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 1y6g_1_A DATA FIRST_RESID 998 DATA SEQUENCE MGSMRICIFM ARGLEGCGVT KFSLEQRDWF IKNGHEVTLV YAKDKSFTRT DATA SEQUENCE SSHDHKSFSI PVILAKEYDK ALKLVNDCDI LIINSVPATS VQEATINNYK DATA SEQUENCE KLLDNIKPSI RVVVYQHDHS VLSLRRNLGL EETVRRADVI FSHSDNGDFN DATA SEQUENCE KVLMKEWYPX XXXXXXXXXX APTVYNFQPP MDIVKVRSTY WKDVSEINMN DATA SEQUENCE INRWIGRTTT WKGFYQMFDF HEKFLKPAGK STVMEGLERS PAFIAIKEKG DATA SEQUENCE IPYEYYGNRE IDKMNLAPNQ PAQILDCYIN SEMLERMSKS GFGYQLSKLN DATA SEQUENCE QKYLQRSLEY THLELGACGT IPVFWKSTGE NLKFRVDNTP LTSHDSGIIW DATA SEQUENCE FDENDMESTF ERIKELSSDR ALYDREREKA YEFLYQHQDS SFCFKEQFDI DATA SEQUENCE ITK 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 998 M HA 0.000 nan 4.480 nan 0.000 0.227 998 M C 0.000 176.431 176.300 0.218 0.000 1.140 998 M CA 0.000 55.499 55.300 0.331 0.000 0.988 998 M CB 0.000 32.999 32.600 0.665 0.000 1.302 999 G N 0.621 109.576 108.800 0.259 0.000 2.947 999 G HA2 0.390 4.350 3.960 -0.000 0.000 0.115 999 G HA3 0.390 4.350 3.960 -0.000 0.000 0.115 999 G C -1.324 173.623 174.900 0.079 0.000 1.214 999 G CA 0.636 45.815 45.100 0.131 0.000 1.324 999 G HN 0.427 nan 8.290 nan 0.000 0.645 1000 S N -0.030 115.741 115.700 0.118 0.000 2.736 1000 S HA 0.730 5.200 4.470 -0.000 0.000 0.285 1000 S C -0.681 174.059 174.600 0.234 0.000 1.163 1000 S CA -0.453 57.788 58.200 0.068 0.000 1.025 1000 S CB 0.375 63.545 63.200 -0.049 0.000 1.030 1000 S HN 0.523 nan 8.310 nan 0.000 0.486 1001 M N 3.036 122.913 119.600 0.462 0.000 2.658 1001 M HA 0.567 5.047 4.480 -0.000 0.000 0.295 1001 M C -0.547 175.851 176.300 0.164 0.000 1.248 1001 M CA -0.863 54.583 55.300 0.245 0.000 0.843 1001 M CB 2.270 34.980 32.600 0.183 0.000 1.749 1001 M HN 0.433 nan 8.290 nan 0.000 0.464 1002 R N 1.264 121.797 120.500 0.055 0.000 2.297 1002 R HA 0.618 4.958 4.340 -0.000 0.000 0.308 1002 R C -0.988 175.270 176.300 -0.070 0.000 1.029 1002 R CA -0.340 55.761 56.100 0.001 0.000 0.929 1002 R CB 0.829 31.125 30.300 -0.007 0.000 1.046 1002 R HN 0.440 nan 8.270 nan 0.000 0.461 1003 I N 2.075 122.565 120.570 -0.134 0.000 2.474 1003 I HA 0.240 4.410 4.170 -0.000 0.000 0.294 1003 I C -0.345 175.680 176.117 -0.154 0.000 1.005 1003 I CA -0.839 60.310 61.300 -0.252 0.000 1.113 1003 I CB 1.802 39.451 38.000 -0.586 0.000 1.289 1003 I HN 0.681 nan 8.210 nan 0.000 0.436 1004 C N 7.950 127.186 119.300 -0.107 0.000 2.386 1004 C HA 0.549 5.009 4.460 -0.000 0.000 0.318 1004 C C -0.045 174.964 174.990 0.032 0.000 1.128 1004 C CA -0.455 58.543 59.018 -0.033 0.000 1.438 1004 C CB -0.845 26.881 27.740 -0.024 0.000 1.987 1004 C HN 0.623 nan 8.230 nan 0.000 0.426 1005 I N 6.359 126.960 120.570 0.052 0.000 2.301 1005 I HA 0.254 4.424 4.170 -0.000 0.000 0.292 1005 I C -0.022 176.241 176.117 0.244 0.000 1.046 1005 I CA 0.159 61.537 61.300 0.130 0.000 1.282 1005 I CB 0.386 38.435 38.000 0.081 0.000 1.409 1005 I HN 0.615 nan 8.210 nan 0.000 0.484 1006 F N 7.584 127.587 119.950 0.087 0.000 2.411 1006 F HA 0.518 5.045 4.527 -0.000 0.000 0.352 1006 F C -0.258 175.599 175.800 0.095 0.000 1.123 1006 F CA -1.074 56.984 58.000 0.096 0.000 1.044 1006 F CB 1.058 40.118 39.000 0.100 0.000 1.135 1006 F HN 0.339 nan 8.300 nan 0.000 0.461 1007 M N 6.871 126.756 119.600 0.474 0.000 2.060 1007 M HA 0.253 4.733 4.480 -0.000 0.000 0.342 1007 M C 0.738 177.021 176.300 -0.027 0.000 1.031 1007 M CA -0.303 55.054 55.300 0.095 0.000 0.981 1007 M CB 1.564 34.231 32.600 0.113 0.000 1.376 1007 M HN 0.825 nan 8.290 nan 0.000 0.397 1008 A N 2.595 125.100 122.820 -0.524 0.000 1.969 1008 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 1008 A C 2.067 179.520 177.584 -0.218 0.000 1.169 1008 A CA 1.382 53.073 52.037 -0.577 0.000 0.635 1008 A CB -0.281 18.109 19.000 -1.016 0.000 0.810 1008 A HN 0.825 nan 8.150 nan 0.000 0.445 1009 R N -0.798 119.614 120.500 -0.147 0.000 2.276 1009 R HA 0.225 4.565 4.340 -0.000 0.000 0.203 1009 R C 0.841 177.235 176.300 0.156 0.000 1.017 1009 R CA 0.726 56.825 56.100 -0.003 0.000 1.010 1009 R CB -0.260 30.025 30.300 -0.025 0.000 0.900 1009 R HN 0.729 nan 8.270 nan 0.000 0.469 1010 G N 0.122 109.006 108.800 0.140 0.000 2.655 1010 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.680 1010 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.680 1010 G C -1.181 173.793 174.900 0.123 0.000 1.302 1010 G CA -0.713 44.566 45.100 0.298 0.000 0.872 1010 G HN 0.125 nan 8.290 nan 0.000 0.540 1011 L N 0.944 122.258 121.223 0.152 0.000 2.385 1011 L HA 0.425 4.765 4.340 -0.000 0.000 0.281 1011 L C 1.467 178.175 176.870 -0.270 0.000 1.106 1011 L CA 0.375 55.090 54.840 -0.208 0.000 0.856 1011 L CB 0.943 42.738 42.059 -0.440 0.000 1.186 1011 L HN 0.777 nan 8.230 nan 0.000 0.453 1012 E N 1.221 121.111 120.200 -0.517 0.000 2.474 1012 E HA 0.211 4.561 4.350 -0.000 0.000 0.195 1012 E C 1.405 177.814 176.600 -0.319 0.000 1.039 1012 E CA 0.449 56.429 56.400 -0.700 0.000 0.881 1012 E CB 0.270 29.372 29.700 -0.996 0.000 0.970 1012 E HN 0.645 nan 8.360 nan 0.000 0.486 1013 G N -0.218 108.422 108.800 -0.266 0.000 2.205 1013 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.269 1013 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.269 1013 G C 0.756 175.628 174.900 -0.046 0.000 0.977 1013 G CA 0.791 45.817 45.100 -0.124 0.000 0.652 1013 G HN 0.441 nan 8.290 nan 0.000 0.539 1014 C N -0.863 118.358 119.300 -0.131 0.000 1.506 1014 C HA 0.689 5.149 4.460 -0.000 0.000 0.237 1014 C C 2.866 177.840 174.990 -0.027 0.000 3.028 1014 C CA 0.733 59.720 59.018 -0.051 0.000 1.867 1014 C CB 0.093 27.782 27.740 -0.085 0.000 2.380 1014 C HN 0.598 nan 8.230 nan 0.000 0.273 1015 G N -0.017 108.803 108.800 0.034 0.000 2.446 1015 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.217 1015 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.217 1015 G C 1.586 176.553 174.900 0.112 0.000 1.168 1015 G CA 1.309 46.501 45.100 0.154 0.000 0.771 1015 G HN 0.466 nan 8.290 nan 0.000 0.551 1016 V N 0.689 120.543 119.914 -0.100 0.000 2.392 1016 V HA -0.174 3.946 4.120 -0.000 0.000 0.249 1016 V C 3.165 179.169 176.094 -0.150 0.000 1.059 1016 V CA 2.511 64.636 62.300 -0.291 0.000 1.051 1016 V CB -0.472 31.096 31.823 -0.426 0.000 0.658 1016 V HN 0.424 nan 8.190 nan 0.000 0.455 1017 T N -0.996 113.431 114.554 -0.211 0.000 2.857 1017 T HA -0.140 4.210 4.350 -0.000 0.000 0.266 1017 T C 1.935 176.431 174.700 -0.341 0.000 1.048 1017 T CA 1.485 63.404 62.100 -0.301 0.000 1.139 1017 T CB -0.097 68.522 68.868 -0.416 0.000 0.874 1017 T HN 0.294 nan 8.240 nan 0.000 0.455 1018 K N 1.324 121.517 120.400 -0.345 0.000 2.001 1018 K HA 0.015 4.334 4.320 -0.000 0.000 0.208 1018 K C 1.799 178.368 176.600 -0.052 0.000 1.048 1018 K CA 1.114 57.184 56.287 -0.362 0.000 0.932 1018 K CB -0.937 31.446 32.500 -0.195 0.000 0.715 1018 K HN 0.270 nan 8.250 nan 0.000 0.437 1019 F N 1.307 121.384 119.950 0.212 0.000 2.087 1019 F HA -0.305 4.221 4.527 -0.000 0.000 0.299 1019 F C 1.909 177.801 175.800 0.154 0.000 1.100 1019 F CA 2.357 60.571 58.000 0.357 0.000 1.226 1019 F CB -0.740 38.466 39.000 0.344 0.000 0.983 1019 F HN 0.065 nan 8.300 nan 0.000 0.479 1020 S N 1.085 116.783 115.700 -0.004 0.000 2.370 1020 S HA -0.187 4.283 4.470 -0.000 0.000 0.226 1020 S C 2.111 176.635 174.600 -0.127 0.000 1.033 1020 S CA 1.676 59.814 58.200 -0.104 0.000 1.011 1020 S CB -0.683 62.520 63.200 0.005 0.000 0.852 1020 S HN 0.433 nan 8.310 nan 0.000 0.457 1021 L N 1.290 122.462 121.223 -0.084 0.000 2.056 1021 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 1021 L C 2.726 179.549 176.870 -0.080 0.000 1.078 1021 L CA 1.046 55.876 54.840 -0.016 0.000 0.749 1021 L CB -0.622 41.455 42.059 0.029 0.000 0.901 1021 L HN 0.211 nan 8.230 nan 0.000 0.433 1022 E N 0.142 120.271 120.200 -0.119 0.000 2.077 1022 E HA -0.279 4.071 4.350 -0.000 0.000 0.193 1022 E C 2.078 178.533 176.600 -0.242 0.000 0.989 1022 E CA 1.227 57.588 56.400 -0.065 0.000 0.800 1022 E CB -0.138 29.593 29.700 0.052 0.000 0.746 1022 E HN 0.527 nan 8.360 nan 0.000 0.452 1023 Q N 0.722 120.221 119.800 -0.502 0.000 2.050 1023 Q HA -0.174 4.165 4.340 -0.000 0.000 0.202 1023 Q C 2.338 178.171 176.000 -0.278 0.000 0.980 1023 Q CA 1.529 56.791 55.803 -0.901 0.000 0.840 1023 Q CB -0.031 28.238 28.738 -0.782 0.000 0.898 1023 Q HN 0.080 nan 8.270 nan 0.000 0.424 1024 R N 0.030 120.459 120.500 -0.119 0.000 2.096 1024 R HA -0.173 4.167 4.340 -0.000 0.000 0.235 1024 R C 1.292 177.576 176.300 -0.027 0.000 1.127 1024 R CA 1.978 58.074 56.100 -0.007 0.000 0.968 1024 R CB -0.082 30.202 30.300 -0.026 0.000 0.861 1024 R HN 0.288 nan 8.270 nan 0.000 0.440 1025 D N -0.651 119.701 120.400 -0.081 0.000 2.144 1025 D HA -0.176 4.464 4.640 -0.000 0.000 0.200 1025 D C 1.278 177.542 176.300 -0.060 0.000 0.978 1025 D CA 1.064 55.020 54.000 -0.074 0.000 0.833 1025 D CB -0.309 40.464 40.800 -0.046 0.000 0.961 1025 D HN 0.393 nan 8.370 nan 0.000 0.470 1026 W N -0.098 121.039 121.300 -0.273 0.000 2.418 1026 W HA -0.039 4.621 4.660 -0.000 0.000 0.292 1026 W C 1.777 178.144 176.519 -0.253 0.000 1.213 1026 W CA 0.861 58.022 57.345 -0.307 0.000 1.283 1026 W CB -0.424 28.705 29.460 -0.551 0.000 1.119 1026 W HN -0.136 nan 8.180 nan 0.000 0.542 1027 F N 0.240 120.184 119.950 -0.010 0.000 2.084 1027 F HA -0.193 4.334 4.527 -0.000 0.000 0.296 1027 F C 2.355 178.096 175.800 -0.098 0.000 1.111 1027 F CA 1.862 59.868 58.000 0.011 0.000 1.224 1027 F CB -0.832 38.217 39.000 0.081 0.000 0.991 1027 F HN -0.249 nan 8.300 nan 0.000 0.471 1028 I N 0.258 120.878 120.570 0.084 0.000 2.091 1028 I HA -0.398 3.772 4.170 -0.000 0.000 0.239 1028 I C 2.505 178.532 176.117 -0.149 0.000 1.061 1028 I CA 1.696 62.978 61.300 -0.029 0.000 1.317 1028 I CB -0.491 37.467 38.000 -0.069 0.000 1.031 1028 I HN 0.077 nan 8.210 nan 0.000 0.401 1029 K N 1.001 121.267 120.400 -0.222 0.000 2.173 1029 K HA -0.240 4.080 4.320 -0.000 0.000 0.207 1029 K C 1.052 177.420 176.600 -0.387 0.000 1.046 1029 K CA 2.095 58.209 56.287 -0.288 0.000 0.929 1029 K CB -0.148 32.165 32.500 -0.311 0.000 0.720 1029 K HN 0.293 nan 8.250 nan 0.000 0.453 1030 N N -0.339 118.043 118.700 -0.531 0.000 2.276 1030 N HA 0.145 4.884 4.740 -0.000 0.000 0.212 1030 N C -0.838 174.406 175.510 -0.443 0.000 1.127 1030 N CA 0.670 53.384 53.050 -0.560 0.000 0.834 1030 N CB 1.292 39.236 38.487 -0.904 0.000 1.014 1030 N HN 0.370 nan 8.380 nan 0.000 0.491 1031 G N 1.615 110.223 108.800 -0.319 0.000 2.438 1031 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.272 1031 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.272 1031 G C -1.101 173.546 174.900 -0.422 0.000 0.991 1031 G CA -0.176 44.745 45.100 -0.299 0.000 1.348 1031 G HN 0.448 nan 8.290 nan 0.000 0.483 1032 H N 0.421 119.491 119.070 0.001 0.000 2.966 1032 H HA 0.237 4.793 4.556 -0.000 0.000 0.347 1032 H C 0.012 175.353 175.328 0.021 0.000 1.048 1032 H CA -0.735 55.355 56.048 0.071 0.000 1.295 1032 H CB 1.521 31.431 29.762 0.246 0.000 1.744 1032 H HN 0.581 nan 8.280 nan 0.000 0.513 1033 E N 2.339 122.604 120.200 0.109 0.000 2.366 1033 E HA 0.289 4.639 4.350 -0.000 0.000 0.266 1033 E C -0.363 176.244 176.600 0.011 0.000 1.015 1033 E CA -0.130 56.292 56.400 0.037 0.000 0.906 1033 E CB 1.192 30.903 29.700 0.018 0.000 0.979 1033 E HN 0.123 nan 8.360 nan 0.000 0.443 1034 V N 2.512 122.421 119.914 -0.008 0.000 2.823 1034 V HA 0.485 4.605 4.120 -0.000 0.000 0.312 1034 V C -0.109 175.979 176.094 -0.009 0.000 1.072 1034 V CA -0.821 61.456 62.300 -0.038 0.000 0.937 1034 V CB 2.200 33.998 31.823 -0.042 0.000 1.013 1034 V HN 0.849 nan 8.190 nan 0.000 0.430 1035 T N 1.656 116.208 114.554 -0.002 0.000 2.928 1035 T HA 0.647 4.997 4.350 -0.000 0.000 0.296 1035 T C -1.098 173.641 174.700 0.064 0.000 1.000 1035 T CA -0.468 61.656 62.100 0.039 0.000 0.989 1035 T CB 1.396 70.272 68.868 0.014 0.000 1.005 1035 T HN 0.567 nan 8.240 nan 0.000 0.442 1036 L N 4.449 125.755 121.223 0.139 0.000 2.287 1036 L HA 0.649 4.989 4.340 -0.000 0.000 0.280 1036 L C -0.651 176.336 176.870 0.194 0.000 1.055 1036 L CA -0.549 54.392 54.840 0.169 0.000 0.863 1036 L CB 0.338 42.538 42.059 0.236 0.000 1.245 1036 L HN 0.671 nan 8.230 nan 0.000 0.432 1037 V N 4.992 124.992 119.914 0.144 0.000 2.686 1037 V HA 0.384 4.504 4.120 -0.000 0.000 0.295 1037 V C -0.609 175.686 176.094 0.335 0.000 1.057 1037 V CA -0.156 62.209 62.300 0.107 0.000 1.012 1037 V CB 1.351 33.051 31.823 -0.204 0.000 1.006 1037 V HN 0.700 nan 8.190 nan 0.000 0.477 1038 Y N 1.882 122.254 120.300 0.120 0.000 2.482 1038 Y HA 0.782 5.332 4.550 -0.000 0.000 0.334 1038 Y C -0.334 175.693 175.900 0.213 0.000 1.091 1038 Y CA -1.513 56.725 58.100 0.229 0.000 1.027 1038 Y CB 0.930 39.468 38.460 0.130 0.000 1.306 1038 Y HN 0.704 nan 8.280 nan 0.000 0.446 1039 A N 4.180 127.170 122.820 0.283 0.000 2.444 1039 A HA 0.260 4.580 4.320 -0.000 0.000 0.273 1039 A C 0.918 178.526 177.584 0.040 0.000 1.136 1039 A CA -0.415 51.699 52.037 0.128 0.000 0.799 1039 A CB 0.258 19.378 19.000 0.200 0.000 1.081 1039 A HN 0.925 nan 8.150 nan 0.000 0.509 1040 K N 1.833 122.170 120.400 -0.104 0.000 2.525 1040 K HA -0.062 4.258 4.320 -0.000 0.000 0.192 1040 K C 0.250 176.873 176.600 0.038 0.000 1.029 1040 K CA 0.859 57.121 56.287 -0.043 0.000 1.029 1040 K CB -0.048 32.373 32.500 -0.131 0.000 0.814 1040 K HN 0.813 nan 8.250 nan 0.000 0.503 1041 D N 0.960 121.386 120.400 0.043 0.000 2.357 1041 D HA -0.153 4.487 4.640 -0.000 0.000 0.216 1041 D C 0.041 176.361 176.300 0.033 0.000 0.973 1041 D CA 1.236 55.260 54.000 0.040 0.000 0.912 1041 D CB 0.140 40.968 40.800 0.047 0.000 0.900 1041 D HN 0.049 nan 8.370 nan 0.000 0.501 1042 K N 0.067 120.505 120.400 0.063 0.000 2.619 1042 K HA 0.229 4.549 4.320 -0.000 0.000 0.251 1042 K C -1.292 175.334 176.600 0.044 0.000 0.987 1042 K CA -0.576 55.709 56.287 -0.004 0.000 0.844 1042 K CB 1.211 33.677 32.500 -0.056 0.000 1.237 1042 K HN -0.024 nan 8.250 nan 0.000 0.447 1043 S N 2.906 118.592 115.700 -0.024 0.000 2.586 1043 S HA 0.616 5.085 4.470 -0.000 0.000 0.274 1043 S C -0.353 174.200 174.600 -0.079 0.000 1.281 1043 S CA -0.566 57.678 58.200 0.072 0.000 1.035 1043 S CB 0.460 63.697 63.200 0.062 0.000 0.962 1043 S HN 0.329 nan 8.310 nan 0.000 0.512 1044 F N 0.071 120.036 119.950 0.026 0.000 2.556 1044 F HA 0.473 5.000 4.527 -0.000 0.000 0.327 1044 F C 1.801 177.600 175.800 -0.000 0.000 1.059 1044 F CA -1.044 56.957 58.000 0.003 0.000 0.953 1044 F CB 1.431 40.424 39.000 -0.012 0.000 1.227 1044 F HN 0.614 nan 8.300 nan 0.000 0.478 1045 T N -0.045 114.606 114.554 0.161 0.000 2.737 1045 T HA -0.111 4.239 4.350 -0.000 0.000 0.265 1045 T C 1.502 176.241 174.700 0.065 0.000 1.038 1045 T CA 1.299 63.447 62.100 0.082 0.000 1.144 1045 T CB -0.189 68.704 68.868 0.042 0.000 0.866 1045 T HN 0.364 nan 8.240 nan 0.000 0.434 1046 R N 1.639 122.171 120.500 0.054 0.000 2.514 1046 R HA 0.063 4.403 4.340 -0.000 0.000 0.216 1046 R C 1.631 177.937 176.300 0.010 0.000 1.295 1046 R CA 0.184 56.281 56.100 -0.004 0.000 1.246 1046 R CB -0.483 29.784 30.300 -0.054 0.000 1.057 1046 R HN 0.152 nan 8.270 nan 0.000 0.490 1047 T N -0.790 113.795 114.554 0.052 0.000 3.400 1047 T HA 0.020 4.370 4.350 -0.000 0.000 0.254 1047 T C 0.848 175.617 174.700 0.114 0.000 1.153 1047 T CA 0.717 62.857 62.100 0.068 0.000 1.012 1047 T CB 0.030 68.972 68.868 0.124 0.000 0.994 1047 T HN 0.230 nan 8.240 nan 0.000 0.555 1048 S N -1.025 114.713 115.700 0.064 0.000 2.649 1048 S HA 0.170 4.640 4.470 -0.000 0.000 0.246 1048 S C 2.011 176.625 174.600 0.024 0.000 1.057 1048 S CA -0.231 58.008 58.200 0.064 0.000 1.051 1048 S CB 0.285 63.508 63.200 0.038 0.000 1.018 1048 S HN 0.367 nan 8.310 nan 0.000 0.569 1049 S N 1.583 117.268 115.700 -0.025 0.000 2.380 1049 S HA -0.103 4.367 4.470 -0.000 0.000 0.229 1049 S C 0.281 174.708 174.600 -0.288 0.000 1.043 1049 S CA 1.582 59.683 58.200 -0.165 0.000 1.038 1049 S CB -0.195 62.898 63.200 -0.180 0.000 0.872 1049 S HN 0.662 nan 8.310 nan 0.000 0.456 1050 H N -0.422 118.639 119.070 -0.014 0.000 2.621 1050 H HA 0.536 5.092 4.556 -0.000 0.000 0.360 1050 H C -0.819 174.570 175.328 0.101 0.000 1.163 1050 H CA -1.136 54.926 56.048 0.023 0.000 1.194 1050 H CB 0.809 30.550 29.762 -0.036 0.000 1.649 1050 H HN 0.010 nan 8.280 nan 0.000 0.532 1051 D N 0.549 121.090 120.400 0.234 0.000 2.264 1051 D HA 0.136 4.776 4.640 -0.000 0.000 0.250 1051 D C 0.456 176.869 176.300 0.187 0.000 1.113 1051 D CA 0.018 54.132 54.000 0.190 0.000 0.871 1051 D CB 0.458 41.359 40.800 0.169 0.000 1.167 1051 D HN 0.836 nan 8.370 nan 0.000 0.447 1052 H N 1.918 120.824 119.070 -0.273 0.000 3.723 1052 H HA 0.075 4.631 4.556 -0.000 0.000 0.254 1052 H C 0.551 175.396 175.328 -0.805 0.000 1.097 1052 H CA -0.245 55.251 56.048 -0.921 0.000 1.170 1052 H CB -0.324 29.018 29.762 -0.700 0.000 1.378 1052 H HN 0.321 nan 8.280 nan 0.000 0.834 1053 K N 1.688 121.556 120.400 -0.888 0.000 2.286 1053 K HA -0.091 4.229 4.320 -0.000 0.000 0.203 1053 K C 1.762 178.172 176.600 -0.316 0.000 1.045 1053 K CA 1.866 57.783 56.287 -0.616 0.000 0.935 1053 K CB 0.076 32.355 32.500 -0.369 0.000 0.737 1053 K HN 0.395 nan 8.250 nan 0.000 0.460 1054 S N -0.079 115.491 115.700 -0.216 0.000 2.528 1054 S HA -0.005 4.465 4.470 -0.000 0.000 0.219 1054 S C 1.496 176.185 174.600 0.147 0.000 0.985 1054 S CA 0.065 58.274 58.200 0.015 0.000 0.914 1054 S CB -0.252 63.029 63.200 0.135 0.000 0.776 1054 S HN 0.445 nan 8.310 nan 0.000 0.526 1055 F N 1.731 121.680 119.950 -0.001 0.000 2.496 1055 F HA 0.461 4.988 4.527 -0.000 0.000 0.274 1055 F C 0.727 176.560 175.800 0.056 0.000 0.924 1055 F CA -0.400 57.614 58.000 0.024 0.000 1.147 1055 F CB -0.807 38.208 39.000 0.026 0.000 0.969 1055 F HN 0.115 nan 8.300 nan 0.000 0.749 1056 S N 2.618 118.166 115.700 -0.253 0.000 2.553 1056 S HA 0.108 4.578 4.470 -0.000 0.000 0.293 1056 S C -0.266 174.439 174.600 0.175 0.000 1.296 1056 S CA -0.132 58.079 58.200 0.018 0.000 1.046 1056 S CB -0.143 63.034 63.200 -0.038 0.000 0.810 1056 S HN 0.317 nan 8.310 nan 0.000 0.505 1057 I N 3.809 124.543 120.570 0.273 0.000 2.420 1057 I HA 0.353 4.523 4.170 -0.000 0.000 0.282 1057 I C -2.240 173.888 176.117 0.019 0.000 1.019 1057 I CA -2.439 58.945 61.300 0.140 0.000 1.130 1057 I CB 2.015 40.047 38.000 0.052 0.000 1.262 1057 I HN 0.524 nan 8.210 nan 0.000 0.454 1058 P HA 0.344 nan 4.420 nan 0.000 0.276 1058 P C -0.813 176.258 177.300 -0.383 0.000 1.244 1058 P CA -0.298 62.331 63.100 -0.785 0.000 0.801 1058 P CB 2.346 33.635 31.700 -0.684 0.000 1.006 1059 V N 2.349 122.044 119.914 -0.365 0.000 2.932 1059 V HA 0.316 4.436 4.120 -0.000 0.000 0.307 1059 V C 0.089 176.119 176.094 -0.106 0.000 1.147 1059 V CA -0.607 61.584 62.300 -0.181 0.000 0.951 1059 V CB 2.287 34.014 31.823 -0.160 0.000 1.031 1059 V HN 0.357 nan 8.190 nan 0.000 0.426 1060 I N 4.847 125.386 120.570 -0.052 0.000 2.310 1060 I HA 0.249 4.418 4.170 -0.000 0.000 0.287 1060 I C 1.278 177.419 176.117 0.040 0.000 1.073 1060 I CA -0.283 61.014 61.300 -0.005 0.000 1.216 1060 I CB 1.015 39.014 38.000 -0.002 0.000 1.415 1060 I HN 0.586 nan 8.210 nan 0.000 0.480 1061 L N 3.906 125.175 121.223 0.077 0.000 2.189 1061 L HA -0.247 4.093 4.340 -0.000 0.000 0.214 1061 L C 2.627 179.586 176.870 0.150 0.000 1.097 1061 L CA 1.599 56.525 54.840 0.143 0.000 0.764 1061 L CB -0.388 41.790 42.059 0.197 0.000 0.900 1061 L HN 0.762 nan 8.230 nan 0.000 0.436 1062 A N -0.609 122.271 122.820 0.100 0.000 1.898 1062 A HA -0.077 4.242 4.320 -0.000 0.000 0.214 1062 A C 2.209 179.837 177.584 0.074 0.000 1.183 1062 A CA 1.009 53.096 52.037 0.083 0.000 0.622 1062 A CB 0.016 19.049 19.000 0.055 0.000 0.824 1062 A HN 0.205 nan 8.150 nan 0.000 0.444 1063 K N -0.714 119.723 120.400 0.062 0.000 2.380 1063 K HA 0.185 4.505 4.320 -0.000 0.000 0.198 1063 K C -0.013 176.623 176.600 0.060 0.000 1.070 1063 K CA 0.243 56.561 56.287 0.051 0.000 1.040 1063 K CB 0.870 33.388 32.500 0.029 0.000 0.903 1063 K HN 0.495 nan 8.250 nan 0.000 0.549 1064 E N 0.415 120.654 120.200 0.066 0.000 3.167 1064 E HA 0.047 4.396 4.350 -0.000 0.000 0.210 1064 E C 0.245 176.885 176.600 0.066 0.000 1.004 1064 E CA -0.237 56.193 56.400 0.049 0.000 1.256 1064 E CB 0.284 29.984 29.700 0.001 0.000 1.193 1064 E HN 0.135 nan 8.360 nan 0.000 0.448 1065 Y N 1.510 121.812 120.300 0.003 0.000 2.069 1065 Y HA -0.349 4.201 4.550 -0.000 0.000 0.278 1065 Y C 1.422 177.319 175.900 -0.006 0.000 1.175 1065 Y CA 2.407 60.512 58.100 0.009 0.000 1.134 1065 Y CB 0.078 38.547 38.460 0.016 0.000 0.965 1065 Y HN 0.145 nan 8.280 nan 0.000 0.498 1066 D N 0.012 120.475 120.400 0.106 0.000 2.126 1066 D HA -0.257 4.383 4.640 -0.000 0.000 0.190 1066 D C 2.199 178.420 176.300 -0.132 0.000 1.001 1066 D CA 2.218 56.212 54.000 -0.010 0.000 0.841 1066 D CB -0.304 40.535 40.800 0.066 0.000 0.949 1066 D HN 0.371 nan 8.370 nan 0.000 0.446 1067 K N 0.109 120.456 120.400 -0.088 0.000 2.074 1067 K HA -0.200 4.119 4.320 -0.000 0.000 0.209 1067 K C 1.945 178.444 176.600 -0.169 0.000 1.048 1067 K CA 1.369 57.594 56.287 -0.104 0.000 0.926 1067 K CB -0.120 32.336 32.500 -0.073 0.000 0.713 1067 K HN 0.130 nan 8.250 nan 0.000 0.444 1068 A N 1.410 124.099 122.820 -0.218 0.000 1.835 1068 A HA -0.172 4.148 4.320 -0.000 0.000 0.215 1068 A C 2.031 179.421 177.584 -0.324 0.000 1.199 1068 A CA 1.438 53.307 52.037 -0.282 0.000 0.615 1068 A CB -0.892 17.958 19.000 -0.250 0.000 0.838 1068 A HN 0.377 nan 8.150 nan 0.000 0.444 1069 L N 0.230 121.186 121.223 -0.444 0.000 2.129 1069 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 1069 L C 2.248 178.988 176.870 -0.216 0.000 1.087 1069 L CA 2.576 57.195 54.840 -0.369 0.000 0.757 1069 L CB -0.638 41.121 42.059 -0.500 0.000 0.896 1069 L HN 0.543 nan 8.230 nan 0.000 0.434 1070 K N -1.044 119.244 120.400 -0.188 0.000 2.148 1070 K HA -0.128 4.192 4.320 -0.000 0.000 0.204 1070 K C 2.041 178.569 176.600 -0.119 0.000 1.050 1070 K CA 1.251 57.465 56.287 -0.121 0.000 0.942 1070 K CB -0.063 32.379 32.500 -0.096 0.000 0.724 1070 K HN 0.418 nan 8.250 nan 0.000 0.446 1071 L N 0.632 121.761 121.223 -0.157 0.000 2.095 1071 L HA -0.113 4.227 4.340 -0.000 0.000 0.204 1071 L C 2.403 179.179 176.870 -0.157 0.000 1.080 1071 L CA 0.794 55.539 54.840 -0.159 0.000 0.759 1071 L CB -0.332 41.601 42.059 -0.210 0.000 0.914 1071 L HN 0.118 nan 8.230 nan 0.000 0.439 1072 V N -3.596 116.209 119.914 -0.181 0.000 2.591 1072 V HA -0.045 4.074 4.120 -0.000 0.000 0.249 1072 V C 1.842 177.896 176.094 -0.068 0.000 1.053 1072 V CA 1.409 63.637 62.300 -0.120 0.000 1.068 1072 V CB -0.671 31.098 31.823 -0.091 0.000 0.689 1072 V HN 0.400 nan 8.190 nan 0.000 0.462 1073 N N 1.065 119.719 118.700 -0.075 0.000 2.515 1073 N HA -0.026 4.714 4.740 -0.000 0.000 0.185 1073 N C 0.306 175.790 175.510 -0.044 0.000 1.109 1073 N CA 1.063 54.082 53.050 -0.050 0.000 0.903 1073 N CB -0.209 38.248 38.487 -0.050 0.000 0.969 1073 N HN 0.722 nan 8.380 nan 0.000 0.450 1074 D N 0.934 121.302 120.400 -0.053 0.000 2.524 1074 D HA 0.235 4.875 4.640 -0.000 0.000 0.222 1074 D C -0.479 175.799 176.300 -0.037 0.000 1.142 1074 D CA -0.429 53.546 54.000 -0.042 0.000 0.973 1074 D CB -0.198 40.575 40.800 -0.045 0.000 1.025 1074 D HN 0.272 nan 8.370 nan 0.000 0.519 1075 C N 1.050 120.332 119.300 -0.030 0.000 2.948 1075 C HA 0.314 4.774 4.460 -0.000 0.000 0.328 1075 C C 0.141 175.118 174.990 -0.023 0.000 1.289 1075 C CA -0.783 58.218 59.018 -0.030 0.000 1.200 1075 C CB 0.827 28.542 27.740 -0.042 0.000 1.341 1075 C HN 0.275 nan 8.230 nan 0.000 0.462 1076 D N 0.496 120.881 120.400 -0.024 0.000 2.323 1076 D HA 0.291 4.931 4.640 -0.000 0.000 0.218 1076 D C 0.307 176.588 176.300 -0.032 0.000 0.973 1076 D CA 1.307 55.296 54.000 -0.018 0.000 0.890 1076 D CB 0.340 41.140 40.800 -0.000 0.000 1.011 1076 D HN 0.676 nan 8.370 nan 0.000 0.499 1077 I N 1.619 122.155 120.570 -0.056 0.000 2.439 1077 I HA 0.185 4.355 4.170 -0.000 0.000 0.285 1077 I C -1.068 175.019 176.117 -0.050 0.000 1.021 1077 I CA -0.983 60.280 61.300 -0.061 0.000 1.091 1077 I CB 2.600 40.539 38.000 -0.102 0.000 1.242 1077 I HN -0.202 nan 8.210 nan 0.000 0.439 1078 L N 8.576 129.799 121.223 -0.001 0.000 2.264 1078 L HA 0.577 4.917 4.340 -0.000 0.000 0.289 1078 L C -0.735 176.191 176.870 0.094 0.000 1.044 1078 L CA 0.158 55.026 54.840 0.046 0.000 0.807 1078 L CB 0.642 42.744 42.059 0.071 0.000 1.192 1078 L HN 0.396 nan 8.230 nan 0.000 0.425 1079 I N 6.705 127.353 120.570 0.131 0.000 2.355 1079 I HA 0.363 4.533 4.170 -0.000 0.000 0.288 1079 I C -0.492 175.779 176.117 0.257 0.000 0.999 1079 I CA -0.368 61.063 61.300 0.218 0.000 1.163 1079 I CB 1.292 39.443 38.000 0.252 0.000 1.316 1079 I HN 0.503 nan 8.210 nan 0.000 0.454 1080 I N 6.431 127.142 120.570 0.236 0.000 2.328 1080 I HA 0.251 4.421 4.170 -0.000 0.000 0.287 1080 I C 0.769 176.988 176.117 0.171 0.000 1.012 1080 I CA -0.240 61.156 61.300 0.160 0.000 1.195 1080 I CB 0.988 39.046 38.000 0.096 0.000 1.350 1080 I HN 0.573 nan 8.210 nan 0.000 0.464 1081 N N 3.523 122.305 118.700 0.137 0.000 2.373 1081 N HA 0.053 4.793 4.740 -0.000 0.000 0.181 1081 N C 0.115 175.627 175.510 0.004 0.000 1.082 1081 N CA 0.236 53.370 53.050 0.139 0.000 0.885 1081 N CB 0.578 39.135 38.487 0.115 0.000 0.977 1081 N HN 0.716 nan 8.380 nan 0.000 0.462 1082 S N -1.228 114.422 115.700 -0.083 0.000 2.643 1082 S HA 0.638 5.108 4.470 -0.000 0.000 0.270 1082 S C -0.589 173.874 174.600 -0.230 0.000 1.166 1082 S CA -0.821 57.300 58.200 -0.131 0.000 0.815 1082 S CB 1.748 64.852 63.200 -0.160 0.000 1.139 1082 S HN -0.087 nan 8.310 nan 0.000 0.472 1083 V N -3.405 116.374 119.914 -0.225 0.000 3.156 1083 V HA 0.862 4.982 4.120 -0.000 0.000 0.311 1083 V C -3.287 172.612 176.094 -0.325 0.000 1.208 1083 V CA -2.989 59.078 62.300 -0.388 0.000 1.063 1083 V CB 0.776 32.461 31.823 -0.231 0.000 1.098 1083 V HN 0.747 nan 8.190 nan 0.000 0.452 1084 P HA 0.434 nan 4.420 nan 0.000 0.272 1084 P C -0.408 176.852 177.300 -0.066 0.000 1.223 1084 P CA 0.297 63.282 63.100 -0.193 0.000 0.784 1084 P CB 0.542 32.129 31.700 -0.187 0.000 0.923 1085 A N 1.476 124.298 122.820 0.004 0.000 2.296 1085 A HA 0.316 4.636 4.320 -0.000 0.000 0.264 1085 A C 1.460 179.059 177.584 0.024 0.000 1.097 1085 A CA 0.351 52.411 52.037 0.037 0.000 0.811 1085 A CB -0.657 18.385 19.000 0.071 0.000 1.072 1085 A HN 0.634 nan 8.150 nan 0.000 0.495 1086 T N -1.908 112.665 114.554 0.032 0.000 3.055 1086 T HA -0.086 4.264 4.350 -0.000 0.000 0.265 1086 T C 1.505 176.216 174.700 0.018 0.000 1.111 1086 T CA 1.323 63.441 62.100 0.030 0.000 1.118 1086 T CB -0.526 68.364 68.868 0.037 0.000 0.909 1086 T HN 1.023 nan 8.240 nan 0.000 0.501 1087 S N 1.403 117.108 115.700 0.007 0.000 2.607 1087 S HA 0.156 4.626 4.470 -0.000 0.000 0.224 1087 S C 0.896 175.490 174.600 -0.010 0.000 0.969 1087 S CA -0.132 58.063 58.200 -0.008 0.000 0.927 1087 S CB -1.093 62.088 63.200 -0.032 0.000 0.772 1087 S HN 0.640 nan 8.310 nan 0.000 0.533 1088 V N 0.601 120.515 119.914 0.001 0.000 3.133 1088 V HA 0.416 4.536 4.120 -0.000 0.000 0.305 1088 V C 0.042 176.144 176.094 0.013 0.000 1.084 1088 V CA -1.222 61.081 62.300 0.005 0.000 1.089 1088 V CB 0.383 32.214 31.823 0.014 0.000 1.073 1088 V HN 0.606 nan 8.190 nan 0.000 0.477 1089 Q N 0.253 120.062 119.800 0.016 0.000 2.259 1089 Q HA 0.356 4.696 4.340 -0.000 0.000 0.246 1089 Q C 0.497 176.514 176.000 0.028 0.000 0.920 1089 Q CA -0.617 55.197 55.803 0.018 0.000 0.895 1089 Q CB 1.297 30.044 28.738 0.015 0.000 1.220 1089 Q HN 0.652 nan 8.270 nan 0.000 0.439 1090 E N 2.026 122.242 120.200 0.025 0.000 2.113 1090 E HA -0.326 4.024 4.350 -0.000 0.000 0.210 1090 E C 1.879 178.501 176.600 0.038 0.000 1.040 1090 E CA 2.245 58.663 56.400 0.029 0.000 0.847 1090 E CB -0.714 28.997 29.700 0.019 0.000 0.755 1090 E HN 0.861 nan 8.360 nan 0.000 0.459 1091 A N 0.368 123.207 122.820 0.032 0.000 2.139 1091 A HA -0.184 4.136 4.320 -0.000 0.000 0.221 1091 A C 2.286 179.911 177.584 0.069 0.000 1.159 1091 A CA 2.074 54.134 52.037 0.039 0.000 0.662 1091 A CB -0.531 18.487 19.000 0.030 0.000 0.796 1091 A HN 0.288 nan 8.150 nan 0.000 0.463 1092 T N -0.453 114.145 114.554 0.073 0.000 2.837 1092 T HA -0.005 4.345 4.350 -0.000 0.000 0.242 1092 T C 1.828 176.613 174.700 0.140 0.000 1.044 1092 T CA 0.917 63.078 62.100 0.101 0.000 1.202 1092 T CB -0.452 68.458 68.868 0.070 0.000 0.905 1092 T HN 0.349 nan 8.240 nan 0.000 0.413 1093 I N 2.412 123.049 120.570 0.113 0.000 2.229 1093 I HA -0.275 3.895 4.170 -0.000 0.000 0.250 1093 I C 1.746 177.971 176.117 0.180 0.000 1.096 1093 I CA 1.558 62.949 61.300 0.152 0.000 1.358 1093 I CB -0.736 37.324 38.000 0.101 0.000 1.047 1093 I HN 0.293 nan 8.210 nan 0.000 0.422 1094 N N 0.069 118.838 118.700 0.116 0.000 2.039 1094 N HA -0.192 4.548 4.740 -0.000 0.000 0.193 1094 N C 1.547 177.117 175.510 0.100 0.000 1.044 1094 N CA 1.519 54.617 53.050 0.080 0.000 0.847 1094 N CB -0.303 38.207 38.487 0.038 0.000 1.030 1094 N HN 0.375 nan 8.380 nan 0.000 0.422 1095 N N 0.294 119.074 118.700 0.133 0.000 2.289 1095 N HA -0.164 4.576 4.740 -0.000 0.000 0.184 1095 N C 1.370 177.070 175.510 0.316 0.000 1.016 1095 N CA 0.609 53.785 53.050 0.210 0.000 0.872 1095 N CB -0.295 38.347 38.487 0.259 0.000 0.973 1095 N HN 0.393 nan 8.380 nan 0.000 0.433 1096 Y N 1.350 121.745 120.300 0.159 0.000 2.181 1096 Y HA -0.189 4.361 4.550 -0.000 0.000 0.288 1096 Y C 1.842 177.820 175.900 0.130 0.000 1.146 1096 Y CA 1.458 59.650 58.100 0.154 0.000 1.164 1096 Y CB 0.124 38.640 38.460 0.092 0.000 0.982 1096 Y HN -0.036 nan 8.280 nan 0.000 0.515 1097 K N 0.447 120.802 120.400 -0.075 0.000 2.001 1097 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 1097 K C 2.184 178.730 176.600 -0.090 0.000 1.048 1097 K CA 1.533 57.706 56.287 -0.191 0.000 0.932 1097 K CB -0.247 32.218 32.500 -0.060 0.000 0.715 1097 K HN 0.195 nan 8.250 nan 0.000 0.437 1098 K N 1.408 121.824 120.400 0.028 0.000 2.127 1098 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 1098 K C 2.123 178.828 176.600 0.176 0.000 1.047 1098 K CA 1.112 57.452 56.287 0.089 0.000 0.927 1098 K CB -0.105 32.427 32.500 0.054 0.000 0.716 1098 K HN 0.111 nan 8.250 nan 0.000 0.450 1099 L N 0.744 122.077 121.223 0.184 0.000 1.976 1099 L HA -0.239 4.101 4.340 -0.000 0.000 0.209 1099 L C 2.390 179.244 176.870 -0.027 0.000 1.071 1099 L CA 1.306 56.189 54.840 0.071 0.000 0.746 1099 L CB -0.343 41.756 42.059 0.067 0.000 0.890 1099 L HN 0.300 nan 8.230 nan 0.000 0.432 1100 L N -0.424 120.706 121.223 -0.156 0.000 2.089 1100 L HA -0.308 4.032 4.340 -0.000 0.000 0.213 1100 L C 1.848 178.670 176.870 -0.081 0.000 1.079 1100 L CA 1.350 56.091 54.840 -0.165 0.000 0.758 1100 L CB -0.543 41.337 42.059 -0.297 0.000 0.891 1100 L HN 0.350 nan 8.230 nan 0.000 0.433 1101 D N -0.827 119.540 120.400 -0.055 0.000 2.347 1101 D HA -0.064 4.576 4.640 -0.000 0.000 0.213 1101 D C 1.188 177.488 176.300 0.000 0.000 0.985 1101 D CA 0.727 54.711 54.000 -0.027 0.000 0.879 1101 D CB -0.058 40.728 40.800 -0.022 0.000 0.919 1101 D HN 0.397 nan 8.370 nan 0.000 0.526 1102 N N -0.551 118.160 118.700 0.019 0.000 2.187 1102 N HA 0.199 4.939 4.740 -0.000 0.000 0.212 1102 N C -0.188 175.326 175.510 0.006 0.000 1.152 1102 N CA -0.165 52.904 53.050 0.030 0.000 0.872 1102 N CB 1.174 39.714 38.487 0.087 0.000 1.025 1102 N HN 0.039 nan 8.380 nan 0.000 0.514 1103 I N 2.171 122.738 120.570 -0.005 0.000 2.505 1103 I HA -0.004 4.165 4.170 -0.000 0.000 0.287 1103 I C 0.393 176.505 176.117 -0.008 0.000 1.104 1103 I CA -0.251 61.043 61.300 -0.009 0.000 1.387 1103 I CB 0.392 38.389 38.000 -0.004 0.000 1.404 1103 I HN -0.018 nan 8.210 nan 0.000 0.528 1104 K N 7.406 127.800 120.400 -0.009 0.000 2.611 1104 K HA -0.124 4.196 4.320 -0.000 0.000 0.280 1104 K C -1.623 174.972 176.600 -0.007 0.000 0.964 1104 K CA -0.428 55.855 56.287 -0.007 0.000 1.029 1104 K CB 0.046 32.541 32.500 -0.009 0.000 0.862 1104 K HN 0.370 nan 8.250 nan 0.000 0.501 1105 P HA -0.110 nan 4.420 nan 0.000 0.229 1105 P C 0.955 178.251 177.300 -0.007 0.000 1.160 1105 P CA 0.888 63.984 63.100 -0.007 0.000 0.777 1105 P CB 0.279 31.975 31.700 -0.006 0.000 0.814 1106 S N -1.323 114.373 115.700 -0.006 0.000 2.489 1106 S HA 0.016 4.486 4.470 -0.000 0.000 0.228 1106 S C 0.874 175.470 174.600 -0.007 0.000 0.995 1106 S CA 0.205 58.401 58.200 -0.006 0.000 0.934 1106 S CB -0.966 62.232 63.200 -0.004 0.000 0.771 1106 S HN 0.027 nan 8.310 nan 0.000 0.522 1107 I N 2.620 123.185 120.570 -0.008 0.000 2.441 1107 I HA 0.225 4.394 4.170 -0.000 0.000 0.287 1107 I C 0.638 176.750 176.117 -0.009 0.000 1.049 1107 I CA -0.528 60.767 61.300 -0.009 0.000 1.381 1107 I CB 0.830 38.825 38.000 -0.007 0.000 1.409 1107 I HN 0.190 nan 8.210 nan 0.000 0.523 1108 R N 6.239 126.730 120.500 -0.015 0.000 2.248 1108 R HA 0.338 4.678 4.340 -0.000 0.000 0.328 1108 R C -1.385 174.911 176.300 -0.007 0.000 1.067 1108 R CA -0.333 55.756 56.100 -0.018 0.000 0.924 1108 R CB 0.686 30.967 30.300 -0.032 0.000 1.013 1108 R HN 0.445 nan 8.270 nan 0.000 0.454 1109 V N 6.862 126.775 119.914 -0.001 0.000 2.348 1109 V HA 0.203 4.323 4.120 -0.000 0.000 0.270 1109 V C -0.225 175.875 176.094 0.010 0.000 1.037 1109 V CA -0.545 61.766 62.300 0.018 0.000 0.872 1109 V CB 1.336 33.172 31.823 0.021 0.000 1.002 1109 V HN 0.570 nan 8.190 nan 0.000 0.464 1110 V N 5.570 125.504 119.914 0.033 0.000 2.472 1110 V HA 0.598 4.718 4.120 -0.000 0.000 0.290 1110 V C -0.086 176.021 176.094 0.021 0.000 1.037 1110 V CA -0.703 61.602 62.300 0.008 0.000 0.908 1110 V CB 1.683 33.553 31.823 0.078 0.000 0.985 1110 V HN 0.480 nan 8.190 nan 0.000 0.454 1111 V N 4.308 124.179 119.914 -0.072 0.000 2.588 1111 V HA 0.489 4.609 4.120 -0.000 0.000 0.304 1111 V C -1.322 174.677 176.094 -0.158 0.000 1.042 1111 V CA -0.577 61.708 62.300 -0.025 0.000 0.877 1111 V CB 1.885 33.717 31.823 0.015 0.000 0.996 1111 V HN 0.785 nan 8.190 nan 0.000 0.425 1112 Y N 2.964 123.232 120.300 -0.053 0.000 2.328 1112 Y HA 0.552 5.101 4.550 -0.000 0.000 0.337 1112 Y C 0.194 175.914 175.900 -0.300 0.000 0.966 1112 Y CA -0.570 57.331 58.100 -0.331 0.000 1.136 1112 Y CB 1.863 40.000 38.460 -0.540 0.000 1.170 1112 Y HN 0.541 nan 8.280 nan 0.000 0.470 1113 Q N 3.141 122.755 119.800 -0.310 0.000 2.430 1113 Q HA 0.205 4.544 4.340 -0.000 0.000 0.245 1113 Q C -0.227 175.590 176.000 -0.304 0.000 1.021 1113 Q CA 0.008 55.589 55.803 -0.371 0.000 0.867 1113 Q CB 0.086 28.238 28.738 -0.977 0.000 1.210 1113 Q HN 0.725 nan 8.270 nan 0.000 0.487 1114 H N 1.789 120.742 119.070 -0.195 0.000 2.533 1114 H HA 0.148 4.704 4.556 -0.000 0.000 0.271 1114 H C -0.549 174.692 175.328 -0.146 0.000 1.000 1114 H CA -0.044 55.952 56.048 -0.087 0.000 1.149 1114 H CB 0.798 30.528 29.762 -0.054 0.000 1.375 1114 H HN 0.485 nan 8.280 nan 0.000 0.582 1115 D N -0.721 119.604 120.400 -0.125 0.000 2.332 1115 D HA 0.145 4.785 4.640 -0.000 0.000 0.252 1115 D C 1.081 177.153 176.300 -0.381 0.000 1.050 1115 D CA -0.323 53.542 54.000 -0.226 0.000 0.970 1115 D CB 1.401 42.150 40.800 -0.084 0.000 1.141 1115 D HN 0.238 nan 8.370 nan 0.000 0.485 1116 H N -0.427 118.521 119.070 -0.202 0.000 2.398 1116 H HA 0.108 4.664 4.556 -0.000 0.000 0.279 1116 H C 0.805 175.889 175.328 -0.407 0.000 1.114 1116 H CA 0.101 55.872 56.048 -0.461 0.000 1.609 1116 H CB -0.603 28.468 29.762 -1.152 0.000 1.460 1116 H HN 0.320 nan 8.280 nan 0.000 0.608 1117 S N 1.126 116.565 115.700 -0.435 0.000 2.580 1117 S HA -0.010 4.460 4.470 -0.000 0.000 0.261 1117 S C 1.878 176.510 174.600 0.054 0.000 1.366 1117 S CA 0.422 58.561 58.200 -0.102 0.000 0.996 1117 S CB 0.474 63.612 63.200 -0.104 0.000 0.902 1117 S HN 0.255 nan 8.310 nan 0.000 0.566 1118 V N 2.489 122.460 119.914 0.094 0.000 2.488 1118 V HA -0.011 4.109 4.120 -0.000 0.000 0.246 1118 V C 2.229 178.361 176.094 0.063 0.000 1.046 1118 V CA 1.415 63.761 62.300 0.077 0.000 1.053 1118 V CB -1.313 30.544 31.823 0.056 0.000 0.679 1118 V HN 0.827 nan 8.190 nan 0.000 0.458 1119 L N 0.828 122.083 121.223 0.054 0.000 1.941 1119 L HA -0.223 4.117 4.340 -0.000 0.000 0.224 1119 L C 2.971 179.875 176.870 0.057 0.000 1.081 1119 L CA 2.497 57.368 54.840 0.052 0.000 0.784 1119 L CB -0.955 41.135 42.059 0.051 0.000 0.894 1119 L HN 0.376 nan 8.230 nan 0.000 0.436 1120 S N -0.072 115.656 115.700 0.047 0.000 2.368 1120 S HA -0.201 4.268 4.470 -0.000 0.000 0.226 1120 S C 1.650 176.292 174.600 0.070 0.000 1.044 1120 S CA 1.319 59.548 58.200 0.049 0.000 1.062 1120 S CB -0.488 62.724 63.200 0.020 0.000 0.931 1120 S HN 0.295 nan 8.310 nan 0.000 0.440 1121 L N 0.763 122.038 121.223 0.087 0.000 2.834 1121 L HA 0.030 4.370 4.340 -0.000 0.000 0.252 1121 L C 1.739 178.705 176.870 0.162 0.000 1.152 1121 L CA 0.678 55.609 54.840 0.152 0.000 0.898 1121 L CB -0.417 41.760 42.059 0.197 0.000 1.078 1121 L HN 0.222 nan 8.230 nan 0.000 0.439 1122 R N -1.561 119.009 120.500 0.118 0.000 2.591 1122 R HA 0.107 4.447 4.340 -0.000 0.000 0.288 1122 R C 1.957 178.312 176.300 0.092 0.000 0.947 1122 R CA 0.250 56.417 56.100 0.113 0.000 1.085 1122 R CB 0.269 30.620 30.300 0.085 0.000 1.618 1122 R HN 0.139 nan 8.270 nan 0.000 0.524 1123 R N 1.438 121.986 120.500 0.081 0.000 2.325 1123 R HA 0.108 4.448 4.340 -0.000 0.000 0.214 1123 R C -0.198 176.143 176.300 0.069 0.000 0.961 1123 R CA 0.406 56.548 56.100 0.069 0.000 1.086 1123 R CB -1.222 29.118 30.300 0.066 0.000 1.037 1123 R HN 0.261 nan 8.270 nan 0.000 0.493 1124 N N -0.663 118.084 118.700 0.080 0.000 2.319 1124 N HA 0.629 5.369 4.740 -0.000 0.000 0.305 1124 N C -0.979 174.576 175.510 0.074 0.000 1.103 1124 N CA -0.737 52.352 53.050 0.065 0.000 0.815 1124 N CB 1.839 40.367 38.487 0.068 0.000 1.288 1124 N HN 0.109 nan 8.380 nan 0.000 0.493 1125 L N 0.110 121.360 121.223 0.045 0.000 2.334 1125 L HA 0.644 4.984 4.340 -0.000 0.000 0.273 1125 L C 1.112 178.031 176.870 0.081 0.000 1.013 1125 L CA -0.828 54.050 54.840 0.063 0.000 0.816 1125 L CB 1.667 43.757 42.059 0.052 0.000 1.278 1125 L HN 0.915 nan 8.230 nan 0.000 0.431 1126 G N 1.539 110.405 108.800 0.110 0.000 2.168 1126 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.257 1126 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.257 1126 G C 0.578 175.554 174.900 0.126 0.000 0.997 1126 G CA 0.684 45.878 45.100 0.157 0.000 0.708 1126 G HN 0.555 nan 8.290 nan 0.000 0.520 1127 L N 0.623 121.884 121.223 0.063 0.000 1.994 1127 L HA 0.121 4.461 4.340 -0.000 0.000 0.208 1127 L C 2.579 179.321 176.870 -0.213 0.000 1.071 1127 L CA 3.022 57.878 54.840 0.027 0.000 0.745 1127 L CB -0.499 41.650 42.059 0.149 0.000 0.892 1127 L HN 0.481 nan 8.230 nan 0.000 0.431 1128 E N -0.669 119.247 120.200 -0.473 0.000 2.070 1128 E HA -0.316 4.034 4.350 -0.000 0.000 0.197 1128 E C 1.934 178.218 176.600 -0.525 0.000 1.004 1128 E CA 1.716 57.529 56.400 -0.977 0.000 0.805 1128 E CB -0.001 29.070 29.700 -1.048 0.000 0.744 1128 E HN 0.517 nan 8.360 nan 0.000 0.451 1129 E N -0.200 119.831 120.200 -0.282 0.000 2.118 1129 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 1129 E C 2.062 178.570 176.600 -0.152 0.000 0.992 1129 E CA 1.893 58.180 56.400 -0.189 0.000 0.804 1129 E CB -0.462 29.159 29.700 -0.132 0.000 0.741 1129 E HN 0.336 nan 8.360 nan 0.000 0.458 1130 T N -0.031 114.463 114.554 -0.100 0.000 2.668 1130 T HA -0.107 4.243 4.350 -0.000 0.000 0.262 1130 T C 2.084 176.762 174.700 -0.036 0.000 1.045 1130 T CA 1.194 63.276 62.100 -0.030 0.000 1.152 1130 T CB -0.630 68.286 68.868 0.080 0.000 0.864 1130 T HN -0.041 nan 8.240 nan 0.000 0.419 1131 V N 1.880 121.756 119.914 -0.064 0.000 2.278 1131 V HA -0.264 3.856 4.120 -0.000 0.000 0.251 1131 V C 2.760 178.854 176.094 -0.001 0.000 1.062 1131 V CA 1.800 64.097 62.300 -0.005 0.000 1.038 1131 V CB -0.624 31.162 31.823 -0.061 0.000 0.646 1131 V HN 0.413 nan 8.190 nan 0.000 0.447 1132 R N -0.564 119.889 120.500 -0.078 0.000 2.127 1132 R HA -0.201 4.139 4.340 -0.000 0.000 0.238 1132 R C 2.427 178.729 176.300 0.003 0.000 1.134 1132 R CA 1.654 57.755 56.100 0.001 0.000 0.975 1132 R CB -0.317 29.927 30.300 -0.092 0.000 0.865 1132 R HN 0.339 nan 8.270 nan 0.000 0.447 1133 R N 1.060 121.543 120.500 -0.030 0.000 2.200 1133 R HA 0.114 4.454 4.340 -0.000 0.000 0.208 1133 R C -0.011 176.283 176.300 -0.011 0.000 1.033 1133 R CA 0.578 56.664 56.100 -0.024 0.000 1.000 1133 R CB 0.043 30.318 30.300 -0.043 0.000 0.906 1133 R HN 0.106 nan 8.270 nan 0.000 0.462 1134 A N 0.903 123.721 122.820 -0.004 0.000 2.511 1134 A HA 0.062 4.382 4.320 -0.000 0.000 0.242 1134 A C -0.015 177.555 177.584 -0.024 0.000 1.069 1134 A CA 0.059 52.092 52.037 -0.008 0.000 0.763 1134 A CB 0.210 19.209 19.000 -0.002 0.000 1.001 1134 A HN 0.380 nan 8.150 nan 0.000 0.498 1135 D N 0.512 120.894 120.400 -0.030 0.000 2.305 1135 D HA 0.165 4.805 4.640 -0.000 0.000 0.206 1135 D C 0.016 176.285 176.300 -0.052 0.000 0.974 1135 D CA 1.062 55.041 54.000 -0.036 0.000 0.871 1135 D CB 0.320 41.102 40.800 -0.030 0.000 0.947 1135 D HN 0.239 nan 8.370 nan 0.000 0.516 1136 V N 1.053 120.920 119.914 -0.079 0.000 2.808 1136 V HA 0.438 4.557 4.120 -0.000 0.000 0.308 1136 V C -0.628 175.327 176.094 -0.232 0.000 1.099 1136 V CA -0.824 61.387 62.300 -0.149 0.000 0.920 1136 V CB 2.906 34.613 31.823 -0.193 0.000 1.014 1136 V HN -0.153 nan 8.190 nan 0.000 0.425 1137 I N 3.722 124.103 120.570 -0.315 0.000 2.534 1137 I HA 0.573 4.743 4.170 -0.000 0.000 0.288 1137 I C -1.125 174.738 176.117 -0.425 0.000 1.077 1137 I CA -0.162 60.975 61.300 -0.271 0.000 1.051 1137 I CB 1.934 39.919 38.000 -0.025 0.000 1.234 1137 I HN 0.405 nan 8.210 nan 0.000 0.425 1138 F N 3.019 122.807 119.950 -0.269 0.000 2.572 1138 F HA 0.782 5.309 4.527 -0.000 0.000 0.342 1138 F C 0.561 176.276 175.800 -0.141 0.000 1.064 1138 F CA -0.328 57.542 58.000 -0.216 0.000 1.008 1138 F CB 2.138 40.765 39.000 -0.622 0.000 1.303 1138 F HN 0.546 nan 8.300 nan 0.000 0.492 1139 S N -1.506 114.417 115.700 0.373 0.000 2.636 1139 S HA 0.300 4.770 4.470 -0.000 0.000 0.266 1139 S C -0.543 174.128 174.600 0.118 0.000 1.147 1139 S CA -0.834 57.462 58.200 0.160 0.000 0.815 1139 S CB 1.199 64.447 63.200 0.081 0.000 1.119 1139 S HN 0.652 nan 8.310 nan 0.000 0.470 1140 H N 0.442 119.520 119.070 0.014 0.000 2.525 1140 H HA 0.431 4.987 4.556 -0.000 0.000 0.275 1140 H C 0.545 175.854 175.328 -0.032 0.000 0.984 1140 H CA 1.296 57.238 56.048 -0.176 0.000 1.264 1140 H CB 0.500 30.171 29.762 -0.152 0.000 1.432 1140 H HN 0.662 nan 8.280 nan 0.000 0.549 1141 S N 0.061 115.864 115.700 0.172 0.000 2.562 1141 S HA 0.119 4.589 4.470 -0.000 0.000 0.274 1141 S C 0.051 174.723 174.600 0.120 0.000 1.160 1141 S CA -0.811 57.468 58.200 0.131 0.000 0.933 1141 S CB 1.379 64.662 63.200 0.138 0.000 1.100 1141 S HN 0.025 nan 8.310 nan 0.000 0.468 1142 D N 2.474 122.922 120.400 0.080 0.000 2.263 1142 D HA -0.038 4.601 4.640 -0.000 0.000 0.208 1142 D C 0.179 176.507 176.300 0.047 0.000 0.971 1142 D CA 0.864 54.902 54.000 0.062 0.000 0.867 1142 D CB 0.033 40.855 40.800 0.036 0.000 0.929 1142 D HN 0.515 nan 8.370 nan 0.000 0.492 1143 N N 0.657 119.379 118.700 0.037 0.000 2.538 1143 N HA 0.191 4.930 4.740 -0.000 0.000 0.291 1143 N C 0.524 176.035 175.510 0.002 0.000 1.323 1143 N CA -0.080 52.971 53.050 0.003 0.000 0.934 1143 N CB 1.314 39.782 38.487 -0.030 0.000 1.255 1143 N HN -0.000 nan 8.380 nan 0.000 0.509 1144 G N -0.135 108.714 108.800 0.083 0.000 2.671 1144 G HA2 0.171 4.131 3.960 -0.000 0.000 0.275 1144 G HA3 0.171 4.131 3.960 -0.000 0.000 0.275 1144 G C 0.318 175.303 174.900 0.143 0.000 1.368 1144 G CA -0.228 44.967 45.100 0.157 0.000 1.044 1144 G HN -0.050 nan 8.290 nan 0.000 0.543 1145 D N -1.126 119.413 120.400 0.231 0.000 2.289 1145 D HA 0.001 4.641 4.640 -0.000 0.000 0.207 1145 D C 1.767 178.146 176.300 0.132 0.000 0.966 1145 D CA 0.248 54.340 54.000 0.153 0.000 0.868 1145 D CB 0.039 40.955 40.800 0.193 0.000 0.943 1145 D HN 0.195 nan 8.370 nan 0.000 0.514 1146 F N 2.068 122.051 119.950 0.055 0.000 2.084 1146 F HA -0.145 4.382 4.527 -0.000 0.000 0.296 1146 F C 1.693 177.507 175.800 0.023 0.000 1.111 1146 F CA 1.358 59.385 58.000 0.044 0.000 1.224 1146 F CB -0.163 38.896 39.000 0.098 0.000 0.991 1146 F HN -0.156 nan 8.300 nan 0.000 0.471 1147 N N 0.092 118.880 118.700 0.145 0.000 2.171 1147 N HA -0.114 4.626 4.740 -0.000 0.000 0.184 1147 N C 1.641 177.114 175.510 -0.062 0.000 1.021 1147 N CA 1.231 54.289 53.050 0.013 0.000 0.854 1147 N CB -0.163 38.373 38.487 0.083 0.000 0.994 1147 N HN 0.136 nan 8.380 nan 0.000 0.426 1148 K N 0.529 120.908 120.400 -0.034 0.000 2.019 1148 K HA 0.121 4.441 4.320 -0.000 0.000 0.209 1148 K C 2.103 178.635 176.600 -0.113 0.000 1.032 1148 K CA 0.560 56.810 56.287 -0.061 0.000 0.947 1148 K CB -1.016 31.462 32.500 -0.036 0.000 0.757 1148 K HN -0.017 nan 8.250 nan 0.000 0.444 1149 V N 2.286 122.134 119.914 -0.111 0.000 2.231 1149 V HA -0.260 3.859 4.120 -0.000 0.000 0.239 1149 V C 2.598 178.500 176.094 -0.319 0.000 1.035 1149 V CA 1.774 63.975 62.300 -0.165 0.000 0.989 1149 V CB -0.823 30.931 31.823 -0.115 0.000 0.636 1149 V HN 0.064 nan 8.190 nan 0.000 0.457 1150 L N -1.035 119.916 121.223 -0.454 0.000 1.989 1150 L HA -0.200 4.140 4.340 -0.000 0.000 0.211 1150 L C 2.517 178.746 176.870 -1.068 0.000 1.071 1150 L CA 1.984 56.240 54.840 -0.974 0.000 0.749 1150 L CB -0.949 40.442 42.059 -1.114 0.000 0.890 1150 L HN 0.237 nan 8.230 nan 0.000 0.431 1151 M N -0.321 118.891 119.600 -0.647 0.000 2.110 1151 M HA -0.276 4.204 4.480 -0.000 0.000 0.257 1151 M C 2.278 178.503 176.300 -0.126 0.000 1.071 1151 M CA 1.868 57.012 55.300 -0.261 0.000 1.096 1151 M CB -1.127 31.348 32.600 -0.207 0.000 1.300 1151 M HN 0.222 nan 8.290 nan 0.000 0.411 1152 K N -0.398 119.906 120.400 -0.161 0.000 2.211 1152 K HA -0.198 4.122 4.320 -0.000 0.000 0.204 1152 K C 1.949 178.467 176.600 -0.138 0.000 1.047 1152 K CA 1.311 57.541 56.287 -0.095 0.000 0.935 1152 K CB -0.189 32.253 32.500 -0.098 0.000 0.728 1152 K HN 0.451 nan 8.250 nan 0.000 0.452 1153 E N 0.128 120.148 120.200 -0.300 0.000 2.028 1153 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 1153 E C 1.588 178.036 176.600 -0.253 0.000 0.988 1153 E CA 1.052 57.243 56.400 -0.349 0.000 0.799 1153 E CB 0.080 29.417 29.700 -0.605 0.000 0.755 1153 E HN 0.353 nan 8.360 nan 0.000 0.447 1154 W N -0.500 120.680 121.300 -0.199 0.000 2.418 1154 W HA -0.042 4.618 4.660 -0.000 0.000 0.292 1154 W C 0.328 176.555 176.519 -0.486 0.000 1.213 1154 W CA 0.368 57.488 57.345 -0.376 0.000 1.283 1154 W CB -0.451 28.697 29.460 -0.520 0.000 1.119 1154 W HN 0.083 nan 8.180 nan 0.000 0.542 1155 Y N 0.754 121.123 120.300 0.115 0.000 2.919 1155 Y HA 0.366 4.916 4.550 -0.000 0.000 0.341 1155 Y C -1.916 173.979 175.900 -0.009 0.000 1.045 1155 Y CA -2.903 55.223 58.100 0.043 0.000 1.218 1155 Y CB -0.294 38.183 38.460 0.027 0.000 1.137 1155 Y HN -0.314 nan 8.280 nan 0.000 0.577 1169 P HA 0.728 nan 4.420 nan 0.000 0.321 1169 P C -0.396 176.728 177.300 -0.292 0.000 1.259 1169 P CA -0.319 62.548 63.100 -0.387 0.000 0.864 1169 P CB 1.279 32.762 31.700 -0.361 0.000 1.355 1170 T N -0.051 114.323 114.554 -0.301 0.000 2.889 1170 T HA 0.358 4.708 4.350 -0.000 0.000 0.291 1170 T C -0.211 174.206 174.700 -0.471 0.000 0.995 1170 T CA -0.090 61.757 62.100 -0.422 0.000 1.092 1170 T CB 0.245 68.747 68.868 -0.610 0.000 0.954 1170 T HN 0.073 nan 8.240 nan 0.000 0.506 1171 V N 4.709 124.365 119.914 -0.430 0.000 2.340 1171 V HA 0.296 4.416 4.120 -0.000 0.000 0.277 1171 V C -0.813 175.107 176.094 -0.290 0.000 1.017 1171 V CA -1.000 61.142 62.300 -0.264 0.000 0.820 1171 V CB -0.130 31.695 31.823 0.003 0.000 1.028 1171 V HN 0.775 nan 8.190 nan 0.000 0.436 1172 Y N 2.604 122.809 120.300 -0.158 0.000 2.330 1172 Y HA 0.215 4.765 4.550 -0.000 0.000 0.341 1172 Y C 1.072 177.060 175.900 0.146 0.000 1.278 1172 Y CA 0.095 58.153 58.100 -0.070 0.000 1.453 1172 Y CB 0.462 38.781 38.460 -0.235 0.000 1.342 1172 Y HN 0.593 nan 8.280 nan 0.000 0.590 1173 N N 1.064 119.997 118.700 0.388 0.000 2.482 1173 N HA 0.458 5.198 4.740 -0.000 0.000 0.279 1173 N C -1.330 174.475 175.510 0.491 0.000 1.182 1173 N CA -0.214 53.043 53.050 0.345 0.000 0.969 1173 N CB 1.397 39.985 38.487 0.168 0.000 1.201 1173 N HN 0.611 nan 8.380 nan 0.000 0.523 1174 F N -1.398 118.601 119.950 0.081 0.000 2.773 1174 F HA 0.444 4.971 4.527 -0.000 0.000 0.314 1174 F C -1.901 173.826 175.800 -0.122 0.000 1.160 1174 F CA -0.890 57.070 58.000 -0.067 0.000 0.920 1174 F CB 0.980 39.847 39.000 -0.222 0.000 1.323 1174 F HN 0.362 nan 8.300 nan 0.000 0.457 1175 Q N 1.405 120.950 119.800 -0.425 0.000 2.423 1175 Q HA 0.456 4.796 4.340 -0.000 0.000 0.278 1175 Q C -2.888 172.969 176.000 -0.238 0.000 1.097 1175 Q CA -2.347 53.166 55.803 -0.483 0.000 0.809 1175 Q CB 3.022 31.556 28.738 -0.339 0.000 1.391 1175 Q HN 0.412 nan 8.270 nan 0.000 0.428 1176 P HA 0.195 nan 4.420 nan 0.000 0.266 1176 P C -2.633 174.697 177.300 0.049 0.000 1.586 1176 P CA -1.510 61.628 63.100 0.064 0.000 1.088 1176 P CB 0.156 31.693 31.700 -0.272 0.000 1.584 1177 P HA 0.273 nan 4.420 nan 0.000 0.271 1177 P C -0.113 177.364 177.300 0.295 0.000 1.216 1177 P CA 0.114 63.134 63.100 -0.132 0.000 0.776 1177 P CB 0.655 31.796 31.700 -0.932 0.000 0.881 1178 M N 1.648 121.408 119.600 0.267 0.000 2.593 1178 M HA 0.334 4.814 4.480 -0.000 0.000 0.290 1178 M C -1.055 175.355 176.300 0.184 0.000 1.244 1178 M CA -0.812 54.629 55.300 0.235 0.000 0.857 1178 M CB 2.248 34.989 32.600 0.235 0.000 1.738 1178 M HN 0.078 nan 8.290 nan 0.000 0.461 1179 D N 3.276 123.776 120.400 0.167 0.000 2.558 1179 D HA 0.221 4.860 4.640 -0.000 0.000 0.221 1179 D C 1.164 177.567 176.300 0.171 0.000 1.143 1179 D CA 0.143 54.246 54.000 0.173 0.000 1.010 1179 D CB -0.254 40.637 40.800 0.152 0.000 1.068 1179 D HN 0.608 nan 8.370 nan 0.000 0.511 1180 I N 1.187 121.858 120.570 0.169 0.000 2.185 1180 I HA -0.344 3.825 4.170 -0.000 0.000 0.246 1180 I C 2.224 178.444 176.117 0.172 0.000 1.088 1180 I CA 0.781 62.160 61.300 0.132 0.000 1.347 1180 I CB 0.032 38.050 38.000 0.030 0.000 1.041 1180 I HN 0.226 nan 8.210 nan 0.000 0.415 1181 V N 0.597 120.646 119.914 0.224 0.000 2.343 1181 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 1181 V C 2.503 178.716 176.094 0.199 0.000 1.051 1181 V CA 1.799 64.259 62.300 0.267 0.000 1.036 1181 V CB -0.723 31.238 31.823 0.229 0.000 0.654 1181 V HN 0.412 nan 8.190 nan 0.000 0.451 1182 K N 0.067 120.560 120.400 0.156 0.000 2.148 1182 K HA -0.105 4.215 4.320 -0.000 0.000 0.204 1182 K C 1.878 178.548 176.600 0.116 0.000 1.050 1182 K CA 1.318 57.668 56.287 0.105 0.000 0.942 1182 K CB -0.004 32.548 32.500 0.087 0.000 0.724 1182 K HN 0.439 nan 8.250 nan 0.000 0.446 1183 V N 0.853 120.881 119.914 0.190 0.000 3.129 1183 V HA -0.080 4.039 4.120 -0.000 0.000 0.259 1183 V C 2.292 178.575 176.094 0.315 0.000 1.116 1183 V CA 1.067 63.524 62.300 0.263 0.000 1.127 1183 V CB -0.462 31.552 31.823 0.317 0.000 0.742 1183 V HN 0.314 nan 8.190 nan 0.000 0.474 1184 R N 1.793 122.489 120.500 0.327 0.000 2.052 1184 R HA -0.108 4.232 4.340 -0.000 0.000 0.224 1184 R C 2.336 178.754 176.300 0.196 0.000 1.165 1184 R CA 1.594 57.929 56.100 0.392 0.000 0.939 1184 R CB -0.562 29.965 30.300 0.377 0.000 0.834 1184 R HN 0.557 nan 8.270 nan 0.000 0.435 1185 S N -0.575 115.168 115.700 0.071 0.000 2.723 1185 S HA -0.087 4.383 4.470 -0.000 0.000 0.255 1185 S C 0.472 175.036 174.600 -0.059 0.000 0.981 1185 S CA 1.237 59.430 58.200 -0.012 0.000 0.986 1185 S CB -0.417 62.766 63.200 -0.028 0.000 0.770 1185 S HN 0.620 nan 8.310 nan 0.000 0.546 1186 T N -2.984 111.503 114.554 -0.112 0.000 3.100 1186 T HA 0.256 4.606 4.350 -0.000 0.000 0.255 1186 T C 0.886 175.310 174.700 -0.459 0.000 0.893 1186 T CA -0.231 61.653 62.100 -0.360 0.000 0.882 1186 T CB -0.162 68.323 68.868 -0.638 0.000 1.266 1186 T HN 0.495 nan 8.240 nan 0.000 0.528 1187 Y N -0.614 119.779 120.300 0.154 0.000 2.526 1187 Y HA 0.373 4.923 4.550 -0.000 0.000 0.265 1187 Y C 0.807 176.812 175.900 0.176 0.000 1.092 1187 Y CA -1.477 56.703 58.100 0.134 0.000 1.277 1187 Y CB 0.596 39.122 38.460 0.110 0.000 1.228 1187 Y HN 0.199 nan 8.280 nan 0.000 0.507 1188 W N 5.580 126.973 121.300 0.155 0.000 2.514 1188 W HA -0.019 4.641 4.660 -0.000 0.000 0.485 1188 W C -0.184 176.372 176.519 0.061 0.000 0.971 1188 W CA 0.411 57.819 57.345 0.105 0.000 1.763 1188 W CB -0.258 29.246 29.460 0.073 0.000 1.572 1188 W HN -0.005 nan 8.180 nan 0.000 0.374 1189 K N 2.323 122.805 120.400 0.136 0.000 2.159 1189 K HA -0.074 4.246 4.320 -0.000 0.000 0.242 1189 K C -0.410 176.246 176.600 0.093 0.000 1.043 1189 K CA 0.010 56.355 56.287 0.097 0.000 0.856 1189 K CB 0.338 32.853 32.500 0.025 0.000 1.072 1189 K HN 0.304 nan 8.250 nan 0.000 0.514 1190 D N -0.496 119.942 120.400 0.063 0.000 2.210 1190 D HA 0.023 4.663 4.640 -0.000 0.000 0.249 1190 D C 0.751 177.035 176.300 -0.026 0.000 1.078 1190 D CA -0.207 53.826 54.000 0.054 0.000 0.875 1190 D CB 1.186 42.013 40.800 0.045 0.000 1.175 1190 D HN 0.123 nan 8.370 nan 0.000 0.440 1191 V N 3.194 123.083 119.914 -0.042 0.000 3.244 1191 V HA -0.170 3.950 4.120 -0.000 0.000 0.273 1191 V C 1.265 177.265 176.094 -0.156 0.000 1.180 1191 V CA 2.257 64.464 62.300 -0.154 0.000 1.182 1191 V CB -0.885 30.860 31.823 -0.129 0.000 0.796 1191 V HN 0.668 nan 8.190 nan 0.000 0.543 1192 S N -2.177 113.472 115.700 -0.086 0.000 2.557 1192 S HA 0.247 4.717 4.470 -0.000 0.000 0.223 1192 S C 0.969 175.531 174.600 -0.063 0.000 0.969 1192 S CA 0.193 58.351 58.200 -0.070 0.000 0.927 1192 S CB 0.270 63.448 63.200 -0.037 0.000 0.806 1192 S HN 0.764 nan 8.310 nan 0.000 0.489 1193 E N 0.437 120.592 120.200 -0.075 0.000 2.676 1193 E HA 0.350 4.700 4.350 -0.000 0.000 0.225 1193 E C -0.542 176.011 176.600 -0.078 0.000 0.944 1193 E CA -0.147 56.219 56.400 -0.056 0.000 1.156 1193 E CB 0.684 30.366 29.700 -0.030 0.000 1.117 1193 E HN 0.516 nan 8.360 nan 0.000 0.523 1194 I N 3.269 123.757 120.570 -0.138 0.000 2.311 1194 I HA 0.022 4.192 4.170 -0.000 0.000 0.297 1194 I C 0.370 176.399 176.117 -0.147 0.000 1.131 1194 I CA -0.371 60.825 61.300 -0.174 0.000 1.289 1194 I CB -0.079 37.718 38.000 -0.339 0.000 1.446 1194 I HN 0.008 nan 8.210 nan 0.000 0.524 1195 N N 7.977 126.639 118.700 -0.064 0.000 2.454 1195 N HA -0.034 4.705 4.740 -0.000 0.000 0.285 1195 N C 1.182 176.713 175.510 0.035 0.000 1.233 1195 N CA 0.007 53.048 53.050 -0.014 0.000 1.036 1195 N CB 0.577 39.071 38.487 0.012 0.000 1.423 1195 N HN 0.501 nan 8.380 nan 0.000 0.495 1196 M N 1.533 121.148 119.600 0.026 0.000 2.195 1196 M HA -0.250 4.230 4.480 -0.000 0.000 0.254 1196 M C 0.943 177.426 176.300 0.304 0.000 1.083 1196 M CA 1.258 56.661 55.300 0.171 0.000 1.069 1196 M CB -0.872 31.821 32.600 0.155 0.000 1.364 1196 M HN 0.442 nan 8.290 nan 0.000 0.403 1197 N N 0.203 119.021 118.700 0.197 0.000 2.550 1197 N HA 0.026 4.766 4.740 -0.000 0.000 0.186 1197 N C 0.420 176.053 175.510 0.205 0.000 1.110 1197 N CA 0.465 53.634 53.050 0.199 0.000 0.912 1197 N CB 0.307 38.877 38.487 0.138 0.000 0.968 1197 N HN 0.286 nan 8.380 nan 0.000 0.448 1198 I N 1.770 122.462 120.570 0.203 0.000 2.395 1198 I HA 0.108 4.278 4.170 -0.000 0.000 0.289 1198 I C -0.243 176.041 176.117 0.279 0.000 1.023 1198 I CA -0.243 61.168 61.300 0.185 0.000 1.350 1198 I CB 0.558 38.631 38.000 0.122 0.000 1.409 1198 I HN -0.144 nan 8.210 nan 0.000 0.507 1199 N N 5.774 124.639 118.700 0.275 0.000 2.483 1199 N HA 0.422 5.162 4.740 -0.000 0.000 0.267 1199 N C -0.559 175.169 175.510 0.364 0.000 0.998 1199 N CA -0.610 52.699 53.050 0.432 0.000 0.918 1199 N CB 1.749 40.577 38.487 0.567 0.000 1.215 1199 N HN 0.418 nan 8.380 nan 0.000 0.500 1200 R N 1.432 122.150 120.500 0.363 0.000 2.445 1200 R HA 0.428 4.768 4.340 -0.000 0.000 0.308 1200 R C -1.423 175.120 176.300 0.405 0.000 0.961 1200 R CA -0.744 55.528 56.100 0.287 0.000 0.862 1200 R CB 1.370 31.749 30.300 0.133 0.000 1.144 1200 R HN 0.585 nan 8.270 nan 0.000 0.447 1201 W N 6.910 128.306 121.300 0.160 0.000 2.606 1201 W HA 0.523 5.183 4.660 -0.000 0.000 0.332 1201 W C -1.021 175.542 176.519 0.073 0.000 1.052 1201 W CA -0.716 56.715 57.345 0.143 0.000 1.223 1201 W CB 0.835 30.323 29.460 0.047 0.000 1.383 1201 W HN 0.484 nan 8.180 nan 0.000 0.524 1202 I N 4.484 124.723 120.570 -0.552 0.000 2.740 1202 I HA 1.036 5.206 4.170 -0.000 0.000 0.303 1202 I C 0.325 175.768 176.117 -1.123 0.000 1.044 1202 I CA -0.734 60.232 61.300 -0.557 0.000 1.064 1202 I CB 1.821 39.663 38.000 -0.262 0.000 1.249 1202 I HN 0.812 nan 8.210 nan 0.000 0.433 1203 G N 3.833 112.211 108.800 -0.704 0.000 2.278 1203 G HA2 0.229 4.189 3.960 -0.000 0.000 0.265 1203 G HA3 0.229 4.189 3.960 -0.000 0.000 0.265 1203 G C -1.506 173.190 174.900 -0.341 0.000 1.329 1203 G CA -0.614 44.084 45.100 -0.670 0.000 1.017 1203 G HN 1.088 nan 8.290 nan 0.000 0.472 1204 R N -1.806 118.547 120.500 -0.245 0.000 2.831 1204 R HA 0.717 5.057 4.340 -0.000 0.000 0.266 1204 R C -0.691 175.505 176.300 -0.173 0.000 1.051 1204 R CA -0.477 55.549 56.100 -0.123 0.000 0.943 1204 R CB 0.681 30.868 30.300 -0.189 0.000 1.228 1204 R HN 0.434 nan 8.270 nan 0.000 0.467 1205 T N 1.933 116.346 114.554 -0.235 0.000 3.826 1205 T HA 0.146 4.496 4.350 -0.000 0.000 0.239 1205 T C -0.722 173.675 174.700 -0.505 0.000 1.007 1205 T CA 0.487 62.301 62.100 -0.477 0.000 1.171 1205 T CB -0.610 68.109 68.868 -0.249 0.000 1.153 1205 T HN 0.451 nan 8.240 nan 0.000 0.854 1206 T N 1.013 115.206 114.554 -0.601 0.000 3.105 1206 T HA 0.224 4.574 4.350 -0.000 0.000 0.321 1206 T C 1.626 176.151 174.700 -0.291 0.000 1.135 1206 T CA -0.760 61.068 62.100 -0.454 0.000 1.053 1206 T CB 1.703 70.170 68.868 -0.669 0.000 1.133 1206 T HN 0.476 nan 8.240 nan 0.000 0.463 1207 T N -0.041 114.478 114.554 -0.059 0.000 2.653 1207 T HA -0.212 4.138 4.350 -0.000 0.000 0.267 1207 T C 1.828 176.544 174.700 0.026 0.000 1.037 1207 T CA 1.961 64.085 62.100 0.038 0.000 1.159 1207 T CB -0.616 68.260 68.868 0.013 0.000 0.859 1207 T HN 0.873 nan 8.240 nan 0.000 0.449 1208 W N 1.185 122.463 121.300 -0.036 0.000 3.077 1208 W HA 0.333 4.993 4.660 -0.000 0.000 0.245 1208 W C 0.425 176.880 176.519 -0.106 0.000 1.316 1208 W CA -0.276 57.000 57.345 -0.116 0.000 1.537 1208 W CB -0.489 28.894 29.460 -0.128 0.000 1.131 1208 W HN 0.110 nan 8.180 nan 0.000 0.695 1209 K N 1.137 121.396 120.400 -0.235 0.000 2.500 1209 K HA 0.130 4.450 4.320 -0.000 0.000 0.206 1209 K C 1.375 178.139 176.600 0.273 0.000 1.034 1209 K CA 0.347 56.556 56.287 -0.129 0.000 1.179 1209 K CB -0.367 31.981 32.500 -0.254 0.000 0.884 1209 K HN 0.265 nan 8.250 nan 0.000 0.493 1210 G N 2.767 111.630 108.800 0.105 0.000 2.416 1210 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.301 1210 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.301 1210 G C 0.567 175.547 174.900 0.133 0.000 0.985 1210 G CA 0.858 45.990 45.100 0.052 0.000 0.934 1210 G HN 0.508 nan 8.290 nan 0.000 0.513 1211 F N -2.146 117.722 119.950 -0.135 0.000 2.367 1211 F HA 0.195 4.722 4.527 -0.000 0.000 0.298 1211 F C 2.092 177.693 175.800 -0.332 0.000 1.094 1211 F CA 0.572 58.156 58.000 -0.694 0.000 1.409 1211 F CB -0.641 37.867 39.000 -0.820 0.000 1.064 1211 F HN 0.301 nan 8.300 nan 0.000 0.528 1212 Y N 0.696 120.384 120.300 -1.019 0.000 2.145 1212 Y HA -0.272 4.278 4.550 -0.000 0.000 0.286 1212 Y C 2.625 178.406 175.900 -0.198 0.000 1.145 1212 Y CA 0.983 58.724 58.100 -0.599 0.000 1.148 1212 Y CB -0.253 37.900 38.460 -0.512 0.000 0.981 1212 Y HN 0.126 nan 8.280 nan 0.000 0.507 1213 Q N -0.447 119.366 119.800 0.022 0.000 2.135 1213 Q HA -0.250 4.090 4.340 -0.000 0.000 0.204 1213 Q C 2.105 178.149 176.000 0.072 0.000 0.981 1213 Q CA 1.675 57.550 55.803 0.121 0.000 0.856 1213 Q CB -0.349 28.505 28.738 0.193 0.000 0.902 1213 Q HN 0.409 nan 8.270 nan 0.000 0.425 1214 M N -0.628 118.851 119.600 -0.201 0.000 2.200 1214 M HA -0.161 4.319 4.480 -0.000 0.000 0.261 1214 M C 1.255 177.536 176.300 -0.032 0.000 1.074 1214 M CA 1.614 56.737 55.300 -0.294 0.000 1.098 1214 M CB -0.784 31.332 32.600 -0.806 0.000 1.268 1214 M HN 0.201 nan 8.290 nan 0.000 0.432 1215 F N 0.815 120.738 119.950 -0.045 0.000 2.063 1215 F HA -0.374 4.153 4.527 -0.000 0.000 0.296 1215 F C 2.387 178.231 175.800 0.072 0.000 1.093 1215 F CA 2.347 60.362 58.000 0.025 0.000 1.229 1215 F CB -1.805 37.160 39.000 -0.058 0.000 0.971 1215 F HN 0.337 nan 8.300 nan 0.000 0.491 1216 D N -0.599 119.971 120.400 0.283 0.000 2.126 1216 D HA -0.263 4.377 4.640 -0.000 0.000 0.190 1216 D C 2.206 178.675 176.300 0.281 0.000 1.001 1216 D CA 1.410 55.542 54.000 0.219 0.000 0.841 1216 D CB -0.620 40.318 40.800 0.229 0.000 0.949 1216 D HN 0.194 nan 8.370 nan 0.000 0.446 1217 F N 0.815 120.892 119.950 0.212 0.000 2.069 1217 F HA -0.182 4.345 4.527 -0.000 0.000 0.298 1217 F C 2.481 178.401 175.800 0.199 0.000 1.113 1217 F CA 2.207 60.353 58.000 0.243 0.000 1.214 1217 F CB -0.792 38.340 39.000 0.219 0.000 0.978 1217 F HN 0.214 nan 8.300 nan 0.000 0.474 1218 H N -0.964 118.204 119.070 0.165 0.000 2.541 1218 H HA -0.148 4.408 4.556 -0.000 0.000 0.289 1218 H C 2.165 177.482 175.328 -0.018 0.000 1.054 1218 H CA 1.154 57.227 56.048 0.042 0.000 1.250 1218 H CB 0.055 29.881 29.762 0.108 0.000 1.369 1218 H HN 0.533 nan 8.280 nan 0.000 0.578 1219 E N 0.672 120.876 120.200 0.006 0.000 2.065 1219 E HA -0.056 4.294 4.350 -0.000 0.000 0.191 1219 E C 1.679 178.157 176.600 -0.203 0.000 0.960 1219 E CA -0.066 56.258 56.400 -0.128 0.000 0.824 1219 E CB 0.286 29.943 29.700 -0.072 0.000 0.793 1219 E HN 0.323 nan 8.360 nan 0.000 0.459 1220 K N -0.824 119.444 120.400 -0.221 0.000 2.504 1220 K HA -0.029 4.291 4.320 -0.000 0.000 0.195 1220 K C 0.506 176.423 176.600 -1.138 0.000 1.036 1220 K CA 0.785 56.719 56.287 -0.589 0.000 0.984 1220 K CB 0.276 32.439 32.500 -0.561 0.000 0.788 1220 K HN 0.153 nan 8.250 nan 0.000 0.488 1221 F N -2.234 117.419 119.950 -0.495 0.000 1.769 1221 F HA 0.061 4.588 4.527 -0.000 0.000 0.246 1221 F C 1.525 176.889 175.800 -0.727 0.000 1.187 1221 F CA -0.515 57.032 58.000 -0.756 0.000 1.306 1221 F CB -0.280 37.891 39.000 -1.383 0.000 1.792 1221 F HN -0.265 nan 8.300 nan 0.000 0.401 1222 L N 1.097 122.023 121.223 -0.494 0.000 1.997 1222 L HA -0.288 4.051 4.340 -0.000 0.000 0.216 1222 L C 2.409 179.335 176.870 0.093 0.000 1.074 1222 L CA 2.084 56.822 54.840 -0.170 0.000 0.763 1222 L CB -0.622 41.461 42.059 0.040 0.000 0.890 1222 L HN 0.209 nan 8.230 nan 0.000 0.434 1223 K N -0.437 120.062 120.400 0.165 0.000 2.025 1223 K HA -0.140 4.179 4.320 -0.000 0.000 0.207 1223 K C -0.266 176.335 176.600 0.001 0.000 1.049 1223 K CA 1.265 57.590 56.287 0.063 0.000 0.933 1223 K CB -0.684 31.681 32.500 -0.225 0.000 0.714 1223 K HN 0.164 nan 8.250 nan 0.000 0.438 1224 P HA -0.162 nan 4.420 nan 0.000 0.211 1224 P C 0.567 177.880 177.300 0.022 0.000 1.179 1224 P CA 1.766 64.836 63.100 -0.050 0.000 0.910 1224 P CB -0.054 31.577 31.700 -0.115 0.000 0.785 1225 A N -1.039 121.818 122.820 0.062 0.000 2.276 1225 A HA 0.225 4.545 4.320 -0.000 0.000 0.205 1225 A C 1.740 179.411 177.584 0.145 0.000 1.234 1225 A CA 1.206 53.344 52.037 0.168 0.000 0.797 1225 A CB -1.828 17.410 19.000 0.397 0.000 0.769 1225 A HN 0.330 nan 8.150 nan 0.000 0.491 1226 G N -1.099 107.764 108.800 0.104 0.000 2.212 1226 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.266 1226 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.266 1226 G C 0.558 175.531 174.900 0.123 0.000 0.978 1226 G CA 0.757 45.919 45.100 0.103 0.000 0.632 1226 G HN 0.524 nan 8.290 nan 0.000 0.537 1227 K N 0.446 120.933 120.400 0.145 0.000 2.143 1227 K HA 0.579 4.899 4.320 -0.000 0.000 0.239 1227 K C 0.457 177.137 176.600 0.135 0.000 1.048 1227 K CA 0.306 56.682 56.287 0.148 0.000 0.867 1227 K CB 0.359 32.958 32.500 0.165 0.000 1.088 1227 K HN 0.253 nan 8.250 nan 0.000 0.510 1228 S N -0.478 115.279 115.700 0.095 0.000 2.570 1228 S HA 0.483 4.953 4.470 -0.000 0.000 0.286 1228 S C -0.905 173.648 174.600 -0.078 0.000 1.099 1228 S CA -0.731 57.495 58.200 0.044 0.000 0.913 1228 S CB 2.091 65.339 63.200 0.079 0.000 1.085 1228 S HN 0.466 nan 8.310 nan 0.000 0.480 1229 T N 1.667 116.067 114.554 -0.257 0.000 2.886 1229 T HA 0.635 4.985 4.350 -0.000 0.000 0.292 1229 T C -1.194 173.493 174.700 -0.022 0.000 1.012 1229 T CA -0.456 61.504 62.100 -0.233 0.000 0.982 1229 T CB 1.432 69.920 68.868 -0.633 0.000 1.018 1229 T HN 0.357 nan 8.240 nan 0.000 0.451 1230 V N 3.997 123.956 119.914 0.075 0.000 2.638 1230 V HA 0.552 4.672 4.120 -0.000 0.000 0.306 1230 V C -0.696 175.504 176.094 0.176 0.000 1.052 1230 V CA -0.761 61.617 62.300 0.130 0.000 0.885 1230 V CB 1.912 33.797 31.823 0.102 0.000 0.999 1230 V HN 0.872 nan 8.190 nan 0.000 0.424 1231 M N 4.046 123.768 119.600 0.202 0.000 2.046 1231 M HA 0.471 4.951 4.480 -0.000 0.000 0.309 1231 M C -0.389 176.117 176.300 0.345 0.000 0.935 1231 M CA -0.193 55.304 55.300 0.328 0.000 0.915 1231 M CB 1.611 34.278 32.600 0.111 0.000 1.474 1231 M HN 0.599 nan 8.290 nan 0.000 0.415 1232 E N 0.968 121.361 120.200 0.321 0.000 2.277 1232 E HA 0.609 4.959 4.350 -0.000 0.000 0.274 1232 E C 0.788 177.655 176.600 0.445 0.000 1.022 1232 E CA 0.142 56.708 56.400 0.277 0.000 0.853 1232 E CB 1.571 31.266 29.700 -0.009 0.000 1.086 1232 E HN 0.940 nan 8.360 nan 0.000 0.397 1233 G N 2.225 111.286 108.800 0.436 0.000 2.307 1233 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.210 1233 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.210 1233 G C 0.235 175.240 174.900 0.174 0.000 1.005 1233 G CA -0.594 44.654 45.100 0.247 0.000 0.634 1233 G HN 0.446 nan 8.290 nan 0.000 0.496 1234 L N 2.224 123.614 121.223 0.278 0.000 2.638 1234 L HA 0.264 4.604 4.340 -0.000 0.000 0.273 1234 L C 0.878 177.851 176.870 0.172 0.000 1.147 1234 L CA 0.231 55.208 54.840 0.228 0.000 0.941 1234 L CB 0.490 42.758 42.059 0.348 0.000 1.251 1234 L HN 0.418 nan 8.230 nan 0.000 0.479 1235 E N 3.775 124.007 120.200 0.054 0.000 2.319 1235 E HA 0.154 4.504 4.350 -0.000 0.000 0.268 1235 E C 0.155 176.670 176.600 -0.143 0.000 1.050 1235 E CA -0.746 55.648 56.400 -0.010 0.000 0.878 1235 E CB 0.810 30.493 29.700 -0.030 0.000 1.066 1235 E HN 0.450 nan 8.360 nan 0.000 0.406 1236 R N 1.932 122.251 120.500 -0.303 0.000 2.823 1236 R HA 0.077 4.417 4.340 -0.000 0.000 0.250 1236 R C 0.502 176.702 176.300 -0.166 0.000 1.332 1236 R CA -0.162 55.607 56.100 -0.551 0.000 1.259 1236 R CB -0.546 29.357 30.300 -0.661 0.000 1.225 1236 R HN 0.359 nan 8.270 nan 0.000 0.545 1237 S N 0.502 116.167 115.700 -0.057 0.000 2.587 1237 S HA 0.084 4.554 4.470 -0.000 0.000 0.260 1237 S C -1.504 173.121 174.600 0.042 0.000 1.353 1237 S CA -1.072 57.121 58.200 -0.011 0.000 0.995 1237 S CB 0.691 63.882 63.200 -0.015 0.000 0.912 1237 S HN -0.099 nan 8.310 nan 0.000 0.568 1238 P HA -0.136 nan 4.420 nan 0.000 0.218 1238 P C 1.435 178.770 177.300 0.058 0.000 1.146 1238 P CA 1.919 65.044 63.100 0.043 0.000 0.820 1238 P CB -0.319 31.395 31.700 0.024 0.000 0.778 1239 A N -2.007 120.838 122.820 0.042 0.000 2.070 1239 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 1239 A C 1.937 179.553 177.584 0.053 0.000 1.159 1239 A CA 1.094 53.144 52.037 0.021 0.000 0.656 1239 A CB -1.708 17.261 19.000 -0.053 0.000 0.800 1239 A HN 0.138 nan 8.150 nan 0.000 0.453 1240 F N 0.469 120.382 119.950 -0.061 0.000 2.259 1240 F HA -0.020 4.507 4.527 -0.000 0.000 0.298 1240 F C 1.850 177.643 175.800 -0.013 0.000 1.088 1240 F CA 0.988 58.954 58.000 -0.057 0.000 1.358 1240 F CB -0.123 38.803 39.000 -0.123 0.000 1.040 1240 F HN 0.176 nan 8.300 nan 0.000 0.505 1241 I N -0.227 120.401 120.570 0.095 0.000 2.657 1241 I HA -0.323 3.847 4.170 -0.000 0.000 0.261 1241 I C 2.412 178.526 176.117 -0.005 0.000 1.212 1241 I CA 0.919 62.248 61.300 0.048 0.000 1.453 1241 I CB -0.957 37.075 38.000 0.053 0.000 1.092 1241 I HN 0.169 nan 8.210 nan 0.000 0.452 1242 A N 1.287 124.103 122.820 -0.007 0.000 1.898 1242 A HA -0.056 4.264 4.320 -0.000 0.000 0.214 1242 A C 2.271 179.847 177.584 -0.014 0.000 1.183 1242 A CA 0.949 53.011 52.037 0.042 0.000 0.622 1242 A CB -0.441 18.647 19.000 0.148 0.000 0.824 1242 A HN 0.328 nan 8.150 nan 0.000 0.444 1243 I N -0.187 120.287 120.570 -0.160 0.000 2.142 1243 I HA -0.290 3.880 4.170 -0.000 0.000 0.240 1243 I C 2.464 178.427 176.117 -0.257 0.000 1.078 1243 I CA 1.670 62.784 61.300 -0.310 0.000 1.343 1243 I CB -0.395 37.121 38.000 -0.807 0.000 1.046 1243 I HN 0.278 nan 8.210 nan 0.000 0.405 1244 K N 0.877 121.140 120.400 -0.228 0.000 2.020 1244 K HA -0.226 4.094 4.320 -0.000 0.000 0.212 1244 K C 2.015 178.593 176.600 -0.037 0.000 1.050 1244 K CA 1.821 58.089 56.287 -0.032 0.000 0.929 1244 K CB -0.291 32.238 32.500 0.049 0.000 0.714 1244 K HN 0.385 nan 8.250 nan 0.000 0.443 1245 E N 0.731 120.907 120.200 -0.041 0.000 2.153 1245 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 1245 E C 1.770 178.334 176.600 -0.060 0.000 0.988 1245 E CA 0.867 57.247 56.400 -0.034 0.000 0.811 1245 E CB 0.033 29.724 29.700 -0.016 0.000 0.746 1245 E HN 0.193 nan 8.360 nan 0.000 0.466 1246 K N 0.484 120.828 120.400 -0.093 0.000 2.487 1246 K HA 0.003 4.323 4.320 -0.000 0.000 0.192 1246 K C 0.330 176.839 176.600 -0.152 0.000 1.027 1246 K CA 0.523 56.726 56.287 -0.140 0.000 1.054 1246 K CB 0.039 32.406 32.500 -0.221 0.000 0.824 1246 K HN 0.151 nan 8.250 nan 0.000 0.510 1247 G N 2.176 110.906 108.800 -0.116 0.000 2.354 1247 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.278 1247 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.278 1247 G C -0.324 174.493 174.900 -0.138 0.000 0.953 1247 G CA 0.280 45.319 45.100 -0.100 0.000 1.346 1247 G HN 0.327 nan 8.290 nan 0.000 0.467 1248 I N 2.601 123.077 120.570 -0.157 0.000 2.441 1248 I HA 0.381 4.551 4.170 -0.000 0.000 0.295 1248 I C -1.636 174.436 176.117 -0.074 0.000 0.994 1248 I CA -2.543 58.621 61.300 -0.227 0.000 1.144 1248 I CB 2.289 39.958 38.000 -0.551 0.000 1.314 1248 I HN 0.115 nan 8.210 nan 0.000 0.445 1249 P HA 0.219 nan 4.420 nan 0.000 0.282 1249 P C -1.672 175.684 177.300 0.092 0.000 1.274 1249 P CA 0.145 63.208 63.100 -0.061 0.000 0.770 1249 P CB 0.372 32.031 31.700 -0.068 0.000 0.867 1250 Y N -1.185 119.153 120.300 0.064 0.000 2.624 1250 Y HA 0.628 5.178 4.550 -0.000 0.000 0.334 1250 Y C -1.390 174.604 175.900 0.156 0.000 1.155 1250 Y CA -1.416 56.799 58.100 0.191 0.000 1.046 1250 Y CB 1.269 39.903 38.460 0.290 0.000 1.316 1250 Y HN 0.298 nan 8.280 nan 0.000 0.457 1251 E N 1.440 121.799 120.200 0.267 0.000 2.210 1251 E HA 0.343 4.693 4.350 -0.000 0.000 0.266 1251 E C -2.223 174.377 176.600 0.001 0.000 0.883 1251 E CA -1.063 55.330 56.400 -0.012 0.000 0.761 1251 E CB 1.652 31.324 29.700 -0.046 0.000 1.156 1251 E HN 0.685 nan 8.360 nan 0.000 0.412 1252 Y N 3.897 124.072 120.300 -0.208 0.000 2.369 1252 Y HA 0.303 4.853 4.550 -0.000 0.000 0.337 1252 Y C -1.443 174.254 175.900 -0.339 0.000 0.961 1252 Y CA -0.401 57.631 58.100 -0.112 0.000 1.186 1252 Y CB 0.469 39.014 38.460 0.141 0.000 1.139 1252 Y HN 0.442 nan 8.280 nan 0.000 0.494 1253 Y N 3.203 123.396 120.300 -0.179 0.000 2.429 1253 Y HA 0.636 5.186 4.550 -0.000 0.000 0.342 1253 Y C 0.798 176.582 175.900 -0.193 0.000 1.004 1253 Y CA -0.849 57.194 58.100 -0.094 0.000 1.075 1253 Y CB 1.492 39.930 38.460 -0.036 0.000 1.214 1253 Y HN 0.670 nan 8.280 nan 0.000 0.455 1254 G N 0.758 109.609 108.800 0.085 0.000 2.582 1254 G HA2 0.031 3.991 3.960 -0.000 0.000 0.232 1254 G HA3 0.031 3.991 3.960 -0.000 0.000 0.232 1254 G C 0.429 175.365 174.900 0.060 0.000 1.458 1254 G CA -0.523 44.606 45.100 0.049 0.000 1.062 1254 G HN 0.677 nan 8.290 nan 0.000 0.566 1255 N N -0.883 117.850 118.700 0.055 0.000 2.282 1255 N HA 0.041 4.781 4.740 -0.000 0.000 0.185 1255 N C 2.023 177.559 175.510 0.044 0.000 1.099 1255 N CA -0.042 53.038 53.050 0.049 0.000 0.878 1255 N CB 0.749 39.265 38.487 0.049 0.000 0.993 1255 N HN 0.337 nan 8.380 nan 0.000 0.481 1256 R N 0.873 121.403 120.500 0.051 0.000 2.246 1256 R HA 0.095 4.435 4.340 -0.000 0.000 0.199 1256 R C 0.148 176.478 176.300 0.049 0.000 0.984 1256 R CA 0.666 56.793 56.100 0.045 0.000 1.015 1256 R CB 0.265 30.593 30.300 0.047 0.000 0.930 1256 R HN 0.264 nan 8.270 nan 0.000 0.475 1257 E N 0.403 120.643 120.200 0.067 0.000 2.989 1257 E HA 0.099 4.449 4.350 -0.000 0.000 0.207 1257 E C 0.626 177.252 176.600 0.044 0.000 0.989 1257 E CA -0.129 56.319 56.400 0.080 0.000 1.186 1257 E CB 0.476 30.264 29.700 0.148 0.000 1.141 1257 E HN 0.191 nan 8.360 nan 0.000 0.454 1258 I N 1.334 121.904 120.570 0.001 0.000 2.546 1258 I HA -0.229 3.941 4.170 -0.000 0.000 0.255 1258 I C 1.462 177.497 176.117 -0.136 0.000 1.163 1258 I CA 1.578 62.840 61.300 -0.063 0.000 1.457 1258 I CB 0.232 38.213 38.000 -0.032 0.000 1.092 1258 I HN 0.157 nan 8.210 nan 0.000 0.434 1259 D N 0.731 121.081 120.400 -0.083 0.000 2.084 1259 D HA -0.269 4.371 4.640 -0.000 0.000 0.194 1259 D C 1.605 177.834 176.300 -0.119 0.000 0.990 1259 D CA 1.157 55.108 54.000 -0.080 0.000 0.826 1259 D CB -0.535 40.245 40.800 -0.033 0.000 0.971 1259 D HN 0.246 nan 8.370 nan 0.000 0.453 1260 K N -0.169 120.171 120.400 -0.101 0.000 2.664 1260 K HA -0.027 4.293 4.320 -0.000 0.000 0.193 1260 K C 0.370 176.810 176.600 -0.266 0.000 1.028 1260 K CA -0.002 56.237 56.287 -0.080 0.000 1.005 1260 K CB -0.434 32.097 32.500 0.052 0.000 0.815 1260 K HN 0.352 nan 8.250 nan 0.000 0.496 1261 M N 2.413 121.703 119.600 -0.516 0.000 2.350 1261 M HA -0.022 4.457 4.480 -0.000 0.000 0.338 1261 M C -0.204 175.919 176.300 -0.295 0.000 1.559 1261 M CA 0.196 54.987 55.300 -0.848 0.000 1.217 1261 M CB -0.052 32.127 32.600 -0.701 0.000 1.808 1261 M HN 0.124 nan 8.290 nan 0.000 0.458 1262 N N 4.835 123.476 118.700 -0.098 0.000 2.383 1262 N HA -0.027 4.713 4.740 -0.000 0.000 0.295 1262 N C 0.639 176.171 175.510 0.037 0.000 1.281 1262 N CA -0.273 52.797 53.050 0.033 0.000 1.048 1262 N CB 0.291 38.855 38.487 0.128 0.000 1.455 1262 N HN 0.766 nan 8.380 nan 0.000 0.488 1263 L N 2.147 123.372 121.223 0.003 0.000 2.376 1263 L HA 0.040 4.380 4.340 -0.000 0.000 0.219 1263 L C 1.387 178.288 176.870 0.051 0.000 1.133 1263 L CA -0.248 54.605 54.840 0.022 0.000 0.816 1263 L CB -0.506 41.554 42.059 0.001 0.000 0.933 1263 L HN 0.483 nan 8.230 nan 0.000 0.449 1264 A N 0.555 123.407 122.820 0.052 0.000 2.547 1264 A HA 0.210 4.530 4.320 -0.000 0.000 0.233 1264 A C -2.026 175.607 177.584 0.081 0.000 1.067 1264 A CA -0.813 51.260 52.037 0.060 0.000 0.763 1264 A CB -0.517 18.514 19.000 0.052 0.000 1.007 1264 A HN -0.021 nan 8.150 nan 0.000 0.506 1265 P HA 0.022 nan 4.420 nan 0.000 0.272 1265 P C -0.371 176.987 177.300 0.097 0.000 1.248 1265 P CA 0.054 63.211 63.100 0.095 0.000 0.799 1265 P CB 0.158 31.906 31.700 0.080 0.000 0.997 1266 N N 0.067 118.830 118.700 0.106 0.000 2.614 1266 N HA -0.174 4.566 4.740 -0.000 0.000 0.276 1266 N C -0.685 174.879 175.510 0.090 0.000 1.119 1266 N CA 1.043 54.141 53.050 0.080 0.000 0.742 1266 N CB -0.861 37.654 38.487 0.047 0.000 0.900 1266 N HN 0.415 nan 8.380 nan 0.000 0.549 1267 Q N -0.576 119.309 119.800 0.141 0.000 2.511 1267 Q HA 0.559 4.898 4.340 -0.000 0.000 0.289 1267 Q C -2.403 173.709 176.000 0.187 0.000 1.021 1267 Q CA -1.165 54.730 55.803 0.153 0.000 0.785 1267 Q CB 2.456 31.306 28.738 0.187 0.000 1.472 1267 Q HN 0.131 nan 8.270 nan 0.000 0.411 1268 P HA 0.248 nan 4.420 nan 0.000 0.279 1268 P C -0.880 176.708 177.300 0.479 0.000 1.282 1268 P CA -0.301 62.904 63.100 0.175 0.000 0.788 1268 P CB 0.451 32.223 31.700 0.121 0.000 1.139 1269 A N 1.129 124.301 122.820 0.587 0.000 2.477 1269 A HA 0.119 4.439 4.320 -0.000 0.000 0.246 1269 A C 0.449 178.302 177.584 0.448 0.000 1.078 1269 A CA -0.084 52.301 52.037 0.579 0.000 0.770 1269 A CB -0.449 18.913 19.000 0.603 0.000 1.011 1269 A HN 0.404 nan 8.150 nan 0.000 0.494 1270 Q N 2.005 122.016 119.800 0.353 0.000 2.349 1270 Q HA 0.315 4.655 4.340 -0.000 0.000 0.254 1270 Q C -0.409 175.803 176.000 0.354 0.000 0.980 1270 Q CA -0.175 55.878 55.803 0.416 0.000 0.924 1270 Q CB 1.122 30.091 28.738 0.385 0.000 1.209 1270 Q HN 0.562 nan 8.270 nan 0.000 0.445 1271 I N 3.409 124.197 120.570 0.363 0.000 2.440 1271 I HA 0.334 4.504 4.170 -0.000 0.000 0.294 1271 I C -0.003 176.108 176.117 -0.010 0.000 0.995 1271 I CA -0.883 60.562 61.300 0.243 0.000 1.306 1271 I CB 1.021 39.270 38.000 0.415 0.000 1.407 1271 I HN 0.403 nan 8.210 nan 0.000 0.501 1272 L N 6.660 127.871 121.223 -0.019 0.000 2.404 1272 L HA 0.413 4.753 4.340 -0.000 0.000 0.272 1272 L C -0.041 176.797 176.870 -0.053 0.000 0.980 1272 L CA -0.415 54.366 54.840 -0.099 0.000 0.836 1272 L CB 1.052 43.145 42.059 0.057 0.000 1.238 1272 L HN 0.659 nan 8.230 nan 0.000 0.408 1273 D N 2.750 123.041 120.400 -0.181 0.000 2.025 1273 D HA -0.042 4.598 4.640 -0.000 0.000 0.270 1273 D C -0.046 176.292 176.300 0.063 0.000 1.135 1273 D CA -0.042 53.981 54.000 0.038 0.000 0.978 1273 D CB -0.363 40.520 40.800 0.139 0.000 1.178 1273 D HN 0.582 nan 8.370 nan 0.000 0.487 1274 C N 1.092 120.395 119.300 0.006 0.000 2.551 1274 C HA 0.205 4.665 4.460 -0.000 0.000 0.400 1274 C C 0.056 175.018 174.990 -0.046 0.000 1.460 1274 C CA -0.507 58.453 59.018 -0.096 0.000 1.447 1274 C CB -2.660 25.036 27.740 -0.074 0.000 2.401 1274 C HN 0.443 nan 8.230 nan 0.000 0.623 1275 Y N 3.065 123.349 120.300 -0.027 0.000 2.596 1275 Y HA 0.847 5.397 4.550 -0.000 0.000 0.326 1275 Y C -0.066 175.795 175.900 -0.065 0.000 1.167 1275 Y CA -2.310 55.766 58.100 -0.040 0.000 1.246 1275 Y CB 0.265 38.699 38.460 -0.044 0.000 1.347 1275 Y HN 0.326 nan 8.280 nan 0.000 0.515 1276 I N 2.322 123.063 120.570 0.284 0.000 2.440 1276 I HA 0.078 4.248 4.170 -0.000 0.000 0.294 1276 I C 1.227 177.481 176.117 0.229 0.000 0.995 1276 I CA -0.271 61.110 61.300 0.134 0.000 1.306 1276 I CB 1.222 39.259 38.000 0.063 0.000 1.407 1276 I HN 0.939 nan 8.210 nan 0.000 0.501 1277 N N 3.091 121.804 118.700 0.022 0.000 2.188 1277 N HA -0.151 4.589 4.740 -0.000 0.000 0.184 1277 N C 1.474 176.945 175.510 -0.065 0.000 1.018 1277 N CA 1.645 54.690 53.050 -0.007 0.000 0.858 1277 N CB 0.502 38.813 38.487 -0.293 0.000 0.989 1277 N HN 0.698 nan 8.380 nan 0.000 0.426 1278 S N 0.584 116.257 115.700 -0.046 0.000 2.371 1278 S HA -0.040 4.430 4.470 -0.000 0.000 0.224 1278 S C 1.669 176.175 174.600 -0.158 0.000 1.029 1278 S CA 0.698 58.864 58.200 -0.056 0.000 0.978 1278 S CB -0.340 62.910 63.200 0.082 0.000 0.833 1278 S HN 0.399 nan 8.310 nan 0.000 0.466 1279 E N 1.116 121.268 120.200 -0.081 0.000 2.072 1279 E HA -0.080 4.270 4.350 -0.000 0.000 0.191 1279 E C 2.148 178.636 176.600 -0.187 0.000 0.985 1279 E CA 1.007 57.350 56.400 -0.094 0.000 0.801 1279 E CB -0.273 29.407 29.700 -0.034 0.000 0.750 1279 E HN 0.379 nan 8.360 nan 0.000 0.452 1280 M N 1.256 120.709 119.600 -0.244 0.000 2.065 1280 M HA -0.179 4.300 4.480 -0.000 0.000 0.259 1280 M C 2.215 178.313 176.300 -0.335 0.000 1.071 1280 M CA 1.637 56.700 55.300 -0.395 0.000 1.109 1280 M CB -0.527 31.621 32.600 -0.753 0.000 1.313 1280 M HN 0.121 nan 8.290 nan 0.000 0.408 1281 L N 0.302 121.302 121.223 -0.372 0.000 2.081 1281 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 1281 L C 2.445 179.036 176.870 -0.466 0.000 1.080 1281 L CA 1.637 56.221 54.840 -0.426 0.000 0.754 1281 L CB -0.939 40.743 42.059 -0.629 0.000 0.893 1281 L HN 0.346 nan 8.230 nan 0.000 0.433 1282 E N 1.084 120.972 120.200 -0.519 0.000 2.007 1282 E HA -0.243 4.107 4.350 -0.000 0.000 0.203 1282 E C 2.228 178.760 176.600 -0.112 0.000 1.020 1282 E CA 1.785 58.037 56.400 -0.247 0.000 0.845 1282 E CB -0.164 29.463 29.700 -0.122 0.000 0.779 1282 E HN 0.251 nan 8.360 nan 0.000 0.466 1283 R N -0.583 119.848 120.500 -0.115 0.000 2.117 1283 R HA -0.164 4.176 4.340 -0.000 0.000 0.243 1283 R C 2.460 178.716 176.300 -0.073 0.000 1.143 1283 R CA 1.752 57.806 56.100 -0.078 0.000 0.968 1283 R CB -0.528 29.721 30.300 -0.085 0.000 0.863 1283 R HN 0.296 nan 8.270 nan 0.000 0.444 1284 M N 1.071 120.606 119.600 -0.108 0.000 2.460 1284 M HA -0.074 4.406 4.480 -0.000 0.000 0.263 1284 M C 1.529 177.783 176.300 -0.077 0.000 1.071 1284 M CA 1.480 56.728 55.300 -0.086 0.000 1.096 1284 M CB 0.122 32.655 32.600 -0.112 0.000 1.408 1284 M HN 0.079 nan 8.290 nan 0.000 0.463 1285 S N -1.962 113.697 115.700 -0.067 0.000 2.556 1285 S HA 0.177 4.647 4.470 -0.000 0.000 0.216 1285 S C 1.207 175.771 174.600 -0.060 0.000 0.970 1285 S CA -0.282 57.884 58.200 -0.056 0.000 0.912 1285 S CB -0.202 63.030 63.200 0.053 0.000 0.790 1285 S HN 0.582 nan 8.310 nan 0.000 0.504 1286 K N 0.858 121.229 120.400 -0.048 0.000 2.469 1286 K HA 0.342 4.662 4.320 -0.000 0.000 0.204 1286 K C -0.546 176.030 176.600 -0.041 0.000 1.047 1286 K CA -0.091 56.171 56.287 -0.043 0.000 1.072 1286 K CB 1.134 33.622 32.500 -0.021 0.000 0.863 1286 K HN 0.158 nan 8.250 nan 0.000 0.530 1287 S N -0.288 115.389 115.700 -0.038 0.000 2.549 1287 S HA 0.313 4.783 4.470 -0.000 0.000 0.297 1287 S C 1.148 175.750 174.600 0.003 0.000 1.115 1287 S CA -0.660 57.541 58.200 0.002 0.000 1.059 1287 S CB 1.759 64.974 63.200 0.025 0.000 1.046 1287 S HN 0.354 nan 8.310 nan 0.000 0.506 1288 G N 1.349 110.202 108.800 0.087 0.000 2.480 1288 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.216 1288 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.216 1288 G C -0.204 174.572 174.900 -0.207 0.000 1.200 1288 G CA 1.228 46.396 45.100 0.114 0.000 0.782 1288 G HN 0.502 nan 8.290 nan 0.000 0.554 1289 F N -1.212 118.771 119.950 0.056 0.000 2.588 1289 F HA 0.634 5.161 4.527 -0.000 0.000 0.310 1289 F C 0.309 176.025 175.800 -0.140 0.000 1.082 1289 F CA -1.150 56.789 58.000 -0.102 0.000 0.929 1289 F CB 1.984 40.854 39.000 -0.218 0.000 1.254 1289 F HN 0.170 nan 8.300 nan 0.000 0.455 1290 G N 1.307 110.073 108.800 -0.056 0.000 2.437 1290 G HA2 0.538 4.498 3.960 -0.000 0.000 0.315 1290 G HA3 0.538 4.498 3.960 -0.000 0.000 0.315 1290 G C -1.907 172.984 174.900 -0.015 0.000 1.210 1290 G CA -0.347 44.757 45.100 0.006 0.000 0.943 1290 G HN 0.411 nan 8.290 nan 0.000 0.471 1291 Y N 0.840 121.273 120.300 0.220 0.000 2.387 1291 Y HA 0.621 5.171 4.550 -0.000 0.000 0.330 1291 Y C 0.592 176.560 175.900 0.114 0.000 1.133 1291 Y CA -0.545 57.700 58.100 0.241 0.000 1.152 1291 Y CB 2.234 40.870 38.460 0.293 0.000 1.215 1291 Y HN 0.345 nan 8.280 nan 0.000 0.466 1292 Q N 3.397 123.399 119.800 0.336 0.000 2.821 1292 Q HA 0.228 4.568 4.340 -0.000 0.000 0.217 1292 Q C -2.130 174.011 176.000 0.235 0.000 0.775 1292 Q CA -0.322 55.523 55.803 0.069 0.000 0.930 1292 Q CB 0.927 29.672 28.738 0.011 0.000 1.511 1292 Q HN 0.798 nan 8.270 nan 0.000 0.457 1293 L N 1.813 123.163 121.223 0.213 0.000 2.828 1293 L HA 0.359 4.699 4.340 -0.000 0.000 0.233 1293 L C 0.462 177.378 176.870 0.078 0.000 1.250 1293 L CA -0.076 54.945 54.840 0.303 0.000 1.125 1293 L CB 0.943 43.182 42.059 0.300 0.000 1.432 1293 L HN 0.266 nan 8.230 nan 0.000 0.444 1294 S N 1.639 117.394 115.700 0.091 0.000 3.024 1294 S HA 0.042 4.512 4.470 -0.000 0.000 0.316 1294 S C 1.138 175.726 174.600 -0.020 0.000 1.197 1294 S CA -0.361 57.879 58.200 0.068 0.000 1.097 1294 S CB -0.324 62.916 63.200 0.068 0.000 1.471 1294 S HN 0.534 nan 8.310 nan 0.000 0.543 1295 K N 2.459 122.651 120.400 -0.347 0.000 3.025 1295 K HA 0.148 4.467 4.320 -0.000 0.000 0.260 1295 K C 0.263 176.747 176.600 -0.193 0.000 1.023 1295 K CA -0.371 55.517 56.287 -0.665 0.000 1.194 1295 K CB -0.084 31.605 32.500 -1.351 0.000 1.094 1295 K HN 0.364 nan 8.250 nan 0.000 0.460 1296 L N 2.503 123.668 121.223 -0.097 0.000 2.543 1296 L HA -0.043 4.297 4.340 -0.000 0.000 0.285 1296 L C 0.734 177.528 176.870 -0.128 0.000 1.236 1296 L CA 0.846 55.543 54.840 -0.238 0.000 0.871 1296 L CB 0.062 41.872 42.059 -0.415 0.000 1.121 1296 L HN 0.620 nan 8.230 nan 0.000 0.501 1297 N N 3.097 121.741 118.700 -0.094 0.000 2.237 1297 N HA -0.127 4.613 4.740 -0.000 0.000 0.222 1297 N C 0.751 176.194 175.510 -0.112 0.000 1.311 1297 N CA 0.168 53.177 53.050 -0.068 0.000 0.880 1297 N CB 0.596 39.032 38.487 -0.086 0.000 1.106 1297 N HN 0.680 nan 8.380 nan 0.000 0.435 1298 Q N 2.205 121.929 119.800 -0.128 0.000 2.123 1298 Q HA -0.137 4.203 4.340 -0.000 0.000 0.196 1298 Q C 1.548 177.440 176.000 -0.179 0.000 0.958 1298 Q CA 1.481 57.213 55.803 -0.118 0.000 0.841 1298 Q CB -0.269 28.424 28.738 -0.076 0.000 0.915 1298 Q HN 0.796 nan 8.270 nan 0.000 0.455 1299 K N -0.346 119.872 120.400 -0.304 0.000 2.127 1299 K HA -0.195 4.125 4.320 -0.000 0.000 0.208 1299 K C 1.512 177.938 176.600 -0.290 0.000 1.047 1299 K CA 1.888 57.967 56.287 -0.348 0.000 0.927 1299 K CB -0.760 31.430 32.500 -0.515 0.000 0.716 1299 K HN 0.228 nan 8.250 nan 0.000 0.450 1300 Y N 1.264 121.502 120.300 -0.103 0.000 2.544 1300 Y HA 0.229 4.779 4.550 -0.000 0.000 0.286 1300 Y C 0.933 176.765 175.900 -0.114 0.000 1.141 1300 Y CA -0.109 57.937 58.100 -0.090 0.000 1.299 1300 Y CB -0.042 38.194 38.460 -0.375 0.000 1.030 1300 Y HN -0.082 nan 8.280 nan 0.000 0.543 1301 L N 0.768 121.971 121.223 -0.032 0.000 2.292 1301 L HA 0.262 4.601 4.340 -0.000 0.000 0.284 1301 L C 0.905 177.766 176.870 -0.015 0.000 1.065 1301 L CA 0.220 55.034 54.840 -0.044 0.000 0.806 1301 L CB 1.651 43.670 42.059 -0.065 0.000 1.175 1301 L HN 0.133 nan 8.230 nan 0.000 0.431 1302 Q N 1.691 121.490 119.800 -0.001 0.000 2.353 1302 Q HA 0.198 4.538 4.340 -0.000 0.000 0.226 1302 Q C 1.158 177.170 176.000 0.020 0.000 0.741 1302 Q CA -0.050 55.759 55.803 0.011 0.000 0.934 1302 Q CB 0.889 29.641 28.738 0.024 0.000 1.292 1302 Q HN 0.648 nan 8.270 nan 0.000 0.481 1303 R N -0.904 119.603 120.500 0.012 0.000 2.243 1303 R HA 0.223 4.563 4.340 -0.000 0.000 0.168 1303 R C -0.862 175.456 176.300 0.031 0.000 0.848 1303 R CA 0.337 56.468 56.100 0.051 0.000 1.662 1303 R CB 0.869 31.154 30.300 -0.024 0.000 1.566 1303 R HN -0.023 nan 8.270 nan 0.000 0.460 1304 S N 1.927 117.592 115.700 -0.057 0.000 2.499 1304 S HA 0.379 4.849 4.470 -0.000 0.000 0.275 1304 S C 0.091 174.644 174.600 -0.078 0.000 1.257 1304 S CA -0.109 58.016 58.200 -0.126 0.000 1.050 1304 S CB 1.152 64.236 63.200 -0.193 0.000 0.937 1304 S HN 0.149 nan 8.310 nan 0.000 0.490 1305 L N 2.486 123.691 121.223 -0.030 0.000 2.397 1305 L HA 0.521 4.861 4.340 -0.000 0.000 0.266 1305 L C 0.459 177.311 176.870 -0.030 0.000 1.040 1305 L CA -0.767 54.112 54.840 0.066 0.000 0.800 1305 L CB 0.966 43.095 42.059 0.116 0.000 1.324 1305 L HN 0.562 nan 8.230 nan 0.000 0.469 1306 E N -1.126 119.105 120.200 0.051 0.000 2.212 1306 E HA 0.168 4.518 4.350 -0.000 0.000 0.270 1306 E C -0.183 176.373 176.600 -0.074 0.000 0.956 1306 E CA -0.458 55.840 56.400 -0.171 0.000 0.825 1306 E CB 1.424 30.962 29.700 -0.271 0.000 1.167 1306 E HN 0.388 nan 8.360 nan 0.000 0.400 1307 Y N 0.551 120.871 120.300 0.033 0.000 2.384 1307 Y HA -0.249 4.301 4.550 -0.000 0.000 0.289 1307 Y C 2.589 178.515 175.900 0.044 0.000 1.152 1307 Y CA 1.271 59.415 58.100 0.074 0.000 1.258 1307 Y CB -0.042 38.485 38.460 0.112 0.000 0.979 1307 Y HN 0.621 nan 8.280 nan 0.000 0.549 1308 T N -3.300 111.304 114.554 0.083 0.000 2.821 1308 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 1308 T C 1.285 175.993 174.700 0.012 0.000 1.046 1308 T CA 1.727 63.819 62.100 -0.014 0.000 1.139 1308 T CB -0.681 68.072 68.868 -0.193 0.000 0.871 1308 T HN 0.485 nan 8.240 nan 0.000 0.454 1309 H N 1.395 120.421 119.070 -0.073 0.000 2.270 1309 H HA 0.130 4.686 4.556 -0.000 0.000 0.299 1309 H C 2.165 177.580 175.328 0.144 0.000 1.077 1309 H CA 1.375 57.315 56.048 -0.181 0.000 1.294 1309 H CB -0.265 29.258 29.762 -0.398 0.000 1.371 1309 H HN 0.188 nan 8.280 nan 0.000 0.491 1310 L N 0.608 122.016 121.223 0.308 0.000 2.450 1310 L HA -0.127 4.213 4.340 -0.000 0.000 0.224 1310 L C 1.619 178.650 176.870 0.269 0.000 1.149 1310 L CA 0.939 55.956 54.840 0.295 0.000 0.816 1310 L CB -0.225 42.012 42.059 0.296 0.000 0.932 1310 L HN 0.406 nan 8.230 nan 0.000 0.449 1311 E N -0.174 120.173 120.200 0.244 0.000 2.400 1311 E HA 0.003 4.352 4.350 -0.000 0.000 0.195 1311 E C 2.170 178.874 176.600 0.173 0.000 1.012 1311 E CA 0.111 56.627 56.400 0.193 0.000 0.875 1311 E CB 0.302 30.088 29.700 0.143 0.000 0.859 1311 E HN 0.469 nan 8.360 nan 0.000 0.498 1312 L N -0.165 121.183 121.223 0.209 0.000 1.982 1312 L HA -0.002 4.338 4.340 -0.000 0.000 0.206 1312 L C 2.545 179.508 176.870 0.154 0.000 1.078 1312 L CA 1.283 56.226 54.840 0.171 0.000 0.749 1312 L CB -0.823 41.396 42.059 0.268 0.000 0.894 1312 L HN 0.208 nan 8.230 nan 0.000 0.436 1313 G N -0.462 108.471 108.800 0.223 0.000 2.479 1313 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.220 1313 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.220 1313 G C 1.657 176.767 174.900 0.351 0.000 1.115 1313 G CA 0.899 46.132 45.100 0.223 0.000 0.757 1313 G HN 0.483 nan 8.290 nan 0.000 0.560 1314 A N 0.321 123.332 122.820 0.318 0.000 1.929 1314 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 1314 A C 2.276 180.155 177.584 0.491 0.000 1.176 1314 A CA 1.541 53.821 52.037 0.404 0.000 0.628 1314 A CB -0.744 18.433 19.000 0.296 0.000 0.816 1314 A HN 0.921 nan 8.150 nan 0.000 0.444 1315 C N -1.536 117.937 119.300 0.288 0.000 2.396 1315 C HA 0.564 5.024 4.460 -0.000 0.000 0.334 1315 C C 1.433 176.371 174.990 -0.088 0.000 1.313 1315 C CA -0.632 58.520 59.018 0.223 0.000 1.719 1315 C CB -1.483 26.329 27.740 0.121 0.000 1.893 1315 C HN 1.522 nan 8.230 nan 0.000 0.589 1316 G N 1.692 110.285 108.800 -0.344 0.000 2.366 1316 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.299 1316 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.299 1316 G C -0.002 174.445 174.900 -0.754 0.000 1.020 1316 G CA 0.864 45.117 45.100 -1.411 0.000 1.026 1316 G HN 0.964 nan 8.290 nan 0.000 0.512 1317 T N -0.826 113.480 114.554 -0.412 0.000 2.927 1317 T HA 0.656 5.006 4.350 -0.000 0.000 0.286 1317 T C 0.525 174.973 174.700 -0.420 0.000 1.040 1317 T CA -1.040 60.864 62.100 -0.327 0.000 1.010 1317 T CB 0.761 69.515 68.868 -0.190 0.000 1.177 1317 T HN 0.233 nan 8.240 nan 0.000 0.546 1318 I N 3.693 123.913 120.570 -0.585 0.000 2.379 1318 I HA 0.287 4.456 4.170 -0.000 0.000 0.290 1318 I C -2.220 173.708 176.117 -0.317 0.000 1.063 1318 I CA -2.587 58.360 61.300 -0.588 0.000 1.351 1318 I CB 0.663 38.145 38.000 -0.864 0.000 1.410 1318 I HN 0.431 nan 8.210 nan 0.000 0.505 1319 P HA 0.175 nan 4.420 nan 0.000 0.282 1319 P C -0.716 176.341 177.300 -0.405 0.000 1.274 1319 P CA -0.171 62.726 63.100 -0.338 0.000 0.770 1319 P CB 0.860 32.220 31.700 -0.566 0.000 0.867 1320 V N 5.322 125.175 119.914 -0.101 0.000 2.326 1320 V HA 0.401 4.521 4.120 -0.000 0.000 0.281 1320 V C -0.332 176.095 176.094 0.555 0.000 1.015 1320 V CA -0.428 61.922 62.300 0.084 0.000 0.823 1320 V CB -0.075 31.757 31.823 0.015 0.000 1.009 1320 V HN 0.330 nan 8.190 nan 0.000 0.436 1321 F N 1.871 122.033 119.950 0.353 0.000 2.507 1321 F HA 0.422 4.949 4.527 -0.000 0.000 0.327 1321 F C 0.249 176.394 175.800 0.575 0.000 1.068 1321 F CA -2.300 56.000 58.000 0.500 0.000 0.965 1321 F CB 1.434 40.787 39.000 0.588 0.000 1.192 1321 F HN 0.590 nan 8.300 nan 0.000 0.476 1322 W N 5.428 127.018 121.300 0.482 0.000 2.591 1322 W HA 0.046 4.706 4.660 -0.000 0.000 0.330 1322 W C 1.195 177.876 176.519 0.270 0.000 1.435 1322 W CA -0.157 57.381 57.345 0.322 0.000 1.350 1322 W CB 0.637 30.212 29.460 0.192 0.000 1.434 1322 W HN 0.800 nan 8.180 nan 0.000 0.553 1323 K N 3.409 123.746 120.400 -0.105 0.000 1.998 1323 K HA -0.328 3.992 4.320 -0.000 0.000 0.228 1323 K C 2.025 178.456 176.600 -0.282 0.000 1.053 1323 K CA 3.394 59.555 56.287 -0.209 0.000 0.988 1323 K CB -0.599 31.771 32.500 -0.217 0.000 0.735 1323 K HN 0.504 nan 8.250 nan 0.000 0.448 1324 S N 0.110 115.604 115.700 -0.344 0.000 2.426 1324 S HA -0.315 4.155 4.470 -0.000 0.000 0.253 1324 S C 1.946 176.590 174.600 0.073 0.000 1.104 1324 S CA 2.309 60.509 58.200 0.001 0.000 1.158 1324 S CB -1.290 62.164 63.200 0.422 0.000 1.043 1324 S HN 0.572 nan 8.310 nan 0.000 0.443 1325 T N 1.643 116.348 114.554 0.252 0.000 2.555 1325 T HA -0.130 4.220 4.350 -0.000 0.000 0.264 1325 T C 2.076 176.717 174.700 -0.097 0.000 1.083 1325 T CA 1.603 63.777 62.100 0.123 0.000 1.179 1325 T CB -1.264 67.734 68.868 0.217 0.000 0.863 1325 T HN 0.615 nan 8.240 nan 0.000 0.412 1326 G N 1.011 109.638 108.800 -0.289 0.000 2.549 1326 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.222 1326 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.222 1326 G C 1.352 176.011 174.900 -0.401 0.000 1.100 1326 G CA 1.124 45.906 45.100 -0.531 0.000 0.739 1326 G HN 0.615 nan 8.290 nan 0.000 0.577 1327 E N -0.015 120.007 120.200 -0.298 0.000 2.230 1327 E HA -0.021 4.328 4.350 -0.000 0.000 0.192 1327 E C 2.068 178.604 176.600 -0.106 0.000 0.987 1327 E CA 0.870 57.153 56.400 -0.194 0.000 0.841 1327 E CB 0.029 29.636 29.700 -0.154 0.000 0.783 1327 E HN 0.511 nan 8.360 nan 0.000 0.481 1328 N N 0.074 118.724 118.700 -0.083 0.000 2.409 1328 N HA 0.074 4.814 4.740 -0.000 0.000 0.174 1328 N C -0.061 175.424 175.510 -0.042 0.000 1.037 1328 N CA 0.174 53.194 53.050 -0.049 0.000 0.898 1328 N CB 0.382 38.848 38.487 -0.036 0.000 1.010 1328 N HN -0.020 nan 8.380 nan 0.000 0.445 1329 L N 1.736 122.923 121.223 -0.060 0.000 2.361 1329 L HA 0.181 4.521 4.340 -0.000 0.000 0.278 1329 L C 0.195 177.057 176.870 -0.015 0.000 1.113 1329 L CA -0.078 54.739 54.840 -0.039 0.000 0.849 1329 L CB 0.619 42.635 42.059 -0.071 0.000 1.155 1329 L HN 0.053 nan 8.230 nan 0.000 0.452 1330 K N 2.849 123.277 120.400 0.045 0.000 2.144 1330 K HA 0.259 4.579 4.320 -0.000 0.000 0.270 1330 K C -0.455 176.269 176.600 0.208 0.000 1.005 1330 K CA -0.644 55.704 56.287 0.101 0.000 0.932 1330 K CB 1.130 33.682 32.500 0.088 0.000 1.021 1330 K HN 0.196 nan 8.250 nan 0.000 0.462 1331 F N 2.809 122.780 119.950 0.035 0.000 2.456 1331 F HA 0.095 4.622 4.527 -0.000 0.000 0.358 1331 F C 1.604 177.516 175.800 0.186 0.000 1.095 1331 F CA -0.501 57.557 58.000 0.096 0.000 1.216 1331 F CB 0.712 39.741 39.000 0.048 0.000 1.125 1331 F HN 0.531 nan 8.300 nan 0.000 0.549 1332 R N 3.188 123.538 120.500 -0.251 0.000 2.139 1332 R HA -0.123 4.217 4.340 -0.000 0.000 0.243 1332 R C 1.130 177.110 176.300 -0.534 0.000 1.145 1332 R CA 1.984 57.776 56.100 -0.512 0.000 0.976 1332 R CB -0.164 29.688 30.300 -0.746 0.000 0.866 1332 R HN 0.646 nan 8.270 nan 0.000 0.449 1333 V N 1.258 120.670 119.914 -0.838 0.000 2.300 1333 V HA -0.180 3.940 4.120 -0.000 0.000 0.233 1333 V C 1.467 177.530 176.094 -0.052 0.000 1.052 1333 V CA 2.055 64.128 62.300 -0.378 0.000 1.026 1333 V CB -0.468 31.210 31.823 -0.242 0.000 0.661 1333 V HN 0.517 nan 8.190 nan 0.000 0.470 1334 D N -0.907 119.597 120.400 0.173 0.000 2.340 1334 D HA 0.005 4.645 4.640 -0.000 0.000 0.220 1334 D C 0.873 177.269 176.300 0.160 0.000 1.039 1334 D CA 0.458 54.566 54.000 0.180 0.000 0.866 1334 D CB -0.683 40.255 40.800 0.230 0.000 0.913 1334 D HN 0.474 nan 8.370 nan 0.000 0.523 1335 N N -0.423 118.373 118.700 0.159 0.000 2.780 1335 N HA -0.177 4.563 4.740 -0.000 0.000 0.248 1335 N C -1.120 174.487 175.510 0.162 0.000 1.102 1335 N CA 1.224 54.351 53.050 0.128 0.000 0.697 1335 N CB -1.521 37.008 38.487 0.069 0.000 1.028 1335 N HN 0.525 nan 8.380 nan 0.000 0.554 1336 T N -2.471 112.236 114.554 0.254 0.000 2.855 1336 T HA 0.665 5.015 4.350 -0.000 0.000 0.281 1336 T C -2.679 172.134 174.700 0.188 0.000 1.007 1336 T CA -2.001 60.228 62.100 0.215 0.000 1.009 1336 T CB 2.137 71.158 68.868 0.256 0.000 0.983 1336 T HN -0.109 nan 8.240 nan 0.000 0.455 1337 P HA -0.061 nan 4.420 nan 0.000 0.262 1337 P C 1.147 178.441 177.300 -0.010 0.000 1.151 1337 P CA 0.218 63.334 63.100 0.027 0.000 0.757 1337 P CB 0.276 31.979 31.700 0.004 0.000 0.754 1338 L N 3.045 124.214 121.223 -0.090 0.000 1.933 1338 L HA -0.261 4.079 4.340 -0.000 0.000 0.220 1338 L C 2.572 179.340 176.870 -0.170 0.000 1.078 1338 L CA 2.813 57.558 54.840 -0.158 0.000 0.773 1338 L CB -1.782 40.215 42.059 -0.103 0.000 0.890 1338 L HN 0.488 nan 8.230 nan 0.000 0.434 1339 T N -2.351 112.061 114.554 -0.237 0.000 2.902 1339 T HA -0.249 4.101 4.350 -0.000 0.000 0.260 1339 T C 1.167 175.935 174.700 0.114 0.000 1.064 1339 T CA 1.354 63.362 62.100 -0.153 0.000 1.152 1339 T CB -1.086 67.452 68.868 -0.550 0.000 0.810 1339 T HN 0.474 nan 8.240 nan 0.000 0.523 1340 S N 0.988 116.752 115.700 0.106 0.000 3.983 1340 S HA 0.457 4.927 4.470 -0.000 0.000 0.194 1340 S C -0.471 174.301 174.600 0.288 0.000 1.464 1340 S CA -0.935 57.361 58.200 0.159 0.000 1.021 1340 S CB -0.500 62.764 63.200 0.107 0.000 1.424 1340 S HN 0.683 nan 8.310 nan 0.000 0.473 1341 H N -0.284 118.691 119.070 -0.159 0.000 2.933 1341 H HA 0.474 5.029 4.556 -0.000 0.000 0.310 1341 H C -1.348 173.802 175.328 -0.297 0.000 1.351 1341 H CA -1.014 54.855 56.048 -0.299 0.000 1.137 1341 H CB 0.696 30.086 29.762 -0.620 0.000 1.853 1341 H HN 0.294 nan 8.280 nan 0.000 0.539 1342 D N -0.026 120.255 120.400 -0.198 0.000 3.139 1342 D HA 0.126 4.766 4.640 -0.000 0.000 0.268 1342 D C 0.678 176.789 176.300 -0.315 0.000 1.322 1342 D CA 0.229 54.105 54.000 -0.206 0.000 0.940 1342 D CB -0.020 40.699 40.800 -0.136 0.000 1.050 1342 D HN 0.505 nan 8.370 nan 0.000 0.503 1343 S N 0.018 115.400 115.700 -0.531 0.000 2.407 1343 S HA -0.125 4.345 4.470 -0.000 0.000 0.235 1343 S C 2.021 176.431 174.600 -0.317 0.000 1.036 1343 S CA 0.983 58.768 58.200 -0.692 0.000 1.013 1343 S CB -0.576 62.193 63.200 -0.719 0.000 0.820 1343 S HN 0.596 nan 8.310 nan 0.000 0.476 1344 G N 0.626 109.220 108.800 -0.344 0.000 2.157 1344 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.248 1344 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.248 1344 G C -0.005 174.648 174.900 -0.412 0.000 0.979 1344 G CA 0.226 45.155 45.100 -0.285 0.000 0.650 1344 G HN 0.609 nan 8.290 nan 0.000 0.529 1345 I N 0.865 121.045 120.570 -0.650 0.000 2.577 1345 I HA 0.495 4.665 4.170 -0.000 0.000 0.305 1345 I C 0.720 176.210 176.117 -1.045 0.000 0.986 1345 I CA -1.284 59.474 61.300 -0.903 0.000 1.189 1345 I CB 1.605 38.839 38.000 -1.277 0.000 1.355 1345 I HN -0.063 nan 8.210 nan 0.000 0.476 1346 I N 3.739 123.880 120.570 -0.715 0.000 2.312 1346 I HA 0.076 4.246 4.170 -0.000 0.000 0.291 1346 I C -0.596 175.347 176.117 -0.289 0.000 1.031 1346 I CA -0.091 60.942 61.300 -0.444 0.000 1.293 1346 I CB 0.393 38.290 38.000 -0.172 0.000 1.403 1346 I HN 0.506 nan 8.210 nan 0.000 0.484 1347 W N 6.732 128.019 121.300 -0.023 0.000 1.606 1347 W HA 0.193 4.853 4.660 -0.000 0.000 0.455 1347 W C 0.415 176.954 176.519 0.034 0.000 0.711 1347 W CA -1.049 56.306 57.345 0.017 0.000 1.876 1347 W CB -0.065 29.376 29.460 -0.032 0.000 1.776 1347 W HN 0.347 nan 8.180 nan 0.000 0.229 1348 F N 3.539 123.603 119.950 0.190 0.000 2.395 1348 F HA -0.207 4.320 4.527 -0.000 0.000 0.421 1348 F C 0.680 176.401 175.800 -0.131 0.000 0.942 1348 F CA 0.863 58.890 58.000 0.045 0.000 1.107 1348 F CB 0.147 39.226 39.000 0.131 0.000 0.895 1348 F HN 0.090 nan 8.300 nan 0.000 0.522 1349 D N 6.392 126.707 120.400 -0.141 0.000 2.460 1349 D HA 0.047 4.687 4.640 -0.000 0.000 0.232 1349 D C 1.123 177.355 176.300 -0.113 0.000 1.079 1349 D CA -0.135 53.772 54.000 -0.154 0.000 0.864 1349 D CB 0.778 41.509 40.800 -0.116 0.000 1.048 1349 D HN 0.804 nan 8.370 nan 0.000 0.523 1350 E N 2.858 123.049 120.200 -0.015 0.000 2.284 1350 E HA -0.271 4.078 4.350 -0.000 0.000 0.200 1350 E C 0.274 176.962 176.600 0.148 0.000 1.008 1350 E CA 1.333 57.871 56.400 0.230 0.000 0.829 1350 E CB -0.008 29.891 29.700 0.332 0.000 0.744 1350 E HN 0.486 nan 8.360 nan 0.000 0.491 1351 N N 0.201 118.933 118.700 0.053 0.000 2.197 1351 N HA -0.082 4.657 4.740 -0.000 0.000 0.184 1351 N C 0.557 176.096 175.510 0.049 0.000 1.030 1351 N CA 0.822 53.908 53.050 0.060 0.000 0.851 1351 N CB 0.110 38.619 38.487 0.035 0.000 1.003 1351 N HN 0.040 nan 8.380 nan 0.000 0.430 1352 D N 0.840 121.241 120.400 0.001 0.000 3.139 1352 D HA 0.191 4.831 4.640 -0.000 0.000 0.268 1352 D C 0.973 177.234 176.300 -0.065 0.000 1.322 1352 D CA -0.180 53.818 54.000 -0.003 0.000 0.940 1352 D CB -0.017 40.774 40.800 -0.015 0.000 1.050 1352 D HN 0.165 nan 8.370 nan 0.000 0.503 1353 M N -0.329 119.246 119.600 -0.042 0.000 2.195 1353 M HA -0.199 4.281 4.480 -0.000 0.000 0.260 1353 M C 1.876 177.887 176.300 -0.481 0.000 1.066 1353 M CA 1.390 56.577 55.300 -0.189 0.000 1.089 1353 M CB 0.086 32.753 32.600 0.112 0.000 1.377 1353 M HN 0.304 nan 8.290 nan 0.000 0.411 1354 E N -0.420 119.607 120.200 -0.289 0.000 2.028 1354 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 1354 E C 1.987 178.517 176.600 -0.116 0.000 0.988 1354 E CA 1.564 57.815 56.400 -0.248 0.000 0.799 1354 E CB -0.091 29.753 29.700 0.239 0.000 0.755 1354 E HN 0.337 nan 8.360 nan 0.000 0.447 1355 S N -0.562 115.099 115.700 -0.065 0.000 2.392 1355 S HA -0.210 4.259 4.470 -0.000 0.000 0.232 1355 S C 1.980 176.531 174.600 -0.081 0.000 1.041 1355 S CA 2.093 60.259 58.200 -0.056 0.000 1.026 1355 S CB -0.590 62.583 63.200 -0.044 0.000 0.845 1355 S HN 0.419 nan 8.310 nan 0.000 0.465 1356 T N 0.941 115.420 114.554 -0.126 0.000 2.777 1356 T HA 0.001 4.351 4.350 -0.000 0.000 0.266 1356 T C 1.264 175.969 174.700 0.008 0.000 1.040 1356 T CA 1.192 63.218 62.100 -0.123 0.000 1.141 1356 T CB -0.428 68.244 68.868 -0.326 0.000 0.868 1356 T HN 0.516 nan 8.240 nan 0.000 0.444 1357 F N 2.276 122.101 119.950 -0.208 0.000 2.365 1357 F HA 0.033 4.560 4.527 -0.000 0.000 0.300 1357 F C 2.020 177.746 175.800 -0.123 0.000 1.090 1357 F CA 0.516 58.411 58.000 -0.174 0.000 1.408 1357 F CB -0.269 38.460 39.000 -0.452 0.000 1.060 1357 F HN 0.050 nan 8.300 nan 0.000 0.534 1358 E N 0.492 120.609 120.200 -0.139 0.000 2.008 1358 E HA -0.130 4.219 4.350 -0.000 0.000 0.191 1358 E C 2.238 178.739 176.600 -0.165 0.000 0.986 1358 E CA 0.801 57.085 56.400 -0.193 0.000 0.807 1358 E CB -0.454 29.184 29.700 -0.102 0.000 0.766 1358 E HN 0.286 nan 8.360 nan 0.000 0.450 1359 R N 0.725 121.163 120.500 -0.105 0.000 2.261 1359 R HA -0.077 4.263 4.340 -0.000 0.000 0.236 1359 R C 2.331 178.591 176.300 -0.067 0.000 1.141 1359 R CA 0.640 56.690 56.100 -0.082 0.000 1.001 1359 R CB -0.829 29.422 30.300 -0.083 0.000 0.866 1359 R HN 0.330 nan 8.270 nan 0.000 0.468 1360 I N 0.591 121.093 120.570 -0.113 0.000 2.400 1360 I HA -0.175 3.995 4.170 -0.000 0.000 0.248 1360 I C 2.134 178.159 176.117 -0.154 0.000 1.109 1360 I CA 1.051 62.245 61.300 -0.177 0.000 1.425 1360 I CB -0.128 37.737 38.000 -0.225 0.000 1.094 1360 I HN 0.102 nan 8.210 nan 0.000 0.425 1361 K N 0.773 121.007 120.400 -0.276 0.000 2.007 1361 K HA -0.213 4.107 4.320 -0.000 0.000 0.206 1361 K C 1.985 178.540 176.600 -0.075 0.000 1.047 1361 K CA 1.378 57.529 56.287 -0.226 0.000 0.937 1361 K CB -0.256 32.028 32.500 -0.360 0.000 0.718 1361 K HN 0.186 nan 8.250 nan 0.000 0.438 1362 E N 0.583 120.730 120.200 -0.088 0.000 2.208 1362 E HA -0.233 4.117 4.350 -0.000 0.000 0.202 1362 E C 1.148 177.758 176.600 0.016 0.000 1.014 1362 E CA 1.237 57.613 56.400 -0.040 0.000 0.819 1362 E CB 0.143 29.811 29.700 -0.053 0.000 0.735 1362 E HN 0.084 nan 8.360 nan 0.000 0.469 1363 L N -0.625 120.639 121.223 0.069 0.000 2.638 1363 L HA 0.087 4.427 4.340 -0.000 0.000 0.232 1363 L C 1.840 178.889 176.870 0.298 0.000 1.099 1363 L CA 0.601 55.529 54.840 0.147 0.000 0.883 1363 L CB 0.726 42.856 42.059 0.118 0.000 1.136 1363 L HN 0.065 nan 8.230 nan 0.000 0.492 1364 S N -2.335 113.553 115.700 0.312 0.000 2.556 1364 S HA 0.050 4.520 4.470 -0.000 0.000 0.216 1364 S C 1.691 176.391 174.600 0.165 0.000 0.970 1364 S CA 0.378 58.800 58.200 0.369 0.000 0.912 1364 S CB -0.115 63.339 63.200 0.423 0.000 0.790 1364 S HN 0.377 nan 8.310 nan 0.000 0.504 1365 S N 1.314 117.076 115.700 0.103 0.000 2.433 1365 S HA 0.110 4.580 4.470 -0.000 0.000 0.216 1365 S C 0.683 175.307 174.600 0.040 0.000 1.031 1365 S CA 0.282 58.511 58.200 0.049 0.000 0.931 1365 S CB -0.924 62.288 63.200 0.020 0.000 0.875 1365 S HN 0.333 nan 8.310 nan 0.000 0.553 1366 D N 2.102 122.531 120.400 0.048 0.000 2.541 1366 D HA 0.200 4.840 4.640 -0.000 0.000 0.231 1366 D C 0.618 176.949 176.300 0.053 0.000 1.163 1366 D CA -0.112 53.912 54.000 0.040 0.000 1.077 1366 D CB -0.251 40.570 40.800 0.036 0.000 1.110 1366 D HN 0.239 nan 8.370 nan 0.000 0.499 1367 R N 1.632 122.141 120.500 0.015 0.000 2.425 1367 R HA -0.096 4.244 4.340 -0.000 0.000 0.206 1367 R C 1.154 177.456 176.300 0.003 0.000 1.117 1367 R CA 0.714 56.795 56.100 -0.032 0.000 1.098 1367 R CB 0.184 30.433 30.300 -0.085 0.000 0.843 1367 R HN 0.332 nan 8.270 nan 0.000 0.480 1368 A N -0.391 122.451 122.820 0.038 0.000 2.127 1368 A HA 0.025 4.344 4.320 -0.000 0.000 0.204 1368 A C 1.599 179.222 177.584 0.065 0.000 1.243 1368 A CA -0.190 51.873 52.037 0.043 0.000 0.887 1368 A CB 0.186 19.201 19.000 0.025 0.000 0.933 1368 A HN 0.259 nan 8.150 nan 0.000 0.479 1369 L N -1.442 119.824 121.223 0.071 0.000 2.341 1369 L HA 0.120 4.460 4.340 -0.000 0.000 0.214 1369 L C 1.918 178.840 176.870 0.086 0.000 1.115 1369 L CA 1.660 56.536 54.840 0.060 0.000 0.820 1369 L CB -0.723 41.362 42.059 0.043 0.000 0.944 1369 L HN 0.515 nan 8.230 nan 0.000 0.452 1370 Y N -0.564 119.715 120.300 -0.035 0.000 2.206 1370 Y HA -0.169 4.381 4.550 -0.000 0.000 0.292 1370 Y C 2.221 178.076 175.900 -0.075 0.000 1.123 1370 Y CA 1.580 59.636 58.100 -0.074 0.000 1.142 1370 Y CB 0.022 38.424 38.460 -0.097 0.000 1.006 1370 Y HN 0.229 nan 8.280 nan 0.000 0.518 1371 D N 0.156 120.751 120.400 0.324 0.000 2.310 1371 D HA -0.107 4.533 4.640 -0.000 0.000 0.212 1371 D C 1.738 178.128 176.300 0.150 0.000 0.965 1371 D CA 0.972 55.115 54.000 0.239 0.000 0.879 1371 D CB 0.017 40.917 40.800 0.166 0.000 0.921 1371 D HN 0.412 nan 8.370 nan 0.000 0.510 1372 R N -0.286 120.268 120.500 0.090 0.000 2.254 1372 R HA 0.088 4.428 4.340 -0.000 0.000 0.195 1372 R C 1.665 177.979 176.300 0.023 0.000 0.957 1372 R CA 0.209 56.343 56.100 0.057 0.000 1.024 1372 R CB 0.414 30.735 30.300 0.035 0.000 0.952 1372 R HN 0.064 nan 8.270 nan 0.000 0.484 1373 E N 1.085 121.268 120.200 -0.029 0.000 2.140 1373 E HA -0.092 4.258 4.350 -0.000 0.000 0.191 1373 E C 1.817 178.363 176.600 -0.090 0.000 0.973 1373 E CA 0.780 57.125 56.400 -0.092 0.000 0.829 1373 E CB 0.157 29.755 29.700 -0.169 0.000 0.781 1373 E HN 0.354 nan 8.360 nan 0.000 0.466 1374 R N 0.758 121.192 120.500 -0.110 0.000 2.280 1374 R HA 0.054 4.394 4.340 -0.000 0.000 0.207 1374 R C 1.572 178.040 176.300 0.281 0.000 1.043 1374 R CA 0.805 56.872 56.100 -0.055 0.000 1.006 1374 R CB 0.033 30.179 30.300 -0.258 0.000 0.885 1374 R HN -0.128 nan 8.270 nan 0.000 0.467 1375 E N 1.322 121.672 120.200 0.250 0.000 2.442 1375 E HA 0.012 4.362 4.350 -0.000 0.000 0.195 1375 E C 0.878 177.598 176.600 0.199 0.000 1.030 1375 E CA 0.555 57.114 56.400 0.264 0.000 0.869 1375 E CB 0.376 30.163 29.700 0.146 0.000 0.857 1375 E HN 0.452 nan 8.360 nan 0.000 0.505 1376 K N -0.405 120.086 120.400 0.152 0.000 2.308 1376 K HA 0.180 4.500 4.320 -0.000 0.000 0.197 1376 K C 2.002 178.725 176.600 0.204 0.000 1.049 1376 K CA 0.541 56.908 56.287 0.134 0.000 0.991 1376 K CB 0.314 32.832 32.500 0.029 0.000 0.836 1376 K HN -0.054 nan 8.250 nan 0.000 0.500 1377 A N 1.532 124.460 122.820 0.180 0.000 1.834 1377 A HA -0.248 4.072 4.320 -0.000 0.000 0.216 1377 A C 2.051 179.852 177.584 0.362 0.000 1.203 1377 A CA 1.603 53.760 52.037 0.199 0.000 0.621 1377 A CB -1.092 17.962 19.000 0.089 0.000 0.841 1377 A HN 0.375 nan 8.150 nan 0.000 0.446 1378 Y N 0.662 121.146 120.300 0.307 0.000 2.040 1378 Y HA -0.320 4.230 4.550 -0.000 0.000 0.275 1378 Y C 2.411 178.489 175.900 0.296 0.000 1.171 1378 Y CA 2.796 61.094 58.100 0.331 0.000 1.123 1378 Y CB -0.592 38.061 38.460 0.322 0.000 0.963 1378 Y HN 0.434 nan 8.280 nan 0.000 0.493 1379 E N -0.279 120.297 120.200 0.628 0.000 2.085 1379 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 1379 E C 2.046 178.918 176.600 0.453 0.000 0.994 1379 E CA 1.616 58.323 56.400 0.512 0.000 0.801 1379 E CB -0.871 29.052 29.700 0.371 0.000 0.743 1379 E HN 0.536 nan 8.360 nan 0.000 0.453 1380 F N 0.423 120.525 119.950 0.253 0.000 2.134 1380 F HA -0.087 4.439 4.527 -0.000 0.000 0.299 1380 F C 1.700 177.665 175.800 0.275 0.000 1.097 1380 F CA 1.288 59.415 58.000 0.212 0.000 1.264 1380 F CB -0.231 38.819 39.000 0.084 0.000 1.001 1380 F HN 0.030 nan 8.300 nan 0.000 0.479 1381 L N -1.171 120.087 121.223 0.057 0.000 2.109 1381 L HA -0.194 4.146 4.340 -0.000 0.000 0.207 1381 L C 2.396 179.282 176.870 0.027 0.000 1.086 1381 L CA 1.324 56.147 54.840 -0.028 0.000 0.760 1381 L CB -1.113 41.019 42.059 0.121 0.000 0.910 1381 L HN 0.231 nan 8.230 nan 0.000 0.437 1382 Y N 0.943 121.215 120.300 -0.047 0.000 2.165 1382 Y HA -0.272 4.278 4.550 -0.000 0.000 0.286 1382 Y C 2.625 178.585 175.900 0.100 0.000 1.155 1382 Y CA 1.573 59.669 58.100 -0.006 0.000 1.164 1382 Y CB -0.091 38.343 38.460 -0.044 0.000 0.978 1382 Y HN 0.138 nan 8.280 nan 0.000 0.513 1383 Q N -1.127 118.690 119.800 0.028 0.000 2.472 1383 Q HA -0.154 4.186 4.340 -0.000 0.000 0.208 1383 Q C 1.706 177.411 176.000 -0.492 0.000 0.958 1383 Q CA 0.991 56.611 55.803 -0.305 0.000 0.932 1383 Q CB -0.236 28.567 28.738 0.109 0.000 1.007 1383 Q HN 0.719 nan 8.270 nan 0.000 0.508 1384 H N -0.891 117.954 119.070 -0.376 0.000 2.557 1384 H HA 0.169 4.725 4.556 -0.000 0.000 0.281 1384 H C 0.251 175.376 175.328 -0.339 0.000 0.990 1384 H CA 0.492 56.286 56.048 -0.425 0.000 1.278 1384 H CB 0.971 30.568 29.762 -0.276 0.000 1.451 1384 H HN 0.096 nan 8.280 nan 0.000 0.516 1385 Q N 1.483 121.117 119.800 -0.277 0.000 2.706 1385 Q HA 0.136 4.476 4.340 -0.000 0.000 0.335 1385 Q C -1.697 174.243 176.000 -0.100 0.000 0.796 1385 Q CA -0.261 55.397 55.803 -0.240 0.000 1.046 1385 Q CB 0.906 29.564 28.738 -0.133 0.000 1.448 1385 Q HN 0.243 nan 8.270 nan 0.000 0.385 1386 D N -1.557 118.807 120.400 -0.061 0.000 2.229 1386 D HA 0.276 4.916 4.640 -0.000 0.000 0.249 1386 D C 0.789 177.072 176.300 -0.029 0.000 1.027 1386 D CA -0.020 53.971 54.000 -0.016 0.000 0.923 1386 D CB 1.564 42.261 40.800 -0.171 0.000 1.174 1386 D HN 0.080 nan 8.370 nan 0.000 0.443 1387 S N 0.429 116.156 115.700 0.045 0.000 2.365 1387 S HA -0.212 4.258 4.470 -0.000 0.000 0.225 1387 S C 1.971 176.595 174.600 0.041 0.000 1.039 1387 S CA 1.612 59.886 58.200 0.123 0.000 1.033 1387 S CB -0.387 63.084 63.200 0.452 0.000 0.887 1387 S HN 0.672 nan 8.310 nan 0.000 0.447 1388 S N 1.130 116.878 115.700 0.080 0.000 2.400 1388 S HA -0.103 4.367 4.470 -0.000 0.000 0.232 1388 S C 1.525 176.015 174.600 -0.183 0.000 1.025 1388 S CA 1.235 59.450 58.200 0.025 0.000 0.993 1388 S CB -0.675 62.391 63.200 -0.224 0.000 0.808 1388 S HN 0.462 nan 8.310 nan 0.000 0.478 1389 F N 1.269 121.141 119.950 -0.130 0.000 2.188 1389 F HA 0.160 4.686 4.527 -0.000 0.000 0.289 1389 F C 2.874 178.525 175.800 -0.248 0.000 1.082 1389 F CA -0.078 57.811 58.000 -0.185 0.000 1.282 1389 F CB -1.093 37.746 39.000 -0.268 0.000 1.060 1389 F HN 0.258 nan 8.300 nan 0.000 0.493 1390 C N -0.375 118.835 119.300 -0.150 0.000 2.489 1390 C HA -0.104 4.356 4.460 -0.000 0.000 0.279 1390 C C 2.655 177.347 174.990 -0.497 0.000 1.266 1390 C CA 0.392 59.202 59.018 -0.347 0.000 1.707 1390 C CB -1.431 26.023 27.740 -0.476 0.000 2.059 1390 C HN 0.372 nan 8.230 nan 0.000 0.481 1391 F N 1.523 121.057 119.950 -0.693 0.000 2.408 1391 F HA -0.124 4.403 4.527 -0.000 0.000 0.300 1391 F C 2.357 177.363 175.800 -1.323 0.000 1.090 1391 F CA 1.316 58.570 58.000 -1.243 0.000 1.427 1391 F CB -0.142 37.573 39.000 -2.143 0.000 1.070 1391 F HN 0.206 nan 8.300 nan 0.000 0.549 1392 K N 0.930 120.968 120.400 -0.603 0.000 2.186 1392 K HA -0.128 4.192 4.320 -0.000 0.000 0.202 1392 K C 1.818 178.396 176.600 -0.036 0.000 1.052 1392 K CA 1.143 57.346 56.287 -0.141 0.000 0.965 1392 K CB -0.181 32.358 32.500 0.065 0.000 0.746 1392 K HN 0.214 nan 8.250 nan 0.000 0.457 1393 E N 0.145 120.290 120.200 -0.091 0.000 2.106 1393 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 1393 E C 1.853 178.459 176.600 0.011 0.000 0.984 1393 E CA 1.190 57.573 56.400 -0.028 0.000 0.806 1393 E CB 0.107 29.769 29.700 -0.062 0.000 0.750 1393 E HN 0.438 nan 8.360 nan 0.000 0.458 1394 Q N -0.604 119.174 119.800 -0.036 0.000 2.137 1394 Q HA -0.101 4.239 4.340 -0.000 0.000 0.198 1394 Q C 1.898 177.991 176.000 0.154 0.000 0.960 1394 Q CA 1.044 56.878 55.803 0.052 0.000 0.847 1394 Q CB -0.142 28.562 28.738 -0.057 0.000 0.915 1394 Q HN 0.279 nan 8.270 nan 0.000 0.448 1395 F N 2.192 122.113 119.950 -0.049 0.000 2.126 1395 F HA -0.243 4.284 4.527 -0.000 0.000 0.299 1395 F C 1.415 177.264 175.800 0.083 0.000 1.096 1395 F CA 1.516 59.551 58.000 0.057 0.000 1.255 1395 F CB -0.029 39.022 39.000 0.084 0.000 0.997 1395 F HN 0.034 nan 8.300 nan 0.000 0.479 1396 D N 0.622 121.217 120.400 0.326 0.000 2.097 1396 D HA -0.194 4.446 4.640 -0.000 0.000 0.195 1396 D C 2.479 178.801 176.300 0.037 0.000 0.989 1396 D CA 1.925 56.046 54.000 0.202 0.000 0.827 1396 D CB -0.504 40.380 40.800 0.139 0.000 0.966 1396 D HN 0.355 nan 8.370 nan 0.000 0.456 1397 I N 0.661 121.222 120.570 -0.015 0.000 2.226 1397 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 1397 I C 2.429 178.437 176.117 -0.182 0.000 1.100 1397 I CA 0.737 61.919 61.300 -0.197 0.000 1.374 1397 I CB -0.255 37.572 38.000 -0.288 0.000 1.057 1397 I HN -0.041 nan 8.210 nan 0.000 0.413 1398 I N 0.925 121.459 120.570 -0.060 0.000 2.179 1398 I HA -0.284 3.885 4.170 -0.000 0.000 0.242 1398 I C 2.620 178.651 176.117 -0.143 0.000 1.088 1398 I CA 2.149 63.399 61.300 -0.083 0.000 1.357 1398 I CB -0.547 37.427 38.000 -0.044 0.000 1.051 1398 I HN 0.382 nan 8.210 nan 0.000 0.409 1399 T N -1.711 112.733 114.554 -0.184 0.000 3.088 1399 T HA -0.006 4.344 4.350 -0.000 0.000 0.259 1399 T C 1.035 175.709 174.700 -0.044 0.000 1.122 1399 T CA -0.219 61.798 62.100 -0.139 0.000 1.095 1399 T CB -0.131 68.642 68.868 -0.157 0.000 0.930 1399 T HN 0.200 nan 8.240 nan 0.000 0.508 1400 K N 0.000 120.373 120.400 -0.044 0.000 2.780 1400 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1400 K CA 0.000 56.273 56.287 -0.024 0.000 0.838 1400 K CB 0.000 32.466 32.500 -0.057 0.000 1.064 1400 K HN 0.000 nan 8.250 nan 0.000 0.543