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_A 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 1.102 119.811 118.700 0.014 0.000 2.651 1078 N HA -0.122 4.619 4.740 0.002 0.000 0.193 1078 N C 0.862 176.391 175.510 0.033 0.000 1.149 1078 N CA 1.307 54.372 53.050 0.026 0.000 0.933 1078 N CB -0.178 38.342 38.487 0.056 0.000 0.974 1078 N HN 0.623 nan 8.380 nan 0.000 0.448 1079 T N -1.018 113.548 114.554 0.021 0.000 3.366 1079 T HA 0.248 4.599 4.350 0.002 0.000 0.249 1079 T C 0.348 175.035 174.700 -0.023 0.000 1.028 1079 T CA -0.003 62.109 62.100 0.019 0.000 0.938 1079 T CB -0.164 68.714 68.868 0.016 0.000 1.046 1079 T HN 0.331 nan 8.240 nan 0.000 0.587 1080 S N -0.069 115.608 115.700 -0.039 0.000 2.501 1080 S HA 0.204 4.676 4.470 0.002 0.000 0.250 1080 S C 2.027 176.557 174.600 -0.117 0.000 0.959 1080 S CA 0.088 58.243 58.200 -0.075 0.000 1.250 1080 S CB -0.460 62.696 63.200 -0.074 0.000 0.933 1080 S HN 0.422 nan 8.310 nan 0.000 0.420 1081 A N 1.169 123.906 122.820 -0.138 0.000 2.194 1081 A HA 0.058 4.380 4.320 0.002 0.000 0.220 1081 A C 1.904 179.202 177.584 -0.477 0.000 1.162 1081 A CA 1.802 53.680 52.037 -0.265 0.000 0.674 1081 A CB -0.417 18.453 19.000 -0.215 0.000 0.789 1081 A HN 0.415 nan 8.150 nan 0.000 0.470 1082 V N -1.095 118.681 119.914 -0.231 0.000 2.599 1082 V HA -0.095 4.026 4.120 0.002 0.000 0.237 1082 V C 1.998 178.115 176.094 0.038 0.000 1.081 1082 V CA 1.447 63.704 62.300 -0.072 0.000 1.107 1082 V CB -0.430 31.525 31.823 0.219 0.000 0.808 1082 V HN 0.623 nan 8.190 nan 0.000 0.486 1083 Q N 0.165 119.973 119.800 0.014 0.000 2.449 1083 Q HA -0.103 4.238 4.340 0.002 0.000 0.214 1083 Q C 1.308 177.293 176.000 -0.025 0.000 0.986 1083 Q CA 1.447 57.248 55.803 -0.003 0.000 0.893 1083 Q CB -0.125 28.565 28.738 -0.081 0.000 0.940 1083 Q HN 0.615 nan 8.270 nan 0.000 0.477 1084 V N 1.602 121.476 119.914 -0.067 0.000 3.170 1084 V HA 0.048 4.169 4.120 0.002 0.000 0.354 1084 V C 0.724 176.779 176.094 -0.065 0.000 1.350 1084 V CA 0.166 62.423 62.300 -0.072 0.000 1.244 1084 V CB -0.381 31.381 31.823 -0.103 0.000 1.222 1084 V HN 0.314 nan 8.190 nan 0.000 0.478 1085 L N -2.006 119.221 121.223 0.006 0.000 3.001 1085 L HA 0.540 4.882 4.340 0.002 0.000 0.234 1085 L C 0.610 177.552 176.870 0.120 0.000 1.321 1085 L CA -0.340 54.562 54.840 0.103 0.000 1.138 1085 L CB -0.638 41.667 42.059 0.410 0.000 1.503 1085 L HN 0.042 nan 8.230 nan 0.000 0.487 1086 I N 1.518 122.135 120.570 0.079 0.000 3.288 1086 I HA -0.279 3.893 4.170 0.002 0.000 0.319 1086 I C 1.864 178.045 176.117 0.106 0.000 1.188 1086 I CA 0.994 62.346 61.300 0.086 0.000 1.443 1086 I CB 0.590 38.639 38.000 0.081 0.000 1.290 1086 I HN 0.631 nan 8.210 nan 0.000 0.560 1087 E N 3.053 123.312 120.200 0.098 0.000 2.333 1087 E HA -0.312 4.040 4.350 0.002 0.000 0.200 1087 E C 1.603 178.268 176.600 0.108 0.000 1.010 1087 E CA 1.734 58.189 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 4.762 4.556 0.002 0.000 0.267 1088 H C 1.504 176.847 175.328 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 0.228 120.844 120.570 0.078 0.000 3.956 1089 I HA 0.207 4.378 4.170 0.002 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 0.040 0.000 1.122 1089 I CB 1.124 39.157 38.000 0.055 0.000 1.013 1089 I HN 0.115 nan 8.210 nan 0.000 0.405 1090 G N 1.547 110.405 108.800 0.096 0.000 2.744 1090 G HA2 0.342 4.304 3.960 0.002 0.000 0.286 1090 G HA3 0.342 4.304 3.960 0.002 0.000 0.286 1090 G C -1.490 173.430 174.900 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 3.085 121.765 118.700 -0.033 0.000 2.410 1091 N HA 0.544 5.285 4.740 0.002 0.000 0.287 1091 N C 1.000 176.440 175.510 -0.117 0.000 1.044 1091 N CA -0.840 52.180 53.050 -0.050 0.000 0.881 1091 N CB 1.389 39.837 38.487 -0.064 0.000 1.405 1091 N HN 0.510 nan 8.380 nan 0.000 0.490 1092 L N 1.242 122.425 121.223 -0.066 0.000 6.328 1092 L HA -0.361 3.980 4.340 0.002 0.000 0.053 1092 L C -0.087 176.461 176.870 -0.538 0.000 2.032 1092 L CA 1.069 55.865 54.840 -0.073 0.000 1.701 1092 L CB -0.976 41.108 42.059 0.041 0.000 2.706 1092 L HN 0.636 nan 8.230 nan 0.000 1.012 1093 D N 0.587 120.799 120.400 -0.314 0.000 2.906 1093 D HA 0.089 4.731 4.640 0.002 0.000 0.237 1093 D C 1.088 177.082 176.300 -0.510 0.000 1.201 1093 D CA 0.955 54.706 54.000 -0.415 0.000 0.998 1093 D CB -0.003 40.733 40.800 -0.107 0.000 1.183 1093 D HN 0.316 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 0.219 4.561 4.340 0.002 0.000 0.150 1094 R C 1.848 177.493 176.300 -1.091 0.000 0.739 1094 R CA 0.404 56.144 56.100 -0.600 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 0.883 123.149 122.820 -0.925 0.000 1.948 1095 A HA -0.194 4.128 4.320 0.002 0.000 0.220 1095 A C 1.371 178.459 177.584 -0.827 0.000 1.177 1095 A CA 1.707 53.298 52.037 -0.744 0.000 0.636 1095 A CB -0.750 18.148 19.000 -0.169 0.000 0.815 1095 A HN 0.632 nan 8.150 nan 0.000 0.449 1096 Y N -1.722 118.308 120.300 -0.451 0.000 2.532 1096 Y HA 0.480 5.032 4.550 0.002 0.000 0.283 1096 Y C 1.379 177.094 175.900 -0.309 0.000 1.181 1096 Y CA -0.087 57.838 58.100 -0.291 0.000 1.256 1096 Y CB -0.347 38.023 38.460 -0.151 0.000 1.112 1096 Y HN 0.286 nan 8.280 nan 0.000 0.521 1097 E N 0.531 120.366 120.200 -0.608 0.000 2.415 1097 E HA 0.069 4.420 4.350 0.002 0.000 0.197 1097 E C -0.072 176.408 176.600 -0.199 0.000 1.007 1097 E CA 0.271 56.457 56.400 -0.356 0.000 0.890 1097 E CB 0.128 29.606 29.700 -0.369 0.000 0.891 1097 E HN 0.613 nan 8.360 nan 0.000 0.496 1098 F N -2.334 117.605 119.950 -0.019 0.000 2.850 1098 F HA 0.633 5.162 4.527 0.002 0.000 0.329 1098 F C 0.750 176.564 175.800 0.024 0.000 1.182 1098 F CA -1.003 56.996 58.000 -0.002 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 4.487 4.320 0.002 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 0.184 0.000 0.937 1099 A HN 0.384 nan 8.150 nan 0.000 0.487 1100 E N 0.269 120.524 120.200 0.091 0.000 2.347 1100 E HA -0.068 4.284 4.350 0.002 0.000 0.196 1100 E C 1.857 178.498 176.600 0.068 0.000 1.008 1100 E CA 0.374 56.800 56.400 0.044 0.000 0.852 1100 E CB 0.021 29.731 29.700 0.016 0.000 0.783 1100 E HN 0.536 nan 8.360 nan 0.000 0.505 1101 R N -0.212 120.348 120.500 0.101 0.000 2.127 1101 R HA 0.051 4.392 4.340 0.002 0.000 0.217 1101 R C 1.369 177.739 176.300 0.116 0.000 1.074 1101 R CA 0.630 56.788 56.100 0.097 0.000 0.991 1101 R CB -0.102 30.254 30.300 0.093 0.000 0.895 1101 R HN 0.222 nan 8.270 nan 0.000 0.450 1102 C N 0.012 119.398 119.300 0.143 0.000 2.478 1102 C HA 0.384 4.845 4.460 0.002 0.000 0.379 1102 C C 1.071 176.215 174.990 0.257 0.000 1.470 1102 C CA -0.945 58.167 59.018 0.157 0.000 2.066 1102 C CB 0.585 28.405 27.740 0.134 0.000 2.001 1102 C HN 0.291 nan 8.230 nan 0.000 0.550 1103 N N -0.409 118.444 118.700 0.254 0.000 3.170 1103 N HA 0.107 4.849 4.740 0.002 0.000 0.235 1103 N C 0.634 176.325 175.510 0.300 0.000 1.037 1103 N CA 0.379 53.632 53.050 0.337 0.000 1.160 1103 N CB 0.156 38.695 38.487 0.087 0.000 1.606 1103 N HN 0.893 nan 8.380 nan 0.000 0.580 1104 E N -0.514 119.810 120.200 0.207 0.000 2.933 1104 E HA 0.164 4.516 4.350 0.002 0.000 0.175 1104 E C -2.769 173.854 176.600 0.038 0.000 0.932 1104 E CA -0.684 55.932 56.400 0.361 0.000 1.340 1104 E CB 0.123 30.237 29.700 0.690 0.000 1.025 1104 E HN 0.203 nan 8.360 nan 0.000 0.461 1105 P HA 0.334 nan 4.420 nan 0.000 0.277 1105 P C 0.227 177.269 177.300 -0.429 0.000 1.354 1105 P CA 0.998 63.973 63.100 -0.209 0.000 0.891 1105 P CB 0.768 32.404 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 4.168 4.320 0.002 0.000 0.230 1106 A C 0.445 177.441 177.584 -0.981 0.000 2.273 1106 A CA 0.124 51.773 52.037 -0.647 0.000 0.690 1106 A CB -2.007 16.793 19.000 -0.333 0.000 0.908 1106 A HN 0.624 nan 8.150 nan 0.000 0.366 1107 V N -1.956 117.614 119.914 -0.574 0.000 6.125 1107 V HA -0.273 3.849 4.120 0.002 0.000 0.281 1107 V C 1.008 177.027 176.094 -0.125 0.000 0.591 1107 V CA 2.553 64.637 62.300 -0.361 0.000 0.617 1107 V CB -2.133 29.544 31.823 -0.243 0.000 0.336 1107 V HN 1.130 nan 8.190 nan 0.000 0.650 1108 W N -0.606 120.699 121.300 0.007 0.000 2.842 1108 W HA 0.105 4.766 4.660 0.002 0.000 0.267 1108 W C 2.162 178.673 176.519 -0.014 0.000 1.219 1108 W CA 0.501 57.850 57.345 0.007 0.000 1.458 1108 W CB 0.331 29.801 29.460 0.016 0.000 1.006 1108 W HN 0.448 nan 8.180 nan 0.000 0.603 1109 S N -0.068 115.762 115.700 0.217 0.000 2.470 1109 S HA -0.119 4.352 4.470 0.002 0.000 0.222 1109 S C 1.620 176.244 174.600 0.041 0.000 1.024 1109 S CA 0.779 59.029 58.200 0.084 0.000 0.931 1109 S CB 0.008 63.230 63.200 0.037 0.000 0.791 1109 S HN 0.263 nan 8.310 nan 0.000 0.513 1110 Q N 0.073 119.906 119.800 0.055 0.000 2.376 1110 Q HA 0.146 4.488 4.340 0.002 0.000 0.206 1110 Q C 1.949 177.982 176.000 0.055 0.000 0.921 1110 Q CA 0.373 56.195 55.803 0.032 0.000 0.911 1110 Q CB -0.080 28.667 28.738 0.015 0.000 1.032 1110 Q HN 0.511 nan 8.270 nan 0.000 0.510 1111 L N 0.275 121.561 121.223 0.106 0.000 2.240 1111 L HA 0.107 4.449 4.340 0.002 0.000 0.211 1111 L C 1.880 178.812 176.870 0.103 0.000 1.106 1111 L CA 1.665 56.585 54.840 0.134 0.000 0.793 1111 L CB -0.809 41.396 42.059 0.244 0.000 0.927 1111 L HN 0.285 nan 8.230 nan 0.000 0.446 1112 A N -0.090 122.779 122.820 0.082 0.000 2.067 1112 A HA -0.170 4.152 4.320 0.002 0.000 0.217 1112 A C 2.336 179.917 177.584 -0.005 0.000 1.156 1112 A CA 1.163 53.211 52.037 0.019 0.000 0.683 1112 A CB -0.262 18.729 19.000 -0.014 0.000 0.808 1112 A HN 0.436 nan 8.150 nan 0.000 0.455 1113 K N -0.633 119.767 120.400 0.000 0.000 2.243 1113 K HA 0.160 4.481 4.320 0.002 0.000 0.201 1113 K C 1.868 178.470 176.600 0.004 0.000 1.051 1113 K CA 0.826 57.107 56.287 -0.011 0.000 0.970 1113 K CB -0.099 32.391 32.500 -0.018 0.000 0.755 1113 K HN 0.374 nan 8.250 nan 0.000 0.465 1114 A N 0.020 122.853 122.820 0.020 0.000 1.997 1114 A HA 0.021 4.342 4.320 0.002 0.000 0.212 1114 A C 1.724 179.324 177.584 0.027 0.000 1.178 1114 A CA 0.444 52.498 52.037 0.028 0.000 0.698 1114 A CB 0.067 19.094 19.000 0.044 0.000 0.842 1114 A HN 0.163 nan 8.150 nan 0.000 0.458 1115 Q N -0.618 119.199 119.800 0.028 0.000 2.403 1115 Q HA 0.184 4.525 4.340 0.002 0.000 0.203 1115 Q C 1.055 177.049 176.000 -0.010 0.000 0.932 1115 Q CA 0.340 56.153 55.803 0.018 0.000 0.945 1115 Q CB 0.512 29.270 28.738 0.033 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 -0.014 0.000 2.609 1116 L HA 0.122 4.464 4.340 0.002 0.000 0.230 1116 L C 1.246 178.103 176.870 -0.022 0.000 1.087 1116 L CA 0.879 55.701 54.840 -0.029 0.000 0.874 1116 L CB 0.220 42.257 42.059 -0.038 0.000 1.114 1116 L HN 0.204 nan 8.230 nan 0.000 0.488 1117 Q N -0.363 119.430 119.800 -0.011 0.000 2.317 1117 Q HA 0.114 4.455 4.340 0.002 0.000 0.220 1117 Q C -0.133 175.865 176.000 -0.004 0.000 0.873 1117 Q CA 0.212 56.011 55.803 -0.007 0.000 0.936 1117 Q CB 0.978 29.716 28.738 -0.001 0.000 1.105 1117 Q HN 0.227 nan 8.270 nan 0.000 0.520 1118 K N 1.033 121.431 120.400 -0.004 0.000 2.579 1118 K HA 0.502 4.823 4.320 0.002 0.000 0.225 1118 K C -0.267 176.320 176.600 -0.022 0.000 0.992 1118 K CA -0.201 56.083 56.287 -0.004 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 2.468 111.248 108.800 -0.033 0.000 2.760 1119 G HA2 -0.253 3.708 3.960 0.002 0.000 0.246 1119 G HA3 -0.253 3.708 3.960 0.002 0.000 0.246 1119 G C -0.743 174.125 174.900 -0.054 0.000 1.359 1119 G CA -0.594 44.473 45.100 -0.055 0.000 0.861 1119 G HN 0.558 nan 8.290 nan 0.000 0.541 1120 M N 0.849 120.410 119.600 -0.066 0.000 2.018 1120 M HA 0.634 5.115 4.480 0.002 0.000 0.311 1120 M C -0.289 175.970 176.300 -0.069 0.000 0.928 1120 M CA -0.764 54.498 55.300 -0.063 0.000 0.911 1120 M CB 1.283 33.848 32.600 -0.058 0.000 1.447 1120 M HN 0.648 nan 8.290 nan 0.000 0.407 1121 V N 3.948 123.824 119.914 -0.063 0.000 3.177 1121 V HA -0.032 4.090 4.120 0.002 0.000 0.220 1121 V C 1.599 177.661 176.094 -0.054 0.000 1.395 1121 V CA 0.921 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 -0.059 0.000 2.804 1122 K HA -0.481 3.840 4.320 0.002 0.000 0.201 1122 K C 1.706 178.249 176.600 -0.095 0.000 0.908 1122 K CA 2.892 59.129 56.287 -0.082 0.000 0.855 1122 K CB -1.094 31.338 32.500 -0.114 0.000 1.395 1122 K HN 0.586 nan 8.250 nan 0.000 0.537 1123 E N 0.925 121.072 120.200 -0.088 0.000 2.147 1123 E HA -0.254 4.097 4.350 0.002 0.000 0.199 1123 E C 1.908 178.493 176.600 -0.025 0.000 1.005 1123 E CA 1.593 57.954 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 0.195 123.001 122.820 -0.023 0.000 1.920 1124 A HA 0.049 4.371 4.320 0.002 0.000 0.209 1124 A C 1.893 179.496 177.584 0.033 0.000 1.229 1124 A CA 0.273 52.309 52.037 -0.002 0.000 0.671 1124 A CB -0.113 18.871 19.000 -0.026 0.000 0.886 1124 A HN 0.307 nan 8.150 nan 0.000 0.461 1125 I N 0.095 120.677 120.570 0.020 0.000 3.444 1125 I HA -0.006 4.165 4.170 0.002 0.000 0.287 1125 I C 0.584 176.700 176.117 -0.003 0.000 1.302 1125 I CA 1.050 62.383 61.300 0.056 0.000 1.368 1125 I CB -0.105 37.931 38.000 0.059 0.000 1.048 1125 I HN 0.240 nan 8.210 nan 0.000 0.487 1126 D N -1.851 118.516 120.400 -0.053 0.000 2.469 1126 D HA 0.172 4.813 4.640 0.002 0.000 0.215 1126 D C 1.267 177.579 176.300 0.020 0.000 1.154 1126 D CA 0.268 54.173 54.000 -0.159 0.000 0.832 1126 D CB 0.457 41.074 40.800 -0.305 0.000 1.008 1126 D HN 0.071 nan 8.370 nan 0.000 0.506 1127 S N -0.904 114.862 115.700 0.109 0.000 2.846 1127 S HA 0.142 4.613 4.470 0.002 0.000 0.249 1127 S C -0.287 174.448 174.600 0.225 0.000 1.028 1127 S CA -0.410 57.912 58.200 0.204 0.000 1.043 1127 S CB -0.005 63.288 63.200 0.155 0.000 0.990 1127 S HN 0.259 nan 8.310 nan 0.000 0.564 1128 Y N 1.269 121.564 120.300 -0.008 0.000 2.888 1128 Y HA 0.410 4.961 4.550 0.002 0.000 0.260 1128 Y C 0.442 176.350 175.900 0.012 0.000 1.113 1128 Y CA -0.470 57.639 58.100 0.014 0.000 1.237 1128 Y CB 0.529 39.022 38.460 0.055 0.000 1.307 1128 Y HN 0.453 nan 8.280 nan 0.000 0.580 1129 I N -3.330 117.108 120.570 -0.219 0.000 4.670 1129 I HA 0.343 4.515 4.170 0.002 0.000 0.339 1129 I C 0.383 175.868 176.117 -1.055 0.000 1.310 1129 I CA -0.313 60.520 61.300 -0.780 0.000 1.288 1129 I CB 0.352 36.917 38.000 -2.392 0.000 1.427 1129 I HN -0.132 nan 8.210 nan 0.000 0.494 1130 K N 2.910 123.001 120.400 -0.516 0.000 2.155 1130 K HA 0.569 4.891 4.320 0.002 0.000 0.240 1130 K C 0.325 176.791 176.600 -0.223 0.000 1.193 1130 K CA 0.390 56.473 56.287 -0.340 0.000 1.104 1130 K CB 0.497 32.894 32.500 -0.172 0.000 1.558 1130 K HN 0.489 nan 8.250 nan 0.000 0.313 1131 A N 2.941 125.701 122.820 -0.099 0.000 2.195 1131 A HA 0.019 4.341 4.320 0.002 0.000 0.212 1131 A C 1.346 178.990 177.584 0.100 0.000 2.368 1131 A CA 0.492 52.542 52.037 0.021 0.000 1.424 1131 A CB -0.473 18.576 19.000 0.081 0.000 1.095 1131 A HN 0.767 nan 8.150 nan 0.000 0.516 1132 D N 1.006 121.553 120.400 0.245 0.000 2.182 1132 D HA -0.079 4.562 4.640 0.002 0.000 0.193 1132 D C -0.067 176.354 176.300 0.203 0.000 0.999 1132 D CA 1.952 56.079 54.000 0.211 0.000 0.850 1132 D CB -0.734 40.201 40.800 0.226 0.000 0.994 1132 D HN 0.564 nan 8.370 nan 0.000 0.450 1133 D N -3.543 117.071 120.400 0.356 0.000 2.912 1133 D HA 0.398 5.039 4.640 0.002 0.000 0.263 1133 D C -3.030 173.531 176.300 0.435 0.000 1.152 1133 D CA -1.240 52.914 54.000 0.256 0.000 0.728 1133 D CB 1.584 42.488 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 -0.979 176.413 177.300 0.153 0.000 1.233 1134 P CA -0.612 62.604 63.100 0.193 0.000 0.836 1134 P CB 2.319 34.011 31.700 -0.014 0.000 1.369 1135 S N -2.394 113.370 115.700 0.107 0.000 2.680 1135 S HA 0.651 5.122 4.470 0.002 0.000 0.276 1135 S C -1.305 173.286 174.600 -0.016 0.000 1.189 1135 S CA 0.208 58.445 58.200 0.062 0.000 0.909 1135 S CB 0.010 63.248 63.200 0.063 0.000 1.227 1135 S HN 0.801 nan 8.310 nan 0.000 0.501 1136 S N -1.033 114.597 115.700 -0.116 0.000 4.122 1136 S HA 0.109 4.581 4.470 0.002 0.000 0.650 1136 S C -0.142 174.317 174.600 -0.236 0.000 1.049 1136 S CA 0.977 58.979 58.200 -0.329 0.000 1.216 1136 S CB -1.750 61.323 63.200 -0.210 0.000 0.338 1136 S HN 2.309 nan 8.310 nan 0.000 1.492 1137 Y N -1.380 118.960 120.300 0.067 0.000 2.831 1137 Y HA -0.430 4.121 4.550 0.002 0.000 0.469 1137 Y C 1.672 177.595 175.900 0.039 0.000 1.152 1137 Y CA 2.013 60.159 58.100 0.076 0.000 2.680 1137 Y CB -1.964 36.569 38.460 0.121 0.000 1.183 1137 Y HN 0.831 nan 8.280 nan 0.000 0.623 1138 M N 0.846 120.692 119.600 0.410 0.000 2.116 1138 M HA -0.310 4.171 4.480 0.002 0.000 0.255 1138 M C 2.203 178.547 176.300 0.073 0.000 1.075 1138 M CA 2.672 58.091 55.300 0.198 0.000 1.087 1138 M CB -0.389 32.339 32.600 0.212 0.000 1.340 1138 M HN 0.744 nan 8.290 nan 0.000 0.402 1139 E N -0.534 119.673 120.200 0.011 0.000 2.012 1139 E HA -0.212 4.139 4.350 0.002 0.000 0.197 1139 E C 1.723 178.291 176.600 -0.054 0.000 1.007 1139 E CA 2.315 58.691 56.400 -0.040 0.000 0.816 1139 E CB -0.142 29.500 29.700 -0.097 0.000 0.762 1139 E HN 0.471 nan 8.360 nan 0.000 0.451 1140 V N 0.706 120.577 119.914 -0.072 0.000 2.295 1140 V HA -0.249 3.872 4.120 0.002 0.000 0.246 1140 V C 2.512 178.560 176.094 -0.077 0.000 1.049 1140 V CA 1.502 63.747 62.300 -0.093 0.000 1.024 1140 V CB -0.483 31.274 31.823 -0.109 0.000 0.648 1140 V HN 0.215 nan 8.190 nan 0.000 0.447 1141 V N 0.087 119.984 119.914 -0.029 0.000 2.220 1141 V HA -0.386 3.736 4.120 0.002 0.000 0.250 1141 V C 2.563 178.648 176.094 -0.016 0.000 1.053 1141 V CA 2.637 64.934 62.300 -0.005 0.000 1.019 1141 V CB -0.907 30.940 31.823 0.041 0.000 0.646 1141 V HN 0.581 nan 8.190 nan 0.000 0.455 1142 Q N 0.183 119.981 119.800 -0.002 0.000 2.077 1142 Q HA -0.261 4.080 4.340 0.002 0.000 0.206 1142 Q C 2.287 178.262 176.000 -0.041 0.000 0.989 1142 Q CA 2.662 58.464 55.803 -0.002 0.000 0.853 1142 Q CB -0.736 28.008 28.738 0.010 0.000 0.907 1142 Q HN 0.618 nan 8.270 nan 0.000 0.418 1143 A N 1.189 123.973 122.820 -0.061 0.000 1.896 1143 A HA -0.123 4.198 4.320 0.002 0.000 0.220 1143 A C 1.451 178.944 177.584 -0.152 0.000 1.206 1143 A CA 1.903 53.883 52.037 -0.095 0.000 0.647 1143 A CB -1.192 17.748 19.000 -0.100 0.000 0.828 1143 A HN 0.536 nan 8.150 nan 0.000 0.455 1144 A N -0.472 122.242 122.820 -0.178 0.000 2.545 1144 A HA 0.480 4.801 4.320 0.002 0.000 0.297 1144 A C 0.587 177.968 177.584 -0.338 0.000 1.340 1144 A CA 0.576 52.451 52.037 -0.270 0.000 1.016 1144 A CB -0.601 18.252 19.000 -0.244 0.000 1.122 1144 A HN 0.763 nan 8.150 nan 0.000 0.537 1145 N N 0.382 118.771 118.700 -0.519 0.000 2.505 1145 N HA -0.196 4.545 4.740 0.002 0.000 0.300 1145 N C 1.592 176.762 175.510 -0.566 0.000 0.797 1145 N CA 1.021 53.706 53.050 -0.609 0.000 1.111 1145 N CB -0.519 37.923 38.487 -0.074 0.000 2.337 1145 N HN 0.571 nan 8.380 nan 0.000 1.254 1146 T N -0.815 113.588 114.554 -0.253 0.000 2.701 1146 T HA 0.048 4.400 4.350 0.002 0.000 0.263 1146 T C 1.665 176.259 174.700 -0.176 0.000 1.040 1146 T CA 1.879 63.922 62.100 -0.095 0.000 1.147 1146 T CB -0.682 68.162 68.868 -0.040 0.000 0.865 1146 T HN 0.103 nan 8.240 nan 0.000 0.426 1147 S N 0.971 116.520 115.700 -0.251 0.000 2.571 1147 S HA 0.254 4.725 4.470 0.002 0.000 0.245 1147 S C 1.669 176.104 174.600 -0.275 0.000 0.976 1147 S CA 0.764 58.842 58.200 -0.203 0.000 0.954 1147 S CB -1.002 62.087 63.200 -0.186 0.000 0.756 1147 S HN 1.186 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 3.733 3.960 0.002 0.000 0.244 1148 G HA3 -0.228 3.733 3.960 0.002 0.000 0.244 1148 G C -0.232 174.284 174.900 -0.640 0.000 1.022 1148 G CA -0.244 44.295 45.100 -0.934 0.000 0.741 1148 G HN 0.482 nan 8.290 nan 0.000 0.508 1149 N N 0.991 119.211 118.700 -0.800 0.000 3.245 1149 N HA 0.260 5.002 4.740 0.002 0.000 0.296 1149 N C 1.119 176.398 175.510 -0.385 0.000 1.254 1149 N CA -0.262 52.557 53.050 -0.385 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 0.378 121.692 121.300 0.024 0.000 2.857 1150 W HA 0.085 4.746 4.660 0.002 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 -0.844 28.633 29.460 0.027 0.000 1.225 1150 W HN 0.344 nan 8.180 nan 0.000 0.501 1151 E N 0.755 121.155 120.200 0.332 0.000 2.271 1151 E HA -0.304 4.047 4.350 0.002 0.000 0.209 1151 E C 1.529 178.208 176.600 0.132 0.000 1.046 1151 E CA 2.243 58.754 56.400 0.185 0.000 0.840 1151 E CB 0.095 29.882 29.700 0.145 0.000 0.738 1151 E HN 0.106 nan 8.360 nan 0.000 0.470 1152 E N -0.210 120.072 120.200 0.137 0.000 2.190 1152 E HA -0.035 4.316 4.350 0.002 0.000 0.191 1152 E C 1.715 178.449 176.600 0.224 0.000 0.978 1152 E CA 0.427 56.916 56.400 0.148 0.000 0.839 1152 E CB -0.194 29.601 29.700 0.158 0.000 0.787 1152 E HN 0.282 nan 8.360 nan 0.000 0.473 1153 L N 0.612 121.933 121.223 0.163 0.000 1.989 1153 L HA -0.172 4.169 4.340 0.002 0.000 0.211 1153 L C 1.961 178.926 176.870 0.159 0.000 1.071 1153 L CA 1.683 56.596 54.840 0.122 0.000 0.749 1153 L CB -0.692 41.370 42.059 0.005 0.000 0.890 1153 L HN 0.093 nan 8.230 nan 0.000 0.431 1154 V N -1.479 118.525 119.914 0.150 0.000 2.469 1154 V HA -0.278 3.843 4.120 0.002 0.000 0.251 1154 V C 2.621 178.768 176.094 0.089 0.000 1.064 1154 V CA 2.235 64.610 62.300 0.124 0.000 1.066 1154 V CB -1.327 30.566 31.823 0.117 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 0.083 0.000 2.167 1155 K HA -0.064 4.257 4.320 0.002 0.000 0.203 1155 K C 2.102 178.704 176.600 0.004 0.000 1.052 1155 K CA 0.936 57.234 56.287 0.020 0.000 0.956 1155 K CB -0.251 32.240 32.500 -0.014 0.000 0.735 1155 K HN 0.491 nan 8.250 nan 0.000 0.451 1156 Y N 0.965 121.250 120.300 -0.026 0.000 2.315 1156 Y HA -0.199 4.353 4.550 0.002 0.000 0.288 1156 Y C 1.597 177.473 175.900 -0.040 0.000 1.154 1156 Y CA 1.287 59.360 58.100 -0.046 0.000 1.229 1156 Y CB 0.111 38.537 38.460 -0.057 0.000 0.980 1156 Y HN 0.037 nan 8.280 nan 0.000 0.540 1157 L N -0.869 120.426 121.223 0.120 0.000 2.307 1157 L HA -0.115 4.226 4.340 0.002 0.000 0.211 1157 L C 2.418 179.298 176.870 0.016 0.000 1.099 1157 L CA 0.803 55.681 54.840 0.064 0.000 0.816 1157 L CB -0.713 41.384 42.059 0.063 0.000 0.952 1157 L HN 0.144 nan 8.230 nan 0.000 0.455 1158 Q N 0.907 120.705 119.800 -0.003 0.000 2.242 1158 Q HA -0.268 4.074 4.340 0.002 0.000 0.211 1158 Q C 1.381 177.360 176.000 -0.036 0.000 0.992 1158 Q CA 1.896 57.680 55.803 -0.032 0.000 0.889 1158 Q CB -0.017 28.692 28.738 -0.048 0.000 0.913 1158 Q HN 0.366 nan 8.270 nan 0.000 0.422 1159 M N -0.726 118.852 119.600 -0.037 0.000 2.631 1159 M HA 0.210 4.691 4.480 0.002 0.000 0.241 1159 M C 0.628 176.919 176.300 -0.015 0.000 1.255 1159 M CA 0.255 55.534 55.300 -0.036 0.000 0.983 1159 M CB 0.724 33.289 32.600 -0.058 0.000 1.580 1159 M HN 0.318 nan 8.290 nan 0.000 0.464 1160 A N -0.927 121.887 122.820 -0.010 0.000 2.074 1160 A HA 0.230 4.551 4.320 0.002 0.000 0.200 1160 A C 2.231 179.804 177.584 -0.017 0.000 1.335 1160 A CA 0.090 52.123 52.037 -0.007 0.000 0.922 1160 A CB 0.251 19.249 19.000 -0.004 0.000 0.972 1160 A HN 0.304 nan 8.150 nan 0.000 0.475 1161 R N 1.130 121.620 120.500 -0.018 0.000 2.057 1161 R HA -0.116 4.225 4.340 0.002 0.000 0.229 1161 R C 2.008 178.300 176.300 -0.013 0.000 1.136 1161 R CA 1.671 57.761 56.100 -0.017 0.000 0.952 1161 R CB -0.435 29.855 30.300 -0.017 0.000 0.848 1161 R HN 0.644 nan 8.270 nan 0.000 0.430 1162 K N 0.946 121.337 120.400 -0.015 0.000 2.189 1162 K HA -0.208 4.114 4.320 0.002 0.000 0.207 1162 K C 1.265 177.861 176.600 -0.005 0.000 1.046 1162 K CA 1.930 58.210 56.287 -0.012 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 -1.466 118.932 120.400 -0.004 0.000 2.550 1163 K HA 0.321 4.642 4.320 0.002 0.000 0.205 1163 K C 1.221 177.825 176.600 0.005 0.000 1.429 1163 K CA 0.511 56.800 56.287 0.003 0.000 0.997 1163 K CB 0.903 33.406 32.500 0.005 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 -0.004 0.000 2.653 1164 A HA 0.207 4.529 4.320 0.002 0.000 0.248 1164 A C 0.219 177.779 177.584 -0.040 0.000 1.211 1164 A CA -0.301 51.729 52.037 -0.012 0.000 0.991 1164 A CB 0.024 19.018 19.000 -0.009 0.000 1.252 1164 A HN 0.144 nan 8.150 nan 0.000 0.593 1165 R N 2.064 122.545 120.500 -0.031 0.000 4.326 1165 R HA -0.095 4.246 4.340 0.002 0.000 0.141 1165 R C 0.071 176.337 176.300 -0.057 0.000 0.356 1165 R CA 1.655 57.735 56.100 -0.034 0.000 0.851 1165 R CB -0.619 29.676 30.300 -0.009 0.000 1.039 1165 R HN 0.616 nan 8.270 nan 0.000 0.246 1166 E N 2.093 122.219 120.200 -0.122 0.000 2.447 1166 E HA 0.108 4.459 4.350 0.002 0.000 0.279 1166 E C -0.602 175.848 176.600 -0.251 0.000 1.053 1166 E CA -0.191 56.093 56.400 -0.194 0.000 0.840 1166 E CB 0.992 30.488 29.700 -0.340 0.000 1.409 1166 E HN 0.351 nan 8.360 nan 0.000 0.461 1167 S N 0.305 115.894 115.700 -0.184 0.000 2.363 1167 S HA -0.235 4.236 4.470 0.002 0.000 0.218 1167 S C 1.966 176.556 174.600 -0.018 0.000 1.035 1167 S CA 2.187 60.376 58.200 -0.018 0.000 1.043 1167 S CB -0.972 62.386 63.200 0.264 0.000 0.986 1167 S HN 0.558 nan 8.310 nan 0.000 0.423 1168 Y N 0.790 121.097 120.300 0.012 0.000 2.446 1168 Y HA 0.073 4.624 4.550 0.002 0.000 0.287 1168 Y C 1.946 177.865 175.900 0.031 0.000 1.159 1168 Y CA 0.670 58.767 58.100 -0.006 0.000 1.297 1168 Y CB -1.128 37.319 38.460 -0.022 0.000 0.974 1168 Y HN 0.158 nan 8.280 nan 0.000 0.557 1169 V N 0.162 119.825 119.914 -0.418 0.000 3.219 1169 V HA -0.037 4.085 4.120 0.002 0.000 0.240 1169 V C 2.227 178.255 176.094 -0.110 0.000 1.222 1169 V CA 0.934 63.103 62.300 -0.218 0.000 1.181 1169 V CB 0.371 32.023 31.823 -0.286 0.000 0.941 1169 V HN 0.463 nan 8.190 nan 0.000 0.471 1170 E N 0.072 120.196 120.200 -0.128 0.000 2.099 1170 E HA -0.118 4.234 4.350 0.002 0.000 0.191 1170 E C 1.860 178.499 176.600 0.065 0.000 0.962 1170 E CA 1.411 57.804 56.400 -0.011 0.000 0.826 1170 E CB -0.430 29.266 29.700 -0.007 0.000 0.788 1170 E HN 0.365 nan 8.360 nan 0.000 0.461 1171 T N 0.822 115.402 114.554 0.044 0.000 2.946 1171 T HA -0.101 4.251 4.350 0.002 0.000 0.271 1171 T C 1.213 176.004 174.700 0.152 0.000 1.104 1171 T CA 1.580 63.751 62.100 0.119 0.000 1.114 1171 T CB -0.105 68.831 68.868 0.113 0.000 0.867 1171 T HN 0.166 nan 8.240 nan 0.000 0.513 1172 E N 0.446 120.700 120.200 0.091 0.000 2.122 1172 E HA 0.114 4.465 4.350 0.002 0.000 0.190 1172 E C 1.859 178.574 176.600 0.191 0.000 0.977 1172 E CA 0.115 56.588 56.400 0.122 0.000 0.820 1172 E CB -0.416 29.316 29.700 0.053 0.000 0.770 1172 E HN 0.278 nan 8.360 nan 0.000 0.462 1173 L N 0.687 121.997 121.223 0.145 0.000 2.017 1173 L HA -0.120 4.222 4.340 0.002 0.000 0.208 1173 L C 1.848 178.864 176.870 0.243 0.000 1.073 1173 L CA 1.582 56.513 54.840 0.151 0.000 0.745 1173 L CB -0.495 41.621 42.059 0.094 0.000 0.894 1173 L HN 0.142 nan 8.230 nan 0.000 0.432 1174 I N -1.499 119.261 120.570 0.317 0.000 2.076 1174 I HA -0.346 3.826 4.170 0.002 0.000 0.237 1174 I C 2.349 178.657 176.117 0.319 0.000 1.059 1174 I CA 1.793 63.347 61.300 0.424 0.000 1.317 1174 I CB -0.665 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 1.395 121.415 119.950 0.116 0.000 2.063 1175 F HA -0.364 4.164 4.527 0.002 0.000 0.298 1175 F C 2.593 178.462 175.800 0.116 0.000 1.109 1175 F CA 1.990 60.045 58.000 0.091 0.000 1.212 1175 F CB -0.678 38.373 39.000 0.084 0.000 0.973 1175 F HN 0.066 nan 8.300 nan 0.000 0.480 1176 A N 0.089 123.112 122.820 0.339 0.000 1.865 1176 A HA -0.196 4.126 4.320 0.002 0.000 0.217 1176 A C 2.310 180.009 177.584 0.191 0.000 1.191 1176 A CA 1.954 54.144 52.037 0.255 0.000 0.623 1176 A CB -1.252 17.880 19.000 0.219 0.000 0.826 1176 A HN 0.442 nan 8.150 nan 0.000 0.444 1177 L N -0.773 120.568 121.223 0.196 0.000 2.013 1177 L HA -0.274 4.067 4.340 0.002 0.000 0.212 1177 L C 3.133 180.089 176.870 0.144 0.000 1.073 1177 L CA 1.215 56.160 54.840 0.174 0.000 0.753 1177 L CB -0.756 41.449 42.059 0.244 0.000 0.890 1177 L HN 0.476 nan 8.230 nan 0.000 0.432 1178 A N 1.115 124.008 122.820 0.123 0.000 1.940 1178 A HA -0.254 4.067 4.320 0.002 0.000 0.221 1178 A C 1.935 179.500 177.584 -0.032 0.000 1.190 1178 A CA 2.348 54.385 52.037 -0.000 0.000 0.647 1178 A CB -0.570 18.346 19.000 -0.139 0.000 0.821 1178 A HN 0.620 nan 8.150 nan 0.000 0.457 1179 K N -1.486 118.907 120.400 -0.011 0.000 2.675 1179 K HA 0.341 4.663 4.320 0.002 0.000 0.213 1179 K C 0.202 176.786 176.600 -0.028 0.000 1.074 1179 K CA 0.552 56.815 56.287 -0.040 0.000 1.172 1179 K CB 0.369 32.846 32.500 -0.037 0.000 0.927 1179 K HN 0.224 nan 8.250 nan 0.000 0.471 1180 T N -0.188 114.374 114.554 0.014 0.000 3.409 1180 T HA 0.064 4.416 4.350 0.002 0.000 0.242 1180 T C -0.435 174.274 174.700 0.014 0.000 1.000 1180 T CA 0.108 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 0.205 118.918 118.700 0.023 0.000 2.853 1181 N HA 0.520 5.262 4.740 0.002 0.000 0.258 1181 N C -0.395 175.126 175.510 0.018 0.000 1.444 1181 N CA -0.889 52.166 53.050 0.009 0.000 0.837 1181 N CB 1.645 40.134 38.487 0.003 0.000 1.489 1181 N HN 0.083 nan 8.380 nan 0.000 0.529 1182 R N -1.395 119.110 120.500 0.009 0.000 2.725 1182 R HA 0.200 4.541 4.340 0.002 0.000 0.207 1182 R C 1.362 177.667 176.300 0.009 0.000 0.924 1182 R CA -0.310 55.800 56.100 0.017 0.000 1.098 1182 R CB -0.317 29.985 30.300 0.003 0.000 1.602 1182 R HN 0.302 nan 8.270 nan 0.000 0.615 1183 L N 1.640 122.860 121.223 -0.005 0.000 1.963 1183 L HA -0.105 4.236 4.340 0.002 0.000 0.220 1183 L C 1.710 178.571 176.870 -0.016 0.000 1.076 1183 L CA 2.564 57.397 54.840 -0.011 0.000 0.772 1183 L CB -0.453 41.596 42.059 -0.016 0.000 0.892 1183 L HN 0.202 nan 8.230 nan 0.000 0.435 1184 A N -1.741 121.060 122.820 -0.032 0.000 2.379 1184 A HA 0.091 4.412 4.320 0.002 0.000 0.236 1184 A C 1.680 179.214 177.584 -0.083 0.000 1.272 1184 A CA 0.134 52.142 52.037 -0.050 0.000 0.886 1184 A CB -0.694 18.270 19.000 -0.060 0.000 0.962 1184 A HN 0.565 nan 8.150 nan 0.000 0.504 1185 E N 0.194 120.361 120.200 -0.055 0.000 2.335 1185 E HA 0.207 4.558 4.350 0.002 0.000 0.191 1185 E C 0.032 176.705 176.600 0.122 0.000 1.150 1185 E CA 0.200 56.562 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 0.612 nan 8.360 nan 0.000 0.462 1186 L N -0.432 120.835 121.223 0.075 0.000 3.902 1186 L HA 0.157 4.499 4.340 0.002 0.000 0.375 1186 L C 0.930 177.844 176.870 0.074 0.000 1.252 1186 L CA -0.042 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 0.616 120.824 120.200 0.013 0.000 2.372 1187 E HA -0.053 4.299 4.350 0.002 0.000 0.201 1187 E C 1.627 178.220 176.600 -0.012 0.000 0.938 1187 E CA 0.668 57.067 56.400 -0.002 0.000 0.944 1187 E CB 0.697 30.384 29.700 -0.021 0.000 0.937 1187 E HN 0.236 nan 8.360 nan 0.000 0.495 1188 E N -1.056 119.106 120.200 -0.063 0.000 2.431 1188 E HA 0.110 4.461 4.350 0.002 0.000 0.200 1188 E C 0.415 177.000 176.600 -0.025 0.000 0.995 1188 E CA 0.055 56.408 56.400 -0.079 0.000 0.915 1188 E CB -0.240 29.367 29.700 -0.155 0.000 0.930 1188 E HN 0.164 nan 8.360 nan 0.000 0.496 1189 F N 0.320 120.266 119.950 -0.008 0.000 2.724 1189 F HA 0.103 4.632 4.527 0.002 0.000 0.297 1189 F C 1.678 177.475 175.800 -0.006 0.000 1.200 1189 F CA 0.576 58.572 58.000 -0.006 0.000 1.468 1189 F CB -0.084 38.908 39.000 -0.013 0.000 1.116 1189 F HN 0.162 nan 8.300 nan 0.000 0.599 1190 I N -1.556 119.106 120.570 0.153 0.000 4.456 1190 I HA -0.004 4.167 4.170 0.002 0.000 0.329 1190 I C 1.275 177.427 176.117 0.059 0.000 1.313 1190 I CA 0.314 61.668 61.300 0.091 0.000 1.205 1190 I CB 0.082 38.120 38.000 0.064 0.000 1.179 1190 I HN -0.065 nan 8.210 nan 0.000 0.419 1191 N N 0.541 119.269 118.700 0.047 0.000 2.646 1191 N HA 0.141 4.883 4.740 0.002 0.000 0.214 1191 N C 1.263 176.789 175.510 0.027 0.000 1.042 1191 N CA 0.663 53.729 53.050 0.027 0.000 0.925 1191 N CB 0.069 38.561 38.487 0.008 0.000 1.383 1191 N HN 0.197 nan 8.380 nan 0.000 0.439 1192 G N 2.305 111.119 108.800 0.023 0.000 4.649 1192 G HA2 0.384 4.345 3.960 0.002 0.000 0.312 1192 G HA3 0.384 4.345 3.960 0.002 0.000 0.312 1192 G C -2.251 172.683 174.900 0.055 0.000 1.403 1192 G CA -0.829 44.284 45.100 0.021 0.000 1.248 1192 G HN 0.193 nan 8.290 nan 0.000 0.581 1193 P HA 0.094 nan 4.420 nan 0.000 0.201 1193 P C 0.813 178.167 177.300 0.090 0.000 0.893 1193 P CA 0.201 63.381 63.100 0.134 0.000 1.100 1193 P CB 1.090 32.899 31.700 0.182 0.000 0.786 1194 N N 1.471 120.215 118.700 0.073 0.000 1.075 1194 N HA -0.314 4.428 4.740 0.002 0.000 0.133 1194 N C 0.012 175.558 175.510 0.059 0.000 0.564 1194 N CA 1.745 54.828 53.050 0.056 0.000 0.891 1194 N CB -2.937 35.575 38.487 0.042 0.000 1.364 1194 N HN 0.337 nan 8.380 nan 0.000 0.547 1195 N N 2.467 121.196 118.700 0.050 0.000 2.292 1195 N HA 0.350 5.091 4.740 0.002 0.000 0.258 1195 N C -0.217 175.331 175.510 0.065 0.000 1.261 1195 N CA 0.640 53.721 53.050 0.053 0.000 0.845 1195 N CB 0.564 39.075 38.487 0.040 0.000 1.064 1195 N HN 0.966 nan 8.380 nan 0.000 0.471 1196 A N 0.847 123.722 122.820 0.091 0.000 2.696 1196 A HA 0.301 4.622 4.320 0.002 0.000 0.296 1196 A C -1.561 176.137 177.584 0.190 0.000 1.043 1196 A CA -0.851 51.258 52.037 0.120 0.000 0.574 1196 A CB 0.021 19.082 19.000 0.103 0.000 1.509 1196 A HN 0.899 nan 8.150 nan 0.000 0.670 1197 H N 1.186 120.301 119.070 0.075 0.000 2.911 1197 H HA 0.457 5.014 4.556 0.002 0.000 0.273 1197 H C 0.943 176.298 175.328 0.045 0.000 1.157 1197 H CA -0.157 55.924 56.048 0.056 0.000 1.402 1197 H CB 0.147 29.942 29.762 0.055 0.000 1.463 1197 H HN 0.462 nan 8.280 nan 0.000 0.475 1198 I N 1.956 122.661 120.570 0.225 0.000 3.334 1198 I HA -0.144 4.027 4.170 0.002 0.000 0.282 1198 I C 1.432 177.556 176.117 0.011 0.000 1.313 1198 I CA 0.089 61.444 61.300 0.090 0.000 1.396 1198 I CB -0.159 37.882 38.000 0.068 0.000 1.054 1198 I HN 0.578 nan 8.210 nan 0.000 0.495 1199 Q N 1.388 121.139 119.800 -0.082 0.000 2.008 1199 Q HA -0.122 4.219 4.340 0.002 0.000 0.196 1199 Q C 2.160 178.033 176.000 -0.212 0.000 0.973 1199 Q CA 1.442 57.117 55.803 -0.212 0.000 0.826 1199 Q CB -0.416 28.080 28.738 -0.404 0.000 0.894 1199 Q HN 0.507 nan 8.270 nan 0.000 0.439 1200 Q N 0.434 120.046 119.800 -0.314 0.000 2.297 1200 Q HA -0.093 4.249 4.340 0.002 0.000 0.208 1200 Q C 2.118 178.119 176.000 0.001 0.000 0.981 1200 Q CA 0.745 56.481 55.803 -0.113 0.000 0.876 1200 Q CB -0.342 28.350 28.738 -0.077 0.000 0.921 1200 Q HN 0.113 nan 8.270 nan 0.000 0.446 1201 V N -0.092 119.816 119.914 -0.010 0.000 2.214 1201 V HA -0.298 3.823 4.120 0.002 0.000 0.245 1201 V C 2.171 178.282 176.094 0.029 0.000 1.047 1201 V CA 2.179 64.490 62.300 0.018 0.000 0.998 1201 V CB -1.440 30.385 31.823 0.004 0.000 0.633 1201 V HN 0.554 nan 8.190 nan 0.000 0.446 1202 G N -0.178 108.651 108.800 0.047 0.000 2.513 1202 G HA2 -0.315 3.647 3.960 0.002 0.000 0.219 1202 G HA3 -0.315 3.647 3.960 0.002 0.000 0.219 1202 G C 1.199 176.166 174.900 0.113 0.000 1.160 1202 G CA 1.356 46.528 45.100 0.120 0.000 0.767 1202 G HN 0.566 nan 8.290 nan 0.000 0.571 1203 D N 0.285 120.721 120.400 0.060 0.000 2.084 1203 D HA -0.096 4.545 4.640 0.002 0.000 0.194 1203 D C 2.508 178.887 176.300 0.133 0.000 0.990 1203 D CA 1.159 55.214 54.000 0.093 0.000 0.826 1203 D CB -0.318 40.507 40.800 0.041 0.000 0.971 1203 D HN 0.196 nan 8.370 nan 0.000 0.453 1204 R N 0.794 121.347 120.500 0.088 0.000 2.081 1204 R HA -0.044 4.297 4.340 0.002 0.000 0.235 1204 R C 2.184 178.482 176.300 -0.003 0.000 1.131 1204 R CA 1.189 57.319 56.100 0.051 0.000 0.960 1204 R CB -1.035 29.307 30.300 0.070 0.000 0.856 1204 R HN 0.207 nan 8.270 nan 0.000 0.436 1205 C N -0.409 118.893 119.300 0.003 0.000 2.425 1205 C HA -0.076 4.385 4.460 0.002 0.000 0.277 1205 C C 2.362 177.361 174.990 0.014 0.000 1.280 1205 C CA 0.729 59.723 59.018 -0.041 0.000 1.744 1205 C CB -1.242 26.457 27.740 -0.068 0.000 1.989 1205 C HN 0.556 nan 8.230 nan 0.000 0.491 1206 Y N 1.951 122.231 120.300 -0.032 0.000 2.373 1206 Y HA -0.095 4.457 4.550 0.002 0.000 0.293 1206 Y C 2.014 177.903 175.900 -0.017 0.000 1.129 1206 Y CA 2.030 60.125 58.100 -0.008 0.000 1.226 1206 Y CB -0.435 38.039 38.460 0.024 0.000 1.000 1206 Y HN 0.419 nan 8.280 nan 0.000 0.549 1207 D N -0.330 120.065 120.400 -0.010 0.000 2.249 1207 D HA -0.095 4.546 4.640 0.002 0.000 0.205 1207 D C 0.112 176.339 176.300 -0.121 0.000 0.962 1207 D CA 0.673 54.625 54.000 -0.080 0.000 0.860 1207 D CB 0.127 40.927 40.800 -0.000 0.000 0.955 1207 D HN 0.103 nan 8.370 nan 0.000 0.505 1208 E N 0.146 120.278 120.200 -0.113 0.000 2.593 1208 E HA 0.198 4.550 4.350 0.002 0.000 0.232 1208 E C -1.346 175.182 176.600 -0.120 0.000 1.026 1208 E CA -0.735 55.590 56.400 -0.125 0.000 0.772 1208 E CB 0.411 30.022 29.700 -0.147 0.000 1.310 1208 E HN 0.096 nan 8.360 nan 0.000 0.413 1209 K N 2.190 122.516 120.400 -0.123 0.000 2.349 1209 K HA 0.503 4.825 4.320 0.002 0.000 0.288 1209 K C -0.269 176.289 176.600 -0.070 0.000 1.058 1209 K CA -0.436 55.792 56.287 -0.097 0.000 0.953 1209 K CB 0.799 33.236 32.500 -0.105 0.000 0.997 1209 K HN 0.235 nan 8.250 nan 0.000 0.477 1210 M N 4.066 123.627 119.600 -0.064 0.000 2.206 1210 M HA 0.221 4.702 4.480 0.002 0.000 0.272 1210 M C -1.301 174.971 176.300 -0.047 0.000 1.012 1210 M CA -0.813 54.456 55.300 -0.051 0.000 0.986 1210 M CB 1.311 33.866 32.600 -0.075 0.000 1.740 1210 M HN 0.651 nan 8.290 nan 0.000 0.472 1211 Y N 2.174 122.401 120.300 -0.123 0.000 2.509 1211 Y HA 0.010 4.561 4.550 0.002 0.000 0.293 1211 Y C 0.621 176.445 175.900 -0.126 0.000 1.133 1211 Y CA 2.074 60.096 58.100 -0.129 0.000 1.283 1211 Y CB 0.109 38.507 38.460 -0.103 0.000 1.001 1211 Y HN 0.806 nan 8.280 nan 0.000 0.555 1212 D N -0.373 119.935 120.400 -0.153 0.000 2.392 1212 D HA -0.028 4.614 4.640 0.002 0.000 0.228 1212 D C 1.415 177.573 176.300 -0.237 0.000 1.003 1212 D CA 1.041 54.937 54.000 -0.173 0.000 0.917 1212 D CB 0.029 40.783 40.800 -0.076 0.000 0.890 1212 D HN 0.359 nan 8.370 nan 0.000 0.532 1213 A N -0.125 122.507 122.820 -0.313 0.000 2.628 1213 A HA 0.595 4.917 4.320 0.002 0.000 0.267 1213 A C 1.569 178.903 177.584 -0.416 0.000 1.159 1213 A CA 0.069 51.931 52.037 -0.292 0.000 0.972 1213 A CB 0.342 19.204 19.000 -0.230 0.000 1.211 1213 A HN 0.132 nan 8.150 nan 0.000 0.576 1214 A N 0.026 122.471 122.820 -0.625 0.000 2.276 1214 A HA 0.244 4.565 4.320 0.002 0.000 0.212 1214 A C 1.690 178.858 177.584 -0.693 0.000 1.230 1214 A CA 1.282 52.765 52.037 -0.922 0.000 0.844 1214 A CB -0.178 18.273 19.000 -0.916 0.000 0.860 1214 A HN 0.294 nan 8.150 nan 0.000 0.486 1215 K N -1.151 119.019 120.400 -0.384 0.000 2.642 1215 K HA 0.119 4.440 4.320 0.002 0.000 0.214 1215 K C 1.205 177.763 176.600 -0.069 0.000 1.451 1215 K CA 0.352 56.561 56.287 -0.130 0.000 0.917 1215 K CB -0.822 31.578 32.500 -0.166 0.000 1.779 1215 K HN 0.234 nan 8.250 nan 0.000 0.447 1216 L N 2.235 123.391 121.223 -0.112 0.000 2.661 1216 L HA -0.024 4.318 4.340 0.002 0.000 0.236 1216 L C 1.564 178.414 176.870 -0.034 0.000 1.176 1216 L CA 0.994 55.801 54.840 -0.054 0.000 0.836 1216 L CB -0.135 41.889 42.059 -0.059 0.000 0.960 1216 L HN 0.357 nan 8.230 nan 0.000 0.455 1217 L N -3.433 117.761 121.223 -0.047 0.000 2.713 1217 L HA 0.060 4.402 4.340 0.002 0.000 0.223 1217 L C 1.712 178.637 176.870 0.092 0.000 1.040 1217 L CA 0.341 55.176 54.840 -0.008 0.000 0.894 1217 L CB -0.631 41.383 42.059 -0.074 0.000 1.361 1217 L HN 0.071 nan 8.230 nan 0.000 0.490 1218 Y N 0.762 120.977 120.300 -0.142 0.000 2.497 1218 Y HA -0.108 4.444 4.550 0.002 0.000 0.292 1218 Y C 1.978 177.813 175.900 -0.109 0.000 1.137 1218 Y CA 0.775 58.756 58.100 -0.199 0.000 1.285 1218 Y CB -0.596 37.711 38.460 -0.254 0.000 0.991 1218 Y HN 0.308 nan 8.280 nan 0.000 0.556 1219 N N 0.229 118.998 118.700 0.115 0.000 2.322 1219 N HA -0.007 4.734 4.740 0.002 0.000 0.216 1219 N C -0.186 175.360 175.510 0.059 0.000 1.144 1219 N CA 0.224 53.334 53.050 0.100 0.000 0.830 1219 N CB -0.198 38.343 38.487 0.089 0.000 1.034 1219 N HN 0.123 nan 8.380 nan 0.000 0.484 1220 N N -1.103 117.621 118.700 0.039 0.000 2.073 1220 N HA 0.102 4.843 4.740 0.002 0.000 0.227 1220 N C -1.099 174.414 175.510 0.004 0.000 1.367 1220 N CA 0.095 53.160 53.050 0.026 0.000 0.775 1220 N CB 1.268 39.773 38.487 0.029 0.000 1.234 1220 N HN -0.024 nan 8.380 nan 0.000 0.512 1221 V N -0.388 119.508 119.914 -0.031 0.000 3.157 1221 V HA 0.552 4.673 4.120 0.002 0.000 0.312 1221 V C -0.488 175.458 176.094 -0.248 0.000 1.502 1221 V CA -0.178 62.062 62.300 -0.099 0.000 0.997 1221 V CB 1.541 33.326 31.823 -0.062 0.000 1.053 1221 V HN 0.268 nan 8.190 nan 0.000 0.482 1222 S N -0.174 115.279 115.700 -0.413 0.000 3.565 1222 S HA 0.425 4.896 4.470 0.002 0.000 0.242 1222 S C 0.039 173.930 174.600 -1.182 0.000 1.023 1222 S CA 0.590 58.442 58.200 -0.579 0.000 1.300 1222 S CB 0.674 63.691 63.200 -0.305 0.000 1.198 1222 S HN 1.047 nan 8.310 nan 0.000 0.697 1223 N N 0.187 118.375 118.700 -0.854 0.000 2.716 1223 N HA -0.131 4.610 4.740 0.002 0.000 0.250 1223 N C -0.216 174.945 175.510 -0.581 0.000 1.033 1223 N CA 0.843 53.372 53.050 -0.869 0.000 0.727 1223 N CB -1.630 36.375 38.487 -0.802 0.000 0.950 1223 N HN 0.457 nan 8.380 nan 0.000 0.541 1224 F N -0.792 119.027 119.950 -0.219 0.000 2.147 1224 F HA 0.199 4.728 4.527 0.002 0.000 0.291 1224 F C 2.556 178.370 175.800 0.023 0.000 1.093 1224 F CA 1.350 59.340 58.000 -0.016 0.000 1.263 1224 F CB -0.701 38.277 39.000 -0.035 0.000 1.036 1224 F HN 0.264 nan 8.300 nan 0.000 0.481 1225 G N -0.774 108.105 108.800 0.132 0.000 2.432 1225 G HA2 -0.226 3.735 3.960 0.002 0.000 0.219 1225 G HA3 -0.226 3.735 3.960 0.002 0.000 0.219 1225 G C 1.493 176.405 174.900 0.021 0.000 1.135 1225 G CA 0.307 45.413 45.100 0.010 0.000 0.767 1225 G HN 0.038 nan 8.290 nan 0.000 0.550 1226 R N -0.120 120.346 120.500 -0.057 0.000 2.391 1226 R HA 0.345 4.686 4.340 0.002 0.000 0.225 1226 R C 1.592 178.076 176.300 0.307 0.000 1.079 1226 R CA 0.041 55.999 56.100 -0.237 0.000 1.147 1226 R CB -0.499 29.398 30.300 -0.671 0.000 1.103 1226 R HN 0.531 nan 8.270 nan 0.000 0.499 1227 L N -3.099 118.316 121.223 0.321 0.000 2.758 1227 L HA 0.445 4.787 4.340 0.002 0.000 0.234 1227 L C 0.993 178.012 176.870 0.247 0.000 1.049 1227 L CA 0.319 55.379 54.840 0.367 0.000 0.908 1227 L CB 0.122 42.501 42.059 0.533 0.000 1.362 1227 L HN 0.015 nan 8.230 nan 0.000 0.499 1228 A N -0.575 122.328 122.820 0.139 0.000 2.359 1228 A HA 0.417 4.738 4.320 0.002 0.000 0.240 1228 A C 1.162 178.753 177.584 0.011 0.000 1.306 1228 A CA 0.673 52.709 52.037 -0.002 0.000 0.898 1228 A CB -0.240 18.653 19.000 -0.178 0.000 0.956 1228 A HN 0.491 nan 8.150 nan 0.000 0.497 1229 S N -1.754 114.012 115.700 0.111 0.000 3.952 1229 S HA 0.078 4.550 4.470 0.002 0.000 0.211 1229 S C 0.650 175.295 174.600 0.076 0.000 1.098 1229 S CA 0.100 58.373 58.200 0.122 0.000 0.954 1229 S CB 0.082 63.394 63.200 0.187 0.000 1.222 1229 S HN 0.351 nan 8.310 nan 0.000 0.585 1230 T N 4.832 119.432 114.554 0.078 0.000 2.825 1230 T HA 0.515 4.866 4.350 0.002 0.000 0.270 1230 T C -0.418 174.233 174.700 -0.081 0.000 0.919 1230 T CA 0.324 62.326 62.100 -0.164 0.000 1.159 1230 T CB -1.406 67.052 68.868 -0.684 0.000 0.889 1230 T HN 0.501 nan 8.240 nan 0.000 0.565 1231 L N 1.595 122.780 121.223 -0.064 0.000 4.310 1231 L HA 0.332 4.673 4.340 0.002 0.000 0.204 1231 L C -1.248 175.606 176.870 -0.027 0.000 1.040 1231 L CA -0.941 53.876 54.840 -0.038 0.000 0.970 1231 L CB -0.570 41.480 42.059 -0.016 0.000 1.291 1231 L HN 0.260 nan 8.230 nan 0.000 0.328 1232 V N -0.870 119.040 119.914 -0.005 0.000 3.119 1232 V HA 0.683 4.804 4.120 0.002 0.000 0.309 1232 V C 0.878 177.017 176.094 0.075 0.000 1.304 1232 V CA 0.716 63.021 62.300 0.008 0.000 1.057 1232 V CB 1.590 33.414 31.823 0.001 0.000 1.150 1232 V HN 1.874 nan 8.190 nan 0.000 0.474 1233 H N -0.465 118.571 119.070 -0.056 0.000 3.641 1233 H HA -0.149 4.408 4.556 0.002 0.000 0.193 1233 H C 0.274 175.546 175.328 -0.093 0.000 1.013 1233 H CA 1.329 57.352 56.048 -0.041 0.000 1.212 1233 H CB -1.020 28.718 29.762 -0.040 0.000 1.089 1233 H HN 1.286 nan 8.280 nan 0.000 0.339 1234 L N -1.156 120.071 121.223 0.007 0.000 7.603 1234 L HA -0.203 4.139 4.340 0.002 0.000 0.092 1234 L C 1.571 178.219 176.870 -0.370 0.000 1.252 1234 L CA 2.893 57.663 54.840 -0.118 0.000 1.482 1234 L CB -1.390 40.631 42.059 -0.063 0.000 2.830 1234 L HN 0.456 nan 8.230 nan 0.000 1.159 1235 G N -0.755 107.679 108.800 -0.611 0.000 3.141 1235 G HA2 0.449 4.411 3.960 0.002 0.000 0.218 1235 G HA3 0.449 4.411 3.960 0.002 0.000 0.218 1235 G C 0.271 174.763 174.900 -0.679 0.000 1.170 1235 G CA 1.125 45.236 45.100 -1.649 0.000 0.769 1235 G HN 0.982 nan 8.290 nan 0.000 0.546 1236 E N -2.571 117.479 120.200 -0.250 0.000 4.501 1236 E HA -0.284 4.067 4.350 0.002 0.000 0.213 1236 E C 0.172 176.822 176.600 0.083 0.000 1.388 1236 E CA 0.721 57.131 56.400 0.017 0.000 2.220 1236 E CB -1.019 28.722 29.700 0.068 0.000 2.029 1236 E HN 0.156 nan 8.360 nan 0.000 0.523 1237 Y N 0.993 121.309 120.300 0.026 0.000 2.488 1237 Y HA 0.206 4.757 4.550 0.002 0.000 0.319 1237 Y C 0.973 176.909 175.900 0.059 0.000 1.212 1237 Y CA 0.893 59.017 58.100 0.041 0.000 1.273 1237 Y CB -0.005 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 0.040 119.805 119.800 -0.057 0.000 2.188 1238 Q HA 0.428 4.769 4.340 0.002 0.000 0.212 1238 Q C 1.109 177.158 176.000 0.081 0.000 0.846 1238 Q CA 0.581 56.361 55.803 -0.039 0.000 0.989 1238 Q CB 0.753 29.557 28.738 0.111 0.000 1.114 1238 Q HN 0.454 nan 8.270 nan 0.000 0.488 1239 A N -1.172 121.670 122.820 0.037 0.000 2.551 1239 A HA 0.636 4.958 4.320 0.002 0.000 0.252 1239 A C 1.401 179.012 177.584 0.046 0.000 1.199 1239 A CA 0.577 52.680 52.037 0.110 0.000 0.972 1239 A CB 0.365 19.436 19.000 0.117 0.000 1.153 1239 A HN 0.237 nan 8.150 nan 0.000 0.559 1240 A N -0.338 122.479 122.820 -0.006 0.000 1.920 1240 A HA 0.269 4.590 4.320 0.002 0.000 0.209 1240 A C 1.617 179.320 177.584 0.198 0.000 1.229 1240 A CA 1.237 53.224 52.037 -0.083 0.000 0.671 1240 A CB -0.580 18.307 19.000 -0.189 0.000 0.886 1240 A HN 0.439 nan 8.150 nan 0.000 0.461 1241 V N 1.041 121.053 119.914 0.164 0.000 3.284 1241 V HA -0.140 3.982 4.120 0.002 0.000 0.273 1241 V C 0.401 176.571 176.094 0.128 0.000 1.178 1241 V CA 1.982 64.383 62.300 0.168 0.000 1.177 1241 V CB -0.800 31.034 31.823 0.018 0.000 0.793 1241 V HN 0.509 nan 8.190 nan 0.000 0.536 1242 D N -1.609 118.866 120.400 0.126 0.000 2.567 1242 D HA 0.187 4.828 4.640 0.002 0.000 0.268 1242 D C 1.225 177.532 176.300 0.013 0.000 1.448 1242 D CA 0.844 54.887 54.000 0.072 0.000 0.811 1242 D CB 1.248 42.102 40.800 0.091 0.000 1.192 1242 D HN 0.406 nan 8.370 nan 0.000 0.488 1243 G N 0.794 109.654 108.800 0.100 0.000 2.534 1243 G HA2 0.270 4.231 3.960 0.002 0.000 0.220 1243 G HA3 0.270 4.231 3.960 0.002 0.000 0.220 1243 G C 1.318 176.366 174.900 0.246 0.000 1.699 1243 G CA 0.626 45.772 45.100 0.077 0.000 0.769 1243 G HN 0.132 nan 8.290 nan 0.000 0.632 1244 A N 0.657 123.822 122.820 0.575 0.000 2.259 1244 A HA 0.053 4.375 4.320 0.002 0.000 0.212 1244 A C 2.171 179.876 177.584 0.201 0.000 1.178 1244 A CA 1.552 53.861 52.037 0.452 0.000 0.734 1244 A CB -0.504 18.697 19.000 0.336 0.000 0.774 1244 A HN 0.408 nan 8.150 nan 0.000 0.481 1245 R N 0.781 121.393 120.500 0.187 0.000 2.091 1245 R HA -0.164 4.178 4.340 0.002 0.000 0.238 1245 R C 1.027 177.320 176.300 -0.011 0.000 1.136 1245 R CA 2.000 58.124 56.100 0.040 0.000 0.959 1245 R CB -0.264 30.056 30.300 0.032 0.000 0.856 1245 R HN 0.517 nan 8.270 nan 0.000 0.437 1246 K N 0.109 120.490 120.400 -0.031 0.000 2.404 1246 K HA 0.257 4.578 4.320 0.002 0.000 0.194 1246 K C 0.329 176.918 176.600 -0.019 0.000 1.023 1246 K CA 0.462 56.721 56.287 -0.048 0.000 1.094 1246 K CB 0.563 33.000 32.500 -0.105 0.000 0.841 1246 K HN 0.292 nan 8.250 nan 0.000 0.523 1247 A N 2.146 124.970 122.820 0.007 0.000 2.091 1247 A HA -0.225 4.097 4.320 0.002 0.000 0.270 1247 A C -0.446 177.160 177.584 0.038 0.000 1.368 1247 A CA 0.381 52.418 52.037 0.001 0.000 0.745 1247 A CB -1.993 16.978 19.000 -0.049 0.000 1.173 1247 A HN 0.509 nan 8.150 nan 0.000 0.322 1248 N N 0.351 119.132 118.700 0.135 0.000 2.290 1248 N HA 0.428 5.169 4.740 0.002 0.000 0.269 1248 N C 0.626 176.213 175.510 0.129 0.000 1.295 1248 N CA 0.390 53.521 53.050 0.134 0.000 0.932 1248 N CB 0.166 38.755 38.487 0.171 0.000 1.128 1248 N HN 0.505 nan 8.380 nan 0.000 0.532 1249 S N 0.364 116.125 115.700 0.102 0.000 2.546 1249 S HA 0.015 4.487 4.470 0.002 0.000 0.290 1249 S C -0.042 174.625 174.600 0.111 0.000 1.262 1249 S CA -0.346 57.896 58.200 0.070 0.000 1.083 1249 S CB -0.756 62.471 63.200 0.045 0.000 0.859 1249 S HN 0.585 nan 8.310 nan 0.000 0.495 1250 T N 4.038 118.626 114.554 0.056 0.000 2.830 1250 T HA 0.089 4.440 4.350 0.002 0.000 0.282 1250 T C 0.067 174.828 174.700 0.102 0.000 1.024 1250 T CA -0.279 61.856 62.100 0.057 0.000 1.144 1250 T CB -0.154 68.686 68.868 -0.047 0.000 1.035 1250 T HN 0.715 nan 8.240 nan 0.000 0.507 1251 R N 1.126 121.744 120.500 0.198 0.000 5.633 1251 R HA -0.070 4.272 4.340 0.002 0.000 0.192 1251 R C 1.164 177.502 176.300 0.063 0.000 0.824 1251 R CA 1.038 57.208 56.100 0.116 0.000 1.147 1251 R CB -2.050 28.283 30.300 0.054 0.000 1.364 1251 R HN 2.011 nan 8.270 nan 0.000 0.599 1252 T N -4.768 109.764 114.554 -0.037 0.000 8.650 1252 T HA -0.275 4.076 4.350 0.002 0.000 0.321 1252 T C 0.939 175.472 174.700 -0.278 0.000 2.013 1252 T CA 2.265 64.254 62.100 -0.184 0.000 3.192 1252 T CB -1.601 67.070 68.868 -0.329 0.000 2.061 1252 T HN 0.592 nan 8.240 nan 0.000 1.035 1253 W N 1.653 122.929 121.300 -0.039 0.000 2.630 1253 W HA 0.488 5.149 4.660 0.002 0.000 0.275 1253 W C 2.386 178.777 176.519 -0.212 0.000 1.192 1253 W CA 0.507 57.777 57.345 -0.125 0.000 1.410 1253 W CB 0.037 29.323 29.460 -0.291 0.000 1.075 1253 W HN 0.174 nan 8.180 nan 0.000 0.581 1254 K N 0.964 121.339 120.400 -0.041 0.000 2.589 1254 K HA -0.170 4.152 4.320 0.002 0.000 0.195 1254 K C 0.978 177.881 176.600 0.505 0.000 1.042 1254 K CA 1.206 57.539 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 0.448 nan 8.250 nan 0.000 0.487 1255 E N -0.485 120.011 120.200 0.493 0.000 2.290 1255 E HA -0.034 4.318 4.350 0.002 0.000 0.195 1255 E C 1.966 178.892 176.600 0.544 0.000 0.938 1255 E CA 0.143 56.834 56.400 0.484 0.000 1.018 1255 E CB 0.036 29.875 29.700 0.231 0.000 1.042 1255 E HN -0.088 nan 8.360 nan 0.000 0.483 1256 V N 1.937 122.071 119.914 0.368 0.000 2.231 1256 V HA -0.361 3.760 4.120 0.002 0.000 0.250 1256 V C 2.550 178.796 176.094 0.253 0.000 1.058 1256 V CA 2.114 64.571 62.300 0.261 0.000 1.022 1256 V CB -0.600 31.329 31.823 0.177 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 0.441 0.000 2.448 1257 C HA -0.057 4.404 4.460 0.002 0.000 0.280 1257 C C 2.559 177.457 174.990 -0.153 0.000 1.398 1257 C CA 0.279 59.440 59.018 0.239 0.000 1.774 1257 C CB -1.415 26.577 27.740 0.420 0.000 1.888 1257 C HN 0.636 nan 8.230 nan 0.000 0.519 1258 F N 3.167 122.808 119.950 -0.516 0.000 2.014 1258 F HA 0.066 4.595 4.527 0.003 0.000 0.295 1258 F C 2.164 177.867 175.800 -0.163 0.000 1.145 1258 F CA 1.944 59.629 58.000 -0.524 0.000 1.178 1258 F CB -1.212 37.692 39.000 -0.160 0.000 0.972 1258 F HN 0.127 nan 8.300 nan 0.000 0.476 1259 A N -0.635 121.759 122.820 -0.710 0.000 2.272 1259 A HA -0.129 4.192 4.320 0.002 0.000 0.213 1259 A C 2.067 179.412 177.584 -0.398 0.000 1.183 1259 A CA 1.511 53.114 52.037 -0.722 0.000 0.719 1259 A CB -1.819 17.023 19.000 -0.264 0.000 0.771 1259 A HN 0.643 nan 8.150 nan 0.000 0.484 1260 C N -1.932 117.212 119.300 -0.259 0.000 2.611 1260 C HA 0.027 4.488 4.460 0.002 0.000 0.283 1260 C C 2.599 177.484 174.990 -0.175 0.000 1.340 1260 C CA 0.690 59.634 59.018 -0.122 0.000 1.716 1260 C CB -0.963 26.811 27.740 0.057 0.000 2.134 1260 C HN 0.528 nan 8.230 nan 0.000 0.526 1261 V N 2.671 122.462 119.914 -0.205 0.000 2.370 1261 V HA -0.296 3.826 4.120 0.002 0.000 0.252 1261 V C 2.034 177.873 176.094 -0.425 0.000 1.068 1261 V CA 2.797 64.805 62.300 -0.487 0.000 1.061 1261 V CB -1.288 30.028 31.823 -0.846 0.000 0.656 1261 V HN 0.705 nan 8.190 nan 0.000 0.455 1262 D N 1.519 121.693 120.400 -0.378 0.000 2.084 1262 D HA 0.073 4.715 4.640 0.002 0.000 0.196 1262 D C 1.157 177.295 176.300 -0.269 0.000 0.985 1262 D CA 1.502 55.318 54.000 -0.306 0.000 0.826 1262 D CB -0.355 40.262 40.800 -0.305 0.000 0.978 1262 D HN 0.537 nan 8.370 nan 0.000 0.456 1263 G N -1.261 107.374 108.800 -0.275 0.000 2.448 1263 G HA2 0.481 4.442 3.960 0.002 0.000 0.324 1263 G HA3 0.481 4.442 3.960 0.002 0.000 0.324 1263 G C -1.098 173.633 174.900 -0.281 0.000 1.203 1263 G CA -0.732 44.213 45.100 -0.258 0.000 0.954 1263 G HN 0.387 nan 8.290 nan 0.000 0.480 1264 K N 1.354 121.524 120.400 -0.384 0.000 4.522 1264 K HA -0.124 4.198 4.320 0.002 0.000 0.478 1264 K C -0.033 176.275 176.600 -0.486 0.000 1.162 1264 K CA 0.383 56.327 56.287 -0.572 0.000 1.206 1264 K CB -0.945 31.382 32.500 -0.288 0.000 1.680 1264 K HN 0.711 nan 8.250 nan 0.000 0.407 1265 E N 2.519 122.397 120.200 -0.537 0.000 2.303 1265 E HA 0.004 4.355 4.350 0.002 0.000 0.211 1265 E C 0.169 176.660 176.600 -0.182 0.000 1.223 1265 E CA -0.237 55.987 56.400 -0.294 0.000 1.344 1265 E CB -0.037 29.525 29.700 -0.230 0.000 1.299 1265 E HN 0.369 nan 8.360 nan 0.000 0.441 1266 F N 0.298 120.225 119.950 -0.039 0.000 2.710 1266 F HA 0.148 4.676 4.527 0.002 0.000 0.298 1266 F C 1.191 176.973 175.800 -0.029 0.000 1.137 1266 F CA 0.021 57.997 58.000 -0.040 0.000 1.444 1266 F CB -0.084 38.888 39.000 -0.046 0.000 1.111 1266 F HN 0.013 nan 8.300 nan 0.000 0.580 1267 R N -0.066 120.516 120.500 0.138 0.000 3.527 1267 R HA -0.169 4.172 4.340 0.002 0.000 0.288 1267 R C 0.334 176.707 176.300 0.123 0.000 1.146 1267 R CA -0.039 56.130 56.100 0.115 0.000 0.778 1267 R CB -1.868 28.479 30.300 0.079 0.000 1.289 1267 R HN 0.306 nan 8.270 nan 0.000 0.454 1268 L N -0.861 120.458 121.223 0.160 0.000 2.650 1268 L HA 0.097 4.438 4.340 0.002 0.000 0.235 1268 L C 1.483 178.452 176.870 0.166 0.000 1.149 1268 L CA 0.970 55.901 54.840 0.153 0.000 0.887 1268 L CB 0.234 42.414 42.059 0.201 0.000 1.021 1268 L HN 0.383 nan 8.230 nan 0.000 0.441 1269 A N -1.388 121.534 122.820 0.170 0.000 2.676 1269 A HA 0.263 4.584 4.320 0.002 0.000 0.297 1269 A C 1.202 178.821 177.584 0.059 0.000 1.132 1269 A CA -0.227 51.916 52.037 0.176 0.000 0.972 1269 A CB 0.258 19.423 19.000 0.276 0.000 1.197 1269 A HN 0.151 nan 8.150 nan 0.000 0.524 1270 Q N -1.710 118.131 119.800 0.068 0.000 2.342 1270 Q HA 0.272 4.614 4.340 0.002 0.000 0.261 1270 Q C 1.517 177.574 176.000 0.095 0.000 0.841 1270 Q CA 0.632 56.447 55.803 0.021 0.000 0.969 1270 Q CB 0.154 28.889 28.738 -0.004 0.000 1.136 1270 Q HN 0.606 nan 8.270 nan 0.000 0.528 1271 M N -0.345 119.336 119.600 0.135 0.000 2.216 1271 M HA -0.013 4.468 4.480 0.002 0.000 0.264 1271 M C 2.035 178.511 176.300 0.293 0.000 1.080 1271 M CA 1.008 56.424 55.300 0.194 0.000 1.153 1271 M CB -0.334 32.392 32.600 0.210 0.000 1.356 1271 M HN 0.259 nan 8.290 nan 0.000 0.432 1272 C N 0.502 119.961 119.300 0.264 0.000 2.466 1272 C HA 0.121 4.582 4.460 0.002 0.000 0.283 1272 C C 2.324 177.475 174.990 0.268 0.000 1.472 1272 C CA 0.475 59.651 59.018 0.263 0.000 1.765 1272 C CB -2.147 25.730 27.740 0.227 0.000 1.724 1272 C HN 0.672 nan 8.230 nan 0.000 0.560 1273 G N 1.046 109.987 108.800 0.235 0.000 2.662 1273 G HA2 -0.037 3.924 3.960 0.002 0.000 0.215 1273 G HA3 -0.037 3.924 3.960 0.002 0.000 0.215 1273 G C 1.140 176.131 174.900 0.150 0.000 1.310 1273 G CA 0.899 46.146 45.100 0.244 0.000 0.849 1273 G HN 0.409 nan 8.290 nan 0.000 0.568 1274 L N 0.707 122.007 121.223 0.128 0.000 2.351 1274 L HA -0.056 4.285 4.340 0.002 0.000 0.220 1274 L C 2.393 179.273 176.870 0.017 0.000 1.127 1274 L CA 1.135 56.004 54.840 0.049 0.000 0.786 1274 L CB -0.983 41.090 42.059 0.022 0.000 0.914 1274 L HN 0.313 nan 8.230 nan 0.000 0.443 1275 H N 1.025 120.085 119.070 -0.016 0.000 2.261 1275 H HA -0.094 4.464 4.556 0.002 0.000 0.301 1275 H C 2.261 177.451 175.328 -0.231 0.000 1.067 1275 H CA 2.335 58.357 56.048 -0.044 0.000 1.297 1275 H CB -0.065 29.738 29.762 0.068 0.000 1.377 1275 H HN 0.452 nan 8.280 nan 0.000 0.492 1276 I N 0.491 120.961 120.570 -0.166 0.000 2.493 1276 I HA -0.137 4.034 4.170 0.002 0.000 0.254 1276 I C 2.457 178.207 176.117 -0.612 0.000 1.160 1276 I CA 1.311 62.041 61.300 -0.949 0.000 1.445 1276 I CB -0.579 36.779 38.000 -1.071 0.000 1.086 1276 I HN 0.096 nan 8.210 nan 0.000 0.433 1277 V N 0.485 120.256 119.914 -0.239 0.000 2.223 1277 V HA -0.146 3.975 4.120 0.002 0.000 0.244 1277 V C 1.817 177.959 176.094 0.080 0.000 1.045 1277 V CA 1.018 63.334 62.300 0.025 0.000 1.000 1277 V CB -1.709 30.125 31.823 0.019 0.000 0.635 1277 V HN 0.268 nan 8.190 nan 0.000 0.445 1278 V N 4.819 124.670 119.914 -0.105 0.000 5.596 1278 V HA -0.194 3.927 4.120 0.002 0.000 0.121 1278 V C 0.397 176.447 176.094 -0.073 0.000 0.747 1278 V CA 1.748 63.972 62.300 -0.127 0.000 0.524 1278 V CB -2.596 29.152 31.823 -0.124 0.000 0.164 1278 V HN 1.119 nan 8.190 nan 0.000 0.310 1279 H N 0.425 119.433 119.070 -0.103 0.000 2.930 1279 H HA 0.781 5.338 4.556 0.003 0.000 0.371 1279 H C 0.212 175.487 175.328 -0.087 0.000 1.169 1279 H CA -0.488 55.495 56.048 -0.108 0.000 1.157 1279 H CB 2.111 31.794 29.762 -0.131 0.000 1.789 1279 H HN 0.133 nan 8.280 nan 0.000 0.547 1280 A N 1.610 124.387 122.820 -0.071 0.000 1.909 1280 A HA -0.072 4.250 4.320 0.002 0.000 0.209 1280 A C 1.471 178.740 177.584 -0.525 0.000 1.247 1280 A CA 1.138 53.022 52.037 -0.255 0.000 0.660 1280 A CB -0.298 18.592 19.000 -0.183 0.000 0.910 1280 A HN 0.696 nan 8.150 nan 0.000 0.465 1281 D N -0.328 119.919 120.400 -0.256 0.000 2.339 1281 D HA 0.106 4.747 4.640 0.002 0.000 0.217 1281 D C 0.698 176.956 176.300 -0.070 0.000 1.050 1281 D CA 0.127 53.999 54.000 -0.214 0.000 0.856 1281 D CB 0.121 40.843 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 4.798 4.350 0.002 0.000 0.262 1282 E C 0.288 177.014 176.600 0.209 0.000 1.341 1282 E CA -0.349 56.054 56.400 0.004 0.000 1.140 1282 E CB 0.439 29.842 29.700 -0.495 0.000 1.306 1282 E HN -0.089 nan 8.360 nan 0.000 0.694 1283 L N -0.597 120.465 121.223 -0.268 0.000 2.123 1283 L HA -0.128 4.213 4.340 0.002 0.000 0.482 1283 L C 0.799 177.708 176.870 0.064 0.000 0.760 1283 L CA 0.985 55.956 54.840 0.218 0.000 2.423 1283 L CB -1.499 40.891 42.059 0.551 0.000 1.140 1283 L HN 0.656 nan 8.230 nan 0.000 0.553 1284 E N 0.549 120.732 120.200 -0.028 0.000 2.132 1284 E HA -0.014 4.338 4.350 0.002 0.000 0.193 1284 E C 1.577 178.160 176.600 -0.027 0.000 0.951 1284 E CA 1.118 57.517 56.400 -0.002 0.000 0.843 1284 E CB 0.347 30.043 29.700 -0.005 0.000 0.807 1284 E HN 0.618 nan 8.360 nan 0.000 0.467 1285 E N 0.451 120.596 120.200 -0.092 0.000 2.268 1285 E HA -0.146 4.206 4.350 0.002 0.000 0.195 1285 E C 1.688 178.225 176.600 -0.105 0.000 0.995 1285 E CA 0.257 56.599 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 1.345 122.490 121.223 -0.131 0.000 2.693 1286 L HA 0.065 4.407 4.340 0.002 0.000 0.242 1286 L C 0.342 177.254 176.870 0.069 0.000 1.157 1286 L CA 0.508 55.288 54.840 -0.099 0.000 0.929 1286 L CB 0.131 42.130 42.059 -0.100 0.000 1.103 1286 L HN 0.216 nan 8.230 nan 0.000 0.430 1287 I N -3.435 117.198 120.570 0.106 0.000 3.007 1287 I HA 0.484 4.655 4.170 0.002 0.000 0.333 1287 I C -0.058 176.167 176.117 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 0.053 4.794 4.740 0.002 0.000 0.224 1288 N C 0.039 175.692 175.510 0.238 0.000 1.381 1288 N CA 0.076 53.229 53.050 0.172 0.000 0.746 1288 N CB 0.589 39.138 38.487 0.104 0.000 1.213 1288 N HN 0.548 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 4.837 4.550 0.002 0.000 0.257 1289 Y C 0.025 176.121 175.900 0.327 0.000 1.090 1289 Y CA 0.077 58.283 58.100 0.177 0.000 1.242 1289 Y CB 0.517 39.014 38.460 0.062 0.000 1.325 1289 Y HN -0.126 nan 8.280 nan 0.000 0.544 1290 Y N 0.967 121.422 120.300 0.257 0.000 2.675 1290 Y HA 0.339 4.891 4.550 0.002 0.000 0.248 1290 Y C 0.852 176.830 175.900 0.130 0.000 1.161 1290 Y CA -0.392 57.826 58.100 0.197 0.000 1.203 1290 Y CB 0.323 38.892 38.460 0.182 0.000 1.262 1290 Y HN 0.344 nan 8.280 nan 0.000 0.544 1291 Q N -1.208 118.754 119.800 0.269 0.000 2.517 1291 Q HA 0.051 4.392 4.340 0.002 0.000 0.188 1291 Q C 1.115 177.195 176.000 0.133 0.000 0.736 1291 Q CA 0.036 55.967 55.803 0.214 0.000 0.834 1291 Q CB 0.426 29.333 28.738 0.282 0.000 1.198 1291 Q HN -0.006 nan 8.270 nan 0.000 0.596 1292 D N 1.515 122.005 120.400 0.151 0.000 2.244 1292 D HA -0.199 4.443 4.640 0.002 0.000 0.197 1292 D C 1.264 177.597 176.300 0.055 0.000 1.006 1292 D CA 1.358 55.428 54.000 0.118 0.000 0.888 1292 D CB -0.044 40.832 40.800 0.126 0.000 0.912 1292 D HN 0.118 nan 8.370 nan 0.000 0.452 1293 R N -0.170 120.327 120.500 -0.004 0.000 2.426 1293 R HA 0.209 4.550 4.340 0.002 0.000 0.263 1293 R C 0.398 176.486 176.300 -0.353 0.000 0.961 1293 R CA 0.149 56.158 56.100 -0.150 0.000 1.086 1293 R CB 0.407 30.594 30.300 -0.188 0.000 1.186 1293 R HN 0.043 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 3.675 3.960 0.002 0.000 0.254 1294 G HA3 -0.286 3.675 3.960 0.002 0.000 0.254 1294 G C -0.272 173.958 174.900 -1.116 0.000 0.879 1294 G CA 0.052 44.641 45.100 -0.852 0.000 1.287 1294 G HN 0.387 nan 8.290 nan 0.000 0.383 1295 Y N 1.284 120.779 120.300 -1.342 0.000 2.638 1295 Y HA 0.303 4.854 4.550 0.002 0.000 0.275 1295 Y C 2.383 177.840 175.900 -0.738 0.000 1.122 1295 Y CA 0.076 57.677 58.100 -0.831 0.000 1.266 1295 Y CB -0.451 37.640 38.460 -0.615 0.000 1.317 1295 Y HN 0.514 nan 8.280 nan 0.000 0.501 1296 F N -0.212 119.706 119.950 -0.053 0.000 3.392 1296 F HA -0.506 4.022 4.527 0.002 0.000 0.290 1296 F C 1.990 177.717 175.800 -0.122 0.000 1.467 1296 F CA 1.163 59.083 58.000 -0.132 0.000 1.548 1296 F CB -1.669 37.182 39.000 -0.248 0.000 0.654 1296 F HN -0.030 nan 8.300 nan 0.000 0.551 1297 E N 0.363 120.653 120.200 0.149 0.000 2.914 1297 E HA -0.347 4.004 4.350 0.002 0.000 0.218 1297 E C 1.698 178.288 176.600 -0.017 0.000 0.897 1297 E CA 2.396 58.822 56.400 0.044 0.000 1.465 1297 E CB -1.245 28.477 29.700 0.037 0.000 1.468 1297 E HN 0.720 nan 8.360 nan 0.000 0.462 1298 E N 0.297 120.456 120.200 -0.068 0.000 2.219 1298 E HA -0.180 4.172 4.350 0.002 0.000 0.198 1298 E C 2.203 178.664 176.600 -0.232 0.000 0.998 1298 E CA 0.850 57.160 56.400 -0.150 0.000 0.818 1298 E CB -0.323 29.244 29.700 -0.220 0.000 0.741 1298 E HN 0.257 nan 8.360 nan 0.000 0.477 1299 L N 0.890 121.944 121.223 -0.282 0.000 2.162 1299 L HA -0.016 4.325 4.340 0.002 0.000 0.205 1299 L C 1.987 178.861 176.870 0.007 0.000 1.086 1299 L CA 0.981 55.682 54.840 -0.232 0.000 0.778 1299 L CB -0.306 41.601 42.059 -0.254 0.000 0.928 1299 L HN 0.100 nan 8.230 nan 0.000 0.446 1300 I N -3.434 117.167 120.570 0.051 0.000 3.680 1300 I HA 0.124 4.295 4.170 0.002 0.000 0.306 1300 I C 0.622 176.798 176.117 0.099 0.000 1.260 1300 I CA 0.923 62.298 61.300 0.124 0.000 1.201 1300 I CB -0.932 37.152 38.000 0.140 0.000 1.009 1300 I HN 0.044 nan 8.210 nan 0.000 0.467 1301 T N -0.637 113.943 114.554 0.044 0.000 3.087 1301 T HA 0.255 4.606 4.350 0.002 0.000 0.283 1301 T C 1.260 175.972 174.700 0.019 0.000 0.956 1301 T CA -0.075 62.044 62.100 0.032 0.000 0.894 1301 T CB 0.247 69.121 68.868 0.010 0.000 1.160 1301 T HN 0.284 nan 8.240 nan 0.000 0.532 1302 M N 1.905 121.518 119.600 0.022 0.000 2.398 1302 M HA 0.242 4.723 4.480 0.002 0.000 0.261 1302 M C 1.726 178.035 176.300 0.015 0.000 1.125 1302 M CA 1.343 56.660 55.300 0.027 0.000 1.183 1302 M CB -0.756 31.885 32.600 0.069 0.000 1.322 1302 M HN 0.250 nan 8.290 nan 0.000 0.467 1303 L N -0.054 121.184 121.223 0.024 0.000 2.263 1303 L HA -0.184 4.157 4.340 0.002 0.000 0.216 1303 L C 1.882 178.716 176.870 -0.061 0.000 1.111 1303 L CA 1.123 55.952 54.840 -0.018 0.000 0.773 1303 L CB -1.428 40.627 42.059 -0.005 0.000 0.906 1303 L HN 0.306 nan 8.230 nan 0.000 0.439 1304 E N 0.585 120.770 120.200 -0.024 0.000 2.393 1304 E HA -0.212 4.140 4.350 0.002 0.000 0.201 1304 E C 1.831 178.400 176.600 -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 29.790 29.700 0.011 0.000 0.771 1304 E HN 0.713 nan 8.360 nan 0.000 0.526 1305 A N 0.078 122.866 122.820 -0.053 0.000 1.917 1305 A HA 0.405 4.727 4.320 0.002 0.000 0.200 1305 A C 2.157 179.703 177.584 -0.064 0.000 1.671 1305 A CA 0.536 52.542 52.037 -0.051 0.000 1.034 1305 A CB -0.217 18.765 19.000 -0.031 0.000 1.057 1305 A HN 0.177 nan 8.150 nan 0.000 0.507 1306 A N 0.011 122.793 122.820 -0.063 0.000 2.032 1306 A HA -0.075 4.246 4.320 0.002 0.000 0.221 1306 A C 1.751 179.293 177.584 -0.069 0.000 1.165 1306 A CA 1.802 53.799 52.037 -0.067 0.000 0.645 1306 A CB -0.510 18.444 19.000 -0.076 0.000 0.807 1306 A HN 0.403 nan 8.150 nan 0.000 0.453 1307 L N -1.006 120.148 121.223 -0.115 0.000 2.395 1307 L HA 0.090 4.431 4.340 0.002 0.000 0.218 1307 L C 2.407 179.212 176.870 -0.109 0.000 1.130 1307 L CA 1.426 56.179 54.840 -0.145 0.000 0.826 1307 L CB -0.639 41.168 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 -0.090 0.000 2.838 1308 G HA2 0.150 4.111 3.960 0.002 0.000 0.210 1308 G HA3 0.150 4.111 3.960 0.002 0.000 0.210 1308 G C 0.838 175.725 174.900 -0.022 0.000 1.153 1308 G CA -0.322 44.746 45.100 -0.054 0.000 0.778 1308 G HN 0.139 nan 8.290 nan 0.000 0.539 1309 L N 0.265 121.475 121.223 -0.022 0.000 2.472 1309 L HA 0.047 4.389 4.340 0.002 0.000 0.273 1309 L C 1.851 178.722 176.870 0.002 0.000 1.254 1309 L CA -0.066 54.766 54.840 -0.013 0.000 0.823 1309 L CB 0.483 42.532 42.059 -0.018 0.000 1.096 1309 L HN 0.145 nan 8.230 nan 0.000 0.521 1310 E N 0.375 120.575 120.200 -0.001 0.000 2.472 1310 E HA -0.156 4.196 4.350 0.002 0.000 0.200 1310 E C 1.134 177.740 176.600 0.010 0.000 1.046 1310 E CA 0.735 57.137 56.400 0.004 0.000 0.871 1310 E CB 0.281 29.980 29.700 -0.002 0.000 0.806 1310 E HN 0.377 nan 8.360 nan 0.000 0.533 1311 R N -0.261 120.249 120.500 0.017 0.000 2.690 1311 R HA 0.294 4.636 4.340 0.002 0.000 0.419 1311 R C -0.948 175.406 176.300 0.090 0.000 1.090 1311 R CA 0.020 56.137 56.100 0.027 0.000 1.064 1311 R CB 0.851 31.152 30.300 0.001 0.000 1.391 1311 R HN -0.005 nan 8.270 nan 0.000 0.586 1312 A N 0.982 123.858 122.820 0.094 0.000 2.363 1312 A HA 0.377 4.698 4.320 0.002 0.000 0.270 1312 A C -0.274 177.385 177.584 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 0.934 119.970 119.070 -0.056 0.000 3.513 1313 H HA 0.481 5.038 4.556 0.002 0.000 0.278 1313 H C 1.025 176.157 175.328 -0.327 0.000 1.683 1313 H CA -0.354 55.605 56.048 -0.148 0.000 1.552 1313 H CB 0.441 30.148 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 -0.213 0.000 2.276 1314 M HA 0.106 4.588 4.480 0.002 0.000 0.262 1314 M C 2.146 178.295 176.300 -0.251 0.000 1.098 1314 M CA 1.783 56.865 55.300 -0.362 0.000 1.167 1314 M CB -0.596 31.891 32.600 -0.187 0.000 1.337 1314 M HN 0.729 nan 8.290 nan 0.000 0.446 1315 G N 1.381 110.144 108.800 -0.062 0.000 2.547 1315 G HA2 -0.314 3.647 3.960 0.002 0.000 0.221 1315 G HA3 -0.314 3.647 3.960 0.002 0.000 0.221 1315 G C 1.359 176.241 174.900 -0.031 0.000 1.140 1315 G CA 1.598 46.704 45.100 0.010 0.000 0.760 1315 G HN 0.510 nan 8.290 nan 0.000 0.583 1316 M N -0.139 119.350 119.600 -0.186 0.000 2.399 1316 M HA -0.083 4.398 4.480 0.002 0.000 0.263 1316 M C 2.489 178.895 176.300 0.176 0.000 1.067 1316 M CA 2.013 57.296 55.300 -0.029 0.000 1.084 1316 M CB -1.093 31.469 32.600 -0.063 0.000 1.252 1316 M HN 0.283 nan 8.290 nan 0.000 0.454 1317 F N 0.316 120.171 119.950 -0.159 0.000 2.111 1317 F HA -0.290 4.239 4.527 0.002 0.000 0.300 1317 F C 2.672 178.477 175.800 0.008 0.000 1.088 1317 F CA 1.136 59.120 58.000 -0.026 0.000 1.243 1317 F CB -1.355 37.647 39.000 0.003 0.000 0.996 1317 F HN 0.293 nan 8.300 nan 0.000 0.483 1318 T N -0.096 114.570 114.554 0.187 0.000 2.569 1318 T HA -0.190 4.161 4.350 0.002 0.000 0.263 1318 T C 1.738 176.461 174.700 0.039 0.000 1.074 1318 T CA 1.625 63.773 62.100 0.081 0.000 1.176 1318 T CB -0.385 68.511 68.868 0.048 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 4.227 4.350 0.002 0.000 0.196 1319 E C 2.214 178.852 176.600 0.062 0.000 0.998 1319 E CA 0.631 57.073 56.400 0.070 0.000 0.806 1319 E CB -0.840 28.920 29.700 0.099 0.000 0.738 1319 E HN 0.326 nan 8.360 nan 0.000 0.459 1320 L N 0.961 122.204 121.223 0.033 0.000 2.081 1320 L HA -0.162 4.179 4.340 0.002 0.000 0.212 1320 L C 2.140 178.952 176.870 -0.096 0.000 1.080 1320 L CA 2.178 57.008 54.840 -0.017 0.000 0.754 1320 L CB -0.734 41.267 42.059 -0.096 0.000 0.893 1320 L HN 0.073 nan 8.230 nan 0.000 0.433 1321 A N -0.250 122.458 122.820 -0.187 0.000 1.897 1321 A HA -0.104 4.218 4.320 0.002 0.000 0.215 1321 A C 2.203 179.757 177.584 -0.052 0.000 1.181 1321 A CA 1.630 53.534 52.037 -0.223 0.000 0.620 1321 A CB -0.845 18.005 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 -0.013 0.000 2.502 1322 I HA -0.292 3.880 4.170 0.002 0.000 0.258 1322 I C 2.054 178.192 176.117 0.034 0.000 1.172 1322 I CA 0.958 62.253 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 -1.410 119.930 121.223 0.195 0.000 2.185 1323 L HA -0.069 4.272 4.340 0.002 0.000 0.198 1323 L C 2.403 179.498 176.870 0.375 0.000 1.079 1323 L CA 0.683 55.799 54.840 0.460 0.000 0.780 1323 L CB -0.858 41.465 42.059 0.439 0.000 0.955 1323 L HN 0.012 nan 8.230 nan 0.000 0.462 1324 Y N 1.371 121.699 120.300 0.046 0.000 2.365 1324 Y HA -0.263 4.289 4.550 0.002 0.000 0.287 1324 Y C 3.012 178.853 175.900 -0.098 0.000 1.162 1324 Y CA 1.042 59.138 58.100 -0.008 0.000 1.260 1324 Y CB -0.859 37.566 38.460 -0.058 0.000 0.976 1324 Y HN 0.335 nan 8.280 nan 0.000 0.548 1325 S N 0.673 116.340 115.700 -0.056 0.000 2.336 1325 S HA -0.137 4.335 4.470 0.002 0.000 0.214 1325 S C 0.986 175.374 174.600 -0.354 0.000 1.032 1325 S CA 0.882 58.947 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 0.502 120.519 120.400 -0.638 0.000 2.423 1326 K HA 0.540 4.862 4.320 0.002 0.000 0.234 1326 K C -1.310 174.512 176.600 -1.296 0.000 1.051 1326 K CA -0.545 55.347 56.287 -0.659 0.000 1.021 1326 K CB 0.324 32.397 32.500 -0.713 0.000 1.474 1326 K HN 0.373 nan 8.250 nan 0.000 0.474 1327 F N 0.164 120.045 119.950 -0.114 0.000 1.971 1327 F HA 0.171 4.699 4.527 0.002 0.000 0.229 1327 F C -0.587 175.138 175.800 -0.125 0.000 1.299 1327 F CA -0.736 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 0.049 nan 8.300 nan 0.000 0.102 1328 K N 3.285 123.736 120.400 0.084 0.000 2.307 1328 K HA 0.178 4.499 4.320 0.002 0.000 0.285 1328 K C -2.265 174.282 176.600 -0.088 0.000 1.073 1328 K CA -1.040 55.206 56.287 -0.068 0.000 0.996 1328 K CB 0.613 32.986 32.500 -0.212 0.000 0.994 1328 K HN -0.013 nan 8.250 nan 0.000 0.452 1329 P HA -0.256 nan 4.420 nan 0.000 0.197 1329 P C 0.904 178.188 177.300 -0.028 0.000 1.076 1329 P CA 0.659 63.738 63.100 -0.035 0.000 0.876 1329 P CB 0.024 31.713 31.700 -0.018 0.000 0.705 1330 Q N 0.402 120.191 119.800 -0.019 0.000 2.473 1330 Q HA -0.406 3.936 4.340 0.002 0.000 0.238 1330 Q C 1.667 177.669 176.000 0.003 0.000 1.088 1330 Q CA 2.529 58.325 55.803 -0.011 0.000 0.989 1330 Q CB -1.961 26.764 28.738 -0.023 0.000 0.972 1330 Q HN 0.178 nan 8.270 nan 0.000 0.543 1331 K N 0.469 120.857 120.400 -0.021 0.000 2.160 1331 K HA -0.145 4.176 4.320 0.002 0.000 0.206 1331 K C 2.242 178.987 176.600 0.240 0.000 1.047 1331 K CA 1.647 57.966 56.287 0.052 0.000 0.930 1331 K CB -0.429 32.026 32.500 -0.074 0.000 0.720 1331 K HN 0.446 nan 8.250 nan 0.000 0.450 1332 M N 1.771 121.502 119.600 0.219 0.000 2.128 1332 M HA -0.300 4.181 4.480 0.002 0.000 0.253 1332 M C 2.058 178.481 176.300 0.206 0.000 1.079 1332 M CA 1.896 57.413 55.300 0.363 0.000 1.082 1332 M CB -0.457 32.230 32.600 0.144 0.000 1.335 1332 M HN 0.134 nan 8.290 nan 0.000 0.401 1333 R N -0.226 120.331 120.500 0.095 0.000 2.062 1333 R HA -0.174 4.167 4.340 0.002 0.000 0.229 1333 R C 2.029 178.323 176.300 -0.010 0.000 1.128 1333 R CA 1.847 57.949 56.100 0.002 0.000 0.960 1333 R CB -0.375 29.896 30.300 -0.047 0.000 0.855 1333 R HN 0.379 nan 8.270 nan 0.000 0.432 1334 E N 0.099 120.321 120.200 0.035 0.000 2.113 1334 E HA -0.312 4.039 4.350 0.002 0.000 0.210 1334 E C 1.814 178.403 176.600 -0.018 0.000 1.040 1334 E CA 2.145 58.552 56.400 0.011 0.000 0.847 1334 E CB -0.354 29.404 29.700 0.098 0.000 0.755 1334 E HN 0.454 nan 8.360 nan 0.000 0.459 1335 H N 0.478 119.556 119.070 0.014 0.000 2.253 1335 H HA -0.126 4.432 4.556 0.002 0.000 0.299 1335 H C 2.205 177.450 175.328 -0.139 0.000 1.064 1335 H CA 2.143 58.182 56.048 -0.014 0.000 1.264 1335 H CB -0.684 29.049 29.762 -0.049 0.000 1.371 1335 H HN 0.215 nan 8.280 nan 0.000 0.493 1336 L N 0.345 121.830 121.223 0.437 0.000 1.976 1336 L HA -0.248 4.094 4.340 0.002 0.000 0.223 1336 L C 2.704 179.532 176.870 -0.071 0.000 1.081 1336 L CA 2.147 57.157 54.840 0.284 0.000 0.784 1336 L CB -1.059 41.079 42.059 0.132 0.000 0.896 1336 L HN 0.288 nan 8.230 nan 0.000 0.438 1337 E N 0.271 120.275 120.200 -0.326 0.000 2.253 1337 E HA -0.222 4.130 4.350 0.002 0.000 0.202 1337 E C 1.955 178.293 176.600 -0.436 0.000 1.014 1337 E CA 1.446 57.515 56.400 -0.552 0.000 0.823 1337 E CB -0.141 29.242 29.700 -0.529 0.000 0.736 1337 E HN 0.462 nan 8.360 nan 0.000 0.478 1338 L N -1.484 119.433 121.223 -0.509 0.000 2.185 1338 L HA 0.119 4.461 4.340 0.002 0.000 0.198 1338 L C 0.203 176.807 176.870 -0.443 0.000 1.079 1338 L CA 0.110 54.515 54.840 -0.726 0.000 0.780 1338 L CB 0.053 41.146 42.059 -1.611 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 4.667 4.527 0.002 0.000 0.355 1339 F C 0.543 176.591 175.800 0.412 0.000 1.132 1339 F CA -1.102 57.012 58.000 0.190 0.000 1.246 1339 F CB -0.170 38.774 39.000 -0.093 0.000 1.569 1339 F HN 0.200 nan 8.300 nan 0.000 0.561 1340 W N -0.648 120.769 121.300 0.195 0.000 2.866 1340 W HA 0.203 4.865 4.660 0.002 0.000 0.258 1340 W C 1.613 178.203 176.519 0.118 0.000 1.183 1340 W CA 0.666 58.117 57.345 0.177 0.000 1.451 1340 W CB -1.166 28.398 29.460 0.174 0.000 0.959 1340 W HN 0.361 nan 8.180 nan 0.000 0.622 1341 S N 1.987 117.491 115.700 -0.326 0.000 2.335 1341 S HA -0.037 4.435 4.470 0.002 0.000 0.217 1341 S C 1.103 175.596 174.600 -0.179 0.000 1.032 1341 S CA 0.734 58.697 58.200 -0.395 0.000 0.985 1341 S CB -0.397 62.487 63.200 -0.527 0.000 0.896 1341 S HN 0.181 nan 8.310 nan 0.000 0.445 1342 R N 1.143 121.571 120.500 -0.121 0.000 3.688 1342 R HA 0.459 4.800 4.340 0.002 0.000 0.194 1342 R C -0.833 175.343 176.300 -0.206 0.000 1.677 1342 R CA -0.061 55.879 56.100 -0.267 0.000 1.351 1342 R CB 0.057 30.031 30.300 -0.544 0.000 1.338 1342 R HN 0.214 nan 8.270 nan 0.000 0.731 1343 V N 0.584 120.442 119.914 -0.094 0.000 3.121 1343 V HA 0.071 4.192 4.120 0.002 0.000 0.263 1343 V C -1.375 174.719 176.094 0.000 0.000 1.795 1343 V CA -1.129 61.172 62.300 0.000 0.000 0.979 1343 V CB 2.260 34.186 31.823 0.172 0.000 1.335 1343 V HN 0.697 nan 8.190 nan 0.000 0.462 1344 N N 2.743 121.453 118.700 0.017 0.000 2.379 1344 N HA 0.501 5.242 4.740 0.002 0.000 0.260 1344 N C 0.313 175.853 175.510 0.051 0.000 1.254 1344 N CA 0.458 53.518 53.050 0.017 0.000 0.958 1344 N CB 1.550 40.049 38.487 0.021 0.000 1.208 1344 N HN 0.735 nan 8.380 nan 0.000 0.532 1345 I N -1.576 119.039 120.570 0.075 0.000 4.547 1345 I HA 0.164 4.335 4.170 0.002 0.000 0.303 1345 I C -1.228 175.005 176.117 0.193 0.000 1.188 1345 I CA -0.405 60.990 61.300 0.160 0.000 1.320 1345 I CB -0.342 37.798 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 1.712 64.897 63.100 0.142 0.000 0.879 1346 P CB -0.073 31.707 31.700 0.134 0.000 0.786 1347 K N 0.943 121.372 120.400 0.049 0.000 2.032 1347 K HA -0.089 4.232 4.320 0.002 0.000 0.209 1347 K C 1.991 178.592 176.600 0.001 0.000 1.048 1347 K CA 1.485 57.786 56.287 0.022 0.000 0.927 1347 K CB -1.228 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 2.371 122.287 119.914 0.004 0.000 2.380 1348 V HA -0.256 3.866 4.120 0.002 0.000 0.251 1348 V C 2.583 178.638 176.094 -0.066 0.000 1.063 1348 V CA 1.691 63.974 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 0.289 nan 8.190 nan 0.000 0.455 1349 L N -0.744 120.446 121.223 -0.056 0.000 2.353 1349 L HA -0.117 4.224 4.340 0.002 0.000 0.220 1349 L C 2.175 178.999 176.870 -0.077 0.000 1.133 1349 L CA 0.985 55.774 54.840 -0.085 0.000 0.798 1349 L CB -0.285 41.746 42.059 -0.047 0.000 0.922 1349 L HN 0.222 nan 8.230 nan 0.000 0.445 1350 R N -0.665 119.799 120.500 -0.060 0.000 2.466 1350 R HA 0.226 4.567 4.340 0.002 0.000 0.279 1350 R C 0.827 177.069 176.300 -0.097 0.000 0.976 1350 R CA 0.488 56.548 56.100 -0.065 0.000 1.081 1350 R CB 0.246 30.526 30.300 -0.034 0.000 1.215 1350 R HN 0.165 nan 8.270 nan 0.000 0.546 1351 A N -1.944 120.803 122.820 -0.122 0.000 2.474 1351 A HA 0.509 4.831 4.320 0.002 0.000 0.221 1351 A C 1.329 178.792 177.584 -0.202 0.000 1.298 1351 A CA 0.459 52.404 52.037 -0.155 0.000 1.008 1351 A CB 0.318 19.249 19.000 -0.115 0.000 1.217 1351 A HN 0.206 nan 8.150 nan 0.000 0.553 1352 A N 0.204 122.909 122.820 -0.193 0.000 1.944 1352 A HA 0.282 4.603 4.320 0.002 0.000 0.209 1352 A C 1.528 178.935 177.584 -0.295 0.000 1.328 1352 A CA 1.161 53.058 52.037 -0.234 0.000 0.693 1352 A CB -0.245 18.623 19.000 -0.220 0.000 0.994 1352 A HN 0.213 nan 8.150 nan 0.000 0.485 1353 E N -0.063 120.000 120.200 -0.229 0.000 2.478 1353 E HA -0.109 4.242 4.350 0.002 0.000 0.198 1353 E C 1.651 178.038 176.600 -0.355 0.000 1.046 1353 E CA 1.094 57.359 56.400 -0.225 0.000 0.870 1353 E CB -0.056 29.601 29.700 -0.072 0.000 0.818 1353 E HN 0.752 nan 8.360 nan 0.000 0.527 1354 Q N 0.044 119.649 119.800 -0.324 0.000 2.320 1354 Q HA 0.275 4.616 4.340 0.002 0.000 0.201 1354 Q C -0.641 175.103 176.000 -0.426 0.000 0.910 1354 Q CA 0.094 55.699 55.803 -0.329 0.000 0.946 1354 Q CB 0.703 29.310 28.738 -0.219 0.000 1.062 1354 Q HN 0.023 nan 8.270 nan 0.000 0.503 1355 A N 0.371 122.887 122.820 -0.507 0.000 2.480 1355 A HA 0.391 4.712 4.320 0.002 0.000 0.289 1355 A C -1.348 175.896 177.584 -0.566 0.000 1.044 1355 A CA -0.790 50.973 52.037 -0.456 0.000 0.761 1355 A CB 0.475 19.269 19.000 -0.344 0.000 1.289 1355 A HN 0.389 nan 8.150 nan 0.000 0.401 1356 H N 3.583 122.400 119.070 -0.422 0.000 2.989 1356 H HA 0.137 4.695 4.556 0.002 0.000 0.284 1356 H C 0.306 175.184 175.328 -0.750 0.000 1.440 1356 H CA 0.015 55.586 56.048 -0.796 0.000 1.209 1356 H CB -0.308 29.077 29.762 -0.628 0.000 1.453 1356 H HN 0.508 nan 8.280 nan 0.000 0.550 1357 L N 0.190 121.184 121.223 -0.382 0.000 2.930 1357 L HA -0.002 4.339 4.340 0.002 0.000 0.250 1357 L C 0.947 177.767 176.870 -0.083 0.000 1.320 1357 L CA -0.265 54.474 54.840 -0.168 0.000 1.163 1357 L CB -0.687 41.302 42.059 -0.117 0.000 1.542 1357 L HN 0.416 nan 8.230 nan 0.000 0.428 1358 W N 0.574 121.875 121.300 0.001 0.000 2.258 1358 W HA -0.383 4.278 4.660 0.002 0.000 0.302 1358 W C 2.496 179.055 176.519 0.066 0.000 1.241 1358 W CA 0.945 58.294 57.345 0.006 0.000 1.246 1358 W CB -0.547 28.909 29.460 -0.007 0.000 1.134 1358 W HN 0.444 nan 8.180 nan 0.000 0.531 1359 A N 0.714 123.733 122.820 0.332 0.000 1.869 1359 A HA -0.309 4.012 4.320 0.002 0.000 0.218 1359 A C 1.798 179.475 177.584 0.154 0.000 1.203 1359 A CA 2.495 54.656 52.037 0.207 0.000 0.638 1359 A CB -0.794 18.291 19.000 0.142 0.000 0.831 1359 A HN 0.328 nan 8.150 nan 0.000 0.450 1360 E N -0.647 119.609 120.200 0.093 0.000 2.102 1360 E HA 0.079 4.430 4.350 0.002 0.000 0.190 1360 E C 1.940 178.573 176.600 0.055 0.000 0.971 1360 E CA 0.548 56.981 56.400 0.056 0.000 0.821 1360 E CB -0.421 29.280 29.700 0.001 0.000 0.777 1360 E HN 0.556 nan 8.360 nan 0.000 0.460 1361 L N 0.514 121.733 121.223 -0.007 0.000 2.129 1361 L HA -0.201 4.141 4.340 0.002 0.000 0.212 1361 L C 1.699 178.513 176.870 -0.094 0.000 1.087 1361 L CA 1.054 55.817 54.840 -0.128 0.000 0.757 1361 L CB 0.014 41.964 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 3.840 4.120 0.002 0.000 0.244 1362 V C 2.169 178.386 176.094 0.205 0.000 1.037 1362 V CA 1.889 64.395 62.300 0.343 0.000 1.029 1362 V CB -0.747 31.277 31.823 0.336 0.000 0.663 1362 V HN 0.471 nan 8.190 nan 0.000 0.454 1363 F N 0.692 120.657 119.950 0.025 0.000 2.154 1363 F HA -0.245 4.283 4.527 0.002 0.000 0.301 1363 F C 2.022 177.792 175.800 -0.051 0.000 1.087 1363 F CA 1.671 59.651 58.000 -0.033 0.000 1.274 1363 F CB -0.226 38.732 39.000 -0.070 0.000 1.009 1363 F HN 0.041 nan 8.300 nan 0.000 0.485 1364 L N -1.149 120.119 121.223 0.075 0.000 1.956 1364 L HA -0.303 4.039 4.340 0.002 0.000 0.216 1364 L C 2.422 179.263 176.870 -0.049 0.000 1.073 1364 L CA 1.780 56.611 54.840 -0.015 0.000 0.762 1364 L CB -1.543 40.404 42.059 -0.187 0.000 0.889 1364 L HN 0.103 nan 8.230 nan 0.000 0.433 1365 Y N 0.544 120.832 120.300 -0.020 0.000 2.102 1365 Y HA -0.346 4.205 4.550 0.002 0.000 0.280 1365 Y C 2.422 178.200 175.900 -0.203 0.000 1.178 1365 Y CA 1.612 59.644 58.100 -0.114 0.000 1.146 1365 Y CB -1.020 37.359 38.460 -0.135 0.000 0.968 1365 Y HN 0.361 nan 8.280 nan 0.000 0.504 1366 D N 0.100 120.415 120.400 -0.142 0.000 2.182 1366 D HA -0.216 4.425 4.640 0.002 0.000 0.193 1366 D C 1.947 177.991 176.300 -0.426 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 -0.728 119.435 120.400 -0.394 0.000 2.152 1367 K HA -0.182 4.140 4.320 0.002 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 -0.869 31.624 32.500 -0.013 0.000 0.721 1367 K HN 0.432 nan 8.250 nan 0.000 0.447 1368 Y N 1.839 122.080 120.300 -0.098 0.000 2.403 1368 Y HA -0.209 4.342 4.550 0.002 0.000 0.291 1368 Y C 0.124 175.977 175.900 -0.079 0.000 1.143 1368 Y CA 1.426 59.502 58.100 -0.039 0.000 1.257 1368 Y CB 0.075 38.530 38.460 -0.007 0.000 0.984 1368 Y HN 0.256 nan 8.280 nan 0.000 0.550 1369 E N -1.039 119.156 120.200 -0.008 0.000 3.547 1369 E HA -0.201 4.150 4.350 0.002 0.000 0.309 1369 E C -0.090 176.464 176.600 -0.076 0.000 0.855 1369 E CA 0.730 57.025 56.400 -0.175 0.000 1.122 1369 E CB -1.406 28.340 29.700 0.076 0.000 1.569 1369 E HN 0.400 nan 8.360 nan 0.000 0.429 1370 E N -0.149 120.024 120.200 -0.046 0.000 2.320 1370 E HA 0.063 4.414 4.350 0.002 0.000 0.234 1370 E C 0.295 176.839 176.600 -0.094 0.000 1.290 1370 E CA -0.067 56.312 56.400 -0.035 0.000 1.545 1370 E CB -0.279 29.336 29.700 -0.142 0.000 1.379 1370 E HN 0.427 nan 8.360 nan 0.000 0.437 1371 Y N 1.699 121.974 120.300 -0.042 0.000 2.133 1371 Y HA -0.370 4.181 4.550 0.002 0.000 0.279 1371 Y C 2.227 178.011 175.900 -0.194 0.000 1.209 1371 Y CA 1.673 59.703 58.100 -0.115 0.000 1.152 1371 Y CB -0.545 37.841 38.460 -0.123 0.000 0.961 1371 Y HN 0.285 nan 8.280 nan 0.000 0.512 1372 D N -0.315 120.096 120.400 0.020 0.000 2.200 1372 D HA -0.266 4.375 4.640 0.002 0.000 0.192 1372 D C 1.324 177.519 176.300 -0.174 0.000 1.008 1372 D CA 2.219 56.159 54.000 -0.100 0.000 0.872 1372 D CB -0.838 39.917 40.800 -0.074 0.000 0.923 1372 D HN 0.394 nan 8.370 nan 0.000 0.447 1373 N N 0.368 118.912 118.700 -0.260 0.000 2.305 1373 N HA 0.124 4.865 4.740 0.002 0.000 0.179 1373 N C 1.982 177.192 175.510 -0.500 0.000 1.019 1373 N CA 1.241 54.009 53.050 -0.469 0.000 0.869 1373 N CB -0.365 37.643 38.487 -0.798 0.000 1.000 1373 N HN 0.362 nan 8.380 nan 0.000 0.431 1374 A N 2.211 124.816 122.820 -0.358 0.000 1.883 1374 A HA -0.108 4.213 4.320 0.002 0.000 0.217 1374 A C 2.146 179.695 177.584 -0.060 0.000 1.186 1374 A CA 0.991 52.991 52.037 -0.062 0.000 0.624 1374 A CB -0.547 18.454 19.000 0.002 0.000 0.822 1374 A HN 0.100 nan 8.150 nan 0.000 0.444 1375 I N 0.175 120.645 120.570 -0.167 0.000 2.208 1375 I HA -0.238 3.934 4.170 0.002 0.000 0.245 1375 I C 2.396 178.455 176.117 -0.097 0.000 1.097 1375 I CA 1.418 62.534 61.300 -0.306 0.000 1.363 1375 I CB -1.046 36.684 38.000 -0.451 0.000 1.051 1375 I HN 0.342 nan 8.210 nan 0.000 0.413 1376 I N 0.650 121.163 120.570 -0.095 0.000 2.335 1376 I HA -0.266 3.906 4.170 0.002 0.000 0.251 1376 I C 1.917 178.046 176.117 0.020 0.000 1.129 1376 I CA 1.321 62.590 61.300 -0.052 0.000 1.402 1376 I CB -0.713 37.244 38.000 -0.072 0.000 1.069 1376 I HN 0.190 nan 8.210 nan 0.000 0.424 1377 T N 0.589 115.229 114.554 0.143 0.000 3.139 1377 T HA -0.022 4.329 4.350 0.002 0.000 0.267 1377 T C 1.223 176.047 174.700 0.207 0.000 1.164 1377 T CA 0.924 63.276 62.100 0.420 0.000 1.075 1377 T CB -0.258 68.921 68.868 0.519 0.000 0.904 1377 T HN 0.360 nan 8.240 nan 0.000 0.540 1378 M N -0.360 119.249 119.600 0.014 0.000 2.596 1378 M HA 0.427 4.909 4.480 0.002 0.000 0.364 1378 M C 1.107 177.035 176.300 -0.619 0.000 1.158 1378 M CA -0.018 55.190 55.300 -0.153 0.000 0.940 1378 M CB 0.320 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 -1.009 118.281 119.600 -0.516 0.000 2.800 1379 M HA 0.168 4.650 4.480 0.002 0.000 0.257 1379 M C 0.822 176.806 176.300 -0.527 0.000 1.309 1379 M CA 1.091 56.088 55.300 -0.506 0.000 1.202 1379 M CB 0.261 32.692 32.600 -0.282 0.000 1.273 1379 M HN 0.282 nan 8.290 nan 0.000 0.528 1380 N N -0.252 117.913 118.700 -0.891 0.000 2.200 1380 N HA 0.104 4.846 4.740 0.002 0.000 0.224 1380 N C -0.628 174.093 175.510 -1.315 0.000 1.179 1380 N CA -0.023 52.453 53.050 -0.956 0.000 0.877 1380 N CB 0.704 38.677 38.487 -0.857 0.000 1.072 1380 N HN 0.296 nan 8.380 nan 0.000 0.519 1381 H N -1.475 117.193 119.070 -0.670 0.000 2.947 1381 H HA 0.203 4.761 4.556 0.002 0.000 0.222 1381 H C -2.343 172.738 175.328 -0.411 0.000 1.414 1381 H CA -1.285 54.260 56.048 -0.839 0.000 1.224 1381 H CB 0.548 29.208 29.762 -1.838 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 1.917 179.289 177.300 0.120 0.000 1.085 1382 P CA 2.655 65.750 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 -2.707 111.896 114.554 0.083 0.000 2.774 1383 T HA -0.289 4.063 4.350 0.002 0.000 0.264 1383 T C 1.442 176.249 174.700 0.177 0.000 1.037 1383 T CA 2.299 64.479 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 0.873 121.362 120.400 0.148 0.000 2.197 1384 D HA 0.386 5.028 4.640 0.002 0.000 0.212 1384 D C 2.109 178.543 176.300 0.223 0.000 0.963 1384 D CA 1.010 55.116 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 -1.157 121.807 122.820 0.240 0.000 2.140 1385 A HA 0.169 4.490 4.320 0.002 0.000 0.199 1385 A C 0.197 177.940 177.584 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 18.567 19.000 0.302 0.000 1.117 1385 A HN 0.317 nan 8.150 nan 0.000 0.480 1386 W N 2.011 123.379 121.300 0.113 0.000 2.345 1386 W HA 0.237 4.898 4.660 0.002 0.000 0.346 1386 W C 0.029 176.642 176.519 0.157 0.000 1.243 1386 W CA 1.212 58.645 57.345 0.146 0.000 1.327 1386 W CB 0.355 29.890 29.460 0.124 0.000 1.187 1386 W HN 0.082 nan 8.180 nan 0.000 0.588 1387 K N 5.516 125.441 120.400 -0.792 0.000 3.200 1387 K HA -0.011 4.310 4.320 0.002 0.000 0.179 1387 K C 0.374 176.383 176.600 -0.984 0.000 1.153 1387 K CA 0.134 55.970 56.287 -0.753 0.000 0.836 1387 K CB 0.907 33.250 32.500 -0.262 0.000 1.051 1387 K HN 0.761 nan 8.250 nan 0.000 0.594 1388 E N 0.547 119.593 120.200 -1.924 0.000 3.567 1388 E HA -0.367 3.984 4.350 0.002 0.000 0.471 1388 E C 1.197 177.694 176.600 -0.171 0.000 1.627 1388 E CA 2.676 58.603 56.400 -0.789 0.000 1.218 1388 E CB -1.220 28.275 29.700 -0.341 0.000 1.214 1388 E HN 0.584 nan 8.360 nan 0.000 0.385 1389 G N -0.634 108.106 108.800 -0.099 0.000 2.572 1389 G HA2 -0.207 3.754 3.960 0.002 0.000 0.216 1389 G HA3 -0.207 3.754 3.960 0.002 0.000 0.216 1389 G C 1.316 176.238 174.900 0.036 0.000 1.133 1389 G CA 0.890 46.002 45.100 0.021 0.000 0.791 1389 G HN 0.451 nan 8.290 nan 0.000 0.538 1390 Q N -0.429 119.342 119.800 -0.048 0.000 2.268 1390 Q HA -0.168 4.173 4.340 0.002 0.000 0.210 1390 Q C 1.815 177.877 176.000 0.102 0.000 0.988 1390 Q CA 1.353 57.156 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 0.490 nan 8.270 nan 0.000 0.430 1391 F N -0.124 119.846 119.950 0.034 0.000 2.664 1391 F HA 0.160 4.689 4.527 0.002 0.000 0.296 1391 F C 1.417 177.260 175.800 0.072 0.000 1.125 1391 F CA 0.661 58.749 58.000 0.146 0.000 1.444 1391 F CB 0.236 39.492 39.000 0.427 0.000 1.114 1391 F HN -0.062 nan 8.300 nan 0.000 0.576 1392 K N -0.226 120.333 120.400 0.265 0.000 2.217 1392 K HA -0.090 4.231 4.320 0.002 0.000 0.202 1392 K C 0.656 177.293 176.600 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 0.244 nan 8.250 nan 0.000 0.453 1393 D N 0.011 120.434 120.400 0.037 0.000 2.363 1393 D HA 0.101 4.743 4.640 0.002 0.000 0.214 1393 D C 1.350 177.646 176.300 -0.007 0.000 1.093 1393 D CA 0.342 54.350 54.000 0.015 0.000 0.837 1393 D CB 0.450 41.270 40.800 0.034 0.000 0.948 1393 D HN 0.212 nan 8.370 nan 0.000 0.507 1394 I N -0.293 120.250 120.570 -0.045 0.000 2.899 1394 I HA -0.047 4.124 4.170 0.002 0.000 0.257 1394 I C 2.180 178.113 176.117 -0.307 0.000 1.115 1394 I CA -0.104 61.189 61.300 -0.011 0.000 1.451 1394 I CB 0.072 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 1.520 121.925 120.570 -0.274 0.000 2.143 1395 I HA -0.380 3.792 4.170 0.002 0.000 0.245 1395 I C 2.420 178.493 176.117 -0.074 0.000 1.068 1395 I CA 2.014 63.157 61.300 -0.261 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 0.640 115.161 114.554 -0.055 0.000 2.897 1396 T HA -0.139 4.212 4.350 0.002 0.000 0.271 1396 T C 1.334 175.937 174.700 -0.163 0.000 1.084 1396 T CA 1.073 63.145 62.100 -0.047 0.000 1.123 1396 T CB -0.148 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 1.531 121.677 120.400 -0.422 0.000 2.577 1397 K HA 0.317 4.638 4.320 0.002 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 0.212 nan 8.250 nan 0.000 0.483 1398 V N 0.131 119.923 119.914 -0.203 0.000 2.732 1398 V HA 0.380 4.501 4.120 0.002 0.000 0.310 1398 V C 1.104 177.203 176.094 0.007 0.000 1.053 1398 V CA -0.481 61.773 62.300 -0.077 0.000 0.957 1398 V CB 1.731 33.486 31.823 -0.114 0.000 1.018 1398 V HN 0.195 nan 8.190 nan 0.000 0.452 1399 A N 2.196 125.027 122.820 0.020 0.000 2.169 1399 A HA 0.158 4.480 4.320 0.002 0.000 0.210 1399 A C 0.975 178.590 177.584 0.051 0.000 1.168 1399 A CA 0.315 52.372 52.037 0.034 0.000 0.813 1399 A CB -0.138 18.879 19.000 0.029 0.000 0.861 1399 A HN 0.728 nan 8.150 nan 0.000 0.481 1400 N N 0.830 119.559 118.700 0.048 0.000 2.437 1400 N HA 0.248 4.989 4.740 0.002 0.000 0.259 1400 N C 0.357 175.937 175.510 0.116 0.000 0.983 1400 N CA -0.062 53.020 53.050 0.053 0.000 0.937 1400 N CB 1.741 40.233 38.487 0.009 0.000 1.122 1400 N HN -0.069 nan 8.380 nan 0.000 0.499 1401 V N 2.661 122.659 119.914 0.141 0.000 3.461 1401 V HA -0.031 4.090 4.120 0.002 0.000 0.267 1401 V C 2.281 178.263 176.094 -0.187 0.000 1.186 1401 V CA 0.436 62.842 62.300 0.177 0.000 1.154 1401 V CB -0.433 31.392 31.823 0.003 0.000 0.802 1401 V HN 0.666 nan 8.190 nan 0.000 0.474 1402 E N 1.357 121.500 120.200 -0.097 0.000 2.031 1402 E HA -0.216 4.135 4.350 0.002 0.000 0.193 1402 E C 2.217 178.654 176.600 -0.273 0.000 0.994 1402 E CA 1.278 57.613 56.400 -0.108 0.000 0.800 1402 E CB -0.356 29.403 29.700 0.098 0.000 0.752 1402 E HN 0.422 nan 8.360 nan 0.000 0.447 1403 L N 0.997 122.090 121.223 -0.217 0.000 2.064 1403 L HA -0.267 4.074 4.340 0.002 0.000 0.216 1403 L C 2.101 178.808 176.870 -0.273 0.000 1.077 1403 L CA 1.993 56.687 54.840 -0.242 0.000 0.766 1403 L CB -1.394 40.471 42.059 -0.324 0.000 0.890 1403 L HN 0.182 nan 8.230 nan 0.000 0.435 1404 Y N -0.379 119.706 120.300 -0.358 0.000 2.014 1404 Y HA -0.348 4.203 4.550 0.002 0.000 0.270 1404 Y C 2.641 178.404 175.900 -0.230 0.000 1.145 1404 Y CA 2.476 60.394 58.100 -0.304 0.000 1.106 1404 Y CB -1.468 36.729 38.460 -0.439 0.000 0.968 1404 Y HN 0.180 nan 8.280 nan 0.000 0.484 1405 Y N -0.237 120.130 120.300 0.112 0.000 2.062 1405 Y HA -0.333 4.219 4.550 0.002 0.000 0.276 1405 Y C 2.602 178.414 175.900 -0.147 0.000 1.189 1405 Y CA 1.545 59.603 58.100 -0.071 0.000 1.130 1405 Y CB -1.270 37.135 38.460 -0.092 0.000 0.959 1405 Y HN 0.092 nan 8.280 nan 0.000 0.499 1406 R N 0.799 121.329 120.500 0.050 0.000 2.120 1406 R HA -0.128 4.213 4.340 0.002 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 -0.394 29.908 30.300 0.004 0.000 0.866 1406 R HN 0.387 nan 8.270 nan 0.000 0.446 1407 A N 1.718 124.564 122.820 0.045 0.000 1.858 1407 A HA -0.160 4.161 4.320 0.002 0.000 0.216 1407 A C 2.121 179.822 177.584 0.194 0.000 1.190 1407 A CA 1.594 53.721 52.037 0.150 0.000 0.617 1407 A CB -0.645 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 -0.235 120.396 120.570 0.102 0.000 2.231 1408 I HA -0.446 3.725 4.170 0.002 0.000 0.251 1408 I C 2.759 178.905 176.117 0.048 0.000 1.076 1408 I CA 2.211 63.542 61.300 0.051 0.000 1.347 1408 I CB -0.515 37.429 38.000 -0.092 0.000 1.038 1408 I HN 0.619 nan 8.210 nan 0.000 0.429 1409 Q N 0.935 120.733 119.800 -0.004 0.000 1.993 1409 Q HA -0.272 4.070 4.340 0.002 0.000 0.202 1409 Q C 2.330 178.346 176.000 0.025 0.000 0.984 1409 Q CA 2.117 57.913 55.803 -0.012 0.000 0.837 1409 Q CB -0.309 28.429 28.738 -0.000 0.000 0.902 1409 Q HN 0.501 nan 8.270 nan 0.000 0.423 1410 F N -0.337 119.516 119.950 -0.161 0.000 2.287 1410 F HA -0.241 4.288 4.527 0.002 0.000 0.301 1410 F C 0.658 176.108 175.800 -0.583 0.000 1.069 1410 F CA 1.340 59.094 58.000 -0.410 0.000 1.372 1410 F CB 0.105 38.714 39.000 -0.653 0.000 1.056 1410 F HN 0.186 nan 8.300 nan 0.000 0.523 1411 Y N -2.011 118.235 120.300 -0.090 0.000 2.624 1411 Y HA 0.089 4.640 4.550 0.002 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 -1.087 37.346 38.460 -0.045 0.000 1.349 1411 Y HN -0.060 nan 8.280 nan 0.000 0.502 1412 L N 0.721 122.021 121.223 0.127 0.000 2.017 1412 L HA -0.129 4.213 4.340 0.002 0.000 0.208 1412 L C 2.079 178.920 176.870 -0.049 0.000 1.073 1412 L CA 1.830 56.699 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 -0.348 119.792 120.200 -0.100 0.000 2.068 1413 E HA -0.276 4.076 4.350 0.002 0.000 0.207 1413 E C 1.988 178.210 176.600 -0.630 0.000 1.032 1413 E CA 2.454 58.661 56.400 -0.321 0.000 0.839 1413 E CB -0.413 29.143 29.700 -0.240 0.000 0.758 1413 E HN 0.639 nan 8.360 nan 0.000 0.457 1414 F N -0.922 118.941 119.950 -0.146 0.000 2.819 1414 F HA 0.191 4.720 4.527 0.002 0.000 0.325 1414 F C 0.785 176.475 175.800 -0.183 0.000 1.041 1414 F CA -0.597 57.300 58.000 -0.171 0.000 1.184 1414 F CB 0.400 39.259 39.000 -0.235 0.000 1.019 1414 F HN -0.259 nan 8.300 nan 0.000 0.590 1415 K N 3.518 123.884 120.400 -0.057 0.000 2.228 1415 K HA 0.224 4.546 4.320 0.002 0.000 0.284 1415 K C -2.575 174.037 176.600 0.019 0.000 1.088 1415 K CA -2.022 54.219 56.287 -0.076 0.000 0.941 1415 K CB 0.239 32.660 32.500 -0.131 0.000 1.158 1415 K HN -0.034 nan 8.250 nan 0.000 0.438 1416 P HA -0.076 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 -0.581 62.542 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 4.192 4.340 0.002 0.000 0.286 1417 L C 0.943 177.863 176.870 0.084 0.000 1.216 1417 L CA 1.377 56.252 54.840 0.060 0.000 0.930 1417 L CB -1.544 40.545 42.059 0.051 0.000 1.216 1417 L HN 0.344 nan 8.230 nan 0.000 0.486 1418 L N 2.960 124.235 121.223 0.087 0.000 4.447 1418 L HA -0.298 4.044 4.340 0.002 0.000 0.400 1418 L C 0.975 177.925 176.870 0.132 0.000 1.110 1418 L CA 0.514 55.420 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 0.107 4.449 4.340 0.002 0.000 0.202 1419 L C 1.751 178.656 176.870 0.059 0.000 1.074 1419 L CA 1.982 56.883 54.840 0.100 0.000 0.795 1419 L CB -0.304 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 0.118 118.855 118.700 0.062 0.000 2.120 1420 N HA -0.200 4.542 4.740 0.002 0.000 0.188 1420 N C 0.990 176.542 175.510 0.070 0.000 1.024 1420 N CA 1.538 54.622 53.050 0.058 0.000 0.852 1420 N CB -0.238 38.289 38.487 0.066 0.000 1.003 1420 N HN 0.463 nan 8.380 nan 0.000 0.424 1421 D N 1.071 121.511 120.400 0.066 0.000 2.263 1421 D HA -0.114 4.528 4.640 0.002 0.000 0.208 1421 D C 1.882 178.213 176.300 0.052 0.000 0.971 1421 D CA 0.298 54.336 54.000 0.063 0.000 0.867 1421 D CB -0.085 40.753 40.800 0.064 0.000 0.929 1421 D HN 0.182 nan 8.370 nan 0.000 0.492 1422 L N 0.384 121.628 121.223 0.035 0.000 2.141 1422 L HA -0.053 4.289 4.340 0.002 0.000 0.209 1422 L C 1.483 178.364 176.870 0.018 0.000 1.094 1422 L CA 1.386 56.220 54.840 -0.010 0.000 0.763 1422 L CB -0.536 41.471 42.059 -0.086 0.000 0.908 1422 L HN 0.142 nan 8.230 nan 0.000 0.437 1423 L N -0.856 120.392 121.223 0.041 0.000 2.376 1423 L HA -0.168 4.173 4.340 0.002 0.000 0.219 1423 L C 2.470 179.410 176.870 0.115 0.000 1.133 1423 L CA 0.276 55.158 54.840 0.071 0.000 0.816 1423 L CB -0.456 41.647 42.059 0.073 0.000 0.933 1423 L HN 0.240 nan 8.230 nan 0.000 0.449 1424 M N 0.202 119.858 119.600 0.092 0.000 2.126 1424 M HA -0.177 4.304 4.480 0.002 0.000 0.259 1424 M C 2.452 178.786 176.300 0.056 0.000 1.073 1424 M CA 2.273 57.620 55.300 0.079 0.000 1.103 1424 M CB -0.941 31.696 32.600 0.061 0.000 1.284 1424 M HN 0.174 nan 8.290 nan 0.000 0.420 1425 V N -0.975 118.965 119.914 0.043 0.000 2.233 1425 V HA -0.336 3.785 4.120 0.002 0.000 0.252 1425 V C 2.204 178.306 176.094 0.014 0.000 1.063 1425 V CA 2.428 64.746 62.300 0.030 0.000 1.032 1425 V CB -1.755 30.087 31.823 0.031 0.000 0.645 1425 V HN 0.580 nan 8.190 nan 0.000 0.446 1426 L N 0.522 121.748 121.223 0.005 0.000 2.051 1426 L HA -0.222 4.120 4.340 0.002 0.000 0.214 1426 L C 2.595 179.426 176.870 -0.066 0.000 1.076 1426 L CA 1.801 56.608 54.840 -0.055 0.000 0.758 1426 L CB -1.369 40.645 42.059 -0.075 0.000 0.890 1426 L HN 0.519 nan 8.230 nan 0.000 0.433 1427 S N -0.647 115.050 115.700 -0.004 0.000 1.978 1427 S HA -0.259 4.212 4.470 0.002 0.000 0.533 1427 S C -1.427 173.180 174.600 0.012 0.000 0.920 1427 S CA 1.696 59.918 58.200 0.037 0.000 3.354 1427 S CB -2.533 60.706 63.200 0.066 0.000 2.336 1427 S HN 0.307 nan 8.310 nan 0.000 0.579 1428 P HA 0.244 nan 4.420 nan 0.000 0.263 1428 P C 0.320 177.604 177.300 -0.028 0.000 1.195 1428 P CA 0.770 63.891 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 0.950 121.441 120.500 -0.016 0.000 3.281 1429 R HA -0.168 4.173 4.340 0.002 0.000 0.271 1429 R C -1.305 174.907 176.300 -0.147 0.000 1.099 1429 R CA 0.062 56.125 56.100 -0.061 0.000 0.732 1429 R CB -1.708 28.510 30.300 -0.136 0.000 1.269 1429 R HN 0.352 nan 8.270 nan 0.000 0.412 1430 L N 0.071 121.199 121.223 -0.159 0.000 2.313 1430 L HA 0.564 4.905 4.340 0.002 0.000 0.268 1430 L C 0.343 177.120 176.870 -0.154 0.000 1.010 1430 L CA -0.037 54.688 54.840 -0.192 0.000 0.814 1430 L CB 1.813 43.667 42.059 -0.342 0.000 1.304 1430 L HN 0.146 nan 8.230 nan 0.000 0.441 1431 D N -0.415 119.922 120.400 -0.104 0.000 2.398 1431 D HA 0.122 4.764 4.640 0.002 0.000 0.210 1431 D C 0.790 177.120 176.300 0.050 0.000 1.094 1431 D CA 0.450 54.447 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 -0.409 118.640 119.070 -0.034 0.000 5.363 1432 H HA -0.259 4.299 4.556 0.002 0.000 0.065 1432 H C 1.549 176.898 175.328 0.034 0.000 0.517 1432 H CA 2.265 58.316 56.048 0.004 0.000 1.053 1432 H CB -1.440 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 1.105 115.737 114.554 0.130 0.000 2.778 1433 T HA -0.173 4.178 4.350 0.002 0.000 0.269 1433 T C 1.700 176.430 174.700 0.051 0.000 1.050 1433 T CA 1.661 63.810 62.100 0.081 0.000 1.137 1433 T CB -0.203 68.697 68.868 0.054 0.000 0.860 1433 T HN 0.348 nan 8.240 nan 0.000 0.468 1434 R N 0.176 120.677 120.500 0.003 0.000 2.893 1434 R HA 0.496 4.837 4.340 0.002 0.000 0.317 1434 R C 0.810 177.082 176.300 -0.047 0.000 1.239 1434 R CA 0.038 56.094 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 -0.950 121.937 122.820 0.112 0.000 1.808 1435 A HA 0.106 4.428 4.320 0.002 0.000 0.190 1435 A C 1.408 179.330 177.584 0.564 0.000 1.822 1435 A CA -0.005 52.201 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 2.581 122.793 119.914 0.496 0.000 2.439 1436 V HA -0.328 3.794 4.120 0.002 0.000 0.253 1436 V C 2.160 178.483 176.094 0.381 0.000 1.074 1436 V CA 2.428 65.004 62.300 0.460 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 -0.190 4.551 4.740 0.002 0.000 0.186 1437 N C 1.675 177.242 175.510 0.094 0.000 1.019 1437 N CA 1.607 54.734 53.050 0.129 0.000 0.856 1437 N CB -0.513 38.020 38.487 0.077 0.000 0.993 1437 N HN 0.694 nan 8.380 nan 0.000 0.426 1438 Y N -0.083 120.179 120.300 -0.063 0.000 2.516 1438 Y HA 0.026 4.577 4.550 0.002 0.000 0.291 1438 Y C 1.329 177.045 175.900 -0.306 0.000 1.131 1438 Y CA 0.865 58.822 58.100 -0.238 0.000 1.281 1438 Y CB -0.101 38.127 38.460 -0.387 0.000 1.013 1438 Y HN -0.096 nan 8.280 nan 0.000 0.554 1439 F N -1.131 118.832 119.950 0.022 0.000 2.147 1439 F HA -0.101 4.428 4.527 0.002 0.000 0.291 1439 F C 2.557 178.302 175.800 -0.092 0.000 1.093 1439 F CA 1.336 59.312 58.000 -0.040 0.000 1.263 1439 F CB -0.994 38.009 39.000 0.004 0.000 1.036 1439 F HN -0.214 nan 8.300 nan 0.000 0.481 1440 S N 0.580 116.369 115.700 0.149 0.000 2.365 1440 S HA -0.251 4.220 4.470 0.002 0.000 0.225 1440 S C 1.600 176.186 174.600 -0.024 0.000 1.039 1440 S CA 1.833 60.063 58.200 0.050 0.000 1.033 1440 S CB -0.780 62.448 63.200 0.047 0.000 0.887 1440 S HN 0.441 nan 8.310 nan 0.000 0.447 1441 K N 1.087 121.444 120.400 -0.072 0.000 2.706 1441 K HA 0.205 4.526 4.320 0.002 0.000 0.217 1441 K C 0.498 176.981 176.600 -0.195 0.000 1.019 1441 K CA 0.244 56.460 56.287 -0.119 0.000 1.181 1441 K CB 0.050 32.475 32.500 -0.124 0.000 0.940 1441 K HN 0.183 nan 8.250 nan 0.000 0.491 1442 V N 0.519 120.324 119.914 -0.181 0.000 3.562 1442 V HA 0.022 4.144 4.120 0.002 0.000 0.270 1442 V C 0.875 176.893 176.094 -0.126 0.000 1.418 1442 V CA 0.050 62.214 62.300 -0.227 0.000 1.033 1442 V CB -0.096 31.543 31.823 -0.307 0.000 0.820 1442 V HN 0.646 nan 8.190 nan 0.000 0.441 1443 K N 0.518 120.875 120.400 -0.071 0.000 3.341 1443 K HA -0.314 4.007 4.320 0.002 0.000 0.305 1443 K C 0.696 177.278 176.600 -0.029 0.000 1.270 1443 K CA 1.645 57.905 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 4.579 4.340 0.002 0.000 0.227 1444 Q C 1.416 177.460 176.000 0.073 0.000 0.798 1444 Q CA 0.006 55.819 55.803 0.018 0.000 0.987 1444 Q CB 0.478 29.209 28.738 -0.012 0.000 1.161 1444 Q HN 0.444 nan 8.270 nan 0.000 0.480 1445 L N 2.318 123.595 121.223 0.090 0.000 2.127 1445 L HA -0.068 4.274 4.340 0.002 0.000 0.211 1445 L C -0.819 176.042 176.870 -0.015 0.000 1.089 1445 L CA 1.149 56.051 54.840 0.104 0.000 0.757 1445 L CB -0.454 41.655 42.059 0.083 0.000 0.899 1445 L HN 0.133 nan 8.230 nan 0.000 0.434 1446 P HA -0.245 nan 4.420 nan 0.000 0.221 1446 P C 1.922 179.204 177.300 -0.030 0.000 1.145 1446 P CA 1.325 64.397 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 0.770 121.991 121.223 -0.004 0.000 2.042 1447 L HA -0.121 4.220 4.340 0.002 0.000 0.210 1447 L C 2.349 179.218 176.870 -0.002 0.000 1.076 1447 L CA 1.919 56.765 54.840 0.011 0.000 0.749 1447 L CB -0.626 41.457 42.059 0.040 0.000 0.893 1447 L HN -0.066 nan 8.230 nan 0.000 0.432 1448 V N -2.355 117.525 119.914 -0.056 0.000 3.383 1448 V HA -0.205 3.916 4.120 0.002 0.000 0.272 1448 V C 2.252 178.384 176.094 0.063 0.000 1.181 1448 V CA 1.407 63.692 62.300 -0.026 0.000 1.171 1448 V CB -0.930 30.721 31.823 -0.287 0.000 0.800 1448 V HN 0.464 nan 8.190 nan 0.000 0.515 1449 K N 2.118 122.511 120.400 -0.012 0.000 2.015 1449 K HA -0.171 4.150 4.320 0.002 0.000 0.220 1449 K C 0.039 176.630 176.600 -0.014 0.000 1.055 1449 K CA 2.513 58.773 56.287 -0.045 0.000 0.951 1449 K CB -1.316 31.157 32.500 -0.046 0.000 0.725 1449 K HN 0.578 nan 8.250 nan 0.000 0.449 1450 P HA -0.160 nan 4.420 nan 0.000 0.222 1450 P C 1.283 178.600 177.300 0.029 0.000 1.153 1450 P CA 1.050 64.165 63.100 0.024 0.000 0.798 1450 P CB -0.273 31.450 31.700 0.038 0.000 0.796 1451 Y N 1.487 121.751 120.300 -0.061 0.000 2.403 1451 Y HA -0.084 4.467 4.550 0.002 0.000 0.291 1451 Y C 1.762 177.620 175.900 -0.071 0.000 1.143 1451 Y CA 1.168 59.228 58.100 -0.067 0.000 1.257 1451 Y CB -1.075 37.314 38.460 -0.119 0.000 0.984 1451 Y HN -0.188 nan 8.280 nan 0.000 0.550 1452 L N -0.460 120.587 121.223 -0.294 0.000 2.607 1452 L HA 0.110 4.452 4.340 0.002 0.000 0.228 1452 L C 2.221 178.965 176.870 -0.210 0.000 1.123 1452 L CA -0.192 54.429 54.840 -0.364 0.000 0.890 1452 L CB -0.269 41.656 42.059 -0.224 0.000 1.103 1452 L HN -0.012 nan 8.230 nan 0.000 0.468 1453 R N 0.392 120.817 120.500 -0.126 0.000 2.070 1453 R HA -0.013 4.328 4.340 0.002 0.000 0.227 1453 R C 2.269 178.528 176.300 -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 0.184 nan 8.270 nan 0.000 0.431 1454 S N 0.632 116.295 115.700 -0.062 0.000 2.442 1454 S HA -0.018 4.454 4.470 0.002 0.000 0.236 1454 S C 1.279 175.823 174.600 -0.093 0.000 1.007 1454 S CA 0.451 58.620 58.200 -0.051 0.000 0.965 1454 S CB -0.016 63.171 63.200 -0.022 0.000 0.773 1454 S HN -0.013 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 0.341 4.463 4.120 0.002 0.000 0.287 1455 V C 0.692 176.608 176.094 -0.295 0.000 1.111 1455 V CA -0.868 61.288 62.300 -0.241 0.000 0.950 1455 V CB 0.500 32.075 31.823 -0.412 0.000 1.243 1455 V HN 0.366 nan 8.190 nan 0.000 0.443 1456 Q N -0.115 119.458 119.800 -0.378 0.000 2.478 1456 Q HA -0.229 4.112 4.340 0.002 0.000 0.286 1456 Q C 0.250 175.761 176.000 -0.815 0.000 1.299 1456 Q CA 1.485 56.983 55.803 -0.510 0.000 0.826 1456 Q CB -1.680 26.732 28.738 -0.543 0.000 1.199 1456 Q HN 0.882 nan 8.270 nan 0.000 0.451 1457 N N -2.033 116.379 118.700 -0.479 0.000 2.297 1457 N HA 0.059 4.801 4.740 0.002 0.000 0.208 1457 N C 0.738 176.115 175.510 -0.221 0.000 1.176 1457 N CA 0.071 52.927 53.050 -0.323 0.000 0.882 1457 N CB 0.207 38.638 38.487 -0.093 0.000 1.134 1457 N HN 0.278 nan 8.380 nan 0.000 0.489 1458 H N 1.276 120.158 119.070 -0.313 0.000 2.561 1458 H HA 0.012 4.569 4.556 0.002 0.000 0.278 1458 H C 0.737 175.957 175.328 -0.180 0.000 1.014 1458 H CA 0.908 56.808 56.048 -0.246 0.000 1.211 1458 H CB -0.012 29.513 29.762 -0.394 0.000 1.365 1458 H HN 0.199 nan 8.280 nan 0.000 0.594 1459 N N -0.315 118.303 118.700 -0.136 0.000 2.809 1459 N HA -0.289 4.452 4.740 0.002 0.000 0.244 1459 N C -0.647 174.859 175.510 -0.007 0.000 1.018 1459 N CA 0.820 53.847 53.050 -0.039 0.000 0.917 1459 N CB -1.318 37.211 38.487 0.070 0.000 1.130 1459 N HN 0.337 nan 8.380 nan 0.000 0.591 1460 N N 0.520 119.206 118.700 -0.023 0.000 2.329 1460 N HA -0.026 4.715 4.740 0.002 0.000 0.237 1460 N C 1.014 176.528 175.510 0.006 0.000 1.258 1460 N CA 0.852 53.902 53.050 -0.000 0.000 0.866 1460 N CB 0.442 38.895 38.487 -0.057 0.000 1.102 1460 N HN 0.427 nan 8.380 nan 0.000 0.440 1461 K N 0.637 121.061 120.400 0.039 0.000 2.021 1461 K HA -0.097 4.225 4.320 0.002 0.000 0.205 1461 K C 2.083 178.713 176.600 0.050 0.000 1.047 1461 K CA 1.391 57.716 56.287 0.062 0.000 0.943 1461 K CB -0.246 32.295 32.500 0.067 0.000 0.725 1461 K HN 0.632 nan 8.250 nan 0.000 0.439 1462 S N 1.148 116.874 115.700 0.043 0.000 2.407 1462 S HA -0.167 4.305 4.470 0.002 0.000 0.235 1462 S C 2.128 176.739 174.600 0.018 0.000 1.036 1462 S CA 1.465 59.692 58.200 0.044 0.000 1.013 1462 S CB -0.886 62.354 63.200 0.068 0.000 0.820 1462 S HN 0.035 nan 8.310 nan 0.000 0.476 1463 V N 3.636 123.542 119.914 -0.014 0.000 2.229 1463 V HA -0.209 3.912 4.120 0.002 0.000 0.243 1463 V C 2.659 178.727 176.094 -0.044 0.000 1.042 1463 V CA 2.060 64.323 62.300 -0.062 0.000 1.000 1463 V CB -1.072 30.674 31.823 -0.129 0.000 0.637 1463 V HN 0.537 nan 8.190 nan 0.000 0.446 1464 N N 0.198 118.885 118.700 -0.022 0.000 2.007 1464 N HA -0.228 4.514 4.740 0.002 0.000 0.197 1464 N C 1.907 177.437 175.510 0.032 0.000 1.050 1464 N CA 1.601 54.652 53.050 0.001 0.000 0.856 1464 N CB -0.706 37.774 38.487 -0.011 0.000 1.050 1464 N HN 0.419 nan 8.380 nan 0.000 0.423 1465 E N 1.156 121.398 120.200 0.070 0.000 2.136 1465 E HA -0.152 4.200 4.350 0.002 0.000 0.202 1465 E C 1.704 178.335 176.600 0.051 0.000 1.019 1465 E CA 1.268 57.718 56.400 0.084 0.000 0.819 1465 E CB -0.069 29.675 29.700 0.075 0.000 0.739 1465 E HN 0.283 nan 8.360 nan 0.000 0.458 1466 S N -0.086 115.626 115.700 0.020 0.000 2.421 1466 S HA -0.016 4.455 4.470 0.002 0.000 0.224 1466 S C 1.829 176.394 174.600 -0.059 0.000 1.035 1466 S CA 0.302 58.497 58.200 -0.007 0.000 0.953 1466 S CB -0.114 63.082 63.200 -0.008 0.000 0.810 1466 S HN 0.163 nan 8.310 nan 0.000 0.497 1467 L N 3.323 124.501 121.223 -0.075 0.000 2.021 1467 L HA -0.208 4.134 4.340 0.002 0.000 0.215 1467 L C 1.764 178.549 176.870 -0.141 0.000 1.074 1467 L CA 1.711 56.450 54.840 -0.168 0.000 0.760 1467 L CB -0.714 41.322 42.059 -0.038 0.000 0.889 1467 L HN 0.239 nan 8.230 nan 0.000 0.433 1468 N N -0.477 118.253 118.700 0.051 0.000 2.080 1468 N HA -0.237 4.505 4.740 0.002 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 0.133 0.000 0.846 1468 N CB -0.910 37.610 38.487 0.054 0.000 1.015 1468 N HN 0.564 nan 8.380 nan 0.000 0.423 1469 N N 0.987 119.707 118.700 0.033 0.000 2.184 1469 N HA -0.154 4.588 4.740 0.002 0.000 0.190 1469 N C 1.639 177.162 175.510 0.022 0.000 1.011 1469 N CA 0.654 53.729 53.050 0.041 0.000 0.867 1469 N CB 0.033 38.534 38.487 0.024 0.000 0.993 1469 N HN 0.163 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 4.260 4.340 0.002 0.000 0.206 1470 L C 1.824 178.641 176.870 -0.088 0.000 1.074 1470 L CA 0.946 55.677 54.840 -0.182 0.000 0.746 1470 L CB -0.858 40.938 42.059 -0.438 0.000 0.896 1470 L HN 0.100 nan 8.230 nan 0.000 0.435 1471 F N 0.324 120.312 119.950 0.064 0.000 2.346 1471 F HA -0.187 4.342 4.527 0.002 0.000 0.301 1471 F C 2.235 178.222 175.800 0.310 0.000 1.070 1471 F CA 1.004 59.071 58.000 0.112 0.000 1.407 1471 F CB -0.849 38.161 39.000 0.017 0.000 1.072 1471 F HN 0.036 nan 8.300 nan 0.000 0.543 1472 I N -1.042 119.790 120.570 0.436 0.000 2.270 1472 I HA -0.196 3.975 4.170 0.002 0.000 0.239 1472 I C 2.201 178.622 176.117 0.506 0.000 1.080 1472 I CA 1.422 63.125 61.300 0.672 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 0.634 115.349 114.554 0.268 0.000 2.995 1473 T HA -0.148 4.204 4.350 0.002 0.000 0.269 1473 T C 1.575 176.333 174.700 0.097 0.000 1.091 1473 T CA 1.356 63.543 62.100 0.144 0.000 1.128 1473 T CB -0.329 68.589 68.868 0.085 0.000 0.891 1473 T HN 0.549 nan 8.240 nan 0.000 0.492 1474 E N 1.556 121.834 120.200 0.130 0.000 2.371 1474 E HA -0.056 4.295 4.350 0.002 0.000 0.194 1474 E C 0.491 177.158 176.600 0.113 0.000 1.012 1474 E CA 0.724 57.181 56.400 0.095 0.000 0.860 1474 E CB -0.263 29.486 29.700 0.082 0.000 0.811 1474 E HN 0.503 nan 8.360 nan 0.000 0.502 1475 E N 0.363 120.666 120.200 0.172 0.000 3.687 1475 E HA -0.166 4.185 4.350 0.002 0.000 0.319 1475 E C -0.648 176.109 176.600 0.262 0.000 0.821 1475 E CA 0.719 57.163 56.400 0.073 0.000 1.195 1475 E CB -1.594 28.098 29.700 -0.013 0.000 1.605 1475 E HN 0.433 nan 8.360 nan 0.000 0.419 1476 D N -0.030 120.608 120.400 0.396 0.000 2.312 1476 D HA 0.113 4.755 4.640 0.002 0.000 0.252 1476 D C 0.487 176.979 176.300 0.320 0.000 1.150 1476 D CA 0.139 54.275 54.000 0.225 0.000 0.870 1476 D CB 0.512 41.527 40.800 0.358 0.000 1.153 1476 D HN 0.251 nan 8.370 nan 0.000 0.457 1477 Y N 1.761 122.201 120.300 0.233 0.000 2.638 1477 Y HA 0.214 4.765 4.550 0.002 0.000 0.275 1477 Y C 2.264 178.129 175.900 -0.060 0.000 1.122 1477 Y CA -0.224 57.963 58.100 0.145 0.000 1.266 1477 Y CB -0.403 38.226 38.460 0.282 0.000 1.317 1477 Y HN 0.266 nan 8.280 nan 0.000 0.501 1478 Q N 1.525 121.155 119.800 -0.284 0.000 1.975 1478 Q HA -0.179 4.162 4.340 0.002 0.000 0.205 1478 Q C 2.510 178.367 176.000 -0.238 0.000 0.990 1478 Q CA 2.127 57.846 55.803 -0.141 0.000 0.845 1478 Q CB -0.370 28.239 28.738 -0.214 0.000 0.913 1478 Q HN 0.633 nan 8.270 nan 0.000 0.420 1479 A N 0.890 123.484 122.820 -0.377 0.000 1.835 1479 A HA -0.209 4.113 4.320 0.002 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 -1.069 17.565 19.000 -0.609 0.000 0.838 1479 A HN 0.380 nan 8.150 nan 0.000 0.444 1480 L N -0.155 120.339 121.223 -1.215 0.000 2.054 1480 L HA -0.270 4.071 4.340 0.002 0.000 0.220 1480 L C 2.427 179.028 176.870 -0.449 0.000 1.081 1480 L CA 2.818 57.109 54.840 -0.916 0.000 0.780 1480 L CB -0.766 41.021 42.059 -0.454 0.000 0.893 1480 L HN 0.487 nan 8.230 nan 0.000 0.438 1481 R N -1.277 119.039 120.500 -0.306 0.000 2.070 1481 R HA -0.119 4.222 4.340 0.002 0.000 0.233 1481 R C 2.132 178.315 176.300 -0.195 0.000 1.137 1481 R CA 2.217 58.200 56.100 -0.195 0.000 0.945 1481 R CB -0.748 29.481 30.300 -0.119 0.000 0.845 1481 R HN 0.464 nan 8.270 nan 0.000 0.430 1482 T N -0.725 113.704 114.554 -0.207 0.000 2.951 1482 T HA -0.072 4.280 4.350 0.002 0.000 0.268 1482 T C 1.653 176.267 174.700 -0.144 0.000 1.073 1482 T CA 1.239 63.242 62.100 -0.162 0.000 1.134 1482 T CB -0.203 68.583 68.868 -0.137 0.000 0.884 1482 T HN 0.258 nan 8.240 nan 0.000 0.479 1483 S N 1.303 116.866 115.700 -0.227 0.000 2.537 1483 S HA 0.005 4.476 4.470 0.002 0.000 0.240 1483 S C 1.503 176.080 174.600 -0.039 0.000 0.981 1483 S CA 0.656 58.779 58.200 -0.129 0.000 0.948 1483 S CB -0.507 62.503 63.200 -0.317 0.000 0.759 1483 S HN 0.733 nan 8.310 nan 0.000 0.531 1484 I N -3.901 116.593 120.570 -0.128 0.000 4.390 1484 I HA 0.434 4.605 4.170 0.002 0.000 0.334 1484 I C -0.005 176.027 176.117 -0.143 0.000 1.379 1484 I CA -0.223 60.980 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 4.815 4.640 0.002 0.000 0.234 1485 D C 1.375 177.555 176.300 -0.201 0.000 1.049 1485 D CA 1.194 55.106 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 -0.683 121.953 122.820 -0.307 0.000 1.713 1486 A HA 0.083 4.404 4.320 0.002 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 18.277 19.000 -0.795 0.000 1.054 1486 A HN 0.069 nan 8.150 nan 0.000 0.713 1487 Y N 3.089 123.353 120.300 -0.059 0.000 2.697 1487 Y HA 0.284 4.835 4.550 0.002 0.000 0.349 1487 Y C 0.441 176.308 175.900 -0.054 0.000 1.120 1487 Y CA 0.106 58.176 58.100 -0.049 0.000 1.468 1487 Y CB -0.348 38.076 38.460 -0.061 0.000 1.182 1487 Y HN 0.588 nan 8.280 nan 0.000 0.525 1488 D N -0.153 120.317 120.400 0.117 0.000 2.460 1488 D HA -0.027 4.615 4.640 0.002 0.000 0.229 1488 D C -0.064 176.462 176.300 0.376 0.000 1.170 1488 D CA -0.341 53.776 54.000 0.196 0.000 0.827 1488 D CB -0.340 40.568 40.800 0.180 0.000 0.973 1488 D HN 0.533 nan 8.370 nan 0.000 0.496 1489 N N 1.004 119.884 118.700 0.300 0.000 2.645 1489 N HA 0.318 5.060 4.740 0.002 0.000 0.233 1489 N C -1.237 174.516 175.510 0.404 0.000 1.058 1489 N CA -0.633 52.582 53.050 0.275 0.000 0.942 1489 N CB 0.185 38.765 38.487 0.156 0.000 1.210 1489 N HN 0.204 nan 8.380 nan 0.000 0.512 1490 F N 0.482 120.441 119.950 0.015 0.000 3.194 1490 F HA 0.282 4.810 4.527 0.002 0.000 0.327 1490 F C -1.713 174.086 175.800 -0.002 0.000 1.141 1490 F CA -1.574 56.430 58.000 0.006 0.000 0.862 1490 F CB 0.380 39.382 39.000 0.004 0.000 1.447 1490 F HN -0.017 nan 8.300 nan 0.000 0.479 1491 D N 1.603 121.858 120.400 -0.242 0.000 2.517 1491 D HA 0.203 4.844 4.640 0.002 0.000 0.220 1491 D C -0.699 175.243 176.300 -0.598 0.000 1.158 1491 D CA -0.100 53.694 54.000 -0.343 0.000 0.992 1491 D CB -0.638 40.099 40.800 -0.105 0.000 1.058 1491 D HN 0.490 nan 8.370 nan 0.000 0.516 1492 N N 5.441 123.557 118.700 -0.973 0.000 2.670 1492 N HA 0.046 4.787 4.740 0.002 0.000 0.296 1492 N C 0.234 175.590 175.510 -0.257 0.000 1.216 1492 N CA 0.204 52.799 53.050 -0.759 0.000 1.123 1492 N CB 0.226 38.329 38.487 -0.640 0.000 1.459 1492 N HN 0.472 nan 8.380 nan 0.000 0.509 1493 I N -1.624 118.863 120.570 -0.140 0.000 1.266 1493 I HA -0.089 4.082 4.170 0.002 0.000 0.343 1493 I C 1.664 177.842 176.117 0.101 0.000 0.395 1493 I CA -0.109 61.241 61.300 0.083 0.000 3.296 1493 I CB -1.129 36.897 38.000 0.044 0.000 1.588 1493 I HN 0.074 nan 8.210 nan 0.000 0.544 1494 S N 1.976 117.719 115.700 0.072 0.000 2.409 1494 S HA -0.241 4.231 4.470 0.002 0.000 0.237 1494 S C 1.820 176.435 174.600 0.026 0.000 1.060 1494 S CA 2.328 60.570 58.200 0.070 0.000 1.052 1494 S CB -0.609 62.615 63.200 0.041 0.000 0.871 1494 S HN 0.452 nan 8.310 nan 0.000 0.465 1495 L N 1.833 123.046 121.223 -0.016 0.000 2.021 1495 L HA -0.186 4.155 4.340 0.002 0.000 0.215 1495 L C 2.250 179.030 176.870 -0.150 0.000 1.074 1495 L CA 2.290 57.109 54.840 -0.034 0.000 0.760 1495 L CB -1.019 41.069 42.059 0.048 0.000 0.889 1495 L HN 0.294 nan 8.230 nan 0.000 0.433 1496 A N -1.853 120.737 122.820 -0.384 0.000 2.206 1496 A HA -0.102 4.219 4.320 0.002 0.000 0.211 1496 A C 2.044 179.482 177.584 -0.242 0.000 1.158 1496 A CA 0.967 52.574 52.037 -0.717 0.000 0.761 1496 A CB -0.435 17.258 19.000 -2.178 0.000 0.801 1496 A HN 0.710 nan 8.150 nan 0.000 0.473 1497 Q N -0.701 119.131 119.800 0.052 0.000 2.123 1497 Q HA -0.109 4.233 4.340 0.002 0.000 0.199 1497 Q C 2.241 178.297 176.000 0.094 0.000 0.966 1497 Q CA 1.412 57.334 55.803 0.198 0.000 0.845 1497 Q CB -0.135 28.708 28.738 0.174 0.000 0.907 1497 Q HN 0.727 nan 8.270 nan 0.000 0.439 1498 R N 0.822 121.346 120.500 0.040 0.000 2.193 1498 R HA -0.029 4.313 4.340 0.002 0.000 0.213 1498 R C 1.912 178.185 176.300 -0.046 0.000 1.055 1498 R CA 0.465 56.594 56.100 0.049 0.000 0.995 1498 R CB 0.057 30.398 30.300 0.069 0.000 0.893 1498 R HN 0.201 nan 8.270 nan 0.000 0.459 1499 L N 0.207 121.339 121.223 -0.152 0.000 2.072 1499 L HA -0.043 4.298 4.340 0.002 0.000 0.205 1499 L C 2.541 179.307 176.870 -0.174 0.000 1.079 1499 L CA 1.412 56.044 54.840 -0.346 0.000 0.752 1499 L CB -0.700 41.242 42.059 -0.196 0.000 0.906 1499 L HN 0.310 nan 8.230 nan 0.000 0.436 1500 E N 1.418 121.621 120.200 0.004 0.000 2.160 1500 E HA -0.228 4.123 4.350 0.002 0.000 0.195 1500 E C 1.661 178.321 176.600 0.101 0.000 0.991 1500 E CA 1.140 57.593 56.400 0.087 0.000 0.810 1500 E CB 0.114 29.906 29.700 0.154 0.000 0.742 1500 E HN 0.417 nan 8.360 nan 0.000 0.466 1501 K N 0.025 120.495 120.400 0.116 0.000 2.616 1501 K HA -0.014 4.307 4.320 0.002 0.000 0.192 1501 K C 0.405 177.151 176.600 0.244 0.000 1.031 1501 K CA 0.164 56.543 56.287 0.154 0.000 1.004 1501 K CB -0.139 32.448 32.500 0.145 0.000 0.810 1501 K HN 0.337 nan 8.250 nan 0.000 0.497 1502 H N 0.022 119.127 119.070 0.057 0.000 2.490 1502 H HA 0.025 4.582 4.556 0.002 0.000 0.354 1502 H C 1.149 176.486 175.328 0.014 0.000 1.365 1502 H CA -0.278 55.789 56.048 0.033 0.000 1.413 1502 H CB 1.235 31.019 29.762 0.037 0.000 1.631 1502 H HN 0.200 nan 8.280 nan 0.000 0.607 1503 E N 0.109 120.359 120.200 0.083 0.000 2.332 1503 E HA 0.097 4.448 4.350 0.002 0.000 0.202 1503 E C 0.175 176.788 176.600 0.022 0.000 0.877 1503 E CA -0.077 56.340 56.400 0.028 0.000 0.979 1503 E CB 0.572 30.260 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 0.103 4.445 4.340 0.002 0.000 0.283 1504 L C 1.248 178.136 176.870 0.030 0.000 1.166 1504 L CA -0.162 54.666 54.840 -0.020 0.000 0.964 1504 L CB 0.430 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 0.850 121.439 120.570 0.032 0.000 2.576 1505 I HA -0.308 3.863 4.170 0.002 0.000 0.263 1505 I C 1.600 177.764 176.117 0.078 0.000 1.183 1505 I CA 1.225 62.557 61.300 0.053 0.000 1.432 1505 I CB -0.942 37.072 38.000 0.025 0.000 1.100 1505 I HN 0.619 nan 8.210 nan 0.000 0.452 1506 E N 1.339 121.565 120.200 0.043 0.000 2.086 1506 E HA -0.247 4.104 4.350 0.002 0.000 0.205 1506 E C 2.073 178.905 176.600 0.387 0.000 1.027 1506 E CA 2.197 58.657 56.400 0.100 0.000 0.830 1506 E CB -0.374 29.325 29.700 -0.002 0.000 0.751 1506 E HN 0.685 nan 8.360 nan 0.000 0.456 1507 F N -0.539 119.445 119.950 0.057 0.000 2.698 1507 F HA 0.133 4.661 4.527 0.002 0.000 0.295 1507 F C 2.352 178.129 175.800 -0.038 0.000 1.124 1507 F CA -0.319 57.680 58.000 -0.002 0.000 1.426 1507 F CB 0.203 39.161 39.000 -0.070 0.000 1.120 1507 F HN -0.170 nan 8.300 nan 0.000 0.583 1508 R N 0.199 120.811 120.500 0.188 0.000 2.307 1508 R HA -0.016 4.326 4.340 0.002 0.000 0.199 1508 R C 2.021 178.379 176.300 0.097 0.000 1.000 1508 R CA 0.336 56.502 56.100 0.111 0.000 1.023 1508 R CB -0.010 30.349 30.300 0.099 0.000 0.908 1508 R HN 0.196 nan 8.270 nan 0.000 0.473 1509 R N -0.035 120.533 120.500 0.113 0.000 2.175 1509 R HA 0.161 4.503 4.340 0.002 0.000 0.202 1509 R C 1.705 178.072 176.300 0.112 0.000 1.018 1509 R CA 0.527 56.684 56.100 0.094 0.000 1.029 1509 R CB 0.346 30.688 30.300 0.071 0.000 0.959 1509 R HN 0.116 nan 8.270 nan 0.000 0.480 1510 I N -0.013 120.627 120.570 0.117 0.000 2.867 1510 I HA 0.035 4.206 4.170 0.002 0.000 0.265 1510 I C 2.227 178.375 176.117 0.052 0.000 1.162 1510 I CA 0.562 61.932 61.300 0.116 0.000 1.471 1510 I CB -0.088 37.934 38.000 0.037 0.000 1.123 1510 I HN 0.142 nan 8.210 nan 0.000 0.440 1511 A N 1.254 124.062 122.820 -0.020 0.000 1.972 1511 A HA -0.145 4.177 4.320 0.002 0.000 0.219 1511 A C 2.534 180.093 177.584 -0.041 0.000 1.169 1511 A CA 1.829 53.768 52.037 -0.163 0.000 0.635 1511 A CB -0.577 18.360 19.000 -0.104 0.000 0.810 1511 A HN 0.415 nan 8.150 nan 0.000 0.446 1512 A N -1.062 121.804 122.820 0.078 0.000 1.877 1512 A HA -0.058 4.263 4.320 0.002 0.000 0.216 1512 A C 2.148 179.784 177.584 0.087 0.000 1.186 1512 A CA 1.686 53.787 52.037 0.106 0.000 0.620 1512 A CB -0.834 18.215 19.000 0.082 0.000 0.822 1512 A HN 0.787 nan 8.150 nan 0.000 0.443 1513 Y N 0.179 120.482 120.300 0.004 0.000 2.092 1513 Y HA -0.149 4.402 4.550 0.002 0.000 0.282 1513 Y C 2.032 177.933 175.900 0.001 0.000 1.126 1513 Y CA 1.683 59.783 58.100 0.001 0.000 1.111 1513 Y CB -0.810 37.643 38.460 -0.011 0.000 0.987 1513 Y HN 0.222 nan 8.280 nan 0.000 0.489 1514 L N -0.812 120.149 121.223 -0.437 0.000 2.064 1514 L HA -0.321 4.020 4.340 0.002 0.000 0.216 1514 L C 2.180 178.834 176.870 -0.359 0.000 1.077 1514 L CA 1.919 56.464 54.840 -0.493 0.000 0.766 1514 L CB -0.575 41.280 42.059 -0.340 0.000 0.890 1514 L HN 0.286 nan 8.230 nan 0.000 0.435 1515 F N 0.431 120.265 119.950 -0.193 0.000 2.206 1515 F HA -0.181 4.348 4.527 0.002 0.000 0.298 1515 F C 2.551 178.253 175.800 -0.164 0.000 1.090 1515 F CA 1.746 59.659 58.000 -0.146 0.000 1.323 1515 F CB -0.599 38.338 39.000 -0.105 0.000 1.028 1515 F HN 0.221 nan 8.300 nan 0.000 0.492 1516 K N 0.460 120.847 120.400 -0.022 0.000 2.031 1516 K HA 0.078 4.399 4.320 0.002 0.000 0.205 1516 K C 1.347 177.877 176.600 -0.117 0.000 1.049 1516 K CA 0.901 57.153 56.287 -0.058 0.000 0.939 1516 K CB -1.164 31.301 32.500 -0.058 0.000 0.717 1516 K HN 0.131 nan 8.250 nan 0.000 0.438 1517 G N 2.961 111.546 108.800 -0.357 0.000 2.491 1517 G HA2 -0.309 3.653 3.960 0.002 0.000 0.246 1517 G HA3 -0.309 3.653 3.960 0.002 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 0.783 nan 8.290 nan 0.000 0.515 1518 N N 0.034 118.764 118.700 0.050 0.000 2.644 1518 N HA -0.235 4.506 4.740 0.002 0.000 0.248 1518 N C -0.050 175.480 175.510 0.034 0.000 1.150 1518 N CA 1.710 54.796 53.050 0.060 0.000 0.727 1518 N CB -0.575 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 -0.334 118.382 118.700 0.028 0.000 2.690 1519 N HA 0.222 4.963 4.740 0.002 0.000 0.255 1519 N C 0.037 175.584 175.510 0.062 0.000 1.195 1519 N CA -0.428 52.649 53.050 0.044 0.000 0.790 1519 N CB 0.772 39.282 38.487 0.039 0.000 1.216 1519 N HN 0.164 nan 8.380 nan 0.000 0.528 1520 R N 0.098 120.637 120.500 0.064 0.000 2.241 1520 R HA -0.057 4.284 4.340 0.002 0.000 0.224 1520 R C 1.689 177.998 176.300 0.016 0.000 1.101 1520 R CA 0.801 56.922 56.100 0.035 0.000 0.995 1520 R CB -0.179 30.150 30.300 0.048 0.000 0.870 1520 R HN 0.591 nan 8.270 nan 0.000 0.463 1521 W N 1.980 123.226 121.300 -0.090 0.000 2.338 1521 W HA -0.197 4.465 4.660 0.002 0.000 0.304 1521 W C 1.187 177.624 176.519 -0.137 0.000 1.212 1521 W CA 1.441 58.724 57.345 -0.102 0.000 1.264 1521 W CB 0.090 29.501 29.460 -0.081 0.000 1.142 1521 W HN -0.137 nan 8.180 nan 0.000 0.512 1522 K N 0.336 120.811 120.400 0.125 0.000 1.977 1522 K HA -0.310 4.012 4.320 0.002 0.000 0.218 1522 K C 1.911 178.278 176.600 -0.388 0.000 1.051 1522 K CA 2.191 58.388 56.287 -0.149 0.000 0.953 1522 K CB -1.600 30.927 32.500 0.045 0.000 0.727 1522 K HN 0.410 nan 8.250 nan 0.000 0.445 1523 Q N 1.051 120.672 119.800 -0.299 0.000 2.156 1523 Q HA -0.231 4.111 4.340 0.002 0.000 0.211 1523 Q C 2.013 177.618 176.000 -0.658 0.000 0.995 1523 Q CA 2.840 58.393 55.803 -0.416 0.000 0.877 1523 Q CB -0.043 28.413 28.738 -0.469 0.000 0.920 1523 Q HN 0.455 nan 8.270 nan 0.000 0.416 1524 S N -0.809 114.440 115.700 -0.751 0.000 2.348 1524 S HA -0.064 4.407 4.470 0.002 0.000 0.219 1524 S C 1.813 176.096 174.600 -0.528 0.000 1.033 1524 S CA 0.804 58.629 58.200 -0.625 0.000 0.974 1524 S CB -0.681 62.293 63.200 -0.378 0.000 0.868 1524 S HN 0.294 nan 8.310 nan 0.000 0.459 1525 V N 1.521 121.009 119.914 -0.709 0.000 3.440 1525 V HA 0.098 4.220 4.120 0.002 0.000 0.274 1525 V C -0.073 175.676 176.094 -0.574 0.000 1.207 1525 V CA 1.234 63.080 62.300 -0.757 0.000 1.183 1525 V CB -1.039 29.947 31.823 -1.395 0.000 0.837 1525 V HN 0.479 nan 8.190 nan 0.000 0.532 1526 E N -0.760 119.151 120.200 -0.481 0.000 3.386 1526 E HA 0.374 4.726 4.350 0.002 0.000 0.236 1526 E C -0.244 176.182 176.600 -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 -0.305 120.737 121.223 -0.302 0.000 3.031 1527 L HA 0.463 4.804 4.340 0.002 0.000 0.167 1527 L C 0.636 177.362 176.870 -0.240 0.000 1.203 1527 L CA 0.259 54.934 54.840 -0.274 0.000 0.857 1527 L CB -0.381 41.456 42.059 -0.370 0.000 1.368 1527 L HN 0.564 nan 8.230 nan 0.000 0.534 1528 C N -0.610 118.507 119.300 -0.305 0.000 0.168 1528 C HA -0.244 4.217 4.460 0.002 0.000 0.017 1528 C C 2.277 177.174 174.990 -0.155 0.000 0.171 1528 C CA -0.068 58.820 59.018 -0.216 0.000 0.499 1528 C CB -1.245 26.400 27.740 -0.157 0.000 3.212 1528 C HN 0.724 nan 8.230 nan 0.000 1.118 1529 K N 1.137 121.494 120.400 -0.072 0.000 2.001 1529 K HA -0.211 4.111 4.320 0.002 0.000 0.223 1529 K C 1.084 177.649 176.600 -0.059 0.000 1.055 1529 K CA 2.286 58.558 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 1.153 121.519 120.400 -0.058 0.000 2.344 1530 K HA -0.129 4.193 4.320 0.002 0.000 0.260 1530 K C -0.300 176.254 176.600 -0.078 0.000 0.988 1530 K CA 0.629 56.881 56.287 -0.059 0.000 0.909 1530 K CB 0.366 32.843 32.500 -0.039 0.000 0.968 1530 K HN 0.173 nan 8.250 nan 0.000 0.505 1531 D N -0.101 120.261 120.400 -0.063 0.000 2.931 1531 D HA -0.184 4.457 4.640 0.002 0.000 0.228 1531 D C -0.654 175.603 176.300 -0.071 0.000 1.180 1531 D CA 1.315 55.283 54.000 -0.052 0.000 0.784 1531 D CB -1.164 39.608 40.800 -0.046 0.000 1.093 1531 D HN 0.358 nan 8.370 nan 0.000 0.421 1532 S N -0.020 115.609 115.700 -0.118 0.000 2.420 1532 S HA 0.476 4.948 4.470 0.002 0.000 0.313 1532 S C -0.578 173.900 174.600 -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 -0.116 0.000 0.969 1532 S HN 0.228 nan 8.310 nan 0.000 0.471 1533 L N 6.886 128.024 121.223 -0.143 0.000 2.287 1533 L HA 0.491 4.833 4.340 0.002 0.000 0.287 1533 L C -0.178 176.622 176.870 -0.117 0.000 1.022 1533 L CA -0.425 54.305 54.840 -0.183 0.000 0.814 1533 L CB 0.551 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 3.701 124.020 120.300 0.031 0.000 2.736 1534 Y HA -0.142 4.409 4.550 0.002 0.000 0.298 1534 Y C 1.510 177.362 175.900 -0.079 0.000 1.156 1534 Y CA 0.614 58.722 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 -0.369 120.043 120.400 0.020 0.000 2.183 1535 K HA 0.005 4.326 4.320 0.002 0.000 0.218 1535 K C 1.514 178.050 176.600 -0.106 0.000 1.025 1535 K CA 0.838 57.088 56.287 -0.062 0.000 0.944 1535 K CB -0.868 31.610 32.500 -0.037 0.000 0.936 1535 K HN 0.068 nan 8.250 nan 0.000 0.460 1536 D N 1.234 121.580 120.400 -0.090 0.000 2.263 1536 D HA -0.054 4.588 4.640 0.002 0.000 0.208 1536 D C 1.455 177.448 176.300 -0.512 0.000 0.971 1536 D CA 0.831 54.756 54.000 -0.124 0.000 0.867 1536 D CB 0.108 40.928 40.800 0.033 0.000 0.929 1536 D HN 0.317 nan 8.370 nan 0.000 0.492 1537 A N -0.246 122.245 122.820 -0.549 0.000 2.066 1537 A HA -0.063 4.259 4.320 0.002 0.000 0.218 1537 A C 1.709 178.954 177.584 -0.566 0.000 1.157 1537 A CA 0.741 52.161 52.037 -1.027 0.000 0.670 1537 A CB -0.135 18.738 19.000 -0.211 0.000 0.804 1537 A HN 0.156 nan 8.150 nan 0.000 0.453 1538 M N -0.556 118.932 119.600 -0.187 0.000 2.505 1538 M HA 0.143 4.624 4.480 0.002 0.000 0.230 1538 M C 0.813 177.163 176.300 0.082 0.000 1.153 1538 M CA 0.592 55.948 55.300 0.094 0.000 0.997 1538 M CB 0.139 32.792 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 4.449 4.340 0.002 0.000 0.261 1539 Q C 1.386 177.425 176.000 0.066 0.000 0.796 1539 Q CA 0.544 56.361 55.803 0.022 0.000 0.971 1539 Q CB -0.031 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 -0.754 119.597 120.300 0.084 0.000 2.546 1540 Y HA 0.531 5.083 4.550 0.002 0.000 0.287 1540 Y C 1.728 177.639 175.900 0.019 0.000 1.158 1540 Y CA 0.094 58.224 58.100 0.049 0.000 1.307 1540 Y CB -0.842 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 0.373 123.370 122.820 0.295 0.000 1.878 1541 A HA -0.083 4.239 4.320 0.002 0.000 0.213 1541 A C 2.491 180.076 177.584 0.002 0.000 1.192 1541 A CA 1.290 53.416 52.037 0.148 0.000 0.619 1541 A CB -1.275 17.754 19.000 0.048 0.000 0.837 1541 A HN 0.426 nan 8.150 nan 0.000 0.446 1542 S N 0.319 116.017 115.700 -0.005 0.000 2.393 1542 S HA -0.321 4.150 4.470 0.002 0.000 0.234 1542 S C 1.720 176.165 174.600 -0.259 0.000 1.064 1542 S CA 2.286 60.431 58.200 -0.092 0.000 1.088 1542 S CB -0.547 62.687 63.200 0.057 0.000 0.939 1542 S HN 0.659 nan 8.310 nan 0.000 0.448 1543 E N 0.962 121.088 120.200 -0.124 0.000 2.338 1543 E HA 0.024 4.375 4.350 0.002 0.000 0.197 1543 E C 0.998 177.540 176.600 -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 0.447 116.108 115.700 -0.066 0.000 2.589 1544 S HA -0.015 4.456 4.470 0.002 0.000 0.256 1544 S C 0.982 175.548 174.600 -0.055 0.000 1.383 1544 S CA 0.314 58.496 58.200 -0.031 0.000 0.983 1544 S CB 0.648 63.840 63.200 -0.013 0.000 0.908 1544 S HN 0.150 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 4.436 4.320 0.002 0.000 0.218 1545 K C -0.269 176.330 176.600 -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 1.857 122.273 120.400 0.026 0.000 3.008 1546 D HA 0.030 4.672 4.640 0.002 0.000 0.242 1546 D C 0.448 176.770 176.300 0.037 0.000 1.222 1546 D CA 0.479 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 0.406 114.967 114.554 0.012 0.000 2.142 1547 T HA -0.398 3.953 4.350 0.002 0.000 0.179 1547 T C 1.556 176.270 174.700 0.025 0.000 1.682 1547 T CA 2.134 64.239 62.100 0.008 0.000 0.955 1547 T CB -0.566 68.315 68.868 0.021 0.000 0.784 1547 T HN 0.424 nan 8.240 nan 0.000 0.441 1548 E N 1.381 121.609 120.200 0.047 0.000 2.236 1548 E HA -0.158 4.194 4.350 0.002 0.000 0.205 1548 E C 2.089 178.739 176.600 0.083 0.000 1.028 1548 E CA 0.748 57.189 56.400 0.068 0.000 0.827 1548 E CB -0.746 28.994 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 0.072 0.000 2.351 1549 L HA -0.136 4.205 4.340 0.002 0.000 0.220 1549 L C 2.173 179.086 176.870 0.072 0.000 1.127 1549 L CA 1.420 56.304 54.840 0.073 0.000 0.786 1549 L CB -1.231 40.865 42.059 0.061 0.000 0.914 1549 L HN 0.114 nan 8.230 nan 0.000 0.443 1550 A N -0.455 122.383 122.820 0.031 0.000 1.873 1550 A HA -0.196 4.125 4.320 0.002 0.000 0.215 1550 A C 2.147 179.943 177.584 0.354 0.000 1.186 1550 A CA 1.284 53.329 52.037 0.013 0.000 0.616 1550 A CB -0.335 18.631 19.000 -0.056 0.000 0.823 1550 A HN 0.454 nan 8.150 nan 0.000 0.442 1551 E N -0.357 119.994 120.200 0.252 0.000 2.153 1551 E HA -0.179 4.172 4.350 0.002 0.000 0.194 1551 E C 1.973 178.728 176.600 0.258 0.000 0.988 1551 E CA 0.996 57.546 56.400 0.250 0.000 0.811 1551 E CB -0.122 29.675 29.700 0.162 0.000 0.746 1551 E HN 0.618 nan 8.360 nan 0.000 0.466 1552 E N 0.801 121.130 120.200 0.216 0.000 2.012 1552 E HA -0.190 4.161 4.350 0.002 0.000 0.197 1552 E C 2.361 179.135 176.600 0.290 0.000 1.007 1552 E CA 0.852 57.366 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 0.243 nan 8.360 nan 0.000 0.451 1553 L N 0.485 121.923 121.223 0.359 0.000 1.971 1553 L HA -0.254 4.087 4.340 0.002 0.000 0.215 1553 L C 2.755 180.133 176.870 0.846 0.000 1.072 1553 L CA 0.857 56.042 54.840 0.575 0.000 0.758 1553 L CB -0.553 41.930 42.059 0.707 0.000 0.889 1553 L HN 0.166 nan 8.230 nan 0.000 0.433 1554 L N -0.092 121.695 121.223 0.940 0.000 1.990 1554 L HA -0.294 4.048 4.340 0.002 0.000 0.213 1554 L C 2.640 179.739 176.870 0.383 0.000 1.072 1554 L CA 1.951 57.202 54.840 0.684 0.000 0.755 1554 L CB -0.711 41.566 42.059 0.364 0.000 0.889 1554 L HN 0.274 nan 8.230 nan 0.000 0.432 1555 Q N -1.338 118.645 119.800 0.303 0.000 2.173 1555 Q HA -0.303 4.038 4.340 0.002 0.000 0.208 1555 Q C 1.958 178.077 176.000 0.199 0.000 0.989 1555 Q CA 2.642 58.565 55.803 0.200 0.000 0.872 1555 Q CB -0.737 28.120 28.738 0.199 0.000 0.909 1555 Q HN 0.682 nan 8.270 nan 0.000 0.420 1556 W N -0.490 120.868 121.300 0.096 0.000 2.409 1556 W HA -0.070 4.592 4.660 0.002 0.000 0.299 1556 W C 1.277 177.799 176.519 0.006 0.000 1.203 1556 W CA 0.938 58.288 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 -0.815 0.000 2.085 1557 F HA -0.312 4.217 4.527 0.002 0.000 0.299 1557 F C 2.393 177.814 175.800 -0.632 0.000 1.096 1557 F CA 2.282 59.624 58.000 -1.097 0.000 1.227 1557 F CB -1.600 37.057 39.000 -0.572 0.000 0.983 1557 F HN -0.010 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 -0.240 4.101 4.340 0.002 0.000 0.211 1558 L C 2.186 178.983 176.870 -0.121 0.000 1.071 1558 L CA 1.934 56.689 54.840 -0.143 0.000 0.749 1558 L CB -0.955 41.008 42.059 -0.159 0.000 0.890 1558 L HN 0.205 nan 8.230 nan 0.000 0.431 1559 Q N -1.344 118.406 119.800 -0.084 0.000 2.436 1559 Q HA -0.092 4.250 4.340 0.002 0.000 0.209 1559 Q C 1.158 177.150 176.000 -0.014 0.000 0.965 1559 Q CA 0.912 56.709 55.803 -0.011 0.000 0.910 1559 Q CB 0.243 29.020 28.738 0.066 0.000 0.980 1559 Q HN 0.550 nan 8.270 nan 0.000 0.491 1560 E N -0.878 119.255 120.200 -0.112 0.000 2.617 1560 E HA 0.094 4.445 4.350 0.002 0.000 0.208 1560 E C -0.370 176.186 176.600 -0.073 0.000 0.888 1560 E CA 0.286 56.670 56.400 -0.026 0.000 1.485 1560 E CB 1.140 30.958 29.700 0.196 0.000 1.482 1560 E HN 0.030 nan 8.360 nan 0.000 0.813 1561 E N -0.343 119.714 120.200 -0.239 0.000 2.456 1561 E HA 0.345 4.696 4.350 0.002 0.000 0.276 1561 E C 0.006 176.540 176.600 -0.109 0.000 0.981 1561 E CA -0.291 56.030 56.400 -0.132 0.000 0.814 1561 E CB 1.216 30.812 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 4.556 4.320 0.002 0.000 0.201 1562 K C 0.909 177.449 176.600 -0.099 0.000 1.128 1562 K CA -0.047 56.189 56.287 -0.085 0.000 1.000 1562 K CB 0.411 32.863 32.500 -0.080 0.000 0.961 1562 K HN 0.357 nan 8.250 nan 0.000 0.555 1563 R N 2.692 123.144 120.500 -0.081 0.000 2.386 1563 R HA -0.048 4.293 4.340 0.002 0.000 0.216 1563 R C 1.298 177.489 176.300 -0.181 0.000 1.119 1563 R CA 0.223 56.268 56.100 -0.092 0.000 1.158 1563 R CB -0.055 30.215 30.300 -0.050 0.000 1.057 1563 R HN 0.282 nan 8.270 nan 0.000 0.489 1564 E N -0.961 119.099 120.200 -0.233 0.000 2.187 1564 E HA -0.294 4.058 4.350 0.002 0.000 0.199 1564 E C 1.368 177.695 176.600 -0.455 0.000 1.004 1564 E CA 1.557 57.698 56.400 -0.432 0.000 0.813 1564 E CB -0.545 28.997 29.700 -0.263 0.000 0.736 1564 E HN 0.363 nan 8.360 nan 0.000 0.468 1565 C N 0.846 119.979 119.300 -0.277 0.000 2.437 1565 C HA -0.198 4.263 4.460 0.002 0.000 0.284 1565 C C 2.399 177.197 174.990 -0.320 0.000 1.208 1565 C CA 1.023 59.891 59.018 -0.251 0.000 1.764 1565 C CB -1.470 26.181 27.740 -0.148 0.000 2.039 1565 C HN 0.503 nan 8.230 nan 0.000 0.444 1566 F N 1.927 121.674 119.950 -0.337 0.000 2.236 1566 F HA -0.028 4.501 4.527 0.002 0.000 0.302 1566 F C 2.079 177.612 175.800 -0.445 0.000 1.073 1566 F CA 1.395 59.208 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 -0.414 108.072 108.800 -0.522 0.000 2.679 1567 G HA2 -0.180 3.782 3.960 0.002 0.000 0.214 1567 G HA3 -0.180 3.782 3.960 0.002 0.000 0.214 1567 G C 1.802 175.845 174.900 -1.430 0.000 1.315 1567 G CA 0.834 45.222 45.100 -1.186 0.000 0.836 1567 G HN 0.474 nan 8.290 nan 0.000 0.580 1568 A N -0.943 121.136 122.820 -1.235 0.000 2.214 1568 A HA -0.120 4.201 4.320 0.002 0.000 0.221 1568 A C 2.363 179.529 177.584 -0.696 0.000 1.167 1568 A CA 2.083 53.573 52.037 -0.911 0.000 0.670 1568 A CB -0.808 17.887 19.000 -0.509 0.000 0.797 1568 A HN 0.427 nan 8.150 nan 0.000 0.477 1569 C N -2.379 116.451 119.300 -0.784 0.000 2.543 1569 C HA 0.210 4.671 4.460 0.002 0.000 0.289 1569 C C 2.362 176.958 174.990 -0.656 0.000 1.368 1569 C CA 0.498 58.898 59.018 -1.030 0.000 1.778 1569 C CB -1.261 25.893 27.740 -0.976 0.000 2.155 1569 C HN 0.701 nan 8.230 nan 0.000 0.529 1570 L N 0.372 121.321 121.223 -0.457 0.000 2.261 1570 L HA -0.123 4.218 4.340 0.002 0.000 0.216 1570 L C 2.154 179.090 176.870 0.109 0.000 1.114 1570 L CA 1.556 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 0.411 120.251 119.950 -0.182 0.000 2.031 1571 F HA -0.234 4.295 4.527 0.002 0.000 0.295 1571 F C 2.857 178.635 175.800 -0.037 0.000 1.133 1571 F CA 1.871 59.834 58.000 -0.063 0.000 1.188 1571 F CB -1.598 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 -2.208 112.414 114.554 0.114 0.000 2.684 1572 T HA -0.266 4.085 4.350 0.002 0.000 0.267 1572 T C 2.182 176.944 174.700 0.104 0.000 1.036 1572 T CA 1.623 63.789 62.100 0.110 0.000 1.148 1572 T CB -1.568 67.401 68.868 0.168 0.000 0.863 1572 T HN 0.317 nan 8.240 nan 0.000 0.436 1573 C N -0.034 119.274 119.300 0.013 0.000 2.396 1573 C HA -0.103 4.358 4.460 0.002 0.000 0.279 1573 C C 1.266 176.218 174.990 -0.064 0.000 1.229 1573 C CA -0.166 58.831 59.018 -0.035 0.000 1.801 1573 C CB -1.801 25.865 27.740 -0.124 0.000 2.050 1573 C HN 0.547 nan 8.230 nan 0.000 0.491 1574 Y N 2.138 122.422 120.300 -0.027 0.000 2.624 1574 Y HA 0.213 4.765 4.550 0.002 0.000 0.354 1574 Y C 0.791 176.688 175.900 -0.005 0.000 1.051 1574 Y CA 0.563 58.653 58.100 -0.016 0.000 1.377 1574 Y CB -0.820 37.636 38.460 -0.007 0.000 1.168 1574 Y HN 0.473 nan 8.280 nan 0.000 0.525 1575 D N 0.801 121.288 120.400 0.146 0.000 3.899 1575 D HA -0.328 4.313 4.640 0.002 0.000 0.146 1575 D C -1.265 175.088 176.300 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 40.148 40.800 0.136 0.000 0.474 1575 D HN 0.338 nan 8.370 nan 0.000 0.457 1576 L N -0.143 121.141 121.223 0.103 0.000 2.588 1576 L HA 0.472 4.813 4.340 0.002 0.000 0.263 1576 L C -0.646 176.284 176.870 0.099 0.000 0.935 1576 L CA -0.409 54.494 54.840 0.104 0.000 0.891 1576 L CB 1.601 43.716 42.059 0.093 0.000 1.318 1576 L HN 0.523 nan 8.230 nan 0.000 0.409 1577 L N 1.022 122.310 121.223 0.108 0.000 3.039 1577 L HA 0.602 4.944 4.340 0.002 0.000 0.269 1577 L C 0.732 177.676 176.870 0.123 0.000 1.169 1577 L CA -0.315 54.579 54.840 0.090 0.000 0.986 1577 L CB 0.153 42.242 42.059 0.050 0.000 1.377 1577 L HN 0.415 nan 8.230 nan 0.000 0.575 1578 R N 2.515 123.109 120.500 0.157 0.000 2.755 1578 R HA 0.460 4.801 4.340 0.002 0.000 0.268 1578 R C -2.412 173.978 176.300 0.149 0.000 1.295 1578 R CA -1.790 54.418 56.100 0.180 0.000 1.379 1578 R CB 0.565 30.998 30.300 0.222 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 -0.322 62.832 63.100 0.090 0.000 0.741 1579 P CB 0.750 32.491 31.700 0.067 0.000 1.545 1580 D N -1.078 119.355 120.400 0.055 0.000 2.117 1580 D HA -0.102 4.539 4.640 0.002 0.000 0.198 1580 D C 1.999 178.251 176.300 -0.080 0.000 0.982 1580 D CA 0.951 54.965 54.000 0.025 0.000 0.828 1580 D CB -1.113 39.711 40.800 0.041 0.000 0.967 1580 D HN -0.085 nan 8.370 nan 0.000 0.464 1581 V N 1.078 120.964 119.914 -0.048 0.000 2.277 1581 V HA -0.288 3.833 4.120 0.002 0.000 0.255 1581 V C 2.595 178.619 176.094 -0.116 0.000 1.074 1581 V CA 1.613 63.868 62.300 -0.074 0.000 1.058 1581 V CB -0.742 31.074 31.823 -0.012 0.000 0.656 1581 V HN 0.090 nan 8.190 nan 0.000 0.449 1582 V N -0.768 119.119 119.914 -0.046 0.000 2.446 1582 V HA -0.092 4.029 4.120 0.002 0.000 0.244 1582 V C 2.204 178.258 176.094 -0.066 0.000 1.039 1582 V CA 1.321 63.610 62.300 -0.019 0.000 1.045 1582 V CB -0.498 31.378 31.823 0.089 0.000 0.681 1582 V HN 0.439 nan 8.190 nan 0.000 0.459 1583 L N 0.255 121.469 121.223 -0.015 0.000 2.261 1583 L HA -0.218 4.123 4.340 0.002 0.000 0.216 1583 L C 2.474 178.821 176.870 -0.872 0.000 1.114 1583 L CA 1.941 56.858 54.840 0.129 0.000 0.777 1583 L CB -0.405 41.856 42.059 0.337 0.000 0.910 1583 L HN 0.496 nan 8.230 nan 0.000 0.440 1584 E N -0.334 119.042 120.200 -1.374 0.000 2.099 1584 E HA -0.118 4.234 4.350 0.002 0.000 0.191 1584 E C 1.939 177.818 176.600 -1.203 0.000 0.962 1584 E CA 0.910 55.803 56.400 -2.512 0.000 0.826 1584 E CB 0.173 28.913 29.700 -1.601 0.000 0.788 1584 E HN 0.250 nan 8.360 nan 0.000 0.461 1585 T N 0.977 115.191 114.554 -0.567 0.000 2.774 1585 T HA -0.296 4.056 4.350 0.002 0.000 0.264 1585 T C 1.691 176.313 174.700 -0.131 0.000 1.037 1585 T CA 1.643 63.618 62.100 -0.208 0.000 1.152 1585 T CB -0.338 68.494 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 0.076 4.397 4.320 0.002 0.000 0.216 1586 A C 1.940 179.509 177.584 -0.024 0.000 1.156 1586 A CA 0.549 52.510 52.037 -0.125 0.000 0.701 1586 A CB -0.478 18.515 19.000 -0.012 0.000 0.816 1586 A HN 0.576 nan 8.150 nan 0.000 0.458 1587 W N 0.309 121.454 121.300 -0.259 0.000 2.452 1587 W HA 0.038 4.700 4.660 0.002 0.000 0.313 1587 W C 2.359 178.833 176.519 -0.075 0.000 1.176 1587 W CA 0.758 57.980 57.345 -0.206 0.000 1.350 1587 W CB -1.208 28.121 29.460 -0.219 0.000 1.148 1587 W HN 0.439 nan 8.180 nan 0.000 0.498 1588 R N -0.359 120.246 120.500 0.176 0.000 2.193 1588 R HA -0.124 4.218 4.340 0.002 0.000 0.229 1588 R C 1.127 177.471 176.300 0.073 0.000 1.110 1588 R CA 1.382 57.534 56.100 0.085 0.000 0.988 1588 R CB -0.465 29.851 30.300 0.025 0.000 0.871 1588 R HN 0.280 nan 8.270 nan 0.000 0.458 1589 H N -0.466 118.608 119.070 0.008 0.000 3.591 1589 H HA 0.104 4.661 4.556 0.002 0.000 0.197 1589 H C 1.450 176.798 175.328 0.034 0.000 1.601 1589 H CA 0.012 56.065 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 0.114 nan 8.280 nan 0.000 0.846 1590 N N 1.687 120.502 118.700 0.192 0.000 2.133 1590 N HA -0.271 4.471 4.740 0.002 0.000 0.193 1590 N C 1.537 177.127 175.510 0.134 0.000 1.012 1590 N CA 1.733 54.840 53.050 0.094 0.000 0.871 1590 N CB -0.124 38.369 38.487 0.010 0.000 1.011 1590 N HN 0.734 nan 8.380 nan 0.000 0.435 1591 I N -0.821 119.853 120.570 0.174 0.000 4.907 1591 I HA -0.403 3.769 4.170 0.002 0.000 0.038 1591 I C 0.485 176.749 176.117 0.244 0.000 0.635 1591 I CA 1.518 62.936 61.300 0.197 0.000 0.208 1591 I CB -0.794 37.278 38.000 0.120 0.000 0.321 1591 I HN 0.318 nan 8.210 nan 0.000 0.150 1592 M N 2.866 122.554 119.600 0.147 0.000 2.330 1592 M HA -0.130 4.352 4.480 0.002 0.000 0.436 1592 M C 0.245 176.612 176.300 0.111 0.000 1.536 1592 M CA 2.275 57.644 55.300 0.114 0.000 0.842 1592 M CB -1.174 31.470 32.600 0.072 0.000 2.060 1592 M HN 0.668 nan 8.290 nan 0.000 0.511 1593 D N 3.111 123.571 120.400 0.100 0.000 2.839 1593 D HA -0.278 4.363 4.640 0.002 0.000 0.194 1593 D C 0.350 176.716 176.300 0.110 0.000 0.988 1593 D CA 1.444 55.485 54.000 0.068 0.000 1.009 1593 D CB -2.120 38.695 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 4.918 4.527 0.002 0.000 0.293 1594 F C 1.237 177.080 175.800 0.073 0.000 1.119 1594 F CA 0.799 58.843 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 0.018 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 4.727 4.320 0.002 0.000 0.306 1595 A C 0.352 177.920 177.584 -0.026 0.000 1.473 1595 A CA -0.050 52.017 52.037 0.050 0.000 1.155 1595 A CB -0.381 18.666 19.000 0.077 0.000 1.123 1595 A HN 0.595 nan 8.150 nan 0.000 0.545 1596 M N 0.768 120.318 119.600 -0.083 0.000 2.102 1596 M HA 0.205 4.686 4.480 0.002 0.000 0.199 1596 M C -1.869 174.442 176.300 0.017 0.000 1.558 1596 M CA -0.270 55.013 55.300 -0.029 0.000 0.982 1596 M CB -0.804 31.780 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 -1.253 176.105 177.300 0.097 0.000 1.113 1597 P CA 1.405 64.349 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 2.002 122.252 120.300 -0.084 0.000 3.147 1598 Y HA 0.102 4.654 4.550 0.002 0.000 0.219 1598 Y C 1.920 177.791 175.900 -0.049 0.000 1.021 1598 Y CA 0.440 58.563 58.100 0.038 0.000 1.440 1598 Y CB -0.568 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 0.126 4.654 4.527 0.002 0.000 0.292 1599 F C 1.851 177.614 175.800 -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 37.377 39.000 -0.068 0.000 1.041 1599 F HN -0.092 nan 8.300 nan 0.000 0.487 1600 I N 0.427 120.424 120.570 -0.955 0.000 2.381 1600 I HA -0.293 3.878 4.170 0.002 0.000 0.255 1600 I C 1.824 177.799 176.117 -0.236 0.000 1.140 1600 I CA 1.413 62.399 61.300 -0.523 0.000 1.404 1600 I CB -0.592 37.035 38.000 -0.621 0.000 1.075 1600 I HN 0.287 nan 8.210 nan 0.000 0.433 1601 Q N -0.370 119.292 119.800 -0.230 0.000 2.376 1601 Q HA 0.042 4.383 4.340 0.002 0.000 0.206 1601 Q C 2.218 178.174 176.000 -0.072 0.000 0.921 1601 Q CA 0.502 56.230 55.803 -0.125 0.000 0.911 1601 Q CB -0.201 28.456 28.738 -0.135 0.000 1.032 1601 Q HN 0.285 nan 8.270 nan 0.000 0.510 1602 V N 1.477 121.340 119.914 -0.085 0.000 2.392 1602 V HA -0.291 3.831 4.120 0.002 0.000 0.249 1602 V C 2.035 178.109 176.094 -0.034 0.000 1.059 1602 V CA 2.182 64.448 62.300 -0.058 0.000 1.051 1602 V CB -0.716 31.057 31.823 -0.083 0.000 0.658 1602 V HN 0.552 nan 8.190 nan 0.000 0.455 1603 M N -1.628 117.947 119.600 -0.042 0.000 2.447 1603 M HA 0.053 4.534 4.480 0.002 0.000 0.264 1603 M C 1.965 178.326 176.300 0.101 0.000 1.095 1603 M CA 1.413 56.721 55.300 0.013 0.000 1.125 1603 M CB -0.460 32.141 32.600 0.002 0.000 1.389 1603 M HN 0.052 nan 8.290 nan 0.000 0.459 1604 K N 1.461 121.890 120.400 0.049 0.000 1.973 1604 K HA -0.049 4.272 4.320 0.002 0.000 0.210 1604 K C 1.865 178.502 176.600 0.061 0.000 1.045 1604 K CA 1.714 58.027 56.287 0.043 0.000 0.937 1604 K CB -0.172 32.328 32.500 0.000 0.000 0.721 1604 K HN 0.426 nan 8.250 nan 0.000 0.438 1605 E N -0.370 119.864 120.200 0.057 0.000 2.478 1605 E HA -0.140 4.211 4.350 0.002 0.000 0.198 1605 E C 1.531 178.176 176.600 0.076 0.000 1.046 1605 E CA 0.379 56.807 56.400 0.047 0.000 0.870 1605 E CB 0.104 29.817 29.700 0.022 0.000 0.818 1605 E HN 0.288 nan 8.360 nan 0.000 0.527 1606 Y N 0.455 120.747 120.300 -0.014 0.000 2.220 1606 Y HA -0.071 4.480 4.550 0.002 0.000 0.291 1606 Y C 1.625 177.526 175.900 0.001 0.000 1.129 1606 Y CA 1.110 59.207 58.100 -0.006 0.000 1.161 1606 Y CB 0.237 38.697 38.460 -0.000 0.000 0.997 1606 Y HN -0.056 nan 8.280 nan 0.000 0.522 1607 L N -0.248 121.074 121.223 0.166 0.000 2.715 1607 L HA 0.087 4.429 4.340 0.002 0.000 0.238 1607 L C 0.633 177.528 176.870 0.042 0.000 1.212 1607 L CA 0.512 55.407 54.840 0.091 0.000 1.017 1607 L CB -0.178 41.941 42.059 0.101 0.000 1.269 1607 L HN 0.140 nan 8.230 nan 0.000 0.452 1608 T N -2.896 111.670 114.554 0.020 0.000 3.046 1608 T HA 0.087 4.439 4.350 0.002 0.000 0.270 1608 T C 1.613 176.298 174.700 -0.025 0.000 0.920 1608 T CA -0.182 61.919 62.100 0.001 0.000 0.874 1608 T CB 0.750 69.623 68.868 0.008 0.000 1.214 1608 T HN 0.088 nan 8.240 nan 0.000 0.536 1609 K N 0.723 121.089 120.400 -0.057 0.000 2.262 1609 K HA 0.260 4.581 4.320 0.002 0.000 0.200 1609 K C 2.044 178.578 176.600 -0.109 0.000 1.058 1609 K CA 0.379 56.610 56.287 -0.094 0.000 0.974 1609 K CB 0.087 32.500 32.500 -0.145 0.000 0.910 1609 K HN 0.038 nan 8.250 nan 0.000 0.484 1610 V N 2.865 122.700 119.914 -0.133 0.000 2.720 1610 V HA -0.233 3.888 4.120 0.002 0.000 0.256 1610 V C 1.685 177.747 176.094 -0.055 0.000 1.082 1610 V CA 2.559 64.796 62.300 -0.106 0.000 1.101 1610 V CB -0.271 31.498 31.823 -0.089 0.000 0.693 1610 V HN 0.387 nan 8.190 nan 0.000 0.479 1611 D N -0.729 119.646 120.400 -0.040 0.000 2.194 1611 D HA -0.161 4.480 4.640 0.002 0.000 0.204 1611 D C 2.025 178.309 176.300 -0.026 0.000 0.964 1611 D CA 1.338 55.325 54.000 -0.022 0.000 0.846 1611 D CB -0.229 40.565 40.800 -0.011 0.000 0.962 1611 D HN 0.456 nan 8.370 nan 0.000 0.490 1612 K N 0.184 120.563 120.400 -0.036 0.000 1.969 1612 K HA -0.096 4.226 4.320 0.002 0.000 0.216 1612 K C 2.329 178.910 176.600 -0.031 0.000 1.048 1612 K CA 1.562 57.830 56.287 -0.033 0.000 0.948 1612 K CB -0.437 32.038 32.500 -0.041 0.000 0.726 1612 K HN 0.213 nan 8.250 nan 0.000 0.442 1613 L N 1.295 122.494 121.223 -0.040 0.000 2.127 1613 L HA -0.235 4.106 4.340 0.002 0.000 0.211 1613 L C 1.977 178.831 176.870 -0.026 0.000 1.089 1613 L CA 1.007 55.826 54.840 -0.035 0.000 0.757 1613 L CB -0.622 41.410 42.059 -0.044 0.000 0.899 1613 L HN 0.238 nan 8.230 nan 0.000 0.434 1614 D N 0.467 120.852 120.400 -0.025 0.000 2.097 1614 D HA -0.125 4.516 4.640 0.002 0.000 0.197 1614 D C 2.307 178.600 176.300 -0.012 0.000 0.984 1614 D CA 1.553 55.544 54.000 -0.016 0.000 0.826 1614 D CB -0.047 40.745 40.800 -0.013 0.000 0.973 1614 D HN 0.297 nan 8.370 nan 0.000 0.460 1615 A N 0.786 123.599 122.820 -0.013 0.000 1.940 1615 A HA -0.166 4.155 4.320 0.002 0.000 0.219 1615 A C 2.453 180.031 177.584 -0.010 0.000 1.176 1615 A CA 1.783 53.814 52.037 -0.010 0.000 0.631 1615 A CB -0.546 18.448 19.000 -0.010 0.000 0.814 1615 A HN 0.134 nan 8.150 nan 0.000 0.446 1616 S N -0.771 114.921 115.700 -0.013 0.000 2.353 1616 S HA -0.210 4.262 4.470 0.002 0.000 0.222 1616 S C 1.977 176.571 174.600 -0.011 0.000 1.035 1616 S CA 1.691 59.883 58.200 -0.013 0.000 1.025 1616 S CB -0.275 62.915 63.200 -0.016 0.000 0.902 1616 S HN 0.802 nan 8.310 nan 0.000 0.440 1617 E N 0.798 120.992 120.200 -0.011 0.000 2.208 1617 E HA -0.062 4.289 4.350 0.002 0.000 0.193 1617 E C 1.870 178.467 176.600 -0.006 0.000 0.988 1617 E CA 0.957 57.352 56.400 -0.008 0.000 0.828 1617 E CB -0.042 29.653 29.700 -0.008 0.000 0.763 1617 E HN 0.357 nan 8.360 nan 0.000 0.478 1618 S N 0.897 116.594 115.700 -0.006 0.000 2.353 1618 S HA -0.137 4.335 4.470 0.002 0.000 0.222 1618 S C 1.757 176.355 174.600 -0.004 0.000 1.035 1618 S CA 0.889 59.086 58.200 -0.004 0.000 1.025 1618 S CB -0.193 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 1.462 122.682 121.223 -0.005 0.000 2.093 1619 L HA -0.004 4.337 4.340 0.002 0.000 0.208 1619 L C 2.508 179.375 176.870 -0.005 0.000 1.085 1619 L CA 1.310 56.147 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 0.572 121.069 120.500 -0.005 0.000 2.171 1620 R HA -0.278 4.064 4.340 0.002 0.000 0.232 1620 R C 2.306 178.604 176.300 -0.004 0.000 1.116 1620 R CA 2.253 58.350 56.100 -0.005 0.000 0.901 1620 R CB -0.059 30.238 30.300 -0.005 0.000 0.850 1620 R HN 0.132 nan 8.270 nan 0.000 0.431 1621 K N 0.471 120.869 120.400 -0.003 0.000 2.015 1621 K HA -0.276 4.045 4.320 0.002 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 0.361 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 3.981 4.350 0.002 0.000 0.212 1622 E C 2.103 178.702 176.600 -0.002 0.000 1.039 1622 E CA 2.086 58.485 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 0.088 120.287 120.200 -0.003 0.000 2.086 1623 E HA -0.304 4.047 4.350 0.002 0.000 0.205 1623 E C 2.125 178.724 176.600 -0.002 0.000 1.027 1623 E CA 2.032 58.430 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 0.399 nan 8.360 nan 0.000 0.456 1624 E N -0.102 120.097 120.200 -0.002 0.000 2.051 1624 E HA -0.231 4.121 4.350 0.002 0.000 0.192 1624 E C 2.324 178.924 176.600 -0.001 0.000 0.991 1624 E CA 1.338 57.737 56.400 -0.002 0.000 0.799 1624 E CB -0.075 29.624 29.700 -0.002 0.000 0.748 1624 E HN 0.375 nan 8.360 nan 0.000 0.449 1625 Q N 0.572 120.371 119.800 -0.001 0.000 1.935 1625 Q HA -0.245 4.097 4.340 0.002 0.000 0.212 1625 Q C 2.369 178.368 176.000 -0.001 0.000 1.008 1625 Q CA 1.675 57.477 55.803 -0.001 0.000 0.868 1625 Q CB -0.473 28.265 28.738 -0.001 0.000 0.946 1625 Q HN 0.262 nan 8.270 nan 0.000 0.418 1626 A N 0.808 123.627 122.820 -0.001 0.000 1.971 1626 A HA -0.287 4.034 4.320 0.002 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 -1.303 17.696 19.000 -0.001 0.000 0.818 1626 A HN 0.494 nan 8.150 nan 0.000 0.458 1627 T N -0.724 113.829 114.554 -0.001 0.000 2.588 1627 T HA -0.181 4.170 4.350 0.002 0.000 0.261 1627 T C 1.794 176.493 174.700 -0.001 0.000 1.069 1627 T CA 1.425 63.525 62.100 -0.001 0.000 1.172 1627 T CB -0.392 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 0.582 120.782 120.200 -0.001 0.000 2.333 1628 E HA -0.112 4.240 4.350 0.002 0.000 0.200 1628 E C -0.035 176.565 176.600 -0.001 0.000 1.010 1628 E CA 0.817 57.216 56.400 -0.001 0.000 0.841 1628 E CB 0.128 29.828 29.700 -0.001 0.000 0.757 1628 E HN 0.308 nan 8.360 nan 0.000 0.508 1629 T N 0.433 114.987 114.554 -0.001 0.000 3.734 1629 T HA 0.206 4.558 4.350 0.002 0.000 0.238 1629 T C -0.800 173.899 174.700 -0.001 0.000 1.205 1629 T CA -0.350 61.749 62.100 -0.001 0.000 1.606 1629 T CB 0.908 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 4.341 4.340 0.002 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