1431 D N -0.414 119.924 120.400 -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 -0.412 118.637 119.070 -0.034 0.000 5.363 1432 H HA -0.259 4.297 4.556 -0.000 0.000 0.065 1432 H C 1.551 176.899 175.328 0.034 0.000 0.517 1432 H CA 2.266 58.316 56.048 0.004 0.000 1.053 1432 H CB -1.441 28.245 29.762 -0.127 0.000 0.554 1432 H HN 0.199 nan 8.280 nan 0.000 0.717 1433 T N 1.108 115.740 114.554 0.130 0.000 2.778 1433 T HA -0.174 4.176 4.350 -0.000 0.000 0.269 1433 T C 1.700 176.430 174.700 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 0.174 120.676 120.500 0.003 0.000 2.893 1434 R HA 0.496 4.836 4.340 -0.000 0.000 0.317 1434 R C 0.810 177.081 176.300 -0.047 0.000 1.239 1434 R CA 0.038 56.095 56.100 -0.072 0.000 1.128 1434 R CB -0.132 30.039 30.300 -0.215 0.000 1.377 1434 R HN 0.327 nan 8.270 nan 0.000 0.583 1435 A N -0.951 121.937 122.820 0.112 0.000 1.808 1435 A HA 0.106 4.426 4.320 -0.000 0.000 0.190 1435 A C 1.409 179.330 177.584 0.563 0.000 1.822 1435 A CA -0.005 52.202 52.037 0.282 0.000 1.090 1435 A CB -0.074 19.139 19.000 0.355 0.000 1.004 1435 A HN 0.106 nan 8.150 nan 0.000 0.602 1436 V N 2.580 122.792 119.914 0.496 0.000 2.439 1436 V HA -0.329 3.791 4.120 -0.000 0.000 0.253 1436 V C 2.163 178.485 176.094 0.380 0.000 1.074 1436 V CA 2.431 65.006 62.300 0.459 0.000 1.076 1436 V CB -1.153 30.793 31.823 0.204 0.000 0.664 1436 V HN 0.576 nan 8.190 nan 0.000 0.461 1437 N N -0.658 118.185 118.700 0.238 0.000 2.166 1437 N HA -0.191 4.549 4.740 -0.000 0.000 0.186 1437 N C 1.676 177.243 175.510 0.094 0.000 1.019 1437 N CA 1.613 54.740 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 -0.081 120.181 120.300 -0.063 0.000 2.516 1438 Y HA 0.025 4.575 4.550 -0.000 0.000 0.291 1438 Y C 1.331 177.048 175.900 -0.305 0.000 1.131 1438 Y CA 0.867 58.825 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 -1.130 118.833 119.950 0.022 0.000 2.147 1439 F HA -0.101 4.426 4.527 0.000 0.000 0.291 1439 F C 2.557 178.302 175.800 -0.093 0.000 1.093 1439 F CA 1.337 59.312 58.000 -0.041 0.000 1.263 1439 F CB -0.994 38.008 39.000 0.004 0.000 1.036 1439 F HN -0.214 nan 8.300 nan 0.000 0.481 1440 S N 0.579 116.368 115.700 0.148 0.000 2.372 1440 S HA -0.251 4.219 4.470 -0.000 0.000 0.227 1440 S C 1.599 176.185 174.600 -0.024 0.000 1.044 1440 S CA 1.834 60.064 58.200 0.050 0.000 1.050 1440 S CB -0.781 62.447 63.200 0.047 0.000 0.901 1440 S HN 0.441 nan 8.310 nan 0.000 0.447 1441 K N 1.085 121.442 120.400 -0.072 0.000 2.706 1441 K HA 0.206 4.526 4.320 -0.000 0.000 0.217 1441 K C 0.496 176.979 176.600 -0.195 0.000 1.019 1441 K CA 0.243 56.459 56.287 -0.119 0.000 1.181 1441 K CB 0.051 32.476 32.500 -0.124 0.000 0.940 1441 K HN 0.182 nan 8.250 nan 0.000 0.491 1442 V N 0.519 120.324 119.914 -0.181 0.000 3.562 1442 V HA 0.022 4.142 4.120 -0.000 0.000 0.270 1442 V C 0.873 176.891 176.094 -0.126 0.000 1.418 1442 V CA 0.048 62.212 62.300 -0.226 0.000 1.033 1442 V CB -0.095 31.544 31.823 -0.306 0.000 0.820 1442 V HN 0.647 nan 8.190 nan 0.000 0.441 1443 K N 0.519 120.877 120.400 -0.071 0.000 3.341 1443 K HA -0.314 4.006 4.320 -0.000 0.000 0.305 1443 K C 0.696 177.278 176.600 -0.029 0.000 1.270 1443 K CA 1.646 57.907 56.287 -0.044 0.000 0.897 1443 K CB -0.930 31.539 32.500 -0.052 0.000 1.264 1443 K HN 0.572 nan 8.250 nan 0.000 0.468 1444 Q N -0.071 119.722 119.800 -0.011 0.000 2.140 1444 Q HA 0.238 4.578 4.340 -0.000 0.000 0.227 1444 Q C 1.417 177.460 176.000 0.072 0.000 0.798 1444 Q CA 0.006 55.819 55.803 0.017 0.000 0.987 1444 Q CB 0.478 29.209 28.738 -0.012 0.000 1.161 1444 Q HN 0.443 nan 8.270 nan 0.000 0.480 1445 L N 2.318 123.594 121.223 0.090 0.000 2.127 1445 L HA -0.068 4.272 4.340 -0.000 0.000 0.211 1445 L C -0.819 176.042 176.870 -0.015 0.000 1.089 1445 L CA 1.146 56.048 54.840 0.104 0.000 0.757 1445 L CB -0.453 41.656 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 1.923 179.204 177.300 -0.030 0.000 1.145 1446 P CA 1.324 64.396 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 0.769 121.990 121.223 -0.004 0.000 2.042 1447 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 1447 L C 2.346 179.215 176.870 -0.002 0.000 1.076 1447 L CA 1.918 56.764 54.840 0.011 0.000 0.749 1447 L CB -0.624 41.459 42.059 0.040 0.000 0.893 1447 L HN -0.065 nan 8.230 nan 0.000 0.432 1448 V N -2.364 117.517 119.914 -0.056 0.000 3.383 1448 V HA -0.204 3.916 4.120 -0.000 0.000 0.272 1448 V C 2.251 178.383 176.094 0.063 0.000 1.181 1448 V CA 1.400 63.685 62.300 -0.026 0.000 1.171 1448 V CB -0.928 30.723 31.823 -0.287 0.000 0.800 1448 V HN 0.463 nan 8.190 nan 0.000 0.515 1449 K N 2.121 122.514 120.400 -0.012 0.000 2.015 1449 K HA -0.171 4.149 4.320 -0.000 0.000 0.220 1449 K C 0.039 176.631 176.600 -0.014 0.000 1.055 1449 K CA 2.512 58.773 56.287 -0.045 0.000 0.951 1449 K CB -1.316 31.156 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 1.284 178.602 177.300 0.029 0.000 1.153 1450 P CA 1.052 64.167 63.100 0.024 0.000 0.798 1450 P CB -0.274 31.449 31.700 0.038 0.000 0.796 1451 Y N 1.483 121.747 120.300 -0.061 0.000 2.403 1451 Y HA -0.084 4.466 4.550 0.000 0.000 0.291 1451 Y C 1.760 177.617 175.900 -0.071 0.000 1.143 1451 Y CA 1.165 59.225 58.100 -0.067 0.000 1.257 1451 Y CB -1.072 37.317 38.460 -0.119 0.000 0.984 1451 Y HN -0.187 nan 8.280 nan 0.000 0.550 1452 L N -0.468 120.579 121.223 -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 -0.195 54.426 54.840 -0.365 0.000 0.890 1452 L CB -0.267 41.658 42.059 -0.224 0.000 1.103 1452 L HN -0.014 nan 8.230 nan 0.000 0.468 1453 R N 0.393 120.818 120.500 -0.126 0.000 2.070 1453 R HA -0.013 4.327 4.340 -0.000 0.000 0.227 1453 R C 2.268 178.528 176.300 -0.068 0.000 1.147 1453 R CA 1.545 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 0.183 nan 8.270 nan 0.000 0.431 1454 S N 0.635 116.298 115.700 -0.062 0.000 2.442 1454 S HA -0.018 4.452 4.470 -0.000 0.000 0.236 1454 S C 1.281 175.826 174.600 -0.093 0.000 1.007 1454 S CA 0.454 58.623 58.200 -0.051 0.000 0.965 1454 S CB -0.018 63.169 63.200 -0.022 0.000 0.773 1454 S HN -0.012 nan 8.310 nan 0.000 0.504 1455 V N 0.309 120.121 119.914 -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 -0.866 61.289 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 -0.121 119.452 119.800 -0.379 0.000 2.478 1456 Q HA -0.229 4.111 4.340 -0.000 0.000 0.286 1456 Q C 0.253 175.764 176.000 -0.815 0.000 1.299 1456 Q CA 1.487 56.984 55.803 -0.510 0.000 0.826 1456 Q CB -1.682 26.730 28.738 -0.543 0.000 1.199 1456 Q HN 0.882 nan 8.270 nan 0.000 0.451 1457 N N -2.036 116.376 118.700 -0.479 0.000 2.297 1457 N HA 0.059 4.799 4.740 -0.000 0.000 0.208 1457 N C 0.739 176.117 175.510 -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 2.560 1458 H HA 0.010 4.566 4.556 -0.000 0.000 0.283 1458 H C 0.739 175.960 175.328 -0.180 0.000 1.028 1458 H CA 0.915 56.815 56.048 -0.246 0.000 1.221 1458 H CB -0.011 29.514 29.762 -0.394 0.000 1.363 1458 H HN 0.200 nan 8.280 nan 0.000 0.594 1459 N N -0.322 118.297 118.700 -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 0.821 53.848 53.050 -0.039 0.000 0.917 1459 N CB -1.320 37.209 38.487 0.070 0.000 1.130 1459 N HN 0.336 nan 8.380 nan 0.000 0.591 1460 N N 0.521 119.207 118.700 -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 0.852 53.902 53.050 -0.001 0.000 0.866 1460 N CB 0.442 38.894 38.487 -0.057 0.000 1.102 1460 N HN 0.427 nan 8.380 nan 0.000 0.440 1461 K N 0.632 121.055 120.400 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 1.388 57.712 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 1.148 116.873 115.700 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 1.463 59.689 58.200 0.044 0.000 1.013 1462 S CB -0.885 62.355 63.200 0.067 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 -0.210 3.910 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 -1.071 30.675 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 1.599 54.649 53.050 0.001 0.000 0.851 1464 N CB -0.704 37.776 38.487 -0.012 0.000 1.044 1464 N HN 0.419 nan 8.380 nan 0.000 0.422 1465 E N 1.159 121.401 120.200 0.070 0.000 2.136 1465 E HA -0.151 4.199 4.350 -0.000 0.000 0.202 1465 E C 1.704 178.334 176.600 0.050 0.000 1.019 1465 E CA 1.264 57.715 56.400 0.084 0.000 0.819 1465 E CB -0.068 29.677 29.700 0.074 0.000 0.739 1465 E HN 0.282 nan 8.360 nan 0.000 0.458 1466 S N -0.082 115.630 115.700 0.020 0.000 2.421 1466 S HA -0.017 4.453 4.470 -0.000 0.000 0.224 1466 S C 1.830 176.395 174.600 -0.059 0.000 1.035 1466 S CA 0.303 58.499 58.200 -0.007 0.000 0.953 1466 S CB -0.116 63.079 63.200 -0.008 0.000 0.810 1466 S HN 0.163 nan 8.310 nan 0.000 0.497 1467 L N 3.324 124.502 121.223 -0.075 0.000 2.021 1467 L HA -0.209 4.131 4.340 -0.000 0.000 0.215 1467 L C 1.764 178.549 176.870 -0.142 0.000 1.074 1467 L CA 1.711 56.450 54.840 -0.168 0.000 0.760 1467 L CB -0.714 41.322 42.059 -0.038 0.000 0.889 1467 L HN 0.240 nan 8.230 nan 0.000 0.433 1468 N N -0.481 118.250 118.700 0.051 0.000 2.080 1468 N HA -0.237 4.503 4.740 -0.000 0.000 0.189 1468 N C 1.688 177.242 175.510 0.072 0.000 1.036 1468 N CA 1.717 54.847 53.050 0.132 0.000 0.846 1468 N CB -0.909 37.611 38.487 0.054 0.000 1.015 1468 N HN 0.565 nan 8.380 nan 0.000 0.423 1469 N N 0.988 119.707 118.700 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 0.650 53.724 53.050 0.041 0.000 0.867 1469 N CB 0.034 38.535 38.487 0.024 0.000 0.993 1469 N HN 0.163 nan 8.380 nan 0.000 0.433 1470 L N -0.589 120.581 121.223 -0.088 0.000 1.993 1470 L HA -0.081 4.259 4.340 -0.000 0.000 0.206 1470 L C 1.823 178.640 176.870 -0.088 0.000 1.074 1470 L CA 0.945 55.676 54.840 -0.182 0.000 0.746 1470 L CB -0.857 40.939 42.059 -0.438 0.000 0.896 1470 L HN 0.099 nan 8.230 nan 0.000 0.435 1471 F N 0.324 120.312 119.950 0.063 0.000 2.346 1471 F HA -0.186 4.341 4.527 0.000 0.000 0.301 1471 F C 2.236 178.222 175.800 0.309 0.000 1.070 1471 F CA 1.004 59.071 58.000 0.112 0.000 1.407 1471 F CB -0.848 38.162 39.000 0.017 0.000 1.072 1471 F HN 0.035 nan 8.300 nan 0.000 0.543 1472 I N -1.041 119.790 120.570 0.435 0.000 2.270 1472 I HA -0.196 3.974 4.170 -0.000 0.000 0.239 1472 I C 2.202 178.622 176.117 0.506 0.000 1.080 1472 I CA 1.423 63.126 61.300 0.671 0.000 1.383 1472 I CB -0.885 37.340 38.000 0.375 0.000 1.097 1472 I HN -0.064 nan 8.210 nan 0.000 0.420 1473 T N 0.631 115.345 114.554 0.268 0.000 2.995 1473 T HA -0.148 4.202 4.350 -0.000 0.000 0.269 1473 T C 1.576 176.334 174.700 0.097 0.000 1.091 1473 T CA 1.358 63.545 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 1.559 121.837 120.200 0.130 0.000 2.371 1474 E HA -0.058 4.292 4.350 -0.000 0.000 0.194 1474 E C 0.493 177.160 176.600 0.113 0.000 1.012 1474 E CA 0.730 57.188 56.400 0.096 0.000 0.860 1474 E CB -0.264 29.485 29.700 0.082 0.000 0.811 1474 E HN 0.504 nan 8.360 nan 0.000 0.502 1475 E N 0.357 120.660 120.200 0.173 0.000 3.687 1475 E HA -0.166 4.184 4.350 -0.000 0.000 0.319 1475 E C -0.646 176.111 176.600 0.262 0.000 0.821 1475 E CA 0.720 57.164 56.400 0.074 0.000 1.195 1475 E CB -1.597 28.095 29.700 -0.013 0.000 1.605 1475 E HN 0.433 nan 8.360 nan 0.000 0.419 1476 D N -0.029 120.609 120.400 0.397 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 0.140 54.276 54.000 0.225 0.000 0.870 1476 D CB 0.512 41.526 40.800 0.358 0.000 1.153 1476 D HN 0.252 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 2.264 178.128 175.900 -0.060 0.000 1.122 1477 Y CA -0.223 57.963 58.100 0.144 0.000 1.266 1477 Y CB -0.402 38.227 38.460 0.281 0.000 1.317 1477 Y HN 0.266 nan 8.280 nan 0.000 0.501 1478 Q N 1.523 121.153 119.800 -0.284 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 2.122 57.841 55.803 -0.141 0.000 0.843 1478 Q CB -0.369 28.240 28.738 -0.215 0.000 0.908 1478 Q HN 0.633 nan 8.270 nan 0.000 0.420 1479 A N 0.892 123.486 122.820 -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 1.453 53.156 52.037 -0.557 0.000 0.615 1479 A CB -1.070 17.564 19.000 -0.610 0.000 0.838 1479 A HN 0.380 nan 8.150 nan 0.000 0.444 1480 L N -0.157 120.336 121.223 -1.216 0.000 2.054 1480 L HA -0.270 4.070 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 2.817 57.107 54.840 -0.917 0.000 0.780 1480 L CB -0.764 41.022 42.059 -0.455 0.000 0.893 1480 L HN 0.486 nan 8.230 nan 0.000 0.438 1481 R N -1.278 119.038 120.500 -0.306 0.000 2.070 1481 R HA -0.119 4.221 4.340 -0.000 0.000 0.233 1481 R C 2.131 178.314 176.300 -0.195 0.000 1.137 1481 R CA 2.214 58.196 56.100 -0.195 0.000 0.945 1481 R CB -0.746 29.483 30.300 -0.119 0.000 0.845 1481 R HN 0.463 nan 8.270 nan 0.000 0.430 1482 T N -0.726 113.704 114.554 -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 1.238 63.241 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 0.257 nan 8.240 nan 0.000 0.479 1483 S N 1.304 116.867 115.700 -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 0.649 58.772 58.200 -0.129 0.000 0.948 1483 S CB -0.508 62.502 63.200 -0.316 0.000 0.759 1483 S HN 0.732 nan 8.310 nan 0.000 0.531 1484 I N -3.900 116.593 120.570 -0.128 0.000 4.390 1484 I HA 0.434 4.604 4.170 -0.000 0.000 0.334 1484 I C -0.007 176.024 176.117 -0.143 0.000 1.379 1484 I CA -0.224 60.979 61.300 -0.162 0.000 1.197 1484 I CB 0.207 38.028 38.000 -0.298 0.000 1.396 1484 I HN -0.162 nan 8.210 nan 0.000 0.511 1485 D N 2.530 122.841 120.400 -0.148 0.000 2.371 1485 D HA 0.174 4.814 4.640 -0.000 0.000 0.234 1485 D C 1.376 177.555 176.300 -0.201 0.000 1.049 1485 D CA 1.195 55.107 54.000 -0.147 0.000 0.907 1485 D CB 1.023 41.737 40.800 -0.143 0.000 0.891 1485 D HN 0.685 nan 8.370 nan 0.000 0.531 1486 A N -0.682 121.954 122.820 -0.307 0.000 1.713 1486 A HA 0.083 4.403 4.320 -0.000 0.000 0.164 1486 A C -0.478 176.875 177.584 -0.386 0.000 1.618 1486 A CA -0.417 51.347 52.037 -0.455 0.000 1.267 1486 A CB -0.245 18.278 19.000 -0.795 0.000 1.054 1486 A HN 0.069 nan 8.150 nan 0.000 0.713 1487 Y N 3.087 123.351 120.300 -0.059 0.000 2.697 1487 Y HA 0.285 4.835 4.550 -0.000 0.000 0.349 1487 Y C 0.437 176.305 175.900 -0.054 0.000 1.120 1487 Y CA 0.104 58.174 58.100 -0.049 0.000 1.468 1487 Y CB -0.349 38.075 38.460 -0.061 0.000 1.182 1487 Y HN 0.587 nan 8.280 nan 0.000 0.525 1488 D N -0.154 120.316 120.400 0.117 0.000 2.460 1488 D HA -0.026 4.614 4.640 -0.000 0.000 0.229 1488 D C -0.065 176.461 176.300 0.377 0.000 1.170 1488 D CA -0.343 53.774 54.000 0.195 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 1.008 119.888 118.700 0.300 0.000 2.645 1489 N HA 0.318 5.058 4.740 -0.000 0.000 0.233 1489 N C -1.237 174.515 175.510 0.404 0.000 1.058 1489 N CA -0.633 52.582 53.050 0.275 0.000 0.942 1489 N CB 0.184 38.764 38.487 0.155 0.000 1.210 1489 N HN 0.204 nan 8.380 nan 0.000 0.512 1490 F N 0.476 120.435 119.950 0.015 0.000 3.194 1490 F HA 0.282 4.809 4.527 -0.000 0.000 0.327 1490 F C -1.711 174.088 175.800 -0.002 0.000 1.141 1490 F CA -1.576 56.428 58.000 0.006 0.000 0.862 1490 F CB 0.379 39.381 39.000 0.004 0.000 1.447 1490 F HN -0.018 nan 8.300 nan 0.000 0.479 1491 D N 1.602 121.857 120.400 -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 53.695 54.000 -0.343 0.000 0.992 1491 D CB -0.637 40.100 40.800 -0.104 0.000 1.058 1491 D HN 0.491 nan 8.370 nan 0.000 0.516 1492 N N 5.447 123.564 118.700 -0.972 0.000 2.670 1492 N HA 0.047 4.787 4.740 -0.000 0.000 0.296 1492 N C 0.233 175.589 175.510 -0.257 0.000 1.216 1492 N CA 0.201 52.796 53.050 -0.758 0.000 1.123 1492 N CB 0.226 38.329 38.487 -0.641 0.000 1.459 1492 N HN 0.472 nan 8.380 nan 0.000 0.509 1493 I N -1.622 118.864 120.570 -0.140 0.000 1.266 1493 I HA -0.089 4.081 4.170 -0.000 0.000 0.343 1493 I C 1.663 177.841 176.117 0.101 0.000 0.395 1493 I CA -0.110 61.240 61.300 0.083 0.000 3.296 1493 I CB -1.129 36.898 38.000 0.045 0.000 1.588 1493 I HN 0.073 nan 8.210 nan 0.000 0.544 1494 S N 1.978 117.721 115.700 0.072 0.000 2.409 1494 S HA -0.240 4.229 4.470 -0.000 0.000 0.237 1494 S C 1.819 176.435 174.600 0.026 0.000 1.060 1494 S CA 2.324 60.566 58.200 0.071 0.000 1.052 1494 S CB -0.609 62.616 63.200 0.041 0.000 0.871 1494 S HN 0.452 nan 8.310 nan 0.000 0.465 1495 L N 1.835 123.049 121.223 -0.016 0.000 2.021 1495 L HA -0.185 4.155 4.340 -0.000 0.000 0.215 1495 L C 2.250 179.030 176.870 -0.150 0.000 1.074 1495 L CA 2.289 57.108 54.840 -0.034 0.000 0.760 1495 L CB -1.021 41.067 42.059 0.049 0.000 0.889 1495 L HN 0.294 nan 8.230 nan 0.000 0.433 1496 A N -1.850 120.740 122.820 -0.384 0.000 2.206 1496 A HA -0.102 4.218 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 0.966 52.573 52.037 -0.717 0.000 0.761 1496 A CB -0.435 17.257 19.000 -2.179 0.000 0.801 1496 A HN 0.710 nan 8.150 nan 0.000 0.473 1497 Q N -0.697 119.135 119.800 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 0.820 121.344 120.500 0.040 0.000 2.193 1498 R HA -0.028 4.312 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 56.590 56.100 0.049 0.000 0.995 1498 R CB 0.058 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 0.206 121.338 121.223 -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 1.412 56.046 54.840 -0.345 0.000 0.752 1499 L CB -0.701 41.240 42.059 -0.195 0.000 0.906 1499 L HN 0.310 nan 8.230 nan 0.000 0.436 1500 E N 1.418 121.621 120.200 0.005 0.000 2.118 1500 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 1500 E C 1.660 178.321 176.600 0.101 0.000 0.992 1500 E CA 1.145 57.597 56.400 0.087 0.000 0.804 1500 E CB 0.113 29.905 29.700 0.154 0.000 0.741 1500 E HN 0.417 nan 8.360 nan 0.000 0.458 1501 K N 0.026 120.496 120.400 0.116 0.000 2.616 1501 K HA -0.014 4.306 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 0.162 56.542 56.287 0.154 0.000 1.004 1501 K CB -0.138 32.448 32.500 0.144 0.000 0.810 1501 K HN 0.337 nan 8.250 nan 0.000 0.497 1502 H N 0.022 119.126 119.070 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 55.789 56.048 0.033 0.000 1.413 1502 H CB 1.236 31.020 29.762 0.037 0.000 1.631 1502 H HN 0.200 nan 8.280 nan 0.000 0.607 1503 E N 0.107 120.357 120.200 0.083 0.000 2.332 1503 E HA 0.097 4.447 4.350 -0.000 0.000 0.202 1503 E C 0.174 176.787 176.600 0.022 0.000 0.877 1503 E CA -0.077 56.339 56.400 0.028 0.000 0.979 1503 E CB 0.573 30.261 29.700 -0.020 0.000 0.969 1503 E HN 0.233 nan 8.360 nan 0.000 0.495 1504 L N 4.293 125.516 121.223 0.000 0.000 2.462 1504 L HA 0.104 4.444 4.340 -0.000 0.000 0.283 1504 L C 1.247 178.135 176.870 0.030 0.000 1.166 1504 L CA -0.162 54.666 54.840 -0.020 0.000 0.964 1504 L CB 0.431 42.433 42.059 -0.095 0.000 1.294 1504 L HN 0.428 nan 8.230 nan 0.000 0.449 1505 I N 0.854 121.443 120.570 0.031 0.000 2.576 1505 I HA -0.308 3.862 4.170 -0.000 0.000 0.263 1505 I C 1.600 177.763 176.117 0.078 0.000 1.183 1505 I CA 1.224 62.556 61.300 0.053 0.000 1.432 1505 I CB -0.943 37.072 38.000 0.024 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 2.072 178.903 176.600 0.386 0.000 1.027 1506 E CA 2.196 58.656 56.400 0.099 0.000 0.830 1506 E CB -0.374 29.325 29.700 -0.002 0.000 0.751 1506 E HN 0.684 nan 8.360 nan 0.000 0.456 1507 F N -0.541 119.443 119.950 0.057 0.000 2.698 1507 F HA 0.133 4.660 4.527 -0.000 0.000 0.295 1507 F C 2.351 178.128 175.800 -0.038 0.000 1.124 1507 F CA -0.320 57.679 58.000 -0.002 0.000 1.426 1507 F CB 0.204 39.162 39.000 -0.070 0.000 1.120 1507 F HN -0.170 nan 8.300 nan 0.000 0.583 1508 R N 0.198 120.810 120.500 0.187 0.000 2.276 1508 R HA -0.016 4.324 4.340 -0.000 0.000 0.203 1508 R C 2.022 178.380 176.300 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 30.349 30.300 0.098 0.000 0.900 1508 R HN 0.195 nan 8.270 nan 0.000 0.469 1509 R N -0.030 120.538 120.500 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 0.530 56.686 56.100 0.094 0.000 1.029 1509 R CB 0.345 30.687 30.300 0.071 0.000 0.959 1509 R HN 0.116 nan 8.270 nan 0.000 0.480 1510 I N -0.016 120.624 120.570 0.117 0.000 2.867 1510 I HA 0.035 4.205 4.170 -0.000 0.000 0.265 1510 I C 2.227 178.375 176.117 0.052 0.000 1.162 1510 I CA 0.561 61.931 61.300 0.116 0.000 1.471 1510 I CB -0.089 37.933 38.000 0.037 0.000 1.123 1510 I HN 0.142 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 -0.042 0.000 1.169 1511 A CA 1.829 53.769 52.037 -0.163 0.000 0.635 1511 A CB -0.576 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 -1.068 121.798 122.820 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 1.683 53.784 52.037 0.106 0.000 0.620 1512 A CB -0.832 18.218 19.000 0.082 0.000 0.822 1512 A HN 0.786 nan 8.150 nan 0.000 0.443 1513 Y N 0.180 120.482 120.300 0.004 0.000 2.092 1513 Y HA -0.148 4.402 4.550 -0.000 0.000 0.282 1513 Y C 2.031 177.932 175.900 0.001 0.000 1.126 1513 Y CA 1.682 59.782 58.100 0.001 0.000 1.111 1513 Y CB -0.808 37.646 38.460 -0.011 0.000 0.987 1513 Y HN 0.222 nan 8.280 nan 0.000 0.489 1514 L N -0.811 120.150 121.223 -0.436 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 -0.358 0.000 1.077 1514 L CA 1.915 56.460 54.840 -0.492 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 0.434 120.269 119.950 -0.193 0.000 2.206 1515 F HA -0.181 4.346 4.527 -0.000 0.000 0.298 1515 F C 2.551 178.253 175.800 -0.163 0.000 1.090 1515 F CA 1.746 59.658 58.000 -0.146 0.000 1.323 1515 F CB -0.600 38.337 39.000 -0.105 0.000 1.028 1515 F HN 0.221 nan 8.300 nan 0.000 0.492 1516 K N 0.464 120.852 120.400 -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 -1.169 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 2.959 111.544 108.800 -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 0.035 118.765 118.700 0.050 0.000 2.644 1518 N HA -0.235 4.505 4.740 -0.000 0.000 0.248 1518 N C -0.051 175.479 175.510 0.034 0.000 1.150 1518 N CA 1.709 54.795 53.050 0.060 0.000 0.727 1518 N CB -0.576 37.940 38.487 0.048 0.000 1.091 1518 N HN 0.690 nan 8.380 nan 0.000 0.556 1519 N N -0.335 118.382 118.700 0.028 0.000 2.675 1519 N HA 0.221 4.961 4.740 -0.000 0.000 0.254 1519 N C 0.035 175.582 175.510 0.062 0.000 1.224 1519 N CA -0.428 52.649 53.050 0.045 0.000 0.777 1519 N CB 0.772 39.282 38.487 0.039 0.000 1.256 1519 N HN 0.164 nan 8.380 nan 0.000 0.531 1520 R N 0.099 120.637 120.500 0.064 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 0.798 56.919 56.100 0.035 0.000 0.995 1520 R CB -0.178 30.151 30.300 0.048 0.000 0.870 1520 R HN 0.592 nan 8.270 nan 0.000 0.463 1521 W N 1.980 123.225 121.300 -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 1.438 58.722 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 0.338 120.813 120.400 0.124 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 -0.389 0.000 1.051 1522 K CA 2.193 58.389 56.287 -0.151 0.000 0.953 1522 K CB -1.601 30.925 32.500 0.044 0.000 0.727 1522 K HN 0.410 nan 8.250 nan 0.000 0.445 1523 Q N 1.051 120.671 119.800 -0.299 0.000 2.156 1523 Q HA -0.231 4.109 4.340 -0.000 0.000 0.211 1523 Q C 2.014 177.620 176.000 -0.658 0.000 0.995 1523 Q CA 2.843 58.396 55.803 -0.416 0.000 0.877 1523 Q CB -0.044 28.413 28.738 -0.468 0.000 0.920 1523 Q HN 0.456 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 1.814 176.097 174.600 -0.528 0.000 1.033 1524 S CA 0.805 58.630 58.200 -0.625 0.000 0.974 1524 S CB -0.681 62.292 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 0.098 4.218 4.120 -0.000 0.000 0.274 1525 V C -0.071 175.679 176.094 -0.574 0.000 1.207 1525 V CA 1.236 63.082 62.300 -0.757 0.000 1.183 1525 V CB -1.036 29.950 31.823 -1.394 0.000 0.837 1525 V HN 0.479 nan 8.190 nan 0.000 0.532 1526 E N -0.759 119.153 120.200 -0.481 0.000 3.386 1526 E HA 0.374 4.724 4.350 -0.000 0.000 0.236 1526 E C -0.244 176.181 176.600 -0.291 0.000 1.227 1526 E CA -0.118 56.070 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 0.463 4.803 4.340 -0.000 0.000 0.167 1527 L C 0.637 177.364 176.870 -0.240 0.000 1.203 1527 L CA 0.257 54.932 54.840 -0.274 0.000 0.857 1527 L CB -0.386 41.451 42.059 -0.370 0.000 1.368 1527 L HN 0.565 nan 8.230 nan 0.000 0.534 1528 C N -0.608 118.509 119.300 -0.305 0.000 0.168 1528 C HA -0.244 4.216 4.460 -0.000 0.000 0.017 1528 C C 2.278 177.175 174.990 -0.155 0.000 0.171 1528 C CA -0.068 58.821 59.018 -0.216 0.000 0.499 1528 C CB -1.245 26.401 27.740 -0.157 0.000 3.212 1528 C HN 0.724 nan 8.230 nan 0.000 1.118 1529 K N 1.136 121.493 120.400 -0.072 0.000 2.001 1529 K HA -0.211 4.109 4.320 -0.000 0.000 0.223 1529 K C 1.085 177.649 176.600 -0.059 0.000 1.055 1529 K CA 2.287 58.559 56.287 -0.026 0.000 0.965 1529 K CB -0.391 32.103 32.500 -0.010 0.000 0.730 1529 K HN 0.714 nan 8.250 nan 0.000 0.449 1530 K N 1.154 121.520 120.400 -0.058 0.000 2.344 1530 K HA -0.129 4.191 4.320 -0.000 0.000 0.260 1530 K C -0.299 176.254 176.600 -0.078 0.000 0.988 1530 K CA 0.628 56.879 56.287 -0.059 0.000 0.909 1530 K CB 0.366 32.842 32.500 -0.039 0.000 0.968 1530 K HN 0.173 nan 8.250 nan 0.000 0.505 1531 D N -0.098 120.265 120.400 -0.063 0.000 2.931 1531 D HA -0.185 4.455 4.640 -0.000 0.000 0.228 1531 D C -0.653 175.604 176.300 -0.071 0.000 1.180 1531 D CA 1.313 55.282 54.000 -0.052 0.000 0.784 1531 D CB -1.161 39.611 40.800 -0.046 0.000 1.093 1531 D HN 0.358 nan 8.370 nan 0.000 0.421 1532 S N -0.020 115.610 115.700 -0.118 0.000 2.420 1532 S HA 0.476 4.946 4.470 -0.000 0.000 0.313 1532 S C -0.579 173.900 174.600 -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 6.884 128.022 121.223 -0.142 0.000 2.287 1533 L HA 0.491 4.831 4.340 -0.000 0.000 0.287 1533 L C -0.179 176.621 176.870 -0.117 0.000 1.022 1533 L CA -0.426 54.305 54.840 -0.183 0.000 0.814 1533 L CB 0.550 42.568 42.059 -0.069 0.000 1.217 1533 L HN 0.738 nan 8.230 nan 0.000 0.420 1534 Y N 3.705 124.023 120.300 0.031 0.000 2.736 1534 Y HA -0.142 4.408 4.550 -0.000 0.000 0.298 1534 Y C 1.508 177.361 175.900 -0.079 0.000 1.156 1534 Y CA 0.610 58.719 58.100 0.015 0.000 1.384 1534 Y CB -0.602 37.850 38.460 -0.014 0.000 0.976 1534 Y HN 0.554 nan 8.280 nan 0.000 0.556 1535 K N -0.370 120.042 120.400 0.020 0.000 2.183 1535 K HA 0.005 4.325 4.320 -0.000 0.000 0.218 1535 K C 1.513 178.050 176.600 -0.106 0.000 1.025 1535 K CA 0.836 57.086 56.287 -0.062 0.000 0.944 1535 K CB -0.868 31.609 32.500 -0.037 0.000 0.936 1535 K HN 0.068 nan 8.250 nan 0.000 0.460 1536 D N 1.237 121.582 120.400 -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 0.832 54.758 54.000 -0.124 0.000 0.867 1536 D CB 0.107 40.927 40.800 0.033 0.000 0.929 1536 D HN 0.318 nan 8.370 nan 0.000 0.492 1537 A N -0.246 122.245 122.820 -0.549 0.000 2.066 1537 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 1537 A C 1.709 178.953 177.584 -0.566 0.000 1.157 1537 A CA 0.743 52.164 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 -0.556 118.931 119.600 -0.187 0.000 2.505 1538 M HA 0.143 4.623 4.480 -0.000 0.000 0.230 1538 M C 0.813 177.163 176.300 0.082 0.000 1.153 1538 M CA 0.591 55.947 55.300 0.094 0.000 0.997 1538 M CB 0.141 32.794 32.600 0.088 0.000 1.606 1538 M HN 0.373 nan 8.290 nan 0.000 0.481 1539 Q N -1.226 118.515 119.800 -0.098 0.000 2.279 1539 Q HA 0.108 4.448 4.340 -0.000 0.000 0.261 1539 Q C 1.386 177.425 176.000 0.066 0.000 0.796 1539 Q CA 0.545 56.361 55.803 0.022 0.000 0.971 1539 Q CB -0.031 28.726 28.738 0.032 0.000 1.179 1539 Q HN 0.652 nan 8.270 nan 0.000 0.505 1540 Y N -0.753 119.598 120.300 0.084 0.000 2.546 1540 Y HA 0.532 5.082 4.550 -0.000 0.000 0.287 1540 Y C 1.728 177.639 175.900 0.019 0.000 1.158 1540 Y CA 0.093 58.222 58.100 0.049 0.000 1.307 1540 Y CB -0.843 37.642 38.460 0.040 0.000 1.036 1540 Y HN -0.020 nan 8.280 nan 0.000 0.532 1541 A N 0.375 123.373 122.820 0.295 0.000 1.878 1541 A HA -0.083 4.237 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 1.294 53.420 52.037 0.148 0.000 0.619 1541 A CB -1.276 17.752 19.000 0.047 0.000 0.837 1541 A HN 0.426 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 1.720 176.164 174.600 -0.259 0.000 1.064 1542 S CA 2.285 60.429 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 0.658 nan 8.310 nan 0.000 0.448 1543 E N 0.963 121.089 120.200 -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 0.297 56.623 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 0.446 116.106 115.700 -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 0.311 58.492 58.200 -0.031 0.000 0.983 1544 S CB 0.652 63.844 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 -0.269 176.331 176.600 -0.001 0.000 1.440 1545 K CA 0.035 56.309 56.287 -0.021 0.000 0.995 1545 K CB 0.364 32.855 32.500 -0.016 0.000 1.186 1545 K HN 0.442 nan 8.250 nan 0.000 0.593 1546 D N 1.858 122.274 120.400 0.026 0.000 3.008 1546 D HA 0.030 4.670 4.640 -0.000 0.000 0.242 1546 D C 0.448 176.770 176.300 0.037 0.000 1.222 1546 D CA 0.478 54.505 54.000 0.044 0.000 0.883 1546 D CB 0.022 40.886 40.800 0.106 0.000 1.110 1546 D HN 0.064 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 1.556 176.271 174.700 0.025 0.000 1.682 1547 T CA 2.134 64.239 62.100 0.008 0.000 0.955 1547 T CB -0.563 68.317 68.868 0.021 0.000 0.784 1547 T HN 0.424 nan 8.240 nan 0.000 0.441 1548 E N 1.378 121.607 120.200 0.047 0.000 2.236 1548 E HA -0.159 4.191 4.350 -0.000 0.000 0.205 1548 E C 2.089 178.739 176.600 0.083 0.000 1.028 1548 E CA 0.752 57.193 56.400 0.068 0.000 0.827 1548 E CB -0.747 28.992 29.700 0.067 0.000 0.735 1548 E HN 0.402 nan 8.360 nan 0.000 0.470 1549 L N 0.330 121.596 121.223 0.071 0.000 2.351 1549 L HA -0.136 4.204 4.340 -0.000 0.000 0.220 1549 L C 2.175 179.088 176.870 0.072 0.000 1.127 1549 L CA 1.419 56.303 54.840 0.073 0.000 0.786 1549 L CB -1.231 40.864 42.059 0.061 0.000 0.914 1549 L HN 0.114 nan 8.230 nan 0.000 0.443 1550 A N -0.448 122.391 122.820 0.031 0.000 1.873 1550 A HA -0.197 4.123 4.320 -0.000 0.000 0.215 1550 A C 2.147 179.943 177.584 0.354 0.000 1.186 1550 A CA 1.293 53.338 52.037 0.013 0.000 0.616 1550 A CB -0.338 18.629 19.000 -0.055 0.000 0.823 1550 A HN 0.454 nan 8.150 nan 0.000 0.442 1551 E N -0.360 119.991 120.200 0.252 0.000 2.153 1551 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 1551 E C 1.975 178.730 176.600 0.258 0.000 0.988 1551 E CA 1.000 57.550 56.400 0.250 0.000 0.811 1551 E CB -0.123 29.674 29.700 0.162 0.000 0.746 1551 E HN 0.618 nan 8.360 nan 0.000 0.466 1552 E N 0.799 121.129 120.200 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 0.854 57.368 56.400 0.191 0.000 0.816 1552 E CB -0.265 29.504 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 -0.253 4.087 4.340 -0.000 0.000 0.215 1553 L C 2.754 180.132 176.870 0.846 0.000 1.072 1553 L CA 0.850 56.034 54.840 0.574 0.000 0.758 1553 L CB -0.547 41.935 42.059 0.705 0.000 0.889 1553 L HN 0.165 nan 8.230 nan 0.000 0.433 1554 L N -0.091 121.695 121.223 0.939 0.000 1.990 1554 L HA -0.293 4.047 4.340 -0.000 0.000 0.213 1554 L C 2.638 179.738 176.870 0.383 0.000 1.072 1554 L CA 1.946 57.198 54.840 0.686 0.000 0.755 1554 L CB -0.711 41.568 42.059 0.366 0.000 0.889 1554 L HN 0.273 nan 8.230 nan 0.000 0.432 1555 Q N -1.332 118.650 119.800 0.304 0.000 2.173 1555 Q HA -0.303 4.037 4.340 -0.000 0.000 0.208 1555 Q C 1.959 178.078 176.000 0.198 0.000 0.989 1555 Q CA 2.645 58.569 55.803 0.200 0.000 0.872 1555 Q CB -0.739 28.119 28.738 0.199 0.000 0.909 1555 Q HN 0.682 nan 8.270 nan 0.000 0.420 1556 W N -0.489 120.868 121.300 0.096 0.000 2.409 1556 W HA -0.070 4.590 4.660 -0.000 0.000 0.299 1556 W C 1.277 177.799 176.519 0.005 0.000 1.203 1556 W CA 0.939 58.289 57.345 0.010 0.000 1.298 1556 W CB -0.763 28.638 29.460 -0.099 0.000 1.127 1556 W HN 0.140 nan 8.180 nan 0.000 0.528 1557 F N 1.013 120.474 119.950 -0.816 0.000 2.085 1557 F HA -0.312 4.215 4.527 0.000 0.000 0.299 1557 F C 2.394 177.814 175.800 -0.632 0.000 1.096 1557 F CA 2.283 59.625 58.000 -1.097 0.000 1.227 1557 F CB -1.601 37.056 39.000 -0.571 0.000 0.983 1557 F HN -0.011 nan 8.300 nan 0.000 0.482 1558 L N 0.236 121.360 121.223 -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 -0.955 41.009 42.059 -0.159 0.000 0.890 1558 L HN 0.206 nan 8.230 nan 0.000 0.431 1559 Q N -1.347 118.402 119.800 -0.085 0.000 2.436 1559 Q HA -0.091 4.249 4.340 -0.000 0.000 0.209 1559 Q C 1.157 177.148 176.000 -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 -0.876 119.256 120.200 -0.112 0.000 2.617 1560 E HA 0.093 4.443 4.350 -0.000 0.000 0.208 1560 E C -0.371 176.185 176.600 -0.073 0.000 0.888 1560 E CA 0.287 56.671 56.400 -0.027 0.000 1.485 1560 E CB 1.140 30.958 29.700 0.195 0.000 1.482 1560 E HN 0.030 nan 8.360 nan 0.000 0.813 1561 E N -0.342 119.714 120.200 -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 1.215 30.812 29.700 -0.173 0.000 1.382 1561 E HN -0.316 nan 8.360 nan 0.000 0.459 1562 K N 0.581 120.939 120.400 -0.070 0.000 2.425 1562 K HA 0.235 4.555 4.320 -0.000 0.000 0.201 1562 K C 0.911 177.451 176.600 -0.099 0.000 1.128 1562 K CA -0.046 56.189 56.287 -0.085 0.000 1.000 1562 K CB 0.411 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 2.691 123.143 120.500 -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 0.223 56.268 56.100 -0.092 0.000 1.158 1563 R CB -0.054 30.216 30.300 -0.050 0.000 1.057 1563 R HN 0.282 nan 8.270 nan 0.000 0.489 1564 E N -0.965 119.095 120.200 -0.233 0.000 2.187 1564 E HA -0.293 4.057 4.350 -0.000 0.000 0.199 1564 E C 1.367 177.694 176.600 -0.455 0.000 1.004 1564 E CA 1.549 57.690 56.400 -0.432 0.000 0.813 1564 E CB -0.541 29.001 29.700 -0.263 0.000 0.736 1564 E HN 0.362 nan 8.360 nan 0.000 0.468 1565 C N 0.848 119.981 119.300 -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 59.888 59.018 -0.251 0.000 1.764 1565 C CB -1.467 26.184 27.740 -0.148 0.000 2.039 1565 C HN 0.503 nan 8.230 nan 0.000 0.444 1566 F N 1.925 121.673 119.950 -0.338 0.000 2.236 1566 F HA -0.028 4.499 4.527 -0.000 0.000 0.302 1566 F C 2.079 177.612 175.800 -0.445 0.000 1.073 1566 F CA 1.396 59.209 58.000 -0.311 0.000 1.336 1566 F CB -0.762 38.122 39.000 -0.193 0.000 1.040 1566 F HN 0.269 nan 8.300 nan 0.000 0.507 1567 G N -0.415 108.072 108.800 -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 -1.187 0.000 0.836 1567 G HN 0.474 nan 8.290 nan 0.000 0.580 1568 A N -0.942 121.138 122.820 -1.235 0.000 2.214 1568 A HA -0.119 4.201 4.320 -0.000 0.000 0.221 1568 A C 2.364 179.530 177.584 -0.696 0.000 1.167 1568 A CA 2.080 53.570 52.037 -0.912 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 -2.371 116.459 119.300 -0.783 0.000 2.587 1569 C HA 0.208 4.668 4.460 -0.000 0.000 0.287 1569 C C 2.362 176.959 174.990 -0.656 0.000 1.374 1569 C CA 0.500 58.901 59.018 -1.030 0.000 1.770 1569 C CB -1.264 25.891 27.740 -0.976 0.000 2.137 1569 C HN 0.701 nan 8.230 nan 0.000 0.550 1570 L N 0.371 121.320 121.223 -0.457 0.000 2.261 1570 L HA -0.124 4.216 4.340 -0.000 0.000 0.216 1570 L C 2.156 179.091 176.870 0.109 0.000 1.114 1570 L CA 1.555 56.275 54.840 -0.201 0.000 0.777 1570 L CB -0.375 41.637 42.059 -0.078 0.000 0.910 1570 L HN 0.182 nan 8.230 nan 0.000 0.440 1571 F N 0.409 120.249 119.950 -0.182 0.000 2.031 1571 F HA -0.234 4.293 4.527 -0.000 0.000 0.295 1571 F C 2.857 178.635 175.800 -0.037 0.000 1.133 1571 F CA 1.872 59.834 58.000 -0.063 0.000 1.188 1571 F CB -1.597 37.361 39.000 -0.069 0.000 0.974 1571 F HN 0.234 nan 8.300 nan 0.000 0.473 1572 T N -2.209 112.413 114.554 0.114 0.000 2.684 1572 T HA -0.266 4.084 4.350 -0.000 0.000 0.267 1572 T C 2.183 176.945 174.700 0.104 0.000 1.036 1572 T CA 1.620 63.786 62.100 0.109 0.000 1.148 1572 T CB -1.567 67.402 68.868 0.167 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 -0.105 4.355 4.460 -0.000 0.000 0.279 1573 C C 1.269 176.221 174.990 -0.063 0.000 1.229 1573 C CA -0.160 58.837 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 2.137 122.420 120.300 -0.027 0.000 2.624 1574 Y HA 0.213 4.763 4.550 0.000 0.000 0.354 1574 Y C 0.790 176.687 175.900 -0.005 0.000 1.051 1574 Y CA 0.567 58.657 58.100 -0.016 0.000 1.377 1574 Y CB -0.821 37.635 38.460 -0.007 0.000 1.168 1574 Y HN 0.474 nan 8.280 nan 0.000 0.525 1575 D N 0.799 121.287 120.400 0.146 0.000 3.899 1575 D HA -0.328 4.312 4.640 -0.000 0.000 0.146 1575 D C -1.266 175.087 176.300 0.088 0.000 0.820 1575 D CA 1.844 55.907 54.000 0.104 0.000 1.056 1575 D CB -0.733 40.149 40.800 0.136 0.000 0.474 1575 D HN 0.338 nan 8.370 nan 0.000 0.457 1576 L N -0.141 121.144 121.223 0.103 0.000 2.588 1576 L HA 0.472 4.812 4.340 -0.000 0.000 0.263 1576 L C -0.642 176.288 176.870 0.099 0.000 0.935 1576 L CA -0.409 54.493 54.840 0.104 0.000 0.891 1576 L CB 1.602 43.717 42.059 0.093 0.000 1.318 1576 L HN 0.523 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 0.734 177.678 176.870 0.123 0.000 1.169 1577 L CA -0.315 54.579 54.840 0.090 0.000 0.986 1577 L CB 0.151 42.240 42.059 0.051 0.000 1.377 1577 L HN 0.415 nan 8.230 nan 0.000 0.575 1578 R N 2.514 123.108 120.500 0.157 0.000 2.755 1578 R HA 0.459 4.799 4.340 -0.000 0.000 0.268 1578 R C -2.411 173.978 176.300 0.149 0.000 1.295 1578 R CA -1.790 54.418 56.100 0.180 0.000 1.379 1578 R CB 0.567 31.000 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 0.749 32.490 31.700 0.067 0.000 1.545 1580 D N -1.079 119.354 120.400 0.055 0.000 2.117 1580 D HA -0.102 4.538 4.640 -0.000 0.000 0.198 1580 D C 2.000 178.252 176.300 -0.080 0.000 0.982 1580 D CA 0.950 54.965 54.000 0.024 0.000 0.828 1580 D CB -1.114 39.710 40.800 0.040 0.000 0.967 1580 D HN -0.085 nan 8.370 nan 0.000 0.464 1581 V N 1.080 120.965 119.914 -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 1.615 63.870 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 -0.765 119.121 119.914 -0.046 0.000 2.446 1582 V HA -0.093 4.027 4.120 -0.000 0.000 0.244 1582 V C 2.204 178.258 176.094 -0.066 0.000 1.039 1582 V CA 1.323 63.612 62.300 -0.019 0.000 1.045 1582 V CB -0.499 31.377 31.823 0.089 0.000 0.681 1582 V HN 0.439 nan 8.190 nan 0.000 0.459 1583 L N 0.254 121.468 121.223 -0.015 0.000 2.261 1583 L HA -0.217 4.123 4.340 -0.000 0.000 0.216 1583 L C 2.474 178.822 176.870 -0.870 0.000 1.114 1583 L CA 1.937 56.855 54.840 0.129 0.000 0.777 1583 L CB -0.405 41.857 42.059 0.337 0.000 0.910 1583 L HN 0.496 nan 8.230 nan 0.000 0.440 1584 E N -0.332 119.044 120.200 -1.374 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 0.908 55.801 56.400 -2.512 0.000 0.826 1584 E CB 0.173 28.913 29.700 -1.600 0.000 0.788 1584 E HN 0.249 nan 8.360 nan 0.000 0.461 1585 T N 0.975 115.189 114.554 -0.567 0.000 2.774 1585 T HA -0.295 4.055 4.350 -0.000 0.000 0.264 1585 T C 1.690 176.311 174.700 -0.131 0.000 1.037 1585 T CA 1.637 63.612 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 0.339 nan 8.240 nan 0.000 0.483 1586 A N -0.129 122.500 122.820 -0.319 0.000 2.072 1586 A HA 0.077 4.397 4.320 -0.000 0.000 0.216 1586 A C 1.939 179.509 177.584 -0.024 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 -0.012 0.000 0.816 1586 A HN 0.576 nan 8.150 nan 0.000 0.458 1587 W N 0.311 121.456 121.300 -0.259 0.000 2.452 1587 W HA 0.038 4.698 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 0.761 57.982 57.345 -0.206 0.000 1.350 1587 W CB -1.207 28.122 29.460 -0.219 0.000 1.148 1587 W HN 0.439 nan 8.180 nan 0.000 0.498 1588 R N -0.361 120.245 120.500 0.176 0.000 2.193 1588 R HA -0.123 4.217 4.340 -0.000 0.000 0.229 1588 R C 1.127 177.471 176.300 0.073 0.000 1.110 1588 R CA 1.378 57.529 56.100 0.085 0.000 0.988 1588 R CB -0.463 29.852 30.300 0.025 0.000 0.871 1588 R HN 0.280 nan 8.270 nan 0.000 0.458 1589 H N -0.462 118.613 119.070 0.008 0.000 3.591 1589 H HA 0.104 4.660 4.556 -0.000 0.000 0.197 1589 H C 1.449 176.798 175.328 0.034 0.000 1.601 1589 H CA 0.012 56.066 56.048 0.009 0.000 1.631 1589 H CB 0.461 30.215 29.762 -0.012 0.000 0.864 1589 H HN 0.113 nan 8.280 nan 0.000 0.846 1590 N N 1.686 120.501 118.700 0.192 0.000 2.133 1590 N HA -0.271 4.469 4.740 -0.000 0.000 0.193 1590 N C 1.537 177.127 175.510 0.134 0.000 1.012 1590 N CA 1.734 54.841 53.050 0.094 0.000 0.871 1590 N CB -0.123 38.370 38.487 0.010 0.000 1.011 1590 N HN 0.734 nan 8.380 nan 0.000 0.435 1591 I N -0.825 119.850 120.570 0.174 0.000 4.907 1591 I HA -0.402 3.768 4.170 -0.000 0.000 0.038 1591 I C 0.484 176.747 176.117 0.244 0.000 0.635 1591 I CA 1.516 62.934 61.300 0.197 0.000 0.208 1591 I CB -0.796 37.276 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 0.148 0.000 2.330 1592 M HA -0.129 4.351 4.480 -0.000 0.000 0.436 1592 M C 0.246 176.613 176.300 0.111 0.000 1.536 1592 M CA 2.276 57.644 55.300 0.114 0.000 0.842 1592 M CB -1.170 31.474 32.600 0.072 0.000 2.060 1592 M HN 0.668 nan 8.290 nan 0.000 0.511 1593 D N 3.112 123.572 120.400 0.100 0.000 2.839 1593 D HA -0.278 4.362 4.640 -0.000 0.000 0.194 1593 D C 0.350 176.716 176.300 0.110 0.000 0.988 1593 D CA 1.446 55.486 54.000 0.068 0.000 1.009 1593 D CB -2.121 38.694 40.800 0.025 0.000 1.067 1593 D HN 0.741 nan 8.370 nan 0.000 0.444 1594 F N 0.807 120.780 119.950 0.039 0.000 2.619 1594 F HA 0.390 4.917 4.527 -0.000 0.000 0.293 1594 F C 1.237 177.080 175.800 0.072 0.000 1.119 1594 F CA 0.798 58.842 58.000 0.074 0.000 1.445 1594 F CB 0.421 39.511 39.000 0.150 0.000 1.119 1594 F HN 0.019 nan 8.300 nan 0.000 0.573 1595 A N 1.503 124.406 122.820 0.137 0.000 2.671 1595 A HA 0.406 4.726 4.320 -0.000 0.000 0.306 1595 A C 0.352 177.921 177.584 -0.026 0.000 1.473 1595 A CA -0.049 52.018 52.037 0.050 0.000 1.155 1595 A CB -0.381 18.665 19.000 0.077 0.000 1.123 1595 A HN 0.595 nan 8.150 nan 0.000 0.545 1596 M N 0.765 120.315 119.600 -0.083 0.000 2.102 1596 M HA 0.204 4.684 4.480 -0.000 0.000 0.199 1596 M C -1.869 174.441 176.300 0.017 0.000 1.558 1596 M CA -0.269 55.013 55.300 -0.030 0.000 0.982 1596 M CB -0.801 31.783 32.600 -0.027 0.000 1.521 1596 M HN 0.284 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 64.350 63.100 -0.260 0.000 0.756 1597 P CB 0.202 31.677 31.700 -0.376 0.000 0.674 1598 Y N 2.002 122.253 120.300 -0.083 0.000 3.147 1598 Y HA 0.102 4.652 4.550 -0.000 0.000 0.219 1598 Y C 1.921 177.792 175.900 -0.049 0.000 1.021 1598 Y CA 0.438 58.561 58.100 0.038 0.000 1.440 1598 Y CB -0.567 37.951 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 1.849 177.613 175.800 -0.061 0.000 1.089 1599 F CA 0.929 58.893 58.000 -0.060 0.000 1.295 1599 F CB -1.583 37.376 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 -0.956 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 62.396 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 -0.369 119.293 119.800 -0.230 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 -0.199 28.458 28.738 -0.135 0.000 1.032 1601 Q HN 0.285 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 2.179 64.444 62.300 -0.058 0.000 1.051 1602 V CB -0.715 31.058 31.823 -0.083 0.000 0.658 1602 V HN 0.552 nan 8.190 nan 0.000 0.455 1603 M N -1.633 117.942 119.600 -0.042 0.000 2.447 1603 M HA 0.054 4.534 4.480 -0.000 0.000 0.264 1603 M C 1.965 178.326 176.300 0.100 0.000 1.095 1603 M CA 1.412 56.719 55.300 0.012 0.000 1.125 1603 M CB -0.458 32.143 32.600 0.002 0.000 1.389 1603 M HN 0.051 nan 8.290 nan 0.000 0.459 1604 K N 1.458 121.888 120.400 0.049 0.000 1.973 1604 K HA -0.048 4.272 4.320 -0.000 0.000 0.210 1604 K C 1.862 178.499 176.600 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 -0.373 119.861 120.200 0.057 0.000 2.478 1605 E HA -0.139 4.211 4.350 -0.000 0.000 0.198 1605 E C 1.524 178.170 176.600 0.076 0.000 1.046 1605 E CA 0.373 56.801 56.400 0.047 0.000 0.870 1605 E CB 0.106 29.820 29.700 0.022 0.000 0.818 1605 E HN 0.287 nan 8.360 nan 0.000 0.527 1606 Y N 0.451 120.743 120.300 -0.013 0.000 2.220 1606 Y HA -0.070 4.480 4.550 -0.000 0.000 0.291 1606 Y C 1.623 177.524 175.900 0.001 0.000 1.129 1606 Y CA 1.108 59.205 58.100 -0.006 0.000 1.161 1606 Y CB 0.240 38.700 38.460 -0.000 0.000 0.997 1606 Y HN -0.056 nan 8.280 nan 0.000 0.522 1607 L N -0.251 121.072 121.223 0.166 0.000 2.715 1607 L HA 0.088 4.428 4.340 -0.000 0.000 0.238 1607 L C 0.634 177.529 176.870 0.042 0.000 1.212 1607 L CA 0.510 55.405 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 -2.895 111.671 114.554 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 -0.181 61.920 62.100 0.002 0.000 0.874 1608 T CB 0.751 69.624 68.868 0.008 0.000 1.214 1608 T HN 0.088 nan 8.240 nan 0.000 0.536 1609 K N 0.725 121.090 120.400 -0.057 0.000 2.262 1609 K HA 0.259 4.579 4.320 -0.000 0.000 0.200 1609 K C 2.043 178.578 176.600 -0.109 0.000 1.058 1609 K CA 0.380 56.611 56.287 -0.094 0.000 0.974 1609 K CB 0.086 32.499 32.500 -0.145 0.000 0.910 1609 K HN 0.038 nan 8.250 nan 0.000 0.484 1610 V N 2.862 122.696 119.914 -0.133 0.000 2.720 1610 V HA -0.233 3.887 4.120 -0.000 0.000 0.256 1610 V C 1.684 177.745 176.094 -0.055 0.000 1.082 1610 V CA 2.557 64.793 62.300 -0.106 0.000 1.101 1610 V CB -0.271 31.499 31.823 -0.089 0.000 0.693 1610 V HN 0.387 nan 8.190 nan 0.000 0.479 1611 D N -0.729 119.647 120.400 -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 1.335 55.322 54.000 -0.022 0.000 0.846 1611 D CB -0.228 40.566 40.800 -0.011 0.000 0.962 1611 D HN 0.456 nan 8.370 nan 0.000 0.490 1612 K N 0.182 120.561 120.400 -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 57.825 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 1.293 122.492 121.223 -0.040 0.000 2.127 1613 L HA -0.234 4.106 4.340 -0.000 0.000 0.211 1613 L C 1.973 178.828 176.870 -0.026 0.000 1.089 1613 L CA 1.004 55.823 54.840 -0.035 0.000 0.757 1613 L CB -0.619 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 0.466 120.851 120.400 -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 1.551 55.541 54.000 -0.016 0.000 0.826 1614 D CB -0.046 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 0.787 123.599 122.820 -0.013 0.000 1.940 1615 A HA -0.167 4.153 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 1.786 53.817 52.037 -0.010 0.000 0.631 1615 A CB -0.549 18.445 19.000 -0.010 0.000 0.814 1615 A HN 0.134 nan 8.150 nan 0.000 0.446 1616 S N -0.770 114.922 115.700 -0.013 0.000 2.353 1616 S HA -0.211 4.259 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 1.695 59.887 58.200 -0.013 0.000 1.025 1616 S CB -0.276 62.914 63.200 -0.016 0.000 0.902 1616 S HN 0.802 nan 8.310 nan 0.000 0.440 1617 E N 0.796 120.990 120.200 -0.011 0.000 2.208 1617 E HA -0.063 4.287 4.350 -0.000 0.000 0.193 1617 E C 1.872 178.468 176.600 -0.006 0.000 0.988 1617 E CA 0.959 57.354 56.400 -0.008 0.000 0.828 1617 E CB -0.043 29.652 29.700 -0.008 0.000 0.763 1617 E HN 0.358 nan 8.360 nan 0.000 0.478 1618 S N 0.897 116.594 115.700 -0.006 0.000 2.353 1618 S HA -0.137 4.333 4.470 -0.000 0.000 0.222 1618 S C 1.757 176.354 174.600 -0.004 0.000 1.035 1618 S CA 0.890 59.087 58.200 -0.004 0.000 1.025 1618 S CB -0.193 63.005 63.200 -0.004 0.000 0.902 1618 S HN 0.297 nan 8.310 nan 0.000 0.440 1619 L N 1.462 122.681 121.223 -0.005 0.000 2.093 1619 L HA -0.003 4.337 4.340 -0.000 0.000 0.208 1619 L C 2.507 179.374 176.870 -0.005 0.000 1.085 1619 L CA 1.307 56.144 54.840 -0.005 0.000 0.755 1619 L CB -1.277 40.779 42.059 -0.006 0.000 0.904 1619 L HN 0.325 nan 8.230 nan 0.000 0.435 1620 R N 0.574 121.071 120.500 -0.005 0.000 2.154 1620 R HA -0.277 4.063 4.340 -0.000 0.000 0.236 1620 R C 2.306 178.604 176.300 -0.004 0.000 1.121 1620 R CA 2.249 58.346 56.100 -0.005 0.000 0.915 1620 R CB -0.058 30.239 30.300 -0.005 0.000 0.856 1620 R HN 0.131 nan 8.270 nan 0.000 0.431 1621 K N 0.473 120.871 120.400 -0.003 0.000 2.015 1621 K HA -0.276 4.044 4.320 -0.000 0.000 0.220 1621 K C 1.924 178.522 176.600 -0.002 0.000 1.055 1621 K CA 2.315 58.601 56.287 -0.002 0.000 0.951 1621 K CB -0.501 31.998 32.500 -0.002 0.000 0.725 1621 K HN 0.360 nan 8.250 nan 0.000 0.449 1622 E N 0.717 120.916 120.200 -0.002 0.000 2.045 1622 E HA -0.370 3.980 4.350 -0.000 0.000 0.212 1622 E C 2.104 178.702 176.600 -0.002 0.000 1.039 1622 E CA 2.083 58.482 56.400 -0.002 0.000 0.860 1622 E CB -0.216 29.482 29.700 -0.002 0.000 0.776 1622 E HN 0.400 nan 8.360 nan 0.000 0.467 1623 E N 0.091 120.290 120.200 -0.003 0.000 2.086 1623 E HA -0.304 4.046 4.350 -0.000 0.000 0.205 1623 E C 2.125 178.723 176.600 -0.002 0.000 1.027 1623 E CA 2.032 58.431 56.400 -0.003 0.000 0.830 1623 E CB -0.091 29.607 29.700 -0.003 0.000 0.751 1623 E HN 0.398 nan 8.360 nan 0.000 0.456 1624 E N -0.098 120.100 120.200 -0.002 0.000 2.051 1624 E HA -0.232 4.118 4.350 -0.000 0.000 0.192 1624 E C 2.325 178.924 176.600 -0.001 0.000 0.991 1624 E CA 1.344 57.743 56.400 -0.002 0.000 0.799 1624 E CB -0.077 29.622 29.700 -0.002 0.000 0.748 1624 E HN 0.375 nan 8.360 nan 0.000 0.449 1625 Q N 0.571 120.370 119.800 -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 57.480 55.803 -0.001 0.000 0.868 1625 Q CB -0.474 28.263 28.738 -0.001 0.000 0.946 1625 Q HN 0.263 nan 8.270 nan 0.000 0.418 1626 A N 0.807 123.627 122.820 -0.001 0.000 1.971 1626 A HA -0.287 4.033 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 2.362 54.398 52.037 -0.001 0.000 0.649 1626 A CB -1.304 17.695 19.000 -0.001 0.000 0.818 1626 A HN 0.494 nan 8.150 nan 0.000 0.458 1627 T N -0.721 113.832 114.554 -0.001 0.000 2.588 1627 T HA -0.182 4.168 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 1.428 63.528 62.100 -0.001 0.000 1.172 1627 T CB -0.393 68.475 68.868 -0.002 0.000 0.863 1627 T HN 0.683 nan 8.240 nan 0.000 0.408 1628 E N 0.582 120.781 120.200 -0.001 0.000 2.333 1628 E HA -0.112 4.238 4.350 -0.000 0.000 0.200 1628 E C -0.033 176.566 176.600 -0.001 0.000 1.010 1628 E CA 0.818 57.217 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 0.435 114.989 114.554 -0.001 0.000 3.734 1629 T HA 0.206 4.556 4.350 -0.000 0.000 0.238 1629 T C -0.799 173.900 174.700 -0.001 0.000 1.205 1629 T CA -0.350 61.750 62.100 -0.001 0.000 1.606 1629 T CB 0.908 69.776 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