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 1ewr_1_B DATA FIRST_RESID 1117 DATA SEQUENCE TPGTLLQESL LPREANYLAA IATGDGWGLA FLDVSTGEFK GTVLKSKSAL DATA SEQUENCE YDELFRHRPA EVLLAPELLE NGAFLDEFRK XXXXXLSEAP FEPEGEGPLA DATA SEQUENCE LRRARGALLA YAQRTQGGAL SLQPFRFYDP GAFXRLPEAT LRALEVFEPL DATA SEQUENCE RGQDTLFSVL DETRTAPGRR LLQSWLRHPL LDRGPLEARL DRVEGFVREG DATA SEQUENCE ALREGVRRLL YRLADLERLA TRLELGRASP KDLGALRRSL QILPELRALL DATA SEQUENCE GEEVGLPDLS PLKEELEAAL VEDPPXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XREEEVFLEV RERAKRQAEA DATA SEQUENCE LREAARILAE LDVYAALAEV AVRYGYVRPR FGDRLQIRAG RHPVVERRTE DATA SEQUENCE FVPNDLEXAH ELVLITGPNX AGKSTFLRQT ALIALLAQVG SFVPAEEAHL DATA SEQUENCE PLFDGIYTRI GAXXXXXXGK STFXVEXEEV ALILKEATEN SLVLLDEVGR DATA SEQUENCE GTSSLDGVAI ATAVAEALHE RRAYTLFATH YFELTALGLP RLKNLHVAAR DATA SEQUENCE EEAGGLVFYH QVLPGPASKS YGVEVAAXAG LPKEVVARAR ALLQA 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 1117 T HA 0.000 nan 4.350 nan 0.000 0.228 1117 T C 0.000 174.748 174.700 0.081 0.000 1.109 1117 T CA 0.000 62.169 62.100 0.116 0.000 1.349 1117 T CB 0.000 69.014 68.868 0.244 0.000 0.612 1118 P HA 0.055 nan 4.420 nan 0.000 0.229 1118 P C 1.313 178.639 177.300 0.043 0.000 1.150 1118 P CA 0.738 63.862 63.100 0.041 0.000 0.765 1118 P CB 0.130 31.851 31.700 0.035 0.000 0.783 1119 G N -1.609 107.237 108.800 0.076 0.000 2.921 1119 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.213 1119 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.213 1119 G C 1.045 175.993 174.900 0.080 0.000 1.143 1119 G CA 0.535 45.683 45.100 0.080 0.000 0.764 1119 G HN 0.345 nan 8.290 nan 0.000 0.542 1120 T N -0.997 113.609 114.554 0.087 0.000 3.044 1120 T HA 0.372 4.722 4.350 -0.000 0.000 0.260 1120 T C 0.833 175.546 174.700 0.022 0.000 1.019 1120 T CA -0.481 61.658 62.100 0.065 0.000 0.921 1120 T CB -0.148 68.769 68.868 0.083 0.000 1.053 1120 T HN 0.013 nan 8.240 nan 0.000 0.533 1121 L N 2.574 123.805 121.223 0.013 0.000 2.654 1121 L HA 0.157 4.497 4.340 -0.000 0.000 0.271 1121 L C 1.275 178.134 176.870 -0.019 0.000 1.169 1121 L CA -0.329 54.508 54.840 -0.005 0.000 0.947 1121 L CB 0.468 42.521 42.059 -0.010 0.000 1.232 1121 L HN 0.208 nan 8.230 nan 0.000 0.486 1122 L N 3.750 124.961 121.223 -0.020 0.000 2.590 1122 L HA 0.087 4.427 4.340 -0.000 0.000 0.227 1122 L C 1.124 177.978 176.870 -0.026 0.000 1.099 1122 L CA 0.471 55.295 54.840 -0.026 0.000 0.872 1122 L CB -0.101 41.944 42.059 -0.023 0.000 1.088 1122 L HN 0.622 nan 8.230 nan 0.000 0.479 1123 Q N 0.231 120.017 119.800 -0.023 0.000 2.281 1123 Q HA -0.017 4.323 4.340 -0.000 0.000 0.267 1123 Q C 0.356 176.340 176.000 -0.026 0.000 1.053 1123 Q CA 0.020 55.809 55.803 -0.022 0.000 0.905 1123 Q CB 0.608 29.335 28.738 -0.018 0.000 1.195 1123 Q HN 0.295 nan 8.270 nan 0.000 0.398 1124 E N 2.330 122.514 120.200 -0.026 0.000 2.448 1124 E HA -0.145 4.205 4.350 -0.000 0.000 0.203 1124 E C 0.741 177.324 176.600 -0.029 0.000 1.046 1124 E CA 1.241 57.623 56.400 -0.030 0.000 0.871 1124 E CB 0.266 29.950 29.700 -0.027 0.000 0.790 1124 E HN 0.757 nan 8.360 nan 0.000 0.545 1125 S N -0.930 114.755 115.700 -0.025 0.000 2.597 1125 S HA 0.162 4.632 4.470 -0.000 0.000 0.224 1125 S C 0.962 175.548 174.600 -0.023 0.000 0.955 1125 S CA -0.325 57.861 58.200 -0.023 0.000 0.933 1125 S CB 0.178 63.366 63.200 -0.020 0.000 0.788 1125 S HN 0.163 nan 8.310 nan 0.000 0.488 1126 L N 1.231 122.438 121.223 -0.027 0.000 3.313 1126 L HA 0.496 4.836 4.340 -0.000 0.000 0.339 1126 L C -1.278 175.570 176.870 -0.036 0.000 1.309 1126 L CA -0.021 54.803 54.840 -0.027 0.000 0.867 1126 L CB 0.642 42.688 42.059 -0.022 0.000 1.316 1126 L HN 0.251 nan 8.230 nan 0.000 0.604 1127 L N 1.462 122.660 121.223 -0.042 0.000 2.516 1127 L HA 0.524 4.864 4.340 -0.000 0.000 0.267 1127 L C -2.345 174.491 176.870 -0.057 0.000 0.957 1127 L CA -1.295 53.511 54.840 -0.056 0.000 0.860 1127 L CB 2.530 44.551 42.059 -0.064 0.000 1.265 1127 L HN -0.074 nan 8.230 nan 0.000 0.403 1128 P HA 0.249 nan 4.420 nan 0.000 0.274 1128 P C 0.075 177.335 177.300 -0.067 0.000 1.246 1128 P CA -0.575 62.489 63.100 -0.060 0.000 0.795 1128 P CB 1.072 32.732 31.700 -0.067 0.000 1.006 1129 R N -0.536 119.934 120.500 -0.050 0.000 2.261 1129 R HA -0.086 4.254 4.340 -0.000 0.000 0.236 1129 R C 0.818 177.074 176.300 -0.074 0.000 1.141 1129 R CA 1.071 57.141 56.100 -0.050 0.000 1.001 1129 R CB -0.524 29.761 30.300 -0.025 0.000 0.866 1129 R HN 0.617 nan 8.270 nan 0.000 0.468 1130 E N -0.215 119.926 120.200 -0.099 0.000 2.345 1130 E HA 0.419 4.769 4.350 -0.000 0.000 0.259 1130 E C -0.334 176.166 176.600 -0.167 0.000 1.117 1130 E CA -0.342 55.967 56.400 -0.153 0.000 0.913 1130 E CB 0.878 30.449 29.700 -0.215 0.000 1.057 1130 E HN 0.234 nan 8.360 nan 0.000 0.432 1131 A N 1.886 124.590 122.820 -0.193 0.000 2.287 1131 A HA 0.292 4.612 4.320 -0.000 0.000 0.273 1131 A C -0.124 177.257 177.584 -0.338 0.000 1.091 1131 A CA -0.328 51.538 52.037 -0.286 0.000 0.817 1131 A CB 0.494 19.307 19.000 -0.312 0.000 1.069 1131 A HN 0.587 nan 8.150 nan 0.000 0.492 1132 N N -1.071 117.312 118.700 -0.529 0.000 2.321 1132 N HA 0.614 5.354 4.740 -0.000 0.000 0.290 1132 N C -2.196 172.938 175.510 -0.628 0.000 1.212 1132 N CA -0.216 52.614 53.050 -0.366 0.000 0.767 1132 N CB 1.555 39.926 38.487 -0.194 0.000 1.494 1132 N HN 0.503 nan 8.380 nan 0.000 0.479 1133 Y N 0.375 120.697 120.300 0.037 0.000 2.504 1133 Y HA 0.439 4.989 4.550 -0.000 0.000 0.344 1133 Y C -0.604 175.394 175.900 0.164 0.000 1.023 1133 Y CA -0.912 57.269 58.100 0.134 0.000 1.020 1133 Y CB 1.865 40.457 38.460 0.221 0.000 1.282 1133 Y HN 0.328 nan 8.280 nan 0.000 0.454 1134 L N 3.114 124.527 121.223 0.316 0.000 2.280 1134 L HA 0.912 5.252 4.340 -0.000 0.000 0.287 1134 L C -0.628 176.339 176.870 0.162 0.000 1.023 1134 L CA -0.407 54.540 54.840 0.178 0.000 0.819 1134 L CB 0.574 42.708 42.059 0.125 0.000 1.212 1134 L HN 0.698 nan 8.230 nan 0.000 0.420 1135 A N 4.360 127.216 122.820 0.059 0.000 2.337 1135 A HA 0.969 5.289 4.320 -0.000 0.000 0.329 1135 A C -0.825 176.669 177.584 -0.150 0.000 1.146 1135 A CA -0.102 51.842 52.037 -0.156 0.000 0.800 1135 A CB 1.373 20.212 19.000 -0.267 0.000 1.220 1135 A HN 1.039 nan 8.150 nan 0.000 0.472 1136 A N 1.584 124.289 122.820 -0.191 0.000 2.386 1136 A HA 0.779 5.099 4.320 -0.000 0.000 0.311 1136 A C -0.922 176.649 177.584 -0.022 0.000 1.068 1136 A CA -0.401 51.610 52.037 -0.042 0.000 0.743 1136 A CB 0.832 19.771 19.000 -0.102 0.000 1.258 1136 A HN 0.750 nan 8.150 nan 0.000 0.429 1137 I N 1.839 122.439 120.570 0.050 0.000 2.439 1137 I HA 0.566 4.736 4.170 -0.000 0.000 0.283 1137 I C 0.243 176.205 176.117 -0.258 0.000 1.023 1137 I CA -0.278 60.940 61.300 -0.136 0.000 1.100 1137 I CB 1.737 39.572 38.000 -0.274 0.000 1.238 1137 I HN 0.729 nan 8.210 nan 0.000 0.445 1138 A N 4.112 126.801 122.820 -0.218 0.000 2.380 1138 A HA 0.891 5.211 4.320 -0.000 0.000 0.315 1138 A C -0.035 177.334 177.584 -0.357 0.000 1.101 1138 A CA -0.540 51.294 52.037 -0.339 0.000 0.771 1138 A CB 1.516 20.476 19.000 -0.066 0.000 1.287 1138 A HN 0.660 nan 8.150 nan 0.000 0.436 1139 T N -1.546 112.766 114.554 -0.404 0.000 2.944 1139 T HA 0.781 5.131 4.350 -0.000 0.000 0.284 1139 T C 0.244 174.861 174.700 -0.138 0.000 1.010 1139 T CA -0.243 61.653 62.100 -0.340 0.000 1.025 1139 T CB 1.523 70.134 68.868 -0.428 0.000 1.079 1139 T HN 2.437 nan 8.240 nan 0.000 0.516 1140 G N 1.044 109.825 108.800 -0.032 0.000 2.951 1140 G HA2 0.249 4.209 3.960 -0.000 0.000 0.508 1140 G HA3 0.249 4.209 3.960 -0.000 0.000 0.508 1140 G C -0.435 174.496 174.900 0.053 0.000 1.203 1140 G CA -0.388 44.715 45.100 0.006 0.000 1.209 1140 G HN 0.992 nan 8.290 nan 0.000 0.552 1141 D N -0.370 120.071 120.400 0.069 0.000 2.699 1141 D HA 0.090 4.730 4.640 -0.000 0.000 0.239 1141 D C 1.146 177.509 176.300 0.106 0.000 1.136 1141 D CA 3.199 57.242 54.000 0.071 0.000 0.668 1141 D CB -0.886 39.944 40.800 0.050 0.000 1.060 1141 D HN 2.352 nan 8.370 nan 0.000 0.429 1142 G N -0.896 108.002 108.800 0.163 0.000 2.373 1142 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.634 1142 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.634 1142 G C -1.640 173.521 174.900 0.434 0.000 1.267 1142 G CA -0.369 44.857 45.100 0.210 0.000 1.008 1142 G HN 0.071 nan 8.290 nan 0.000 0.497 1143 W N 1.199 122.499 121.300 -0.000 0.000 2.362 1143 W HA 0.618 5.278 4.660 -0.000 0.000 0.316 1143 W C 0.722 177.227 176.519 -0.022 0.000 1.024 1143 W CA -0.572 56.762 57.345 -0.019 0.000 1.270 1143 W CB 1.483 30.947 29.460 0.005 0.000 1.273 1143 W HN 1.139 nan 8.180 nan 0.000 0.424 1144 G N 4.470 113.306 108.800 0.061 0.000 2.354 1144 G HA2 0.378 4.338 3.960 -0.000 0.000 0.266 1144 G HA3 0.378 4.338 3.960 -0.000 0.000 0.266 1144 G C -1.013 173.869 174.900 -0.029 0.000 1.242 1144 G CA -0.350 44.758 45.100 0.013 0.000 0.923 1144 G HN 0.499 nan 8.290 nan 0.000 0.476 1145 L N 2.738 123.935 121.223 -0.044 0.000 2.342 1145 L HA 0.649 4.989 4.340 -0.000 0.000 0.276 1145 L C -0.027 176.725 176.870 -0.196 0.000 0.997 1145 L CA -0.810 53.946 54.840 -0.140 0.000 0.838 1145 L CB 1.593 43.625 42.059 -0.046 0.000 1.224 1145 L HN 0.586 nan 8.230 nan 0.000 0.416 1146 A N 5.084 127.726 122.820 -0.297 0.000 2.304 1146 A HA 0.700 5.020 4.320 -0.000 0.000 0.314 1146 A C -1.384 175.999 177.584 -0.335 0.000 1.187 1146 A CA -0.294 51.611 52.037 -0.219 0.000 0.810 1146 A CB 0.511 19.425 19.000 -0.142 0.000 1.183 1146 A HN 0.602 nan 8.150 nan 0.000 0.487 1147 F N 2.211 122.159 119.950 -0.003 0.000 2.444 1147 F HA 0.650 5.177 4.527 -0.000 0.000 0.342 1147 F C -0.081 175.853 175.800 0.223 0.000 1.121 1147 F CA -0.543 57.488 58.000 0.052 0.000 0.997 1147 F CB 1.929 40.787 39.000 -0.237 0.000 1.130 1147 F HN 0.599 nan 8.300 nan 0.000 0.454 1148 L N 3.212 124.756 121.223 0.534 0.000 2.434 1148 L HA 0.658 4.998 4.340 -0.000 0.000 0.260 1148 L C -2.025 175.019 176.870 0.291 0.000 0.983 1148 L CA -0.498 54.636 54.840 0.491 0.000 0.820 1148 L CB 2.349 44.739 42.059 0.552 0.000 1.361 1148 L HN 0.524 nan 8.230 nan 0.000 0.410 1149 D N 2.347 122.829 120.400 0.135 0.000 2.542 1149 D HA 0.294 4.934 4.640 -0.000 0.000 0.252 1149 D C 0.839 177.127 176.300 -0.020 0.000 1.222 1149 D CA -0.242 53.727 54.000 -0.052 0.000 0.895 1149 D CB 1.933 42.543 40.800 -0.316 0.000 1.207 1149 D HN 0.433 nan 8.370 nan 0.000 0.558 1150 V N 2.242 122.151 119.914 -0.008 0.000 2.282 1150 V HA -0.213 3.907 4.120 -0.000 0.000 0.249 1150 V C 2.108 178.180 176.094 -0.036 0.000 1.057 1150 V CA 2.107 64.397 62.300 -0.017 0.000 1.032 1150 V CB -1.279 30.537 31.823 -0.011 0.000 0.645 1150 V HN 0.533 nan 8.190 nan 0.000 0.447 1151 S N 1.724 117.392 115.700 -0.054 0.000 2.427 1151 S HA -0.296 4.174 4.470 -0.000 0.000 0.231 1151 S C 2.045 176.610 174.600 -0.057 0.000 1.045 1151 S CA 3.441 61.604 58.200 -0.061 0.000 1.154 1151 S CB -1.120 62.028 63.200 -0.086 0.000 1.093 1151 S HN 1.012 nan 8.310 nan 0.000 0.422 1152 T N -1.798 112.713 114.554 -0.072 0.000 3.148 1152 T HA 0.371 4.721 4.350 -0.000 0.000 0.253 1152 T C 1.492 176.180 174.700 -0.019 0.000 1.134 1152 T CA 0.947 63.016 62.100 -0.051 0.000 1.051 1152 T CB -0.467 68.360 68.868 -0.068 0.000 0.959 1152 T HN 1.128 nan 8.240 nan 0.000 0.525 1153 G N 1.747 110.538 108.800 -0.015 0.000 2.258 1153 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.274 1153 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.274 1153 G C -0.188 174.754 174.900 0.070 0.000 1.021 1153 G CA 0.394 45.498 45.100 0.007 0.000 0.798 1153 G HN 0.842 nan 8.290 nan 0.000 0.507 1154 E N -0.582 119.669 120.200 0.084 0.000 2.324 1154 E HA 0.458 4.808 4.350 -0.000 0.000 0.271 1154 E C -0.812 175.991 176.600 0.339 0.000 1.028 1154 E CA -0.681 55.814 56.400 0.157 0.000 0.890 1154 E CB 0.144 29.905 29.700 0.102 0.000 1.004 1154 E HN 0.114 nan 8.360 nan 0.000 0.431 1155 F N 5.624 125.640 119.950 0.110 0.000 2.500 1155 F HA 0.351 4.878 4.527 -0.000 0.000 0.349 1155 F C -1.012 174.835 175.800 0.078 0.000 1.127 1155 F CA -0.752 57.358 58.000 0.183 0.000 0.998 1155 F CB 0.876 40.020 39.000 0.241 0.000 1.237 1155 F HN 0.400 nan 8.300 nan 0.000 0.439 1156 K N 3.865 124.176 120.400 -0.149 0.000 2.542 1156 K HA 0.912 5.232 4.320 -0.000 0.000 0.259 1156 K C -1.197 175.312 176.600 -0.152 0.000 0.932 1156 K CA -1.059 54.970 56.287 -0.430 0.000 0.820 1156 K CB 2.118 34.473 32.500 -0.242 0.000 1.345 1156 K HN 0.678 nan 8.250 nan 0.000 0.432 1157 G N 0.098 108.785 108.800 -0.189 0.000 2.788 1157 G HA2 0.744 4.704 3.960 -0.000 0.000 0.293 1157 G HA3 0.744 4.704 3.960 -0.000 0.000 0.293 1157 G C -1.501 173.281 174.900 -0.198 0.000 1.392 1157 G CA -0.603 44.547 45.100 0.084 0.000 0.810 1157 G HN 0.646 nan 8.290 nan 0.000 0.508 1158 T N -1.913 112.482 114.554 -0.264 0.000 2.775 1158 T HA 0.463 4.813 4.350 -0.000 0.000 0.320 1158 T C -1.857 172.697 174.700 -0.243 0.000 1.597 1158 T CA -0.268 61.447 62.100 -0.642 0.000 1.022 1158 T CB 1.603 69.911 68.868 -0.934 0.000 1.485 1158 T HN 0.812 nan 8.240 nan 0.000 0.494 1159 V N 3.834 123.669 119.914 -0.132 0.000 2.378 1159 V HA 0.624 4.744 4.120 -0.000 0.000 0.288 1159 V C -0.758 175.389 176.094 0.087 0.000 1.016 1159 V CA -0.641 61.708 62.300 0.081 0.000 0.840 1159 V CB 0.955 32.896 31.823 0.196 0.000 0.994 1159 V HN 0.663 nan 8.190 nan 0.000 0.431 1160 L N 5.091 126.388 121.223 0.124 0.000 2.330 1160 L HA 0.613 4.953 4.340 -0.000 0.000 0.271 1160 L C 0.858 177.752 176.870 0.041 0.000 1.013 1160 L CA -0.457 54.436 54.840 0.089 0.000 0.816 1160 L CB 1.602 43.727 42.059 0.110 0.000 1.287 1160 L HN 0.557 nan 8.230 nan 0.000 0.435 1161 K N -0.624 119.751 120.400 -0.041 0.000 2.141 1161 K HA 0.136 4.456 4.320 -0.000 0.000 0.202 1161 K C 0.481 176.900 176.600 -0.301 0.000 1.045 1161 K CA 0.542 56.747 56.287 -0.136 0.000 0.971 1161 K CB -0.512 31.947 32.500 -0.070 0.000 0.795 1161 K HN 0.486 nan 8.250 nan 0.000 0.459 1162 S N 1.698 117.275 115.700 -0.205 0.000 2.448 1162 S HA 0.205 4.675 4.470 -0.000 0.000 0.279 1162 S C 0.855 175.276 174.600 -0.299 0.000 1.195 1162 S CA -0.743 57.313 58.200 -0.240 0.000 1.051 1162 S CB 1.387 64.520 63.200 -0.112 0.000 0.948 1162 S HN 0.314 nan 8.310 nan 0.000 0.493 1163 K N 3.264 123.349 120.400 -0.524 0.000 2.218 1163 K HA -0.171 4.149 4.320 -0.000 0.000 0.205 1163 K C 1.756 178.284 176.600 -0.120 0.000 1.046 1163 K CA 1.729 57.734 56.287 -0.470 0.000 0.933 1163 K CB -0.365 31.829 32.500 -0.510 0.000 0.728 1163 K HN 0.619 nan 8.250 nan 0.000 0.454 1164 S N 0.444 116.062 115.700 -0.136 0.000 2.338 1164 S HA -0.115 4.355 4.470 -0.000 0.000 0.218 1164 S C 2.086 176.722 174.600 0.060 0.000 1.032 1164 S CA 1.137 59.300 58.200 -0.061 0.000 0.999 1164 S CB -0.401 62.761 63.200 -0.064 0.000 0.905 1164 S HN 0.563 nan 8.310 nan 0.000 0.439 1165 A N 1.300 124.153 122.820 0.055 0.000 1.972 1165 A HA -0.039 4.281 4.320 -0.000 0.000 0.219 1165 A C 2.084 179.789 177.584 0.201 0.000 1.169 1165 A CA 1.335 53.440 52.037 0.114 0.000 0.635 1165 A CB -0.714 18.334 19.000 0.080 0.000 0.810 1165 A HN 0.413 nan 8.150 nan 0.000 0.446 1166 L N -1.464 119.905 121.223 0.242 0.000 1.925 1166 L HA -0.171 4.169 4.340 -0.000 0.000 0.215 1166 L C 2.249 179.387 176.870 0.447 0.000 1.082 1166 L CA 2.222 57.287 54.840 0.374 0.000 0.764 1166 L CB -0.939 41.450 42.059 0.549 0.000 0.887 1166 L HN 0.397 nan 8.230 nan 0.000 0.432 1167 Y N 0.394 120.861 120.300 0.278 0.000 2.264 1167 Y HA -0.337 4.213 4.550 -0.000 0.000 0.282 1167 Y C 2.365 178.433 175.900 0.280 0.000 1.204 1167 Y CA 1.853 60.133 58.100 0.301 0.000 1.228 1167 Y CB -1.047 37.558 38.460 0.242 0.000 0.971 1167 Y HN 0.489 nan 8.280 nan 0.000 0.538 1168 D N -0.778 119.850 120.400 0.380 0.000 2.091 1168 D HA -0.110 4.530 4.640 -0.000 0.000 0.199 1168 D C 2.088 178.574 176.300 0.309 0.000 0.980 1168 D CA 1.155 55.329 54.000 0.290 0.000 0.831 1168 D CB 0.039 40.952 40.800 0.188 0.000 0.987 1168 D HN 0.111 nan 8.370 nan 0.000 0.460 1169 E N 0.352 120.740 120.200 0.313 0.000 2.153 1169 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 1169 E C 2.026 178.861 176.600 0.392 0.000 0.988 1169 E CA 0.187 56.794 56.400 0.345 0.000 0.811 1169 E CB -0.252 29.735 29.700 0.478 0.000 0.746 1169 E HN 0.285 nan 8.360 nan 0.000 0.466 1170 L N 0.084 121.581 121.223 0.458 0.000 2.141 1170 L HA -0.099 4.241 4.340 -0.000 0.000 0.209 1170 L C 1.996 179.074 176.870 0.346 0.000 1.094 1170 L CA 1.308 56.462 54.840 0.523 0.000 0.763 1170 L CB -0.691 41.602 42.059 0.390 0.000 0.908 1170 L HN 0.040 nan 8.230 nan 0.000 0.437 1171 F N 0.771 120.809 119.950 0.147 0.000 2.293 1171 F HA -0.062 4.465 4.527 -0.000 0.000 0.297 1171 F C 2.595 178.374 175.800 -0.036 0.000 1.089 1171 F CA 0.949 58.990 58.000 0.068 0.000 1.377 1171 F CB -0.105 38.943 39.000 0.081 0.000 1.051 1171 F HN -0.019 nan 8.300 nan 0.000 0.511 1172 R N -0.849 119.570 120.500 -0.135 0.000 2.075 1172 R HA -0.103 4.237 4.340 -0.000 0.000 0.232 1172 R C 1.665 177.614 176.300 -0.586 0.000 1.126 1172 R CA 1.371 57.230 56.100 -0.401 0.000 0.963 1172 R CB -0.618 29.357 30.300 -0.542 0.000 0.858 1172 R HN 0.366 nan 8.270 nan 0.000 0.435 1173 H N 0.822 119.631 119.070 -0.436 0.000 2.547 1173 H HA 0.160 4.716 4.556 -0.000 0.000 0.266 1173 H C 0.046 175.133 175.328 -0.403 0.000 0.988 1173 H CA 0.043 55.675 56.048 -0.693 0.000 1.147 1173 H CB 0.091 28.901 29.762 -1.586 0.000 1.365 1173 H HN 0.018 nan 8.280 nan 0.000 0.589 1174 R N 1.584 121.968 120.500 -0.194 0.000 2.247 1174 R HA -0.127 4.213 4.340 -0.000 0.000 0.214 1174 R C -2.305 174.024 176.300 0.048 0.000 0.709 1174 R CA 0.067 56.106 56.100 -0.102 0.000 0.482 1174 R CB -1.502 28.667 30.300 -0.219 0.000 1.360 1174 R HN 0.432 nan 8.270 nan 0.000 0.542 1175 P HA 0.068 nan 4.420 nan 0.000 0.271 1175 P C 0.226 177.613 177.300 0.144 0.000 1.218 1175 P CA 0.003 63.269 63.100 0.277 0.000 0.780 1175 P CB 1.106 33.088 31.700 0.469 0.000 0.901 1176 A N 1.979 124.867 122.820 0.114 0.000 2.132 1176 A HA 0.040 4.360 4.320 -0.000 0.000 0.213 1176 A C 0.880 178.497 177.584 0.055 0.000 1.154 1176 A CA 0.755 52.827 52.037 0.058 0.000 0.753 1176 A CB -0.281 18.741 19.000 0.037 0.000 0.826 1176 A HN 0.684 nan 8.150 nan 0.000 0.469 1177 E N -0.243 120.001 120.200 0.075 0.000 2.287 1177 E HA 0.496 4.846 4.350 -0.000 0.000 0.274 1177 E C -1.941 174.678 176.600 0.031 0.000 0.896 1177 E CA -0.376 56.051 56.400 0.044 0.000 0.788 1177 E CB 2.112 31.836 29.700 0.040 0.000 1.244 1177 E HN -0.006 nan 8.360 nan 0.000 0.408 1178 V N 5.482 125.420 119.914 0.040 0.000 2.435 1178 V HA 0.405 4.525 4.120 -0.000 0.000 0.290 1178 V C -0.195 175.918 176.094 0.031 0.000 1.030 1178 V CA -0.676 61.663 62.300 0.066 0.000 0.881 1178 V CB 1.481 33.436 31.823 0.220 0.000 0.983 1178 V HN 0.615 nan 8.190 nan 0.000 0.445 1179 L N 6.065 127.287 121.223 -0.003 0.000 2.277 1179 L HA 0.523 4.863 4.340 -0.000 0.000 0.284 1179 L C -0.455 176.578 176.870 0.271 0.000 1.028 1179 L CA -0.218 54.656 54.840 0.055 0.000 0.835 1179 L CB 1.051 43.030 42.059 -0.133 0.000 1.215 1179 L HN 0.400 nan 8.230 nan 0.000 0.425 1180 L N 2.700 124.020 121.223 0.161 0.000 2.357 1180 L HA 0.586 4.926 4.340 -0.000 0.000 0.273 1180 L C 0.828 177.506 176.870 -0.319 0.000 1.080 1180 L CA -0.380 54.430 54.840 -0.050 0.000 0.803 1180 L CB 1.594 43.636 42.059 -0.028 0.000 1.174 1180 L HN 0.670 nan 8.230 nan 0.000 0.443 1181 A N 4.479 126.793 122.820 -0.844 0.000 2.346 1181 A HA 0.318 4.638 4.320 -0.000 0.000 0.252 1181 A C -1.434 175.828 177.584 -0.536 0.000 1.089 1181 A CA -1.060 50.245 52.037 -1.220 0.000 0.797 1181 A CB -0.237 18.075 19.000 -1.147 0.000 1.047 1181 A HN 0.656 nan 8.150 nan 0.000 0.494 1182 P HA -0.180 nan 4.420 nan 0.000 0.218 1182 P C 0.545 177.731 177.300 -0.191 0.000 1.148 1182 P CA 1.565 64.550 63.100 -0.191 0.000 0.822 1182 P CB 0.125 31.754 31.700 -0.120 0.000 0.784 1183 E N 0.323 120.364 120.200 -0.264 0.000 2.077 1183 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 1183 E C 2.217 178.659 176.600 -0.264 0.000 0.989 1183 E CA 1.038 57.291 56.400 -0.245 0.000 0.800 1183 E CB -1.156 28.367 29.700 -0.295 0.000 0.746 1183 E HN 0.295 nan 8.360 nan 0.000 0.452 1184 L N -0.008 121.001 121.223 -0.357 0.000 2.131 1184 L HA -0.035 4.305 4.340 -0.000 0.000 0.206 1184 L C 2.258 179.121 176.870 -0.012 0.000 1.087 1184 L CA 0.605 55.250 54.840 -0.325 0.000 0.767 1184 L CB -0.441 41.334 42.059 -0.472 0.000 0.917 1184 L HN 0.096 nan 8.230 nan 0.000 0.441 1185 L N -0.122 121.070 121.223 -0.051 0.000 2.017 1185 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 1185 L C 2.556 179.442 176.870 0.026 0.000 1.073 1185 L CA 1.427 56.277 54.840 0.017 0.000 0.745 1185 L CB -0.557 41.498 42.059 -0.006 0.000 0.894 1185 L HN 0.283 nan 8.230 nan 0.000 0.432 1186 E N -0.256 119.937 120.200 -0.010 0.000 2.110 1186 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 1186 E C 0.999 177.612 176.600 0.022 0.000 0.988 1186 E CA 0.314 56.714 56.400 -0.000 0.000 0.804 1186 E CB -0.227 29.459 29.700 -0.024 0.000 0.745 1186 E HN 0.289 nan 8.360 nan 0.000 0.458 1187 N N 1.552 120.266 118.700 0.024 0.000 2.598 1187 N HA -0.053 4.687 4.740 -0.000 0.000 0.300 1187 N C 0.826 176.416 175.510 0.133 0.000 1.224 1187 N CA 0.171 53.263 53.050 0.071 0.000 1.125 1187 N CB 0.321 38.841 38.487 0.056 0.000 1.468 1187 N HN 0.202 nan 8.380 nan 0.000 0.504 1188 G N 1.636 110.491 108.800 0.091 0.000 2.485 1188 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.221 1188 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.221 1188 G C 1.444 176.406 174.900 0.104 0.000 1.115 1188 G CA 0.947 46.100 45.100 0.089 0.000 0.751 1188 G HN 0.600 nan 8.290 nan 0.000 0.567 1189 A N 0.374 123.265 122.820 0.119 0.000 1.873 1189 A HA 0.121 4.441 4.320 -0.000 0.000 0.215 1189 A C 2.158 179.843 177.584 0.169 0.000 1.186 1189 A CA 1.504 53.615 52.037 0.123 0.000 0.616 1189 A CB -0.502 18.569 19.000 0.118 0.000 0.823 1189 A HN 0.433 nan 8.150 nan 0.000 0.442 1190 F N -0.068 119.921 119.950 0.066 0.000 2.259 1190 F HA -0.040 4.487 4.527 -0.000 0.000 0.298 1190 F C 1.766 177.640 175.800 0.123 0.000 1.088 1190 F CA 1.283 59.338 58.000 0.092 0.000 1.358 1190 F CB -0.130 38.894 39.000 0.041 0.000 1.040 1190 F HN 0.194 nan 8.300 nan 0.000 0.505 1191 L N 0.805 122.138 121.223 0.183 0.000 1.994 1191 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 1191 L C 1.976 178.884 176.870 0.064 0.000 1.071 1191 L CA 2.117 57.031 54.840 0.124 0.000 0.745 1191 L CB -1.159 40.984 42.059 0.140 0.000 0.892 1191 L HN 0.083 nan 8.230 nan 0.000 0.431 1192 D N -0.822 119.612 120.400 0.056 0.000 2.219 1192 D HA -0.193 4.447 4.640 -0.000 0.000 0.205 1192 D C 1.971 178.288 176.300 0.028 0.000 0.970 1192 D CA 1.025 55.049 54.000 0.040 0.000 0.851 1192 D CB 0.126 40.950 40.800 0.041 0.000 0.943 1192 D HN 0.592 nan 8.370 nan 0.000 0.488 1193 E N -0.144 120.066 120.200 0.016 0.000 2.076 1193 E HA -0.141 4.209 4.350 -0.000 0.000 0.190 1193 E C 1.868 178.522 176.600 0.091 0.000 0.979 1193 E CA 0.280 56.696 56.400 0.027 0.000 0.807 1193 E CB -0.086 29.616 29.700 0.004 0.000 0.761 1193 E HN 0.105 nan 8.360 nan 0.000 0.454 1194 F N 2.255 122.100 119.950 -0.175 0.000 2.234 1194 F HA -0.042 4.485 4.527 -0.000 0.000 0.299 1194 F C 2.140 177.905 175.800 -0.058 0.000 1.087 1194 F CA 1.132 59.047 58.000 -0.141 0.000 1.340 1194 F CB -0.012 38.776 39.000 -0.352 0.000 1.031 1194 F HN -0.064 nan 8.300 nan 0.000 0.500 1195 R N 0.151 120.629 120.500 -0.037 0.000 2.236 1195 R HA 0.002 4.342 4.340 -0.000 0.000 0.208 1195 R C 0.767 177.026 176.300 -0.069 0.000 1.036 1195 R CA 0.453 56.495 56.100 -0.096 0.000 1.001 1195 R CB -0.051 30.235 30.300 -0.024 0.000 0.896 1195 R HN 0.138 nan 8.270 nan 0.000 0.464 1203 S N 0.825 116.555 115.700 0.050 0.000 2.473 1203 S HA 0.567 5.037 4.470 -0.000 0.000 0.307 1203 S C -0.546 174.134 174.600 0.133 0.000 1.094 1203 S CA -0.908 57.364 58.200 0.119 0.000 1.070 1203 S CB 1.989 65.337 63.200 0.246 0.000 1.019 1203 S HN 0.511 nan 8.310 nan 0.000 0.480 1204 E N 1.494 121.797 120.200 0.172 0.000 2.376 1204 E HA 0.476 4.826 4.350 -0.000 0.000 0.266 1204 E C -0.227 176.513 176.600 0.232 0.000 1.009 1204 E CA -0.120 56.385 56.400 0.176 0.000 0.902 1204 E CB 0.703 30.481 29.700 0.131 0.000 0.972 1204 E HN 0.659 nan 8.360 nan 0.000 0.439 1205 A N 4.427 127.378 122.820 0.218 0.000 2.605 1205 A HA 0.464 4.784 4.320 -0.000 0.000 0.294 1205 A C -2.681 175.000 177.584 0.162 0.000 1.062 1205 A CA -1.288 50.861 52.037 0.187 0.000 0.682 1205 A CB 1.445 20.593 19.000 0.246 0.000 1.278 1205 A HN 0.436 nan 8.150 nan 0.000 0.410 1206 P HA 0.437 nan 4.420 nan 0.000 0.281 1206 P C -1.073 176.268 177.300 0.067 0.000 1.252 1206 P CA 0.087 63.273 63.100 0.144 0.000 0.778 1206 P CB 0.285 32.033 31.700 0.080 0.000 0.895 1207 F N 2.076 122.018 119.950 -0.014 0.000 2.509 1207 F HA 0.181 4.708 4.527 -0.000 0.000 0.344 1207 F C 1.013 176.797 175.800 -0.026 0.000 1.197 1207 F CA -0.228 57.755 58.000 -0.029 0.000 1.294 1207 F CB 0.113 39.078 39.000 -0.058 0.000 1.643 1207 F HN 0.098 nan 8.300 nan 0.000 0.596 1208 E N 4.017 124.262 120.200 0.074 0.000 2.052 1208 E HA 0.160 4.510 4.350 -0.000 0.000 0.283 1208 E C -2.250 174.366 176.600 0.027 0.000 1.071 1208 E CA -2.535 53.894 56.400 0.047 0.000 0.851 1208 E CB 0.378 30.091 29.700 0.023 0.000 1.066 1208 E HN 0.210 nan 8.360 nan 0.000 0.396 1209 P HA -0.142 nan 4.420 nan 0.000 0.249 1209 P C 0.050 177.350 177.300 0.000 0.000 1.140 1209 P CA 0.740 63.849 63.100 0.015 0.000 0.803 1209 P CB 0.644 32.353 31.700 0.015 0.000 0.745 1210 E N 2.837 123.029 120.200 -0.013 0.000 2.221 1210 E HA 0.497 4.847 4.350 -0.000 0.000 0.268 1210 E C 0.649 177.232 176.600 -0.028 0.000 0.933 1210 E CA 0.020 56.411 56.400 -0.015 0.000 0.809 1210 E CB 2.049 31.741 29.700 -0.012 0.000 1.190 1210 E HN 0.618 nan 8.360 nan 0.000 0.406 1211 G N 2.681 111.472 108.800 -0.014 0.000 2.645 1211 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.246 1211 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.246 1211 G C -0.674 174.219 174.900 -0.011 0.000 1.322 1211 G CA 0.359 45.451 45.100 -0.013 0.000 0.898 1211 G HN 0.718 nan 8.290 nan 0.000 0.573 1212 E N -0.638 119.561 120.200 -0.003 0.000 2.256 1212 E HA 0.769 5.119 4.350 -0.000 0.000 0.267 1212 E C 0.288 176.896 176.600 0.014 0.000 0.892 1212 E CA -0.527 55.877 56.400 0.008 0.000 0.775 1212 E CB 2.065 31.776 29.700 0.018 0.000 1.207 1212 E HN 2.408 nan 8.360 nan 0.000 0.420 1213 G N 1.290 110.100 108.800 0.017 0.000 2.359 1213 G HA2 0.069 4.029 3.960 -0.000 0.000 0.303 1213 G HA3 0.069 4.029 3.960 -0.000 0.000 0.303 1213 G C -2.894 172.031 174.900 0.041 0.000 1.293 1213 G CA -1.070 44.051 45.100 0.036 0.000 0.964 1213 G HN 0.499 nan 8.290 nan 0.000 0.531 1214 P HA 0.097 nan 4.420 nan 0.000 0.260 1214 P C 1.630 178.964 177.300 0.057 0.000 1.172 1214 P CA -0.450 62.693 63.100 0.072 0.000 0.760 1214 P CB 0.533 32.308 31.700 0.125 0.000 0.773 1215 L N 4.760 126.005 121.223 0.037 0.000 1.987 1215 L HA -0.334 4.006 4.340 -0.000 0.000 0.230 1215 L C 1.823 178.706 176.870 0.022 0.000 1.089 1215 L CA 2.962 57.815 54.840 0.022 0.000 0.802 1215 L CB -1.612 40.455 42.059 0.013 0.000 0.905 1215 L HN 0.467 nan 8.230 nan 0.000 0.441 1216 A N -0.856 121.978 122.820 0.023 0.000 2.245 1216 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 1216 A C 2.214 179.811 177.584 0.021 0.000 1.171 1216 A CA 1.792 53.832 52.037 0.004 0.000 0.688 1216 A CB -0.611 18.395 19.000 0.009 0.000 0.781 1216 A HN 0.695 nan 8.150 nan 0.000 0.479 1217 L N -1.535 119.711 121.223 0.038 0.000 2.189 1217 L HA 0.070 4.410 4.340 -0.000 0.000 0.199 1217 L C 2.426 179.271 176.870 -0.042 0.000 1.074 1217 L CA 0.724 55.577 54.840 0.021 0.000 0.783 1217 L CB -0.255 41.861 42.059 0.095 0.000 0.955 1217 L HN 0.258 nan 8.230 nan 0.000 0.460 1218 R N -0.211 120.268 120.500 -0.036 0.000 2.148 1218 R HA -0.080 4.260 4.340 -0.000 0.000 0.227 1218 R C 2.297 178.587 176.300 -0.017 0.000 1.103 1218 R CA 1.121 57.183 56.100 -0.063 0.000 0.983 1218 R CB -0.297 29.981 30.300 -0.036 0.000 0.874 1218 R HN 0.433 nan 8.270 nan 0.000 0.451 1219 R N 0.555 121.080 120.500 0.042 0.000 2.066 1219 R HA -0.028 4.312 4.340 -0.000 0.000 0.232 1219 R C 2.350 178.791 176.300 0.236 0.000 1.131 1219 R CA 1.479 57.667 56.100 0.147 0.000 0.955 1219 R CB -0.300 30.093 30.300 0.155 0.000 0.851 1219 R HN 0.188 nan 8.270 nan 0.000 0.432 1220 A N 1.081 124.037 122.820 0.225 0.000 1.929 1220 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 1220 A C 2.125 179.651 177.584 -0.096 0.000 1.176 1220 A CA 1.049 53.180 52.037 0.156 0.000 0.628 1220 A CB -0.369 18.714 19.000 0.138 0.000 0.816 1220 A HN 0.225 nan 8.150 nan 0.000 0.444 1221 R N -0.301 120.142 120.500 -0.096 0.000 2.082 1221 R HA -0.119 4.221 4.340 -0.000 0.000 0.234 1221 R C 2.227 178.525 176.300 -0.003 0.000 1.136 1221 R CA 2.039 58.060 56.100 -0.131 0.000 0.935 1221 R CB -0.900 29.204 30.300 -0.327 0.000 0.842 1221 R HN 0.382 nan 8.270 nan 0.000 0.430 1222 G N -0.286 108.487 108.800 -0.044 0.000 2.432 1222 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.219 1222 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.219 1222 G C 1.562 176.394 174.900 -0.112 0.000 1.135 1222 G CA 0.711 45.791 45.100 -0.033 0.000 0.767 1222 G HN 0.532 nan 8.290 nan 0.000 0.550 1223 A N 0.530 123.174 122.820 -0.294 0.000 1.986 1223 A HA -0.020 4.300 4.320 -0.000 0.000 0.220 1223 A C 2.403 179.800 177.584 -0.311 0.000 1.171 1223 A CA 1.455 53.135 52.037 -0.596 0.000 0.640 1223 A CB -0.310 17.724 19.000 -1.609 0.000 0.811 1223 A HN 0.405 nan 8.150 nan 0.000 0.451 1224 L N -0.998 120.140 121.223 -0.142 0.000 2.007 1224 L HA -0.119 4.221 4.340 -0.000 0.000 0.205 1224 L C 2.551 179.467 176.870 0.077 0.000 1.073 1224 L CA 0.960 55.812 54.840 0.019 0.000 0.744 1224 L CB -0.830 41.340 42.059 0.185 0.000 0.898 1224 L HN 0.359 nan 8.230 nan 0.000 0.435 1225 L N 0.505 121.762 121.223 0.056 0.000 1.965 1225 L HA -0.302 4.038 4.340 -0.000 0.000 0.226 1225 L C 2.790 179.656 176.870 -0.007 0.000 1.083 1225 L CA 1.728 56.559 54.840 -0.014 0.000 0.790 1225 L CB -1.043 41.000 42.059 -0.027 0.000 0.898 1225 L HN 0.296 nan 8.230 nan 0.000 0.439 1226 A N -1.962 120.853 122.820 -0.009 0.000 2.178 1226 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 1226 A C 2.068 179.666 177.584 0.023 0.000 1.157 1226 A CA 1.420 53.452 52.037 -0.009 0.000 0.689 1226 A CB -0.733 18.256 19.000 -0.020 0.000 0.787 1226 A HN 0.587 nan 8.150 nan 0.000 0.465 1227 Y N -0.962 119.291 120.300 -0.080 0.000 2.479 1227 Y HA 0.316 4.866 4.550 -0.000 0.000 0.283 1227 Y C 2.443 178.318 175.900 -0.042 0.000 1.109 1227 Y CA 0.632 58.694 58.100 -0.062 0.000 1.239 1227 Y CB -0.031 38.383 38.460 -0.075 0.000 1.108 1227 Y HN 0.270 nan 8.280 nan 0.000 0.548 1228 A N 0.062 122.958 122.820 0.128 0.000 1.898 1228 A HA -0.126 4.194 4.320 -0.000 0.000 0.214 1228 A C 1.946 179.508 177.584 -0.038 0.000 1.183 1228 A CA 1.406 53.476 52.037 0.054 0.000 0.622 1228 A CB -0.537 18.492 19.000 0.049 0.000 0.824 1228 A HN 0.562 nan 8.150 nan 0.000 0.444 1229 Q N -0.955 118.818 119.800 -0.044 0.000 2.291 1229 Q HA -0.083 4.257 4.340 -0.000 0.000 0.206 1229 Q C 2.131 178.083 176.000 -0.080 0.000 0.976 1229 Q CA 0.987 56.754 55.803 -0.060 0.000 0.875 1229 Q CB -0.087 28.619 28.738 -0.054 0.000 0.927 1229 Q HN 0.435 nan 8.270 nan 0.000 0.450 1230 R N 0.591 121.021 120.500 -0.117 0.000 2.276 1230 R HA -0.018 4.322 4.340 -0.000 0.000 0.196 1230 R C 0.834 177.020 176.300 -0.191 0.000 0.961 1230 R CA 1.257 57.264 56.100 -0.154 0.000 1.024 1230 R CB 0.456 30.638 30.300 -0.196 0.000 0.940 1230 R HN 0.266 nan 8.270 nan 0.000 0.480 1231 T N -2.703 111.735 114.554 -0.194 0.000 3.296 1231 T HA 0.232 4.582 4.350 -0.000 0.000 0.285 1231 T C 0.828 175.475 174.700 -0.087 0.000 1.014 1231 T CA -0.456 61.544 62.100 -0.166 0.000 0.920 1231 T CB 0.769 69.511 68.868 -0.211 0.000 1.143 1231 T HN -0.127 nan 8.240 nan 0.000 0.522 1232 Q N 0.205 119.959 119.800 -0.075 0.000 2.113 1232 Q HA 0.290 4.630 4.340 -0.000 0.000 0.225 1232 Q C 1.642 177.613 176.000 -0.049 0.000 0.786 1232 Q CA 0.855 56.627 55.803 -0.052 0.000 0.989 1232 Q CB 0.775 29.484 28.738 -0.048 0.000 1.174 1232 Q HN 0.720 nan 8.270 nan 0.000 0.470 1233 G N 0.226 108.993 108.800 -0.055 0.000 2.228 1233 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.270 1233 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.270 1233 G C 0.494 175.370 174.900 -0.041 0.000 0.976 1233 G CA 0.972 46.045 45.100 -0.046 0.000 0.636 1233 G HN 0.722 nan 8.290 nan 0.000 0.542 1234 G N -1.246 107.528 108.800 -0.043 0.000 2.694 1234 G HA2 0.773 4.733 3.960 -0.000 0.000 0.246 1234 G HA3 0.773 4.733 3.960 -0.000 0.000 0.246 1234 G C 0.006 174.880 174.900 -0.044 0.000 1.205 1234 G CA 0.839 45.915 45.100 -0.040 0.000 0.891 1234 G HN 1.567 nan 8.290 nan 0.000 0.515 1235 A N -0.971 121.824 122.820 -0.042 0.000 2.280 1235 A HA 0.788 5.108 4.320 -0.000 0.000 0.268 1235 A C -0.190 177.361 177.584 -0.055 0.000 1.111 1235 A CA -0.054 51.954 52.037 -0.049 0.000 0.814 1235 A CB 0.121 19.095 19.000 -0.044 0.000 1.093 1235 A HN 0.728 nan 8.150 nan 0.000 0.498 1236 L N -0.331 120.849 121.223 -0.071 0.000 2.303 1236 L HA 0.583 4.923 4.340 -0.000 0.000 0.266 1236 L C 0.332 177.153 176.870 -0.083 0.000 1.011 1236 L CA -0.568 54.223 54.840 -0.082 0.000 0.818 1236 L CB 2.038 44.028 42.059 -0.115 0.000 1.326 1236 L HN 0.588 nan 8.230 nan 0.000 0.435 1237 S N 1.889 117.544 115.700 -0.075 0.000 2.532 1237 S HA 0.652 5.122 4.470 -0.000 0.000 0.318 1237 S C -0.698 173.859 174.600 -0.073 0.000 1.083 1237 S CA -0.563 57.600 58.200 -0.061 0.000 1.131 1237 S CB -0.117 63.059 63.200 -0.041 0.000 0.973 1237 S HN 0.406 nan 8.310 nan 0.000 0.468 1238 L N 3.815 124.985 121.223 -0.089 0.000 2.322 1238 L HA 0.575 4.915 4.340 -0.000 0.000 0.269 1238 L C 0.127 177.002 176.870 0.009 0.000 1.012 1238 L CA -1.032 53.751 54.840 -0.095 0.000 0.815 1238 L CB 1.684 43.578 42.059 -0.274 0.000 1.295 1238 L HN 0.505 nan 8.230 nan 0.000 0.438 1239 Q N 0.947 120.800 119.800 0.087 0.000 2.214 1239 Q HA 0.350 4.690 4.340 -0.000 0.000 0.251 1239 Q C -2.326 173.798 176.000 0.207 0.000 0.936 1239 Q CA -1.874 54.005 55.803 0.126 0.000 0.894 1239 Q CB 0.925 29.739 28.738 0.127 0.000 1.252 1239 Q HN 0.303 nan 8.270 nan 0.000 0.448 1240 P HA -0.141 nan 4.420 nan 0.000 0.255 1240 P C -0.895 176.567 177.300 0.270 0.000 1.173 1240 P CA 0.270 63.495 63.100 0.208 0.000 0.780 1240 P CB -0.068 31.716 31.700 0.140 0.000 0.758 1241 F N 4.746 124.856 119.950 0.267 0.000 2.549 1241 F HA -0.041 4.486 4.527 -0.000 0.000 0.400 1241 F C 1.040 176.930 175.800 0.149 0.000 1.011 1241 F CA 0.432 58.569 58.000 0.229 0.000 1.148 1241 F CB 0.157 39.281 39.000 0.208 0.000 0.993 1241 F HN 0.216 nan 8.300 nan 0.000 0.540 1242 R N 6.085 126.217 120.500 -0.613 0.000 2.598 1242 R HA 0.410 4.750 4.340 -0.000 0.000 0.279 1242 R C -1.719 174.217 176.300 -0.607 0.000 0.984 1242 R CA -0.791 55.082 56.100 -0.379 0.000 0.999 1242 R CB 1.240 31.436 30.300 -0.172 0.000 1.114 1242 R HN 0.708 nan 8.270 nan 0.000 0.493 1243 F N 4.424 124.212 119.950 -0.269 0.000 2.460 1243 F HA 0.297 4.824 4.527 -0.000 0.000 0.341 1243 F C -1.088 174.711 175.800 -0.002 0.000 1.130 1243 F CA -0.751 57.166 58.000 -0.139 0.000 0.962 1243 F CB 0.862 39.862 39.000 -0.000 0.000 1.171 1243 F HN 0.495 nan 8.300 nan 0.000 0.436 1244 Y N 2.861 123.074 120.300 -0.144 0.000 2.487 1244 Y HA 0.653 5.203 4.550 -0.000 0.000 0.337 1244 Y C -1.490 174.456 175.900 0.076 0.000 1.076 1244 Y CA -1.317 56.782 58.100 -0.001 0.000 1.115 1244 Y CB 1.490 39.841 38.460 -0.181 0.000 1.235 1244 Y HN 0.541 nan 8.280 nan 0.000 0.468 1245 D N 3.763 124.288 120.400 0.209 0.000 2.481 1245 D HA 0.422 5.062 4.640 -0.000 0.000 0.246 1245 D C -2.581 173.910 176.300 0.318 0.000 1.109 1245 D CA -2.673 51.412 54.000 0.141 0.000 0.845 1245 D CB 1.970 42.893 40.800 0.205 0.000 1.160 1245 D HN 0.350 nan 8.370 nan 0.000 0.534 1246 P HA 0.181 nan 4.420 nan 0.000 0.285 1246 P C 0.519 177.984 177.300 0.276 0.000 1.521 1246 P CA 0.273 63.551 63.100 0.297 0.000 0.792 1246 P CB 0.340 32.171 31.700 0.218 0.000 1.613 1247 G N -1.124 107.845 108.800 0.281 0.000 2.797 1247 G HA2 0.206 4.166 3.960 -0.000 0.000 0.209 1247 G HA3 0.206 4.166 3.960 -0.000 0.000 0.209 1247 G C 0.967 175.930 174.900 0.105 0.000 1.080 1247 G CA 0.324 45.529 45.100 0.175 0.000 0.897 1247 G HN 0.264 nan 8.290 nan 0.000 0.641 1248 A N 0.134 122.992 122.820 0.063 0.000 2.337 1248 A HA 0.720 5.040 4.320 -0.000 0.000 0.227 1248 A C -0.081 177.118 177.584 -0.643 0.000 1.259 1248 A CA -0.004 51.860 52.037 -0.290 0.000 0.870 1248 A CB -0.321 18.433 19.000 -0.409 0.000 0.927 1248 A HN 0.179 nan 8.150 nan 0.000 0.497 1252 L N 3.260 124.407 121.223 -0.127 0.000 2.673 1252 L HA 0.298 4.638 4.340 -0.000 0.000 0.255 1252 L C -2.377 174.441 176.870 -0.086 0.000 1.015 1252 L CA -1.317 53.440 54.840 -0.139 0.000 0.930 1252 L CB 2.333 44.337 42.059 -0.093 0.000 1.185 1252 L HN 0.377 nan 8.230 nan 0.000 0.457 1253 P HA 0.060 nan 4.420 nan 0.000 0.273 1253 P C 0.376 177.654 177.300 -0.037 0.000 1.250 1253 P CA -0.111 62.960 63.100 -0.049 0.000 0.793 1253 P CB 1.206 32.880 31.700 -0.043 0.000 1.011 1254 E N 0.860 121.003 120.200 -0.095 0.000 2.005 1254 E HA -0.246 4.104 4.350 -0.000 0.000 0.198 1254 E C 1.952 178.431 176.600 -0.200 0.000 1.010 1254 E CA 1.700 57.915 56.400 -0.309 0.000 0.825 1254 E CB -0.771 28.443 29.700 -0.809 0.000 0.769 1254 E HN 0.433 nan 8.360 nan 0.000 0.456 1255 A N 0.383 123.082 122.820 -0.202 0.000 1.915 1255 A HA -0.297 4.023 4.320 -0.000 0.000 0.220 1255 A C 2.450 179.991 177.584 -0.070 0.000 1.198 1255 A CA 2.738 54.701 52.037 -0.123 0.000 0.647 1255 A CB -1.448 17.491 19.000 -0.102 0.000 0.825 1255 A HN 0.486 nan 8.150 nan 0.000 0.456 1256 T N 0.276 114.788 114.554 -0.069 0.000 2.595 1256 T HA -0.173 4.177 4.350 -0.000 0.000 0.264 1256 T C 1.821 176.487 174.700 -0.057 0.000 1.058 1256 T CA 1.562 63.620 62.100 -0.070 0.000 1.166 1256 T CB -0.537 68.268 68.868 -0.104 0.000 0.863 1256 T HN 0.382 nan 8.240 nan 0.000 0.415 1257 L N 0.317 121.514 121.223 -0.044 0.000 2.064 1257 L HA -0.269 4.071 4.340 -0.000 0.000 0.216 1257 L C 2.925 179.799 176.870 0.006 0.000 1.077 1257 L CA 1.708 56.524 54.840 -0.041 0.000 0.766 1257 L CB -0.447 41.647 42.059 0.059 0.000 0.890 1257 L HN 0.243 nan 8.230 nan 0.000 0.435 1258 R N -0.858 119.674 120.500 0.053 0.000 2.066 1258 R HA -0.119 4.221 4.340 -0.000 0.000 0.232 1258 R C 2.419 178.729 176.300 0.016 0.000 1.131 1258 R CA 1.256 57.391 56.100 0.059 0.000 0.955 1258 R CB -0.505 29.819 30.300 0.039 0.000 0.851 1258 R HN 0.385 nan 8.270 nan 0.000 0.432 1259 A N 1.113 123.926 122.820 -0.012 0.000 1.883 1259 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 1259 A C 1.893 179.474 177.584 -0.005 0.000 1.186 1259 A CA 1.400 53.426 52.037 -0.018 0.000 0.624 1259 A CB -0.425 18.552 19.000 -0.038 0.000 0.822 1259 A HN 0.124 nan 8.150 nan 0.000 0.444 1260 L N -0.243 120.971 121.223 -0.016 0.000 2.622 1260 L HA 0.051 4.391 4.340 -0.000 0.000 0.233 1260 L C 0.498 177.371 176.870 0.006 0.000 1.156 1260 L CA 0.857 55.698 54.840 0.001 0.000 0.866 1260 L CB -1.035 41.002 42.059 -0.036 0.000 0.980 1260 L HN 0.504 nan 8.230 nan 0.000 0.448 1261 E N -1.352 118.849 120.200 0.003 0.000 2.252 1261 E HA -0.223 4.127 4.350 -0.000 0.000 0.218 1261 E C 1.228 177.819 176.600 -0.014 0.000 1.253 1261 E CA 0.198 56.606 56.400 0.012 0.000 0.705 1261 E CB -1.209 28.508 29.700 0.027 0.000 1.172 1261 E HN 0.229 nan 8.360 nan 0.000 0.369 1262 V N -0.708 119.159 119.914 -0.079 0.000 2.239 1262 V HA -0.201 3.919 4.120 -0.000 0.000 0.242 1262 V C 1.679 177.741 176.094 -0.054 0.000 1.038 1262 V CA 2.319 64.504 62.300 -0.193 0.000 1.002 1262 V CB -0.246 31.277 31.823 -0.501 0.000 0.641 1262 V HN 0.441 nan 8.190 nan 0.000 0.449 1263 F N -0.849 119.098 119.950 -0.005 0.000 2.315 1263 F HA 0.213 4.740 4.527 -0.000 0.000 0.284 1263 F C 1.253 177.047 175.800 -0.011 0.000 1.049 1263 F CA -0.151 57.823 58.000 -0.043 0.000 1.323 1263 F CB 0.352 39.254 39.000 -0.163 0.000 1.113 1263 F HN 0.125 nan 8.300 nan 0.000 0.544 1264 E N 1.692 122.008 120.200 0.195 0.000 2.222 1264 E HA 0.248 4.598 4.350 -0.000 0.000 0.272 1264 E C -2.478 174.174 176.600 0.086 0.000 0.982 1264 E CA -2.227 54.243 56.400 0.115 0.000 0.842 1264 E CB 1.187 30.944 29.700 0.095 0.000 1.144 1264 E HN -0.119 nan 8.360 nan 0.000 0.397 1265 P HA 0.155 nan 4.420 nan 0.000 0.294 1265 P C 0.364 177.689 177.300 0.041 0.000 1.294 1265 P CA -0.349 62.779 63.100 0.047 0.000 0.827 1265 P CB 1.417 33.140 31.700 0.038 0.000 0.992 1266 L N 1.827 123.071 121.223 0.036 0.000 1.970 1266 L HA -0.036 4.304 4.340 -0.000 0.000 0.212 1266 L C 1.631 178.516 176.870 0.025 0.000 1.071 1266 L CA 1.607 56.465 54.840 0.030 0.000 0.751 1266 L CB -0.376 41.697 42.059 0.024 0.000 0.889 1266 L HN 0.498 nan 8.230 nan 0.000 0.432 1267 R N -0.657 119.857 120.500 0.022 0.000 2.522 1267 R HA 0.487 4.827 4.340 -0.000 0.000 0.283 1267 R C -0.711 175.598 176.300 0.015 0.000 1.074 1267 R CA 0.423 56.534 56.100 0.017 0.000 0.925 1267 R CB 1.703 32.011 30.300 0.013 0.000 1.205 1267 R HN 0.286 nan 8.270 nan 0.000 0.436 1268 G N 2.490 111.298 108.800 0.013 0.000 2.236 1268 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.231 1268 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.231 1268 G C -0.609 174.298 174.900 0.011 0.000 1.334 1268 G CA -0.067 45.039 45.100 0.009 0.000 1.137 1268 G HN 0.488 nan 8.290 nan 0.000 0.482 1269 Q N -0.363 119.441 119.800 0.007 0.000 2.586 1269 Q HA 0.296 4.636 4.340 -0.000 0.000 0.243 1269 Q C 0.381 176.389 176.000 0.014 0.000 0.846 1269 Q CA 0.558 56.367 55.803 0.010 0.000 0.959 1269 Q CB 0.457 29.197 28.738 0.003 0.000 1.227 1269 Q HN 0.553 nan 8.270 nan 0.000 0.611 1270 D N 0.991 121.393 120.400 0.002 0.000 2.377 1270 D HA 0.334 4.974 4.640 -0.000 0.000 0.245 1270 D C 0.179 176.488 176.300 0.015 0.000 1.196 1270 D CA 0.535 54.536 54.000 0.001 0.000 0.962 1270 D CB 1.096 41.878 40.800 -0.031 0.000 1.127 1270 D HN 0.232 nan 8.370 nan 0.000 0.471 1271 T N -2.751 111.822 114.554 0.031 0.000 2.821 1271 T HA 0.187 4.537 4.350 -0.000 0.000 0.306 1271 T C 0.599 175.332 174.700 0.055 0.000 1.313 1271 T CA -0.821 61.312 62.100 0.056 0.000 1.012 1271 T CB 0.825 69.779 68.868 0.143 0.000 1.298 1271 T HN 0.100 nan 8.240 nan 0.000 0.502 1272 L N 0.571 121.821 121.223 0.046 0.000 2.127 1272 L HA 0.140 4.480 4.340 -0.000 0.000 0.211 1272 L C 1.844 178.800 176.870 0.144 0.000 1.089 1272 L CA 1.801 56.669 54.840 0.047 0.000 0.757 1272 L CB -1.383 40.683 42.059 0.012 0.000 0.899 1272 L HN 0.764 nan 8.230 nan 0.000 0.434 1273 F N 0.238 120.245 119.950 0.094 0.000 2.060 1273 F HA -0.198 4.329 4.527 -0.000 0.000 0.295 1273 F C 2.885 178.729 175.800 0.072 0.000 1.120 1273 F CA 1.743 59.826 58.000 0.139 0.000 1.205 1273 F CB -0.954 38.198 39.000 0.254 0.000 0.986 1273 F HN 0.339 nan 8.300 nan 0.000 0.470 1274 S N 0.053 115.752 115.700 -0.001 0.000 2.372 1274 S HA -0.226 4.244 4.470 -0.000 0.000 0.227 1274 S C 2.052 176.572 174.600 -0.133 0.000 1.044 1274 S CA 2.009 60.142 58.200 -0.113 0.000 1.050 1274 S CB -1.479 61.721 63.200 -0.000 0.000 0.901 1274 S HN 0.194 nan 8.310 nan 0.000 0.447 1275 V N 1.603 121.490 119.914 -0.045 0.000 2.594 1275 V HA -0.038 4.082 4.120 -0.000 0.000 0.253 1275 V C 2.416 178.527 176.094 0.027 0.000 1.069 1275 V CA 1.693 64.007 62.300 0.023 0.000 1.082 1275 V CB -0.798 31.047 31.823 0.036 0.000 0.680 1275 V HN 0.495 nan 8.190 nan 0.000 0.469 1276 L N -0.510 120.675 121.223 -0.063 0.000 2.463 1276 L HA 0.162 4.502 4.340 -0.000 0.000 0.219 1276 L C 0.936 177.657 176.870 -0.248 0.000 1.088 1276 L CA 0.110 54.905 54.840 -0.075 0.000 0.849 1276 L CB -0.086 41.975 42.059 0.003 0.000 1.012 1276 L HN 0.301 nan 8.230 nan 0.000 0.468 1277 D N 1.185 121.308 120.400 -0.460 0.000 2.389 1277 D HA -0.116 4.524 4.640 -0.000 0.000 0.278 1277 D C 0.557 176.669 176.300 -0.313 0.000 1.398 1277 D CA 0.680 54.332 54.000 -0.579 0.000 1.090 1277 D CB 0.415 40.782 40.800 -0.722 0.000 1.108 1277 D HN 0.023 nan 8.370 nan 0.000 0.532 1278 E N 1.421 121.467 120.200 -0.256 0.000 2.846 1278 E HA 0.094 4.444 4.350 -0.000 0.000 0.211 1278 E C -0.361 176.132 176.600 -0.178 0.000 0.975 1278 E CA -0.222 56.055 56.400 -0.204 0.000 1.211 1278 E CB 0.583 30.160 29.700 -0.206 0.000 1.052 1278 E HN 0.365 nan 8.360 nan 0.000 0.487 1279 T N -0.374 114.074 114.554 -0.178 0.000 2.919 1279 T HA 0.137 4.487 4.350 -0.000 0.000 0.302 1279 T C 0.898 175.534 174.700 -0.106 0.000 1.031 1279 T CA -0.093 61.919 62.100 -0.147 0.000 1.127 1279 T CB 0.634 69.420 68.868 -0.137 0.000 0.952 1279 T HN -0.012 nan 8.240 nan 0.000 0.540 1280 R N 2.285 122.734 120.500 -0.085 0.000 2.334 1280 R HA 0.158 4.498 4.340 -0.000 0.000 0.212 1280 R C 0.843 177.138 176.300 -0.008 0.000 0.897 1280 R CA 0.218 56.302 56.100 -0.027 0.000 1.056 1280 R CB 0.013 30.311 30.300 -0.002 0.000 1.046 1280 R HN 0.847 nan 8.270 nan 0.000 0.513 1281 T N -4.306 110.221 114.554 -0.045 0.000 2.893 1281 T HA 0.586 4.936 4.350 -0.000 0.000 0.291 1281 T C 1.096 175.765 174.700 -0.052 0.000 1.028 1281 T CA -0.257 61.816 62.100 -0.044 0.000 0.995 1281 T CB 2.440 71.273 68.868 -0.059 0.000 1.051 1281 T HN -0.056 nan 8.240 nan 0.000 0.470 1282 A N 2.212 125.005 122.820 -0.045 0.000 1.908 1282 A HA 0.115 4.435 4.320 -0.000 0.000 0.218 1282 A C -0.506 177.039 177.584 -0.065 0.000 1.181 1282 A CA 1.453 53.461 52.037 -0.048 0.000 0.627 1282 A CB -1.937 17.034 19.000 -0.049 0.000 0.818 1282 A HN 0.726 nan 8.150 nan 0.000 0.445 1283 P HA -0.119 nan 4.420 nan 0.000 0.214 1283 P C 1.865 179.093 177.300 -0.119 0.000 1.163 1283 P CA 1.813 64.861 63.100 -0.087 0.000 0.883 1283 P CB -0.408 31.245 31.700 -0.078 0.000 0.788 1284 G N 0.443 109.163 108.800 -0.134 0.000 2.514 1284 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.217 1284 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.217 1284 G C 1.677 176.476 174.900 -0.170 0.000 1.198 1284 G CA 1.401 46.386 45.100 -0.192 0.000 0.780 1284 G HN 0.252 nan 8.290 nan 0.000 0.565 1285 R N 0.334 120.779 120.500 -0.093 0.000 2.133 1285 R HA -0.095 4.245 4.340 -0.000 0.000 0.247 1285 R C 2.573 178.859 176.300 -0.023 0.000 1.151 1285 R CA 1.626 57.728 56.100 0.003 0.000 0.971 1285 R CB -0.362 29.973 30.300 0.058 0.000 0.866 1285 R HN 0.314 nan 8.270 nan 0.000 0.447 1286 R N 0.081 120.532 120.500 -0.082 0.000 2.115 1286 R HA -0.100 4.240 4.340 -0.000 0.000 0.230 1286 R C 2.285 178.515 176.300 -0.117 0.000 1.111 1286 R CA 1.132 57.171 56.100 -0.102 0.000 0.976 1286 R CB -0.311 29.931 30.300 -0.097 0.000 0.870 1286 R HN 0.256 nan 8.270 nan 0.000 0.445 1287 L N 0.920 122.035 121.223 -0.180 0.000 2.044 1287 L HA -0.099 4.240 4.340 -0.000 0.000 0.205 1287 L C 2.079 178.685 176.870 -0.439 0.000 1.075 1287 L CA 1.420 56.077 54.840 -0.304 0.000 0.747 1287 L CB -0.693 41.105 42.059 -0.434 0.000 0.903 1287 L HN 0.077 nan 8.230 nan 0.000 0.435 1288 L N -0.207 120.792 121.223 -0.373 0.000 1.989 1288 L HA -0.276 4.064 4.340 -0.000 0.000 0.211 1288 L C 2.581 179.479 176.870 0.047 0.000 1.071 1288 L CA 2.257 56.961 54.840 -0.228 0.000 0.749 1288 L CB -0.852 41.178 42.059 -0.048 0.000 0.890 1288 L HN 0.536 nan 8.230 nan 0.000 0.431 1289 Q N -1.046 118.785 119.800 0.052 0.000 2.152 1289 Q HA -0.262 4.078 4.340 -0.000 0.000 0.206 1289 Q C 2.366 178.398 176.000 0.053 0.000 0.985 1289 Q CA 2.026 57.821 55.803 -0.013 0.000 0.863 1289 Q CB -0.202 28.337 28.738 -0.332 0.000 0.904 1289 Q HN 0.727 nan 8.270 nan 0.000 0.422 1290 S N -0.612 115.116 115.700 0.047 0.000 2.344 1290 S HA -0.179 4.291 4.470 -0.000 0.000 0.217 1290 S C 1.368 176.131 174.600 0.273 0.000 1.033 1290 S CA 1.376 59.654 58.200 0.129 0.000 1.017 1290 S CB -0.512 62.823 63.200 0.225 0.000 0.941 1290 S HN 0.608 nan 8.310 nan 0.000 0.430 1291 W N 1.913 123.249 121.300 0.060 0.000 2.290 1291 W HA -0.129 4.530 4.660 -0.000 0.000 0.318 1291 W C 2.315 178.877 176.519 0.071 0.000 1.248 1291 W CA 0.791 58.195 57.345 0.097 0.000 1.263 1291 W CB -1.397 28.126 29.460 0.104 0.000 1.147 1291 W HN 0.340 nan 8.180 nan 0.000 0.494 1292 L N -0.459 120.946 121.223 0.303 0.000 1.994 1292 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 1292 L C 2.500 179.359 176.870 -0.018 0.000 1.071 1292 L CA 1.579 56.507 54.840 0.146 0.000 0.745 1292 L CB -1.069 41.098 42.059 0.181 0.000 0.892 1292 L HN -0.059 nan 8.230 nan 0.000 0.431 1293 R N -0.909 119.551 120.500 -0.066 0.000 2.293 1293 R HA -0.058 4.282 4.340 -0.000 0.000 0.219 1293 R C -0.088 175.839 176.300 -0.622 0.000 1.091 1293 R CA 0.622 56.489 56.100 -0.388 0.000 1.004 1293 R CB -0.111 29.842 30.300 -0.579 0.000 0.865 1293 R HN 0.429 nan 8.270 nan 0.000 0.469 1294 H N -0.693 118.347 119.070 -0.050 0.000 2.607 1294 H HA 0.302 4.858 4.556 -0.000 0.000 0.248 1294 H C -2.501 172.887 175.328 0.101 0.000 1.355 1294 H CA -2.960 53.014 56.048 -0.123 0.000 1.524 1294 H CB 1.019 30.515 29.762 -0.443 0.000 1.563 1294 H HN -0.036 nan 8.280 nan 0.000 0.509 1295 P HA 0.082 nan 4.420 nan 0.000 0.273 1295 P C 0.630 178.069 177.300 0.232 0.000 1.250 1295 P CA -0.307 62.901 63.100 0.180 0.000 0.793 1295 P CB 1.381 33.153 31.700 0.121 0.000 1.011 1296 L N 0.507 121.785 121.223 0.092 0.000 2.472 1296 L HA 0.379 4.719 4.340 -0.000 0.000 0.256 1296 L C 1.402 178.243 176.870 -0.050 0.000 1.111 1296 L CA -0.501 54.335 54.840 -0.006 0.000 0.800 1296 L CB 0.293 42.295 42.059 -0.095 0.000 1.286 1296 L HN 0.367 nan 8.230 nan 0.000 0.479 1297 L N -1.685 119.458 121.223 -0.133 0.000 2.678 1297 L HA 0.215 4.555 4.340 -0.000 0.000 0.187 1297 L C 0.054 176.818 176.870 -0.177 0.000 1.073 1297 L CA -0.219 54.542 54.840 -0.130 0.000 0.883 1297 L CB 0.327 42.310 42.059 -0.127 0.000 1.501 1297 L HN 0.534 nan 8.230 nan 0.000 0.488 1298 D N 1.511 121.800 120.400 -0.185 0.000 2.414 1298 D HA 0.004 4.644 4.640 -0.000 0.000 0.242 1298 D C 0.707 176.860 176.300 -0.245 0.000 1.129 1298 D CA 0.187 54.076 54.000 -0.186 0.000 0.885 1298 D CB 1.919 42.627 40.800 -0.153 0.000 1.198 1298 D HN 0.103 nan 8.370 nan 0.000 0.437 1299 R N 2.257 122.591 120.500 -0.277 0.000 2.092 1299 R HA -0.099 4.241 4.340 -0.000 0.000 0.231 1299 R C 1.969 178.133 176.300 -0.226 0.000 1.119 1299 R CA 1.411 57.288 56.100 -0.371 0.000 0.970 1299 R CB -0.522 29.576 30.300 -0.337 0.000 0.864 1299 R HN 0.568 nan 8.270 nan 0.000 0.440 1300 G N 1.486 110.196 108.800 -0.151 0.000 2.513 1300 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.219 1300 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.219 1300 G C -0.996 173.853 174.900 -0.085 0.000 1.160 1300 G CA 0.812 45.854 45.100 -0.096 0.000 0.767 1300 G HN 0.411 nan 8.290 nan 0.000 0.571 1301 P HA 0.024 nan 4.420 nan 0.000 0.214 1301 P C 2.116 179.363 177.300 -0.087 0.000 1.162 1301 P CA 0.477 63.520 63.100 -0.095 0.000 0.874 1301 P CB -0.164 31.458 31.700 -0.129 0.000 0.784 1302 L N -0.294 120.857 121.223 -0.119 0.000 1.997 1302 L HA -0.243 4.097 4.340 -0.000 0.000 0.216 1302 L C 2.555 179.444 176.870 0.032 0.000 1.074 1302 L CA 1.779 56.583 54.840 -0.060 0.000 0.763 1302 L CB -1.089 40.884 42.059 -0.143 0.000 0.890 1302 L HN -0.042 nan 8.230 nan 0.000 0.434 1303 E N -0.104 120.102 120.200 0.009 0.000 2.049 1303 E HA -0.306 4.044 4.350 -0.000 0.000 0.198 1303 E C 2.314 178.942 176.600 0.047 0.000 1.007 1303 E CA 1.584 58.024 56.400 0.067 0.000 0.809 1303 E CB -0.638 29.079 29.700 0.029 0.000 0.749 1303 E HN 0.532 nan 8.360 nan 0.000 0.450 1304 A N 1.666 124.491 122.820 0.009 0.000 1.927 1304 A HA -0.280 4.040 4.320 -0.000 0.000 0.220 1304 A C 2.225 179.792 177.584 -0.027 0.000 1.185 1304 A CA 2.094 54.130 52.037 -0.002 0.000 0.639 1304 A CB -0.564 18.436 19.000 0.000 0.000 0.820 1304 A HN 0.166 nan 8.150 nan 0.000 0.451 1305 R N -0.843 119.661 120.500 0.006 0.000 2.062 1305 R HA 0.060 4.400 4.340 -0.000 0.000 0.229 1305 R C 2.093 178.415 176.300 0.037 0.000 1.128 1305 R CA 1.329 57.439 56.100 0.017 0.000 0.960 1305 R CB -0.464 29.949 30.300 0.188 0.000 0.855 1305 R HN 0.514 nan 8.270 nan 0.000 0.432 1306 L N 0.829 122.143 121.223 0.152 0.000 2.201 1306 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 1306 L C 1.684 178.687 176.870 0.222 0.000 1.105 1306 L CA 0.962 55.965 54.840 0.272 0.000 0.775 1306 L CB -0.468 41.764 42.059 0.289 0.000 0.913 1306 L HN 0.206 nan 8.230 nan 0.000 0.440 1307 D N 0.020 120.482 120.400 0.104 0.000 2.097 1307 D HA -0.132 4.508 4.640 -0.000 0.000 0.197 1307 D C 2.329 178.651 176.300 0.037 0.000 0.984 1307 D CA 0.955 55.000 54.000 0.075 0.000 0.826 1307 D CB -0.048 40.773 40.800 0.035 0.000 0.973 1307 D HN 0.259 nan 8.370 nan 0.000 0.460 1308 R N 0.709 121.164 120.500 -0.075 0.000 2.082 1308 R HA -0.090 4.250 4.340 -0.000 0.000 0.234 1308 R C 2.528 178.805 176.300 -0.038 0.000 1.136 1308 R CA 0.744 56.747 56.100 -0.162 0.000 0.935 1308 R CB -0.970 28.936 30.300 -0.657 0.000 0.842 1308 R HN 0.107 nan 8.270 nan 0.000 0.430 1309 V N 1.492 121.370 119.914 -0.059 0.000 2.380 1309 V HA -0.256 3.864 4.120 -0.000 0.000 0.251 1309 V C 2.304 178.380 176.094 -0.030 0.000 1.063 1309 V CA 1.962 64.269 62.300 0.012 0.000 1.055 1309 V CB -0.561 31.267 31.823 0.008 0.000 0.657 1309 V HN 0.435 nan 8.190 nan 0.000 0.455 1310 E N -0.079 120.168 120.200 0.079 0.000 2.338 1310 E HA -0.119 4.231 4.350 -0.000 0.000 0.197 1310 E C 2.182 178.838 176.600 0.092 0.000 1.007 1310 E CA 0.843 57.336 56.400 0.153 0.000 0.849 1310 E CB -0.228 29.671 29.700 0.332 0.000 0.774 1310 E HN 0.639 nan 8.360 nan 0.000 0.506 1311 G N 0.651 109.508 108.800 0.095 0.000 2.524 1311 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.215 1311 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.215 1311 G C 0.972 175.867 174.900 -0.008 0.000 1.239 1311 G CA 0.446 45.571 45.100 0.043 0.000 0.798 1311 G HN 0.253 nan 8.290 nan 0.000 0.557 1312 F N 0.582 120.517 119.950 -0.026 0.000 2.664 1312 F HA 0.083 4.610 4.527 -0.000 0.000 0.297 1312 F C 2.324 178.093 175.800 -0.051 0.000 1.164 1312 F CA 0.058 58.041 58.000 -0.029 0.000 1.472 1312 F CB 0.082 39.070 39.000 -0.020 0.000 1.108 1312 F HN -0.033 nan 8.300 nan 0.000 0.596 1313 V N -0.980 118.973 119.914 0.065 0.000 2.795 1313 V HA -0.025 4.095 4.120 -0.000 0.000 0.243 1313 V C 1.974 178.075 176.094 0.012 0.000 1.069 1313 V CA 0.892 63.197 62.300 0.008 0.000 1.089 1313 V CB -0.151 31.634 31.823 -0.063 0.000 0.756 1313 V HN 0.131 nan 8.190 nan 0.000 0.471 1314 R N 0.215 120.723 120.500 0.013 0.000 2.310 1314 R HA 0.105 4.445 4.340 -0.000 0.000 0.202 1314 R C 0.399 176.682 176.300 -0.028 0.000 0.933 1314 R CA 0.282 56.387 56.100 0.008 0.000 1.054 1314 R CB 0.229 30.542 30.300 0.022 0.000 0.985 1314 R HN 0.256 nan 8.270 nan 0.000 0.489 1315 E N -0.394 119.772 120.200 -0.058 0.000 4.044 1315 E HA 0.179 4.529 4.350 -0.000 0.000 0.216 1315 E C 0.834 177.393 176.600 -0.069 0.000 1.104 1315 E CA -0.255 56.087 56.400 -0.097 0.000 1.383 1315 E CB 0.551 30.127 29.700 -0.206 0.000 1.195 1315 E HN 0.240 nan 8.360 nan 0.000 0.442 1316 G N 1.254 110.038 108.800 -0.028 0.000 2.732 1316 G HA2 -0.428 3.532 3.960 -0.000 0.000 0.222 1316 G HA3 -0.428 3.532 3.960 -0.000 0.000 0.222 1316 G C 1.572 176.468 174.900 -0.006 0.000 1.203 1316 G CA 1.431 46.525 45.100 -0.009 0.000 0.780 1316 G HN 0.517 nan 8.290 nan 0.000 0.621 1317 A N 0.145 122.954 122.820 -0.018 0.000 1.892 1317 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 1317 A C 2.448 180.026 177.584 -0.009 0.000 1.188 1317 A CA 2.176 54.206 52.037 -0.013 0.000 0.631 1317 A CB -0.607 18.381 19.000 -0.019 0.000 0.822 1317 A HN 0.635 nan 8.150 nan 0.000 0.447 1318 L N -0.136 121.057 121.223 -0.050 0.000 2.043 1318 L HA -0.184 4.155 4.340 -0.000 0.000 0.212 1318 L C 2.468 179.362 176.870 0.039 0.000 1.075 1318 L CA 2.563 57.350 54.840 -0.088 0.000 0.752 1318 L CB -0.708 41.187 42.059 -0.273 0.000 0.891 1318 L HN 0.510 nan 8.230 nan 0.000 0.432 1319 R N -0.925 119.649 120.500 0.124 0.000 2.092 1319 R HA -0.118 4.222 4.340 -0.000 0.000 0.231 1319 R C 2.085 178.487 176.300 0.170 0.000 1.119 1319 R CA 1.081 57.406 56.100 0.375 0.000 0.970 1319 R CB -0.080 30.401 30.300 0.302 0.000 0.864 1319 R HN 0.446 nan 8.270 nan 0.000 0.440 1320 E N -0.287 119.962 120.200 0.081 0.000 2.058 1320 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 1320 E C 1.801 178.430 176.600 0.048 0.000 0.997 1320 E CA 1.485 57.908 56.400 0.039 0.000 0.801 1320 E CB -0.361 29.349 29.700 0.016 0.000 0.746 1320 E HN 0.553 nan 8.360 nan 0.000 0.450 1321 G N 1.446 110.283 108.800 0.061 0.000 2.604 1321 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 1321 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 1321 G C 1.834 176.781 174.900 0.077 0.000 1.265 1321 G CA 1.476 46.612 45.100 0.061 0.000 0.804 1321 G HN 0.184 nan 8.290 nan 0.000 0.579 1322 V N 1.085 121.073 119.914 0.123 0.000 2.317 1322 V HA -0.297 3.823 4.120 -0.000 0.000 0.251 1322 V C 2.967 179.094 176.094 0.056 0.000 1.065 1322 V CA 2.445 64.811 62.300 0.111 0.000 1.049 1322 V CB -0.636 31.299 31.823 0.187 0.000 0.651 1322 V HN 0.338 nan 8.190 nan 0.000 0.450 1323 R N -0.322 120.205 120.500 0.045 0.000 2.073 1323 R HA -0.126 4.214 4.340 -0.000 0.000 0.234 1323 R C 2.572 178.892 176.300 0.034 0.000 1.134 1323 R CA 1.616 57.720 56.100 0.006 0.000 0.952 1323 R CB -0.387 29.902 30.300 -0.018 0.000 0.850 1323 R HN 0.496 nan 8.270 nan 0.000 0.433 1324 R N 0.564 121.090 120.500 0.043 0.000 2.115 1324 R HA -0.065 4.275 4.340 -0.000 0.000 0.230 1324 R C 2.350 178.712 176.300 0.103 0.000 1.111 1324 R CA 1.092 57.234 56.100 0.070 0.000 0.976 1324 R CB -0.289 30.039 30.300 0.047 0.000 0.870 1324 R HN 0.253 nan 8.270 nan 0.000 0.445 1325 L N 0.434 121.698 121.223 0.069 0.000 2.044 1325 L HA -0.114 4.226 4.340 -0.000 0.000 0.205 1325 L C 2.389 179.285 176.870 0.043 0.000 1.075 1325 L CA 1.056 55.926 54.840 0.050 0.000 0.747 1325 L CB -0.620 41.463 42.059 0.039 0.000 0.903 1325 L HN 0.156 nan 8.230 nan 0.000 0.435 1326 L N -0.788 120.461 121.223 0.044 0.000 2.187 1326 L HA -0.194 4.146 4.340 -0.000 0.000 0.213 1326 L C 1.210 178.116 176.870 0.060 0.000 1.100 1326 L CA 0.323 55.179 54.840 0.027 0.000 0.765 1326 L CB -0.720 41.340 42.059 0.003 0.000 0.904 1326 L HN 0.193 nan 8.230 nan 0.000 0.437 1327 Y N 2.138 122.415 120.300 -0.039 0.000 2.805 1327 Y HA -0.090 4.460 4.550 -0.000 0.000 0.331 1327 Y C 1.194 177.074 175.900 -0.033 0.000 1.241 1327 Y CA -0.044 58.032 58.100 -0.040 0.000 1.546 1327 Y CB -0.055 38.383 38.460 -0.037 0.000 1.248 1327 Y HN 0.136 nan 8.280 nan 0.000 0.559 1328 R N 0.992 121.289 120.500 -0.339 0.000 3.603 1328 R HA -0.249 4.090 4.340 -0.000 0.000 0.479 1328 R C -0.142 176.048 176.300 -0.183 0.000 0.745 1328 R CA 0.803 56.661 56.100 -0.403 0.000 1.476 1328 R CB -1.807 28.121 30.300 -0.620 0.000 2.147 1328 R HN 0.560 nan 8.270 nan 0.000 0.447 1329 L N 2.341 123.498 121.223 -0.110 0.000 2.601 1329 L HA 0.188 4.528 4.340 -0.000 0.000 0.277 1329 L C 0.874 177.708 176.870 -0.061 0.000 1.219 1329 L CA 0.941 55.739 54.840 -0.070 0.000 0.915 1329 L CB 0.241 42.275 42.059 -0.042 0.000 1.160 1329 L HN 0.227 nan 8.230 nan 0.000 0.494 1330 A N 4.045 126.832 122.820 -0.056 0.000 2.504 1330 A HA -0.018 4.302 4.320 -0.000 0.000 0.242 1330 A C 0.617 178.176 177.584 -0.041 0.000 1.100 1330 A CA 0.243 52.252 52.037 -0.047 0.000 0.786 1330 A CB -0.099 18.878 19.000 -0.038 0.000 1.050 1330 A HN 0.833 nan 8.150 nan 0.000 0.512 1331 D N 1.070 121.447 120.400 -0.038 0.000 2.994 1331 D HA 0.188 4.828 4.640 -0.000 0.000 0.240 1331 D C 0.899 177.178 176.300 -0.034 0.000 1.195 1331 D CA -0.246 53.731 54.000 -0.039 0.000 0.957 1331 D CB -0.400 40.376 40.800 -0.040 0.000 1.105 1331 D HN 0.371 nan 8.370 nan 0.000 0.477 1332 L N 1.091 122.296 121.223 -0.031 0.000 2.230 1332 L HA -0.233 4.107 4.340 -0.000 0.000 0.217 1332 L C 2.256 179.112 176.870 -0.023 0.000 1.090 1332 L CA 1.598 56.423 54.840 -0.024 0.000 0.771 1332 L CB -0.588 41.459 42.059 -0.021 0.000 0.892 1332 L HN 0.380 nan 8.230 nan 0.000 0.438 1333 E N -0.384 119.799 120.200 -0.028 0.000 2.033 1333 E HA -0.150 4.200 4.350 -0.000 0.000 0.189 1333 E C 2.351 178.935 176.600 -0.028 0.000 0.979 1333 E CA 0.629 57.014 56.400 -0.026 0.000 0.802 1333 E CB 0.033 29.714 29.700 -0.032 0.000 0.763 1333 E HN 0.404 nan 8.360 nan 0.000 0.449 1334 R N 0.534 121.013 120.500 -0.035 0.000 2.148 1334 R HA -0.036 4.304 4.340 -0.000 0.000 0.227 1334 R C 2.538 178.821 176.300 -0.028 0.000 1.103 1334 R CA 0.693 56.771 56.100 -0.036 0.000 0.983 1334 R CB -0.243 30.031 30.300 -0.043 0.000 0.874 1334 R HN 0.304 nan 8.270 nan 0.000 0.451 1335 L N 0.433 121.641 121.223 -0.025 0.000 1.948 1335 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 1335 L C 2.385 179.245 176.870 -0.017 0.000 1.074 1335 L CA 1.677 56.505 54.840 -0.019 0.000 0.753 1335 L CB -0.588 41.461 42.059 -0.017 0.000 0.888 1335 L HN 0.225 nan 8.230 nan 0.000 0.432 1336 A N -0.567 122.243 122.820 -0.017 0.000 1.927 1336 A HA -0.289 4.031 4.320 -0.000 0.000 0.220 1336 A C 2.168 179.742 177.584 -0.017 0.000 1.185 1336 A CA 2.675 54.703 52.037 -0.016 0.000 0.639 1336 A CB -1.303 17.690 19.000 -0.012 0.000 0.820 1336 A HN 0.595 nan 8.150 nan 0.000 0.451 1337 T N -0.318 114.226 114.554 -0.018 0.000 2.699 1337 T HA -0.219 4.131 4.350 -0.000 0.000 0.268 1337 T C 1.964 176.651 174.700 -0.022 0.000 1.036 1337 T CA 1.904 63.992 62.100 -0.020 0.000 1.147 1337 T CB -0.283 68.571 68.868 -0.023 0.000 0.862 1337 T HN 0.605 nan 8.240 nan 0.000 0.446 1338 R N 0.277 120.764 120.500 -0.021 0.000 2.148 1338 R HA 0.171 4.511 4.340 -0.000 0.000 0.223 1338 R C 2.406 178.694 176.300 -0.021 0.000 1.088 1338 R CA 0.603 56.692 56.100 -0.019 0.000 0.985 1338 R CB -0.371 29.921 30.300 -0.014 0.000 0.880 1338 R HN 0.355 nan 8.270 nan 0.000 0.451 1339 L N 0.840 122.049 121.223 -0.023 0.000 2.056 1339 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 1339 L C 1.505 178.356 176.870 -0.032 0.000 1.078 1339 L CA 1.423 56.245 54.840 -0.030 0.000 0.749 1339 L CB -0.197 41.845 42.059 -0.029 0.000 0.901 1339 L HN 0.258 nan 8.230 nan 0.000 0.433 1340 E N -0.404 119.780 120.200 -0.027 0.000 2.502 1340 E HA -0.063 4.287 4.350 -0.000 0.000 0.194 1340 E C 1.642 178.224 176.600 -0.030 0.000 1.062 1340 E CA 0.265 56.649 56.400 -0.027 0.000 0.867 1340 E CB 0.255 29.942 29.700 -0.023 0.000 0.888 1340 E HN 0.495 nan 8.360 nan 0.000 0.510 1341 L N -0.269 120.936 121.223 -0.029 0.000 2.731 1341 L HA 0.230 4.570 4.340 -0.000 0.000 0.240 1341 L C 0.721 177.575 176.870 -0.027 0.000 1.120 1341 L CA -0.066 54.756 54.840 -0.030 0.000 0.913 1341 L CB 0.700 42.742 42.059 -0.028 0.000 1.213 1341 L HN 0.208 nan 8.230 nan 0.000 0.515 1342 G N 1.657 110.440 108.800 -0.029 0.000 2.374 1342 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.289 1342 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.289 1342 G C 0.383 175.274 174.900 -0.014 0.000 1.004 1342 G CA 0.463 45.546 45.100 -0.028 0.000 1.292 1342 G HN 0.492 nan 8.290 nan 0.000 0.502 1343 R N -0.779 119.717 120.500 -0.006 0.000 2.395 1343 R HA 0.316 4.656 4.340 -0.000 0.000 0.280 1343 R C 1.070 177.385 176.300 0.024 0.000 0.742 1343 R CA 0.139 56.244 56.100 0.010 0.000 0.969 1343 R CB 0.107 30.407 30.300 -0.001 0.000 1.679 1343 R HN 0.925 nan 8.270 nan 0.000 0.480 1344 A N 2.283 125.115 122.820 0.019 0.000 2.785 1344 A HA 0.272 4.592 4.320 -0.000 0.000 0.294 1344 A C 0.733 178.379 177.584 0.104 0.000 1.597 1344 A CA -0.012 52.046 52.037 0.035 0.000 1.283 1344 A CB -0.372 18.632 19.000 0.007 0.000 1.088 1344 A HN 0.335 nan 8.150 nan 0.000 0.568 1345 S N 2.656 118.422 115.700 0.111 0.000 2.572 1345 S HA 0.117 4.587 4.470 -0.000 0.000 0.262 1345 S C -1.550 173.189 174.600 0.233 0.000 1.375 1345 S CA -0.134 58.165 58.200 0.165 0.000 0.996 1345 S CB -0.098 63.138 63.200 0.060 0.000 0.892 1345 S HN 0.402 nan 8.310 nan 0.000 0.562 1346 P HA -0.073 nan 4.420 nan 0.000 0.214 1346 P C 1.571 178.897 177.300 0.044 0.000 1.163 1346 P CA 1.279 64.408 63.100 0.048 0.000 0.883 1346 P CB -0.061 31.386 31.700 -0.422 0.000 0.788 1347 K N 0.288 120.681 120.400 -0.012 0.000 2.059 1347 K HA -0.216 4.104 4.320 -0.000 0.000 0.212 1347 K C 1.717 178.323 176.600 0.010 0.000 1.050 1347 K CA 1.983 58.263 56.287 -0.012 0.000 0.927 1347 K CB -1.190 31.295 32.500 -0.024 0.000 0.714 1347 K HN 0.014 nan 8.250 nan 0.000 0.447 1348 D N 0.214 120.630 120.400 0.026 0.000 2.158 1348 D HA -0.191 4.449 4.640 -0.000 0.000 0.197 1348 D C 1.882 178.199 176.300 0.028 0.000 0.995 1348 D CA 1.374 55.388 54.000 0.023 0.000 0.846 1348 D CB -0.096 40.721 40.800 0.029 0.000 0.941 1348 D HN 0.289 nan 8.370 nan 0.000 0.456 1349 L N 0.515 121.774 121.223 0.060 0.000 2.201 1349 L HA -0.033 4.307 4.340 -0.000 0.000 0.212 1349 L C 2.569 179.460 176.870 0.034 0.000 1.105 1349 L CA 0.881 55.755 54.840 0.057 0.000 0.775 1349 L CB -0.555 41.570 42.059 0.110 0.000 0.913 1349 L HN 0.052 nan 8.230 nan 0.000 0.440 1350 G N -0.014 108.801 108.800 0.025 0.000 2.453 1350 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.215 1350 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.215 1350 G C 1.785 176.681 174.900 -0.008 0.000 1.201 1350 G CA 0.850 45.952 45.100 0.004 0.000 0.784 1350 G HN 0.437 nan 8.290 nan 0.000 0.545 1351 A N 0.507 123.319 122.820 -0.014 0.000 1.883 1351 A HA -0.018 4.302 4.320 -0.000 0.000 0.217 1351 A C 2.395 179.966 177.584 -0.022 0.000 1.186 1351 A CA 1.992 54.013 52.037 -0.026 0.000 0.624 1351 A CB -0.613 18.369 19.000 -0.030 0.000 0.822 1351 A HN 0.587 nan 8.150 nan 0.000 0.444 1352 L N 0.208 121.424 121.223 -0.011 0.000 2.012 1352 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 1352 L C 2.367 179.233 176.870 -0.008 0.000 1.073 1352 L CA 2.638 57.473 54.840 -0.009 0.000 0.748 1352 L CB -0.968 41.091 42.059 -0.001 0.000 0.891 1352 L HN 0.515 nan 8.230 nan 0.000 0.431 1353 R N -0.329 120.170 120.500 -0.002 0.000 2.080 1353 R HA -0.216 4.124 4.340 -0.000 0.000 0.236 1353 R C 2.573 178.868 176.300 -0.010 0.000 1.137 1353 R CA 1.749 57.848 56.100 -0.002 0.000 0.943 1353 R CB -0.495 29.807 30.300 0.003 0.000 0.846 1353 R HN 0.443 nan 8.270 nan 0.000 0.431 1354 R N 0.240 120.731 120.500 -0.016 0.000 2.133 1354 R HA -0.147 4.193 4.340 -0.000 0.000 0.247 1354 R C 1.978 178.262 176.300 -0.026 0.000 1.151 1354 R CA 2.169 58.254 56.100 -0.025 0.000 0.971 1354 R CB -0.204 30.075 30.300 -0.036 0.000 0.866 1354 R HN 0.251 nan 8.270 nan 0.000 0.447 1355 S N 1.121 116.806 115.700 -0.025 0.000 2.336 1355 S HA -0.072 4.398 4.470 -0.000 0.000 0.214 1355 S C 1.945 176.536 174.600 -0.014 0.000 1.032 1355 S CA 1.265 59.451 58.200 -0.024 0.000 1.001 1355 S CB -0.364 62.821 63.200 -0.024 0.000 0.953 1355 S HN 0.312 nan 8.310 nan 0.000 0.430 1356 L N 1.616 122.833 121.223 -0.010 0.000 2.283 1356 L HA -0.274 4.066 4.340 -0.000 0.000 0.217 1356 L C 2.515 179.382 176.870 -0.003 0.000 1.104 1356 L CA 1.263 56.099 54.840 -0.005 0.000 0.772 1356 L CB -0.740 41.317 42.059 -0.004 0.000 0.899 1356 L HN 0.434 nan 8.230 nan 0.000 0.439 1357 Q N -0.419 119.377 119.800 -0.006 0.000 2.187 1357 Q HA -0.052 4.288 4.340 -0.000 0.000 0.199 1357 Q C 2.294 178.293 176.000 -0.003 0.000 0.957 1357 Q CA 0.953 56.753 55.803 -0.005 0.000 0.857 1357 Q CB 0.118 28.851 28.738 -0.008 0.000 0.929 1357 Q HN 0.586 nan 8.270 nan 0.000 0.453 1358 I N 0.096 120.663 120.570 -0.006 0.000 2.617 1358 I HA -0.194 3.976 4.170 -0.000 0.000 0.256 1358 I C 1.793 177.914 176.117 0.006 0.000 1.167 1358 I CA 0.181 61.480 61.300 -0.001 0.000 1.469 1358 I CB -0.003 37.993 38.000 -0.007 0.000 1.098 1358 I HN 0.185 nan 8.210 nan 0.000 0.436 1359 L N 1.652 122.878 121.223 0.004 0.000 2.034 1359 L HA -0.197 4.143 4.340 -0.000 0.000 0.217 1359 L C -0.340 176.538 176.870 0.015 0.000 1.077 1359 L CA 2.626 57.471 54.840 0.010 0.000 0.769 1359 L CB -1.773 40.290 42.059 0.006 0.000 0.890 1359 L HN 0.140 nan 8.230 nan 0.000 0.435 1360 P HA -0.124 nan 4.420 nan 0.000 0.217 1360 P C 1.382 178.692 177.300 0.016 0.000 1.151 1360 P CA 1.183 64.291 63.100 0.013 0.000 0.828 1360 P CB 0.060 31.765 31.700 0.009 0.000 0.788 1361 E N -0.375 119.835 120.200 0.016 0.000 2.047 1361 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 1361 E C 2.006 178.623 176.600 0.029 0.000 0.987 1361 E CA 0.940 57.352 56.400 0.020 0.000 0.799 1361 E CB -0.708 29.002 29.700 0.017 0.000 0.752 1361 E HN 0.209 nan 8.360 nan 0.000 0.449 1362 L N 0.620 121.864 121.223 0.035 0.000 2.079 1362 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 1362 L C 2.726 179.629 176.870 0.056 0.000 1.081 1362 L CA 1.161 56.033 54.840 0.053 0.000 0.752 1362 L CB -0.401 41.689 42.059 0.052 0.000 0.896 1362 L HN 0.059 nan 8.230 nan 0.000 0.433 1363 R N 0.363 120.888 120.500 0.042 0.000 2.189 1363 R HA -0.097 4.243 4.340 -0.000 0.000 0.223 1363 R C 2.000 178.319 176.300 0.031 0.000 1.092 1363 R CA 1.045 57.169 56.100 0.039 0.000 0.989 1363 R CB -0.066 30.253 30.300 0.031 0.000 0.876 1363 R HN 0.348 nan 8.270 nan 0.000 0.457 1364 A N -0.169 122.667 122.820 0.026 0.000 2.251 1364 A HA 0.123 4.443 4.320 -0.000 0.000 0.209 1364 A C 1.530 179.122 177.584 0.014 0.000 1.187 1364 A CA 0.272 52.319 52.037 0.018 0.000 0.823 1364 A CB 0.150 19.158 19.000 0.014 0.000 0.846 1364 A HN 0.304 nan 8.150 nan 0.000 0.486 1365 L N -1.505 119.730 121.223 0.021 0.000 2.672 1365 L HA 0.240 4.580 4.340 -0.000 0.000 0.236 1365 L C 1.853 178.719 176.870 -0.007 0.000 1.092 1365 L CA 0.147 54.992 54.840 0.008 0.000 0.887 1365 L CB 0.086 42.159 42.059 0.024 0.000 1.168 1365 L HN 0.302 nan 8.230 nan 0.000 0.502 1366 L N -0.840 120.394 121.223 0.018 0.000 2.356 1366 L HA 0.496 4.836 4.340 -0.000 0.000 0.193 1366 L C 0.910 177.785 176.870 0.010 0.000 1.087 1366 L CA 0.614 55.462 54.840 0.014 0.000 0.817 1366 L CB -0.147 41.957 42.059 0.076 0.000 1.035 1366 L HN 0.266 nan 8.230 nan 0.000 0.482 1367 G N 0.111 108.925 108.800 0.023 0.000 2.357 1367 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.643 1367 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.643 1367 G C -0.405 174.511 174.900 0.027 0.000 1.358 1367 G CA -0.389 44.722 45.100 0.019 0.000 0.986 1367 G HN 0.130 nan 8.290 nan 0.000 0.620 1368 E N -0.558 119.656 120.200 0.023 0.000 2.428 1368 E HA 0.058 4.408 4.350 -0.000 0.000 0.199 1368 E C 1.475 178.093 176.600 0.030 0.000 1.172 1368 E CA 1.022 57.438 56.400 0.025 0.000 0.941 1368 E CB -0.065 29.647 29.700 0.020 0.000 1.001 1368 E HN 0.539 nan 8.360 nan 0.000 0.501 1369 E N -1.237 118.984 120.200 0.035 0.000 2.307 1369 E HA -0.056 4.294 4.350 -0.000 0.000 0.195 1369 E C 1.664 178.298 176.600 0.057 0.000 0.975 1369 E CA 0.419 56.844 56.400 0.041 0.000 0.878 1369 E CB 0.568 30.290 29.700 0.037 0.000 0.845 1369 E HN 0.219 nan 8.360 nan 0.000 0.488 1370 V N -0.186 119.768 119.914 0.066 0.000 2.720 1370 V HA -0.066 4.054 4.120 -0.000 0.000 0.256 1370 V C 1.790 177.926 176.094 0.070 0.000 1.082 1370 V CA 1.388 63.738 62.300 0.084 0.000 1.101 1370 V CB -0.955 30.923 31.823 0.092 0.000 0.693 1370 V HN 0.491 nan 8.190 nan 0.000 0.479 1371 G N -0.097 108.736 108.800 0.055 0.000 2.253 1371 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.251 1371 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.251 1371 G C 0.210 175.135 174.900 0.041 0.000 0.998 1371 G CA 0.139 45.267 45.100 0.047 0.000 0.621 1371 G HN 0.484 nan 8.290 nan 0.000 0.524 1372 L N 2.252 123.501 121.223 0.044 0.000 2.795 1372 L HA 0.045 4.385 4.340 -0.000 0.000 0.290 1372 L C -0.924 175.963 176.870 0.028 0.000 1.206 1372 L CA -0.563 54.298 54.840 0.036 0.000 0.919 1372 L CB -0.138 41.943 42.059 0.037 0.000 1.227 1372 L HN 0.140 nan 8.230 nan 0.000 0.483 1373 P HA -0.067 nan 4.420 nan 0.000 0.272 1373 P C -0.549 176.760 177.300 0.016 0.000 1.248 1373 P CA -0.177 62.934 63.100 0.019 0.000 0.799 1373 P CB 0.397 32.107 31.700 0.016 0.000 0.997 1374 D N 1.155 121.563 120.400 0.013 0.000 2.479 1374 D HA 0.124 4.764 4.640 -0.000 0.000 0.247 1374 D C -0.181 176.123 176.300 0.007 0.000 1.119 1374 D CA -0.128 53.878 54.000 0.010 0.000 0.922 1374 D CB 0.052 40.858 40.800 0.010 0.000 1.014 1374 D HN 0.257 nan 8.370 nan 0.000 0.510 1375 L N 3.065 124.292 121.223 0.006 0.000 2.851 1375 L HA 0.038 4.378 4.340 -0.000 0.000 0.237 1375 L C 2.183 179.054 176.870 0.002 0.000 1.257 1375 L CA -0.168 54.674 54.840 0.003 0.000 1.061 1375 L CB -0.063 41.998 42.059 0.002 0.000 1.372 1375 L HN 0.263 nan 8.230 nan 0.000 0.493 1376 S N -0.454 115.248 115.700 0.003 0.000 2.368 1376 S HA -0.023 4.447 4.470 -0.000 0.000 0.224 1376 S C -0.581 174.019 174.600 0.001 0.000 1.029 1376 S CA 0.489 58.691 58.200 0.003 0.000 0.988 1376 S CB -1.072 62.131 63.200 0.004 0.000 0.838 1376 S HN 0.229 nan 8.310 nan 0.000 0.462 1377 P HA -0.115 nan 4.420 nan 0.000 0.213 1377 P C 1.837 179.136 177.300 -0.002 0.000 1.170 1377 P CA 0.984 64.084 63.100 -0.000 0.000 0.902 1377 P CB -0.187 31.512 31.700 -0.001 0.000 0.789 1378 L N -0.462 120.759 121.223 -0.003 0.000 2.083 1378 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 1378 L C 2.455 179.324 176.870 -0.002 0.000 1.083 1378 L CA 1.723 56.560 54.840 -0.004 0.000 0.752 1378 L CB -0.432 41.624 42.059 -0.006 0.000 0.899 1378 L HN -0.061 nan 8.230 nan 0.000 0.433 1379 K N 0.251 120.651 120.400 -0.001 0.000 1.985 1379 K HA -0.242 4.078 4.320 -0.000 0.000 0.210 1379 K C 1.729 178.330 176.600 0.002 0.000 1.047 1379 K CA 1.980 58.267 56.287 0.000 0.000 0.932 1379 K CB -0.254 32.247 32.500 0.000 0.000 0.716 1379 K HN 0.403 nan 8.250 nan 0.000 0.439 1380 E N 0.565 120.766 120.200 0.001 0.000 2.097 1380 E HA -0.205 4.145 4.350 -0.000 0.000 0.196 1380 E C 2.123 178.725 176.600 0.003 0.000 1.000 1380 E CA 1.336 57.737 56.400 0.002 0.000 0.804 1380 E CB -0.019 29.682 29.700 0.002 0.000 0.740 1380 E HN 0.373 nan 8.360 nan 0.000 0.454 1381 E N 0.976 121.178 120.200 0.003 0.000 2.013 1381 E HA -0.227 4.123 4.350 -0.000 0.000 0.202 1381 E C 2.380 178.986 176.600 0.009 0.000 1.018 1381 E CA 1.110 57.512 56.400 0.004 0.000 0.834 1381 E CB -0.527 29.173 29.700 -0.000 0.000 0.770 1381 E HN 0.289 nan 8.360 nan 0.000 0.459 1382 L N 1.077 122.307 121.223 0.011 0.000 2.021 1382 L HA -0.274 4.066 4.340 -0.000 0.000 0.215 1382 L C 2.504 179.385 176.870 0.017 0.000 1.074 1382 L CA 1.676 56.528 54.840 0.020 0.000 0.760 1382 L CB -0.815 41.255 42.059 0.019 0.000 0.889 1382 L HN 0.202 nan 8.230 nan 0.000 0.433 1383 E N 0.123 120.329 120.200 0.010 0.000 2.108 1383 E HA -0.319 4.031 4.350 -0.000 0.000 0.203 1383 E C 2.176 178.780 176.600 0.008 0.000 1.022 1383 E CA 1.608 58.012 56.400 0.006 0.000 0.823 1383 E CB -0.277 29.425 29.700 0.003 0.000 0.744 1383 E HN 0.609 nan 8.360 nan 0.000 0.456 1384 A N 1.505 124.331 122.820 0.009 0.000 1.826 1384 A HA 0.092 4.412 4.320 -0.000 0.000 0.214 1384 A C 2.387 179.979 177.584 0.015 0.000 1.212 1384 A CA 1.243 53.285 52.037 0.009 0.000 0.605 1384 A CB -0.843 18.162 19.000 0.008 0.000 0.861 1384 A HN 0.277 nan 8.150 nan 0.000 0.447 1385 A N -1.215 121.618 122.820 0.021 0.000 2.285 1385 A HA 0.264 4.584 4.320 -0.000 0.000 0.214 1385 A C 0.740 178.350 177.584 0.043 0.000 1.188 1385 A CA 0.779 52.836 52.037 0.033 0.000 0.707 1385 A CB -0.633 18.391 19.000 0.040 0.000 0.771 1385 A HN 0.413 nan 8.150 nan 0.000 0.488 1386 L N -1.080 120.161 121.223 0.030 0.000 2.354 1386 L HA 0.418 4.758 4.340 -0.000 0.000 0.264 1386 L C -0.719 176.155 176.870 0.007 0.000 1.008 1386 L CA -1.079 53.777 54.840 0.026 0.000 0.819 1386 L CB 2.354 44.433 42.059 0.034 0.000 1.339 1386 L HN -0.122 nan 8.230 nan 0.000 0.420 1387 V N 1.498 121.409 119.914 -0.005 0.000 2.530 1387 V HA 0.054 4.174 4.120 -0.000 0.000 0.282 1387 V C 1.088 177.173 176.094 -0.016 0.000 1.048 1387 V CA -0.127 62.164 62.300 -0.014 0.000 0.997 1387 V CB 1.142 32.949 31.823 -0.027 0.000 0.987 1387 V HN 0.819 nan 8.190 nan 0.000 0.477 1388 E N 2.032 122.223 120.200 -0.014 0.000 2.324 1388 E HA -0.216 4.134 4.350 -0.000 0.000 0.205 1388 E C -0.002 176.585 176.600 -0.021 0.000 1.031 1388 E CA 1.374 57.764 56.400 -0.016 0.000 0.836 1388 E CB 0.103 29.794 29.700 -0.015 0.000 0.742 1388 E HN 0.691 nan 8.360 nan 0.000 0.491 1389 D N 0.235 120.619 120.400 -0.025 0.000 2.517 1389 D HA 0.108 4.748 4.640 -0.000 0.000 0.263 1389 D C -2.571 173.705 176.300 -0.040 0.000 1.233 1389 D CA -1.113 52.869 54.000 -0.031 0.000 0.849 1389 D CB 1.212 41.994 40.800 -0.030 0.000 1.261 1389 D HN 0.023 nan 8.370 nan 0.000 0.516 1390 P HA 0.085 nan 4.420 nan 0.000 0.258 1390 P C -2.451 174.801 177.300 -0.080 0.000 1.187 1390 P CA -0.542 62.518 63.100 -0.068 0.000 0.767 1390 P CB 0.429 32.096 31.700 -0.056 0.000 0.770 1499 E N 0.907 121.124 120.200 0.029 0.000 2.160 1499 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 1499 E C 1.204 177.855 176.600 0.085 0.000 0.991 1499 E CA 1.673 58.095 56.400 0.038 0.000 0.810 1499 E CB 0.065 29.768 29.700 0.005 0.000 0.742 1499 E HN 0.510 nan 8.360 nan 0.000 0.466 1500 E N 0.104 120.354 120.200 0.084 0.000 2.158 1500 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 1500 E C 1.683 178.372 176.600 0.149 0.000 0.982 1500 E CA 0.874 57.365 56.400 0.152 0.000 0.823 1500 E CB 0.149 29.909 29.700 0.100 0.000 0.766 1500 E HN 0.331 nan 8.360 nan 0.000 0.468 1501 E N -0.126 120.124 120.200 0.082 0.000 2.150 1501 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 1501 E C 2.054 178.683 176.600 0.048 0.000 0.985 1501 E CA 1.092 57.522 56.400 0.050 0.000 0.814 1501 E CB 0.251 29.969 29.700 0.030 0.000 0.752 1501 E HN 0.158 nan 8.360 nan 0.000 0.466 1502 V N 0.978 120.936 119.914 0.073 0.000 2.788 1502 V HA -0.159 3.961 4.120 -0.000 0.000 0.251 1502 V C 1.832 177.991 176.094 0.108 0.000 1.068 1502 V CA 1.016 63.357 62.300 0.069 0.000 1.090 1502 V CB -0.395 31.467 31.823 0.065 0.000 0.710 1502 V HN 0.220 nan 8.190 nan 0.000 0.467 1503 F N 1.220 121.164 119.950 -0.009 0.000 2.075 1503 F HA -0.143 4.384 4.527 -0.000 0.000 0.297 1503 F C 1.820 177.614 175.800 -0.010 0.000 1.113 1503 F CA 1.709 59.703 58.000 -0.010 0.000 1.218 1503 F CB -0.476 38.517 39.000 -0.011 0.000 0.984 1503 F HN 0.091 nan 8.300 nan 0.000 0.472 1504 L N 0.708 121.720 121.223 -0.351 0.000 2.275 1504 L HA -0.102 4.238 4.340 -0.000 0.000 0.215 1504 L C 2.241 178.968 176.870 -0.238 0.000 1.119 1504 L CA 1.336 55.916 54.840 -0.433 0.000 0.790 1504 L CB -1.075 40.847 42.059 -0.228 0.000 0.919 1504 L HN 0.226 nan 8.230 nan 0.000 0.443 1505 E N -0.841 119.281 120.200 -0.130 0.000 2.106 1505 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 1505 E C 2.214 178.763 176.600 -0.085 0.000 0.984 1505 E CA 1.172 57.524 56.400 -0.080 0.000 0.806 1505 E CB -0.002 29.677 29.700 -0.035 0.000 0.750 1505 E HN 0.316 nan 8.360 nan 0.000 0.458 1506 V N 1.419 121.278 119.914 -0.092 0.000 2.379 1506 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 1506 V C 2.455 178.484 176.094 -0.109 0.000 1.044 1506 V CA 1.732 63.992 62.300 -0.068 0.000 1.036 1506 V CB -0.598 31.214 31.823 -0.019 0.000 0.664 1506 V HN 0.234 nan 8.190 nan 0.000 0.453 1507 R N 0.729 121.102 120.500 -0.212 0.000 2.097 1507 R HA -0.301 4.039 4.340 -0.000 0.000 0.236 1507 R C 2.274 178.489 176.300 -0.142 0.000 1.135 1507 R CA 2.562 58.527 56.100 -0.224 0.000 0.934 1507 R CB -0.445 29.616 30.300 -0.398 0.000 0.846 1507 R HN 0.502 nan 8.270 nan 0.000 0.431 1508 E N 0.496 120.612 120.200 -0.138 0.000 2.070 1508 E HA -0.206 4.144 4.350 -0.000 0.000 0.197 1508 E C 2.129 178.691 176.600 -0.065 0.000 1.004 1508 E CA 2.058 58.403 56.400 -0.092 0.000 0.805 1508 E CB -0.110 29.542 29.700 -0.081 0.000 0.744 1508 E HN 0.411 nan 8.360 nan 0.000 0.451 1509 R N -0.239 120.225 120.500 -0.059 0.000 2.127 1509 R HA -0.131 4.209 4.340 -0.000 0.000 0.238 1509 R C 2.294 178.573 176.300 -0.035 0.000 1.134 1509 R CA 1.202 57.278 56.100 -0.040 0.000 0.975 1509 R CB -0.393 29.888 30.300 -0.033 0.000 0.865 1509 R HN 0.233 nan 8.270 nan 0.000 0.447 1510 A N 1.577 124.370 122.820 -0.044 0.000 1.835 1510 A HA -0.149 4.171 4.320 -0.000 0.000 0.213 1510 A C 1.967 179.530 177.584 -0.034 0.000 1.210 1510 A CA 1.127 53.142 52.037 -0.035 0.000 0.605 1510 A CB -0.419 18.558 19.000 -0.039 0.000 0.860 1510 A HN 0.206 nan 8.150 nan 0.000 0.447 1511 K N 0.012 120.385 120.400 -0.046 0.000 2.520 1511 K HA -0.132 4.188 4.320 -0.000 0.000 0.197 1511 K C 1.558 178.140 176.600 -0.030 0.000 1.044 1511 K CA 0.951 57.214 56.287 -0.040 0.000 0.938 1511 K CB -0.176 32.292 32.500 -0.053 0.000 0.767 1511 K HN 0.433 nan 8.250 nan 0.000 0.481 1512 R N -0.046 120.437 120.500 -0.028 0.000 2.323 1512 R HA 0.014 4.354 4.340 -0.000 0.000 0.198 1512 R C 0.421 176.712 176.300 -0.014 0.000 0.988 1512 R CA 0.484 56.572 56.100 -0.021 0.000 1.041 1512 R CB 0.306 30.594 30.300 -0.020 0.000 0.926 1512 R HN 0.219 nan 8.270 nan 0.000 0.476 1513 Q N -0.760 119.032 119.800 -0.014 0.000 2.233 1513 Q HA 0.276 4.616 4.340 -0.000 0.000 0.340 1513 Q C 0.546 176.541 176.000 -0.008 0.000 0.899 1513 Q CA -0.081 55.717 55.803 -0.009 0.000 1.139 1513 Q CB 1.515 30.248 28.738 -0.008 0.000 1.273 1513 Q HN 0.168 nan 8.270 nan 0.000 0.431 1514 A N 0.832 123.646 122.820 -0.010 0.000 1.877 1514 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 1514 A C 1.852 179.435 177.584 -0.003 0.000 1.186 1514 A CA 1.366 53.397 52.037 -0.009 0.000 0.620 1514 A CB 0.117 19.111 19.000 -0.011 0.000 0.822 1514 A HN 0.172 nan 8.150 nan 0.000 0.443 1515 E N -0.159 120.042 120.200 0.002 0.000 2.051 1515 E HA 0.035 4.385 4.350 -0.000 0.000 0.189 1515 E C 2.282 178.887 176.600 0.009 0.000 0.979 1515 E CA 1.118 57.523 56.400 0.008 0.000 0.803 1515 E CB -0.957 28.751 29.700 0.013 0.000 0.761 1515 E HN 0.524 nan 8.360 nan 0.000 0.451 1516 A N 1.339 124.163 122.820 0.007 0.000 2.084 1516 A HA -0.165 4.155 4.320 -0.000 0.000 0.221 1516 A C 2.270 179.858 177.584 0.006 0.000 1.161 1516 A CA 1.062 53.104 52.037 0.009 0.000 0.653 1516 A CB -0.609 18.395 19.000 0.006 0.000 0.802 1516 A HN 0.162 nan 8.150 nan 0.000 0.457 1517 L N -1.688 119.536 121.223 0.002 0.000 2.034 1517 L HA -0.088 4.252 4.340 -0.000 0.000 0.203 1517 L C 2.816 179.686 176.870 -0.001 0.000 1.074 1517 L CA 1.135 55.974 54.840 -0.002 0.000 0.748 1517 L CB -0.517 41.538 42.059 -0.006 0.000 0.905 1517 L HN 0.321 nan 8.230 nan 0.000 0.439 1518 R N 0.125 120.626 120.500 0.001 0.000 2.117 1518 R HA -0.270 4.070 4.340 -0.000 0.000 0.243 1518 R C 2.099 178.404 176.300 0.008 0.000 1.143 1518 R CA 1.879 57.981 56.100 0.003 0.000 0.968 1518 R CB -0.338 29.968 30.300 0.009 0.000 0.863 1518 R HN 0.357 nan 8.270 nan 0.000 0.444 1519 E N 0.962 121.169 120.200 0.013 0.000 2.049 1519 E HA -0.234 4.116 4.350 -0.000 0.000 0.198 1519 E C 1.835 178.445 176.600 0.016 0.000 1.007 1519 E CA 1.813 58.225 56.400 0.019 0.000 0.809 1519 E CB -0.221 29.492 29.700 0.021 0.000 0.749 1519 E HN 0.318 nan 8.360 nan 0.000 0.450 1520 A N 1.339 124.165 122.820 0.010 0.000 1.841 1520 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 1520 A C 2.594 180.176 177.584 -0.003 0.000 1.199 1520 A CA 2.862 54.903 52.037 0.006 0.000 0.621 1520 A CB -1.636 17.366 19.000 0.002 0.000 0.835 1520 A HN 0.522 nan 8.150 nan 0.000 0.445 1521 A N -0.320 122.494 122.820 -0.011 0.000 1.894 1521 A HA -0.346 3.974 4.320 -0.000 0.000 0.220 1521 A C 2.264 179.830 177.584 -0.030 0.000 1.237 1521 A CA 2.812 54.835 52.037 -0.024 0.000 0.660 1521 A CB -0.820 18.166 19.000 -0.024 0.000 0.835 1521 A HN 0.640 nan 8.150 nan 0.000 0.461 1522 R N -0.394 120.098 120.500 -0.014 0.000 2.113 1522 R HA -0.150 4.190 4.340 -0.000 0.000 0.231 1522 R C 2.094 178.389 176.300 -0.008 0.000 1.129 1522 R CA 2.257 58.353 56.100 -0.007 0.000 0.915 1522 R CB -0.554 29.759 30.300 0.020 0.000 0.837 1522 R HN 0.566 nan 8.270 nan 0.000 0.430 1523 I N 1.141 121.720 120.570 0.015 0.000 2.399 1523 I HA -0.306 3.864 4.170 -0.000 0.000 0.254 1523 I C 2.146 178.267 176.117 0.006 0.000 1.146 1523 I CA 1.032 62.350 61.300 0.031 0.000 1.412 1523 I CB -0.235 37.793 38.000 0.045 0.000 1.076 1523 I HN 0.331 nan 8.210 nan 0.000 0.432 1524 L N 0.376 121.587 121.223 -0.020 0.000 2.034 1524 L HA -0.094 4.246 4.340 -0.000 0.000 0.203 1524 L C 2.959 179.770 176.870 -0.100 0.000 1.074 1524 L CA 1.169 55.984 54.840 -0.041 0.000 0.748 1524 L CB -0.830 41.208 42.059 -0.036 0.000 0.905 1524 L HN 0.180 nan 8.230 nan 0.000 0.439 1525 A N 0.152 122.898 122.820 -0.123 0.000 1.940 1525 A HA -0.308 4.012 4.320 -0.000 0.000 0.221 1525 A C 2.082 179.476 177.584 -0.317 0.000 1.190 1525 A CA 2.191 54.108 52.037 -0.200 0.000 0.647 1525 A CB -0.682 18.201 19.000 -0.195 0.000 0.821 1525 A HN 0.504 nan 8.150 nan 0.000 0.457 1526 E N -0.689 119.328 120.200 -0.305 0.000 2.026 1526 E HA -0.260 4.090 4.350 -0.000 0.000 0.206 1526 E C 1.915 178.212 176.600 -0.505 0.000 1.028 1526 E CA 1.659 57.754 56.400 -0.509 0.000 0.845 1526 E CB -0.439 29.145 29.700 -0.192 0.000 0.772 1526 E HN 0.527 nan 8.360 nan 0.000 0.462 1527 L N 1.327 122.438 121.223 -0.186 0.000 2.021 1527 L HA -0.273 4.067 4.340 -0.000 0.000 0.215 1527 L C 2.267 178.932 176.870 -0.342 0.000 1.074 1527 L CA 1.895 56.612 54.840 -0.205 0.000 0.760 1527 L CB -0.749 41.224 42.059 -0.143 0.000 0.889 1527 L HN 0.177 nan 8.230 nan 0.000 0.433 1528 D N -0.300 119.935 120.400 -0.276 0.000 2.127 1528 D HA -0.189 4.451 4.640 -0.000 0.000 0.190 1528 D C 2.112 178.241 176.300 -0.285 0.000 1.000 1528 D CA 1.861 55.711 54.000 -0.250 0.000 0.839 1528 D CB -0.109 40.569 40.800 -0.204 0.000 0.955 1528 D HN 0.092 nan 8.370 nan 0.000 0.446 1529 V N -0.310 119.387 119.914 -0.363 0.000 2.244 1529 V HA -0.239 3.881 4.120 -0.000 0.000 0.244 1529 V C 2.328 178.287 176.094 -0.225 0.000 1.042 1529 V CA 1.796 63.877 62.300 -0.366 0.000 1.006 1529 V CB -1.029 30.420 31.823 -0.624 0.000 0.641 1529 V HN 0.334 nan 8.190 nan 0.000 0.446 1530 Y N 0.352 120.523 120.300 -0.215 0.000 2.181 1530 Y HA -0.336 4.214 4.550 -0.000 0.000 0.284 1530 Y C 2.511 178.265 175.900 -0.244 0.000 1.179 1530 Y CA 1.067 59.081 58.100 -0.143 0.000 1.179 1530 Y CB -0.243 38.147 38.460 -0.116 0.000 0.973 1530 Y HN 0.302 nan 8.280 nan 0.000 0.519 1531 A N -0.509 122.144 122.820 -0.277 0.000 1.943 1531 A HA 0.107 4.427 4.320 -0.000 0.000 0.213 1531 A C 2.278 179.748 177.584 -0.191 0.000 1.181 1531 A CA 0.841 52.668 52.037 -0.351 0.000 0.653 1531 A CB -0.944 17.659 19.000 -0.662 0.000 0.833 1531 A HN 0.361 nan 8.150 nan 0.000 0.451 1532 A N 0.662 123.364 122.820 -0.196 0.000 1.837 1532 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 1532 A C 2.096 179.594 177.584 -0.143 0.000 1.210 1532 A CA 1.777 53.712 52.037 -0.169 0.000 0.632 1532 A CB -1.140 17.753 19.000 -0.179 0.000 0.843 1532 A HN 0.467 nan 8.150 nan 0.000 0.448 1533 L N -0.814 120.351 121.223 -0.097 0.000 1.965 1533 L HA -0.339 4.001 4.340 -0.000 0.000 0.226 1533 L C 3.090 179.904 176.870 -0.094 0.000 1.083 1533 L CA 1.894 56.708 54.840 -0.042 0.000 0.790 1533 L CB -1.009 41.082 42.059 0.054 0.000 0.898 1533 L HN 0.514 nan 8.230 nan 0.000 0.439 1534 A N -0.206 122.546 122.820 -0.113 0.000 1.944 1534 A HA -0.395 3.925 4.320 -0.000 0.000 0.222 1534 A C 2.134 179.614 177.584 -0.173 0.000 1.237 1534 A CA 2.596 54.520 52.037 -0.188 0.000 0.668 1534 A CB -0.855 18.076 19.000 -0.115 0.000 0.830 1534 A HN 0.585 nan 8.150 nan 0.000 0.471 1535 E N -0.232 119.876 120.200 -0.153 0.000 2.021 1535 E HA -0.152 4.198 4.350 -0.000 0.000 0.200 1535 E C 1.799 178.234 176.600 -0.275 0.000 1.015 1535 E CA 1.868 58.160 56.400 -0.180 0.000 0.824 1535 E CB -0.921 28.674 29.700 -0.175 0.000 0.762 1535 E HN 0.232 nan 8.360 nan 0.000 0.454 1536 V N 1.207 120.935 119.914 -0.310 0.000 2.223 1536 V HA -0.413 3.707 4.120 -0.000 0.000 0.253 1536 V C 2.400 178.192 176.094 -0.505 0.000 1.061 1536 V CA 2.899 64.920 62.300 -0.465 0.000 1.035 1536 V CB -1.392 30.277 31.823 -0.257 0.000 0.653 1536 V HN 0.585 nan 8.190 nan 0.000 0.454 1537 A N -0.554 122.087 122.820 -0.298 0.000 1.893 1537 A HA -0.305 4.015 4.320 -0.000 0.000 0.222 1537 A C 2.297 179.772 177.584 -0.183 0.000 1.309 1537 A CA 3.397 55.325 52.037 -0.181 0.000 0.681 1537 A CB -1.244 17.734 19.000 -0.036 0.000 0.842 1537 A HN 0.454 nan 8.150 nan 0.000 0.468 1538 V N -0.030 119.793 119.914 -0.153 0.000 2.287 1538 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 1538 V C 2.654 178.667 176.094 -0.134 0.000 1.053 1538 V CA 2.474 64.718 62.300 -0.094 0.000 1.027 1538 V CB -0.946 30.825 31.823 -0.087 0.000 0.646 1538 V HN 0.671 nan 8.190 nan 0.000 0.447 1539 R N -1.060 119.280 120.500 -0.267 0.000 2.120 1539 R HA -0.165 4.175 4.340 -0.000 0.000 0.234 1539 R C 1.730 177.922 176.300 -0.180 0.000 1.123 1539 R CA 1.697 57.603 56.100 -0.324 0.000 0.975 1539 R CB -0.027 29.918 30.300 -0.592 0.000 0.866 1539 R HN 0.574 nan 8.270 nan 0.000 0.446 1540 Y N -1.107 119.004 120.300 -0.315 0.000 2.481 1540 Y HA 0.357 4.907 4.550 -0.000 0.000 0.247 1540 Y C 0.707 176.486 175.900 -0.203 0.000 1.151 1540 Y CA -0.380 57.511 58.100 -0.348 0.000 1.238 1540 Y CB 0.815 38.890 38.460 -0.642 0.000 1.179 1540 Y HN 0.222 nan 8.280 nan 0.000 0.524 1541 G N 0.707 109.537 108.800 0.050 0.000 2.368 1541 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.290 1541 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.290 1541 G C -0.921 174.245 174.900 0.443 0.000 1.098 1541 G CA -0.464 44.753 45.100 0.195 0.000 1.073 1541 G HN 0.108 nan 8.290 nan 0.000 0.511 1542 Y N -0.656 119.768 120.300 0.206 0.000 2.328 1542 Y HA 0.517 5.067 4.550 -0.000 0.000 0.337 1542 Y C 0.790 176.917 175.900 0.378 0.000 1.008 1542 Y CA -1.883 56.373 58.100 0.261 0.000 1.129 1542 Y CB 1.750 40.375 38.460 0.275 0.000 1.185 1542 Y HN 0.193 nan 8.280 nan 0.000 0.476 1543 V N 4.742 124.840 119.914 0.308 0.000 2.432 1543 V HA 0.297 4.417 4.120 -0.000 0.000 0.275 1543 V C 0.522 176.380 176.094 -0.393 0.000 1.043 1543 V CA -1.207 61.118 62.300 0.041 0.000 0.925 1543 V CB 0.969 32.781 31.823 -0.018 0.000 0.985 1543 V HN 0.645 nan 8.190 nan 0.000 0.466 1544 R N 7.572 127.387 120.500 -1.142 0.000 2.446 1544 R HA 0.117 4.457 4.340 -0.000 0.000 0.325 1544 R C -2.127 173.766 176.300 -0.679 0.000 0.997 1544 R CA -0.979 54.109 56.100 -1.686 0.000 1.010 1544 R CB 0.429 29.718 30.300 -1.686 0.000 0.946 1544 R HN 0.539 nan 8.270 nan 0.000 0.422 1545 P HA 0.068 nan 4.420 nan 0.000 0.271 1545 P C -1.042 175.912 177.300 -0.576 0.000 1.218 1545 P CA -0.034 62.788 63.100 -0.463 0.000 0.780 1545 P CB 0.815 32.225 31.700 -0.482 0.000 0.901 1546 R N 2.514 122.724 120.500 -0.483 0.000 2.393 1546 R HA 0.452 4.792 4.340 -0.000 0.000 0.315 1546 R C -0.189 175.771 176.300 -0.566 0.000 0.952 1546 R CA -0.762 55.059 56.100 -0.465 0.000 0.842 1546 R CB 0.412 30.526 30.300 -0.310 0.000 1.163 1546 R HN 0.433 nan 8.270 nan 0.000 0.450 1547 F N 0.179 120.018 119.950 -0.185 0.000 2.371 1547 F HA 0.648 5.175 4.527 -0.000 0.000 0.329 1547 F C 1.495 177.177 175.800 -0.198 0.000 1.107 1547 F CA 0.230 58.120 58.000 -0.183 0.000 1.137 1547 F CB 1.457 40.367 39.000 -0.149 0.000 1.214 1547 F HN 0.622 nan 8.300 nan 0.000 0.536 1548 G N 0.734 109.555 108.800 0.035 0.000 2.619 1548 G HA2 0.167 4.127 3.960 -0.000 0.000 0.146 1548 G HA3 0.167 4.127 3.960 -0.000 0.000 0.146 1548 G C -1.163 173.745 174.900 0.014 0.000 1.192 1548 G CA -0.256 44.836 45.100 -0.012 0.000 1.063 1548 G HN 0.465 nan 8.290 nan 0.000 0.538 1549 D N -0.292 120.131 120.400 0.038 0.000 2.527 1549 D HA 0.271 4.911 4.640 -0.000 0.000 0.224 1549 D C 0.475 176.847 176.300 0.120 0.000 1.217 1549 D CA -0.031 54.026 54.000 0.094 0.000 0.819 1549 D CB 0.388 41.270 40.800 0.136 0.000 1.061 1549 D HN 0.356 nan 8.370 nan 0.000 0.515 1550 R N 0.155 120.709 120.500 0.091 0.000 2.740 1550 R HA 0.511 4.851 4.340 -0.000 0.000 0.282 1550 R C -0.905 175.455 176.300 0.100 0.000 0.969 1550 R CA -0.937 55.241 56.100 0.130 0.000 0.918 1550 R CB 2.333 32.709 30.300 0.126 0.000 1.175 1550 R HN 0.015 nan 8.270 nan 0.000 0.464 1551 L N 2.809 124.114 121.223 0.136 0.000 2.277 1551 L HA 0.329 4.669 4.340 -0.000 0.000 0.284 1551 L C -0.961 175.961 176.870 0.087 0.000 1.028 1551 L CA -0.222 54.669 54.840 0.084 0.000 0.835 1551 L CB 0.892 43.035 42.059 0.139 0.000 1.215 1551 L HN 0.602 nan 8.230 nan 0.000 0.425 1552 Q N 6.197 126.025 119.800 0.047 0.000 2.310 1552 Q HA 0.494 4.834 4.340 -0.000 0.000 0.270 1552 Q C -1.097 174.875 176.000 -0.046 0.000 1.025 1552 Q CA -0.429 55.371 55.803 -0.005 0.000 0.772 1552 Q CB 3.053 31.745 28.738 -0.077 0.000 1.253 1552 Q HN 0.625 nan 8.270 nan 0.000 0.450 1553 I N 2.719 123.282 120.570 -0.012 0.000 2.428 1553 I HA 0.293 4.463 4.170 -0.000 0.000 0.279 1553 I C -0.188 175.926 176.117 -0.006 0.000 1.040 1553 I CA -0.678 60.613 61.300 -0.015 0.000 1.171 1553 I CB 1.018 39.025 38.000 0.012 0.000 1.312 1553 I HN 0.317 nan 8.210 nan 0.000 0.470 1554 R N 6.449 126.924 120.500 -0.041 0.000 2.351 1554 R HA 0.415 4.755 4.340 -0.000 0.000 0.321 1554 R C 0.547 176.850 176.300 0.005 0.000 1.182 1554 R CA 0.375 56.459 56.100 -0.027 0.000 1.011 1554 R CB -0.114 30.151 30.300 -0.058 0.000 1.048 1554 R HN 0.781 nan 8.270 nan 0.000 0.490 1555 A N 3.113 125.949 122.820 0.027 0.000 2.360 1555 A HA -0.122 4.198 4.320 -0.000 0.000 0.289 1555 A C 0.539 178.162 177.584 0.065 0.000 1.437 1555 A CA 0.732 52.795 52.037 0.043 0.000 0.734 1555 A CB -1.890 17.133 19.000 0.038 0.000 1.145 1555 A HN 0.905 nan 8.150 nan 0.000 0.374 1556 G N -0.225 108.621 108.800 0.077 0.000 2.557 1556 G HA2 0.710 4.670 3.960 -0.000 0.000 0.292 1556 G HA3 0.710 4.670 3.960 -0.000 0.000 0.292 1556 G C 0.022 175.037 174.900 0.191 0.000 1.237 1556 G CA -0.461 44.696 45.100 0.096 0.000 0.978 1556 G HN 0.933 nan 8.290 nan 0.000 0.498 1557 R N -2.093 118.562 120.500 0.258 0.000 2.764 1557 R HA 0.268 4.608 4.340 -0.000 0.000 0.270 1557 R C -1.526 174.987 176.300 0.355 0.000 1.014 1557 R CA -0.975 55.474 56.100 0.582 0.000 0.904 1557 R CB 1.561 32.164 30.300 0.505 0.000 1.236 1557 R HN 0.627 nan 8.270 nan 0.000 0.466 1558 H N 4.069 123.168 119.070 0.049 0.000 2.908 1558 H HA 0.191 4.747 4.556 -0.000 0.000 0.269 1558 H C -1.598 173.536 175.328 -0.323 0.000 1.303 1558 H CA -2.379 53.549 56.048 -0.200 0.000 1.341 1558 H CB 0.878 30.488 29.762 -0.253 0.000 1.519 1558 H HN 0.268 nan 8.280 nan 0.000 0.505 1559 P HA -0.265 nan 4.420 nan 0.000 0.218 1559 P C 1.065 178.189 177.300 -0.294 0.000 1.147 1559 P CA 1.269 64.273 63.100 -0.159 0.000 0.827 1559 P CB 0.465 32.129 31.700 -0.061 0.000 0.778 1560 V N 0.243 119.825 119.914 -0.553 0.000 2.231 1560 V HA -0.159 3.961 4.120 -0.000 0.000 0.240 1560 V C 2.842 178.702 176.094 -0.392 0.000 1.039 1560 V CA 1.806 63.818 62.300 -0.481 0.000 0.998 1560 V CB -1.527 29.920 31.823 -0.627 0.000 0.639 1560 V HN -0.077 nan 8.190 nan 0.000 0.451 1561 V N 0.456 120.118 119.914 -0.419 0.000 2.759 1561 V HA -0.227 3.893 4.120 -0.000 0.000 0.256 1561 V C 2.502 178.351 176.094 -0.409 0.000 1.080 1561 V CA 1.922 64.062 62.300 -0.267 0.000 1.101 1561 V CB -0.731 31.040 31.823 -0.087 0.000 0.698 1561 V HN 0.703 nan 8.190 nan 0.000 0.477 1562 E N 0.810 120.662 120.200 -0.581 0.000 2.130 1562 E HA -0.234 4.115 4.350 -0.000 0.000 0.196 1562 E C 1.435 177.857 176.600 -0.297 0.000 0.998 1562 E CA 0.906 57.008 56.400 -0.497 0.000 0.806 1562 E CB 0.076 29.546 29.700 -0.383 0.000 0.738 1562 E HN 0.436 nan 8.360 nan 0.000 0.459 1563 R N 0.558 120.869 120.500 -0.314 0.000 3.298 1563 R HA 0.123 4.463 4.340 -0.000 0.000 0.249 1563 R C 0.420 176.619 176.300 -0.168 0.000 1.563 1563 R CA 0.141 56.068 56.100 -0.289 0.000 1.378 1563 R CB 0.116 30.203 30.300 -0.354 0.000 1.250 1563 R HN 0.153 nan 8.270 nan 0.000 0.580 1564 R N -0.755 119.667 120.500 -0.130 0.000 2.532 1564 R HA 0.132 4.472 4.340 -0.000 0.000 0.312 1564 R C -0.104 176.175 176.300 -0.035 0.000 0.923 1564 R CA 0.288 56.344 56.100 -0.073 0.000 1.115 1564 R CB 0.968 31.227 30.300 -0.068 0.000 1.703 1564 R HN 0.277 nan 8.270 nan 0.000 0.498 1565 T N -2.046 112.495 114.554 -0.023 0.000 2.676 1565 T HA 0.197 4.547 4.350 -0.000 0.000 0.308 1565 T C -0.741 174.004 174.700 0.075 0.000 1.740 1565 T CA -0.928 61.189 62.100 0.029 0.000 0.982 1565 T CB 1.665 70.565 68.868 0.052 0.000 1.724 1565 T HN -0.102 nan 8.240 nan 0.000 0.497 1566 E N 0.027 120.285 120.200 0.097 0.000 2.442 1566 E HA 0.317 4.667 4.350 -0.000 0.000 0.262 1566 E C -1.409 175.341 176.600 0.251 0.000 1.004 1566 E CA 0.190 56.669 56.400 0.132 0.000 0.928 1566 E CB 0.360 30.117 29.700 0.094 0.000 0.937 1566 E HN 0.464 nan 8.360 nan 0.000 0.446 1567 F N 3.567 123.540 119.950 0.039 0.000 2.610 1567 F HA 0.177 4.704 4.527 -0.000 0.000 0.355 1567 F C -0.818 175.022 175.800 0.067 0.000 1.140 1567 F CA -0.889 57.140 58.000 0.048 0.000 1.037 1567 F CB 0.852 39.871 39.000 0.032 0.000 1.287 1567 F HN 0.073 nan 8.300 nan 0.000 0.457 1568 V N 8.393 128.190 119.914 -0.195 0.000 2.425 1568 V HA 0.150 4.270 4.120 -0.000 0.000 0.276 1568 V C -1.594 174.256 176.094 -0.407 0.000 1.017 1568 V CA -1.066 61.123 62.300 -0.185 0.000 1.062 1568 V CB -0.581 31.201 31.823 -0.068 0.000 0.997 1568 V HN 0.551 nan 8.190 nan 0.000 0.476 1569 P HA 0.174 nan 4.420 nan 0.000 0.274 1569 P C -0.512 176.729 177.300 -0.099 0.000 1.264 1569 P CA -0.189 62.820 63.100 -0.152 0.000 0.795 1569 P CB 1.007 32.711 31.700 0.007 0.000 1.064 1570 N N -1.134 117.568 118.700 0.003 0.000 2.972 1570 N HA 0.327 5.067 4.740 -0.000 0.000 0.262 1570 N C -1.285 174.292 175.510 0.112 0.000 1.478 1570 N CA -0.344 52.747 53.050 0.068 0.000 0.841 1570 N CB 1.608 40.200 38.487 0.174 0.000 1.512 1570 N HN 0.413 nan 8.380 nan 0.000 0.548 1571 D N 0.563 121.040 120.400 0.128 0.000 2.490 1571 D HA 0.665 5.305 4.640 -0.000 0.000 0.232 1571 D C -0.914 175.496 176.300 0.183 0.000 1.053 1571 D CA -0.239 53.830 54.000 0.115 0.000 0.914 1571 D CB 2.862 43.696 40.800 0.056 0.000 1.431 1571 D HN 0.262 nan 8.370 nan 0.000 0.483 1572 L N 0.532 121.842 121.223 0.146 0.000 2.592 1572 L HA 0.313 4.653 4.340 -0.000 0.000 0.258 1572 L C -1.406 175.535 176.870 0.119 0.000 0.926 1572 L CA -0.164 54.784 54.840 0.180 0.000 0.885 1572 L CB 2.164 44.371 42.059 0.247 0.000 1.380 1572 L HN 0.385 nan 8.230 nan 0.000 0.415 1576 H N -0.520 118.020 119.070 -0.883 0.000 2.899 1576 H HA -0.160 4.396 4.556 -0.000 0.000 0.282 1576 H C 0.263 175.445 175.328 -0.244 0.000 1.198 1576 H CA 1.906 57.518 56.048 -0.727 0.000 1.140 1576 H CB -1.428 28.076 29.762 -0.429 0.000 1.317 1576 H HN 0.908 nan 8.280 nan 0.000 0.375 1577 E N 0.449 120.627 120.200 -0.036 0.000 2.284 1577 E HA 0.645 4.995 4.350 -0.000 0.000 0.255 1577 E C 0.423 177.091 176.600 0.114 0.000 1.052 1577 E CA -1.023 55.424 56.400 0.078 0.000 0.904 1577 E CB 1.971 31.720 29.700 0.082 0.000 1.217 1577 E HN 0.137 nan 8.360 nan 0.000 0.438 1578 L N 1.378 122.674 121.223 0.122 0.000 2.298 1578 L HA 0.403 4.743 4.340 -0.000 0.000 0.284 1578 L C -1.557 175.363 176.870 0.083 0.000 1.013 1578 L CA -0.840 54.072 54.840 0.119 0.000 0.824 1578 L CB 1.000 43.114 42.059 0.092 0.000 1.221 1578 L HN 0.275 nan 8.230 nan 0.000 0.418 1579 V N 6.387 126.374 119.914 0.122 0.000 2.293 1579 V HA 0.318 4.438 4.120 -0.000 0.000 0.275 1579 V C 0.442 176.606 176.094 0.116 0.000 1.021 1579 V CA -0.556 61.810 62.300 0.111 0.000 0.815 1579 V CB 1.057 32.971 31.823 0.152 0.000 1.025 1579 V HN 0.681 nan 8.190 nan 0.000 0.448 1580 L N 5.037 126.281 121.223 0.035 0.000 2.473 1580 L HA 0.408 4.748 4.340 -0.000 0.000 0.268 1580 L C -0.217 176.698 176.870 0.074 0.000 1.215 1580 L CA -0.023 54.818 54.840 0.001 0.000 0.823 1580 L CB 0.510 42.498 42.059 -0.119 0.000 1.099 1580 L HN 0.412 nan 8.230 nan 0.000 0.483 1581 I N 1.406 122.035 120.570 0.098 0.000 2.517 1581 I HA 0.211 4.381 4.170 -0.000 0.000 0.280 1581 I C 0.231 176.399 176.117 0.084 0.000 1.061 1581 I CA -0.161 61.197 61.300 0.096 0.000 1.091 1581 I CB 1.231 39.312 38.000 0.134 0.000 1.205 1581 I HN 0.686 nan 8.210 nan 0.000 0.459 1582 T N 1.649 116.258 114.554 0.091 0.000 2.893 1582 T HA 0.932 5.282 4.350 -0.000 0.000 0.281 1582 T C 0.512 175.293 174.700 0.135 0.000 1.027 1582 T CA -0.204 61.954 62.100 0.097 0.000 0.953 1582 T CB 2.107 70.999 68.868 0.040 0.000 1.434 1582 T HN 1.020 nan 8.240 nan 0.000 0.597 1583 G N 0.606 109.483 108.800 0.129 0.000 2.549 1583 G HA2 0.139 4.099 3.960 -0.000 0.000 0.404 1583 G HA3 0.139 4.099 3.960 -0.000 0.000 0.404 1583 G C -3.208 171.740 174.900 0.080 0.000 1.292 1583 G CA -0.482 44.688 45.100 0.116 0.000 0.935 1583 G HN 0.815 nan 8.290 nan 0.000 0.512 1584 P HA 0.337 nan 4.420 nan 0.000 0.284 1584 P C -0.296 177.110 177.300 0.177 0.000 1.292 1584 P CA -0.698 62.447 63.100 0.074 0.000 0.800 1584 P CB 0.869 32.662 31.700 0.156 0.000 1.188 1588 G N 0.244 109.103 108.800 0.099 0.000 2.238 1588 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 1588 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 1588 G C 1.136 176.092 174.900 0.095 0.000 0.996 1588 G CA 0.823 45.941 45.100 0.029 0.000 0.632 1588 G HN 0.470 nan 8.290 nan 0.000 0.503 1589 K N 0.642 121.095 120.400 0.087 0.000 1.986 1589 K HA -0.225 4.095 4.320 -0.000 0.000 0.230 1589 K C 2.685 179.378 176.600 0.155 0.000 1.048 1589 K CA 2.347 58.709 56.287 0.125 0.000 1.008 1589 K CB -0.626 31.934 32.500 0.099 0.000 0.737 1589 K HN 0.391 nan 8.250 nan 0.000 0.447 1590 S N 0.003 115.745 115.700 0.069 0.000 2.377 1590 S HA -0.201 4.269 4.470 -0.000 0.000 0.224 1590 S C 1.949 176.536 174.600 -0.021 0.000 1.042 1590 S CA 2.538 60.748 58.200 0.017 0.000 1.086 1590 S CB -0.669 62.523 63.200 -0.013 0.000 0.995 1590 S HN 0.428 nan 8.310 nan 0.000 0.428 1591 T N 1.259 115.780 114.554 -0.056 0.000 2.760 1591 T HA -0.150 4.200 4.350 -0.000 0.000 0.269 1591 T C 1.339 175.958 174.700 -0.135 0.000 1.047 1591 T CA 1.643 63.626 62.100 -0.194 0.000 1.139 1591 T CB -0.601 68.179 68.868 -0.147 0.000 0.855 1591 T HN 0.541 nan 8.240 nan 0.000 0.471 1592 F N 1.442 121.333 119.950 -0.098 0.000 2.234 1592 F HA 0.045 4.572 4.527 -0.000 0.000 0.299 1592 F C 1.709 177.491 175.800 -0.031 0.000 1.087 1592 F CA 0.808 58.782 58.000 -0.044 0.000 1.340 1592 F CB -0.382 38.603 39.000 -0.024 0.000 1.031 1592 F HN 0.071 nan 8.300 nan 0.000 0.500 1593 L N 0.082 121.238 121.223 -0.112 0.000 2.005 1593 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 1593 L C 2.648 179.396 176.870 -0.204 0.000 1.072 1593 L CA 1.418 56.157 54.840 -0.168 0.000 0.744 1593 L CB -0.862 41.174 42.059 -0.038 0.000 0.895 1593 L HN -0.070 nan 8.230 nan 0.000 0.433 1594 R N -0.017 120.385 120.500 -0.163 0.000 2.080 1594 R HA -0.242 4.098 4.340 -0.000 0.000 0.236 1594 R C 2.290 178.544 176.300 -0.077 0.000 1.137 1594 R CA 1.749 57.781 56.100 -0.114 0.000 0.943 1594 R CB -0.697 29.525 30.300 -0.129 0.000 0.846 1594 R HN 0.436 nan 8.270 nan 0.000 0.431 1595 Q N 0.691 120.405 119.800 -0.143 0.000 2.290 1595 Q HA -0.213 4.127 4.340 -0.000 0.000 0.211 1595 Q C 1.168 177.129 176.000 -0.065 0.000 0.991 1595 Q CA 2.341 58.154 55.803 0.017 0.000 0.893 1595 Q CB -0.025 28.715 28.738 0.002 0.000 0.913 1595 Q HN 0.437 nan 8.270 nan 0.000 0.428 1596 T N -0.642 113.795 114.554 -0.195 0.000 2.901 1596 T HA 0.153 4.503 4.350 -0.000 0.000 0.252 1596 T C 1.916 176.573 174.700 -0.071 0.000 1.035 1596 T CA 0.741 62.741 62.100 -0.167 0.000 1.142 1596 T CB -0.449 68.265 68.868 -0.255 0.000 0.869 1596 T HN 0.414 nan 8.240 nan 0.000 0.442 1597 A N 2.182 124.952 122.820 -0.084 0.000 1.859 1597 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 1597 A C 2.346 179.919 177.584 -0.017 0.000 1.198 1597 A CA 1.572 53.571 52.037 -0.064 0.000 0.629 1597 A CB -1.234 17.719 19.000 -0.078 0.000 0.830 1597 A HN 0.456 nan 8.150 nan 0.000 0.446 1598 L N -0.500 120.718 121.223 -0.008 0.000 1.978 1598 L HA -0.286 4.054 4.340 -0.000 0.000 0.218 1598 L C 2.588 179.452 176.870 -0.010 0.000 1.075 1598 L CA 1.967 56.803 54.840 -0.007 0.000 0.767 1598 L CB -0.786 41.276 42.059 0.004 0.000 0.890 1598 L HN 0.429 nan 8.230 nan 0.000 0.434 1599 I N -0.202 120.356 120.570 -0.020 0.000 2.145 1599 I HA -0.377 3.793 4.170 -0.000 0.000 0.244 1599 I C 2.859 178.981 176.117 0.009 0.000 1.075 1599 I CA 1.388 62.666 61.300 -0.037 0.000 1.332 1599 I CB -0.678 37.296 38.000 -0.043 0.000 1.033 1599 I HN 0.303 nan 8.210 nan 0.000 0.410 1600 A N 0.959 123.820 122.820 0.067 0.000 1.859 1600 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 1600 A C 2.271 179.937 177.584 0.137 0.000 1.198 1600 A CA 1.987 54.126 52.037 0.170 0.000 0.629 1600 A CB -1.021 18.188 19.000 0.348 0.000 0.830 1600 A HN 0.388 nan 8.150 nan 0.000 0.446 1601 L N -0.154 121.124 121.223 0.091 0.000 1.989 1601 L HA -0.150 4.190 4.340 -0.000 0.000 0.211 1601 L C 2.368 179.285 176.870 0.078 0.000 1.071 1601 L CA 1.931 56.812 54.840 0.067 0.000 0.749 1601 L CB -0.920 41.147 42.059 0.013 0.000 0.890 1601 L HN 0.429 nan 8.230 nan 0.000 0.431 1602 L N -0.696 120.559 121.223 0.053 0.000 2.081 1602 L HA -0.254 4.086 4.340 -0.000 0.000 0.212 1602 L C 2.566 179.500 176.870 0.106 0.000 1.080 1602 L CA 1.331 56.211 54.840 0.066 0.000 0.754 1602 L CB -0.790 41.265 42.059 -0.007 0.000 0.893 1602 L HN 0.443 nan 8.230 nan 0.000 0.433 1603 A N -0.836 122.038 122.820 0.089 0.000 1.872 1603 A HA -0.168 4.152 4.320 -0.000 0.000 0.214 1603 A C 2.106 179.831 177.584 0.236 0.000 1.187 1603 A CA 0.961 53.073 52.037 0.125 0.000 0.614 1603 A CB -0.347 18.672 19.000 0.031 0.000 0.826 1603 A HN 0.447 nan 8.150 nan 0.000 0.442 1604 Q N -0.481 119.438 119.800 0.198 0.000 2.515 1604 Q HA -0.014 4.326 4.340 -0.000 0.000 0.212 1604 Q C 1.679 177.752 176.000 0.122 0.000 0.970 1604 Q CA 0.992 56.889 55.803 0.157 0.000 0.941 1604 Q CB -0.107 28.704 28.738 0.123 0.000 0.998 1604 Q HN 0.500 nan 8.270 nan 0.000 0.518 1605 V N -0.633 119.373 119.914 0.154 0.000 3.125 1605 V HA 0.191 4.311 4.120 -0.000 0.000 0.249 1605 V C 0.950 177.175 176.094 0.218 0.000 1.113 1605 V CA 1.557 63.962 62.300 0.176 0.000 1.106 1605 V CB 0.562 32.516 31.823 0.219 0.000 0.768 1605 V HN 0.492 nan 8.190 nan 0.000 0.468 1606 G N 0.812 109.758 108.800 0.244 0.000 2.186 1606 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.130 1606 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.130 1606 G C 0.131 175.251 174.900 0.367 0.000 1.031 1606 G CA 0.466 45.745 45.100 0.299 0.000 0.697 1606 G HN 1.276 nan 8.290 nan 0.000 0.494 1607 S N -0.784 115.116 115.700 0.333 0.000 2.715 1607 S HA 0.895 5.365 4.470 -0.000 0.000 0.307 1607 S C -0.298 174.596 174.600 0.489 0.000 1.119 1607 S CA -1.005 57.414 58.200 0.366 0.000 0.937 1607 S CB 1.964 65.339 63.200 0.292 0.000 1.150 1607 S HN 0.465 nan 8.310 nan 0.000 0.521 1608 F N 1.186 121.234 119.950 0.163 0.000 2.371 1608 F HA 0.574 5.100 4.527 -0.000 0.000 0.329 1608 F C 0.784 176.569 175.800 -0.024 0.000 1.107 1608 F CA -1.334 56.733 58.000 0.112 0.000 1.137 1608 F CB 1.439 40.558 39.000 0.198 0.000 1.214 1608 F HN 0.643 nan 8.300 nan 0.000 0.536 1609 V N 0.020 119.924 119.914 -0.017 0.000 3.096 1609 V HA 0.669 4.789 4.120 -0.000 0.000 0.319 1609 V C -2.655 173.096 176.094 -0.571 0.000 1.103 1609 V CA -2.683 59.349 62.300 -0.447 0.000 1.016 1609 V CB 1.708 33.388 31.823 -0.238 0.000 1.090 1609 V HN 0.577 nan 8.190 nan 0.000 0.449 1610 P HA 0.487 nan 4.420 nan 0.000 0.268 1610 P C -0.355 176.950 177.300 0.009 0.000 1.541 1610 P CA 0.490 63.481 63.100 -0.181 0.000 1.093 1610 P CB 0.623 32.276 31.700 -0.079 0.000 1.551 1611 A N 3.076 125.934 122.820 0.063 0.000 3.865 1611 A HA 0.493 4.813 4.320 -0.000 0.000 0.284 1611 A C 0.476 178.102 177.584 0.069 0.000 1.105 1611 A CA -0.214 51.855 52.037 0.053 0.000 0.605 1611 A CB 0.799 19.797 19.000 -0.005 0.000 1.594 1611 A HN 0.297 nan 8.150 nan 0.000 0.741 1612 E N -1.251 118.967 120.200 0.031 0.000 2.905 1612 E HA 0.251 4.601 4.350 -0.000 0.000 0.197 1612 E C 0.110 176.703 176.600 -0.010 0.000 1.016 1612 E CA 0.386 56.801 56.400 0.026 0.000 1.307 1612 E CB 0.674 30.385 29.700 0.019 0.000 1.255 1612 E HN 0.549 nan 8.360 nan 0.000 0.527 1613 E N -0.469 119.704 120.200 -0.044 0.000 2.416 1613 E HA 0.699 5.049 4.350 -0.000 0.000 0.273 1613 E C -1.933 174.601 176.600 -0.110 0.000 0.935 1613 E CA -0.868 55.478 56.400 -0.091 0.000 0.784 1613 E CB 2.163 31.779 29.700 -0.139 0.000 1.301 1613 E HN 0.139 nan 8.360 nan 0.000 0.454 1614 A N 2.925 125.671 122.820 -0.123 0.000 2.511 1614 A HA 0.324 4.644 4.320 -0.000 0.000 0.292 1614 A C -1.944 175.631 177.584 -0.013 0.000 1.045 1614 A CA -0.531 51.444 52.037 -0.103 0.000 0.870 1614 A CB 0.480 19.418 19.000 -0.103 0.000 1.361 1614 A HN 0.710 nan 8.150 nan 0.000 0.396 1615 H N 2.592 121.575 119.070 -0.144 0.000 2.595 1615 H HA 0.600 5.156 4.556 -0.000 0.000 0.313 1615 H C -0.674 174.547 175.328 -0.178 0.000 1.023 1615 H CA -0.558 55.389 56.048 -0.169 0.000 1.218 1615 H CB 1.278 30.982 29.762 -0.097 0.000 1.403 1615 H HN 0.549 nan 8.280 nan 0.000 0.477 1616 L N 5.238 126.363 121.223 -0.162 0.000 2.319 1616 L HA 0.516 4.856 4.340 -0.000 0.000 0.267 1616 L C -2.298 174.413 176.870 -0.265 0.000 1.011 1616 L CA -2.120 52.565 54.840 -0.258 0.000 0.818 1616 L CB 2.149 44.034 42.059 -0.290 0.000 1.316 1616 L HN 0.446 nan 8.230 nan 0.000 0.432 1617 P HA 0.260 nan 4.420 nan 0.000 0.301 1617 P C -0.930 176.075 177.300 -0.492 0.000 1.309 1617 P CA -0.594 62.250 63.100 -0.426 0.000 0.782 1617 P CB 1.452 32.810 31.700 -0.571 0.000 1.282 1618 L N 0.769 121.818 121.223 -0.289 0.000 2.449 1618 L HA 0.318 4.658 4.340 -0.000 0.000 0.255 1618 L C 0.375 177.177 176.870 -0.113 0.000 1.167 1618 L CA -0.705 54.004 54.840 -0.218 0.000 1.090 1618 L CB -1.094 40.860 42.059 -0.174 0.000 1.385 1618 L HN 0.250 nan 8.230 nan 0.000 0.411 1619 F N 2.041 121.956 119.950 -0.058 0.000 2.635 1619 F HA -0.146 4.381 4.527 -0.000 0.000 0.379 1619 F C 1.849 177.654 175.800 0.008 0.000 1.094 1619 F CA -0.082 57.892 58.000 -0.043 0.000 1.300 1619 F CB 0.664 39.620 39.000 -0.072 0.000 1.035 1619 F HN 0.568 nan 8.300 nan 0.000 0.581 1620 D N 1.525 122.088 120.400 0.273 0.000 2.240 1620 D HA 0.101 4.741 4.640 -0.000 0.000 0.206 1620 D C 0.719 177.106 176.300 0.145 0.000 0.963 1620 D CA 0.803 54.910 54.000 0.178 0.000 0.863 1620 D CB 0.293 41.203 40.800 0.185 0.000 0.973 1620 D HN 0.539 nan 8.370 nan 0.000 0.501 1621 G N -0.155 108.734 108.800 0.148 0.000 2.704 1621 G HA2 0.539 4.499 3.960 -0.000 0.000 0.293 1621 G HA3 0.539 4.499 3.960 -0.000 0.000 0.293 1621 G C -1.348 173.445 174.900 -0.178 0.000 1.421 1621 G CA -0.803 44.250 45.100 -0.077 0.000 0.870 1621 G HN 0.124 nan 8.290 nan 0.000 0.492 1622 I N 1.786 122.107 120.570 -0.415 0.000 2.668 1622 I HA 0.229 4.399 4.170 -0.000 0.000 0.276 1622 I C -0.981 174.946 176.117 -0.317 0.000 1.139 1622 I CA -0.545 60.583 61.300 -0.288 0.000 1.133 1622 I CB 0.607 38.484 38.000 -0.204 0.000 1.327 1622 I HN 0.311 nan 8.210 nan 0.000 0.520 1623 Y N 3.074 123.317 120.300 -0.095 0.000 2.307 1623 Y HA 0.565 5.115 4.550 -0.000 0.000 0.324 1623 Y C 1.218 177.058 175.900 -0.099 0.000 1.238 1623 Y CA -0.616 57.435 58.100 -0.081 0.000 1.280 1623 Y CB 1.069 39.490 38.460 -0.066 0.000 1.248 1623 Y HN 0.434 nan 8.280 nan 0.000 0.508 1624 T N -0.922 113.663 114.554 0.051 0.000 2.676 1624 T HA 0.778 5.128 4.350 -0.000 0.000 0.269 1624 T C -0.762 173.909 174.700 -0.049 0.000 0.952 1624 T CA -1.165 60.920 62.100 -0.025 0.000 1.040 1624 T CB 1.966 70.803 68.868 -0.052 0.000 1.352 1624 T HN 0.487 nan 8.240 nan 0.000 0.554 1625 R N 0.223 120.671 120.500 -0.087 0.000 2.812 1625 R HA 0.350 4.690 4.340 -0.000 0.000 0.179 1625 R C -1.866 174.361 176.300 -0.123 0.000 1.407 1625 R CA -0.185 55.846 56.100 -0.115 0.000 1.031 1625 R CB -1.079 29.127 30.300 -0.157 0.000 1.491 1625 R HN 0.818 nan 8.270 nan 0.000 0.619 1626 I N 1.091 121.605 120.570 -0.094 0.000 2.648 1626 I HA 0.741 4.911 4.170 -0.000 0.000 0.304 1626 I C 1.413 177.489 176.117 -0.068 0.000 1.009 1626 I CA -0.631 60.619 61.300 -0.083 0.000 1.114 1626 I CB 1.707 39.666 38.000 -0.067 0.000 1.293 1626 I HN 0.538 nan 8.210 nan 0.000 0.449 1627 G N 3.795 112.558 108.800 -0.061 0.000 2.582 1627 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.369 1627 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.369 1627 G C 0.390 175.264 174.900 -0.044 0.000 1.370 1627 G CA 0.922 45.995 45.100 -0.045 0.000 0.955 1627 G HN 2.005 nan 8.290 nan 0.000 0.525 1636 K N 0.758 121.170 120.400 0.020 0.000 2.362 1636 K HA 0.672 4.992 4.320 -0.000 0.000 0.245 1636 K C 0.021 176.643 176.600 0.037 0.000 1.040 1636 K CA 0.389 56.693 56.287 0.030 0.000 0.961 1636 K CB 1.037 33.553 32.500 0.027 0.000 1.252 1636 K HN 0.878 nan 8.250 nan 0.000 0.503 1637 S N -1.439 114.296 115.700 0.059 0.000 2.664 1637 S HA 0.203 4.673 4.470 -0.000 0.000 0.304 1637 S C 0.947 175.593 174.600 0.078 0.000 1.099 1637 S CA -0.485 57.759 58.200 0.073 0.000 1.003 1637 S CB 1.237 64.497 63.200 0.100 0.000 1.092 1637 S HN 0.566 nan 8.310 nan 0.000 0.525 1638 T N 1.268 115.863 114.554 0.069 0.000 2.620 1638 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 1638 T C 0.747 175.466 174.700 0.032 0.000 1.044 1638 T CA 1.734 63.858 62.100 0.040 0.000 1.161 1638 T CB -0.875 68.024 68.868 0.052 0.000 0.862 1638 T HN 0.543 nan 8.240 nan 0.000 0.438 1645 E N 1.322 121.459 120.200 -0.105 0.000 2.033 1645 E HA -0.173 4.177 4.350 -0.000 0.000 0.199 1645 E C 2.097 178.639 176.600 -0.096 0.000 1.011 1645 E CA 2.025 58.367 56.400 -0.096 0.000 0.815 1645 E CB 0.079 29.712 29.700 -0.112 0.000 0.755 1645 E HN 0.005 nan 8.360 nan 0.000 0.451 1646 V N 1.556 121.397 119.914 -0.122 0.000 2.332 1646 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 1646 V C 2.413 178.448 176.094 -0.099 0.000 1.055 1646 V CA 1.815 64.043 62.300 -0.119 0.000 1.038 1646 V CB -0.996 30.749 31.823 -0.130 0.000 0.651 1646 V HN 0.329 nan 8.190 nan 0.000 0.450 1647 A N 0.315 123.083 122.820 -0.087 0.000 1.869 1647 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 1647 A C 2.228 179.764 177.584 -0.080 0.000 1.203 1647 A CA 2.426 54.420 52.037 -0.071 0.000 0.638 1647 A CB -0.740 18.225 19.000 -0.060 0.000 0.831 1647 A HN 0.506 nan 8.150 nan 0.000 0.450 1648 L N -0.473 120.704 121.223 -0.077 0.000 1.990 1648 L HA -0.278 4.062 4.340 -0.000 0.000 0.213 1648 L C 2.618 179.398 176.870 -0.149 0.000 1.072 1648 L CA 2.012 56.807 54.840 -0.076 0.000 0.755 1648 L CB -0.942 41.098 42.059 -0.032 0.000 0.889 1648 L HN 0.488 nan 8.230 nan 0.000 0.432 1649 I N -0.143 120.324 120.570 -0.172 0.000 2.118 1649 I HA -0.358 3.812 4.170 -0.000 0.000 0.241 1649 I C 2.531 178.480 176.117 -0.280 0.000 1.070 1649 I CA 1.595 62.711 61.300 -0.307 0.000 1.327 1649 I CB -0.655 37.232 38.000 -0.188 0.000 1.034 1649 I HN 0.231 nan 8.210 nan 0.000 0.405 1650 L N 0.620 121.746 121.223 -0.162 0.000 2.127 1650 L HA -0.182 4.158 4.340 -0.000 0.000 0.211 1650 L C 2.027 178.825 176.870 -0.120 0.000 1.089 1650 L CA 1.522 56.292 54.840 -0.117 0.000 0.757 1650 L CB -0.617 41.400 42.059 -0.071 0.000 0.899 1650 L HN 0.288 nan 8.230 nan 0.000 0.434 1651 K N -0.368 119.958 120.400 -0.125 0.000 2.437 1651 K HA 0.072 4.392 4.320 -0.000 0.000 0.198 1651 K C 0.696 177.231 176.600 -0.109 0.000 1.024 1651 K CA 0.195 56.424 56.287 -0.097 0.000 1.148 1651 K CB 0.403 32.861 32.500 -0.069 0.000 0.860 1651 K HN 0.361 nan 8.250 nan 0.000 0.515 1652 E N -0.426 119.654 120.200 -0.201 0.000 2.640 1652 E HA 0.098 4.447 4.350 -0.000 0.000 0.197 1652 E C -0.174 176.234 176.600 -0.319 0.000 0.925 1652 E CA -0.071 56.207 56.400 -0.204 0.000 1.604 1652 E CB 0.613 30.217 29.700 -0.160 0.000 1.769 1652 E HN 0.164 nan 8.360 nan 0.000 0.965 1653 A N 1.778 124.306 122.820 -0.487 0.000 2.483 1653 A HA 0.336 4.656 4.320 -0.000 0.000 0.238 1653 A C 0.386 177.907 177.584 -0.106 0.000 1.070 1653 A CA 0.890 52.709 52.037 -0.364 0.000 0.770 1653 A CB 0.634 19.454 19.000 -0.301 0.000 1.008 1653 A HN 0.083 nan 8.150 nan 0.000 0.497 1654 T N -1.377 113.182 114.554 0.008 0.000 2.654 1654 T HA 0.357 4.707 4.350 -0.000 0.000 0.289 1654 T C 1.064 175.833 174.700 0.115 0.000 1.062 1654 T CA 0.242 62.376 62.100 0.056 0.000 1.041 1654 T CB 0.911 69.829 68.868 0.085 0.000 1.417 1654 T HN 0.784 nan 8.240 nan 0.000 0.510 1655 E N 0.735 121.004 120.200 0.114 0.000 2.472 1655 E HA -0.073 4.277 4.350 -0.000 0.000 0.200 1655 E C 0.514 177.336 176.600 0.371 0.000 1.046 1655 E CA 1.008 57.498 56.400 0.150 0.000 0.871 1655 E CB -0.076 29.640 29.700 0.026 0.000 0.806 1655 E HN 0.449 nan 8.360 nan 0.000 0.533 1656 N N 0.328 119.248 118.700 0.367 0.000 2.210 1656 N HA 0.062 4.802 4.740 -0.000 0.000 0.203 1656 N C -0.078 175.725 175.510 0.487 0.000 1.175 1656 N CA -0.006 53.350 53.050 0.510 0.000 0.894 1656 N CB 0.798 39.497 38.487 0.354 0.000 1.041 1656 N HN -0.062 nan 8.380 nan 0.000 0.506 1657 S N 1.441 117.347 115.700 0.343 0.000 2.573 1657 S HA 0.119 4.589 4.470 -0.000 0.000 0.277 1657 S C -0.076 174.613 174.600 0.148 0.000 1.346 1657 S CA -0.191 58.174 58.200 0.275 0.000 1.034 1657 S CB 0.689 64.030 63.200 0.235 0.000 0.879 1657 S HN 0.180 nan 8.310 nan 0.000 0.528 1658 L N 3.833 124.986 121.223 -0.117 0.000 2.313 1658 L HA 0.740 5.080 4.340 -0.000 0.000 0.283 1658 L C -1.052 175.754 176.870 -0.107 0.000 1.013 1658 L CA -0.329 54.261 54.840 -0.417 0.000 0.816 1658 L CB 1.282 42.596 42.059 -1.242 0.000 1.236 1658 L HN 0.403 nan 8.230 nan 0.000 0.419 1659 V N 6.129 126.019 119.914 -0.040 0.000 2.709 1659 V HA 0.530 4.650 4.120 -0.000 0.000 0.308 1659 V C -0.597 175.485 176.094 -0.020 0.000 1.062 1659 V CA -0.581 61.720 62.300 0.002 0.000 0.901 1659 V CB 2.082 33.913 31.823 0.013 0.000 1.003 1659 V HN 0.678 nan 8.190 nan 0.000 0.425 1660 L N 5.660 126.856 121.223 -0.045 0.000 2.343 1660 L HA 0.685 5.025 4.340 -0.000 0.000 0.278 1660 L C -0.857 175.944 176.870 -0.115 0.000 0.996 1660 L CA -0.413 54.392 54.840 -0.058 0.000 0.831 1660 L CB 1.459 43.476 42.059 -0.069 0.000 1.232 1660 L HN 0.336 nan 8.230 nan 0.000 0.413 1661 L N 2.834 123.952 121.223 -0.175 0.000 2.333 1661 L HA 0.630 4.970 4.340 -0.000 0.000 0.269 1661 L C -0.741 175.919 176.870 -0.350 0.000 1.010 1661 L CA -0.454 54.157 54.840 -0.380 0.000 0.818 1661 L CB 2.452 44.044 42.059 -0.778 0.000 1.306 1661 L HN 0.653 nan 8.230 nan 0.000 0.430 1662 D N 2.923 123.115 120.400 -0.347 0.000 2.602 1662 D HA 0.119 4.759 4.640 -0.000 0.000 0.245 1662 D C -0.222 175.920 176.300 -0.264 0.000 1.325 1662 D CA -0.179 53.679 54.000 -0.236 0.000 0.952 1662 D CB 1.327 42.039 40.800 -0.147 0.000 1.317 1662 D HN 0.721 nan 8.370 nan 0.000 0.577 1663 E N 0.701 120.751 120.200 -0.250 0.000 2.660 1663 E HA -0.157 4.193 4.350 -0.000 0.000 0.260 1663 E C 0.155 176.621 176.600 -0.223 0.000 1.122 1663 E CA 0.252 56.502 56.400 -0.250 0.000 0.755 1663 E CB -1.196 28.360 29.700 -0.240 0.000 1.345 1663 E HN 0.335 nan 8.360 nan 0.000 0.421 1664 V N 0.808 120.537 119.914 -0.308 0.000 2.644 1664 V HA 0.084 4.204 4.120 -0.000 0.000 0.305 1664 V C 1.476 177.525 176.094 -0.076 0.000 1.053 1664 V CA 1.949 64.097 62.300 -0.253 0.000 1.186 1664 V CB 0.752 32.354 31.823 -0.369 0.000 0.895 1664 V HN 0.664 nan 8.190 nan 0.000 0.490 1665 G N 4.834 113.590 108.800 -0.074 0.000 2.401 1665 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.283 1665 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.283 1665 G C -0.049 174.953 174.900 0.170 0.000 1.117 1665 G CA 0.349 45.507 45.100 0.097 0.000 1.051 1665 G HN 1.030 nan 8.290 nan 0.000 0.510 1666 R N -0.683 119.894 120.500 0.129 0.000 3.151 1666 R HA 0.821 5.161 4.340 -0.000 0.000 0.231 1666 R C 1.192 177.664 176.300 0.287 0.000 1.511 1666 R CA -0.504 55.675 56.100 0.131 0.000 1.047 1666 R CB 0.006 30.309 30.300 0.005 0.000 1.565 1666 R HN 1.569 nan 8.270 nan 0.000 0.513 1667 G N 0.214 109.130 108.800 0.194 0.000 2.386 1667 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.295 1667 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.295 1667 G C -0.200 174.800 174.900 0.166 0.000 0.979 1667 G CA 1.227 46.447 45.100 0.201 0.000 1.193 1667 G HN 0.769 nan 8.290 nan 0.000 0.508 1668 T N -1.489 113.111 114.554 0.077 0.000 2.770 1668 T HA 0.606 4.956 4.350 -0.000 0.000 0.323 1668 T C 0.454 175.158 174.700 0.006 0.000 1.683 1668 T CA 0.581 62.632 62.100 -0.082 0.000 1.024 1668 T CB 0.581 69.338 68.868 -0.185 0.000 1.557 1668 T HN 1.585 nan 8.240 nan 0.000 0.494 1669 S N 2.380 118.059 115.700 -0.036 0.000 2.566 1669 S HA 0.287 4.757 4.470 -0.000 0.000 0.280 1669 S C 1.607 176.235 174.600 0.047 0.000 1.343 1669 S CA 0.320 58.523 58.200 0.004 0.000 1.036 1669 S CB 0.623 63.810 63.200 -0.021 0.000 0.866 1669 S HN 0.829 nan 8.310 nan 0.000 0.526 1670 S N 1.724 117.455 115.700 0.052 0.000 2.327 1670 S HA -0.236 4.234 4.470 -0.000 0.000 0.374 1670 S C 1.841 176.465 174.600 0.040 0.000 1.025 1670 S CA 2.077 60.312 58.200 0.059 0.000 2.076 1670 S CB -1.147 62.073 63.200 0.033 0.000 1.611 1670 S HN 0.670 nan 8.310 nan 0.000 0.473 1671 L N 1.598 122.827 121.223 0.010 0.000 1.951 1671 L HA -0.257 4.083 4.340 -0.000 0.000 0.222 1671 L C 2.356 179.232 176.870 0.011 0.000 1.078 1671 L CA 2.001 56.834 54.840 -0.010 0.000 0.778 1671 L CB -1.025 41.029 42.059 -0.007 0.000 0.893 1671 L HN 0.437 nan 8.230 nan 0.000 0.436 1672 D N -0.031 120.389 120.400 0.033 0.000 2.248 1672 D HA -0.242 4.398 4.640 -0.000 0.000 0.191 1672 D C 1.834 178.215 176.300 0.134 0.000 1.013 1672 D CA 1.842 55.882 54.000 0.066 0.000 0.883 1672 D CB -0.325 40.499 40.800 0.039 0.000 0.915 1672 D HN 0.556 nan 8.370 nan 0.000 0.448 1673 G N 1.066 109.969 108.800 0.171 0.000 2.666 1673 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.215 1673 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.215 1673 G C 1.825 176.910 174.900 0.308 0.000 1.294 1673 G CA 1.138 46.450 45.100 0.353 0.000 0.811 1673 G HN 0.246 nan 8.290 nan 0.000 0.594 1674 V N 1.860 121.650 119.914 -0.208 0.000 2.660 1674 V HA -0.144 3.976 4.120 -0.000 0.000 0.257 1674 V C 3.123 179.122 176.094 -0.158 0.000 1.088 1674 V CA 1.893 63.791 62.300 -0.671 0.000 1.106 1674 V CB -0.972 30.437 31.823 -0.689 0.000 0.686 1674 V HN 0.589 nan 8.190 nan 0.000 0.481 1675 A N 0.731 123.535 122.820 -0.027 0.000 1.822 1675 A HA -0.124 4.196 4.320 -0.000 0.000 0.214 1675 A C 2.063 179.699 177.584 0.087 0.000 1.245 1675 A CA 1.700 53.752 52.037 0.025 0.000 0.608 1675 A CB -0.645 18.377 19.000 0.038 0.000 0.896 1675 A HN 0.298 nan 8.150 nan 0.000 0.457 1676 I N 0.376 121.027 120.570 0.135 0.000 2.121 1676 I HA -0.406 3.764 4.170 -0.000 0.000 0.243 1676 I C 2.940 179.167 176.117 0.182 0.000 1.047 1676 I CA 2.046 63.440 61.300 0.156 0.000 1.308 1676 I CB -1.929 36.189 38.000 0.197 0.000 1.015 1676 I HN 0.441 nan 8.210 nan 0.000 0.410 1677 A N 0.671 123.651 122.820 0.267 0.000 1.896 1677 A HA -0.306 4.014 4.320 -0.000 0.000 0.220 1677 A C 2.439 180.178 177.584 0.259 0.000 1.206 1677 A CA 3.257 55.514 52.037 0.366 0.000 0.647 1677 A CB -1.338 17.999 19.000 0.561 0.000 0.828 1677 A HN 0.533 nan 8.150 nan 0.000 0.455 1678 T N 0.203 114.842 114.554 0.143 0.000 2.674 1678 T HA -0.012 4.338 4.350 -0.000 0.000 0.265 1678 T C 2.242 176.994 174.700 0.088 0.000 1.039 1678 T CA 1.905 64.049 62.100 0.073 0.000 1.150 1678 T CB -0.671 68.214 68.868 0.028 0.000 0.864 1678 T HN 0.692 nan 8.240 nan 0.000 0.427 1679 A N 1.436 124.311 122.820 0.091 0.000 1.851 1679 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 1679 A C 2.632 180.276 177.584 0.100 0.000 1.195 1679 A CA 1.968 54.054 52.037 0.081 0.000 0.622 1679 A CB -1.315 17.726 19.000 0.070 0.000 0.831 1679 A HN 0.332 nan 8.150 nan 0.000 0.444 1680 V N 0.119 120.108 119.914 0.125 0.000 2.278 1680 V HA -0.331 3.789 4.120 -0.000 0.000 0.251 1680 V C 2.979 179.185 176.094 0.186 0.000 1.062 1680 V CA 2.287 64.667 62.300 0.133 0.000 1.038 1680 V CB -1.719 30.189 31.823 0.141 0.000 0.646 1680 V HN 0.695 nan 8.190 nan 0.000 0.447 1681 A N 0.191 123.162 122.820 0.251 0.000 1.836 1681 A HA -0.315 4.005 4.320 -0.000 0.000 0.215 1681 A C 2.137 179.821 177.584 0.167 0.000 1.214 1681 A CA 2.280 54.447 52.037 0.217 0.000 0.636 1681 A CB -0.909 18.126 19.000 0.057 0.000 0.847 1681 A HN 0.633 nan 8.150 nan 0.000 0.451 1682 E N -0.270 120.007 120.200 0.129 0.000 2.108 1682 E HA -0.280 4.070 4.350 -0.000 0.000 0.203 1682 E C 2.261 178.954 176.600 0.155 0.000 1.022 1682 E CA 1.291 57.793 56.400 0.170 0.000 0.823 1682 E CB -0.496 29.273 29.700 0.114 0.000 0.744 1682 E HN 0.631 nan 8.360 nan 0.000 0.456 1683 A N 1.200 124.084 122.820 0.106 0.000 1.884 1683 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 1683 A C 2.259 179.881 177.584 0.063 0.000 1.197 1683 A CA 1.686 53.763 52.037 0.066 0.000 0.637 1683 A CB -0.805 18.228 19.000 0.055 0.000 0.827 1683 A HN 0.169 nan 8.150 nan 0.000 0.450 1684 L N -1.976 119.306 121.223 0.098 0.000 2.072 1684 L HA -0.143 4.197 4.340 -0.000 0.000 0.205 1684 L C 2.606 179.547 176.870 0.117 0.000 1.079 1684 L CA 1.552 56.447 54.840 0.092 0.000 0.752 1684 L CB -0.623 41.510 42.059 0.124 0.000 0.906 1684 L HN 0.674 nan 8.230 nan 0.000 0.436 1685 H N 0.524 119.623 119.070 0.049 0.000 2.321 1685 H HA -0.220 4.336 4.556 -0.000 0.000 0.295 1685 H C 2.064 177.402 175.328 0.016 0.000 1.102 1685 H CA 2.029 58.097 56.048 0.033 0.000 1.266 1685 H CB 0.067 29.845 29.762 0.026 0.000 1.363 1685 H HN 0.189 nan 8.280 nan 0.000 0.492 1686 E N 0.101 120.210 120.200 -0.152 0.000 2.153 1686 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 1686 E C 2.392 178.909 176.600 -0.139 0.000 0.988 1686 E CA 0.794 57.060 56.400 -0.223 0.000 0.811 1686 E CB -0.254 29.386 29.700 -0.100 0.000 0.746 1686 E HN 0.315 nan 8.360 nan 0.000 0.466 1687 R N 1.063 121.526 120.500 -0.063 0.000 2.189 1687 R HA -0.000 4.340 4.340 -0.000 0.000 0.223 1687 R C 0.318 176.598 176.300 -0.034 0.000 1.092 1687 R CA 0.567 56.645 56.100 -0.036 0.000 0.989 1687 R CB -0.238 30.057 30.300 -0.008 0.000 0.876 1687 R HN 0.010 nan 8.270 nan 0.000 0.457 1688 R N -2.072 118.399 120.500 -0.048 0.000 3.651 1688 R HA -0.196 4.144 4.340 -0.000 0.000 0.292 1688 R C -0.936 175.388 176.300 0.040 0.000 1.161 1688 R CA 0.557 56.634 56.100 -0.039 0.000 0.787 1688 R CB -2.209 28.020 30.300 -0.118 0.000 1.249 1688 R HN 0.313 nan 8.270 nan 0.000 0.476 1689 A N 0.236 123.102 122.820 0.077 0.000 2.306 1689 A HA 0.546 4.866 4.320 -0.000 0.000 0.314 1689 A C -0.366 177.307 177.584 0.148 0.000 1.164 1689 A CA -0.507 51.621 52.037 0.152 0.000 0.822 1689 A CB 0.276 19.357 19.000 0.136 0.000 1.130 1689 A HN 0.252 nan 8.150 nan 0.000 0.496 1690 Y N 1.566 121.948 120.300 0.137 0.000 2.802 1690 Y HA 0.172 4.722 4.550 -0.000 0.000 0.351 1690 Y C 0.854 176.778 175.900 0.040 0.000 1.237 1690 Y CA 0.959 59.117 58.100 0.096 0.000 1.599 1690 Y CB -0.216 38.313 38.460 0.115 0.000 1.214 1690 Y HN 0.483 nan 8.280 nan 0.000 0.520 1691 T N 5.766 120.436 114.554 0.192 0.000 2.815 1691 T HA 0.426 4.776 4.350 -0.000 0.000 0.289 1691 T C -0.192 174.612 174.700 0.173 0.000 1.000 1691 T CA -0.721 61.471 62.100 0.154 0.000 0.958 1691 T CB 0.442 69.409 68.868 0.164 0.000 0.944 1691 T HN 0.414 nan 8.240 nan 0.000 0.442 1692 L N 4.368 125.675 121.223 0.140 0.000 2.407 1692 L HA 0.461 4.801 4.340 -0.000 0.000 0.261 1692 L C -0.354 176.638 176.870 0.204 0.000 1.108 1692 L CA -0.623 54.319 54.840 0.170 0.000 0.995 1692 L CB 0.000 42.130 42.059 0.117 0.000 1.349 1692 L HN 0.623 nan 8.230 nan 0.000 0.423 1693 F N 2.770 122.750 119.950 0.050 0.000 2.424 1693 F HA 0.570 5.097 4.527 -0.000 0.000 0.356 1693 F C 0.410 176.223 175.800 0.021 0.000 1.110 1693 F CA -0.828 57.186 58.000 0.023 0.000 1.161 1693 F CB 0.827 39.841 39.000 0.023 0.000 1.115 1693 F HN 0.396 nan 8.300 nan 0.000 0.507 1694 A N 5.470 128.576 122.820 0.477 0.000 2.287 1694 A HA 0.609 4.929 4.320 -0.000 0.000 0.317 1694 A C -0.439 177.289 177.584 0.240 0.000 1.220 1694 A CA -0.354 51.847 52.037 0.273 0.000 0.835 1694 A CB 1.496 20.571 19.000 0.125 0.000 1.180 1694 A HN 0.751 nan 8.150 nan 0.000 0.500 1695 T N -0.167 114.469 114.554 0.135 0.000 2.778 1695 T HA 0.527 4.877 4.350 -0.000 0.000 0.293 1695 T C -0.159 174.461 174.700 -0.134 0.000 1.144 1695 T CA -0.380 61.703 62.100 -0.027 0.000 1.010 1695 T CB 0.962 69.920 68.868 0.150 0.000 1.325 1695 T HN 0.612 nan 8.240 nan 0.000 0.515 1696 H N -0.119 118.872 119.070 -0.132 0.000 2.755 1696 H HA 0.290 4.846 4.556 -0.000 0.000 0.273 1696 H C -0.338 174.879 175.328 -0.184 0.000 1.055 1696 H CA -0.089 55.835 56.048 -0.206 0.000 1.191 1696 H CB 0.021 29.690 29.762 -0.155 0.000 1.536 1696 H HN 0.503 nan 8.280 nan 0.000 0.529 1697 Y N 1.142 121.414 120.300 -0.048 0.000 2.680 1697 Y HA -0.070 4.480 4.550 -0.000 0.000 0.356 1697 Y C 0.874 176.743 175.900 -0.052 0.000 1.122 1697 Y CA -0.612 57.470 58.100 -0.030 0.000 1.509 1697 Y CB -0.070 38.399 38.460 0.016 0.000 1.245 1697 Y HN 0.020 nan 8.280 nan 0.000 0.513 1698 F N 1.495 121.562 119.950 0.194 0.000 2.046 1698 F HA -0.335 4.192 4.527 -0.000 0.000 0.297 1698 F C 2.363 178.176 175.800 0.021 0.000 1.123 1698 F CA 1.295 59.343 58.000 0.080 0.000 1.199 1698 F CB -0.102 38.930 39.000 0.053 0.000 0.972 1698 F HN 0.546 nan 8.300 nan 0.000 0.474 1699 E N 1.147 121.468 120.200 0.201 0.000 2.196 1699 E HA -0.325 4.025 4.350 -0.000 0.000 0.222 1699 E C 2.144 178.757 176.600 0.022 0.000 1.072 1699 E CA 2.129 58.560 56.400 0.052 0.000 0.902 1699 E CB -1.531 28.141 29.700 -0.048 0.000 0.780 1699 E HN 0.476 nan 8.360 nan 0.000 0.467 1700 L N 0.929 122.160 121.223 0.014 0.000 2.013 1700 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 1700 L C 3.032 179.865 176.870 -0.061 0.000 1.073 1700 L CA 2.097 56.906 54.840 -0.050 0.000 0.753 1700 L CB -0.877 41.116 42.059 -0.109 0.000 0.890 1700 L HN 0.319 nan 8.230 nan 0.000 0.432 1701 T N -0.758 113.793 114.554 -0.006 0.000 2.778 1701 T HA -0.135 4.215 4.350 -0.000 0.000 0.269 1701 T C 0.921 175.617 174.700 -0.006 0.000 1.050 1701 T CA 1.109 63.209 62.100 0.001 0.000 1.137 1701 T CB -0.128 68.792 68.868 0.088 0.000 0.860 1701 T HN 0.348 nan 8.240 nan 0.000 0.468 1702 A N 0.948 123.771 122.820 0.005 0.000 3.095 1702 A HA 0.627 4.947 4.320 -0.000 0.000 0.301 1702 A C 0.307 177.872 177.584 -0.031 0.000 1.432 1702 A CA -0.473 51.556 52.037 -0.014 0.000 1.140 1702 A CB -0.246 18.749 19.000 -0.008 0.000 1.174 1702 A HN 0.562 nan 8.150 nan 0.000 0.546 1703 L N 1.382 122.575 121.223 -0.050 0.000 3.288 1703 L HA 0.244 4.584 4.340 -0.000 0.000 0.293 1703 L C 1.290 178.120 176.870 -0.066 0.000 1.294 1703 L CA -0.503 54.302 54.840 -0.058 0.000 1.006 1703 L CB 0.786 42.799 42.059 -0.076 0.000 1.407 1703 L HN 0.745 nan 8.230 nan 0.000 0.592 1704 G N 1.892 110.661 108.800 -0.052 0.000 2.256 1704 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.269 1704 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.269 1704 G C -0.191 174.680 174.900 -0.049 0.000 0.443 1704 G CA 0.581 45.654 45.100 -0.045 0.000 1.051 1704 G HN 0.289 nan 8.290 nan 0.000 0.442 1705 L N 3.033 124.197 121.223 -0.098 0.000 2.342 1705 L HA 0.411 4.751 4.340 -0.000 0.000 0.271 1705 L C -0.529 176.318 176.870 -0.039 0.000 1.008 1705 L CA -2.398 52.380 54.840 -0.104 0.000 0.818 1705 L CB 2.210 43.988 42.059 -0.469 0.000 1.296 1705 L HN 0.153 nan 8.230 nan 0.000 0.427 1706 P HA -0.166 nan 4.420 nan 0.000 0.216 1706 P C 0.747 178.111 177.300 0.107 0.000 1.153 1706 P CA 1.398 64.557 63.100 0.099 0.000 0.858 1706 P CB 0.214 31.984 31.700 0.116 0.000 0.789 1707 R N -1.205 119.436 120.500 0.234 0.000 2.426 1707 R HA 0.240 4.580 4.340 -0.000 0.000 0.263 1707 R C 0.819 177.141 176.300 0.037 0.000 0.961 1707 R CA -0.640 55.570 56.100 0.184 0.000 1.086 1707 R CB -0.255 30.234 30.300 0.315 0.000 1.186 1707 R HN 0.168 nan 8.270 nan 0.000 0.537 1708 L N 1.062 122.226 121.223 -0.098 0.000 2.505 1708 L HA 0.251 4.591 4.340 -0.000 0.000 0.226 1708 L C -0.177 176.678 176.870 -0.025 0.000 1.211 1708 L CA 0.508 55.283 54.840 -0.107 0.000 0.828 1708 L CB 0.465 42.432 42.059 -0.154 0.000 1.331 1708 L HN -0.015 nan 8.230 nan 0.000 0.513 1709 K N 0.756 121.147 120.400 -0.016 0.000 2.636 1709 K HA 0.304 4.624 4.320 -0.000 0.000 0.268 1709 K C -2.085 174.525 176.600 0.016 0.000 0.958 1709 K CA -0.573 55.724 56.287 0.016 0.000 0.875 1709 K CB 0.778 33.306 32.500 0.047 0.000 1.382 1709 K HN 0.759 nan 8.250 nan 0.000 0.405 1710 N N 4.305 123.020 118.700 0.024 0.000 2.296 1710 N HA 0.498 5.238 4.740 -0.000 0.000 0.294 1710 N C -1.286 174.262 175.510 0.064 0.000 1.033 1710 N CA -0.677 52.392 53.050 0.032 0.000 0.839 1710 N CB 1.727 40.222 38.487 0.012 0.000 1.395 1710 N HN 0.344 nan 8.380 nan 0.000 0.479 1711 L N 2.372 123.647 121.223 0.086 0.000 2.401 1711 L HA 0.537 4.877 4.340 -0.000 0.000 0.266 1711 L C -0.625 176.338 176.870 0.155 0.000 0.991 1711 L CA -0.988 53.919 54.840 0.112 0.000 0.818 1711 L CB 2.097 44.176 42.059 0.033 0.000 1.321 1711 L HN 0.589 nan 8.230 nan 0.000 0.413 1712 H N 0.940 119.983 119.070 -0.046 0.000 2.946 1712 H HA 0.769 5.325 4.556 -0.000 0.000 0.365 1712 H C -1.254 174.029 175.328 -0.076 0.000 1.197 1712 H CA -1.090 54.938 56.048 -0.033 0.000 1.131 1712 H CB 1.834 31.608 29.762 0.019 0.000 1.849 1712 H HN 0.397 nan 8.280 nan 0.000 0.555 1713 V N -1.005 118.774 119.914 -0.226 0.000 2.769 1713 V HA 0.968 5.088 4.120 -0.000 0.000 0.312 1713 V C -0.100 175.842 176.094 -0.254 0.000 1.061 1713 V CA -0.504 61.627 62.300 -0.282 0.000 0.931 1713 V CB 1.023 32.775 31.823 -0.118 0.000 1.010 1713 V HN 1.247 nan 8.190 nan 0.000 0.433 1714 A N 2.721 125.368 122.820 -0.288 0.000 2.322 1714 A HA 1.062 5.382 4.320 -0.000 0.000 0.327 1714 A C 0.152 177.520 177.584 -0.360 0.000 1.134 1714 A CA -0.233 51.587 52.037 -0.362 0.000 0.831 1714 A CB 1.571 20.346 19.000 -0.374 0.000 1.288 1714 A HN 2.197 nan 8.150 nan 0.000 0.472 1715 A N 0.378 122.760 122.820 -0.730 0.000 2.468 1715 A HA 0.977 5.297 4.320 -0.000 0.000 0.270 1715 A C -0.359 176.916 177.584 -0.515 0.000 1.217 1715 A CA -0.741 50.730 52.037 -0.942 0.000 0.908 1715 A CB 1.110 19.163 19.000 -1.579 0.000 1.423 1715 A HN 0.671 nan 8.150 nan 0.000 0.459 1716 R N 0.540 120.820 120.500 -0.366 0.000 3.154 1716 R HA 0.102 4.442 4.340 -0.000 0.000 0.260 1716 R C -1.420 174.856 176.300 -0.039 0.000 1.515 1716 R CA -0.164 55.880 56.100 -0.094 0.000 0.997 1716 R CB 0.400 30.732 30.300 0.052 0.000 1.437 1716 R HN 0.945 nan 8.270 nan 0.000 0.398 1717 E N 1.842 122.038 120.200 -0.006 0.000 2.981 1717 E HA -0.135 4.215 4.350 -0.000 0.000 0.279 1717 E C 0.371 176.986 176.600 0.024 0.000 1.082 1717 E CA 0.572 56.981 56.400 0.016 0.000 1.125 1717 E CB 0.183 29.903 29.700 0.034 0.000 1.037 1717 E HN 0.412 nan 8.360 nan 0.000 0.450 1718 E N 0.881 121.096 120.200 0.026 0.000 3.994 1718 E HA 0.126 4.476 4.350 -0.000 0.000 0.569 1718 E C 1.525 178.140 176.600 0.025 0.000 0.320 1718 E CA 0.326 56.743 56.400 0.028 0.000 3.540 1718 E CB 0.087 29.806 29.700 0.031 0.000 2.366 1718 E HN 0.387 nan 8.360 nan 0.000 0.353 1719 A N 0.025 122.859 122.820 0.023 0.000 2.167 1719 A HA 0.050 4.370 4.320 -0.000 0.000 0.214 1719 A C 1.769 179.367 177.584 0.024 0.000 1.151 1719 A CA 1.409 53.458 52.037 0.020 0.000 0.735 1719 A CB -0.335 18.674 19.000 0.015 0.000 0.802 1719 A HN 0.515 nan 8.150 nan 0.000 0.467 1720 G N -1.958 106.861 108.800 0.031 0.000 2.576 1720 G HA2 0.381 4.341 3.960 -0.000 0.000 0.210 1720 G HA3 0.381 4.341 3.960 -0.000 0.000 0.210 1720 G C 0.964 175.894 174.900 0.049 0.000 1.143 1720 G CA 0.840 45.963 45.100 0.039 0.000 0.819 1720 G HN 1.327 nan 8.290 nan 0.000 0.534 1721 G N -1.191 107.641 108.800 0.054 0.000 3.609 1721 G HA2 0.101 4.061 3.960 -0.000 0.000 0.219 1721 G HA3 0.101 4.061 3.960 -0.000 0.000 0.219 1721 G C -0.177 174.757 174.900 0.056 0.000 0.951 1721 G CA 0.002 45.137 45.100 0.059 0.000 0.867 1721 G HN 0.392 nan 8.290 nan 0.000 0.478 1722 L N -0.728 120.531 121.223 0.060 0.000 2.999 1722 L HA 0.658 4.998 4.340 -0.000 0.000 0.274 1722 L C -1.183 175.697 176.870 0.016 0.000 1.044 1722 L CA -0.986 53.842 54.840 -0.020 0.000 0.943 1722 L CB 2.398 44.378 42.059 -0.132 0.000 1.522 1722 L HN -0.057 nan 8.230 nan 0.000 0.400 1723 V N 1.341 121.207 119.914 -0.080 0.000 2.850 1723 V HA 0.242 4.361 4.120 -0.000 0.000 0.284 1723 V C -0.757 175.394 176.094 0.095 0.000 0.940 1723 V CA -0.455 61.873 62.300 0.047 0.000 1.131 1723 V CB 0.563 32.427 31.823 0.068 0.000 1.024 1723 V HN 0.395 nan 8.190 nan 0.000 0.513 1724 F N 1.595 121.538 119.950 -0.012 0.000 2.629 1724 F HA 0.302 4.829 4.527 -0.000 0.000 0.369 1724 F C 0.227 176.010 175.800 -0.029 0.000 1.125 1724 F CA 0.443 58.439 58.000 -0.006 0.000 1.330 1724 F CB 0.034 38.998 39.000 -0.059 0.000 1.071 1724 F HN 0.249 nan 8.300 nan 0.000 0.595 1725 Y N 1.459 121.723 120.300 -0.060 0.000 2.364 1725 Y HA 0.288 4.838 4.550 -0.000 0.000 0.340 1725 Y C 0.461 176.312 175.900 -0.082 0.000 0.975 1725 Y CA -1.152 56.864 58.100 -0.139 0.000 1.089 1725 Y CB 0.821 39.207 38.460 -0.124 0.000 1.192 1725 Y HN 0.397 nan 8.280 nan 0.000 0.454 1726 H N 2.753 121.851 119.070 0.046 0.000 3.262 1726 H HA 0.159 4.715 4.556 -0.000 0.000 0.270 1726 H C -0.544 174.737 175.328 -0.078 0.000 1.431 1726 H CA 0.012 56.036 56.048 -0.040 0.000 1.237 1726 H CB -0.610 29.088 29.762 -0.106 0.000 1.443 1726 H HN 0.547 nan 8.280 nan 0.000 0.609 1727 Q N -0.044 119.781 119.800 0.042 0.000 2.340 1727 Q HA 0.370 4.710 4.340 -0.000 0.000 0.268 1727 Q C -0.636 175.246 176.000 -0.196 0.000 1.031 1727 Q CA -0.608 55.155 55.803 -0.066 0.000 0.804 1727 Q CB 2.840 31.557 28.738 -0.035 0.000 1.286 1727 Q HN 0.058 nan 8.270 nan 0.000 0.448 1728 V N 4.660 124.401 119.914 -0.290 0.000 2.318 1728 V HA 0.377 4.497 4.120 -0.000 0.000 0.271 1728 V C -0.381 175.558 176.094 -0.259 0.000 1.030 1728 V CA -0.467 61.585 62.300 -0.414 0.000 0.844 1728 V CB 0.182 31.511 31.823 -0.824 0.000 1.015 1728 V HN 0.623 nan 8.190 nan 0.000 0.460 1729 L N 7.896 128.962 121.223 -0.262 0.000 2.322 1729 L HA 0.546 4.886 4.340 -0.000 0.000 0.279 1729 L C -2.017 174.877 176.870 0.040 0.000 1.036 1729 L CA -1.990 52.773 54.840 -0.128 0.000 0.807 1729 L CB 2.203 44.162 42.059 -0.167 0.000 1.226 1729 L HN 0.370 nan 8.230 nan 0.000 0.433 1730 P HA 0.092 nan 4.420 nan 0.000 0.269 1730 P C 0.001 177.385 177.300 0.140 0.000 1.217 1730 P CA 0.361 63.518 63.100 0.095 0.000 0.783 1730 P CB 0.681 32.413 31.700 0.053 0.000 0.898 1731 G N 1.650 110.496 108.800 0.076 0.000 2.862 1731 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.686 1731 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.686 1731 G C -2.828 171.990 174.900 -0.137 0.000 1.134 1731 G CA -0.686 44.403 45.100 -0.018 0.000 0.791 1731 G HN 0.598 nan 8.290 nan 0.000 0.592 1732 P HA 0.371 nan 4.420 nan 0.000 0.270 1732 P C 0.480 177.515 177.300 -0.441 0.000 1.221 1732 P CA 0.718 63.737 63.100 -0.133 0.000 0.788 1732 P CB 0.497 32.198 31.700 0.002 0.000 0.904 1733 A N 1.694 124.457 122.820 -0.096 0.000 2.450 1733 A HA 0.262 4.582 4.320 -0.000 0.000 0.255 1733 A C 1.689 179.360 177.584 0.145 0.000 1.096 1733 A CA 0.159 52.230 52.037 0.058 0.000 0.778 1733 A CB -0.392 18.858 19.000 0.418 0.000 1.031 1733 A HN 0.592 nan 8.150 nan 0.000 0.494 1734 S N 3.135 118.864 115.700 0.049 0.000 2.335 1734 S HA -0.043 4.427 4.470 -0.000 0.000 0.217 1734 S C 0.923 175.502 174.600 -0.035 0.000 1.032 1734 S CA 1.045 59.237 58.200 -0.014 0.000 0.985 1734 S CB -0.354 62.835 63.200 -0.018 0.000 0.896 1734 S HN 0.722 nan 8.310 nan 0.000 0.445 1735 K N 1.370 121.798 120.400 0.047 0.000 2.209 1735 K HA 0.509 4.829 4.320 -0.000 0.000 0.238 1735 K C -0.263 176.375 176.600 0.064 0.000 1.028 1735 K CA -0.309 55.919 56.287 -0.099 0.000 0.935 1735 K CB 0.886 33.209 32.500 -0.295 0.000 1.162 1735 K HN 0.476 nan 8.250 nan 0.000 0.485 1736 S N -0.316 115.348 115.700 -0.060 0.000 2.501 1736 S HA 0.326 4.796 4.470 -0.000 0.000 0.301 1736 S C -0.347 174.145 174.600 -0.180 0.000 1.096 1736 S CA -0.687 57.641 58.200 0.213 0.000 1.063 1736 S CB 0.554 63.929 63.200 0.292 0.000 1.042 1736 S HN 0.583 nan 8.310 nan 0.000 0.494 1737 Y N 1.421 121.773 120.300 0.087 0.000 2.481 1737 Y HA 0.328 4.878 4.550 -0.000 0.000 0.247 1737 Y C 2.164 178.070 175.900 0.010 0.000 1.151 1737 Y CA -0.168 57.943 58.100 0.019 0.000 1.238 1737 Y CB -0.239 38.207 38.460 -0.023 0.000 1.179 1737 Y HN 0.914 nan 8.280 nan 0.000 0.524 1738 G N 1.019 109.874 108.800 0.091 0.000 2.900 1738 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.212 1738 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.212 1738 G C 1.694 176.629 174.900 0.058 0.000 1.359 1738 G CA 2.494 47.628 45.100 0.057 0.000 0.800 1738 G HN 0.191 nan 8.290 nan 0.000 0.680 1739 V N 0.427 120.364 119.914 0.038 0.000 2.357 1739 V HA -0.272 3.848 4.120 -0.000 0.000 0.257 1739 V C 2.575 178.691 176.094 0.037 0.000 1.082 1739 V CA 2.717 65.034 62.300 0.029 0.000 1.078 1739 V CB -0.938 30.891 31.823 0.009 0.000 0.663 1739 V HN 0.343 nan 8.190 nan 0.000 0.455 1740 E N 0.683 120.906 120.200 0.038 0.000 1.997 1740 E HA -0.137 4.213 4.350 -0.000 0.000 0.201 1740 E C 2.247 178.906 176.600 0.100 0.000 1.011 1740 E CA 1.591 58.028 56.400 0.062 0.000 0.847 1740 E CB -1.065 28.690 29.700 0.091 0.000 0.787 1740 E HN 0.339 nan 8.360 nan 0.000 0.472 1741 V N 1.424 121.426 119.914 0.148 0.000 2.236 1741 V HA -0.404 3.716 4.120 -0.000 0.000 0.255 1741 V C 2.237 178.405 176.094 0.123 0.000 1.068 1741 V CA 2.475 64.885 62.300 0.184 0.000 1.044 1741 V CB -1.226 30.717 31.823 0.200 0.000 0.653 1741 V HN 0.445 nan 8.190 nan 0.000 0.448 1742 A N 0.033 122.907 122.820 0.090 0.000 1.870 1742 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 1742 A C 1.735 179.355 177.584 0.060 0.000 1.224 1742 A CA 2.002 54.078 52.037 0.066 0.000 0.650 1742 A CB -1.114 17.917 19.000 0.052 0.000 0.836 1742 A HN 0.892 nan 8.150 nan 0.000 0.454 1746 G N -0.453 108.373 108.800 0.043 0.000 2.507 1746 G HA2 0.097 4.057 3.960 -0.000 0.000 0.205 1746 G HA3 0.097 4.057 3.960 -0.000 0.000 0.205 1746 G C -0.002 174.916 174.900 0.029 0.000 0.996 1746 G CA -0.099 45.022 45.100 0.034 0.000 0.776 1746 G HN 0.610 nan 8.290 nan 0.000 0.532 1747 L N 1.701 122.943 121.223 0.032 0.000 2.514 1747 L HA 0.265 4.605 4.340 -0.000 0.000 0.280 1747 L C -1.499 175.384 176.870 0.023 0.000 1.223 1747 L CA -1.070 53.787 54.840 0.027 0.000 0.864 1747 L CB 0.405 42.482 42.059 0.030 0.000 1.118 1747 L HN -0.042 nan 8.230 nan 0.000 0.494 1748 P HA 0.041 nan 4.420 nan 0.000 0.267 1748 P C 0.030 177.339 177.300 0.015 0.000 1.205 1748 P CA -0.113 62.996 63.100 0.016 0.000 0.765 1748 P CB 0.581 32.289 31.700 0.014 0.000 0.828 1749 K N 2.053 122.461 120.400 0.014 0.000 2.113 1749 K HA -0.243 4.077 4.320 -0.000 0.000 0.208 1749 K C 1.391 177.997 176.600 0.010 0.000 1.047 1749 K CA 1.806 58.101 56.287 0.012 0.000 0.928 1749 K CB -0.034 32.473 32.500 0.011 0.000 0.716 1749 K HN 0.507 nan 8.250 nan 0.000 0.446 1750 E N 0.316 120.522 120.200 0.009 0.000 2.047 1750 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 1750 E C 2.022 178.627 176.600 0.008 0.000 0.987 1750 E CA 1.060 57.464 56.400 0.008 0.000 0.799 1750 E CB -0.471 29.233 29.700 0.007 0.000 0.752 1750 E HN 0.021 nan 8.360 nan 0.000 0.449 1751 V N 0.980 120.900 119.914 0.011 0.000 2.287 1751 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 1751 V C 2.307 178.408 176.094 0.013 0.000 1.053 1751 V CA 1.677 63.985 62.300 0.012 0.000 1.027 1751 V CB -0.808 31.024 31.823 0.015 0.000 0.646 1751 V HN 0.134 nan 8.190 nan 0.000 0.447 1752 V N 0.551 120.473 119.914 0.014 0.000 2.332 1752 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 1752 V C 2.735 178.833 176.094 0.008 0.000 1.055 1752 V CA 2.047 64.356 62.300 0.014 0.000 1.038 1752 V CB -1.434 30.398 31.823 0.015 0.000 0.651 1752 V HN 0.551 nan 8.190 nan 0.000 0.450 1753 A N 0.960 123.784 122.820 0.006 0.000 1.834 1753 A HA -0.288 4.032 4.320 -0.000 0.000 0.216 1753 A C 2.298 179.883 177.584 0.002 0.000 1.203 1753 A CA 2.337 54.376 52.037 0.002 0.000 0.621 1753 A CB -0.726 18.276 19.000 0.002 0.000 0.841 1753 A HN 0.444 nan 8.150 nan 0.000 0.446 1754 R N 0.357 120.859 120.500 0.004 0.000 2.276 1754 R HA -0.109 4.231 4.340 -0.000 0.000 0.243 1754 R C 1.716 178.019 176.300 0.006 0.000 1.161 1754 R CA 1.853 57.956 56.100 0.004 0.000 1.007 1754 R CB -0.881 29.422 30.300 0.006 0.000 0.867 1754 R HN 0.481 nan 8.270 nan 0.000 0.472 1755 A N -0.054 122.770 122.820 0.007 0.000 1.862 1755 A HA 0.070 4.390 4.320 -0.000 0.000 0.211 1755 A C 2.070 179.656 177.584 0.004 0.000 1.220 1755 A CA 0.750 52.793 52.037 0.009 0.000 0.616 1755 A CB -0.270 18.738 19.000 0.014 0.000 0.878 1755 A HN 0.295 nan 8.150 nan 0.000 0.453 1756 R N -0.053 120.447 120.500 -0.001 0.000 2.117 1756 R HA -0.162 4.178 4.340 -0.000 0.000 0.243 1756 R C 2.398 178.691 176.300 -0.012 0.000 1.143 1756 R CA 1.243 57.337 56.100 -0.010 0.000 0.968 1756 R CB -0.544 29.747 30.300 -0.015 0.000 0.863 1756 R HN 0.532 nan 8.270 nan 0.000 0.444 1757 A N 1.591 124.406 122.820 -0.008 0.000 1.824 1757 A HA -0.165 4.155 4.320 -0.000 0.000 0.215 1757 A C 2.203 179.783 177.584 -0.007 0.000 1.209 1757 A CA 1.192 53.224 52.037 -0.008 0.000 0.614 1757 A CB -0.944 18.053 19.000 -0.005 0.000 0.852 1757 A HN 0.205 nan 8.150 nan 0.000 0.447 1758 L N -0.499 120.723 121.223 -0.002 0.000 2.171 1758 L HA -0.272 4.068 4.340 -0.000 0.000 0.216 1758 L C 2.614 179.484 176.870 0.001 0.000 1.084 1758 L CA 1.466 56.307 54.840 0.001 0.000 0.771 1758 L CB -0.560 41.503 42.059 0.006 0.000 0.890 1758 L HN 0.550 nan 8.230 nan 0.000 0.437 1759 L N -0.696 120.526 121.223 -0.000 0.000 1.961 1759 L HA -0.299 4.041 4.340 -0.000 0.000 0.210 1759 L C 2.659 179.521 176.870 -0.013 0.000 1.072 1759 L CA 1.558 56.397 54.840 -0.002 0.000 0.749 1759 L CB -0.203 41.853 42.059 -0.005 0.000 0.889 1759 L HN 0.274 nan 8.230 nan 0.000 0.432 1760 Q N 0.422 120.210 119.800 -0.021 0.000 2.047 1760 Q HA -0.179 4.161 4.340 -0.000 0.000 0.211 1760 Q C 1.115 177.101 176.000 -0.023 0.000 1.005 1760 Q CA 1.913 57.700 55.803 -0.028 0.000 0.866 1760 Q CB -0.495 28.227 28.738 -0.027 0.000 0.938 1760 Q HN 0.685 nan 8.270 nan 0.000 0.414 1761 A N 0.000 122.810 122.820 -0.016 0.000 2.254 1761 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 1761 A CA 0.000 52.029 52.037 -0.013 0.000 0.836 1761 A CB 0.000 18.994 19.000 -0.009 0.000 0.831 1761 A HN 0.000 nan 8.150 nan 0.000 0.486