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 1yrz_1_A DATA FIRST_RESID 1004 DATA SEQUENCE RIQNPILPGF HPDPSIVRVG DDYYIATSTF EWFPGVRIHH SRDLKHWRFV DATA SEQUENCE SSPLTRTSQL DMKGNMNSGG IWAPCLSYHD GTFYLIYTDV KQWHGAFKDA DATA SEQUENCE HNYLVTAQNI EGPWSDPIYL NSSGFDPSLF HDDDGRKWLV NMIWDYRKGN DATA SEQUENCE HPFAGIILQE YSEAEQKLVG PVKNIYKGTD IQLTEGPHLY KKDGYYYLLV DATA SEQUENCE AEGGTEYEHA ATLARSQSID GPYETDPSYP LVTSTGQPEL ALQKAGHGSL DATA SEQUENCE VETQNGEWYL AHLCGRPLKG KYCTLGRETA IQKVNWTEDG WLRIEDGGNH DATA SEQUENCE PLREVTAPDL PEHPFEKEPE LDDFDAPQLH HQWNTLRIPA DPSWCSLEER DATA SEQUENCE PGHLRLRGME SLTSVHSQSL VARRQQSFHC EVETKLEYQP ESFQHMAGLV DATA SEQUENCE IYYDTEDHVY LHVTWHEEKG KCLQIIQTKG GNYDELLASP IPLAEEKAVY DATA SEQUENCE LKGRIHRETM HLYFKQEGEA EWQPVGPTID VTHMSDDSAK QVRFTGTFVG DATA SEQUENCE MATQDLSGTK KPADFDYFRY KE 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 1004 R HA 0.000 nan 4.340 nan 0.000 0.208 1004 R C 0.000 176.290 176.300 -0.017 0.000 0.893 1004 R CA 0.000 56.101 56.100 0.001 0.000 0.921 1004 R CB 0.000 30.299 30.300 -0.003 0.000 0.687 1005 I N 3.720 124.286 120.570 -0.005 0.000 2.533 1005 I HA 0.026 4.195 4.170 -0.002 0.000 0.284 1005 I C -0.096 176.022 176.117 0.002 0.000 1.109 1005 I CA 0.639 61.929 61.300 -0.016 0.000 1.412 1005 I CB 0.783 38.792 38.000 0.015 0.000 1.396 1005 I HN 0.087 nan 8.210 nan 0.000 0.543 1006 Q N 5.868 125.660 119.800 -0.013 0.000 2.347 1006 Q HA 0.343 4.682 4.340 -0.002 0.000 0.262 1006 Q C -0.815 175.182 176.000 -0.005 0.000 0.980 1006 Q CA -0.768 55.036 55.803 0.002 0.000 0.867 1006 Q CB 1.559 30.298 28.738 0.002 0.000 1.242 1006 Q HN 0.516 nan 8.270 nan 0.000 0.453 1007 N N 3.375 122.078 118.700 0.005 0.000 2.515 1007 N HA 0.371 5.110 4.740 -0.002 0.000 0.279 1007 N C -2.362 173.149 175.510 0.001 0.000 1.164 1007 N CA -1.376 51.664 53.050 -0.017 0.000 0.982 1007 N CB 0.855 39.340 38.487 -0.003 0.000 1.170 1007 N HN 0.362 nan 8.380 nan 0.000 0.474 1008 P HA 0.228 nan 4.420 nan 0.000 0.279 1008 P C 0.809 178.025 177.300 -0.140 0.000 1.239 1008 P CA -0.272 62.772 63.100 -0.093 0.000 0.789 1008 P CB 1.368 33.017 31.700 -0.085 0.000 0.933 1009 I N 1.303 121.736 120.570 -0.230 0.000 2.439 1009 I HA -0.066 4.103 4.170 -0.002 0.000 0.251 1009 I C 0.855 176.713 176.117 -0.432 0.000 1.139 1009 I CA 1.080 62.196 61.300 -0.306 0.000 1.438 1009 I CB 0.129 37.848 38.000 -0.469 0.000 1.085 1009 I HN 0.235 nan 8.210 nan 0.000 0.427 1010 L N 3.107 124.030 121.223 -0.501 0.000 2.445 1010 L HA 0.361 4.700 4.340 -0.002 0.000 0.252 1010 L C -2.407 174.235 176.870 -0.380 0.000 1.105 1010 L CA -1.775 52.662 54.840 -0.671 0.000 0.943 1010 L CB 0.665 42.130 42.059 -0.989 0.000 1.277 1010 L HN -0.142 nan 8.230 nan 0.000 0.465 1011 P HA 0.221 nan 4.420 nan 0.000 0.272 1011 P C 0.431 177.768 177.300 0.063 0.000 1.223 1011 P CA 0.695 63.750 63.100 -0.074 0.000 0.784 1011 P CB 1.436 33.088 31.700 -0.081 0.000 0.923 1012 G N 1.960 110.767 108.800 0.012 0.000 2.796 1012 G HA2 -0.248 3.710 3.960 -0.002 0.000 0.571 1012 G HA3 -0.248 3.710 3.960 -0.002 0.000 0.571 1012 G C -0.658 174.265 174.900 0.039 0.000 1.370 1012 G CA -0.528 44.565 45.100 -0.012 0.000 0.856 1012 G HN 0.540 nan 8.290 nan 0.000 0.538 1013 F N 2.397 122.161 119.950 -0.311 0.000 2.447 1013 F HA 0.402 4.928 4.527 -0.002 0.000 0.339 1013 F C 0.772 176.216 175.800 -0.594 0.000 1.196 1013 F CA 0.308 58.111 58.000 -0.328 0.000 0.969 1013 F CB -0.854 37.968 39.000 -0.296 0.000 1.106 1013 F HN 0.519 nan 8.300 nan 0.000 0.594 1014 H N 4.942 123.904 119.070 -0.180 0.000 2.643 1014 H HA 0.299 4.854 4.556 -0.002 0.000 0.229 1014 H C -2.638 172.602 175.328 -0.147 0.000 1.410 1014 H CA -1.402 54.483 56.048 -0.272 0.000 1.458 1014 H CB 0.493 30.111 29.762 -0.241 0.000 1.792 1014 H HN 0.319 nan 8.280 nan 0.000 0.563 1015 P HA 0.114 nan 4.420 nan 0.000 0.278 1015 P C -0.271 177.021 177.300 -0.014 0.000 1.266 1015 P CA -0.474 62.648 63.100 0.038 0.000 0.807 1015 P CB 0.731 32.518 31.700 0.145 0.000 1.094 1016 D N -1.676 118.693 120.400 -0.053 0.000 2.802 1016 D HA -0.127 4.512 4.640 -0.002 0.000 0.229 1016 D C -1.949 174.390 176.300 0.066 0.000 1.203 1016 D CA 0.422 54.352 54.000 -0.116 0.000 0.712 1016 D CB -1.458 39.139 40.800 -0.338 0.000 0.973 1016 D HN 0.351 nan 8.370 nan 0.000 0.407 1017 P HA 0.047 nan 4.420 nan 0.000 0.267 1017 P C -0.274 177.125 177.300 0.164 0.000 1.205 1017 P CA 0.047 63.197 63.100 0.084 0.000 0.765 1017 P CB 1.343 33.045 31.700 0.003 0.000 0.828 1018 S N 4.259 120.048 115.700 0.149 0.000 2.601 1018 S HA 0.444 4.913 4.470 -0.002 0.000 0.312 1018 S C -0.327 174.379 174.600 0.178 0.000 1.107 1018 S CA -0.854 57.446 58.200 0.165 0.000 1.129 1018 S CB -0.400 62.915 63.200 0.192 0.000 0.982 1018 S HN 0.432 nan 8.310 nan 0.000 0.469 1019 I N 5.329 126.011 120.570 0.186 0.000 2.488 1019 I HA 0.747 4.915 4.170 -0.002 0.000 0.299 1019 I C -1.150 175.143 176.117 0.293 0.000 0.984 1019 I CA -0.462 60.986 61.300 0.247 0.000 1.250 1019 I CB 1.441 39.579 38.000 0.229 0.000 1.389 1019 I HN 0.413 nan 8.210 nan 0.000 0.488 1020 V N 6.543 126.664 119.914 0.345 0.000 3.077 1020 V HA 0.430 4.549 4.120 -0.002 0.000 0.299 1020 V C -0.781 175.464 176.094 0.251 0.000 1.276 1020 V CA -0.800 61.692 62.300 0.321 0.000 0.993 1020 V CB 2.239 34.288 31.823 0.376 0.000 1.076 1020 V HN 0.746 nan 8.190 nan 0.000 0.434 1021 R N 2.342 122.894 120.500 0.087 0.000 2.387 1021 R HA 0.806 5.144 4.340 -0.002 0.000 0.314 1021 R C -1.828 174.371 176.300 -0.168 0.000 0.958 1021 R CA -0.366 55.603 56.100 -0.218 0.000 0.846 1021 R CB 1.869 31.899 30.300 -0.450 0.000 1.147 1021 R HN 0.512 nan 8.270 nan 0.000 0.447 1022 V N 6.001 125.782 119.914 -0.223 0.000 2.305 1022 V HA 0.426 4.544 4.120 -0.002 0.000 0.275 1022 V C 0.965 176.894 176.094 -0.276 0.000 1.020 1022 V CA 0.325 62.438 62.300 -0.312 0.000 0.811 1022 V CB 0.473 32.047 31.823 -0.415 0.000 1.031 1022 V HN 1.177 nan 8.190 nan 0.000 0.439 1023 G N 4.681 113.336 108.800 -0.242 0.000 2.574 1023 G HA2 -0.275 3.684 3.960 -0.002 0.000 0.301 1023 G HA3 -0.275 3.684 3.960 -0.002 0.000 0.301 1023 G C 0.409 175.164 174.900 -0.243 0.000 1.166 1023 G CA 0.633 45.618 45.100 -0.192 0.000 0.971 1023 G HN 0.570 nan 8.290 nan 0.000 0.542 1024 D N 2.265 122.543 120.400 -0.203 0.000 2.363 1024 D HA 0.208 4.847 4.640 -0.002 0.000 0.214 1024 D C -0.071 176.081 176.300 -0.247 0.000 1.093 1024 D CA 0.317 54.195 54.000 -0.202 0.000 0.837 1024 D CB 0.251 40.983 40.800 -0.114 0.000 0.948 1024 D HN 0.409 nan 8.370 nan 0.000 0.507 1025 D N 0.322 120.544 120.400 -0.297 0.000 2.185 1025 D HA 0.227 4.866 4.640 -0.002 0.000 0.247 1025 D C -0.433 175.532 176.300 -0.558 0.000 1.027 1025 D CA -0.271 53.556 54.000 -0.287 0.000 0.861 1025 D CB 1.516 42.214 40.800 -0.169 0.000 1.202 1025 D HN -0.026 nan 8.370 nan 0.000 0.453 1026 Y N 0.874 120.892 120.300 -0.471 0.000 2.393 1026 Y HA 0.390 4.938 4.550 -0.003 0.000 0.341 1026 Y C -0.526 175.140 175.900 -0.390 0.000 0.988 1026 Y CA -0.785 57.127 58.100 -0.314 0.000 1.078 1026 Y CB 1.447 39.770 38.460 -0.227 0.000 1.203 1026 Y HN 0.247 nan 8.280 nan 0.000 0.453 1027 Y N 2.576 123.132 120.300 0.427 0.000 2.512 1027 Y HA 0.679 5.228 4.550 -0.003 0.000 0.348 1027 Y C -0.695 175.415 175.900 0.350 0.000 0.990 1027 Y CA -1.366 56.965 58.100 0.385 0.000 1.033 1027 Y CB 1.880 40.482 38.460 0.238 0.000 1.259 1027 Y HN 0.347 nan 8.280 nan 0.000 0.461 1028 I N 2.358 123.189 120.570 0.435 0.000 2.478 1028 I HA 0.659 4.828 4.170 -0.002 0.000 0.287 1028 I C -0.739 175.475 176.117 0.161 0.000 1.042 1028 I CA -0.927 60.500 61.300 0.212 0.000 1.067 1028 I CB 1.744 39.722 38.000 -0.037 0.000 1.233 1028 I HN 0.730 nan 8.210 nan 0.000 0.431 1029 A N 4.388 127.284 122.820 0.126 0.000 2.305 1029 A HA 0.866 5.184 4.320 -0.002 0.000 0.322 1029 A C -0.062 177.553 177.584 0.052 0.000 1.187 1029 A CA -0.385 51.690 52.037 0.064 0.000 0.825 1029 A CB 0.957 19.987 19.000 0.049 0.000 1.164 1029 A HN 0.701 nan 8.150 nan 0.000 0.498 1030 T N -0.650 113.915 114.554 0.019 0.000 2.916 1030 T HA 0.693 5.041 4.350 -0.002 0.000 0.292 1030 T C 0.139 174.783 174.700 -0.093 0.000 1.055 1030 T CA -0.179 61.910 62.100 -0.019 0.000 1.009 1030 T CB 1.152 70.019 68.868 -0.001 0.000 1.118 1030 T HN 1.086 nan 8.240 nan 0.000 0.497 1031 S N 0.619 116.247 115.700 -0.121 0.000 2.585 1031 S HA 0.418 4.887 4.470 -0.002 0.000 0.273 1031 S C 1.044 175.539 174.600 -0.174 0.000 1.339 1031 S CA -0.040 58.044 58.200 -0.194 0.000 1.028 1031 S CB 0.624 63.648 63.200 -0.293 0.000 0.906 1031 S HN 1.125 nan 8.310 nan 0.000 0.528 1032 T N -2.230 112.269 114.554 -0.092 0.000 3.016 1032 T HA 0.327 4.675 4.350 -0.002 0.000 0.271 1032 T C 0.524 175.612 174.700 0.647 0.000 0.968 1032 T CA -0.235 62.021 62.100 0.261 0.000 0.891 1032 T CB -0.844 68.095 68.868 0.119 0.000 1.149 1032 T HN 0.540 nan 8.240 nan 0.000 0.524 1033 F N 2.778 122.941 119.950 0.355 0.000 2.756 1033 F HA -0.354 4.172 4.527 -0.003 0.000 0.240 1033 F C 1.900 177.829 175.800 0.215 0.000 1.487 1033 F CA 1.969 60.154 58.000 0.308 0.000 1.859 1033 F CB -1.076 38.104 39.000 0.300 0.000 1.319 1033 F HN 0.326 nan 8.300 nan 0.000 0.230 1034 E N 0.629 121.015 120.200 0.310 0.000 2.511 1034 E HA -0.061 4.288 4.350 -0.002 0.000 0.196 1034 E C -0.077 176.463 176.600 -0.099 0.000 1.066 1034 E CA 0.622 57.034 56.400 0.020 0.000 0.871 1034 E CB -0.411 29.193 29.700 -0.159 0.000 0.863 1034 E HN 0.501 nan 8.360 nan 0.000 0.520 1035 W N 1.048 122.433 121.300 0.142 0.000 2.287 1035 W HA 0.361 5.020 4.660 -0.002 0.000 0.313 1035 W C -0.183 176.432 176.519 0.160 0.000 1.267 1035 W CA -0.751 56.654 57.345 0.100 0.000 1.201 1035 W CB 0.384 29.905 29.460 0.101 0.000 1.196 1035 W HN -0.125 nan 8.180 nan 0.000 0.536 1036 F N 6.543 126.641 119.950 0.247 0.000 2.450 1036 F HA 0.500 5.025 4.527 -0.002 0.000 0.332 1036 F C -1.599 174.309 175.800 0.181 0.000 1.093 1036 F CA -2.865 55.228 58.000 0.155 0.000 1.003 1036 F CB 1.100 40.153 39.000 0.087 0.000 1.151 1036 F HN 0.095 nan 8.300 nan 0.000 0.474 1037 P HA 0.201 nan 4.420 nan 0.000 0.274 1037 P C -0.620 176.358 177.300 -0.537 0.000 1.246 1037 P CA -0.276 62.277 63.100 -0.912 0.000 0.795 1037 P CB 0.802 32.200 31.700 -0.503 0.000 1.006 1038 G N -0.111 108.289 108.800 -0.667 0.000 2.395 1038 G HA2 0.465 4.423 3.960 -0.002 0.000 0.283 1038 G HA3 0.465 4.423 3.960 -0.002 0.000 0.283 1038 G C -0.582 174.100 174.900 -0.362 0.000 1.178 1038 G CA -0.572 44.294 45.100 -0.389 0.000 0.837 1038 G HN 0.454 nan 8.290 nan 0.000 0.518 1039 V N 0.110 119.873 119.914 -0.252 0.000 3.493 1039 V HA -0.183 3.936 4.120 -0.002 0.000 0.498 1039 V C 0.304 176.280 176.094 -0.197 0.000 0.682 1039 V CA 0.507 62.665 62.300 -0.236 0.000 2.046 1039 V CB -0.725 30.900 31.823 -0.330 0.000 2.479 1039 V HN 1.169 nan 8.190 nan 0.000 0.507 1040 R N 4.698 125.130 120.500 -0.113 0.000 2.393 1040 R HA 0.811 5.150 4.340 -0.002 0.000 0.310 1040 R C -0.550 175.683 176.300 -0.112 0.000 0.968 1040 R CA -0.676 55.396 56.100 -0.047 0.000 0.867 1040 R CB 1.270 31.623 30.300 0.089 0.000 1.124 1040 R HN 0.698 nan 8.270 nan 0.000 0.450 1041 I N 4.073 124.450 120.570 -0.322 0.000 2.436 1041 I HA 0.339 4.508 4.170 -0.002 0.000 0.289 1041 I C -0.233 175.601 176.117 -0.472 0.000 1.010 1041 I CA -0.796 60.333 61.300 -0.286 0.000 1.098 1041 I CB 1.614 39.433 38.000 -0.302 0.000 1.266 1041 I HN 0.513 nan 8.210 nan 0.000 0.434 1042 H N 4.410 123.488 119.070 0.013 0.000 2.573 1042 H HA 0.464 5.019 4.556 -0.003 0.000 0.351 1042 H C -1.174 174.394 175.328 0.400 0.000 1.163 1042 H CA -0.515 55.608 56.048 0.126 0.000 1.205 1042 H CB 2.637 32.472 29.762 0.120 0.000 1.605 1042 H HN 0.589 nan 8.280 nan 0.000 0.525 1043 H N 0.431 119.691 119.070 0.318 0.000 2.690 1043 H HA 0.436 4.990 4.556 -0.003 0.000 0.368 1043 H C -1.290 173.979 175.328 -0.098 0.000 1.150 1043 H CA -0.376 55.737 56.048 0.110 0.000 1.174 1043 H CB 2.334 32.096 29.762 -0.001 0.000 1.684 1043 H HN 0.569 nan 8.280 nan 0.000 0.538 1044 S N 2.615 117.681 115.700 -1.057 0.000 2.570 1044 S HA 0.313 4.782 4.470 -0.002 0.000 0.270 1044 S C 0.005 174.085 174.600 -0.867 0.000 1.149 1044 S CA -0.752 56.747 58.200 -1.168 0.000 0.837 1044 S CB 2.006 63.821 63.200 -2.308 0.000 1.124 1044 S HN 0.875 nan 8.310 nan 0.000 0.465 1045 R N 0.320 120.449 120.500 -0.618 0.000 2.469 1045 R HA 0.249 4.587 4.340 -0.002 0.000 0.250 1045 R C -0.172 175.956 176.300 -0.287 0.000 0.909 1045 R CA 0.862 56.737 56.100 -0.374 0.000 1.050 1045 R CB 0.156 30.122 30.300 -0.556 0.000 1.256 1045 R HN 0.717 nan 8.270 nan 0.000 0.550 1046 D N -1.100 119.049 120.400 -0.418 0.000 2.525 1046 D HA 0.070 4.709 4.640 -0.002 0.000 0.231 1046 D C 0.792 176.795 176.300 -0.495 0.000 1.216 1046 D CA -0.192 53.596 54.000 -0.353 0.000 0.813 1046 D CB 0.120 40.810 40.800 -0.183 0.000 1.108 1046 D HN 0.164 nan 8.370 nan 0.000 0.524 1047 L N -1.117 119.675 121.223 -0.719 0.000 5.081 1047 L HA -0.331 4.007 4.340 -0.002 0.000 0.423 1047 L C 1.546 178.298 176.870 -0.196 0.000 1.019 1047 L CA 1.485 55.995 54.840 -0.550 0.000 1.223 1047 L CB -1.142 40.541 42.059 -0.627 0.000 1.940 1047 L HN 0.230 nan 8.230 nan 0.000 0.675 1048 K N -0.277 119.927 120.400 -0.326 0.000 2.262 1048 K HA 0.102 4.420 4.320 -0.002 0.000 0.200 1048 K C 0.373 176.743 176.600 -0.383 0.000 1.058 1048 K CA 0.385 56.501 56.287 -0.285 0.000 0.974 1048 K CB 0.317 32.587 32.500 -0.385 0.000 0.910 1048 K HN 0.377 nan 8.250 nan 0.000 0.484 1049 H N -1.247 117.675 119.070 -0.247 0.000 2.459 1049 H HA 0.295 4.850 4.556 -0.001 0.000 0.332 1049 H C -1.476 173.728 175.328 -0.207 0.000 1.094 1049 H CA -0.543 55.447 56.048 -0.097 0.000 1.224 1049 H CB 0.843 30.508 29.762 -0.161 0.000 1.449 1049 H HN 0.070 nan 8.280 nan 0.000 0.484 1050 W N 2.025 123.512 121.300 0.311 0.000 2.864 1050 W HA 0.574 5.233 4.660 -0.000 0.000 0.343 1050 W C -0.453 176.137 176.519 0.119 0.000 1.109 1050 W CA -1.031 56.434 57.345 0.200 0.000 1.192 1050 W CB 1.564 31.022 29.460 -0.004 0.000 1.426 1050 W HN 0.603 nan 8.180 nan 0.000 0.529 1051 R N 1.091 121.658 120.500 0.112 0.000 2.774 1051 R HA 0.713 5.052 4.340 -0.002 0.000 0.272 1051 R C -1.503 174.869 176.300 0.119 0.000 1.000 1051 R CA -0.988 55.083 56.100 -0.048 0.000 0.906 1051 R CB 1.641 31.523 30.300 -0.697 0.000 1.227 1051 R HN 0.405 nan 8.270 nan 0.000 0.468 1052 F N 2.498 122.400 119.950 -0.080 0.000 2.443 1052 F HA 0.259 4.784 4.527 -0.003 0.000 0.353 1052 F C 0.679 176.251 175.800 -0.379 0.000 1.101 1052 F CA 0.131 57.900 58.000 -0.384 0.000 1.226 1052 F CB 1.458 40.150 39.000 -0.513 0.000 1.140 1052 F HN 0.438 nan 8.300 nan 0.000 0.557 1053 V N 0.621 119.822 119.914 -1.187 0.000 3.371 1053 V HA 0.395 4.514 4.120 -0.002 0.000 0.246 1053 V C 0.068 175.552 176.094 -1.016 0.000 1.303 1053 V CA 0.641 62.464 62.300 -0.795 0.000 1.156 1053 V CB -0.416 31.186 31.823 -0.370 0.000 0.929 1053 V HN 0.958 nan 8.190 nan 0.000 0.459 1054 S N -0.930 113.839 115.700 -1.551 0.000 2.645 1054 S HA 0.592 5.061 4.470 -0.002 0.000 0.268 1054 S C -0.906 173.355 174.600 -0.566 0.000 1.110 1054 S CA 0.214 57.916 58.200 -0.830 0.000 0.823 1054 S CB 1.379 64.367 63.200 -0.352 0.000 1.091 1054 S HN 0.896 nan 8.310 nan 0.000 0.466 1055 S N 1.256 116.851 115.700 -0.175 0.000 2.746 1055 S HA 0.617 5.085 4.470 -0.002 0.000 0.273 1055 S C -2.274 172.118 174.600 -0.345 0.000 1.172 1055 S CA -1.423 56.661 58.200 -0.193 0.000 1.116 1055 S CB 1.019 64.215 63.200 -0.006 0.000 1.057 1055 S HN 0.501 nan 8.310 nan 0.000 0.483 1056 P HA -0.038 nan 4.420 nan 0.000 0.216 1056 P C -0.217 176.718 177.300 -0.608 0.000 1.153 1056 P CA 1.022 63.489 63.100 -1.055 0.000 0.858 1056 P CB 0.062 30.687 31.700 -1.791 0.000 0.789 1057 L N 0.124 121.006 121.223 -0.568 0.000 2.356 1057 L HA 0.208 4.547 4.340 -0.002 0.000 0.282 1057 L C 1.029 177.619 176.870 -0.467 0.000 1.132 1057 L CA 0.016 54.572 54.840 -0.475 0.000 0.923 1057 L CB -0.089 41.609 42.059 -0.603 0.000 1.278 1057 L HN 0.041 nan 8.230 nan 0.000 0.436 1058 T N -1.572 112.864 114.554 -0.196 0.000 3.003 1058 T HA 0.242 4.591 4.350 -0.002 0.000 0.261 1058 T C 0.800 175.680 174.700 0.300 0.000 1.003 1058 T CA -0.331 61.758 62.100 -0.018 0.000 0.917 1058 T CB 0.322 69.211 68.868 0.034 0.000 1.084 1058 T HN 0.380 nan 8.240 nan 0.000 0.522 1059 R N 1.283 121.918 120.500 0.225 0.000 2.711 1059 R HA 0.480 4.818 4.340 -0.002 0.000 0.284 1059 R C 1.390 177.819 176.300 0.215 0.000 0.968 1059 R CA -0.058 56.168 56.100 0.209 0.000 0.924 1059 R CB 1.252 31.619 30.300 0.112 0.000 1.162 1059 R HN 0.244 nan 8.270 nan 0.000 0.465 1060 T N -2.453 112.179 114.554 0.130 0.000 2.962 1060 T HA -0.171 4.177 4.350 -0.002 0.000 0.270 1060 T C 1.765 176.499 174.700 0.058 0.000 1.088 1060 T CA 1.536 63.682 62.100 0.077 0.000 1.127 1060 T CB -0.170 68.698 68.868 0.002 0.000 0.883 1060 T HN 0.601 nan 8.240 nan 0.000 0.493 1061 S N 1.179 116.912 115.700 0.054 0.000 2.447 1061 S HA -0.090 4.378 4.470 -0.002 0.000 0.233 1061 S C 2.061 176.677 174.600 0.027 0.000 1.006 1061 S CA 0.568 58.789 58.200 0.036 0.000 0.957 1061 S CB -0.418 62.808 63.200 0.042 0.000 0.773 1061 S HN 0.686 nan 8.310 nan 0.000 0.507 1062 Q N -0.405 119.422 119.800 0.045 0.000 2.304 1062 Q HA 0.427 4.765 4.340 -0.002 0.000 0.204 1062 Q C -0.453 175.554 176.000 0.011 0.000 0.936 1062 Q CA 0.329 56.151 55.803 0.032 0.000 0.878 1062 Q CB 0.281 29.024 28.738 0.008 0.000 0.983 1062 Q HN 0.449 nan 8.270 nan 0.000 0.516 1063 L N 1.204 122.465 121.223 0.063 0.000 2.491 1063 L HA 0.358 4.697 4.340 -0.002 0.000 0.267 1063 L C -2.108 174.862 176.870 0.167 0.000 0.971 1063 L CA -0.458 54.447 54.840 0.109 0.000 0.857 1063 L CB 2.086 44.195 42.059 0.083 0.000 1.226 1063 L HN -0.148 nan 8.230 nan 0.000 0.408 1064 D N 4.970 125.426 120.400 0.093 0.000 2.464 1064 D HA 0.382 5.021 4.640 -0.002 0.000 0.243 1064 D C 0.165 176.497 176.300 0.054 0.000 1.104 1064 D CA -0.082 53.951 54.000 0.054 0.000 0.883 1064 D CB 0.849 41.665 40.800 0.026 0.000 1.050 1064 D HN 0.611 nan 8.370 nan 0.000 0.524 1065 M N 1.760 121.386 119.600 0.044 0.000 2.356 1065 M HA 0.128 4.607 4.480 -0.002 0.000 0.262 1065 M C 0.735 176.997 176.300 -0.063 0.000 1.097 1065 M CA -0.381 54.933 55.300 0.023 0.000 0.991 1065 M CB 0.290 32.934 32.600 0.072 0.000 1.450 1065 M HN 0.136 nan 8.290 nan 0.000 0.495 1066 K N 1.422 121.767 120.400 -0.091 0.000 2.472 1066 K HA 0.106 4.425 4.320 -0.002 0.000 0.280 1066 K C 1.042 177.493 176.600 -0.248 0.000 1.028 1066 K CA 1.238 57.429 56.287 -0.161 0.000 1.045 1066 K CB 0.162 32.607 32.500 -0.092 0.000 0.902 1066 K HN 0.471 nan 8.250 nan 0.000 0.478 1067 G N 2.730 111.228 108.800 -0.502 0.000 2.195 1067 G HA2 -0.250 3.708 3.960 -0.002 0.000 0.246 1067 G HA3 -0.250 3.708 3.960 -0.002 0.000 0.246 1067 G C -0.229 174.514 174.900 -0.262 0.000 0.984 1067 G CA -0.050 44.679 45.100 -0.617 0.000 0.633 1067 G HN 0.674 nan 8.290 nan 0.000 0.525 1068 N N 1.642 120.247 118.700 -0.158 0.000 2.483 1068 N HA 0.494 5.232 4.740 -0.002 0.000 0.264 1068 N C 1.288 176.779 175.510 -0.033 0.000 1.197 1068 N CA 0.411 53.433 53.050 -0.047 0.000 0.927 1068 N CB 0.372 38.864 38.487 0.008 0.000 1.065 1068 N HN 0.709 nan 8.380 nan 0.000 0.461 1069 M N 0.382 119.994 119.600 0.020 0.000 2.207 1069 M HA 0.245 4.724 4.480 -0.002 0.000 0.311 1069 M C 0.011 176.378 176.300 0.111 0.000 1.127 1069 M CA -0.203 55.114 55.300 0.029 0.000 1.181 1069 M CB 0.371 32.961 32.600 -0.017 0.000 1.409 1069 M HN 0.194 nan 8.290 nan 0.000 0.461 1070 N N 0.993 119.749 118.700 0.093 0.000 2.407 1070 N HA -0.019 4.720 4.740 -0.002 0.000 0.250 1070 N C 0.201 175.900 175.510 0.316 0.000 1.236 1070 N CA 0.523 53.651 53.050 0.130 0.000 0.879 1070 N CB 0.760 39.308 38.487 0.102 0.000 1.088 1070 N HN 0.886 nan 8.380 nan 0.000 0.450 1071 S N -1.597 114.255 115.700 0.254 0.000 3.380 1071 S HA -0.149 4.320 4.470 -0.002 0.000 0.300 1071 S C 0.848 175.767 174.600 0.531 0.000 1.255 1071 S CA 1.085 59.452 58.200 0.278 0.000 0.963 1071 S CB -1.295 61.940 63.200 0.060 0.000 1.106 1071 S HN 0.913 nan 8.310 nan 0.000 0.629 1072 G N -0.129 108.995 108.800 0.541 0.000 2.695 1072 G HA2 0.716 4.675 3.960 -0.002 0.000 0.213 1072 G HA3 0.716 4.675 3.960 -0.002 0.000 0.213 1072 G C 0.828 175.994 174.900 0.444 0.000 1.406 1072 G CA 0.319 45.718 45.100 0.497 0.000 1.049 1072 G HN 1.518 nan 8.290 nan 0.000 0.573 1073 G N -0.862 108.070 108.800 0.219 0.000 2.528 1073 G HA2 -0.198 3.760 3.960 -0.002 0.000 0.262 1073 G HA3 -0.198 3.760 3.960 -0.002 0.000 0.262 1073 G C 0.126 175.104 174.900 0.129 0.000 1.200 1073 G CA -0.028 45.174 45.100 0.169 0.000 0.951 1073 G HN 0.878 nan 8.290 nan 0.000 0.566 1074 I N 1.282 121.884 120.570 0.055 0.000 2.574 1074 I HA 0.188 4.356 4.170 -0.002 0.000 0.291 1074 I C 0.633 176.516 176.117 -0.389 0.000 1.131 1074 I CA -0.095 61.165 61.300 -0.066 0.000 1.352 1074 I CB -0.971 36.973 38.000 -0.094 0.000 1.431 1074 I HN 0.401 nan 8.210 nan 0.000 0.543 1075 W N 4.532 125.506 121.300 -0.543 0.000 1.896 1075 W HA 0.519 5.177 4.660 -0.003 0.000 0.557 1075 W C 0.650 176.936 176.519 -0.388 0.000 2.048 1075 W CA -0.800 56.139 57.345 -0.677 0.000 2.331 1075 W CB -0.197 29.033 29.460 -0.384 0.000 2.223 1075 W HN 0.486 nan 8.180 nan 0.000 0.777 1076 A N 4.017 126.841 122.820 0.007 0.000 2.566 1076 A HA 0.223 4.542 4.320 -0.002 0.000 0.245 1076 A C -2.025 175.648 177.584 0.149 0.000 1.056 1076 A CA -0.276 51.782 52.037 0.035 0.000 0.757 1076 A CB -1.226 17.837 19.000 0.104 0.000 0.979 1076 A HN 0.208 nan 8.150 nan 0.000 0.508 1077 P HA 0.544 nan 4.420 nan 0.000 0.288 1077 P C -1.204 176.238 177.300 0.236 0.000 1.297 1077 P CA -0.804 62.398 63.100 0.170 0.000 0.864 1077 P CB 1.771 33.525 31.700 0.089 0.000 1.237 1078 C N 2.163 121.607 119.300 0.240 0.000 2.432 1078 C HA 0.639 5.098 4.460 -0.002 0.000 0.334 1078 C C -0.979 174.168 174.990 0.261 0.000 1.155 1078 C CA -0.530 58.654 59.018 0.276 0.000 1.335 1078 C CB -0.647 27.275 27.740 0.303 0.000 1.964 1078 C HN 0.531 nan 8.230 nan 0.000 0.444 1079 L N 6.866 128.247 121.223 0.264 0.000 2.287 1079 L HA 0.827 5.165 4.340 -0.002 0.000 0.287 1079 L C 0.137 177.240 176.870 0.389 0.000 1.022 1079 L CA 0.735 55.767 54.840 0.320 0.000 0.814 1079 L CB 1.577 43.800 42.059 0.272 0.000 1.217 1079 L HN 0.892 nan 8.230 nan 0.000 0.420 1080 S N 3.750 119.738 115.700 0.481 0.000 2.704 1080 S HA 0.747 5.216 4.470 -0.002 0.000 0.296 1080 S C -1.224 173.702 174.600 0.543 0.000 1.138 1080 S CA -0.677 57.814 58.200 0.484 0.000 0.875 1080 S CB 1.625 65.122 63.200 0.495 0.000 1.151 1080 S HN 0.608 nan 8.310 nan 0.000 0.500 1081 Y N 0.004 120.420 120.300 0.192 0.000 2.470 1081 Y HA 0.661 5.210 4.550 -0.002 0.000 0.341 1081 Y C -1.398 174.446 175.900 -0.094 0.000 1.021 1081 Y CA -0.382 57.704 58.100 -0.023 0.000 1.025 1081 Y CB 1.892 40.209 38.460 -0.239 0.000 1.266 1081 Y HN 1.135 nan 8.280 nan 0.000 0.448 1082 H N 4.295 122.873 119.070 -0.822 0.000 3.137 1082 H HA 0.282 4.837 4.556 -0.002 0.000 0.336 1082 H C -1.278 173.688 175.328 -0.603 0.000 1.055 1082 H CA -0.705 54.945 56.048 -0.664 0.000 1.349 1082 H CB 1.003 30.260 29.762 -0.841 0.000 1.939 1082 H HN 0.740 nan 8.280 nan 0.000 0.487 1083 D N 4.265 124.179 120.400 -0.810 0.000 2.740 1083 D HA -0.174 4.464 4.640 -0.002 0.000 0.231 1083 D C 1.169 177.204 176.300 -0.440 0.000 1.194 1083 D CA 1.986 55.679 54.000 -0.511 0.000 0.673 1083 D CB -1.125 39.458 40.800 -0.362 0.000 0.995 1083 D HN 1.156 nan 8.370 nan 0.000 0.411 1084 G N -0.456 108.003 108.800 -0.567 0.000 2.168 1084 G HA2 -0.314 3.645 3.960 -0.002 0.000 0.263 1084 G HA3 -0.314 3.645 3.960 -0.002 0.000 0.263 1084 G C 0.416 175.052 174.900 -0.440 0.000 0.977 1084 G CA 0.984 45.879 45.100 -0.343 0.000 0.659 1084 G HN 0.939 nan 8.290 nan 0.000 0.533 1085 T N -0.589 113.522 114.554 -0.737 0.000 2.881 1085 T HA 0.654 5.003 4.350 -0.002 0.000 0.290 1085 T C -0.568 173.792 174.700 -0.568 0.000 1.000 1085 T CA -0.727 61.056 62.100 -0.529 0.000 0.978 1085 T CB 0.749 69.347 68.868 -0.450 0.000 0.997 1085 T HN 0.291 nan 8.240 nan 0.000 0.443 1086 F N 4.021 123.843 119.950 -0.214 0.000 2.410 1086 F HA 0.517 5.042 4.527 -0.003 0.000 0.348 1086 F C -0.310 175.472 175.800 -0.030 0.000 1.106 1086 F CA -0.328 57.707 58.000 0.058 0.000 1.163 1086 F CB 0.785 39.821 39.000 0.059 0.000 1.129 1086 F HN 0.518 nan 8.300 nan 0.000 0.516 1087 Y N 3.934 124.490 120.300 0.426 0.000 2.328 1087 Y HA 0.532 5.080 4.550 -0.003 0.000 0.336 1087 Y C -0.670 175.473 175.900 0.403 0.000 0.960 1087 Y CA -1.057 57.269 58.100 0.377 0.000 1.134 1087 Y CB 1.629 40.278 38.460 0.314 0.000 1.166 1087 Y HN 0.371 nan 8.280 nan 0.000 0.464 1088 L N 5.558 127.083 121.223 0.504 0.000 2.319 1088 L HA 0.619 4.958 4.340 -0.002 0.000 0.281 1088 L C -1.517 175.552 176.870 0.332 0.000 1.005 1088 L CA -0.579 54.466 54.840 0.342 0.000 0.828 1088 L CB 0.524 42.652 42.059 0.116 0.000 1.227 1088 L HN 0.413 nan 8.230 nan 0.000 0.415 1089 I N 6.354 127.089 120.570 0.274 0.000 2.359 1089 I HA 0.419 4.588 4.170 -0.002 0.000 0.294 1089 I C -0.343 175.936 176.117 0.269 0.000 0.987 1089 I CA -0.454 60.963 61.300 0.195 0.000 1.225 1089 I CB 0.883 38.952 38.000 0.115 0.000 1.366 1089 I HN 0.727 nan 8.210 nan 0.000 0.466 1090 Y N 2.410 122.774 120.300 0.107 0.000 2.644 1090 Y HA 0.805 5.354 4.550 -0.002 0.000 0.338 1090 Y C -0.820 175.166 175.900 0.143 0.000 1.119 1090 Y CA -1.042 57.118 58.100 0.101 0.000 1.060 1090 Y CB 1.476 39.970 38.460 0.058 0.000 1.294 1090 Y HN 0.389 nan 8.280 nan 0.000 0.472 1091 T N 1.606 116.327 114.554 0.279 0.000 2.881 1091 T HA 0.273 4.622 4.350 -0.002 0.000 0.290 1091 T C -1.920 172.900 174.700 0.201 0.000 1.000 1091 T CA -0.581 61.609 62.100 0.150 0.000 0.978 1091 T CB 1.405 70.307 68.868 0.056 0.000 0.997 1091 T HN 0.670 nan 8.240 nan 0.000 0.443 1092 D N 2.792 123.329 120.400 0.228 0.000 2.427 1092 D HA 0.351 4.990 4.640 -0.002 0.000 0.226 1092 D C -0.540 175.748 176.300 -0.020 0.000 1.076 1092 D CA -0.487 53.631 54.000 0.197 0.000 0.849 1092 D CB 0.849 41.875 40.800 0.376 0.000 1.052 1092 D HN 0.180 nan 8.370 nan 0.000 0.515 1093 V N 6.039 125.848 119.914 -0.176 0.000 2.408 1093 V HA 0.167 4.286 4.120 -0.002 0.000 0.267 1093 V C 1.340 177.366 176.094 -0.113 0.000 1.047 1093 V CA -0.330 61.761 62.300 -0.348 0.000 0.937 1093 V CB 1.361 32.689 31.823 -0.825 0.000 0.999 1093 V HN 0.436 nan 8.190 nan 0.000 0.472 1094 K N 2.708 123.035 120.400 -0.122 0.000 2.308 1094 K HA 0.174 4.493 4.320 -0.002 0.000 0.197 1094 K C 0.534 177.133 176.600 -0.002 0.000 1.049 1094 K CA 0.388 56.659 56.287 -0.028 0.000 0.991 1094 K CB 0.321 32.809 32.500 -0.019 0.000 0.836 1094 K HN 0.673 nan 8.250 nan 0.000 0.500 1095 Q N -0.315 119.472 119.800 -0.020 0.000 2.281 1095 Q HA 0.164 4.502 4.340 -0.002 0.000 0.263 1095 Q C -0.981 175.061 176.000 0.070 0.000 0.989 1095 Q CA -0.459 55.349 55.803 0.008 0.000 0.852 1095 Q CB 0.978 29.697 28.738 -0.032 0.000 1.337 1095 Q HN 0.199 nan 8.270 nan 0.000 0.418 1096 W N 3.199 124.451 121.300 -0.081 0.000 2.199 1096 W HA 0.352 5.010 4.660 -0.002 0.000 0.264 1096 W C -0.866 175.749 176.519 0.161 0.000 0.923 1096 W CA -0.139 57.190 57.345 -0.028 0.000 1.221 1096 W CB 0.189 29.718 29.460 0.115 0.000 0.974 1096 W HN 0.611 nan 8.180 nan 0.000 0.562 1097 H N 1.023 119.812 119.070 -0.469 0.000 2.551 1097 H HA 0.457 5.012 4.556 -0.002 0.000 0.358 1097 H C 1.189 176.456 175.328 -0.102 0.000 1.151 1097 H CA 0.788 56.582 56.048 -0.423 0.000 1.374 1097 H CB 1.196 30.647 29.762 -0.518 0.000 1.473 1097 H HN 0.127 nan 8.280 nan 0.000 0.574 1098 G N -0.089 108.770 108.800 0.100 0.000 2.698 1098 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.225 1098 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.225 1098 G C 0.735 175.775 174.900 0.234 0.000 1.345 1098 G CA -0.125 45.066 45.100 0.151 0.000 0.871 1098 G HN 0.722 nan 8.290 nan 0.000 0.540 1099 A N -0.892 122.076 122.820 0.248 0.000 2.015 1099 A HA 0.507 4.825 4.320 -0.002 0.000 0.219 1099 A C 0.960 178.664 177.584 0.200 0.000 1.163 1099 A CA 1.718 53.870 52.037 0.192 0.000 0.646 1099 A CB -0.258 18.750 19.000 0.012 0.000 0.806 1099 A HN 0.911 nan 8.150 nan 0.000 0.448 1100 F N -0.791 119.310 119.950 0.251 0.000 2.457 1100 F HA 0.565 5.091 4.527 -0.003 0.000 0.330 1100 F C 0.444 176.125 175.800 -0.199 0.000 1.069 1100 F CA -0.724 57.358 58.000 0.135 0.000 1.009 1100 F CB 1.166 40.169 39.000 0.006 0.000 1.276 1100 F HN -0.272 nan 8.300 nan 0.000 0.492 1101 K N 1.605 121.890 120.400 -0.191 0.000 2.604 1101 K HA 0.228 4.546 4.320 -0.002 0.000 0.247 1101 K C -1.690 174.802 176.600 -0.181 0.000 0.956 1101 K CA -0.478 55.574 56.287 -0.390 0.000 0.896 1101 K CB 1.476 33.468 32.500 -0.846 0.000 1.131 1101 K HN 0.536 nan 8.250 nan 0.000 0.440 1102 D N 2.383 122.681 120.400 -0.170 0.000 2.443 1102 D HA 0.376 5.014 4.640 -0.002 0.000 0.221 1102 D C -0.594 175.466 176.300 -0.400 0.000 1.097 1102 D CA -0.087 53.782 54.000 -0.219 0.000 0.865 1102 D CB 1.425 42.136 40.800 -0.149 0.000 1.034 1102 D HN 0.451 nan 8.370 nan 0.000 0.511 1103 A N 3.347 125.885 122.820 -0.470 0.000 2.398 1103 A HA 0.499 4.818 4.320 -0.002 0.000 0.301 1103 A C -1.042 176.265 177.584 -0.462 0.000 1.041 1103 A CA -0.807 50.934 52.037 -0.493 0.000 0.711 1103 A CB 1.447 20.231 19.000 -0.359 0.000 1.240 1103 A HN 0.441 nan 8.150 nan 0.000 0.420 1104 H N 2.203 121.240 119.070 -0.056 0.000 2.481 1104 H HA 0.398 4.952 4.556 -0.003 0.000 0.333 1104 H C -0.786 174.329 175.328 -0.354 0.000 1.066 1104 H CA -0.763 55.213 56.048 -0.121 0.000 1.209 1104 H CB 1.444 31.178 29.762 -0.046 0.000 1.445 1104 H HN 0.627 nan 8.280 nan 0.000 0.488 1105 N N 2.914 121.381 118.700 -0.388 0.000 2.430 1105 N HA 0.236 4.975 4.740 -0.002 0.000 0.292 1105 N C -0.684 174.356 175.510 -0.782 0.000 1.051 1105 N CA -0.220 52.553 53.050 -0.462 0.000 0.917 1105 N CB 1.460 39.771 38.487 -0.293 0.000 1.164 1105 N HN 0.466 nan 8.380 nan 0.000 0.484 1106 Y N 0.126 120.149 120.300 -0.460 0.000 2.605 1106 Y HA 0.593 5.141 4.550 -0.002 0.000 0.343 1106 Y C -0.371 175.262 175.900 -0.445 0.000 1.036 1106 Y CA -1.212 56.580 58.100 -0.514 0.000 1.065 1106 Y CB 1.602 39.594 38.460 -0.779 0.000 1.288 1106 Y HN 0.282 nan 8.280 nan 0.000 0.481 1107 L N 2.751 123.971 121.223 -0.006 0.000 2.410 1107 L HA 0.891 5.230 4.340 -0.002 0.000 0.270 1107 L C -1.362 175.652 176.870 0.239 0.000 0.983 1107 L CA -0.819 54.080 54.840 0.099 0.000 0.822 1107 L CB 1.715 43.773 42.059 -0.003 0.000 1.285 1107 L HN 0.481 nan 8.230 nan 0.000 0.409 1108 V N 0.946 121.068 119.914 0.347 0.000 2.962 1108 V HA 0.995 5.113 4.120 -0.002 0.000 0.313 1108 V C -0.277 176.054 176.094 0.396 0.000 1.099 1108 V CA 0.113 62.635 62.300 0.370 0.000 0.971 1108 V CB 1.636 33.715 31.823 0.426 0.000 1.028 1108 V HN 0.990 nan 8.190 nan 0.000 0.430 1109 T N -0.563 114.161 114.554 0.283 0.000 2.901 1109 T HA 0.995 5.343 4.350 -0.002 0.000 0.293 1109 T C -0.344 174.244 174.700 -0.187 0.000 1.084 1109 T CA -0.315 61.820 62.100 0.057 0.000 1.008 1109 T CB 1.851 70.614 68.868 -0.174 0.000 1.170 1109 T HN 2.350 nan 8.240 nan 0.000 0.509 1110 A N 0.492 123.017 122.820 -0.492 0.000 2.608 1110 A HA 0.631 4.949 4.320 -0.002 0.000 0.292 1110 A C 0.018 177.389 177.584 -0.355 0.000 1.066 1110 A CA -0.723 50.876 52.037 -0.731 0.000 0.676 1110 A CB 1.455 19.324 19.000 -1.885 0.000 1.277 1110 A HN 0.608 nan 8.150 nan 0.000 0.413 1111 Q N 0.438 120.083 119.800 -0.259 0.000 2.396 1111 Q HA 0.195 4.534 4.340 -0.002 0.000 0.209 1111 Q C -0.365 175.675 176.000 0.065 0.000 0.906 1111 Q CA 0.730 56.489 55.803 -0.074 0.000 0.927 1111 Q CB 0.375 29.055 28.738 -0.096 0.000 1.069 1111 Q HN 0.635 nan 8.270 nan 0.000 0.523 1112 N N 0.390 119.018 118.700 -0.119 0.000 2.249 1112 N HA 0.150 4.889 4.740 -0.002 0.000 0.296 1112 N C 0.592 175.800 175.510 -0.503 0.000 1.051 1112 N CA -0.334 52.627 53.050 -0.148 0.000 0.815 1112 N CB 2.207 40.599 38.487 -0.158 0.000 1.487 1112 N HN -0.090 nan 8.380 nan 0.000 0.475 1113 I N 2.048 122.169 120.570 -0.749 0.000 2.315 1113 I HA -0.263 3.906 4.170 -0.002 0.000 0.251 1113 I C 2.065 177.996 176.117 -0.309 0.000 1.125 1113 I CA 1.890 62.626 61.300 -0.940 0.000 1.392 1113 I CB 0.127 37.390 38.000 -1.228 0.000 1.065 1113 I HN 0.618 nan 8.210 nan 0.000 0.424 1114 E N -0.366 119.679 120.200 -0.257 0.000 2.413 1114 E HA 0.161 4.509 4.350 -0.002 0.000 0.203 1114 E C 1.394 177.943 176.600 -0.084 0.000 0.957 1114 E CA 0.494 56.842 56.400 -0.085 0.000 0.950 1114 E CB -1.099 28.527 29.700 -0.123 0.000 0.957 1114 E HN 0.313 nan 8.360 nan 0.000 0.497 1115 G N 3.890 112.553 108.800 -0.228 0.000 2.825 1115 G HA2 0.061 4.019 3.960 -0.002 0.000 0.241 1115 G HA3 0.061 4.019 3.960 -0.002 0.000 0.241 1115 G C -2.070 172.652 174.900 -0.297 0.000 1.239 1115 G CA -0.418 44.539 45.100 -0.239 0.000 0.859 1115 G HN 0.138 nan 8.290 nan 0.000 0.598 1116 P HA -0.007 nan 4.420 nan 0.000 0.264 1116 P C -0.913 176.241 177.300 -0.243 0.000 1.183 1116 P CA 0.239 63.274 63.100 -0.109 0.000 0.763 1116 P CB 0.506 32.172 31.700 -0.058 0.000 0.807 1117 W N 1.732 123.005 121.300 -0.044 0.000 2.496 1117 W HA 0.304 4.962 4.660 -0.003 0.000 0.327 1117 W C 1.002 177.516 176.519 -0.009 0.000 1.086 1117 W CA -0.065 57.258 57.345 -0.036 0.000 1.222 1117 W CB 1.078 30.504 29.460 -0.057 0.000 1.304 1117 W HN 0.332 nan 8.180 nan 0.000 0.547 1118 S N 0.980 116.802 115.700 0.204 0.000 2.608 1118 S HA 0.194 4.663 4.470 -0.002 0.000 0.261 1118 S C -0.114 174.590 174.600 0.173 0.000 1.314 1118 S CA -0.653 57.633 58.200 0.144 0.000 0.992 1118 S CB 0.753 64.019 63.200 0.111 0.000 0.935 1118 S HN 0.409 nan 8.310 nan 0.000 0.564 1119 D N 2.195 122.673 120.400 0.129 0.000 2.344 1119 D HA 0.416 5.054 4.640 -0.002 0.000 0.244 1119 D C -1.957 174.436 176.300 0.154 0.000 1.134 1119 D CA -1.176 52.898 54.000 0.123 0.000 0.930 1119 D CB 0.465 41.319 40.800 0.089 0.000 1.175 1119 D HN 0.436 nan 8.370 nan 0.000 0.437 1120 P HA 0.200 nan 4.420 nan 0.000 0.272 1120 P C -0.500 176.928 177.300 0.213 0.000 1.223 1120 P CA -0.106 63.112 63.100 0.197 0.000 0.784 1120 P CB 0.911 32.681 31.700 0.117 0.000 0.923 1121 I N 2.231 122.945 120.570 0.239 0.000 2.389 1121 I HA 0.231 4.400 4.170 -0.002 0.000 0.288 1121 I C 0.165 176.438 176.117 0.261 0.000 0.999 1121 I CA -1.154 60.286 61.300 0.233 0.000 1.129 1121 I CB 1.263 39.387 38.000 0.206 0.000 1.288 1121 I HN 0.374 nan 8.210 nan 0.000 0.444 1122 Y N 6.614 127.014 120.300 0.167 0.000 2.359 1122 Y HA 0.254 4.802 4.550 -0.002 0.000 0.330 1122 Y C 0.079 175.956 175.900 -0.038 0.000 1.143 1122 Y CA 0.157 58.274 58.100 0.029 0.000 1.318 1122 Y CB 0.865 39.335 38.460 0.017 0.000 1.234 1122 Y HN 0.519 nan 8.280 nan 0.000 0.522 1123 L N 3.593 124.204 121.223 -1.021 0.000 2.738 1123 L HA 0.254 4.593 4.340 -0.002 0.000 0.178 1123 L C -0.195 176.125 176.870 -0.918 0.000 1.281 1123 L CA -0.037 54.374 54.840 -0.715 0.000 0.864 1123 L CB -0.141 41.647 42.059 -0.452 0.000 1.224 1123 L HN 0.759 nan 8.230 nan 0.000 0.520 1124 N N -2.907 115.253 118.700 -0.901 0.000 3.364 1124 N HA 0.197 4.936 4.740 -0.002 0.000 0.294 1124 N C -0.679 174.717 175.510 -0.190 0.000 1.562 1124 N CA -0.458 52.328 53.050 -0.440 0.000 0.862 1124 N CB 1.547 39.926 38.487 -0.181 0.000 1.691 1124 N HN -0.148 nan 8.380 nan 0.000 0.572 1125 S N -1.285 114.438 115.700 0.038 0.000 2.911 1125 S HA 0.094 4.562 4.470 -0.002 0.000 0.261 1125 S C 0.747 175.377 174.600 0.049 0.000 1.021 1125 S CA 0.129 58.386 58.200 0.096 0.000 1.222 1125 S CB -0.335 63.038 63.200 0.289 0.000 1.171 1125 S HN 0.668 nan 8.310 nan 0.000 0.669 1126 S N 1.368 117.088 115.700 0.034 0.000 2.465 1126 S HA 0.295 4.763 4.470 -0.002 0.000 0.241 1126 S C 1.058 175.670 174.600 0.021 0.000 1.000 1126 S CA 0.726 58.954 58.200 0.046 0.000 0.964 1126 S CB -0.023 63.195 63.200 0.030 0.000 0.763 1126 S HN 0.700 nan 8.310 nan 0.000 0.512 1127 G N 0.136 108.911 108.800 -0.041 0.000 2.368 1127 G HA2 0.456 4.414 3.960 -0.002 0.000 0.293 1127 G HA3 0.456 4.414 3.960 -0.002 0.000 0.293 1127 G C -0.702 174.113 174.900 -0.143 0.000 1.467 1127 G CA -0.771 44.240 45.100 -0.149 0.000 0.804 1127 G HN 0.285 nan 8.290 nan 0.000 0.535 1128 F N -1.099 118.845 119.950 -0.011 0.000 2.294 1128 F HA 0.743 5.269 4.527 -0.003 0.000 0.319 1128 F C 0.514 176.376 175.800 0.102 0.000 1.107 1128 F CA -0.353 57.650 58.000 0.005 0.000 1.094 1128 F CB 0.200 39.199 39.000 -0.001 0.000 1.508 1128 F HN 0.407 nan 8.300 nan 0.000 0.506 1129 D N -0.372 120.308 120.400 0.468 0.000 2.705 1129 D HA -0.113 4.526 4.640 -0.002 0.000 0.240 1129 D C -2.543 173.846 176.300 0.149 0.000 1.137 1129 D CA 0.428 54.636 54.000 0.346 0.000 0.677 1129 D CB -1.611 39.428 40.800 0.400 0.000 1.049 1129 D HN 0.402 nan 8.370 nan 0.000 0.427 1130 P HA 0.283 nan 4.420 nan 0.000 0.278 1130 P C -0.426 176.929 177.300 0.093 0.000 1.238 1130 P CA -0.182 62.950 63.100 0.054 0.000 0.794 1130 P CB 1.809 33.513 31.700 0.007 0.000 0.955 1131 S N 2.067 117.811 115.700 0.073 0.000 2.572 1131 S HA 0.455 4.923 4.470 -0.002 0.000 0.274 1131 S C -1.342 173.316 174.600 0.096 0.000 1.150 1131 S CA -0.659 57.626 58.200 0.141 0.000 0.944 1131 S CB 0.498 63.814 63.200 0.193 0.000 1.071 1131 S HN 0.331 nan 8.310 nan 0.000 0.479 1132 L N 5.499 126.767 121.223 0.075 0.000 2.264 1132 L HA 0.708 5.046 4.340 -0.002 0.000 0.289 1132 L C -1.061 175.777 176.870 -0.054 0.000 1.044 1132 L CA -0.322 54.486 54.840 -0.053 0.000 0.807 1132 L CB 0.747 42.690 42.059 -0.193 0.000 1.192 1132 L HN 0.667 nan 8.230 nan 0.000 0.425 1133 F N 4.275 124.114 119.950 -0.184 0.000 2.436 1133 F HA 0.480 5.006 4.527 -0.002 0.000 0.340 1133 F C -0.708 174.949 175.800 -0.238 0.000 1.113 1133 F CA -0.436 57.496 58.000 -0.114 0.000 1.022 1133 F CB 0.810 39.837 39.000 0.044 0.000 1.128 1133 F HN 0.586 nan 8.300 nan 0.000 0.466 1134 H N 4.128 122.705 119.070 -0.821 0.000 2.661 1134 H HA 0.245 4.799 4.556 -0.002 0.000 0.290 1134 H C -0.483 174.204 175.328 -1.068 0.000 1.082 1134 H CA -0.680 54.856 56.048 -0.853 0.000 1.234 1134 H CB 0.465 29.649 29.762 -0.963 0.000 1.387 1134 H HN 0.505 nan 8.280 nan 0.000 0.476 1135 D N 1.273 121.280 120.400 -0.655 0.000 2.344 1135 D HA -0.056 4.583 4.640 -0.002 0.000 0.244 1135 D C 0.671 176.950 176.300 -0.036 0.000 1.134 1135 D CA -0.349 53.503 54.000 -0.247 0.000 0.930 1135 D CB 0.966 41.961 40.800 0.325 0.000 1.175 1135 D HN 0.670 nan 8.370 nan 0.000 0.437 1136 D N -0.506 119.946 120.400 0.088 0.000 2.378 1136 D HA -0.128 4.510 4.640 -0.002 0.000 0.227 1136 D C 0.483 176.847 176.300 0.107 0.000 1.012 1136 D CA 0.263 54.324 54.000 0.102 0.000 0.905 1136 D CB -0.131 40.730 40.800 0.102 0.000 0.895 1136 D HN 0.319 nan 8.370 nan 0.000 0.532 1137 D N -1.455 119.021 120.400 0.126 0.000 2.368 1137 D HA 0.201 4.839 4.640 -0.002 0.000 0.218 1137 D C 1.688 178.045 176.300 0.094 0.000 1.112 1137 D CA 0.077 54.147 54.000 0.116 0.000 0.834 1137 D CB -0.087 40.803 40.800 0.150 0.000 0.953 1137 D HN 0.226 nan 8.370 nan 0.000 0.505 1138 G N 0.398 109.248 108.800 0.084 0.000 2.225 1138 G HA2 -0.310 3.649 3.960 -0.002 0.000 0.254 1138 G HA3 -0.310 3.649 3.960 -0.002 0.000 0.254 1138 G C 0.408 175.315 174.900 0.012 0.000 0.988 1138 G CA -0.075 45.063 45.100 0.064 0.000 0.625 1138 G HN 0.431 nan 8.290 nan 0.000 0.527 1139 R N 0.521 121.038 120.500 0.028 0.000 2.531 1139 R HA 0.581 4.919 4.340 -0.002 0.000 0.273 1139 R C -0.040 176.187 176.300 -0.121 0.000 1.070 1139 R CA -0.056 56.008 56.100 -0.060 0.000 1.112 1139 R CB 0.691 31.001 30.300 0.017 0.000 1.049 1139 R HN 0.247 nan 8.270 nan 0.000 0.508 1140 K N 1.602 121.814 120.400 -0.314 0.000 2.324 1140 K HA 0.372 4.691 4.320 -0.002 0.000 0.253 1140 K C -1.283 175.087 176.600 -0.385 0.000 0.932 1140 K CA -0.573 55.555 56.287 -0.266 0.000 0.799 1140 K CB 1.717 34.107 32.500 -0.184 0.000 1.154 1140 K HN 0.379 nan 8.250 nan 0.000 0.425 1141 W N 2.584 123.890 121.300 0.009 0.000 2.915 1141 W HA 0.481 5.140 4.660 -0.003 0.000 0.337 1141 W C -1.008 175.529 176.519 0.031 0.000 1.102 1141 W CA -0.754 56.635 57.345 0.074 0.000 1.224 1141 W CB 1.099 30.646 29.460 0.146 0.000 1.416 1141 W HN 0.290 nan 8.180 nan 0.000 0.503 1142 L N 4.472 125.837 121.223 0.236 0.000 2.313 1142 L HA 0.813 5.152 4.340 -0.002 0.000 0.283 1142 L C -0.535 176.397 176.870 0.104 0.000 1.013 1142 L CA -0.876 54.027 54.840 0.104 0.000 0.816 1142 L CB 1.089 43.157 42.059 0.014 0.000 1.236 1142 L HN 0.318 nan 8.230 nan 0.000 0.419 1143 V N 3.045 122.994 119.914 0.058 0.000 2.715 1143 V HA 0.797 4.916 4.120 -0.002 0.000 0.310 1143 V C -0.857 175.230 176.094 -0.011 0.000 1.054 1143 V CA -0.502 61.805 62.300 0.012 0.000 0.928 1143 V CB 1.740 33.542 31.823 -0.034 0.000 1.007 1143 V HN 0.994 nan 8.190 nan 0.000 0.437 1144 N N 2.464 121.147 118.700 -0.028 0.000 3.046 1144 N HA 0.434 5.173 4.740 -0.002 0.000 0.243 1144 N C -0.947 174.523 175.510 -0.066 0.000 1.452 1144 N CA -0.851 52.174 53.050 -0.042 0.000 0.882 1144 N CB 2.173 40.634 38.487 -0.043 0.000 1.425 1144 N HN 0.894 nan 8.380 nan 0.000 0.517 1145 M N 0.070 119.600 119.600 -0.115 0.000 2.247 1145 M HA 0.547 5.026 4.480 -0.002 0.000 0.326 1145 M C -0.149 176.049 176.300 -0.171 0.000 1.134 1145 M CA -0.174 55.042 55.300 -0.139 0.000 1.136 1145 M CB 0.147 32.631 32.600 -0.194 0.000 1.454 1145 M HN 0.494 nan 8.290 nan 0.000 0.467 1146 I N -0.315 120.186 120.570 -0.115 0.000 2.404 1146 I HA 0.508 4.677 4.170 -0.002 0.000 0.293 1146 I C -1.390 174.683 176.117 -0.074 0.000 0.992 1146 I CA -0.653 60.604 61.300 -0.073 0.000 1.149 1146 I CB 1.450 39.424 38.000 -0.044 0.000 1.315 1146 I HN 0.859 nan 8.210 nan 0.000 0.446 1147 W N 6.860 128.031 121.300 -0.215 0.000 2.335 1147 W HA 0.346 5.005 4.660 -0.002 0.000 0.307 1147 W C -1.245 175.202 176.519 -0.119 0.000 1.117 1147 W CA -0.024 57.194 57.345 -0.212 0.000 1.228 1147 W CB 1.564 30.930 29.460 -0.156 0.000 1.240 1147 W HN 0.634 nan 8.180 nan 0.000 0.468 1148 D N 5.998 125.988 120.400 -0.683 0.000 2.392 1148 D HA 0.039 4.677 4.640 -0.002 0.000 0.228 1148 D C 0.488 176.335 176.300 -0.755 0.000 1.074 1148 D CA -0.460 53.202 54.000 -0.564 0.000 0.838 1148 D CB 0.614 41.139 40.800 -0.460 0.000 1.067 1148 D HN 0.441 nan 8.370 nan 0.000 0.511 1149 Y N 2.249 122.321 120.300 -0.381 0.000 2.546 1149 Y HA 0.311 4.859 4.550 -0.003 0.000 0.287 1149 Y C 0.682 176.385 175.900 -0.329 0.000 1.158 1149 Y CA -0.502 57.364 58.100 -0.389 0.000 1.307 1149 Y CB -0.268 37.776 38.460 -0.693 0.000 1.036 1149 Y HN 0.012 nan 8.280 nan 0.000 0.532 1150 R N 2.144 122.190 120.500 -0.757 0.000 2.623 1150 R HA 0.004 4.343 4.340 -0.002 0.000 0.271 1150 R C 1.483 177.663 176.300 -0.201 0.000 1.043 1150 R CA 0.157 55.998 56.100 -0.431 0.000 1.083 1150 R CB 0.672 30.701 30.300 -0.451 0.000 0.974 1150 R HN 0.304 nan 8.270 nan 0.000 0.436 1151 K N 2.057 122.405 120.400 -0.087 0.000 2.023 1151 K HA -0.234 4.084 4.320 -0.002 0.000 0.227 1151 K C 1.322 177.893 176.600 -0.048 0.000 1.054 1151 K CA 2.228 58.492 56.287 -0.038 0.000 0.977 1151 K CB -0.391 32.107 32.500 -0.004 0.000 0.733 1151 K HN 0.816 nan 8.250 nan 0.000 0.451 1152 G N 0.730 109.497 108.800 -0.054 0.000 3.440 1152 G HA2 0.067 4.026 3.960 -0.002 0.000 0.263 1152 G HA3 0.067 4.026 3.960 -0.002 0.000 0.263 1152 G C -0.667 174.201 174.900 -0.053 0.000 1.236 1152 G CA -0.407 44.668 45.100 -0.041 0.000 0.927 1152 G HN 0.239 nan 8.290 nan 0.000 0.530 1153 N N -0.171 118.475 118.700 -0.089 0.000 2.292 1153 N HA 0.242 4.980 4.740 -0.002 0.000 0.303 1153 N C -1.205 174.258 175.510 -0.079 0.000 1.140 1153 N CA -0.778 52.217 53.050 -0.091 0.000 0.788 1153 N CB 1.327 39.721 38.487 -0.155 0.000 1.361 1153 N HN 0.168 nan 8.380 nan 0.000 0.489 1154 H N 2.559 121.551 119.070 -0.130 0.000 2.848 1154 H HA 0.150 4.704 4.556 -0.003 0.000 0.317 1154 H C -1.312 173.879 175.328 -0.227 0.000 1.046 1154 H CA -1.069 54.917 56.048 -0.104 0.000 1.470 1154 H CB 0.922 30.660 29.762 -0.041 0.000 1.483 1154 H HN 0.362 nan 8.280 nan 0.000 0.548 1155 P HA -0.177 nan 4.420 nan 0.000 0.218 1155 P C -0.143 176.478 177.300 -1.131 0.000 1.148 1155 P CA 1.071 63.430 63.100 -1.234 0.000 0.822 1155 P CB 0.121 30.731 31.700 -1.817 0.000 0.784 1156 F N 0.586 120.036 119.950 -0.833 0.000 2.619 1156 F HA 0.330 4.855 4.527 -0.003 0.000 0.350 1156 F C 1.689 177.392 175.800 -0.162 0.000 1.259 1156 F CA -0.599 57.203 58.000 -0.330 0.000 1.204 1156 F CB -0.128 38.804 39.000 -0.113 0.000 1.556 1156 F HN -0.058 nan 8.300 nan 0.000 0.650 1157 A N 2.525 125.278 122.820 -0.112 0.000 2.261 1157 A HA 0.511 4.830 4.320 -0.002 0.000 0.208 1157 A C 1.346 178.907 177.584 -0.037 0.000 1.223 1157 A CA 0.717 52.710 52.037 -0.073 0.000 0.833 1157 A CB -0.957 17.959 19.000 -0.139 0.000 0.830 1157 A HN 0.933 nan 8.150 nan 0.000 0.483 1158 G N -1.124 107.673 108.800 -0.005 0.000 2.362 1158 G HA2 0.100 4.058 3.960 -0.002 0.000 0.517 1158 G HA3 0.100 4.058 3.960 -0.002 0.000 0.517 1158 G C -0.936 173.955 174.900 -0.015 0.000 1.256 1158 G CA -0.484 44.599 45.100 -0.029 0.000 1.027 1158 G HN 0.319 nan 8.290 nan 0.000 0.491 1159 I N 0.379 120.944 120.570 -0.008 0.000 2.354 1159 I HA 0.623 4.792 4.170 -0.002 0.000 0.292 1159 I C 0.112 176.219 176.117 -0.018 0.000 0.989 1159 I CA -0.902 60.393 61.300 -0.009 0.000 1.188 1159 I CB 1.006 39.010 38.000 0.006 0.000 1.342 1159 I HN 0.529 nan 8.210 nan 0.000 0.457 1160 I N 6.550 127.106 120.570 -0.023 0.000 2.607 1160 I HA 0.515 4.684 4.170 -0.002 0.000 0.305 1160 I C -0.736 175.383 176.117 0.002 0.000 0.995 1160 I CA -0.705 60.590 61.300 -0.008 0.000 1.148 1160 I CB 1.967 39.964 38.000 -0.005 0.000 1.323 1160 I HN 0.411 nan 8.210 nan 0.000 0.461 1161 L N 5.826 127.066 121.223 0.029 0.000 2.410 1161 L HA 0.656 4.995 4.340 -0.002 0.000 0.270 1161 L C -1.214 175.754 176.870 0.164 0.000 0.983 1161 L CA -0.013 54.875 54.840 0.079 0.000 0.822 1161 L CB 1.534 43.603 42.059 0.016 0.000 1.285 1161 L HN 0.701 nan 8.230 nan 0.000 0.409 1162 Q N 2.801 122.748 119.800 0.244 0.000 2.320 1162 Q HA 0.321 4.660 4.340 -0.002 0.000 0.272 1162 Q C -1.522 174.610 176.000 0.221 0.000 1.023 1162 Q CA -0.643 55.297 55.803 0.229 0.000 0.855 1162 Q CB 1.903 30.703 28.738 0.103 0.000 1.367 1162 Q HN 0.758 nan 8.270 nan 0.000 0.406 1163 E N 2.310 122.508 120.200 -0.002 0.000 2.373 1163 E HA 0.071 4.420 4.350 -0.002 0.000 0.267 1163 E C -1.642 174.816 176.600 -0.236 0.000 1.032 1163 E CA -0.231 55.861 56.400 -0.513 0.000 0.889 1163 E CB 0.647 29.738 29.700 -1.014 0.000 0.984 1163 E HN 0.511 nan 8.360 nan 0.000 0.425 1164 Y N 2.988 123.062 120.300 -0.376 0.000 2.352 1164 Y HA 0.292 4.841 4.550 -0.003 0.000 0.339 1164 Y C -0.772 174.990 175.900 -0.230 0.000 0.992 1164 Y CA -0.855 57.107 58.100 -0.231 0.000 1.100 1164 Y CB 1.715 40.070 38.460 -0.175 0.000 1.192 1164 Y HN 0.397 nan 8.280 nan 0.000 0.458 1165 S N 5.198 120.351 115.700 -0.912 0.000 2.423 1165 S HA 0.168 4.637 4.470 -0.002 0.000 0.317 1165 S C 0.851 174.882 174.600 -0.947 0.000 1.065 1165 S CA -0.473 57.302 58.200 -0.708 0.000 1.111 1165 S CB 0.519 63.476 63.200 -0.406 0.000 0.968 1165 S HN 0.992 nan 8.310 nan 0.000 0.474 1166 E N 4.447 124.275 120.200 -0.621 0.000 2.204 1166 E HA -0.074 4.275 4.350 -0.002 0.000 0.194 1166 E C 1.901 178.414 176.600 -0.146 0.000 0.989 1166 E CA 1.144 57.385 56.400 -0.265 0.000 0.824 1166 E CB -0.157 29.574 29.700 0.052 0.000 0.756 1166 E HN 0.860 nan 8.360 nan 0.000 0.477 1167 A N 1.225 123.949 122.820 -0.160 0.000 1.858 1167 A HA -0.197 4.122 4.320 -0.002 0.000 0.216 1167 A C 1.844 179.373 177.584 -0.092 0.000 1.190 1167 A CA 1.648 53.628 52.037 -0.095 0.000 0.617 1167 A CB -0.381 18.564 19.000 -0.093 0.000 0.827 1167 A HN 0.300 nan 8.150 nan 0.000 0.443 1168 E N -0.477 119.638 120.200 -0.143 0.000 2.479 1168 E HA 0.039 4.388 4.350 -0.002 0.000 0.193 1168 E C -0.533 176.015 176.600 -0.086 0.000 1.049 1168 E CA 0.046 56.384 56.400 -0.103 0.000 0.870 1168 E CB 0.030 29.665 29.700 -0.109 0.000 0.944 1168 E HN 0.619 nan 8.360 nan 0.000 0.492 1169 Q N 0.688 120.407 119.800 -0.135 0.000 2.439 1169 Q HA -0.241 4.097 4.340 -0.002 0.000 0.325 1169 Q C -0.672 175.378 176.000 0.083 0.000 1.372 1169 Q CA 1.009 56.818 55.803 0.009 0.000 0.909 1169 Q CB -1.720 27.083 28.738 0.109 0.000 1.167 1169 Q HN 0.353 nan 8.270 nan 0.000 0.418 1170 K N -1.819 118.549 120.400 -0.053 0.000 2.642 1170 K HA 0.593 4.911 4.320 -0.002 0.000 0.290 1170 K C -1.125 175.475 176.600 0.000 0.000 1.006 1170 K CA -1.171 55.157 56.287 0.069 0.000 0.869 1170 K CB 0.917 33.434 32.500 0.028 0.000 1.499 1170 K HN 0.018 nan 8.250 nan 0.000 0.403 1171 L N 1.564 122.834 121.223 0.080 0.000 2.417 1171 L HA 0.482 4.820 4.340 -0.002 0.000 0.268 1171 L C -0.412 176.440 176.870 -0.031 0.000 1.158 1171 L CA -0.671 54.197 54.840 0.045 0.000 0.819 1171 L CB 1.211 43.293 42.059 0.038 0.000 1.112 1171 L HN 0.396 nan 8.230 nan 0.000 0.458 1172 V N 0.782 120.653 119.914 -0.071 0.000 3.114 1172 V HA 0.874 4.992 4.120 -0.002 0.000 0.308 1172 V C 0.281 176.340 176.094 -0.060 0.000 1.168 1172 V CA -0.080 62.175 62.300 -0.074 0.000 1.015 1172 V CB 1.649 33.400 31.823 -0.119 0.000 1.050 1172 V HN 1.044 nan 8.190 nan 0.000 0.433 1173 G N 2.772 111.553 108.800 -0.032 0.000 2.782 1173 G HA2 -0.066 3.892 3.960 -0.002 0.000 0.228 1173 G HA3 -0.066 3.892 3.960 -0.002 0.000 0.228 1173 G C -2.625 172.293 174.900 0.029 0.000 1.372 1173 G CA -0.301 44.797 45.100 -0.003 0.000 0.862 1173 G HN 0.799 nan 8.290 nan 0.000 0.547 1174 P HA 0.493 nan 4.420 nan 0.000 0.272 1174 P C -0.273 177.076 177.300 0.082 0.000 1.230 1174 P CA -0.234 62.902 63.100 0.061 0.000 0.788 1174 P CB 1.227 32.964 31.700 0.062 0.000 0.949 1175 V N 2.777 122.730 119.914 0.065 0.000 2.513 1175 V HA 0.384 4.503 4.120 -0.002 0.000 0.299 1175 V C 0.381 176.508 176.094 0.055 0.000 1.035 1175 V CA -0.402 61.938 62.300 0.067 0.000 0.889 1175 V CB 1.427 33.279 31.823 0.048 0.000 0.988 1175 V HN 0.534 nan 8.190 nan 0.000 0.440 1176 K N 2.845 123.278 120.400 0.054 0.000 2.422 1176 K HA 0.426 4.744 4.320 -0.002 0.000 0.251 1176 K C -0.854 175.759 176.600 0.023 0.000 0.933 1176 K CA -0.856 55.452 56.287 0.035 0.000 0.798 1176 K CB 2.086 34.604 32.500 0.030 0.000 1.238 1176 K HN 0.527 nan 8.250 nan 0.000 0.428 1177 N N 3.790 122.501 118.700 0.017 0.000 2.406 1177 N HA 0.116 4.855 4.740 -0.002 0.000 0.251 1177 N C 0.506 176.034 175.510 0.031 0.000 1.069 1177 N CA -0.239 52.818 53.050 0.012 0.000 0.947 1177 N CB 0.651 39.139 38.487 0.002 0.000 1.111 1177 N HN 0.723 nan 8.380 nan 0.000 0.497 1178 I N 1.169 121.760 120.570 0.035 0.000 3.645 1178 I HA 0.311 4.479 4.170 -0.002 0.000 0.300 1178 I C -0.411 175.815 176.117 0.182 0.000 1.260 1178 I CA -0.048 61.307 61.300 0.090 0.000 1.365 1178 I CB 0.091 38.120 38.000 0.049 0.000 1.077 1178 I HN 0.317 nan 8.210 nan 0.000 0.439 1179 Y N 1.109 121.365 120.300 -0.072 0.000 2.480 1179 Y HA 0.377 4.925 4.550 -0.002 0.000 0.329 1179 Y C -0.076 175.790 175.900 -0.056 0.000 1.127 1179 Y CA -0.994 57.060 58.100 -0.076 0.000 1.037 1179 Y CB 1.442 39.774 38.460 -0.213 0.000 1.320 1179 Y HN -0.251 nan 8.280 nan 0.000 0.446 1180 K N 3.703 123.825 120.400 -0.464 0.000 2.358 1180 K HA 0.355 4.673 4.320 -0.002 0.000 0.197 1180 K C 0.608 176.849 176.600 -0.597 0.000 1.025 1180 K CA 0.731 56.778 56.287 -0.401 0.000 1.104 1180 K CB 0.675 33.039 32.500 -0.227 0.000 0.855 1180 K HN 1.010 nan 8.250 nan 0.000 0.531 1181 G N 1.314 109.319 108.800 -1.325 0.000 2.725 1181 G HA2 -0.286 3.672 3.960 -0.002 0.000 0.220 1181 G HA3 -0.286 3.672 3.960 -0.002 0.000 0.220 1181 G C 0.046 174.631 174.900 -0.526 0.000 1.357 1181 G CA -0.133 44.426 45.100 -0.901 0.000 0.866 1181 G HN 0.257 nan 8.290 nan 0.000 0.548 1182 T N -3.427 110.940 114.554 -0.311 0.000 2.876 1182 T HA 0.593 4.942 4.350 -0.002 0.000 0.277 1182 T C 1.296 175.899 174.700 -0.163 0.000 0.997 1182 T CA 0.825 62.753 62.100 -0.286 0.000 0.966 1182 T CB 1.499 70.091 68.868 -0.459 0.000 1.312 1182 T HN 1.169 nan 8.240 nan 0.000 0.598 1183 D N -0.238 120.109 120.400 -0.089 0.000 2.378 1183 D HA -0.033 4.606 4.640 -0.002 0.000 0.222 1183 D C 1.633 177.923 176.300 -0.016 0.000 0.980 1183 D CA 0.421 54.395 54.000 -0.043 0.000 0.907 1183 D CB -0.607 40.200 40.800 0.011 0.000 0.899 1183 D HN 0.620 nan 8.370 nan 0.000 0.527 1184 I N -0.296 120.291 120.570 0.028 0.000 2.546 1184 I HA -0.149 4.019 4.170 -0.002 0.000 0.255 1184 I C 0.914 177.013 176.117 -0.030 0.000 1.163 1184 I CA 0.365 61.687 61.300 0.036 0.000 1.457 1184 I CB -0.304 37.753 38.000 0.095 0.000 1.092 1184 I HN -0.002 nan 8.210 nan 0.000 0.434 1185 Q N -1.021 118.732 119.800 -0.078 0.000 0.603 1185 Q HA -0.277 4.062 4.340 -0.002 0.000 0.339 1185 Q C 0.161 176.110 176.000 -0.085 0.000 1.076 1185 Q CA 0.486 56.221 55.803 -0.113 0.000 0.347 1185 Q CB -0.790 27.780 28.738 -0.280 0.000 5.454 1185 Q HN 0.246 nan 8.270 nan 0.000 0.353 1186 L N -1.276 119.915 121.223 -0.054 0.000 3.678 1186 L HA -0.200 4.139 4.340 -0.002 0.000 0.425 1186 L C 0.033 176.639 176.870 -0.438 0.000 1.240 1186 L CA 1.648 55.977 54.840 -0.852 0.000 0.876 1186 L CB -2.316 39.277 42.059 -0.775 0.000 1.766 1186 L HN 0.537 nan 8.230 nan 0.000 0.917 1187 T N 0.635 115.169 114.554 -0.032 0.000 2.817 1187 T HA 0.438 4.787 4.350 -0.002 0.000 0.295 1187 T C 0.586 175.435 174.700 0.248 0.000 0.958 1187 T CA 0.477 62.629 62.100 0.087 0.000 1.157 1187 T CB 0.793 69.677 68.868 0.028 0.000 0.898 1187 T HN 0.664 nan 8.240 nan 0.000 0.536 1188 E N 1.405 121.732 120.200 0.211 0.000 2.269 1188 E HA 0.564 4.912 4.350 -0.002 0.000 0.243 1188 E C 0.335 176.980 176.600 0.074 0.000 1.114 1188 E CA -1.163 55.387 56.400 0.251 0.000 0.896 1188 E CB 0.070 30.095 29.700 0.540 0.000 1.811 1188 E HN 0.563 nan 8.360 nan 0.000 0.472 1189 G N 1.870 110.698 108.800 0.047 0.000 2.395 1189 G HA2 -0.189 3.769 3.960 -0.002 0.000 0.300 1189 G HA3 -0.189 3.769 3.960 -0.002 0.000 0.300 1189 G C -2.145 172.505 174.900 -0.417 0.000 0.998 1189 G CA 0.335 45.244 45.100 -0.318 0.000 1.046 1189 G HN 0.407 nan 8.290 nan 0.000 0.513 1190 P HA 0.225 nan 4.420 nan 0.000 0.271 1190 P C -0.444 176.609 177.300 -0.411 0.000 1.216 1190 P CA 0.368 63.318 63.100 -0.250 0.000 0.771 1190 P CB 0.982 32.603 31.700 -0.132 0.000 0.864 1191 H N 2.168 121.225 119.070 -0.021 0.000 2.856 1191 H HA 0.370 4.925 4.556 -0.002 0.000 0.355 1191 H C -0.513 174.647 175.328 -0.279 0.000 1.079 1191 H CA -0.707 55.277 56.048 -0.106 0.000 1.240 1191 H CB 1.535 31.305 29.762 0.014 0.000 1.701 1191 H HN 0.247 nan 8.280 nan 0.000 0.527 1192 L N 3.461 124.516 121.223 -0.280 0.000 2.309 1192 L HA 0.383 4.722 4.340 -0.002 0.000 0.282 1192 L C -0.924 175.664 176.870 -0.470 0.000 1.036 1192 L CA -0.472 54.133 54.840 -0.391 0.000 0.806 1192 L CB 0.436 42.081 42.059 -0.691 0.000 1.220 1192 L HN 0.482 nan 8.230 nan 0.000 0.429 1193 Y N 1.830 122.278 120.300 0.247 0.000 2.492 1193 Y HA 0.501 5.049 4.550 -0.003 0.000 0.346 1193 Y C -0.218 175.931 175.900 0.415 0.000 0.997 1193 Y CA -0.964 57.402 58.100 0.443 0.000 1.025 1193 Y CB 1.908 40.651 38.460 0.472 0.000 1.263 1193 Y HN 0.375 nan 8.280 nan 0.000 0.454 1194 K N 3.028 123.780 120.400 0.586 0.000 2.358 1194 K HA 0.566 4.885 4.320 -0.002 0.000 0.260 1194 K C -1.402 175.373 176.600 0.293 0.000 0.956 1194 K CA -0.736 55.741 56.287 0.316 0.000 0.834 1194 K CB 1.062 33.706 32.500 0.240 0.000 1.102 1194 K HN 0.739 nan 8.250 nan 0.000 0.431 1195 K N 3.810 124.350 120.400 0.233 0.000 2.550 1195 K HA 0.141 4.459 4.320 -0.002 0.000 0.252 1195 K C -1.324 175.289 176.600 0.023 0.000 0.943 1195 K CA -0.444 55.905 56.287 0.103 0.000 0.806 1195 K CB 1.112 33.565 32.500 -0.078 0.000 1.289 1195 K HN 0.630 nan 8.250 nan 0.000 0.435 1196 D N 3.266 123.624 120.400 -0.070 0.000 2.686 1196 D HA -0.194 4.444 4.640 -0.002 0.000 0.235 1196 D C 0.733 176.935 176.300 -0.163 0.000 1.160 1196 D CA 2.134 56.068 54.000 -0.109 0.000 0.645 1196 D CB -1.202 39.513 40.800 -0.141 0.000 1.039 1196 D HN 1.078 nan 8.370 nan 0.000 0.423 1197 G N -1.717 106.964 108.800 -0.199 0.000 2.205 1197 G HA2 -0.376 3.583 3.960 -0.002 0.000 0.261 1197 G HA3 -0.376 3.583 3.960 -0.002 0.000 0.261 1197 G C 0.094 174.720 174.900 -0.458 0.000 0.980 1197 G CA 0.542 45.443 45.100 -0.332 0.000 0.632 1197 G HN 0.466 nan 8.290 nan 0.000 0.533 1198 Y N -0.820 119.300 120.300 -0.299 0.000 2.457 1198 Y HA 0.691 5.240 4.550 -0.003 0.000 0.333 1198 Y C -0.006 175.642 175.900 -0.421 0.000 1.119 1198 Y CA -1.410 56.434 58.100 -0.427 0.000 1.143 1198 Y CB 1.163 39.196 38.460 -0.711 0.000 1.230 1198 Y HN 0.090 nan 8.280 nan 0.000 0.469 1199 Y N 1.877 122.125 120.300 -0.087 0.000 2.385 1199 Y HA 0.314 4.863 4.550 -0.002 0.000 0.341 1199 Y C -1.026 174.852 175.900 -0.035 0.000 0.965 1199 Y CA -0.847 57.229 58.100 -0.040 0.000 1.180 1199 Y CB 0.247 38.643 38.460 -0.106 0.000 1.139 1199 Y HN 0.442 nan 8.280 nan 0.000 0.502 1200 Y N 3.900 124.386 120.300 0.310 0.000 2.320 1200 Y HA 0.418 4.967 4.550 -0.002 0.000 0.334 1200 Y C -0.539 175.535 175.900 0.289 0.000 1.055 1200 Y CA -0.862 57.427 58.100 0.315 0.000 1.143 1200 Y CB 1.292 39.966 38.460 0.356 0.000 1.193 1200 Y HN 0.426 nan 8.280 nan 0.000 0.477 1201 L N 5.988 127.394 121.223 0.306 0.000 2.318 1201 L HA 0.512 4.851 4.340 -0.002 0.000 0.277 1201 L C -1.585 175.338 176.870 0.088 0.000 1.008 1201 L CA -0.765 54.083 54.840 0.012 0.000 0.846 1201 L CB 0.720 42.451 42.059 -0.546 0.000 1.220 1201 L HN 0.579 nan 8.230 nan 0.000 0.423 1202 L N 5.805 127.169 121.223 0.235 0.000 2.312 1202 L HA 0.763 5.102 4.340 -0.002 0.000 0.281 1202 L C -0.812 176.132 176.870 0.123 0.000 1.070 1202 L CA 0.077 55.063 54.840 0.245 0.000 0.805 1202 L CB 1.654 43.980 42.059 0.444 0.000 1.174 1202 L HN 0.503 nan 8.230 nan 0.000 0.434 1203 V N 4.125 124.090 119.914 0.086 0.000 3.159 1203 V HA 0.904 5.022 4.120 -0.002 0.000 0.308 1203 V C -0.690 175.414 176.094 0.017 0.000 1.190 1203 V CA -0.228 62.095 62.300 0.039 0.000 1.037 1203 V CB 2.278 34.176 31.823 0.125 0.000 1.060 1203 V HN 1.074 nan 8.190 nan 0.000 0.437 1204 A N 3.100 125.907 122.820 -0.022 0.000 2.312 1204 A HA 0.928 5.247 4.320 -0.002 0.000 0.328 1204 A C -0.515 177.123 177.584 0.089 0.000 1.158 1204 A CA -0.420 51.621 52.037 0.008 0.000 0.821 1204 A CB 1.007 20.026 19.000 0.032 0.000 1.170 1204 A HN 0.854 nan 8.150 nan 0.000 0.490 1205 E N -0.485 119.778 120.200 0.106 0.000 2.449 1205 E HA 0.541 4.889 4.350 -0.002 0.000 0.278 1205 E C 0.373 177.060 176.600 0.144 0.000 0.992 1205 E CA -0.468 55.986 56.400 0.090 0.000 0.807 1205 E CB 1.806 31.539 29.700 0.056 0.000 1.350 1205 E HN 1.521 nan 8.360 nan 0.000 0.462 1206 G N 0.190 109.024 108.800 0.056 0.000 2.212 1206 G HA2 -0.128 3.831 3.960 -0.002 0.000 0.266 1206 G HA3 -0.128 3.831 3.960 -0.002 0.000 0.266 1206 G C 0.557 175.496 174.900 0.064 0.000 0.978 1206 G CA 0.302 45.444 45.100 0.069 0.000 0.632 1206 G HN 1.366 nan 8.290 nan 0.000 0.537 1207 G N -2.130 106.698 108.800 0.047 0.000 2.719 1207 G HA2 0.258 4.217 3.960 -0.002 0.000 0.686 1207 G HA3 0.258 4.217 3.960 -0.002 0.000 0.686 1207 G C 0.324 175.112 174.900 -0.187 0.000 1.201 1207 G CA 0.748 45.846 45.100 -0.005 0.000 0.768 1207 G HN 1.620 nan 8.290 nan 0.000 0.629 1208 T N 0.690 115.028 114.554 -0.359 0.000 3.496 1208 T HA 0.238 4.587 4.350 -0.002 0.000 0.253 1208 T C 1.062 175.520 174.700 -0.402 0.000 1.134 1208 T CA 1.987 63.613 62.100 -0.790 0.000 0.993 1208 T CB -0.465 68.113 68.868 -0.484 0.000 1.018 1208 T HN 0.564 nan 8.240 nan 0.000 0.571 1209 E N -0.623 119.442 120.200 -0.226 0.000 3.388 1209 E HA 0.237 4.585 4.350 -0.002 0.000 0.271 1209 E C 0.420 176.866 176.600 -0.256 0.000 0.808 1209 E CA -0.692 55.560 56.400 -0.247 0.000 1.710 1209 E CB 0.187 29.834 29.700 -0.089 0.000 1.831 1209 E HN 0.259 nan 8.360 nan 0.000 0.541 1210 Y N 0.541 120.871 120.300 0.050 0.000 2.574 1210 Y HA -0.063 4.485 4.550 -0.002 0.000 0.294 1210 Y C 1.341 177.285 175.900 0.073 0.000 1.142 1210 Y CA 0.789 58.924 58.100 0.058 0.000 1.314 1210 Y CB 0.068 38.543 38.460 0.025 0.000 0.991 1210 Y HN 0.296 nan 8.280 nan 0.000 0.555 1211 E N -1.568 118.731 120.200 0.166 0.000 2.501 1211 E HA 0.048 4.396 4.350 -0.002 0.000 0.200 1211 E C -0.127 176.571 176.600 0.163 0.000 1.016 1211 E CA -0.082 56.402 56.400 0.139 0.000 0.921 1211 E CB -0.352 29.412 29.700 0.108 0.000 1.034 1211 E HN 0.423 nan 8.360 nan 0.000 0.468 1212 H N 0.059 119.155 119.070 0.043 0.000 2.929 1212 H HA 0.284 4.839 4.556 -0.003 0.000 0.358 1212 H C -0.263 175.090 175.328 0.042 0.000 1.111 1212 H CA 0.261 56.335 56.048 0.044 0.000 1.409 1212 H CB 0.575 30.363 29.762 0.043 0.000 1.373 1212 H HN 0.208 nan 8.280 nan 0.000 0.610 1213 A N 2.012 124.807 122.820 -0.042 0.000 2.586 1213 A HA 0.643 4.962 4.320 -0.002 0.000 0.290 1213 A C -1.734 175.749 177.584 -0.168 0.000 1.086 1213 A CA -0.086 51.887 52.037 -0.106 0.000 0.665 1213 A CB 1.131 20.133 19.000 0.004 0.000 1.279 1213 A HN 0.803 nan 8.150 nan 0.000 0.423 1214 A N 0.541 123.294 122.820 -0.112 0.000 2.343 1214 A HA 0.851 5.169 4.320 -0.002 0.000 0.308 1214 A C -0.192 177.389 177.584 -0.005 0.000 1.092 1214 A CA 0.171 52.169 52.037 -0.065 0.000 0.751 1214 A CB 0.867 19.821 19.000 -0.077 0.000 1.203 1214 A HN 2.110 nan 8.150 nan 0.000 0.452 1215 T N 0.473 115.053 114.554 0.043 0.000 2.876 1215 T HA 0.700 5.048 4.350 -0.002 0.000 0.289 1215 T C -0.592 174.155 174.700 0.078 0.000 1.014 1215 T CA -0.672 61.472 62.100 0.073 0.000 0.986 1215 T CB 1.205 70.142 68.868 0.115 0.000 1.021 1215 T HN 0.590 nan 8.240 nan 0.000 0.458 1216 L N 2.006 123.271 121.223 0.070 0.000 2.325 1216 L HA 0.832 5.170 4.340 -0.002 0.000 0.278 1216 L C -0.256 176.724 176.870 0.183 0.000 1.023 1216 L CA -0.805 54.132 54.840 0.161 0.000 0.811 1216 L CB 1.517 43.716 42.059 0.233 0.000 1.249 1216 L HN 1.121 nan 8.230 nan 0.000 0.431 1217 A N 4.680 127.642 122.820 0.236 0.000 2.532 1217 A HA 0.921 5.240 4.320 -0.002 0.000 0.290 1217 A C -1.299 176.498 177.584 0.354 0.000 1.143 1217 A CA -0.703 51.459 52.037 0.209 0.000 0.728 1217 A CB 2.139 20.915 19.000 -0.373 0.000 1.317 1217 A HN 0.823 nan 8.150 nan 0.000 0.414 1218 R N -0.583 120.065 120.500 0.247 0.000 2.734 1218 R HA 0.856 5.195 4.340 -0.002 0.000 0.271 1218 R C -1.211 174.910 176.300 -0.300 0.000 1.021 1218 R CA -0.265 55.744 56.100 -0.151 0.000 0.893 1218 R CB 1.468 31.210 30.300 -0.929 0.000 1.244 1218 R HN 1.114 nan 8.270 nan 0.000 0.464 1219 S N -0.573 114.868 115.700 -0.431 0.000 2.552 1219 S HA 0.148 4.616 4.470 -0.002 0.000 0.272 1219 S C -0.274 174.263 174.600 -0.105 0.000 1.150 1219 S CA -0.664 57.269 58.200 -0.445 0.000 0.849 1219 S CB 2.256 64.754 63.200 -1.171 0.000 1.113 1219 S HN 0.779 nan 8.310 nan 0.000 0.458 1220 Q N 0.872 120.630 119.800 -0.070 0.000 2.378 1220 Q HA 0.105 4.443 4.340 -0.002 0.000 0.205 1220 Q C 0.277 176.300 176.000 0.039 0.000 0.954 1220 Q CA 0.649 56.408 55.803 -0.072 0.000 0.901 1220 Q CB 0.249 28.907 28.738 -0.135 0.000 0.981 1220 Q HN 0.698 nan 8.270 nan 0.000 0.483 1221 S N -1.377 114.293 115.700 -0.049 0.000 2.536 1221 S HA 0.318 4.786 4.470 -0.002 0.000 0.298 1221 S C 0.516 174.862 174.600 -0.424 0.000 1.083 1221 S CA -0.835 57.301 58.200 -0.107 0.000 0.995 1221 S CB 1.500 64.612 63.200 -0.148 0.000 1.058 1221 S HN 0.230 nan 8.310 nan 0.000 0.488 1222 I N 0.983 121.002 120.570 -0.919 0.000 2.454 1222 I HA -0.167 4.001 4.170 -0.002 0.000 0.254 1222 I C 1.187 177.002 176.117 -0.504 0.000 1.156 1222 I CA 1.758 62.346 61.300 -1.187 0.000 1.433 1222 I CB -0.059 37.033 38.000 -1.514 0.000 1.082 1222 I HN 0.889 nan 8.210 nan 0.000 0.432 1223 D N -0.043 120.134 120.400 -0.372 0.000 2.342 1223 D HA 0.194 4.832 4.640 -0.002 0.000 0.221 1223 D C 0.936 177.225 176.300 -0.018 0.000 1.101 1223 D CA 0.698 54.603 54.000 -0.159 0.000 0.837 1223 D CB -0.107 40.595 40.800 -0.163 0.000 0.938 1223 D HN 0.425 nan 8.370 nan 0.000 0.508 1224 G N 1.762 110.492 108.800 -0.117 0.000 2.681 1224 G HA2 -0.186 3.772 3.960 -0.002 0.000 0.220 1224 G HA3 -0.186 3.772 3.960 -0.002 0.000 0.220 1224 G C -2.646 172.169 174.900 -0.141 0.000 1.353 1224 G CA -0.511 44.486 45.100 -0.172 0.000 0.872 1224 G HN 0.260 nan 8.290 nan 0.000 0.557 1225 P HA 0.390 nan 4.420 nan 0.000 0.271 1225 P C -1.084 176.166 177.300 -0.082 0.000 1.218 1225 P CA 0.132 63.236 63.100 0.008 0.000 0.780 1225 P CB 0.424 32.141 31.700 0.028 0.000 0.901 1226 Y N 0.255 120.568 120.300 0.021 0.000 2.320 1226 Y HA 0.248 4.797 4.550 -0.003 0.000 0.334 1226 Y C 1.254 177.175 175.900 0.034 0.000 1.055 1226 Y CA -0.235 57.846 58.100 -0.033 0.000 1.143 1226 Y CB 1.175 39.508 38.460 -0.213 0.000 1.193 1226 Y HN 0.408 nan 8.280 nan 0.000 0.477 1227 E N 1.884 122.167 120.200 0.139 0.000 2.216 1227 E HA 0.259 4.607 4.350 -0.002 0.000 0.279 1227 E C -0.784 175.942 176.600 0.210 0.000 0.997 1227 E CA -0.599 55.901 56.400 0.167 0.000 0.817 1227 E CB 1.261 31.056 29.700 0.159 0.000 1.096 1227 E HN 0.597 nan 8.360 nan 0.000 0.393 1228 T N 2.913 117.530 114.554 0.104 0.000 2.909 1228 T HA 0.036 4.384 4.350 -0.002 0.000 0.286 1228 T C -0.242 174.240 174.700 -0.364 0.000 1.002 1228 T CA -0.739 61.329 62.100 -0.053 0.000 1.074 1228 T CB 0.976 69.785 68.868 -0.099 0.000 0.984 1228 T HN 0.572 nan 8.240 nan 0.000 0.495 1229 D N 4.502 124.400 120.400 -0.838 0.000 2.451 1229 D HA 0.093 4.732 4.640 -0.002 0.000 0.254 1229 D C -1.507 174.417 176.300 -0.626 0.000 1.204 1229 D CA -1.684 51.365 54.000 -1.585 0.000 0.896 1229 D CB 1.371 41.433 40.800 -1.230 0.000 1.136 1229 D HN 0.299 nan 8.370 nan 0.000 0.499 1230 P HA -0.090 nan 4.420 nan 0.000 0.218 1230 P C 0.557 177.810 177.300 -0.078 0.000 1.146 1230 P CA 0.958 63.973 63.100 -0.142 0.000 0.813 1230 P CB 0.282 31.920 31.700 -0.104 0.000 0.778 1231 S N -1.700 113.871 115.700 -0.216 0.000 2.660 1231 S HA 0.070 4.538 4.470 -0.002 0.000 0.227 1231 S C 0.303 174.786 174.600 -0.196 0.000 0.948 1231 S CA -0.530 57.557 58.200 -0.188 0.000 0.948 1231 S CB -1.223 61.871 63.200 -0.176 0.000 0.779 1231 S HN 0.249 nan 8.310 nan 0.000 0.487 1232 Y N 2.513 122.673 120.300 -0.234 0.000 2.652 1232 Y HA 0.395 4.943 4.550 -0.003 0.000 0.344 1232 Y C -2.388 173.444 175.900 -0.113 0.000 1.254 1232 Y CA -2.605 55.391 58.100 -0.174 0.000 1.480 1232 Y CB -0.804 37.567 38.460 -0.149 0.000 1.345 1232 Y HN 0.011 nan 8.280 nan 0.000 0.617 1233 P HA 0.080 nan 4.420 nan 0.000 0.281 1233 P C 0.287 177.549 177.300 -0.063 0.000 1.264 1233 P CA -0.610 62.498 63.100 0.013 0.000 0.824 1233 P CB 1.914 33.625 31.700 0.018 0.000 1.092 1234 L N 1.625 122.814 121.223 -0.056 0.000 2.056 1234 L HA 0.015 4.354 4.340 -0.002 0.000 0.207 1234 L C 0.274 177.066 176.870 -0.129 0.000 1.078 1234 L CA 1.925 56.703 54.840 -0.102 0.000 0.749 1234 L CB -0.120 41.881 42.059 -0.097 0.000 0.901 1234 L HN 0.185 nan 8.230 nan 0.000 0.433 1235 V N -1.645 118.191 119.914 -0.130 0.000 3.012 1235 V HA 0.670 4.788 4.120 -0.002 0.000 0.307 1235 V C -0.437 175.574 176.094 -0.137 0.000 1.166 1235 V CA -0.198 62.001 62.300 -0.169 0.000 0.974 1235 V CB 1.530 33.183 31.823 -0.283 0.000 1.040 1235 V HN 0.163 nan 8.190 nan 0.000 0.428 1236 T N 1.028 115.522 114.554 -0.099 0.000 2.843 1236 T HA 0.412 4.760 4.350 -0.002 0.000 0.337 1236 T C -0.180 174.529 174.700 0.015 0.000 1.754 1236 T CA 0.399 62.475 62.100 -0.041 0.000 1.052 1236 T CB 1.833 70.689 68.868 -0.020 0.000 1.588 1236 T HN 0.662 nan 8.240 nan 0.000 0.493 1237 S N 0.622 116.355 115.700 0.055 0.000 2.666 1237 S HA 0.124 4.592 4.470 -0.002 0.000 0.239 1237 S C 1.904 176.558 174.600 0.089 0.000 1.031 1237 S CA 0.578 58.829 58.200 0.085 0.000 1.015 1237 S CB 0.185 63.458 63.200 0.122 0.000 0.981 1237 S HN 1.077 nan 8.310 nan 0.000 0.547 1238 T N 2.174 116.778 114.554 0.084 0.000 1.944 1238 T HA -0.284 4.064 4.350 -0.002 0.000 0.155 1238 T C 1.587 176.325 174.700 0.063 0.000 1.860 1238 T CA 1.790 63.939 62.100 0.083 0.000 0.978 1238 T CB -1.425 67.472 68.868 0.049 0.000 0.826 1238 T HN 0.462 nan 8.240 nan 0.000 0.400 1239 G N 1.474 110.290 108.800 0.027 0.000 3.639 1239 G HA2 0.459 4.417 3.960 -0.002 0.000 0.279 1239 G HA3 0.459 4.417 3.960 -0.002 0.000 0.279 1239 G C -0.074 174.822 174.900 -0.006 0.000 1.312 1239 G CA -0.469 44.635 45.100 0.006 0.000 1.355 1239 G HN 0.762 nan 8.290 nan 0.000 0.595 1240 Q N 0.037 119.840 119.800 0.005 0.000 3.064 1240 Q HA 0.191 4.529 4.340 -0.002 0.000 0.258 1240 Q C -2.077 173.923 176.000 -0.000 0.000 0.972 1240 Q CA -1.656 54.140 55.803 -0.011 0.000 0.761 1240 Q CB 2.488 31.213 28.738 -0.022 0.000 1.281 1240 Q HN 0.068 nan 8.270 nan 0.000 0.455 1241 P HA -0.202 nan 4.420 nan 0.000 0.221 1241 P C 0.260 177.554 177.300 -0.010 0.000 1.145 1241 P CA 1.167 64.252 63.100 -0.024 0.000 0.795 1241 P CB 0.410 32.079 31.700 -0.052 0.000 0.775 1242 E N -0.540 119.650 120.200 -0.017 0.000 2.268 1242 E HA -0.057 4.291 4.350 -0.002 0.000 0.195 1242 E C 0.552 177.153 176.600 0.002 0.000 0.995 1242 E CA 0.293 56.685 56.400 -0.015 0.000 0.836 1242 E CB -0.883 28.798 29.700 -0.032 0.000 0.763 1242 E HN 0.263 nan 8.360 nan 0.000 0.491 1243 L N 0.999 122.229 121.223 0.011 0.000 2.499 1243 L HA 0.052 4.390 4.340 -0.002 0.000 0.273 1243 L C 1.472 178.386 176.870 0.073 0.000 1.195 1243 L CA -0.202 54.663 54.840 0.041 0.000 0.882 1243 L CB 0.704 42.799 42.059 0.061 0.000 1.133 1243 L HN 0.131 nan 8.230 nan 0.000 0.483 1244 A N 5.476 128.345 122.820 0.082 0.000 1.933 1244 A HA 0.020 4.338 4.320 -0.002 0.000 0.218 1244 A C 0.929 178.590 177.584 0.129 0.000 1.175 1244 A CA 0.926 53.023 52.037 0.100 0.000 0.628 1244 A CB -0.262 18.797 19.000 0.098 0.000 0.814 1244 A HN 0.590 nan 8.150 nan 0.000 0.444 1245 L N 1.248 122.552 121.223 0.136 0.000 2.262 1245 L HA 0.308 4.647 4.340 -0.002 0.000 0.288 1245 L C -0.353 176.617 176.870 0.165 0.000 1.035 1245 L CA -0.684 54.251 54.840 0.159 0.000 0.820 1245 L CB 1.079 43.245 42.059 0.178 0.000 1.204 1245 L HN 0.315 nan 8.230 nan 0.000 0.424 1246 Q N 2.319 122.225 119.800 0.177 0.000 2.169 1246 Q HA 0.330 4.669 4.340 -0.002 0.000 0.234 1246 Q C 0.141 176.231 176.000 0.150 0.000 0.980 1246 Q CA -0.692 55.227 55.803 0.192 0.000 0.941 1246 Q CB 1.298 30.214 28.738 0.296 0.000 1.199 1246 Q HN 0.382 nan 8.270 nan 0.000 0.496 1247 K N -1.268 119.205 120.400 0.121 0.000 3.088 1247 K HA -0.209 4.110 4.320 -0.002 0.000 0.273 1247 K C -0.343 176.403 176.600 0.242 0.000 1.111 1247 K CA 0.582 56.940 56.287 0.118 0.000 0.803 1247 K CB -1.951 30.538 32.500 -0.019 0.000 1.226 1247 K HN 0.678 nan 8.250 nan 0.000 0.485 1248 A N 1.035 123.946 122.820 0.152 0.000 2.522 1248 A HA 0.492 4.811 4.320 -0.002 0.000 0.256 1248 A C 0.964 178.472 177.584 -0.127 0.000 1.086 1248 A CA 1.022 53.093 52.037 0.056 0.000 0.763 1248 A CB 0.326 19.246 19.000 -0.132 0.000 1.024 1248 A HN 0.639 nan 8.150 nan 0.000 0.502 1249 G N 0.458 109.146 108.800 -0.187 0.000 2.342 1249 G HA2 0.470 4.429 3.960 -0.002 0.000 0.297 1249 G HA3 0.470 4.429 3.960 -0.002 0.000 0.297 1249 G C -0.360 174.409 174.900 -0.219 0.000 1.313 1249 G CA 0.034 44.736 45.100 -0.662 0.000 0.830 1249 G HN 1.687 nan 8.290 nan 0.000 0.506 1250 H N -1.243 117.675 119.070 -0.252 0.000 2.604 1250 H HA -0.059 4.496 4.556 -0.003 0.000 0.324 1250 H C 0.831 176.276 175.328 0.196 0.000 1.068 1250 H CA 1.493 57.617 56.048 0.127 0.000 1.091 1250 H CB -0.802 29.142 29.762 0.304 0.000 1.611 1250 H HN 1.358 nan 8.280 nan 0.000 0.387 1251 G N 0.530 109.481 108.800 0.251 0.000 2.705 1251 G HA2 0.682 4.640 3.960 -0.002 0.000 0.299 1251 G HA3 0.682 4.640 3.960 -0.002 0.000 0.299 1251 G C -0.792 174.308 174.900 0.333 0.000 1.315 1251 G CA -0.145 45.132 45.100 0.294 0.000 1.045 1251 G HN 0.775 nan 8.290 nan 0.000 0.517 1252 S N -1.330 114.528 115.700 0.263 0.000 2.556 1252 S HA 0.698 5.167 4.470 -0.002 0.000 0.271 1252 S C -1.024 173.700 174.600 0.206 0.000 1.135 1252 S CA -0.792 57.552 58.200 0.240 0.000 0.858 1252 S CB 1.636 64.883 63.200 0.078 0.000 1.114 1252 S HN 0.524 nan 8.310 nan 0.000 0.468 1253 L N 1.646 122.963 121.223 0.156 0.000 2.331 1253 L HA 0.908 5.247 4.340 -0.002 0.000 0.275 1253 L C -0.632 176.323 176.870 0.142 0.000 1.022 1253 L CA -1.032 53.833 54.840 0.042 0.000 0.812 1253 L CB 1.800 43.700 42.059 -0.264 0.000 1.257 1253 L HN 0.635 nan 8.230 nan 0.000 0.435 1254 V N 1.836 121.844 119.914 0.158 0.000 2.971 1254 V HA 0.420 4.538 4.120 -0.002 0.000 0.309 1254 V C -1.298 174.677 176.094 -0.197 0.000 1.130 1254 V CA -0.336 62.008 62.300 0.072 0.000 0.964 1254 V CB 2.385 34.342 31.823 0.223 0.000 1.029 1254 V HN 0.885 nan 8.190 nan 0.000 0.427 1255 E N 3.163 123.072 120.200 -0.485 0.000 2.171 1255 E HA 0.594 4.943 4.350 -0.002 0.000 0.271 1255 E C -0.164 176.285 176.600 -0.253 0.000 0.916 1255 E CA -0.408 55.494 56.400 -0.829 0.000 0.774 1255 E CB 1.878 30.755 29.700 -1.372 0.000 1.128 1255 E HN 0.938 nan 8.360 nan 0.000 0.403 1256 T N 1.509 116.010 114.554 -0.088 0.000 2.732 1256 T HA 0.065 4.413 4.350 -0.002 0.000 0.287 1256 T C 1.038 175.740 174.700 0.004 0.000 0.993 1256 T CA -0.207 61.947 62.100 0.090 0.000 0.966 1256 T CB 0.840 69.799 68.868 0.152 0.000 1.047 1256 T HN 0.508 nan 8.240 nan 0.000 0.527 1257 Q N 0.355 120.173 119.800 0.031 0.000 2.291 1257 Q HA 0.020 4.358 4.340 -0.002 0.000 0.206 1257 Q C 1.855 177.864 176.000 0.015 0.000 0.976 1257 Q CA 1.238 57.040 55.803 -0.002 0.000 0.875 1257 Q CB -0.218 28.517 28.738 -0.005 0.000 0.927 1257 Q HN 0.564 nan 8.270 nan 0.000 0.450 1258 N N -0.986 117.737 118.700 0.038 0.000 2.353 1258 N HA 0.086 4.825 4.740 -0.002 0.000 0.185 1258 N C 0.630 176.181 175.510 0.068 0.000 1.098 1258 N CA 0.955 54.035 53.050 0.051 0.000 0.872 1258 N CB 1.087 39.613 38.487 0.065 0.000 0.970 1258 N HN 0.369 nan 8.380 nan 0.000 0.467 1259 G N 1.135 109.965 108.800 0.050 0.000 2.141 1259 G HA2 -0.238 3.720 3.960 -0.002 0.000 0.231 1259 G HA3 -0.238 3.720 3.960 -0.002 0.000 0.231 1259 G C -0.339 174.663 174.900 0.170 0.000 0.984 1259 G CA -0.277 44.880 45.100 0.095 0.000 0.660 1259 G HN 0.380 nan 8.290 nan 0.000 0.525 1260 E N -1.010 119.259 120.200 0.115 0.000 2.313 1260 E HA 0.536 4.884 4.350 -0.002 0.000 0.272 1260 E C -0.433 176.235 176.600 0.112 0.000 1.038 1260 E CA -0.534 55.984 56.400 0.197 0.000 0.863 1260 E CB 0.788 30.638 29.700 0.249 0.000 1.060 1260 E HN 0.331 nan 8.360 nan 0.000 0.402 1261 W N 1.611 122.936 121.300 0.041 0.000 2.632 1261 W HA 0.417 5.077 4.660 -0.002 0.000 0.328 1261 W C -0.939 175.453 176.519 -0.212 0.000 1.044 1261 W CA -0.307 57.056 57.345 0.029 0.000 1.225 1261 W CB 0.905 30.358 29.460 -0.012 0.000 1.396 1261 W HN 0.445 nan 8.180 nan 0.000 0.499 1262 Y N 2.425 122.832 120.300 0.178 0.000 2.512 1262 Y HA 0.573 5.122 4.550 -0.002 0.000 0.348 1262 Y C -0.769 175.195 175.900 0.106 0.000 0.990 1262 Y CA -1.348 56.813 58.100 0.103 0.000 1.033 1262 Y CB 2.023 40.514 38.460 0.051 0.000 1.259 1262 Y HN 0.162 nan 8.280 nan 0.000 0.461 1263 L N 3.047 124.398 121.223 0.214 0.000 2.316 1263 L HA 0.843 5.182 4.340 -0.002 0.000 0.280 1263 L C -0.606 176.397 176.870 0.222 0.000 1.006 1263 L CA -0.451 54.496 54.840 0.179 0.000 0.836 1263 L CB 0.662 42.782 42.059 0.101 0.000 1.221 1263 L HN 0.675 nan 8.230 nan 0.000 0.418 1264 A N 4.066 126.992 122.820 0.176 0.000 2.328 1264 A HA 0.670 4.988 4.320 -0.002 0.000 0.284 1264 A C -0.822 176.850 177.584 0.146 0.000 1.160 1264 A CA 0.006 52.090 52.037 0.079 0.000 0.818 1264 A CB -0.100 18.920 19.000 0.033 0.000 1.087 1264 A HN 1.000 nan 8.150 nan 0.000 0.504 1265 H N -0.476 118.623 119.070 0.048 0.000 3.017 1265 H HA 0.635 5.190 4.556 -0.002 0.000 0.346 1265 H C -0.861 174.506 175.328 0.065 0.000 1.286 1265 H CA -1.110 54.983 56.048 0.076 0.000 1.120 1265 H CB 0.320 30.112 29.762 0.050 0.000 1.860 1265 H HN 0.707 nan 8.280 nan 0.000 0.542 1266 L N 0.378 121.726 121.223 0.208 0.000 2.439 1266 L HA 0.825 5.164 4.340 -0.002 0.000 0.259 1266 L C 0.014 177.034 176.870 0.250 0.000 1.129 1266 L CA -0.661 54.266 54.840 0.144 0.000 0.803 1266 L CB 1.043 43.210 42.059 0.180 0.000 1.161 1266 L HN 1.153 nan 8.230 nan 0.000 0.462 1267 C N -1.658 117.735 119.300 0.154 0.000 3.295 1267 C HA 0.994 5.452 4.460 -0.002 0.000 0.341 1267 C C -0.072 174.989 174.990 0.119 0.000 1.418 1267 C CA -0.039 59.085 59.018 0.176 0.000 1.240 1267 C CB 1.105 28.956 27.740 0.184 0.000 1.562 1267 C HN 1.366 nan 8.230 nan 0.000 0.457 1268 G N 0.126 108.996 108.800 0.118 0.000 2.620 1268 G HA2 0.742 4.701 3.960 -0.002 0.000 0.301 1268 G HA3 0.742 4.701 3.960 -0.002 0.000 0.301 1268 G C -1.546 173.458 174.900 0.175 0.000 1.347 1268 G CA -0.774 44.395 45.100 0.116 0.000 0.971 1268 G HN 0.877 nan 8.290 nan 0.000 0.488 1269 R N 2.335 122.973 120.500 0.230 0.000 2.402 1269 R HA 0.293 4.632 4.340 -0.002 0.000 0.290 1269 R C -2.563 173.930 176.300 0.323 0.000 1.321 1269 R CA -1.436 54.842 56.100 0.297 0.000 1.283 1269 R CB 2.210 32.758 30.300 0.415 0.000 1.111 1269 R HN 0.416 nan 8.270 nan 0.000 0.578 1270 P HA 0.094 nan 4.420 nan 0.000 0.271 1270 P C -0.499 176.837 177.300 0.061 0.000 1.216 1270 P CA -0.045 63.159 63.100 0.174 0.000 0.776 1270 P CB 1.259 33.065 31.700 0.177 0.000 0.881 1271 L N 3.136 124.400 121.223 0.070 0.000 2.334 1271 L HA 0.348 4.687 4.340 -0.002 0.000 0.272 1271 L C 1.091 178.021 176.870 0.101 0.000 1.020 1271 L CA -0.973 53.868 54.840 0.001 0.000 0.812 1271 L CB 0.914 42.967 42.059 -0.010 0.000 1.264 1271 L HN 0.466 nan 8.230 nan 0.000 0.439 1272 K N 1.958 122.396 120.400 0.063 0.000 3.035 1272 K HA -0.276 4.043 4.320 -0.002 0.000 0.262 1272 K C 0.851 177.472 176.600 0.035 0.000 1.024 1272 K CA 0.504 56.853 56.287 0.102 0.000 0.748 1272 K CB -1.635 31.006 32.500 0.236 0.000 1.247 1272 K HN 1.183 nan 8.250 nan 0.000 0.482 1273 G N 0.603 109.376 108.800 -0.044 0.000 2.498 1273 G HA2 -0.419 3.539 3.960 -0.002 0.000 0.229 1273 G HA3 -0.419 3.539 3.960 -0.002 0.000 0.229 1273 G C 0.507 175.258 174.900 -0.249 0.000 1.156 1273 G CA 0.947 45.967 45.100 -0.134 0.000 0.680 1273 G HN 0.519 nan 8.290 nan 0.000 0.512 1274 K N -1.273 118.903 120.400 -0.374 0.000 2.614 1274 K HA 0.443 4.762 4.320 -0.002 0.000 0.190 1274 K C -0.596 175.771 176.600 -0.388 0.000 1.255 1274 K CA -0.508 55.533 56.287 -0.411 0.000 1.099 1274 K CB 0.212 32.372 32.500 -0.568 0.000 1.023 1274 K HN 0.270 nan 8.250 nan 0.000 0.576 1275 Y N 1.268 121.629 120.300 0.102 0.000 2.434 1275 Y HA 0.312 4.861 4.550 -0.003 0.000 0.341 1275 Y C -0.141 175.835 175.900 0.126 0.000 0.965 1275 Y CA -1.334 56.821 58.100 0.091 0.000 1.205 1275 Y CB 0.912 39.398 38.460 0.042 0.000 1.121 1275 Y HN 0.100 nan 8.280 nan 0.000 0.507 1276 C N 2.895 122.343 119.300 0.245 0.000 2.145 1276 C HA 0.092 4.550 4.460 -0.002 0.000 0.374 1276 C C 1.852 176.983 174.990 0.235 0.000 1.035 1276 C CA -0.250 58.914 59.018 0.244 0.000 1.431 1276 C CB -1.694 26.154 27.740 0.180 0.000 1.789 1276 C HN 1.001 nan 8.230 nan 0.000 0.483 1277 T N -0.699 114.023 114.554 0.279 0.000 2.915 1277 T HA -0.083 4.265 4.350 -0.002 0.000 0.269 1277 T C 1.182 175.998 174.700 0.192 0.000 1.071 1277 T CA 1.132 63.371 62.100 0.230 0.000 1.132 1277 T CB -0.128 68.887 68.868 0.246 0.000 0.878 1277 T HN 0.645 nan 8.240 nan 0.000 0.479 1278 L N 0.970 122.283 121.223 0.150 0.000 2.612 1278 L HA 0.362 4.701 4.340 -0.002 0.000 0.230 1278 L C 1.763 178.679 176.870 0.077 0.000 1.140 1278 L CA 0.031 54.883 54.840 0.019 0.000 0.896 1278 L CB -1.301 40.651 42.059 -0.178 0.000 1.065 1278 L HN 0.654 nan 8.230 nan 0.000 0.447 1279 G N 1.246 110.134 108.800 0.147 0.000 2.569 1279 G HA2 -0.296 3.662 3.960 -0.002 0.000 0.259 1279 G HA3 -0.296 3.662 3.960 -0.002 0.000 0.259 1279 G C -0.158 174.827 174.900 0.142 0.000 1.263 1279 G CA -0.403 44.792 45.100 0.159 0.000 0.928 1279 G HN 0.345 nan 8.290 nan 0.000 0.572 1280 R N 1.059 121.658 120.500 0.166 0.000 2.312 1280 R HA 0.527 4.866 4.340 -0.002 0.000 0.311 1280 R C 0.135 176.506 176.300 0.119 0.000 1.004 1280 R CA -0.299 55.877 56.100 0.127 0.000 0.902 1280 R CB 1.193 31.562 30.300 0.115 0.000 1.073 1280 R HN 0.639 nan 8.270 nan 0.000 0.457 1281 E N 0.632 120.877 120.200 0.075 0.000 2.264 1281 E HA 0.301 4.650 4.350 -0.002 0.000 0.260 1281 E C -0.679 175.900 176.600 -0.035 0.000 0.961 1281 E CA -0.855 55.567 56.400 0.036 0.000 0.834 1281 E CB 1.872 31.577 29.700 0.008 0.000 1.230 1281 E HN 0.308 nan 8.360 nan 0.000 0.412 1282 T N 1.001 115.482 114.554 -0.122 0.000 2.799 1282 T HA 0.580 4.929 4.350 -0.002 0.000 0.286 1282 T C -0.637 173.875 174.700 -0.314 0.000 0.973 1282 T CA -0.449 61.512 62.100 -0.232 0.000 1.035 1282 T CB 1.045 69.726 68.868 -0.312 0.000 0.932 1282 T HN 0.507 nan 8.240 nan 0.000 0.469 1283 A N 3.350 125.920 122.820 -0.417 0.000 2.435 1283 A HA 0.942 5.261 4.320 -0.002 0.000 0.296 1283 A C -1.143 176.182 177.584 -0.432 0.000 1.147 1283 A CA -0.823 50.963 52.037 -0.419 0.000 0.775 1283 A CB 1.265 20.009 19.000 -0.426 0.000 1.340 1283 A HN 0.841 nan 8.150 nan 0.000 0.427 1284 I N -0.401 120.057 120.570 -0.185 0.000 2.722 1284 I HA 0.433 4.602 4.170 -0.002 0.000 0.295 1284 I C -1.439 174.771 176.117 0.155 0.000 1.161 1284 I CA -0.521 60.782 61.300 0.004 0.000 1.032 1284 I CB 2.072 40.088 38.000 0.026 0.000 1.244 1284 I HN 0.648 nan 8.210 nan 0.000 0.421 1285 Q N 5.396 125.335 119.800 0.232 0.000 2.413 1285 Q HA 0.412 4.750 4.340 -0.002 0.000 0.276 1285 Q C -1.296 174.741 176.000 0.062 0.000 1.099 1285 Q CA -0.840 55.056 55.803 0.155 0.000 0.814 1285 Q CB 2.572 31.367 28.738 0.095 0.000 1.379 1285 Q HN 0.507 nan 8.270 nan 0.000 0.436 1286 K N 0.883 121.209 120.400 -0.123 0.000 2.201 1286 K HA 0.504 4.822 4.320 -0.002 0.000 0.278 1286 K C -1.016 175.387 176.600 -0.328 0.000 1.027 1286 K CA -0.395 55.565 56.287 -0.546 0.000 0.909 1286 K CB 1.153 33.365 32.500 -0.480 0.000 1.062 1286 K HN 0.382 nan 8.250 nan 0.000 0.465 1287 V N 4.514 124.225 119.914 -0.337 0.000 2.735 1287 V HA 0.473 4.592 4.120 -0.002 0.000 0.310 1287 V C -1.459 174.476 176.094 -0.265 0.000 1.061 1287 V CA -0.820 61.318 62.300 -0.270 0.000 0.913 1287 V CB 2.008 33.661 31.823 -0.283 0.000 1.005 1287 V HN 0.903 nan 8.190 nan 0.000 0.428 1288 N N 4.191 122.730 118.700 -0.268 0.000 2.319 1288 N HA 0.420 5.159 4.740 -0.002 0.000 0.305 1288 N C -1.286 174.037 175.510 -0.312 0.000 1.103 1288 N CA -0.263 52.670 53.050 -0.195 0.000 0.815 1288 N CB 1.913 40.350 38.487 -0.083 0.000 1.288 1288 N HN 0.703 nan 8.380 nan 0.000 0.493 1289 W N 1.021 122.209 121.300 -0.186 0.000 2.238 1289 W HA 0.181 4.839 4.660 -0.003 0.000 0.321 1289 W C 1.339 177.793 176.519 -0.108 0.000 1.293 1289 W CA -0.265 56.948 57.345 -0.220 0.000 1.204 1289 W CB 0.593 29.869 29.460 -0.307 0.000 1.167 1289 W HN 0.381 nan 8.180 nan 0.000 0.553 1290 T N -1.017 113.631 114.554 0.157 0.000 2.881 1290 T HA 0.160 4.509 4.350 -0.002 0.000 0.278 1290 T C 1.008 175.781 174.700 0.121 0.000 0.982 1290 T CA -0.698 61.475 62.100 0.122 0.000 0.989 1290 T CB 1.367 70.319 68.868 0.141 0.000 1.058 1290 T HN 0.456 nan 8.240 nan 0.000 0.529 1291 E N 1.053 121.307 120.200 0.089 0.000 2.160 1291 E HA -0.133 4.215 4.350 -0.002 0.000 0.195 1291 E C 1.103 177.742 176.600 0.063 0.000 0.991 1291 E CA 1.458 57.898 56.400 0.067 0.000 0.810 1291 E CB -0.224 29.509 29.700 0.056 0.000 0.742 1291 E HN 0.870 nan 8.360 nan 0.000 0.466 1292 D N -1.261 119.194 120.400 0.092 0.000 2.395 1292 D HA 0.162 4.800 4.640 -0.002 0.000 0.226 1292 D C 0.891 177.148 176.300 -0.071 0.000 1.146 1292 D CA 0.297 54.339 54.000 0.070 0.000 0.830 1292 D CB -0.027 40.869 40.800 0.160 0.000 0.958 1292 D HN 0.091 nan 8.370 nan 0.000 0.501 1293 G N -0.364 108.410 108.800 -0.044 0.000 2.182 1293 G HA2 -0.253 3.705 3.960 -0.002 0.000 0.248 1293 G HA3 -0.253 3.705 3.960 -0.002 0.000 0.248 1293 G C -0.487 174.282 174.900 -0.220 0.000 1.042 1293 G CA -0.025 44.995 45.100 -0.134 0.000 0.775 1293 G HN 0.335 nan 8.290 nan 0.000 0.501 1294 W N -1.488 119.953 121.300 0.235 0.000 3.021 1294 W HA 0.790 5.448 4.660 -0.003 0.000 0.337 1294 W C 0.375 176.712 176.519 -0.304 0.000 1.171 1294 W CA -1.380 55.987 57.345 0.036 0.000 1.060 1294 W CB 1.156 30.613 29.460 -0.005 0.000 1.472 1294 W HN 0.071 nan 8.180 nan 0.000 0.594 1295 L N 1.373 122.446 121.223 -0.250 0.000 2.330 1295 L HA 0.728 5.067 4.340 -0.002 0.000 0.271 1295 L C -0.213 176.484 176.870 -0.289 0.000 1.013 1295 L CA -1.128 53.352 54.840 -0.600 0.000 0.816 1295 L CB 2.023 43.549 42.059 -0.887 0.000 1.287 1295 L HN 0.408 nan 8.230 nan 0.000 0.435 1296 R N 1.872 122.197 120.500 -0.292 0.000 2.643 1296 R HA 0.438 4.777 4.340 -0.002 0.000 0.269 1296 R C -1.105 175.073 176.300 -0.204 0.000 1.037 1296 R CA -0.797 55.185 56.100 -0.196 0.000 0.894 1296 R CB 1.531 31.754 30.300 -0.128 0.000 1.238 1296 R HN 0.387 nan 8.270 nan 0.000 0.459 1297 I N 3.785 124.241 120.570 -0.190 0.000 2.872 1297 I HA -0.116 4.053 4.170 -0.002 0.000 0.291 1297 I C 1.870 177.888 176.117 -0.164 0.000 1.216 1297 I CA 0.766 61.951 61.300 -0.192 0.000 1.424 1297 I CB 0.751 38.609 38.000 -0.236 0.000 1.351 1297 I HN 0.887 nan 8.210 nan 0.000 0.592 1298 E N 3.206 123.316 120.200 -0.150 0.000 2.219 1298 E HA -0.267 4.081 4.350 -0.002 0.000 0.198 1298 E C 0.637 177.188 176.600 -0.083 0.000 0.998 1298 E CA 1.629 57.961 56.400 -0.113 0.000 0.818 1298 E CB -0.197 29.442 29.700 -0.101 0.000 0.741 1298 E HN 0.755 nan 8.360 nan 0.000 0.477 1299 D N -0.480 119.863 120.400 -0.095 0.000 2.328 1299 D HA 0.091 4.730 4.640 -0.002 0.000 0.221 1299 D C 1.329 177.598 176.300 -0.053 0.000 1.072 1299 D CA 0.466 54.431 54.000 -0.059 0.000 0.850 1299 D CB 0.380 41.157 40.800 -0.039 0.000 0.922 1299 D HN 0.374 nan 8.370 nan 0.000 0.516 1300 G N -0.686 108.068 108.800 -0.077 0.000 2.205 1300 G HA2 -0.201 3.757 3.960 -0.002 0.000 0.261 1300 G HA3 -0.201 3.757 3.960 -0.002 0.000 0.261 1300 G C 0.691 175.551 174.900 -0.067 0.000 0.980 1300 G CA 0.193 45.257 45.100 -0.060 0.000 0.632 1300 G HN 0.805 nan 8.290 nan 0.000 0.533 1301 G N -0.878 107.859 108.800 -0.106 0.000 2.510 1301 G HA2 0.496 4.454 3.960 -0.002 0.000 0.280 1301 G HA3 0.496 4.454 3.960 -0.002 0.000 0.280 1301 G C 0.491 175.297 174.900 -0.157 0.000 1.386 1301 G CA 0.350 45.391 45.100 -0.099 0.000 1.047 1301 G HN 0.489 nan 8.290 nan 0.000 0.527 1302 N N -1.494 117.153 118.700 -0.088 0.000 2.170 1302 N HA 0.049 4.787 4.740 -0.002 0.000 0.222 1302 N C -0.204 175.263 175.510 -0.071 0.000 1.218 1302 N CA -0.411 52.585 53.050 -0.089 0.000 0.889 1302 N CB 0.193 38.654 38.487 -0.044 0.000 1.083 1302 N HN 0.656 nan 8.380 nan 0.000 0.520 1303 H N -0.289 118.742 119.070 -0.065 0.000 2.651 1303 H HA 0.506 5.061 4.556 -0.002 0.000 0.353 1303 H C -3.039 172.259 175.328 -0.049 0.000 1.178 1303 H CA -2.336 53.680 56.048 -0.054 0.000 1.224 1303 H CB 0.788 30.535 29.762 -0.026 0.000 1.702 1303 H HN -0.048 nan 8.280 nan 0.000 0.550 1304 P HA 0.227 nan 4.420 nan 0.000 0.279 1304 P C -0.359 177.020 177.300 0.132 0.000 1.239 1304 P CA -0.387 62.738 63.100 0.042 0.000 0.789 1304 P CB 1.551 33.316 31.700 0.108 0.000 0.933 1305 L N 3.213 124.492 121.223 0.094 0.000 2.334 1305 L HA 0.423 4.762 4.340 -0.002 0.000 0.275 1305 L C 2.155 179.091 176.870 0.110 0.000 1.036 1305 L CA -0.732 54.175 54.840 0.111 0.000 0.807 1305 L CB 1.679 43.773 42.059 0.057 0.000 1.231 1305 L HN 0.431 nan 8.230 nan 0.000 0.438 1306 R N 0.896 121.457 120.500 0.102 0.000 2.119 1306 R HA 0.057 4.395 4.340 -0.002 0.000 0.222 1306 R C -0.097 176.241 176.300 0.064 0.000 1.088 1306 R CA 0.855 57.005 56.100 0.084 0.000 0.984 1306 R CB 0.443 30.791 30.300 0.080 0.000 0.884 1306 R HN 0.645 nan 8.270 nan 0.000 0.447 1307 E N 0.494 120.731 120.200 0.061 0.000 2.176 1307 E HA 0.306 4.655 4.350 -0.002 0.000 0.267 1307 E C -1.530 175.103 176.600 0.054 0.000 0.893 1307 E CA -0.632 55.797 56.400 0.049 0.000 0.761 1307 E CB 2.727 32.452 29.700 0.042 0.000 1.133 1307 E HN -0.088 nan 8.360 nan 0.000 0.409 1308 V N 1.916 121.865 119.914 0.059 0.000 2.680 1308 V HA 0.272 4.391 4.120 -0.002 0.000 0.309 1308 V C 0.207 176.355 176.094 0.089 0.000 1.052 1308 V CA -1.026 61.322 62.300 0.079 0.000 0.908 1308 V CB 2.067 33.962 31.823 0.119 0.000 1.001 1308 V HN 0.859 nan 8.190 nan 0.000 0.431 1309 T N 1.929 116.537 114.554 0.090 0.000 2.867 1309 T HA 0.537 4.886 4.350 -0.002 0.000 0.297 1309 T C 0.221 175.023 174.700 0.170 0.000 0.989 1309 T CA 0.089 62.245 62.100 0.094 0.000 1.159 1309 T CB 0.775 69.682 68.868 0.066 0.000 0.928 1309 T HN 1.140 nan 8.240 nan 0.000 0.538 1310 A N 5.813 128.695 122.820 0.104 0.000 2.332 1310 A HA 0.634 4.952 4.320 -0.002 0.000 0.258 1310 A C -1.565 176.081 177.584 0.103 0.000 1.087 1310 A CA -1.642 50.433 52.037 0.063 0.000 0.802 1310 A CB -0.276 18.712 19.000 -0.021 0.000 1.042 1310 A HN 0.846 nan 8.150 nan 0.000 0.489 1311 P HA 0.113 nan 4.420 nan 0.000 0.274 1311 P C -0.852 176.459 177.300 0.018 0.000 1.237 1311 P CA -0.178 62.961 63.100 0.064 0.000 0.793 1311 P CB 0.564 32.201 31.700 -0.104 0.000 0.977 1312 D N 1.532 121.959 120.400 0.044 0.000 2.545 1312 D HA 0.248 4.887 4.640 -0.002 0.000 0.227 1312 D C -0.590 175.713 176.300 0.006 0.000 1.150 1312 D CA 0.258 54.273 54.000 0.025 0.000 1.046 1312 D CB -1.118 39.704 40.800 0.037 0.000 1.098 1312 D HN 0.209 nan 8.370 nan 0.000 0.502 1313 L N 2.552 123.763 121.223 -0.019 0.000 2.393 1313 L HA 0.544 4.882 4.340 -0.002 0.000 0.260 1313 L C -1.972 174.878 176.870 -0.034 0.000 1.002 1313 L CA -2.101 52.722 54.840 -0.029 0.000 0.818 1313 L CB 2.145 44.172 42.059 -0.053 0.000 1.369 1313 L HN 0.128 nan 8.230 nan 0.000 0.412 1314 P HA 0.038 nan 4.420 nan 0.000 0.268 1314 P C -0.730 176.547 177.300 -0.038 0.000 1.204 1314 P CA -0.183 62.900 63.100 -0.028 0.000 0.768 1314 P CB 0.852 32.540 31.700 -0.019 0.000 0.842 1315 E N 1.639 121.813 120.200 -0.044 0.000 2.414 1315 E HA -0.067 4.281 4.350 -0.002 0.000 0.263 1315 E C -0.603 175.927 176.600 -0.116 0.000 1.000 1315 E CA 0.031 56.397 56.400 -0.056 0.000 0.914 1315 E CB 0.138 29.809 29.700 -0.049 0.000 0.948 1315 E HN 0.506 nan 8.360 nan 0.000 0.444 1316 H N 5.312 124.195 119.070 -0.312 0.000 2.488 1316 H HA 0.309 4.864 4.556 -0.002 0.000 0.237 1316 H C -2.480 172.335 175.328 -0.854 0.000 1.395 1316 H CA -1.987 53.767 56.048 -0.489 0.000 1.491 1316 H CB 0.484 29.981 29.762 -0.441 0.000 1.567 1316 H HN 0.387 nan 8.280 nan 0.000 0.508 1317 P HA 0.120 nan 4.420 nan 0.000 0.274 1317 P C -0.816 175.958 177.300 -0.876 0.000 1.246 1317 P CA -0.119 62.314 63.100 -1.111 0.000 0.795 1317 P CB 1.432 32.577 31.700 -0.925 0.000 1.006 1318 F N -1.332 118.516 119.950 -0.171 0.000 2.575 1318 F HA 0.350 4.875 4.527 -0.002 0.000 0.330 1318 F C 1.161 176.944 175.800 -0.028 0.000 1.056 1318 F CA -1.091 56.874 58.000 -0.057 0.000 0.964 1318 F CB 0.843 39.874 39.000 0.051 0.000 1.258 1318 F HN 0.303 nan 8.300 nan 0.000 0.484 1319 E N 1.906 122.237 120.200 0.219 0.000 2.384 1319 E HA 0.064 4.413 4.350 -0.002 0.000 0.266 1319 E C -0.664 176.028 176.600 0.153 0.000 1.012 1319 E CA -0.351 56.127 56.400 0.131 0.000 0.901 1319 E CB 0.575 30.344 29.700 0.115 0.000 0.967 1319 E HN 0.432 nan 8.360 nan 0.000 0.435 1320 K N 3.568 124.035 120.400 0.111 0.000 2.382 1320 K HA -0.007 4.311 4.320 -0.002 0.000 0.275 1320 K C 0.192 176.858 176.600 0.110 0.000 1.009 1320 K CA -0.281 56.074 56.287 0.114 0.000 0.970 1320 K CB 0.475 33.023 32.500 0.079 0.000 0.934 1320 K HN 0.526 nan 8.250 nan 0.000 0.479 1321 E N 3.583 123.859 120.200 0.126 0.000 2.392 1321 E HA 0.132 4.481 4.350 -0.002 0.000 0.264 1321 E C -2.336 174.291 176.600 0.045 0.000 1.024 1321 E CA -1.755 54.714 56.400 0.114 0.000 0.903 1321 E CB -0.321 29.466 29.700 0.146 0.000 0.963 1321 E HN 0.233 nan 8.360 nan 0.000 0.432 1322 P HA 0.033 nan 4.420 nan 0.000 0.269 1322 P C 0.421 177.695 177.300 -0.044 0.000 1.209 1322 P CA -0.098 62.980 63.100 -0.035 0.000 0.776 1322 P CB 0.570 32.230 31.700 -0.067 0.000 0.876 1323 E N 1.626 121.812 120.200 -0.023 0.000 2.230 1323 E HA -0.023 4.326 4.350 -0.002 0.000 0.192 1323 E C 0.131 176.742 176.600 0.018 0.000 0.987 1323 E CA 0.348 56.746 56.400 -0.003 0.000 0.841 1323 E CB 0.147 29.832 29.700 -0.024 0.000 0.783 1323 E HN 0.194 nan 8.360 nan 0.000 0.481 1324 L N 1.516 122.729 121.223 -0.018 0.000 2.346 1324 L HA 0.392 4.730 4.340 -0.002 0.000 0.274 1324 L C -1.449 175.386 176.870 -0.058 0.000 1.007 1324 L CA -0.377 54.459 54.840 -0.006 0.000 0.818 1324 L CB 1.817 43.840 42.059 -0.059 0.000 1.284 1324 L HN -0.061 nan 8.230 nan 0.000 0.424 1325 D N 2.479 122.848 120.400 -0.053 0.000 2.440 1325 D HA 0.162 4.801 4.640 -0.002 0.000 0.239 1325 D C -0.098 175.968 176.300 -0.390 0.000 1.084 1325 D CA -0.133 53.736 54.000 -0.219 0.000 0.843 1325 D CB 1.515 42.203 40.800 -0.187 0.000 1.097 1325 D HN 0.579 nan 8.370 nan 0.000 0.531 1326 D N 2.558 122.822 120.400 -0.227 0.000 2.339 1326 D HA 0.012 4.651 4.640 -0.002 0.000 0.217 1326 D C 0.146 176.440 176.300 -0.009 0.000 1.050 1326 D CA -0.137 53.799 54.000 -0.108 0.000 0.856 1326 D CB -0.280 40.501 40.800 -0.032 0.000 0.922 1326 D HN 0.328 nan 8.370 nan 0.000 0.518 1327 F N -0.063 119.964 119.950 0.128 0.000 3.074 1327 F HA -0.237 4.289 4.527 -0.002 0.000 0.287 1327 F C 1.001 176.844 175.800 0.072 0.000 0.932 1327 F CA 0.340 58.398 58.000 0.097 0.000 0.995 1327 F CB -1.889 37.157 39.000 0.077 0.000 0.966 1327 F HN 0.160 nan 8.300 nan 0.000 0.721 1328 D N -0.413 120.103 120.400 0.193 0.000 2.327 1328 D HA 0.260 4.898 4.640 -0.002 0.000 0.205 1328 D C 1.509 177.889 176.300 0.134 0.000 0.989 1328 D CA 0.970 55.054 54.000 0.141 0.000 0.873 1328 D CB 0.186 41.041 40.800 0.093 0.000 0.955 1328 D HN 0.416 nan 8.370 nan 0.000 0.515 1329 A N 2.234 125.143 122.820 0.150 0.000 2.371 1329 A HA 0.298 4.616 4.320 -0.002 0.000 0.257 1329 A C -1.258 176.403 177.584 0.127 0.000 1.089 1329 A CA -0.949 51.167 52.037 0.131 0.000 0.794 1329 A CB 0.685 19.771 19.000 0.143 0.000 1.029 1329 A HN -0.088 nan 8.150 nan 0.000 0.488 1330 P HA -0.056 nan 4.420 nan 0.000 0.226 1330 P C -0.011 177.328 177.300 0.064 0.000 1.153 1330 P CA 1.038 64.179 63.100 0.069 0.000 0.777 1330 P CB 0.332 32.064 31.700 0.053 0.000 0.794 1331 Q N -0.417 119.435 119.800 0.088 0.000 2.309 1331 Q HA 0.443 4.782 4.340 -0.002 0.000 0.264 1331 Q C -0.240 175.844 176.000 0.140 0.000 1.008 1331 Q CA -0.709 55.147 55.803 0.088 0.000 0.853 1331 Q CB 1.469 30.258 28.738 0.084 0.000 1.314 1331 Q HN 0.034 nan 8.270 nan 0.000 0.448 1332 L N 2.255 123.560 121.223 0.136 0.000 2.490 1332 L HA 0.072 4.410 4.340 -0.002 0.000 0.274 1332 L C 0.392 177.438 176.870 0.292 0.000 1.201 1332 L CA -0.119 54.867 54.840 0.243 0.000 0.869 1332 L CB 0.168 42.341 42.059 0.190 0.000 1.123 1332 L HN 0.711 nan 8.230 nan 0.000 0.484 1333 H N 1.506 120.771 119.070 0.325 0.000 2.948 1333 H HA -0.085 4.469 4.556 -0.003 0.000 0.351 1333 H C 1.157 176.423 175.328 -0.104 0.000 1.079 1333 H CA 0.347 56.423 56.048 0.046 0.000 1.407 1333 H CB 0.642 30.360 29.762 -0.074 0.000 1.373 1333 H HN 0.622 nan 8.280 nan 0.000 0.605 1334 H N 1.265 119.906 119.070 -0.715 0.000 2.518 1334 H HA -0.090 4.464 4.556 -0.003 0.000 0.289 1334 H C 1.225 176.109 175.328 -0.741 0.000 1.051 1334 H CA 1.403 57.035 56.048 -0.693 0.000 1.280 1334 H CB 0.066 29.300 29.762 -0.879 0.000 1.380 1334 H HN 0.583 nan 8.280 nan 0.000 0.566 1335 Q N -0.029 119.292 119.800 -0.799 0.000 2.378 1335 Q HA -0.036 4.302 4.340 -0.002 0.000 0.205 1335 Q C -0.169 175.542 176.000 -0.483 0.000 0.954 1335 Q CA 0.278 55.745 55.803 -0.560 0.000 0.901 1335 Q CB -0.051 28.348 28.738 -0.565 0.000 0.981 1335 Q HN 0.611 nan 8.270 nan 0.000 0.483 1336 W N 2.078 123.319 121.300 -0.099 0.000 2.272 1336 W HA 0.176 4.834 4.660 -0.002 0.000 0.318 1336 W C 0.381 176.914 176.519 0.023 0.000 1.255 1336 W CA -0.669 56.652 57.345 -0.041 0.000 1.200 1336 W CB 0.576 30.032 29.460 -0.007 0.000 1.170 1336 W HN -0.107 nan 8.180 nan 0.000 0.549 1337 N N 0.597 119.538 118.700 0.402 0.000 2.321 1337 N HA 0.493 5.231 4.740 -0.002 0.000 0.290 1337 N C -0.577 175.209 175.510 0.460 0.000 1.212 1337 N CA -0.713 52.581 53.050 0.407 0.000 0.767 1337 N CB 1.870 40.636 38.487 0.464 0.000 1.494 1337 N HN 0.323 nan 8.380 nan 0.000 0.479 1338 T N -2.315 112.512 114.554 0.455 0.000 2.926 1338 T HA 0.632 4.981 4.350 -0.002 0.000 0.289 1338 T C -0.254 174.555 174.700 0.183 0.000 1.054 1338 T CA -0.805 61.492 62.100 0.329 0.000 1.015 1338 T CB 0.829 69.892 68.868 0.327 0.000 1.167 1338 T HN 0.215 nan 8.240 nan 0.000 0.526 1339 L N 2.416 123.559 121.223 -0.132 0.000 2.260 1339 L HA 0.450 4.789 4.340 -0.002 0.000 0.289 1339 L C 1.296 178.020 176.870 -0.243 0.000 1.057 1339 L CA -0.541 54.043 54.840 -0.427 0.000 0.811 1339 L CB 0.391 42.074 42.059 -0.626 0.000 1.184 1339 L HN 0.859 nan 8.230 nan 0.000 0.429 1340 R N 1.331 121.739 120.500 -0.153 0.000 2.299 1340 R HA -0.274 4.065 4.340 -0.002 0.000 0.153 1340 R C 0.336 176.552 176.300 -0.140 0.000 0.885 1340 R CA 2.204 58.255 56.100 -0.081 0.000 1.883 1340 R CB -1.457 28.744 30.300 -0.166 0.000 0.864 1340 R HN 0.697 nan 8.270 nan 0.000 0.666 1341 I N -0.005 120.421 120.570 -0.240 0.000 2.607 1341 I HA 0.593 4.761 4.170 -0.002 0.000 0.305 1341 I C -2.393 173.399 176.117 -0.542 0.000 0.995 1341 I CA -2.775 58.280 61.300 -0.408 0.000 1.148 1341 I CB 1.803 39.692 38.000 -0.186 0.000 1.323 1341 I HN -0.191 nan 8.210 nan 0.000 0.461 1342 P HA 0.148 nan 4.420 nan 0.000 0.274 1342 P C -0.438 176.823 177.300 -0.064 0.000 1.231 1342 P CA -0.169 62.631 63.100 -0.500 0.000 0.790 1342 P CB 0.962 32.418 31.700 -0.406 0.000 0.951 1343 A N 2.062 124.832 122.820 -0.082 0.000 2.462 1343 A HA 0.214 4.533 4.320 -0.002 0.000 0.243 1343 A C 0.088 177.370 177.584 -0.505 0.000 1.076 1343 A CA 0.352 52.101 52.037 -0.479 0.000 0.773 1343 A CB -0.610 18.122 19.000 -0.447 0.000 1.010 1343 A HN 0.629 nan 8.150 nan 0.000 0.493 1344 D N 1.275 121.125 120.400 -0.917 0.000 2.738 1344 D HA 0.539 5.178 4.640 -0.002 0.000 0.237 1344 D C -2.174 173.771 176.300 -0.593 0.000 1.123 1344 D CA -1.642 52.046 54.000 -0.520 0.000 0.856 1344 D CB 1.957 42.639 40.800 -0.197 0.000 1.552 1344 D HN 0.106 nan 8.370 nan 0.000 0.480 1345 P HA -0.189 nan 4.420 nan 0.000 0.218 1345 P C 1.092 178.289 177.300 -0.172 0.000 1.146 1345 P CA 1.258 64.224 63.100 -0.224 0.000 0.820 1345 P CB 0.064 31.688 31.700 -0.126 0.000 0.778 1346 S N -1.643 113.987 115.700 -0.116 0.000 2.442 1346 S HA -0.141 4.328 4.470 -0.002 0.000 0.236 1346 S C 1.482 176.146 174.600 0.107 0.000 1.007 1346 S CA 0.967 59.175 58.200 0.014 0.000 0.965 1346 S CB -1.255 62.002 63.200 0.095 0.000 0.773 1346 S HN 0.494 nan 8.310 nan 0.000 0.504 1347 W N -0.919 120.348 121.300 -0.054 0.000 2.121 1347 W HA 0.558 5.217 4.660 -0.002 0.000 0.275 1347 W C -0.278 176.198 176.519 -0.071 0.000 0.903 1347 W CA -0.499 56.810 57.345 -0.060 0.000 1.253 1347 W CB -0.226 29.194 29.460 -0.067 0.000 1.016 1347 W HN 0.321 nan 8.180 nan 0.000 0.537 1348 C N 3.202 122.195 119.300 -0.511 0.000 2.660 1348 C HA 0.696 5.154 4.460 -0.002 0.000 0.336 1348 C C -0.543 174.223 174.990 -0.375 0.000 1.058 1348 C CA -0.068 58.641 59.018 -0.515 0.000 1.368 1348 C CB 0.380 27.515 27.740 -1.008 0.000 1.884 1348 C HN 0.191 nan 8.230 nan 0.000 0.454 1349 S N 4.429 119.995 115.700 -0.224 0.000 2.538 1349 S HA 0.693 5.162 4.470 -0.002 0.000 0.288 1349 S C -0.032 174.495 174.600 -0.121 0.000 1.108 1349 S CA -0.546 57.559 58.200 -0.160 0.000 0.971 1349 S CB 1.340 64.476 63.200 -0.107 0.000 1.041 1349 S HN 0.794 nan 8.310 nan 0.000 0.483 1350 L N 3.545 124.716 121.223 -0.086 0.000 2.693 1350 L HA 0.432 4.771 4.340 -0.002 0.000 0.235 1350 L C 1.591 178.470 176.870 0.014 0.000 1.127 1350 L CA 0.218 55.039 54.840 -0.031 0.000 0.914 1350 L CB 0.183 42.239 42.059 -0.005 0.000 1.193 1350 L HN 0.676 nan 8.230 nan 0.000 0.502 1351 E N -0.333 119.863 120.200 -0.006 0.000 2.447 1351 E HA -0.066 4.282 4.350 -0.002 0.000 0.204 1351 E C 1.369 177.972 176.600 0.005 0.000 0.977 1351 E CA -0.026 56.379 56.400 0.009 0.000 0.950 1351 E CB 0.600 30.300 29.700 0.000 0.000 0.975 1351 E HN 0.345 nan 8.360 nan 0.000 0.496 1352 E N 1.483 121.677 120.200 -0.010 0.000 2.106 1352 E HA -0.100 4.249 4.350 -0.002 0.000 0.192 1352 E C 0.911 177.506 176.600 -0.009 0.000 0.984 1352 E CA 0.703 57.095 56.400 -0.014 0.000 0.806 1352 E CB 0.383 30.068 29.700 -0.025 0.000 0.750 1352 E HN -0.115 nan 8.360 nan 0.000 0.458 1353 R N 0.648 121.151 120.500 0.006 0.000 2.721 1353 R HA 0.257 4.595 4.340 -0.002 0.000 0.272 1353 R C -2.801 173.568 176.300 0.116 0.000 1.721 1353 R CA -2.024 54.079 56.100 0.005 0.000 1.325 1353 R CB 1.199 31.446 30.300 -0.088 0.000 1.271 1353 R HN -0.097 nan 8.270 nan 0.000 0.556 1354 P HA -0.022 nan 4.420 nan 0.000 0.264 1354 P C 0.545 178.025 177.300 0.299 0.000 1.173 1354 P CA 1.641 64.841 63.100 0.166 0.000 0.761 1354 P CB 0.710 32.479 31.700 0.115 0.000 0.794 1355 G N 0.803 109.744 108.800 0.234 0.000 2.179 1355 G HA2 -0.208 3.750 3.960 -0.002 0.000 0.260 1355 G HA3 -0.208 3.750 3.960 -0.002 0.000 0.260 1355 G C -0.166 174.737 174.900 0.006 0.000 0.977 1355 G CA 0.005 45.197 45.100 0.153 0.000 0.641 1355 G HN 0.713 nan 8.290 nan 0.000 0.533 1356 H N -1.679 117.498 119.070 0.177 0.000 2.851 1356 H HA 0.631 5.186 4.556 -0.002 0.000 0.372 1356 H C -0.579 174.728 175.328 -0.036 0.000 1.158 1356 H CA -0.853 55.285 56.048 0.149 0.000 1.159 1356 H CB 1.686 31.501 29.762 0.088 0.000 1.757 1356 H HN 0.296 nan 8.280 nan 0.000 0.546 1357 L N 2.282 123.396 121.223 -0.182 0.000 2.261 1357 L HA 0.387 4.726 4.340 -0.002 0.000 0.289 1357 L C -0.022 176.773 176.870 -0.124 0.000 1.059 1357 L CA -0.241 54.315 54.840 -0.474 0.000 0.816 1357 L CB 0.227 41.509 42.059 -1.294 0.000 1.191 1357 L HN 0.604 nan 8.230 nan 0.000 0.431 1358 R N 5.852 126.307 120.500 -0.076 0.000 2.207 1358 R HA 0.590 4.928 4.340 -0.002 0.000 0.334 1358 R C -1.574 174.724 176.300 -0.003 0.000 1.013 1358 R CA -0.469 55.630 56.100 -0.003 0.000 0.858 1358 R CB 0.504 30.797 30.300 -0.012 0.000 1.094 1358 R HN 0.757 nan 8.270 nan 0.000 0.457 1359 L N 5.009 126.285 121.223 0.087 0.000 2.322 1359 L HA 0.560 4.899 4.340 -0.002 0.000 0.281 1359 L C 0.108 177.060 176.870 0.137 0.000 1.014 1359 L CA -0.958 53.958 54.840 0.126 0.000 0.815 1359 L CB 2.005 44.163 42.059 0.166 0.000 1.247 1359 L HN 0.571 nan 8.230 nan 0.000 0.421 1360 R N 1.338 121.940 120.500 0.169 0.000 2.294 1360 R HA 0.380 4.719 4.340 -0.002 0.000 0.319 1360 R C 0.168 176.528 176.300 0.100 0.000 0.984 1360 R CA -0.655 55.519 56.100 0.124 0.000 0.861 1360 R CB 1.761 32.131 30.300 0.116 0.000 1.104 1360 R HN 0.814 nan 8.270 nan 0.000 0.451 1361 G N 3.412 112.248 108.800 0.059 0.000 2.305 1361 G HA2 0.053 4.011 3.960 -0.002 0.000 0.243 1361 G HA3 0.053 4.011 3.960 -0.002 0.000 0.243 1361 G C 0.090 174.970 174.900 -0.034 0.000 1.288 1361 G CA 0.136 45.248 45.100 0.018 0.000 0.901 1361 G HN 0.484 nan 8.290 nan 0.000 0.516 1362 M N 0.845 120.383 119.600 -0.102 0.000 2.324 1362 M HA 0.322 4.801 4.480 -0.002 0.000 0.231 1362 M C 0.385 176.605 176.300 -0.133 0.000 1.206 1362 M CA -0.593 54.615 55.300 -0.154 0.000 1.788 1362 M CB 0.382 32.802 32.600 -0.300 0.000 1.289 1362 M HN 0.439 nan 8.290 nan 0.000 0.890 1363 E N 1.332 121.428 120.200 -0.173 0.000 2.392 1363 E HA 0.164 4.513 4.350 -0.002 0.000 0.256 1363 E C -0.231 176.295 176.600 -0.123 0.000 1.145 1363 E CA -0.325 55.997 56.400 -0.130 0.000 0.929 1363 E CB 0.657 30.279 29.700 -0.130 0.000 0.998 1363 E HN 0.481 nan 8.360 nan 0.000 0.442 1364 S N 0.568 116.219 115.700 -0.080 0.000 2.587 1364 S HA 0.004 4.473 4.470 -0.002 0.000 0.260 1364 S C 1.019 175.554 174.600 -0.109 0.000 1.353 1364 S CA -0.425 57.735 58.200 -0.067 0.000 0.995 1364 S CB 0.306 63.498 63.200 -0.013 0.000 0.912 1364 S HN 0.512 nan 8.310 nan 0.000 0.568 1365 L N 0.820 121.965 121.223 -0.130 0.000 2.622 1365 L HA 0.011 4.350 4.340 -0.002 0.000 0.233 1365 L C 2.244 179.117 176.870 0.005 0.000 1.156 1365 L CA 1.090 55.814 54.840 -0.193 0.000 0.866 1365 L CB -0.969 40.801 42.059 -0.482 0.000 0.980 1365 L HN 1.014 nan 8.230 nan 0.000 0.448 1366 T N -5.701 108.888 114.554 0.058 0.000 3.069 1366 T HA 0.077 4.426 4.350 -0.002 0.000 0.252 1366 T C 0.750 175.483 174.700 0.056 0.000 1.053 1366 T CA -0.234 61.933 62.100 0.111 0.000 0.964 1366 T CB 0.280 69.222 68.868 0.122 0.000 1.005 1366 T HN 0.070 nan 8.240 nan 0.000 0.532 1367 S N 0.241 115.946 115.700 0.009 0.000 2.525 1367 S HA 0.451 4.919 4.470 -0.002 0.000 0.278 1367 S C 0.641 175.232 174.600 -0.016 0.000 1.234 1367 S CA -0.674 57.532 58.200 0.010 0.000 1.058 1367 S CB 1.249 64.437 63.200 -0.020 0.000 0.983 1367 S HN 0.157 nan 8.310 nan 0.000 0.495 1368 V N 5.101 125.025 119.914 0.016 0.000 3.342 1368 V HA 0.184 4.303 4.120 -0.002 0.000 0.322 1368 V C 0.469 176.396 176.094 -0.278 0.000 1.370 1368 V CA 0.476 62.708 62.300 -0.113 0.000 1.170 1368 V CB -1.189 30.569 31.823 -0.108 0.000 1.101 1368 V HN 0.869 nan 8.190 nan 0.000 0.442 1369 H N -0.573 118.420 119.070 -0.128 0.000 2.917 1369 H HA 0.352 4.907 4.556 -0.002 0.000 0.247 1369 H C 0.729 175.935 175.328 -0.204 0.000 1.237 1369 H CA 0.666 56.629 56.048 -0.141 0.000 1.711 1369 H CB 0.321 30.012 29.762 -0.118 0.000 1.466 1369 H HN 0.279 nan 8.280 nan 0.000 0.560 1370 S N 1.536 117.179 115.700 -0.096 0.000 2.622 1370 S HA 0.342 4.810 4.470 -0.002 0.000 0.283 1370 S C -0.844 173.517 174.600 -0.399 0.000 1.197 1370 S CA -0.701 57.322 58.200 -0.294 0.000 1.146 1370 S CB 1.082 64.109 63.200 -0.289 0.000 1.007 1370 S HN 0.249 nan 8.310 nan 0.000 0.478 1371 Q N 1.276 120.792 119.800 -0.473 0.000 2.282 1371 Q HA 0.398 4.737 4.340 -0.002 0.000 0.260 1371 Q C -0.576 175.026 176.000 -0.664 0.000 0.964 1371 Q CA -0.528 54.991 55.803 -0.473 0.000 0.880 1371 Q CB 1.669 30.166 28.738 -0.403 0.000 1.286 1371 Q HN 0.439 nan 8.270 nan 0.000 0.445 1372 S N 3.102 118.477 115.700 -0.543 0.000 3.869 1372 S HA 0.289 4.758 4.470 -0.002 0.000 0.241 1372 S C -0.574 173.921 174.600 -0.175 0.000 1.363 1372 S CA -0.245 57.710 58.200 -0.409 0.000 0.894 1372 S CB -0.418 62.706 63.200 -0.127 0.000 1.519 1372 S HN 0.395 nan 8.310 nan 0.000 0.470 1373 L N 3.249 124.372 121.223 -0.168 0.000 2.410 1373 L HA 0.705 5.044 4.340 -0.002 0.000 0.270 1373 L C -1.463 175.388 176.870 -0.032 0.000 0.983 1373 L CA -0.579 54.162 54.840 -0.165 0.000 0.822 1373 L CB 1.554 43.412 42.059 -0.336 0.000 1.285 1373 L HN 0.174 nan 8.230 nan 0.000 0.409 1374 V N 4.583 124.436 119.914 -0.102 0.000 2.443 1374 V HA 0.921 5.039 4.120 -0.002 0.000 0.293 1374 V C -0.201 175.857 176.094 -0.060 0.000 1.021 1374 V CA -0.061 62.189 62.300 -0.084 0.000 0.848 1374 V CB 1.237 32.853 31.823 -0.345 0.000 0.998 1374 V HN 0.923 nan 8.190 nan 0.000 0.424 1375 A N 5.332 128.310 122.820 0.264 0.000 2.593 1375 A HA 1.060 5.379 4.320 -0.002 0.000 0.290 1375 A C -0.804 177.034 177.584 0.423 0.000 1.126 1375 A CA -0.937 51.322 52.037 0.369 0.000 0.695 1375 A CB 2.268 21.435 19.000 0.279 0.000 1.290 1375 A HN 0.990 nan 8.150 nan 0.000 0.414 1376 R N -0.166 120.392 120.500 0.097 0.000 2.888 1376 R HA 0.764 5.103 4.340 -0.002 0.000 0.266 1376 R C -0.887 174.980 176.300 -0.722 0.000 1.020 1376 R CA -0.867 55.014 56.100 -0.364 0.000 0.963 1376 R CB 0.901 30.722 30.300 -0.798 0.000 1.197 1376 R HN 0.600 nan 8.270 nan 0.000 0.481 1377 R N 1.057 120.938 120.500 -1.032 0.000 2.537 1377 R HA 0.037 4.376 4.340 -0.002 0.000 0.280 1377 R C -0.341 175.535 176.300 -0.707 0.000 1.058 1377 R CA -0.282 55.115 56.100 -1.172 0.000 1.057 1377 R CB 0.599 30.366 30.300 -0.890 0.000 0.973 1377 R HN 0.586 nan 8.270 nan 0.000 0.438 1378 Q N 2.399 121.904 119.800 -0.493 0.000 2.288 1378 Q HA -0.017 4.321 4.340 -0.002 0.000 0.258 1378 Q C -0.279 175.624 176.000 -0.163 0.000 0.957 1378 Q CA 0.242 55.919 55.803 -0.209 0.000 0.919 1378 Q CB 0.833 29.539 28.738 -0.055 0.000 1.185 1378 Q HN 0.576 nan 8.270 nan 0.000 0.408 1379 Q N 1.841 121.632 119.800 -0.016 0.000 2.135 1379 Q HA 0.240 4.579 4.340 -0.002 0.000 0.222 1379 Q C -0.837 175.143 176.000 -0.032 0.000 0.808 1379 Q CA -0.161 55.625 55.803 -0.028 0.000 1.049 1379 Q CB 1.454 30.198 28.738 0.009 0.000 1.168 1379 Q HN 0.486 nan 8.270 nan 0.000 0.483 1380 S N -1.208 114.467 115.700 -0.042 0.000 2.547 1380 S HA 0.397 4.866 4.470 -0.002 0.000 0.270 1380 S C -0.609 173.926 174.600 -0.108 0.000 1.150 1380 S CA -0.604 57.548 58.200 -0.080 0.000 0.850 1380 S CB 0.538 63.772 63.200 0.056 0.000 1.118 1380 S HN 0.249 nan 8.310 nan 0.000 0.461 1381 F N 1.287 121.260 119.950 0.038 0.000 2.558 1381 F HA 0.175 4.701 4.527 -0.002 0.000 0.298 1381 F C 0.673 176.277 175.800 -0.326 0.000 1.119 1381 F CA 0.445 58.366 58.000 -0.132 0.000 1.451 1381 F CB 0.174 39.053 39.000 -0.200 0.000 1.091 1381 F HN 0.542 nan 8.300 nan 0.000 0.563 1382 H N -0.797 118.396 119.070 0.204 0.000 2.762 1382 H HA 0.471 5.026 4.556 -0.002 0.000 0.310 1382 H C -0.470 174.839 175.328 -0.031 0.000 1.004 1382 H CA -1.318 54.791 56.048 0.102 0.000 1.267 1382 H CB 0.943 30.831 29.762 0.211 0.000 1.437 1382 H HN 0.097 nan 8.280 nan 0.000 0.498 1383 C N 1.175 120.446 119.300 -0.049 0.000 3.318 1383 C HA 0.760 5.218 4.460 -0.002 0.000 0.322 1383 C C -0.860 174.047 174.990 -0.137 0.000 1.398 1383 C CA -0.986 57.958 59.018 -0.122 0.000 1.339 1383 C CB 1.895 29.569 27.740 -0.110 0.000 1.668 1383 C HN 0.870 nan 8.230 nan 0.000 0.462 1384 E N 0.578 120.679 120.200 -0.164 0.000 2.248 1384 E HA 0.752 5.101 4.350 -0.002 0.000 0.267 1384 E C -1.771 174.793 176.600 -0.059 0.000 0.877 1384 E CA -0.493 55.838 56.400 -0.115 0.000 0.759 1384 E CB 2.282 31.890 29.700 -0.153 0.000 1.182 1384 E HN 0.695 nan 8.360 nan 0.000 0.418 1385 V N 3.596 123.508 119.914 -0.003 0.000 2.709 1385 V HA 0.493 4.612 4.120 -0.002 0.000 0.308 1385 V C -0.793 175.224 176.094 -0.128 0.000 1.062 1385 V CA -0.545 61.754 62.300 -0.002 0.000 0.901 1385 V CB 1.927 33.875 31.823 0.209 0.000 1.003 1385 V HN 0.778 nan 8.190 nan 0.000 0.425 1386 E N 2.293 122.299 120.200 -0.323 0.000 2.352 1386 E HA 0.663 5.011 4.350 -0.002 0.000 0.280 1386 E C -1.661 174.773 176.600 -0.277 0.000 0.930 1386 E CA -0.362 55.954 56.400 -0.141 0.000 0.765 1386 E CB 2.691 32.433 29.700 0.071 0.000 1.219 1386 E HN 0.658 nan 8.360 nan 0.000 0.434 1387 T N 1.942 116.449 114.554 -0.077 0.000 2.868 1387 T HA 0.412 4.761 4.350 -0.002 0.000 0.306 1387 T C -1.822 172.760 174.700 -0.196 0.000 1.224 1387 T CA -0.730 61.266 62.100 -0.174 0.000 1.012 1387 T CB 1.552 70.535 68.868 0.192 0.000 1.221 1387 T HN 0.400 nan 8.240 nan 0.000 0.499 1388 K N 3.153 123.251 120.400 -0.505 0.000 2.358 1388 K HA 0.682 5.001 4.320 -0.002 0.000 0.260 1388 K C -1.585 174.844 176.600 -0.285 0.000 0.956 1388 K CA -0.802 55.185 56.287 -0.501 0.000 0.834 1388 K CB 1.220 33.329 32.500 -0.650 0.000 1.102 1388 K HN 0.434 nan 8.250 nan 0.000 0.431 1389 L N 3.080 124.137 121.223 -0.276 0.000 2.365 1389 L HA 0.458 4.796 4.340 -0.002 0.000 0.273 1389 L C -1.357 175.379 176.870 -0.223 0.000 1.000 1389 L CA -0.004 54.635 54.840 -0.336 0.000 0.819 1389 L CB 1.921 43.746 42.059 -0.391 0.000 1.284 1389 L HN 0.657 nan 8.230 nan 0.000 0.418 1390 E N 4.953 125.033 120.200 -0.201 0.000 2.182 1390 E HA 0.326 4.674 4.350 -0.002 0.000 0.258 1390 E C -1.918 174.684 176.600 0.002 0.000 0.879 1390 E CA -0.341 56.015 56.400 -0.074 0.000 0.754 1390 E CB 1.826 31.496 29.700 -0.049 0.000 1.162 1390 E HN 0.613 nan 8.360 nan 0.000 0.419 1391 Y N 1.462 121.689 120.300 -0.122 0.000 2.504 1391 Y HA 0.209 4.757 4.550 -0.002 0.000 0.344 1391 Y C -1.064 174.817 175.900 -0.032 0.000 1.023 1391 Y CA -0.707 57.338 58.100 -0.092 0.000 1.020 1391 Y CB 1.908 40.316 38.460 -0.087 0.000 1.282 1391 Y HN 0.379 nan 8.280 nan 0.000 0.454 1392 Q N 7.028 126.605 119.800 -0.372 0.000 2.965 1392 Q HA 0.270 4.608 4.340 -0.002 0.000 0.288 1392 Q C -2.698 173.025 176.000 -0.461 0.000 0.974 1392 Q CA -2.140 53.485 55.803 -0.297 0.000 0.849 1392 Q CB 1.228 29.865 28.738 -0.169 0.000 1.280 1392 Q HN 0.347 nan 8.270 nan 0.000 0.441 1393 P HA -0.020 nan 4.420 nan 0.000 0.268 1393 P C -0.349 176.915 177.300 -0.060 0.000 1.205 1393 P CA 0.237 63.194 63.100 -0.238 0.000 0.771 1393 P CB 1.169 32.885 31.700 0.027 0.000 0.858 1394 E N -0.146 120.031 120.200 -0.037 0.000 2.572 1394 E HA 0.141 4.489 4.350 -0.002 0.000 0.220 1394 E C 0.444 176.353 176.600 -1.151 0.000 0.945 1394 E CA -0.096 55.949 56.400 -0.592 0.000 1.070 1394 E CB 0.782 30.287 29.700 -0.325 0.000 1.090 1394 E HN 0.411 nan 8.360 nan 0.000 0.506 1395 S N -0.517 114.708 115.700 -0.792 0.000 2.607 1395 S HA 0.235 4.703 4.470 -0.002 0.000 0.273 1395 S C -0.046 174.475 174.600 -0.132 0.000 1.148 1395 S CA -0.792 56.997 58.200 -0.684 0.000 0.833 1395 S CB 0.547 63.130 63.200 -1.028 0.000 1.130 1395 S HN 0.193 nan 8.310 nan 0.000 0.470 1396 F N 1.334 121.405 119.950 0.203 0.000 2.546 1396 F HA 0.241 4.766 4.527 -0.002 0.000 0.298 1396 F C 1.657 177.539 175.800 0.136 0.000 1.120 1396 F CA 0.638 58.780 58.000 0.238 0.000 1.456 1396 F CB -0.572 38.557 39.000 0.216 0.000 1.088 1396 F HN 0.595 nan 8.300 nan 0.000 0.572 1397 Q N 0.037 119.454 119.800 -0.639 0.000 2.482 1397 Q HA 0.050 4.389 4.340 -0.002 0.000 0.209 1397 Q C -0.443 175.583 176.000 0.044 0.000 0.961 1397 Q CA 0.344 55.938 55.803 -0.347 0.000 0.945 1397 Q CB -0.391 28.026 28.738 -0.534 0.000 1.012 1397 Q HN 0.631 nan 8.270 nan 0.000 0.515 1398 H N 0.031 119.142 119.070 0.069 0.000 2.511 1398 H HA 0.482 5.037 4.556 -0.002 0.000 0.328 1398 H C -0.578 174.990 175.328 0.401 0.000 1.044 1398 H CA -0.499 55.673 56.048 0.207 0.000 1.212 1398 H CB 0.895 30.704 29.762 0.078 0.000 1.428 1398 H HN -0.015 nan 8.280 nan 0.000 0.483 1399 M N 2.279 122.202 119.600 0.538 0.000 2.433 1399 M HA 0.661 5.139 4.480 -0.002 0.000 0.290 1399 M C -1.283 175.111 176.300 0.156 0.000 1.173 1399 M CA -0.749 54.811 55.300 0.433 0.000 0.905 1399 M CB 2.870 35.635 32.600 0.275 0.000 1.692 1399 M HN 0.663 nan 8.290 nan 0.000 0.462 1400 A N 1.417 124.225 122.820 -0.020 0.000 2.547 1400 A HA 1.006 5.325 4.320 -0.002 0.000 0.297 1400 A C -0.649 176.964 177.584 0.048 0.000 1.056 1400 A CA -0.020 51.899 52.037 -0.196 0.000 0.688 1400 A CB 1.877 20.187 19.000 -1.151 0.000 1.282 1400 A HN 1.109 nan 8.150 nan 0.000 0.400 1401 G N -0.489 108.532 108.800 0.368 0.000 2.335 1401 G HA2 0.564 4.522 3.960 -0.002 0.000 0.291 1401 G HA3 0.564 4.522 3.960 -0.002 0.000 0.291 1401 G C -1.990 173.255 174.900 0.575 0.000 1.261 1401 G CA -0.212 45.108 45.100 0.367 0.000 0.871 1401 G HN 1.704 nan 8.290 nan 0.000 0.491 1402 L N 1.331 122.825 121.223 0.452 0.000 2.276 1402 L HA 0.731 5.070 4.340 -0.002 0.000 0.286 1402 L C 0.339 177.525 176.870 0.526 0.000 1.061 1402 L CA -0.760 54.359 54.840 0.467 0.000 0.807 1402 L CB 1.180 43.465 42.059 0.375 0.000 1.177 1402 L HN 1.104 nan 8.230 nan 0.000 0.429 1403 V N 4.068 124.257 119.914 0.458 0.000 2.680 1403 V HA 0.655 4.774 4.120 -0.002 0.000 0.309 1403 V C -0.558 175.762 176.094 0.377 0.000 1.052 1403 V CA -0.700 61.846 62.300 0.410 0.000 0.908 1403 V CB 1.974 33.920 31.823 0.205 0.000 1.001 1403 V HN 0.563 nan 8.190 nan 0.000 0.431 1404 I N 5.330 126.129 120.570 0.381 0.000 2.382 1404 I HA 0.484 4.652 4.170 -0.002 0.000 0.285 1404 I C -0.972 175.387 176.117 0.404 0.000 1.007 1404 I CA -0.447 61.060 61.300 0.345 0.000 1.142 1404 I CB 0.949 39.115 38.000 0.277 0.000 1.289 1404 I HN 0.927 nan 8.210 nan 0.000 0.453 1405 Y N 6.125 126.583 120.300 0.263 0.000 2.391 1405 Y HA 0.311 4.859 4.550 -0.003 0.000 0.341 1405 Y C -0.355 175.726 175.900 0.301 0.000 0.965 1405 Y CA -0.422 57.847 58.100 0.282 0.000 1.067 1405 Y CB 2.285 40.884 38.460 0.233 0.000 1.199 1405 Y HN 0.510 nan 8.280 nan 0.000 0.450 1406 Y N 3.008 123.198 120.300 -0.184 0.000 2.439 1406 Y HA 0.214 4.762 4.550 -0.002 0.000 0.281 1406 Y C -0.192 175.529 175.900 -0.298 0.000 1.145 1406 Y CA 1.190 59.232 58.100 -0.097 0.000 1.252 1406 Y CB 0.602 38.979 38.460 -0.138 0.000 1.271 1406 Y HN 0.742 nan 8.280 nan 0.000 0.516 1407 D N -2.915 117.229 120.400 -0.427 0.000 2.946 1407 D HA 0.085 4.724 4.640 -0.002 0.000 0.337 1407 D C 0.625 176.692 176.300 -0.388 0.000 1.332 1407 D CA 0.337 54.087 54.000 -0.417 0.000 0.935 1407 D CB 0.334 41.148 40.800 0.023 0.000 1.440 1407 D HN 0.062 nan 8.370 nan 0.000 0.540 1408 T N -2.672 111.876 114.554 -0.009 0.000 3.007 1408 T HA -0.061 4.288 4.350 -0.002 0.000 0.270 1408 T C 0.805 175.601 174.700 0.160 0.000 1.107 1408 T CA 1.043 63.241 62.100 0.163 0.000 1.118 1408 T CB -0.201 68.743 68.868 0.127 0.000 0.889 1408 T HN 0.366 nan 8.240 nan 0.000 0.506 1409 E N 1.183 121.412 120.200 0.049 0.000 2.364 1409 E HA 0.156 4.505 4.350 -0.002 0.000 0.196 1409 E C -0.088 176.463 176.600 -0.081 0.000 0.990 1409 E CA 0.327 56.725 56.400 -0.004 0.000 0.886 1409 E CB 0.372 30.077 29.700 0.008 0.000 0.866 1409 E HN 0.638 nan 8.360 nan 0.000 0.493 1410 D N 0.667 121.010 120.400 -0.095 0.000 2.602 1410 D HA 0.280 4.918 4.640 -0.002 0.000 0.245 1410 D C -0.818 175.426 176.300 -0.092 0.000 1.325 1410 D CA -0.259 53.692 54.000 -0.082 0.000 0.952 1410 D CB 1.259 42.023 40.800 -0.060 0.000 1.317 1410 D HN 0.121 nan 8.370 nan 0.000 0.577 1411 H N -1.920 117.207 119.070 0.095 0.000 3.003 1411 H HA 0.630 5.185 4.556 -0.002 0.000 0.327 1411 H C -1.720 173.746 175.328 0.230 0.000 1.353 1411 H CA -0.931 55.183 56.048 0.110 0.000 1.142 1411 H CB 0.805 30.616 29.762 0.081 0.000 1.864 1411 H HN 0.002 nan 8.280 nan 0.000 0.529 1412 V N 1.718 121.887 119.914 0.425 0.000 2.588 1412 V HA 0.337 4.455 4.120 -0.002 0.000 0.304 1412 V C -1.353 175.025 176.094 0.474 0.000 1.042 1412 V CA -0.690 61.834 62.300 0.373 0.000 0.877 1412 V CB 1.692 33.680 31.823 0.275 0.000 0.996 1412 V HN 0.873 nan 8.190 nan 0.000 0.425 1413 Y N 5.464 125.937 120.300 0.288 0.000 2.333 1413 Y HA 0.586 5.134 4.550 -0.003 0.000 0.324 1413 Y C -0.917 175.189 175.900 0.344 0.000 1.033 1413 Y CA -1.084 57.194 58.100 0.297 0.000 1.224 1413 Y CB 1.624 40.243 38.460 0.264 0.000 1.120 1413 Y HN 0.618 nan 8.280 nan 0.000 0.457 1414 L N 8.596 129.957 121.223 0.230 0.000 2.283 1414 L HA 0.335 4.673 4.340 -0.002 0.000 0.287 1414 L C -0.751 176.042 176.870 -0.127 0.000 1.073 1414 L CA 0.162 55.024 54.840 0.037 0.000 0.822 1414 L CB -0.311 41.812 42.059 0.107 0.000 1.186 1414 L HN 0.658 nan 8.230 nan 0.000 0.436 1415 H N 3.217 122.051 119.070 -0.394 0.000 2.946 1415 H HA 0.620 5.174 4.556 -0.003 0.000 0.365 1415 H C -1.355 173.867 175.328 -0.176 0.000 1.197 1415 H CA -1.178 54.609 56.048 -0.436 0.000 1.131 1415 H CB 1.111 30.289 29.762 -0.974 0.000 1.849 1415 H HN 0.270 nan 8.280 nan 0.000 0.555 1416 V N 1.421 121.337 119.914 0.003 0.000 2.427 1416 V HA 0.424 4.543 4.120 -0.002 0.000 0.286 1416 V C 0.539 176.817 176.094 0.308 0.000 1.034 1416 V CA -0.007 62.349 62.300 0.093 0.000 0.893 1416 V CB 1.172 33.102 31.823 0.178 0.000 0.982 1416 V HN 1.043 nan 8.190 nan 0.000 0.452 1417 T N 3.340 118.049 114.554 0.260 0.000 2.618 1417 T HA 0.559 4.908 4.350 -0.002 0.000 0.293 1417 T C -2.284 172.627 174.700 0.350 0.000 1.093 1417 T CA -0.508 61.824 62.100 0.386 0.000 1.061 1417 T CB 1.391 70.519 68.868 0.434 0.000 1.498 1417 T HN 0.644 nan 8.240 nan 0.000 0.494 1418 W N 1.058 122.464 121.300 0.175 0.000 2.819 1418 W HA 0.704 5.362 4.660 -0.003 0.000 0.337 1418 W C -1.455 175.186 176.519 0.204 0.000 1.077 1418 W CA -0.469 56.957 57.345 0.135 0.000 1.226 1418 W CB 1.214 30.712 29.460 0.063 0.000 1.419 1418 W HN 0.843 nan 8.180 nan 0.000 0.502 1419 H N 2.598 121.242 119.070 -0.711 0.000 2.600 1419 H HA 0.299 4.853 4.556 -0.002 0.000 0.357 1419 H C 0.794 175.304 175.328 -1.363 0.000 1.106 1419 H CA -0.387 55.256 56.048 -0.675 0.000 1.193 1419 H CB 2.026 31.570 29.762 -0.364 0.000 1.594 1419 H HN 0.562 nan 8.280 nan 0.000 0.526 1420 E N 2.088 121.459 120.200 -1.381 0.000 2.209 1420 E HA -0.165 4.183 4.350 -0.002 0.000 0.196 1420 E C 0.957 177.210 176.600 -0.579 0.000 0.993 1420 E CA 1.545 57.372 56.400 -0.954 0.000 0.819 1420 E CB 0.286 29.747 29.700 -0.398 0.000 0.745 1420 E HN 0.614 nan 8.360 nan 0.000 0.477 1421 E N -0.018 119.902 120.200 -0.468 0.000 2.206 1421 E HA 0.064 4.413 4.350 -0.002 0.000 0.195 1421 E C 1.472 178.036 176.600 -0.060 0.000 0.935 1421 E CA 0.563 56.893 56.400 -0.116 0.000 0.875 1421 E CB 0.038 29.764 29.700 0.043 0.000 0.841 1421 E HN 0.187 nan 8.360 nan 0.000 0.477 1422 K N 0.805 121.219 120.400 0.023 0.000 2.426 1422 K HA 0.177 4.495 4.320 -0.002 0.000 0.193 1422 K C 1.067 177.572 176.600 -0.157 0.000 1.028 1422 K CA 0.464 56.709 56.287 -0.070 0.000 1.047 1422 K CB 0.610 33.053 32.500 -0.096 0.000 0.821 1422 K HN 0.153 nan 8.250 nan 0.000 0.513 1423 G N 2.748 111.322 108.800 -0.377 0.000 2.547 1423 G HA2 -0.375 3.583 3.960 -0.002 0.000 0.271 1423 G HA3 -0.375 3.583 3.960 -0.002 0.000 0.271 1423 G C -0.507 174.263 174.900 -0.217 0.000 1.209 1423 G CA -0.122 44.759 45.100 -0.366 0.000 0.959 1423 G HN 0.328 nan 8.290 nan 0.000 0.563 1424 K N 0.632 121.065 120.400 0.056 0.000 2.484 1424 K HA 0.388 4.706 4.320 -0.002 0.000 0.280 1424 K C 0.605 177.215 176.600 0.018 0.000 1.013 1424 K CA 0.487 56.836 56.287 0.104 0.000 1.029 1424 K CB -0.666 31.902 32.500 0.113 0.000 0.902 1424 K HN 1.295 nan 8.250 nan 0.000 0.481 1425 C N 2.133 121.441 119.300 0.014 0.000 3.332 1425 C HA 0.682 5.140 4.460 -0.002 0.000 0.329 1425 C C -1.311 173.612 174.990 -0.111 0.000 1.434 1425 C CA -1.506 57.473 59.018 -0.066 0.000 1.314 1425 C CB 0.338 28.013 27.740 -0.109 0.000 1.664 1425 C HN 0.760 nan 8.230 nan 0.000 0.457 1426 L N 1.514 122.605 121.223 -0.220 0.000 2.346 1426 L HA 0.841 5.180 4.340 -0.002 0.000 0.276 1426 L C -0.408 176.242 176.870 -0.367 0.000 1.006 1426 L CA 0.304 54.943 54.840 -0.334 0.000 0.817 1426 L CB 1.644 43.407 42.059 -0.495 0.000 1.272 1426 L HN 1.041 nan 8.230 nan 0.000 0.421 1427 Q N 3.454 122.945 119.800 -0.514 0.000 2.511 1427 Q HA 0.664 5.002 4.340 -0.002 0.000 0.289 1427 Q C -1.980 173.747 176.000 -0.456 0.000 1.021 1427 Q CA -0.378 55.157 55.803 -0.447 0.000 0.785 1427 Q CB 1.972 30.497 28.738 -0.354 0.000 1.472 1427 Q HN 0.621 nan 8.270 nan 0.000 0.411 1428 I N 2.968 123.437 120.570 -0.169 0.000 2.418 1428 I HA 0.459 4.628 4.170 -0.002 0.000 0.287 1428 I C -0.575 175.601 176.117 0.098 0.000 1.008 1428 I CA -0.642 60.649 61.300 -0.015 0.000 1.104 1428 I CB 1.496 39.476 38.000 -0.033 0.000 1.264 1428 I HN 0.554 nan 8.210 nan 0.000 0.438 1429 I N 5.827 126.559 120.570 0.270 0.000 2.392 1429 I HA 0.335 4.504 4.170 -0.002 0.000 0.295 1429 I C -0.255 175.957 176.117 0.158 0.000 0.985 1429 I CA -0.330 61.084 61.300 0.190 0.000 1.221 1429 I CB 1.740 39.961 38.000 0.369 0.000 1.366 1429 I HN 0.584 nan 8.210 nan 0.000 0.467 1430 Q N 4.693 124.476 119.800 -0.028 0.000 2.274 1430 Q HA 0.423 4.762 4.340 -0.002 0.000 0.268 1430 Q C -1.631 174.276 176.000 -0.155 0.000 1.015 1430 Q CA -0.572 55.214 55.803 -0.028 0.000 0.775 1430 Q CB 2.055 30.751 28.738 -0.069 0.000 1.256 1430 Q HN 0.597 nan 8.270 nan 0.000 0.442 1431 T N 4.116 118.532 114.554 -0.230 0.000 2.770 1431 T HA 0.426 4.774 4.350 -0.002 0.000 0.283 1431 T C -1.002 173.556 174.700 -0.236 0.000 0.988 1431 T CA -0.491 61.434 62.100 -0.293 0.000 0.957 1431 T CB 1.016 69.553 68.868 -0.551 0.000 0.930 1431 T HN 0.414 nan 8.240 nan 0.000 0.443 1432 K N 1.687 121.971 120.400 -0.193 0.000 2.463 1432 K HA 0.522 4.840 4.320 -0.002 0.000 0.255 1432 K C 0.825 177.364 176.600 -0.102 0.000 0.942 1432 K CA -0.400 55.769 56.287 -0.198 0.000 0.814 1432 K CB 0.994 33.243 32.500 -0.419 0.000 1.122 1432 K HN 0.785 nan 8.250 nan 0.000 0.425 1433 G N 2.661 111.435 108.800 -0.044 0.000 2.258 1433 G HA2 -0.266 3.692 3.960 -0.002 0.000 0.274 1433 G HA3 -0.266 3.692 3.960 -0.002 0.000 0.274 1433 G C 0.737 175.621 174.900 -0.026 0.000 1.021 1433 G CA 0.660 45.739 45.100 -0.036 0.000 0.798 1433 G HN 1.403 nan 8.290 nan 0.000 0.507 1434 G N -1.558 107.227 108.800 -0.026 0.000 2.179 1434 G HA2 -0.296 3.662 3.960 -0.002 0.000 0.260 1434 G HA3 -0.296 3.662 3.960 -0.002 0.000 0.260 1434 G C 0.109 175.020 174.900 0.019 0.000 0.977 1434 G CA 0.427 45.529 45.100 0.002 0.000 0.641 1434 G HN 1.080 nan 8.290 nan 0.000 0.533 1435 N N 0.194 118.891 118.700 -0.005 0.000 2.426 1435 N HA 0.406 5.145 4.740 -0.002 0.000 0.257 1435 N C -0.381 175.153 175.510 0.040 0.000 1.002 1435 N CA -0.393 52.670 53.050 0.022 0.000 0.942 1435 N CB 1.217 39.696 38.487 -0.014 0.000 1.112 1435 N HN 0.354 nan 8.380 nan 0.000 0.499 1436 Y N 1.689 121.981 120.300 -0.014 0.000 2.411 1436 Y HA 0.186 4.734 4.550 -0.003 0.000 0.333 1436 Y C -0.147 175.757 175.900 0.007 0.000 1.186 1436 Y CA 0.452 58.558 58.100 0.010 0.000 1.381 1436 Y CB 0.656 39.143 38.460 0.044 0.000 1.273 1436 Y HN 0.494 nan 8.280 nan 0.000 0.546 1437 D N 3.063 123.032 120.400 -0.719 0.000 2.623 1437 D HA 0.299 4.938 4.640 -0.002 0.000 0.241 1437 D C -1.953 173.989 176.300 -0.598 0.000 1.241 1437 D CA -0.607 53.087 54.000 -0.510 0.000 0.788 1437 D CB 1.596 42.253 40.800 -0.238 0.000 1.413 1437 D HN 0.671 nan 8.370 nan 0.000 0.429 1438 E N 1.560 121.573 120.200 -0.311 0.000 2.199 1438 E HA 0.341 4.690 4.350 -0.002 0.000 0.265 1438 E C 0.375 176.910 176.600 -0.108 0.000 0.882 1438 E CA -0.461 55.837 56.400 -0.171 0.000 0.759 1438 E CB 2.093 31.755 29.700 -0.064 0.000 1.148 1438 E HN 0.337 nan 8.360 nan 0.000 0.412 1439 L N 2.659 123.830 121.223 -0.087 0.000 2.554 1439 L HA 0.162 4.500 4.340 -0.002 0.000 0.226 1439 L C 0.237 177.066 176.870 -0.068 0.000 1.137 1439 L CA 0.591 55.386 54.840 -0.076 0.000 0.863 1439 L CB -0.111 41.905 42.059 -0.072 0.000 0.985 1439 L HN 0.372 nan 8.230 nan 0.000 0.451 1440 L N -0.732 120.448 121.223 -0.071 0.000 2.313 1440 L HA 0.410 4.748 4.340 -0.002 0.000 0.283 1440 L C 1.270 178.101 176.870 -0.066 0.000 1.013 1440 L CA -0.469 54.327 54.840 -0.072 0.000 0.816 1440 L CB 1.756 43.756 42.059 -0.098 0.000 1.236 1440 L HN -0.093 nan 8.230 nan 0.000 0.419 1441 A N 2.445 125.232 122.820 -0.056 0.000 1.917 1441 A HA -0.058 4.261 4.320 -0.002 0.000 0.219 1441 A C 0.896 178.440 177.584 -0.068 0.000 1.182 1441 A CA 1.395 53.402 52.037 -0.049 0.000 0.633 1441 A CB -0.071 18.905 19.000 -0.040 0.000 0.819 1441 A HN 0.639 nan 8.150 nan 0.000 0.448 1442 S N -0.489 115.155 115.700 -0.094 0.000 2.540 1442 S HA 0.543 5.012 4.470 -0.002 0.000 0.275 1442 S C -2.988 171.504 174.600 -0.179 0.000 1.123 1442 S CA -1.051 57.058 58.200 -0.151 0.000 0.907 1442 S CB 2.294 65.406 63.200 -0.147 0.000 1.081 1442 S HN 0.243 nan 8.310 nan 0.000 0.476 1443 P HA 0.280 nan 4.420 nan 0.000 0.272 1443 P C -0.912 176.260 177.300 -0.213 0.000 1.223 1443 P CA -0.273 62.687 63.100 -0.234 0.000 0.784 1443 P CB 0.455 32.004 31.700 -0.251 0.000 0.923 1444 I N 4.193 124.642 120.570 -0.202 0.000 2.352 1444 I HA 0.176 4.344 4.170 -0.002 0.000 0.290 1444 I C -1.701 174.335 176.117 -0.135 0.000 1.036 1444 I CA -2.502 58.705 61.300 -0.156 0.000 1.336 1444 I CB 1.056 38.943 38.000 -0.189 0.000 1.407 1444 I HN 0.169 nan 8.210 nan 0.000 0.497 1445 P HA 0.135 nan 4.420 nan 0.000 0.268 1445 P C -0.968 176.328 177.300 -0.006 0.000 1.205 1445 P CA 0.158 63.228 63.100 -0.050 0.000 0.771 1445 P CB 0.971 32.651 31.700 -0.034 0.000 0.858 1446 L N 1.682 122.908 121.223 0.005 0.000 2.341 1446 L HA 0.622 4.960 4.340 -0.002 0.000 0.267 1446 L C 0.579 177.481 176.870 0.053 0.000 1.009 1446 L CA -1.432 53.436 54.840 0.047 0.000 0.819 1446 L CB 1.886 43.968 42.059 0.040 0.000 1.323 1446 L HN 0.314 nan 8.230 nan 0.000 0.425 1447 A N 0.816 123.676 122.820 0.067 0.000 2.454 1447 A HA 0.119 4.437 4.320 -0.002 0.000 0.260 1447 A C 0.922 178.539 177.584 0.055 0.000 1.106 1447 A CA -0.172 51.899 52.037 0.056 0.000 0.780 1447 A CB 0.489 19.523 19.000 0.056 0.000 1.044 1447 A HN 0.864 nan 8.150 nan 0.000 0.498 1448 E N 1.581 121.812 120.200 0.052 0.000 2.097 1448 E HA -0.209 4.140 4.350 -0.002 0.000 0.196 1448 E C 1.018 177.641 176.600 0.039 0.000 1.000 1448 E CA 2.220 58.651 56.400 0.052 0.000 0.804 1448 E CB 0.036 29.769 29.700 0.055 0.000 0.740 1448 E HN 0.818 nan 8.360 nan 0.000 0.454 1449 E N -0.269 119.952 120.200 0.035 0.000 2.437 1449 E HA 0.237 4.586 4.350 -0.002 0.000 0.195 1449 E C -0.442 176.177 176.600 0.031 0.000 1.029 1449 E CA -0.041 56.376 56.400 0.028 0.000 0.948 1449 E CB 0.164 29.878 29.700 0.024 0.000 1.082 1449 E HN -0.011 nan 8.360 nan 0.000 0.456 1450 K N 0.513 120.936 120.400 0.038 0.000 2.318 1450 K HA 0.727 5.046 4.320 -0.002 0.000 0.249 1450 K C -0.440 176.179 176.600 0.031 0.000 0.942 1450 K CA -1.095 55.218 56.287 0.044 0.000 0.808 1450 K CB 2.158 34.694 32.500 0.061 0.000 1.189 1450 K HN 0.143 nan 8.250 nan 0.000 0.428 1451 A N 1.641 124.468 122.820 0.010 0.000 2.366 1451 A HA 0.409 4.727 4.320 -0.002 0.000 0.249 1451 A C -0.288 177.256 177.584 -0.067 0.000 1.084 1451 A CA -0.344 51.656 52.037 -0.062 0.000 0.794 1451 A CB 0.427 19.349 19.000 -0.130 0.000 1.034 1451 A HN 0.392 nan 8.150 nan 0.000 0.491 1452 V N 1.039 120.881 119.914 -0.118 0.000 2.604 1452 V HA 0.353 4.472 4.120 -0.002 0.000 0.305 1452 V C -1.196 174.831 176.094 -0.112 0.000 1.043 1452 V CA -0.372 61.921 62.300 -0.011 0.000 0.888 1452 V CB 1.192 33.056 31.823 0.068 0.000 0.995 1452 V HN 0.732 nan 8.190 nan 0.000 0.429 1453 Y N 4.565 124.924 120.300 0.097 0.000 2.328 1453 Y HA 0.685 5.233 4.550 -0.003 0.000 0.337 1453 Y C 0.037 176.160 175.900 0.372 0.000 1.008 1453 Y CA -0.515 57.671 58.100 0.143 0.000 1.129 1453 Y CB 1.424 39.804 38.460 -0.132 0.000 1.185 1453 Y HN 0.416 nan 8.280 nan 0.000 0.476 1454 L N 4.388 125.928 121.223 0.529 0.000 2.365 1454 L HA 0.645 4.983 4.340 -0.002 0.000 0.273 1454 L C -0.545 176.600 176.870 0.458 0.000 1.000 1454 L CA -0.915 54.225 54.840 0.499 0.000 0.819 1454 L CB 2.173 44.425 42.059 0.321 0.000 1.284 1454 L HN 0.526 nan 8.230 nan 0.000 0.418 1455 K N 1.231 121.869 120.400 0.396 0.000 2.502 1455 K HA 0.783 5.102 4.320 -0.002 0.000 0.257 1455 K C -1.215 175.508 176.600 0.206 0.000 0.938 1455 K CA -0.571 55.797 56.287 0.135 0.000 0.819 1455 K CB 2.714 34.997 32.500 -0.363 0.000 1.333 1455 K HN 0.752 nan 8.250 nan 0.000 0.434 1456 G N 2.351 111.233 108.800 0.138 0.000 2.638 1456 G HA2 0.486 4.444 3.960 -0.002 0.000 0.302 1456 G HA3 0.486 4.444 3.960 -0.002 0.000 0.302 1456 G C -1.751 173.222 174.900 0.123 0.000 1.365 1456 G CA -0.637 44.576 45.100 0.187 0.000 0.987 1456 G HN 0.503 nan 8.290 nan 0.000 0.495 1457 R N 2.386 122.986 120.500 0.166 0.000 2.476 1457 R HA 0.581 4.920 4.340 -0.002 0.000 0.305 1457 R C -1.048 175.252 176.300 0.000 0.000 0.965 1457 R CA -0.664 55.459 56.100 0.040 0.000 0.867 1457 R CB 1.162 31.505 30.300 0.071 0.000 1.176 1457 R HN 0.456 nan 8.270 nan 0.000 0.447 1458 I N 3.452 123.950 120.570 -0.120 0.000 2.441 1458 I HA 0.313 4.482 4.170 -0.002 0.000 0.295 1458 I C -0.635 175.313 176.117 -0.282 0.000 0.994 1458 I CA -0.852 60.396 61.300 -0.087 0.000 1.144 1458 I CB 1.923 39.935 38.000 0.019 0.000 1.314 1458 I HN 0.678 nan 8.210 nan 0.000 0.445 1459 H N 6.221 125.329 119.070 0.064 0.000 2.917 1459 H HA 0.449 5.003 4.556 -0.003 0.000 0.279 1459 H C -0.195 175.082 175.328 -0.086 0.000 1.211 1459 H CA -0.576 55.467 56.048 -0.009 0.000 1.534 1459 H CB 0.636 30.482 29.762 0.141 0.000 1.581 1459 H HN 0.556 nan 8.280 nan 0.000 0.510 1460 R N 0.870 121.307 120.500 -0.105 0.000 3.943 1460 R HA -0.306 4.033 4.340 -0.002 0.000 0.368 1460 R C 0.790 177.099 176.300 0.014 0.000 0.242 1460 R CA 1.853 57.894 56.100 -0.098 0.000 1.197 1460 R CB -0.926 29.270 30.300 -0.173 0.000 0.990 1460 R HN 0.523 nan 8.270 nan 0.000 0.565 1461 E N 1.563 121.764 120.200 0.001 0.000 2.338 1461 E HA -0.020 4.329 4.350 -0.002 0.000 0.197 1461 E C 0.767 177.403 176.600 0.060 0.000 1.007 1461 E CA 1.514 57.935 56.400 0.034 0.000 0.849 1461 E CB -0.025 29.689 29.700 0.022 0.000 0.774 1461 E HN 0.620 nan 8.360 nan 0.000 0.506 1462 T N -1.594 113.010 114.554 0.085 0.000 2.916 1462 T HA 0.685 5.033 4.350 -0.002 0.000 0.292 1462 T C -0.289 174.491 174.700 0.133 0.000 1.055 1462 T CA -1.144 61.019 62.100 0.104 0.000 1.009 1462 T CB 1.754 70.688 68.868 0.109 0.000 1.118 1462 T HN 0.121 nan 8.240 nan 0.000 0.497 1463 M N 0.713 120.391 119.600 0.131 0.000 2.622 1463 M HA 0.757 5.236 4.480 -0.002 0.000 0.276 1463 M C -1.869 174.524 176.300 0.155 0.000 1.265 1463 M CA -0.849 54.539 55.300 0.146 0.000 0.850 1463 M CB 2.320 34.989 32.600 0.116 0.000 1.720 1463 M HN 0.903 nan 8.290 nan 0.000 0.465 1464 H N 0.240 119.365 119.070 0.092 0.000 2.851 1464 H HA 0.767 5.321 4.556 -0.003 0.000 0.372 1464 H C -1.989 173.297 175.328 -0.071 0.000 1.158 1464 H CA -0.475 55.560 56.048 -0.022 0.000 1.159 1464 H CB 2.013 31.736 29.762 -0.064 0.000 1.757 1464 H HN 0.780 nan 8.280 nan 0.000 0.546 1465 L N 3.747 124.756 121.223 -0.356 0.000 2.344 1465 L HA 0.489 4.827 4.340 -0.002 0.000 0.272 1465 L C -1.043 175.669 176.870 -0.264 0.000 1.035 1465 L CA -0.692 54.079 54.840 -0.116 0.000 0.807 1465 L CB 1.043 43.070 42.059 -0.054 0.000 1.237 1465 L HN 0.611 nan 8.230 nan 0.000 0.442 1466 Y N 0.950 121.420 120.300 0.283 0.000 2.615 1466 Y HA 0.680 5.229 4.550 -0.002 0.000 0.341 1466 Y C -0.440 175.840 175.900 0.634 0.000 1.089 1466 Y CA -1.007 57.335 58.100 0.404 0.000 1.049 1466 Y CB 2.043 40.648 38.460 0.242 0.000 1.296 1466 Y HN 0.445 nan 8.280 nan 0.000 0.470 1467 F N -0.407 119.943 119.950 0.668 0.000 2.773 1467 F HA 0.855 5.380 4.527 -0.003 0.000 0.314 1467 F C -1.950 174.022 175.800 0.287 0.000 1.160 1467 F CA -1.344 56.972 58.000 0.527 0.000 0.920 1467 F CB 2.002 41.171 39.000 0.280 0.000 1.323 1467 F HN 0.494 nan 8.300 nan 0.000 0.457 1468 K N 0.823 121.146 120.400 -0.127 0.000 2.660 1468 K HA 0.478 4.797 4.320 -0.002 0.000 0.285 1468 K C -2.225 174.393 176.600 0.030 0.000 0.997 1468 K CA -1.040 55.018 56.287 -0.382 0.000 0.861 1468 K CB 1.949 34.035 32.500 -0.689 0.000 1.469 1468 K HN 0.874 nan 8.250 nan 0.000 0.395 1469 Q N 0.940 120.758 119.800 0.031 0.000 2.248 1469 Q HA 0.223 4.561 4.340 -0.002 0.000 0.263 1469 Q C 0.111 176.192 176.000 0.135 0.000 1.007 1469 Q CA -0.913 54.983 55.803 0.155 0.000 0.877 1469 Q CB 1.997 30.815 28.738 0.132 0.000 1.315 1469 Q HN 0.683 nan 8.270 nan 0.000 0.454 1470 E N 1.133 121.470 120.200 0.228 0.000 2.242 1470 E HA -0.314 4.034 4.350 -0.002 0.000 0.247 1470 E C 1.498 178.140 176.600 0.071 0.000 1.056 1470 E CA 1.862 58.400 56.400 0.230 0.000 0.999 1470 E CB -0.454 29.339 29.700 0.155 0.000 0.891 1470 E HN 0.915 nan 8.360 nan 0.000 0.512 1471 G N 0.968 109.789 108.800 0.035 0.000 2.708 1471 G HA2 -0.154 3.804 3.960 -0.002 0.000 0.210 1471 G HA3 -0.154 3.804 3.960 -0.002 0.000 0.210 1471 G C 0.040 174.909 174.900 -0.051 0.000 1.141 1471 G CA 0.131 45.227 45.100 -0.005 0.000 0.788 1471 G HN 0.209 nan 8.290 nan 0.000 0.531 1472 E N -0.351 119.795 120.200 -0.091 0.000 2.283 1472 E HA 0.483 4.831 4.350 -0.002 0.000 0.278 1472 E C 1.026 177.501 176.600 -0.209 0.000 1.027 1472 E CA -0.159 56.155 56.400 -0.143 0.000 0.843 1472 E CB 1.579 31.176 29.700 -0.172 0.000 1.062 1472 E HN 0.081 nan 8.360 nan 0.000 0.401 1473 A N 3.272 125.995 122.820 -0.162 0.000 1.984 1473 A HA -0.003 4.316 4.320 -0.002 0.000 0.214 1473 A C 0.642 178.121 177.584 -0.175 0.000 1.173 1473 A CA 0.788 52.732 52.037 -0.155 0.000 0.673 1473 A CB 0.242 19.189 19.000 -0.089 0.000 0.830 1473 A HN 0.488 nan 8.150 nan 0.000 0.453 1474 E N -1.838 118.262 120.200 -0.167 0.000 2.207 1474 E HA 0.486 4.834 4.350 -0.002 0.000 0.270 1474 E C -1.403 175.096 176.600 -0.168 0.000 0.927 1474 E CA -0.573 55.762 56.400 -0.109 0.000 0.799 1474 E CB 0.776 30.455 29.700 -0.036 0.000 1.172 1474 E HN 0.429 nan 8.360 nan 0.000 0.404 1475 W N 1.547 122.783 121.300 -0.106 0.000 2.202 1475 W HA 0.296 4.954 4.660 -0.003 0.000 0.332 1475 W C 0.125 176.605 176.519 -0.065 0.000 1.263 1475 W CA -0.062 57.226 57.345 -0.095 0.000 1.223 1475 W CB 0.731 30.150 29.460 -0.068 0.000 1.128 1475 W HN 0.260 nan 8.180 nan 0.000 0.573 1476 Q N 4.410 124.285 119.800 0.125 0.000 2.333 1476 Q HA 0.331 4.669 4.340 -0.002 0.000 0.267 1476 Q C -2.195 173.973 176.000 0.281 0.000 1.012 1476 Q CA -2.137 53.695 55.803 0.048 0.000 0.824 1476 Q CB 2.167 30.706 28.738 -0.332 0.000 1.290 1476 Q HN 0.072 nan 8.270 nan 0.000 0.449 1477 P HA 0.106 nan 4.420 nan 0.000 0.275 1477 P C -1.085 176.361 177.300 0.245 0.000 1.228 1477 P CA -0.184 63.017 63.100 0.168 0.000 0.786 1477 P CB 1.257 33.006 31.700 0.080 0.000 0.927 1478 V N 1.802 121.817 119.914 0.169 0.000 2.733 1478 V HA 0.708 4.826 4.120 -0.002 0.000 0.306 1478 V C -0.083 175.970 176.094 -0.068 0.000 1.084 1478 V CA 0.641 63.026 62.300 0.142 0.000 0.905 1478 V CB 1.037 32.992 31.823 0.221 0.000 1.010 1478 V HN 1.095 nan 8.190 nan 0.000 0.424 1479 G N 6.850 115.619 108.800 -0.052 0.000 2.828 1479 G HA2 -0.075 3.884 3.960 -0.002 0.000 0.463 1479 G HA3 -0.075 3.884 3.960 -0.002 0.000 0.463 1479 G C -2.920 171.886 174.900 -0.156 0.000 1.394 1479 G CA -0.172 44.855 45.100 -0.121 0.000 0.862 1479 G HN 0.919 nan 8.290 nan 0.000 0.540 1480 P HA 0.461 nan 4.420 nan 0.000 0.284 1480 P C 0.464 177.680 177.300 -0.140 0.000 1.292 1480 P CA 0.265 63.337 63.100 -0.047 0.000 0.800 1480 P CB 0.610 32.296 31.700 -0.023 0.000 1.188 1481 T N -1.712 112.885 114.554 0.072 0.000 2.919 1481 T HA 0.479 4.828 4.350 -0.002 0.000 0.302 1481 T C 0.384 175.097 174.700 0.023 0.000 1.031 1481 T CA -0.403 61.775 62.100 0.131 0.000 1.127 1481 T CB -0.299 68.687 68.868 0.197 0.000 0.952 1481 T HN 0.196 nan 8.240 nan 0.000 0.540 1482 I N 2.391 122.972 120.570 0.018 0.000 2.433 1482 I HA 0.267 4.436 4.170 -0.002 0.000 0.292 1482 I C 0.042 176.194 176.117 0.059 0.000 1.001 1482 I CA -0.974 60.339 61.300 0.023 0.000 1.119 1482 I CB 1.774 39.787 38.000 0.021 0.000 1.289 1482 I HN 0.687 nan 8.210 nan 0.000 0.438 1483 D N 5.975 126.404 120.400 0.047 0.000 2.336 1483 D HA 0.112 4.750 4.640 -0.002 0.000 0.249 1483 D C 0.526 176.896 176.300 0.118 0.000 1.213 1483 D CA -0.049 53.983 54.000 0.053 0.000 0.870 1483 D CB 1.758 42.562 40.800 0.008 0.000 1.076 1483 D HN 0.243 nan 8.370 nan 0.000 0.483 1484 V N 3.590 123.564 119.914 0.099 0.000 3.649 1484 V HA -0.098 4.021 4.120 -0.002 0.000 0.275 1484 V C 2.304 178.390 176.094 -0.014 0.000 1.281 1484 V CA 1.249 63.596 62.300 0.078 0.000 1.143 1484 V CB -0.527 31.337 31.823 0.069 0.000 0.892 1484 V HN 0.726 nan 8.190 nan 0.000 0.441 1485 T N -1.317 113.224 114.554 -0.021 0.000 3.051 1485 T HA -0.234 4.114 4.350 -0.002 0.000 0.269 1485 T C 1.756 176.325 174.700 -0.219 0.000 1.127 1485 T CA 1.455 63.479 62.100 -0.127 0.000 1.107 1485 T CB -0.595 68.106 68.868 -0.279 0.000 0.898 1485 T HN 0.766 nan 8.240 nan 0.000 0.517 1486 H N 0.655 119.593 119.070 -0.220 0.000 2.524 1486 H HA 0.204 4.759 4.556 -0.002 0.000 0.282 1486 H C 0.659 175.865 175.328 -0.203 0.000 1.016 1486 H CA 0.201 56.116 56.048 -0.221 0.000 1.270 1486 H CB -0.436 29.221 29.762 -0.175 0.000 1.394 1486 H HN 0.397 nan 8.280 nan 0.000 0.568 1487 M N 2.592 121.826 119.600 -0.611 0.000 2.852 1487 M HA 0.219 4.697 4.480 -0.002 0.000 0.321 1487 M C -0.570 175.558 176.300 -0.287 0.000 1.337 1487 M CA -0.289 54.736 55.300 -0.457 0.000 1.406 1487 M CB 0.750 33.178 32.600 -0.286 0.000 1.152 1487 M HN 0.348 nan 8.290 nan 0.000 0.508 1488 S N -0.837 114.510 115.700 -0.588 0.000 2.636 1488 S HA 0.383 4.852 4.470 -0.002 0.000 0.268 1488 S C -0.183 174.122 174.600 -0.491 0.000 1.159 1488 S CA -0.953 57.062 58.200 -0.308 0.000 0.815 1488 S CB 1.291 64.505 63.200 0.022 0.000 1.130 1488 S HN 0.423 nan 8.310 nan 0.000 0.471 1489 D N 0.772 121.117 120.400 -0.091 0.000 2.264 1489 D HA 0.068 4.706 4.640 -0.002 0.000 0.208 1489 D C 0.462 176.728 176.300 -0.057 0.000 0.966 1489 D CA 1.449 55.420 54.000 -0.047 0.000 0.864 1489 D CB -0.264 40.559 40.800 0.039 0.000 0.933 1489 D HN 0.712 nan 8.370 nan 0.000 0.499 1490 D N -1.328 119.087 120.400 0.025 0.000 2.398 1490 D HA -0.003 4.635 4.640 -0.002 0.000 0.210 1490 D C 1.426 177.824 176.300 0.164 0.000 1.094 1490 D CA 0.180 54.233 54.000 0.089 0.000 0.839 1490 D CB 0.312 41.173 40.800 0.102 0.000 0.963 1490 D HN 0.033 nan 8.370 nan 0.000 0.506 1491 S N -0.297 115.487 115.700 0.141 0.000 2.558 1491 S HA 0.368 4.837 4.470 -0.002 0.000 0.217 1491 S C 1.028 175.642 174.600 0.024 0.000 0.975 1491 S CA -0.489 57.790 58.200 0.132 0.000 0.912 1491 S CB 0.149 63.338 63.200 -0.018 0.000 0.776 1491 S HN 0.220 nan 8.310 nan 0.000 0.526 1492 A N 1.640 124.447 122.820 -0.021 0.000 2.247 1492 A HA 0.716 5.034 4.320 -0.002 0.000 0.313 1492 A C 1.209 178.785 177.584 -0.013 0.000 1.109 1492 A CA -0.558 51.461 52.037 -0.030 0.000 0.890 1492 A CB 0.472 19.442 19.000 -0.051 0.000 1.239 1492 A HN 0.141 nan 8.150 nan 0.000 0.506 1493 K N -0.660 119.723 120.400 -0.027 0.000 2.063 1493 K HA -0.108 4.211 4.320 -0.002 0.000 0.208 1493 K C 0.620 177.194 176.600 -0.043 0.000 1.048 1493 K CA 1.825 58.091 56.287 -0.035 0.000 0.928 1493 K CB -0.161 32.304 32.500 -0.059 0.000 0.713 1493 K HN 0.702 nan 8.250 nan 0.000 0.442 1494 Q N -0.687 119.074 119.800 -0.065 0.000 2.399 1494 Q HA 0.368 4.707 4.340 -0.002 0.000 0.276 1494 Q C -0.970 175.028 176.000 -0.004 0.000 1.098 1494 Q CA -1.182 54.591 55.803 -0.050 0.000 0.827 1494 Q CB 2.472 31.097 28.738 -0.189 0.000 1.386 1494 Q HN -0.128 nan 8.270 nan 0.000 0.443 1495 V N 1.229 121.156 119.914 0.022 0.000 3.032 1495 V HA 0.038 4.156 4.120 -0.002 0.000 0.307 1495 V C 0.101 176.036 176.094 -0.264 0.000 1.097 1495 V CA 0.395 62.647 62.300 -0.081 0.000 1.191 1495 V CB -0.014 31.779 31.823 -0.049 0.000 0.964 1495 V HN 0.669 nan 8.190 nan 0.000 0.494 1496 R N 1.671 121.943 120.500 -0.379 0.000 2.807 1496 R HA 0.579 4.917 4.340 -0.002 0.000 0.276 1496 R C -0.944 175.012 176.300 -0.574 0.000 0.979 1496 R CA -0.639 55.192 56.100 -0.447 0.000 0.928 1496 R CB 1.405 31.675 30.300 -0.050 0.000 1.191 1496 R HN 0.541 nan 8.270 nan 0.000 0.471 1497 F N -0.465 119.240 119.950 -0.409 0.000 2.654 1497 F HA 0.145 4.670 4.527 -0.003 0.000 0.303 1497 F C 1.408 176.718 175.800 -0.816 0.000 1.099 1497 F CA -0.326 57.192 58.000 -0.804 0.000 1.270 1497 F CB 0.082 38.077 39.000 -1.675 0.000 1.024 1497 F HN 0.580 nan 8.300 nan 0.000 0.548 1498 T N -2.273 111.992 114.554 -0.482 0.000 2.589 1498 T HA 0.810 5.159 4.350 -0.002 0.000 0.178 1498 T C 0.816 175.063 174.700 -0.755 0.000 0.708 1498 T CA 0.156 61.657 62.100 -0.999 0.000 1.734 1498 T CB 0.221 68.505 68.868 -0.974 0.000 2.792 1498 T HN 0.205 nan 8.240 nan 0.000 0.406 1499 G N -0.087 108.267 108.800 -0.744 0.000 2.321 1499 G HA2 0.424 4.382 3.960 -0.002 0.000 0.298 1499 G HA3 0.424 4.382 3.960 -0.002 0.000 0.298 1499 G C -1.106 173.700 174.900 -0.158 0.000 1.385 1499 G CA -0.651 44.330 45.100 -0.199 0.000 0.856 1499 G HN 0.573 nan 8.290 nan 0.000 0.584 1500 T N 0.933 115.537 114.554 0.083 0.000 2.851 1500 T HA 0.564 4.913 4.350 -0.002 0.000 0.298 1500 T C -0.710 174.017 174.700 0.045 0.000 0.977 1500 T CA 0.552 62.745 62.100 0.153 0.000 1.126 1500 T CB 0.380 69.347 68.868 0.164 0.000 0.916 1500 T HN 0.312 nan 8.240 nan 0.000 0.529 1501 F N 1.590 121.501 119.950 -0.065 0.000 2.538 1501 F HA 0.677 5.202 4.527 -0.002 0.000 0.325 1501 F C 0.098 175.921 175.800 0.038 0.000 1.066 1501 F CA -1.075 56.837 58.000 -0.146 0.000 0.946 1501 F CB 1.747 40.531 39.000 -0.359 0.000 1.199 1501 F HN 0.255 nan 8.300 nan 0.000 0.473 1502 V N 1.812 121.824 119.914 0.163 0.000 2.709 1502 V HA 0.971 5.089 4.120 -0.002 0.000 0.308 1502 V C -0.530 175.711 176.094 0.244 0.000 1.062 1502 V CA 0.277 62.737 62.300 0.266 0.000 0.901 1502 V CB 1.180 33.190 31.823 0.311 0.000 1.003 1502 V HN 0.963 nan 8.190 nan 0.000 0.425 1503 G N 5.456 114.422 108.800 0.278 0.000 2.474 1503 G HA2 0.439 4.398 3.960 -0.002 0.000 0.234 1503 G HA3 0.439 4.398 3.960 -0.002 0.000 0.234 1503 G C -1.575 173.371 174.900 0.077 0.000 1.204 1503 G CA -0.728 44.377 45.100 0.010 0.000 0.939 1503 G HN 0.753 nan 8.290 nan 0.000 0.491 1504 M N 0.233 119.689 119.600 -0.240 0.000 2.602 1504 M HA 0.789 5.267 4.480 -0.002 0.000 0.312 1504 M C -0.192 175.934 176.300 -0.289 0.000 1.181 1504 M CA -0.597 54.472 55.300 -0.386 0.000 0.910 1504 M CB 2.505 34.361 32.600 -1.241 0.000 1.723 1504 M HN 1.174 nan 8.290 nan 0.000 0.459 1505 A N 0.710 123.482 122.820 -0.081 0.000 2.601 1505 A HA 0.903 5.222 4.320 -0.002 0.000 0.291 1505 A C -1.217 176.456 177.584 0.149 0.000 1.075 1505 A CA -0.648 51.357 52.037 -0.053 0.000 0.671 1505 A CB 2.095 20.958 19.000 -0.229 0.000 1.277 1505 A HN 0.719 nan 8.150 nan 0.000 0.417 1506 T N 0.553 115.133 114.554 0.044 0.000 3.047 1506 T HA 0.578 4.927 4.350 -0.002 0.000 0.340 1506 T C -2.172 172.531 174.700 0.005 0.000 1.421 1506 T CA -0.428 61.708 62.100 0.059 0.000 1.090 1506 T CB 1.380 70.242 68.868 -0.010 0.000 1.292 1506 T HN 1.264 nan 8.240 nan 0.000 0.480 1507 Q N 2.960 122.792 119.800 0.054 0.000 2.397 1507 Q HA 0.535 4.874 4.340 -0.002 0.000 0.275 1507 Q C -1.779 174.288 176.000 0.112 0.000 1.090 1507 Q CA -0.904 54.919 55.803 0.033 0.000 0.809 1507 Q CB 2.246 30.982 28.738 -0.004 0.000 1.362 1507 Q HN 0.647 nan 8.270 nan 0.000 0.431 1508 D N 2.909 123.353 120.400 0.073 0.000 2.408 1508 D HA 0.267 4.905 4.640 -0.002 0.000 0.261 1508 D C 0.163 176.507 176.300 0.073 0.000 1.190 1508 D CA -0.372 53.700 54.000 0.121 0.000 0.910 1508 D CB 0.553 41.371 40.800 0.031 0.000 1.097 1508 D HN 0.629 nan 8.370 nan 0.000 0.522 1509 L N 2.018 123.286 121.223 0.075 0.000 2.610 1509 L HA -0.015 4.323 4.340 -0.002 0.000 0.232 1509 L C 1.999 178.855 176.870 -0.023 0.000 1.149 1509 L CA 0.403 55.249 54.840 0.011 0.000 0.872 1509 L CB -0.275 41.791 42.059 0.011 0.000 0.992 1509 L HN 0.263 nan 8.230 nan 0.000 0.447 1510 S N -1.318 114.383 115.700 0.001 0.000 2.503 1510 S HA 0.182 4.650 4.470 -0.002 0.000 0.215 1510 S C 1.566 176.158 174.600 -0.013 0.000 1.003 1510 S CA 0.444 58.624 58.200 -0.034 0.000 0.910 1510 S CB 0.652 63.836 63.200 -0.026 0.000 0.790 1510 S HN 0.464 nan 8.310 nan 0.000 0.514 1511 G N 1.286 110.086 108.800 -0.000 0.000 2.157 1511 G HA2 -0.286 3.672 3.960 -0.002 0.000 0.239 1511 G HA3 -0.286 3.672 3.960 -0.002 0.000 0.239 1511 G C 0.742 175.632 174.900 -0.017 0.000 0.982 1511 G CA 0.619 45.708 45.100 -0.017 0.000 0.650 1511 G HN 1.124 nan 8.290 nan 0.000 0.527 1512 T N -0.899 113.649 114.554 -0.009 0.000 3.194 1512 T HA 0.335 4.684 4.350 -0.002 0.000 0.251 1512 T C 1.180 175.852 174.700 -0.045 0.000 1.132 1512 T CA 0.908 62.990 62.100 -0.030 0.000 1.028 1512 T CB -0.056 68.793 68.868 -0.033 0.000 0.976 1512 T HN 0.586 nan 8.240 nan 0.000 0.535 1513 K N 0.211 120.591 120.400 -0.034 0.000 3.035 1513 K HA -0.166 4.153 4.320 -0.002 0.000 0.262 1513 K C 0.100 176.683 176.600 -0.029 0.000 1.024 1513 K CA 0.642 56.919 56.287 -0.017 0.000 0.748 1513 K CB -1.624 30.876 32.500 0.001 0.000 1.247 1513 K HN 0.639 nan 8.250 nan 0.000 0.482 1514 K N 2.218 122.566 120.400 -0.086 0.000 2.491 1514 K HA 0.022 4.340 4.320 -0.002 0.000 0.279 1514 K C -2.115 174.513 176.600 0.047 0.000 1.026 1514 K CA -0.815 55.407 56.287 -0.108 0.000 1.070 1514 K CB 0.512 32.805 32.500 -0.346 0.000 0.887 1514 K HN -0.002 nan 8.250 nan 0.000 0.481 1515 P HA 0.215 nan 4.420 nan 0.000 0.282 1515 P C -1.475 175.931 177.300 0.178 0.000 1.249 1515 P CA -0.652 62.500 63.100 0.087 0.000 0.806 1515 P CB 1.612 33.329 31.700 0.029 0.000 0.984 1516 A N 2.279 125.157 122.820 0.097 0.000 2.353 1516 A HA 0.493 4.812 4.320 -0.002 0.000 0.299 1516 A C -0.936 176.583 177.584 -0.109 0.000 1.089 1516 A CA -0.553 51.460 52.037 -0.040 0.000 0.736 1516 A CB 0.681 19.499 19.000 -0.304 0.000 1.195 1516 A HN 0.380 nan 8.150 nan 0.000 0.447 1517 D N 2.058 122.354 120.400 -0.175 0.000 2.329 1517 D HA 0.463 5.102 4.640 -0.002 0.000 0.232 1517 D C -1.126 175.053 176.300 -0.202 0.000 1.088 1517 D CA 0.430 54.376 54.000 -0.089 0.000 0.835 1517 D CB 0.845 41.628 40.800 -0.028 0.000 1.078 1517 D HN 0.316 nan 8.370 nan 0.000 0.495 1518 F N 1.752 121.712 119.950 0.017 0.000 2.391 1518 F HA 0.171 4.696 4.527 -0.003 0.000 0.359 1518 F C 1.555 177.460 175.800 0.175 0.000 1.122 1518 F CA -0.720 57.311 58.000 0.051 0.000 1.120 1518 F CB 1.218 40.228 39.000 0.017 0.000 1.142 1518 F HN 0.109 nan 8.300 nan 0.000 0.483 1519 D N 2.198 122.751 120.400 0.254 0.000 2.183 1519 D HA -0.106 4.533 4.640 -0.002 0.000 0.203 1519 D C -0.102 176.442 176.300 0.406 0.000 0.969 1519 D CA 1.699 55.821 54.000 0.204 0.000 0.842 1519 D CB -0.015 40.876 40.800 0.151 0.000 0.957 1519 D HN 0.550 nan 8.370 nan 0.000 0.484 1520 Y N -2.626 117.913 120.300 0.399 0.000 2.774 1520 Y HA 0.529 5.077 4.550 -0.002 0.000 0.346 1520 Y C -2.103 174.006 175.900 0.348 0.000 1.222 1520 Y CA -1.968 56.249 58.100 0.197 0.000 1.088 1520 Y CB 0.689 39.181 38.460 0.053 0.000 1.354 1520 Y HN -0.209 nan 8.280 nan 0.000 0.455 1521 F N 1.888 121.981 119.950 0.240 0.000 2.574 1521 F HA 0.716 5.241 4.527 -0.003 0.000 0.313 1521 F C -0.975 175.037 175.800 0.355 0.000 1.130 1521 F CA -0.733 57.465 58.000 0.329 0.000 0.936 1521 F CB 1.798 41.044 39.000 0.408 0.000 1.219 1521 F HN 0.790 nan 8.300 nan 0.000 0.445 1522 R N 4.725 125.276 120.500 0.084 0.000 2.562 1522 R HA 0.450 4.789 4.340 -0.002 0.000 0.298 1522 R C -2.200 174.200 176.300 0.167 0.000 0.961 1522 R CA -0.805 55.395 56.100 0.167 0.000 0.881 1522 R CB 1.675 32.047 30.300 0.119 0.000 1.159 1522 R HN 0.775 nan 8.270 nan 0.000 0.450 1523 Y N 3.801 124.182 120.300 0.135 0.000 2.327 1523 Y HA 0.363 4.911 4.550 -0.003 0.000 0.325 1523 Y C -1.480 174.443 175.900 0.039 0.000 0.999 1523 Y CA -0.683 57.492 58.100 0.125 0.000 1.195 1523 Y CB 1.088 39.646 38.460 0.164 0.000 1.132 1523 Y HN 0.465 nan 8.280 nan 0.000 0.455 1524 K N 5.804 125.899 120.400 -0.509 0.000 2.426 1524 K HA 0.398 4.717 4.320 -0.002 0.000 0.254 1524 K C -1.036 175.266 176.600 -0.496 0.000 0.936 1524 K CA -0.494 55.541 56.287 -0.419 0.000 0.801 1524 K CB 1.507 33.888 32.500 -0.199 0.000 1.139 1524 K HN 0.813 nan 8.250 nan 0.000 0.424 1525 E N 0.000 119.961 120.200 -0.398 0.000 2.725 1525 E HA 0.000 4.349 4.350 -0.002 0.000 0.291 1525 E CA 0.000 56.259 56.400 -0.236 0.000 0.976 1525 E CB 0.000 29.616 29.700 -0.140 0.000 0.812 1525 E HN 0.000 nan 8.360 nan 0.000 0.440