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 1p14_1_A DATA FIRST_RESID 978 DATA SEQUENCE VFPSSVYVPD EWEVSREKIT LLRELGQGSF GMVYEGNARD IIKGEAETRV DATA SEQUENCE AVKTVNESAS LRERIEFLNE ASVMKGFTCH HVVRLLGVVS KGQPTLVVME DATA SEQUENCE LMAHGDLKSY LRSLRPEAEN NPGRPPPTLQ EMIQMAAEIA DGMAYLNAKK DATA SEQUENCE FVHRNLAARN CMVAHDFTVK IGDFGXXXXX XXXXXXXXXX XXXXPVRWMA DATA SEQUENCE PESLKDGVFT TSSDMWSFGV VLWEITSLAE QPYQGLSNEQ VLKFVMDGGY DATA SEQUENCE LDQPDNCPER VTDLMRMCWQ FNPNMRPTFL EIVNLLKDDL HPSFPEVSFF DATA SEQUENCE HSEENK 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 978 V HA 0.000 nan 4.120 nan 0.000 0.244 978 V C 0.000 176.227 176.094 0.221 0.000 1.182 978 V CA 0.000 62.369 62.300 0.116 0.000 1.235 978 V CB 0.000 31.866 31.823 0.071 0.000 1.184 979 F N 6.541 126.498 119.950 0.012 0.000 2.670 979 F HA 0.697 5.220 4.527 -0.006 0.000 0.332 979 F C -2.307 173.502 175.800 0.016 0.000 1.179 979 F CA -1.065 56.944 58.000 0.015 0.000 1.076 979 F CB 2.057 41.065 39.000 0.014 0.000 1.322 979 F HN 0.480 nan 8.300 nan 0.000 0.515 980 P HA 0.239 nan 4.420 nan 0.000 0.268 980 P C -0.763 176.441 177.300 -0.159 0.000 1.205 980 P CA -0.120 62.827 63.100 -0.255 0.000 0.771 980 P CB 1.288 32.810 31.700 -0.296 0.000 0.858 981 S N 0.852 116.529 115.700 -0.039 0.000 2.616 981 S HA 0.268 4.734 4.470 -0.006 0.000 0.277 981 S C 0.225 174.819 174.600 -0.009 0.000 1.234 981 S CA -0.812 57.399 58.200 0.018 0.000 1.028 981 S CB 1.086 64.304 63.200 0.030 0.000 0.988 981 S HN 0.487 nan 8.310 nan 0.000 0.522 982 S N 1.067 116.779 115.700 0.019 0.000 2.422 982 S HA 0.223 4.689 4.470 -0.006 0.000 0.283 982 S C 0.911 175.521 174.600 0.017 0.000 1.163 982 S CA -0.465 57.747 58.200 0.019 0.000 1.054 982 S CB -0.286 62.943 63.200 0.048 0.000 0.967 982 S HN 1.066 nan 8.310 nan 0.000 0.499 983 V N 4.385 124.302 119.914 0.005 0.000 3.590 983 V HA 0.343 4.460 4.120 -0.006 0.000 0.265 983 V C 0.514 176.597 176.094 -0.018 0.000 1.239 983 V CA -0.164 62.127 62.300 -0.014 0.000 1.117 983 V CB -1.200 30.604 31.823 -0.031 0.000 0.818 983 V HN 0.821 nan 8.190 nan 0.000 0.451 984 Y N 1.800 122.045 120.300 -0.091 0.000 2.544 984 Y HA 0.461 5.007 4.550 -0.007 0.000 0.330 984 Y C -0.092 175.772 175.900 -0.061 0.000 1.136 984 Y CA -0.117 57.922 58.100 -0.102 0.000 1.417 984 Y CB 0.726 39.111 38.460 -0.125 0.000 1.229 984 Y HN 0.045 nan 8.280 nan 0.000 0.532 985 V N 9.600 128.995 119.914 -0.864 0.000 2.357 985 V HA 0.279 4.395 4.120 -0.006 0.000 0.284 985 V C -2.224 173.352 176.094 -0.863 0.000 1.018 985 V CA -2.188 59.741 62.300 -0.618 0.000 0.841 985 V CB 1.405 33.040 31.823 -0.314 0.000 0.991 985 V HN 0.730 nan 8.190 nan 0.000 0.437 986 P HA 0.095 nan 4.420 nan 0.000 0.262 986 P C -0.832 176.408 177.300 -0.100 0.000 1.455 986 P CA 0.208 63.205 63.100 -0.172 0.000 1.217 986 P CB 0.057 31.775 31.700 0.029 0.000 1.625 987 D N 1.428 121.781 120.400 -0.077 0.000 2.489 987 D HA 0.044 4.680 4.640 -0.006 0.000 0.232 987 D C 1.358 177.679 176.300 0.035 0.000 1.230 987 D CA -0.348 53.648 54.000 -0.006 0.000 1.101 987 D CB -0.257 40.550 40.800 0.012 0.000 1.198 987 D HN 0.162 nan 8.370 nan 0.000 0.611 988 E N -0.281 119.914 120.200 -0.008 0.000 2.333 988 E HA -0.157 4.189 4.350 -0.006 0.000 0.198 988 E C 1.381 177.886 176.600 -0.158 0.000 1.007 988 E CA 0.679 57.007 56.400 -0.119 0.000 0.845 988 E CB -0.573 28.991 29.700 -0.227 0.000 0.766 988 E HN 0.564 nan 8.360 nan 0.000 0.507 989 W N 1.627 122.931 121.300 0.007 0.000 2.770 989 W HA 0.115 4.771 4.660 -0.008 0.000 0.256 989 W C 0.865 177.428 176.519 0.074 0.000 1.291 989 W CA -0.175 57.194 57.345 0.041 0.000 1.396 989 W CB 0.132 29.636 29.460 0.072 0.000 1.114 989 W HN -0.022 nan 8.180 nan 0.000 0.637 990 E N 0.878 121.244 120.200 0.277 0.000 2.415 990 E HA 0.177 4.523 4.350 -0.006 0.000 0.263 990 E C -0.718 175.948 176.600 0.110 0.000 0.995 990 E CA 0.232 56.761 56.400 0.214 0.000 0.915 990 E CB 0.562 30.368 29.700 0.177 0.000 0.951 990 E HN -0.236 nan 8.360 nan 0.000 0.449 991 V N 4.408 124.374 119.914 0.087 0.000 2.604 991 V HA 0.302 4.418 4.120 -0.006 0.000 0.305 991 V C -0.461 175.651 176.094 0.029 0.000 1.043 991 V CA -0.744 61.583 62.300 0.044 0.000 0.888 991 V CB 1.994 33.842 31.823 0.041 0.000 0.995 991 V HN 0.858 nan 8.190 nan 0.000 0.429 992 S N 4.378 120.087 115.700 0.016 0.000 2.533 992 S HA 0.186 4.652 4.470 -0.006 0.000 0.282 992 S C 1.106 175.707 174.600 0.002 0.000 1.304 992 S CA -0.283 57.923 58.200 0.009 0.000 1.063 992 S CB 0.748 63.950 63.200 0.003 0.000 0.881 992 S HN 0.770 nan 8.310 nan 0.000 0.493 993 R N 2.036 122.535 120.500 -0.001 0.000 2.119 993 R HA -0.194 4.142 4.340 -0.006 0.000 0.246 993 R C 2.491 178.782 176.300 -0.015 0.000 1.146 993 R CA 2.072 58.166 56.100 -0.010 0.000 0.962 993 R CB -1.146 29.147 30.300 -0.012 0.000 0.863 993 R HN 0.930 nan 8.270 nan 0.000 0.442 994 E N 1.240 121.433 120.200 -0.012 0.000 2.267 994 E HA -0.220 4.126 4.350 -0.006 0.000 0.197 994 E C 1.702 178.293 176.600 -0.015 0.000 0.998 994 E CA 1.787 58.178 56.400 -0.014 0.000 0.830 994 E CB -0.468 29.225 29.700 -0.011 0.000 0.751 994 E HN 0.584 nan 8.360 nan 0.000 0.491 995 K N -0.789 119.603 120.400 -0.012 0.000 2.432 995 K HA 0.127 4.444 4.320 -0.006 0.000 0.196 995 K C 0.190 176.782 176.600 -0.014 0.000 1.038 995 K CA -0.001 56.279 56.287 -0.012 0.000 0.986 995 K CB 0.273 32.768 32.500 -0.009 0.000 0.782 995 K HN 0.300 nan 8.250 nan 0.000 0.485 996 I N 1.560 122.119 120.570 -0.018 0.000 2.331 996 I HA 0.132 4.299 4.170 -0.006 0.000 0.292 996 I C -0.057 176.039 176.117 -0.035 0.000 0.998 996 I CA -0.033 61.254 61.300 -0.023 0.000 1.267 996 I CB 1.395 39.380 38.000 -0.025 0.000 1.386 996 I HN -0.190 nan 8.210 nan 0.000 0.476 997 T N 7.307 121.841 114.554 -0.033 0.000 2.812 997 T HA 0.566 4.913 4.350 -0.006 0.000 0.282 997 T C 0.027 174.700 174.700 -0.045 0.000 0.990 997 T CA -0.481 61.595 62.100 -0.040 0.000 0.960 997 T CB 1.400 70.252 68.868 -0.026 0.000 0.948 997 T HN 0.248 nan 8.240 nan 0.000 0.438 998 L N 4.354 125.533 121.223 -0.074 0.000 2.312 998 L HA 0.467 4.803 4.340 -0.006 0.000 0.281 998 L C 0.885 177.741 176.870 -0.024 0.000 1.070 998 L CA -0.572 54.220 54.840 -0.080 0.000 0.805 998 L CB 1.136 43.054 42.059 -0.236 0.000 1.174 998 L HN 0.592 nan 8.230 nan 0.000 0.434 999 L N 2.666 123.905 121.223 0.026 0.000 2.349 999 L HA 0.264 4.600 4.340 -0.006 0.000 0.200 999 L C 0.590 177.504 176.870 0.073 0.000 1.064 999 L CA 0.312 55.175 54.840 0.038 0.000 0.821 999 L CB 0.142 42.220 42.059 0.031 0.000 1.027 999 L HN 0.701 nan 8.230 nan 0.000 0.476 1000 R N -0.759 119.817 120.500 0.127 0.000 2.728 1000 R HA 0.378 4.714 4.340 -0.006 0.000 0.274 1000 R C -1.300 175.113 176.300 0.188 0.000 1.030 1000 R CA -0.852 55.333 56.100 0.142 0.000 0.876 1000 R CB 1.153 31.498 30.300 0.074 0.000 1.259 1000 R HN -0.189 nan 8.270 nan 0.000 0.468 1001 E N 0.601 120.854 120.200 0.088 0.000 2.354 1001 E HA 0.177 4.524 4.350 -0.006 0.000 0.269 1001 E C 0.079 176.642 176.600 -0.062 0.000 1.036 1001 E CA -0.212 56.133 56.400 -0.091 0.000 0.876 1001 E CB 1.215 30.828 29.700 -0.144 0.000 1.009 1001 E HN 0.416 nan 8.360 nan 0.000 0.416 1002 L N 1.219 122.379 121.223 -0.105 0.000 2.609 1002 L HA 0.323 4.659 4.340 -0.006 0.000 0.230 1002 L C 0.821 177.657 176.870 -0.057 0.000 1.064 1002 L CA 0.209 55.022 54.840 -0.045 0.000 0.873 1002 L CB 0.546 42.597 42.059 -0.014 0.000 1.139 1002 L HN 0.758 nan 8.230 nan 0.000 0.490 1003 G N -0.436 108.297 108.800 -0.111 0.000 2.339 1003 G HA2 -0.034 3.922 3.960 -0.006 0.000 0.381 1003 G HA3 -0.034 3.922 3.960 -0.006 0.000 0.381 1003 G C -1.431 173.410 174.900 -0.100 0.000 1.400 1003 G CA -0.873 44.175 45.100 -0.087 0.000 1.002 1003 G HN -0.191 nan 8.290 nan 0.000 0.633 1004 Q N -0.064 119.690 119.800 -0.077 0.000 2.311 1004 Q HA 0.482 4.818 4.340 -0.006 0.000 0.272 1004 Q C 0.818 176.794 176.000 -0.040 0.000 1.012 1004 Q CA 0.888 56.650 55.803 -0.068 0.000 0.891 1004 Q CB 1.273 29.977 28.738 -0.057 0.000 1.201 1004 Q HN 1.028 nan 8.270 nan 0.000 0.391 1005 G N 0.388 109.173 108.800 -0.026 0.000 2.601 1005 G HA2 0.287 4.243 3.960 -0.006 0.000 0.317 1005 G HA3 0.287 4.243 3.960 -0.006 0.000 0.317 1005 G C 0.801 175.697 174.900 -0.006 0.000 1.246 1005 G CA -0.113 44.995 45.100 0.014 0.000 1.012 1005 G HN 0.618 nan 8.290 nan 0.000 0.494 1006 S N -0.994 114.705 115.700 -0.003 0.000 2.419 1006 S HA -0.108 4.358 4.470 -0.006 0.000 0.235 1006 S C 1.595 176.036 174.600 -0.266 0.000 1.019 1006 S CA 1.353 59.471 58.200 -0.136 0.000 0.982 1006 S CB -0.294 62.802 63.200 -0.173 0.000 0.789 1006 S HN 0.365 nan 8.310 nan 0.000 0.490 1007 F N 1.682 121.592 119.950 -0.066 0.000 2.717 1007 F HA 0.521 5.044 4.527 -0.007 0.000 0.295 1007 F C 1.529 177.186 175.800 -0.238 0.000 1.117 1007 F CA 0.385 58.285 58.000 -0.167 0.000 1.361 1007 F CB 0.829 39.674 39.000 -0.257 0.000 1.112 1007 F HN 0.540 nan 8.300 nan 0.000 0.594 1008 G N -0.414 108.377 108.800 -0.015 0.000 2.323 1008 G HA2 0.292 4.248 3.960 -0.006 0.000 0.291 1008 G HA3 0.292 4.248 3.960 -0.006 0.000 0.291 1008 G C -1.579 173.283 174.900 -0.063 0.000 1.278 1008 G CA -1.068 43.992 45.100 -0.066 0.000 0.860 1008 G HN -0.153 nan 8.290 nan 0.000 0.504 1009 M N 0.805 120.349 119.600 -0.093 0.000 2.239 1009 M HA 0.544 5.020 4.480 -0.006 0.000 0.348 1009 M C -0.224 175.946 176.300 -0.217 0.000 1.239 1009 M CA -0.094 55.076 55.300 -0.218 0.000 1.114 1009 M CB 0.815 33.200 32.600 -0.358 0.000 1.641 1009 M HN 0.425 nan 8.290 nan 0.000 0.453 1010 V N 6.983 126.747 119.914 -0.250 0.000 2.483 1010 V HA 0.483 4.599 4.120 -0.006 0.000 0.295 1010 V C -0.972 174.996 176.094 -0.211 0.000 1.035 1010 V CA -0.549 61.695 62.300 -0.092 0.000 0.896 1010 V CB 1.180 32.996 31.823 -0.012 0.000 0.986 1010 V HN 0.782 nan 8.190 nan 0.000 0.447 1011 Y N 1.152 121.465 120.300 0.023 0.000 2.562 1011 Y HA 0.533 5.078 4.550 -0.007 0.000 0.343 1011 Y C 0.242 176.150 175.900 0.014 0.000 1.025 1011 Y CA -1.028 57.081 58.100 0.016 0.000 1.082 1011 Y CB 1.416 39.883 38.460 0.012 0.000 1.264 1011 Y HN 0.606 nan 8.280 nan 0.000 0.478 1012 E N 0.656 120.968 120.200 0.186 0.000 2.216 1012 E HA 0.635 4.981 4.350 -0.006 0.000 0.279 1012 E C -0.485 176.170 176.600 0.092 0.000 0.997 1012 E CA -0.321 56.139 56.400 0.100 0.000 0.817 1012 E CB 1.113 30.849 29.700 0.060 0.000 1.096 1012 E HN 0.908 nan 8.360 nan 0.000 0.393 1013 G N 2.811 111.643 108.800 0.053 0.000 2.782 1013 G HA2 0.308 4.265 3.960 -0.006 0.000 0.304 1013 G HA3 0.308 4.265 3.960 -0.006 0.000 0.304 1013 G C -1.283 173.622 174.900 0.009 0.000 1.315 1013 G CA -0.601 44.514 45.100 0.025 0.000 0.791 1013 G HN 0.528 nan 8.290 nan 0.000 0.519 1014 N N -0.427 118.272 118.700 -0.002 0.000 2.235 1014 N HA 0.690 5.426 4.740 -0.006 0.000 0.293 1014 N C -1.038 174.467 175.510 -0.008 0.000 1.083 1014 N CA -0.200 52.846 53.050 -0.007 0.000 0.801 1014 N CB 2.279 40.759 38.487 -0.012 0.000 1.559 1014 N HN 0.833 nan 8.380 nan 0.000 0.472 1015 A N 1.556 124.372 122.820 -0.007 0.000 2.343 1015 A HA 0.503 4.819 4.320 -0.006 0.000 0.308 1015 A C -0.220 177.358 177.584 -0.011 0.000 1.092 1015 A CA -0.715 51.318 52.037 -0.007 0.000 0.751 1015 A CB 1.177 20.178 19.000 0.001 0.000 1.203 1015 A HN 0.624 nan 8.150 nan 0.000 0.452 1016 R N 2.732 123.225 120.500 -0.012 0.000 2.308 1016 R HA 0.266 4.603 4.340 -0.006 0.000 0.305 1016 R C -0.959 175.332 176.300 -0.016 0.000 1.053 1016 R CA -0.154 55.937 56.100 -0.015 0.000 0.957 1016 R CB 0.245 30.536 30.300 -0.015 0.000 1.022 1016 R HN 0.788 nan 8.270 nan 0.000 0.461 1017 D N 3.981 124.370 120.400 -0.019 0.000 2.740 1017 D HA -0.247 4.389 4.640 -0.006 0.000 0.231 1017 D C 0.371 176.655 176.300 -0.027 0.000 1.194 1017 D CA 0.963 54.949 54.000 -0.024 0.000 0.673 1017 D CB -0.547 40.239 40.800 -0.024 0.000 0.995 1017 D HN 0.686 nan 8.370 nan 0.000 0.411 1018 I N -0.837 119.718 120.570 -0.025 0.000 3.939 1018 I HA 0.109 4.275 4.170 -0.006 0.000 0.313 1018 I C 0.421 176.512 176.117 -0.043 0.000 1.274 1018 I CA 0.233 61.516 61.300 -0.028 0.000 1.301 1018 I CB 0.605 38.600 38.000 -0.008 0.000 1.105 1018 I HN -0.016 nan 8.210 nan 0.000 0.427 1019 I N 2.002 122.550 120.570 -0.036 0.000 2.418 1019 I HA 0.210 4.376 4.170 -0.006 0.000 0.287 1019 I C -0.161 175.932 176.117 -0.040 0.000 1.008 1019 I CA -0.759 60.517 61.300 -0.041 0.000 1.104 1019 I CB 1.750 39.737 38.000 -0.023 0.000 1.264 1019 I HN -0.053 nan 8.210 nan 0.000 0.438 1020 K N 4.504 124.875 120.400 -0.049 0.000 2.484 1020 K HA 0.192 4.508 4.320 -0.006 0.000 0.280 1020 K C 1.053 177.635 176.600 -0.030 0.000 1.013 1020 K CA 1.395 57.657 56.287 -0.042 0.000 1.029 1020 K CB 0.315 32.786 32.500 -0.047 0.000 0.902 1020 K HN 0.935 nan 8.250 nan 0.000 0.481 1021 G N 2.732 111.516 108.800 -0.026 0.000 2.232 1021 G HA2 -0.248 3.708 3.960 -0.006 0.000 0.226 1021 G HA3 -0.248 3.708 3.960 -0.006 0.000 0.226 1021 G C -0.607 174.282 174.900 -0.019 0.000 0.996 1021 G CA 0.399 45.487 45.100 -0.020 0.000 0.626 1021 G HN 0.718 nan 8.290 nan 0.000 0.509 1022 E N -0.168 120.020 120.200 -0.021 0.000 2.246 1022 E HA 0.771 5.117 4.350 -0.006 0.000 0.266 1022 E C 0.925 177.512 176.600 -0.022 0.000 0.880 1022 E CA -0.291 56.096 56.400 -0.021 0.000 0.762 1022 E CB 1.720 31.407 29.700 -0.022 0.000 1.180 1022 E HN 0.642 nan 8.360 nan 0.000 0.416 1023 A N 3.963 126.771 122.820 -0.021 0.000 1.908 1023 A HA -0.204 4.113 4.320 -0.006 0.000 0.218 1023 A C 0.855 178.427 177.584 -0.020 0.000 1.181 1023 A CA 1.950 53.976 52.037 -0.020 0.000 0.627 1023 A CB -0.509 18.480 19.000 -0.018 0.000 0.818 1023 A HN 0.813 nan 8.150 nan 0.000 0.445 1024 E N -2.298 117.889 120.200 -0.022 0.000 2.356 1024 E HA 0.597 4.943 4.350 -0.006 0.000 0.275 1024 E C -1.447 175.138 176.600 -0.024 0.000 0.904 1024 E CA -0.785 55.603 56.400 -0.021 0.000 0.757 1024 E CB 1.567 31.255 29.700 -0.020 0.000 1.232 1024 E HN -0.055 nan 8.360 nan 0.000 0.442 1025 T N 1.928 116.470 114.554 -0.020 0.000 2.861 1025 T HA 0.403 4.749 4.350 -0.006 0.000 0.287 1025 T C -0.455 174.234 174.700 -0.017 0.000 1.003 1025 T CA -0.834 61.254 62.100 -0.020 0.000 0.977 1025 T CB 1.085 69.947 68.868 -0.011 0.000 0.996 1025 T HN 0.348 nan 8.240 nan 0.000 0.448 1026 R N 1.667 122.151 120.500 -0.026 0.000 2.491 1026 R HA 0.564 4.900 4.340 -0.006 0.000 0.283 1026 R C 0.049 176.347 176.300 -0.004 0.000 1.072 1026 R CA -0.479 55.609 56.100 -0.020 0.000 1.048 1026 R CB 0.512 30.789 30.300 -0.038 0.000 0.983 1026 R HN 0.513 nan 8.270 nan 0.000 0.450 1027 V N -1.464 118.455 119.914 0.008 0.000 3.181 1027 V HA 0.886 5.002 4.120 -0.006 0.000 0.308 1027 V C -0.833 175.282 176.094 0.036 0.000 1.214 1027 V CA -1.273 61.040 62.300 0.022 0.000 1.053 1027 V CB 2.062 33.900 31.823 0.025 0.000 1.069 1027 V HN 0.806 nan 8.190 nan 0.000 0.441 1028 A N 1.268 124.115 122.820 0.045 0.000 2.317 1028 A HA 0.878 5.194 4.320 -0.006 0.000 0.327 1028 A C -0.685 176.947 177.584 0.081 0.000 1.178 1028 A CA -0.681 51.395 52.037 0.065 0.000 0.817 1028 A CB 1.479 20.511 19.000 0.053 0.000 1.189 1028 A HN 1.480 nan 8.150 nan 0.000 0.489 1029 V N 3.419 123.409 119.914 0.127 0.000 2.407 1029 V HA 0.293 4.410 4.120 -0.006 0.000 0.291 1029 V C -0.038 176.184 176.094 0.213 0.000 1.018 1029 V CA -0.654 61.731 62.300 0.141 0.000 0.842 1029 V CB 1.303 33.193 31.823 0.111 0.000 0.996 1029 V HN 0.918 nan 8.190 nan 0.000 0.426 1030 K N 2.881 123.399 120.400 0.196 0.000 2.174 1030 K HA 0.706 5.022 4.320 -0.006 0.000 0.275 1030 K C 0.242 177.036 176.600 0.324 0.000 1.015 1030 K CA -0.333 56.113 56.287 0.265 0.000 0.933 1030 K CB 1.680 34.378 32.500 0.329 0.000 1.025 1030 K HN 0.894 nan 8.250 nan 0.000 0.463 1031 T N -2.335 112.320 114.554 0.169 0.000 2.838 1031 T HA 0.472 4.818 4.350 -0.006 0.000 0.292 1031 T C -1.009 173.442 174.700 -0.415 0.000 1.113 1031 T CA -0.897 61.197 62.100 -0.011 0.000 1.008 1031 T CB 1.514 70.459 68.868 0.130 0.000 1.259 1031 T HN 0.284 nan 8.240 nan 0.000 0.520 1032 V N 1.004 120.623 119.914 -0.492 0.000 2.555 1032 V HA 0.479 4.595 4.120 -0.006 0.000 0.302 1032 V C -0.045 175.935 176.094 -0.190 0.000 1.038 1032 V CA -0.974 61.024 62.300 -0.503 0.000 0.887 1032 V CB 0.941 32.374 31.823 -0.651 0.000 0.991 1032 V HN 1.038 nan 8.190 nan 0.000 0.434 1033 N N 4.251 122.880 118.700 -0.118 0.000 2.237 1033 N HA 0.076 4.812 4.740 -0.006 0.000 0.245 1033 N C 1.343 176.827 175.510 -0.044 0.000 1.239 1033 N CA 0.942 53.955 53.050 -0.061 0.000 0.842 1033 N CB 0.577 39.035 38.487 -0.049 0.000 1.089 1033 N HN 0.930 nan 8.380 nan 0.000 0.454 1034 E N 0.508 120.693 120.200 -0.024 0.000 2.204 1034 E HA -0.116 4.230 4.350 -0.006 0.000 0.194 1034 E C 1.606 178.201 176.600 -0.008 0.000 0.989 1034 E CA 1.316 57.708 56.400 -0.013 0.000 0.824 1034 E CB -0.359 29.338 29.700 -0.004 0.000 0.756 1034 E HN 0.569 nan 8.360 nan 0.000 0.477 1035 S N -0.071 115.623 115.700 -0.011 0.000 2.562 1035 S HA 0.450 4.916 4.470 -0.006 0.000 0.221 1035 S C 1.246 175.845 174.600 -0.001 0.000 0.975 1035 S CA 0.214 58.411 58.200 -0.005 0.000 0.918 1035 S CB -0.022 63.172 63.200 -0.009 0.000 0.772 1035 S HN 0.808 nan 8.310 nan 0.000 0.531 1036 A N 2.625 125.443 122.820 -0.003 0.000 2.498 1036 A HA 0.422 4.738 4.320 -0.006 0.000 0.239 1036 A C 0.842 178.444 177.584 0.030 0.000 1.068 1036 A CA -0.391 51.653 52.037 0.012 0.000 0.766 1036 A CB 0.084 19.091 19.000 0.011 0.000 1.003 1036 A HN 0.444 nan 8.150 nan 0.000 0.497 1037 S N 2.102 117.830 115.700 0.047 0.000 2.624 1037 S HA 0.287 4.754 4.470 -0.006 0.000 0.263 1037 S C 1.174 175.827 174.600 0.090 0.000 1.287 1037 S CA -0.084 58.158 58.200 0.070 0.000 0.990 1037 S CB 0.604 63.855 63.200 0.084 0.000 0.950 1037 S HN 0.907 nan 8.310 nan 0.000 0.561 1038 L N 0.535 121.835 121.223 0.129 0.000 2.042 1038 L HA -0.129 4.207 4.340 -0.006 0.000 0.210 1038 L C 3.014 179.970 176.870 0.143 0.000 1.076 1038 L CA 1.442 56.378 54.840 0.160 0.000 0.749 1038 L CB -0.323 41.875 42.059 0.231 0.000 0.893 1038 L HN 0.849 nan 8.230 nan 0.000 0.432 1039 R N 0.249 120.838 120.500 0.149 0.000 2.091 1039 R HA -0.226 4.110 4.340 -0.006 0.000 0.238 1039 R C 1.974 178.236 176.300 -0.064 0.000 1.136 1039 R CA 2.193 58.212 56.100 -0.135 0.000 0.959 1039 R CB -0.283 29.956 30.300 -0.102 0.000 0.856 1039 R HN 0.570 nan 8.270 nan 0.000 0.437 1040 E N -0.401 119.827 120.200 0.047 0.000 2.150 1040 E HA -0.147 4.199 4.350 -0.006 0.000 0.193 1040 E C 2.219 178.914 176.600 0.159 0.000 0.985 1040 E CA 0.877 57.362 56.400 0.141 0.000 0.814 1040 E CB 0.002 29.787 29.700 0.143 0.000 0.752 1040 E HN 0.333 nan 8.360 nan 0.000 0.466 1041 R N 0.398 120.947 120.500 0.083 0.000 2.092 1041 R HA -0.064 4.272 4.340 -0.006 0.000 0.231 1041 R C 2.313 178.642 176.300 0.049 0.000 1.119 1041 R CA 0.942 57.079 56.100 0.061 0.000 0.970 1041 R CB -0.174 30.154 30.300 0.046 0.000 0.864 1041 R HN 0.200 nan 8.270 nan 0.000 0.440 1042 I N 0.809 121.382 120.570 0.005 0.000 2.252 1042 I HA -0.222 3.944 4.170 -0.006 0.000 0.245 1042 I C 1.923 177.997 176.117 -0.071 0.000 1.102 1042 I CA 1.343 62.616 61.300 -0.044 0.000 1.385 1042 I CB -0.240 37.697 38.000 -0.106 0.000 1.064 1042 I HN 0.216 nan 8.210 nan 0.000 0.414 1043 E N 0.506 120.683 120.200 -0.037 0.000 2.118 1043 E HA -0.263 4.083 4.350 -0.006 0.000 0.195 1043 E C 2.061 178.582 176.600 -0.132 0.000 0.992 1043 E CA 1.349 57.746 56.400 -0.006 0.000 0.804 1043 E CB -0.239 29.553 29.700 0.152 0.000 0.741 1043 E HN 0.390 nan 8.360 nan 0.000 0.458 1044 F N 1.533 121.175 119.950 -0.514 0.000 2.095 1044 F HA -0.203 4.321 4.527 -0.006 0.000 0.298 1044 F C 2.081 177.535 175.800 -0.578 0.000 1.104 1044 F CA 1.108 58.484 58.000 -1.040 0.000 1.232 1044 F CB -0.332 38.105 39.000 -0.939 0.000 0.987 1044 F HN -0.018 nan 8.300 nan 0.000 0.475 1045 L N 0.909 121.870 121.223 -0.437 0.000 2.141 1045 L HA -0.166 4.170 4.340 -0.006 0.000 0.209 1045 L C 2.011 178.669 176.870 -0.352 0.000 1.094 1045 L CA 1.589 56.134 54.840 -0.491 0.000 0.763 1045 L CB -1.159 40.722 42.059 -0.297 0.000 0.908 1045 L HN 0.074 nan 8.230 nan 0.000 0.437 1046 N N -0.108 118.453 118.700 -0.230 0.000 2.166 1046 N HA -0.179 4.557 4.740 -0.006 0.000 0.186 1046 N C 1.711 177.099 175.510 -0.203 0.000 1.019 1046 N CA 1.321 54.279 53.050 -0.153 0.000 0.856 1046 N CB -0.103 38.323 38.487 -0.101 0.000 0.993 1046 N HN 0.503 nan 8.380 nan 0.000 0.426 1047 E N 0.455 120.490 120.200 -0.275 0.000 2.106 1047 E HA -0.064 4.282 4.350 -0.006 0.000 0.192 1047 E C 1.869 178.249 176.600 -0.367 0.000 0.984 1047 E CA 0.861 57.092 56.400 -0.283 0.000 0.806 1047 E CB -0.044 29.493 29.700 -0.272 0.000 0.750 1047 E HN 0.345 nan 8.360 nan 0.000 0.458 1048 A N 1.013 123.552 122.820 -0.468 0.000 1.877 1048 A HA -0.220 4.096 4.320 -0.006 0.000 0.216 1048 A C 2.291 179.646 177.584 -0.382 0.000 1.186 1048 A CA 1.836 53.588 52.037 -0.475 0.000 0.620 1048 A CB -0.722 17.921 19.000 -0.595 0.000 0.822 1048 A HN 0.227 nan 8.150 nan 0.000 0.443 1049 S N -0.644 114.911 115.700 -0.242 0.000 2.370 1049 S HA -0.151 4.315 4.470 -0.006 0.000 0.226 1049 S C 1.894 176.305 174.600 -0.315 0.000 1.033 1049 S CA 1.743 59.838 58.200 -0.174 0.000 1.011 1049 S CB -0.524 62.645 63.200 -0.052 0.000 0.852 1049 S HN 0.313 nan 8.310 nan 0.000 0.457 1050 V N 2.301 122.026 119.914 -0.315 0.000 2.407 1050 V HA -0.139 3.977 4.120 -0.006 0.000 0.248 1050 V C 2.431 178.110 176.094 -0.692 0.000 1.055 1050 V CA 1.574 63.641 62.300 -0.389 0.000 1.049 1050 V CB -0.552 31.110 31.823 -0.269 0.000 0.662 1050 V HN 0.524 nan 8.190 nan 0.000 0.455 1051 M N -0.520 118.703 119.600 -0.629 0.000 2.549 1051 M HA -0.097 4.379 4.480 -0.006 0.000 0.260 1051 M C 1.958 177.860 176.300 -0.663 0.000 1.076 1051 M CA 1.245 56.153 55.300 -0.652 0.000 1.090 1051 M CB -1.106 31.262 32.600 -0.387 0.000 1.418 1051 M HN 0.377 nan 8.290 nan 0.000 0.486 1052 K N -0.274 119.678 120.400 -0.748 0.000 2.209 1052 K HA -0.061 4.255 4.320 -0.006 0.000 0.204 1052 K C 1.901 178.277 176.600 -0.373 0.000 1.048 1052 K CA 1.236 56.987 56.287 -0.893 0.000 0.940 1052 K CB -0.350 31.611 32.500 -0.899 0.000 0.729 1052 K HN 0.446 nan 8.250 nan 0.000 0.451 1053 G N 0.470 109.026 108.800 -0.407 0.000 2.920 1053 G HA2 -0.032 3.924 3.960 -0.006 0.000 0.208 1053 G HA3 -0.032 3.924 3.960 -0.006 0.000 0.208 1053 G C -0.047 174.874 174.900 0.034 0.000 1.159 1053 G CA -0.129 44.855 45.100 -0.195 0.000 0.784 1053 G HN -0.012 nan 8.290 nan 0.000 0.535 1054 F N 1.031 121.006 119.950 0.041 0.000 2.408 1054 F HA 0.469 4.991 4.527 -0.008 0.000 0.344 1054 F C 0.910 176.761 175.800 0.084 0.000 1.112 1054 F CA -1.669 56.421 58.000 0.150 0.000 1.096 1054 F CB 1.891 40.948 39.000 0.096 0.000 1.129 1054 F HN -0.039 nan 8.300 nan 0.000 0.486 1055 T N -1.580 113.121 114.554 0.245 0.000 3.516 1055 T HA 0.201 4.547 4.350 -0.006 0.000 0.300 1055 T C -0.350 174.237 174.700 -0.189 0.000 0.995 1055 T CA -0.414 61.726 62.100 0.067 0.000 0.982 1055 T CB -0.676 68.275 68.868 0.138 0.000 1.199 1055 T HN 0.561 nan 8.240 nan 0.000 0.481 1056 C N 2.046 121.035 119.300 -0.520 0.000 2.388 1056 C HA 0.524 4.980 4.460 -0.006 0.000 0.362 1056 C C 1.957 176.754 174.990 -0.322 0.000 1.266 1056 C CA -0.086 58.530 59.018 -0.670 0.000 2.028 1056 C CB -0.076 26.885 27.740 -1.297 0.000 2.440 1056 C HN 0.837 nan 8.230 nan 0.000 0.547 1057 H N 1.540 120.377 119.070 -0.389 0.000 2.491 1057 H HA -0.003 4.559 4.556 0.010 0.000 0.290 1057 H C 1.148 176.236 175.328 -0.399 0.000 1.050 1057 H CA 1.952 57.759 56.048 -0.402 0.000 1.309 1057 H CB -0.076 29.363 29.762 -0.538 0.000 1.392 1057 H HN 0.907 nan 8.280 nan 0.000 0.554 1058 H N -1.292 117.709 119.070 -0.114 0.000 2.505 1058 H HA 0.350 4.903 4.556 -0.005 0.000 0.289 1058 H C -0.682 174.571 175.328 -0.124 0.000 1.052 1058 H CA -0.276 55.711 56.048 -0.101 0.000 1.156 1058 H CB 0.752 30.522 29.762 0.013 0.000 1.507 1058 H HN 0.005 nan 8.280 nan 0.000 0.548 1059 V N 1.496 121.352 119.914 -0.097 0.000 2.577 1059 V HA 0.101 4.217 4.120 -0.006 0.000 0.303 1059 V C 0.012 176.074 176.094 -0.053 0.000 1.042 1059 V CA -1.111 61.143 62.300 -0.075 0.000 0.872 1059 V CB 2.419 34.155 31.823 -0.144 0.000 0.998 1059 V HN -0.014 nan 8.190 nan 0.000 0.423 1060 V N 5.929 125.842 119.914 -0.001 0.000 2.509 1060 V HA 0.080 4.196 4.120 -0.006 0.000 0.297 1060 V C 0.804 176.913 176.094 0.025 0.000 1.014 1060 V CA 0.381 62.683 62.300 0.004 0.000 1.127 1060 V CB -0.177 31.664 31.823 0.030 0.000 0.925 1060 V HN 0.763 nan 8.190 nan 0.000 0.480 1061 R N 3.384 123.894 120.500 0.017 0.000 2.536 1061 R HA 0.542 4.878 4.340 -0.006 0.000 0.279 1061 R C -0.442 175.891 176.300 0.054 0.000 1.001 1061 R CA -1.009 55.121 56.100 0.050 0.000 1.027 1061 R CB 1.317 31.657 30.300 0.065 0.000 1.096 1061 R HN 0.575 nan 8.270 nan 0.000 0.502 1062 L N 2.550 123.796 121.223 0.039 0.000 2.397 1062 L HA 0.133 4.469 4.340 -0.006 0.000 0.271 1062 L C 0.080 177.087 176.870 0.229 0.000 1.148 1062 L CA 0.620 55.467 54.840 0.011 0.000 0.825 1062 L CB 0.597 42.520 42.059 -0.227 0.000 1.117 1062 L HN 0.679 nan 8.230 nan 0.000 0.456 1063 L N 3.771 125.132 121.223 0.230 0.000 2.653 1063 L HA 0.547 4.883 4.340 -0.006 0.000 0.230 1063 L C 0.782 177.850 176.870 0.329 0.000 1.055 1063 L CA 0.315 55.322 54.840 0.279 0.000 0.880 1063 L CB 0.380 42.515 42.059 0.126 0.000 1.195 1063 L HN 0.823 nan 8.230 nan 0.000 0.492 1064 G N -0.473 108.492 108.800 0.275 0.000 2.466 1064 G HA2 0.507 4.463 3.960 -0.006 0.000 0.291 1064 G HA3 0.507 4.463 3.960 -0.006 0.000 0.291 1064 G C -2.053 172.918 174.900 0.118 0.000 1.460 1064 G CA -0.381 44.874 45.100 0.259 0.000 0.791 1064 G HN -0.290 nan 8.290 nan 0.000 0.505 1065 V N -0.372 119.605 119.914 0.105 0.000 2.841 1065 V HA 0.665 4.781 4.120 -0.006 0.000 0.310 1065 V C -0.526 175.550 176.094 -0.031 0.000 1.090 1065 V CA -0.770 61.495 62.300 -0.058 0.000 0.930 1065 V CB 2.072 33.748 31.823 -0.245 0.000 1.014 1065 V HN 0.740 nan 8.190 nan 0.000 0.425 1066 V N 3.302 123.168 119.914 -0.079 0.000 2.304 1066 V HA 0.314 4.430 4.120 -0.006 0.000 0.278 1066 V C 0.764 176.813 176.094 -0.075 0.000 1.018 1066 V CA 0.264 62.542 62.300 -0.036 0.000 0.814 1066 V CB 1.297 33.109 31.823 -0.017 0.000 1.021 1066 V HN 1.059 nan 8.190 nan 0.000 0.440 1067 S N 1.923 117.587 115.700 -0.060 0.000 2.539 1067 S HA 0.220 4.686 4.470 -0.006 0.000 0.221 1067 S C 0.894 175.501 174.600 0.013 0.000 0.987 1067 S CA 0.200 58.361 58.200 -0.065 0.000 0.929 1067 S CB 0.045 63.190 63.200 -0.091 0.000 0.832 1067 S HN 0.742 nan 8.310 nan 0.000 0.492 1068 K N 1.628 122.043 120.400 0.025 0.000 2.273 1068 K HA 0.646 4.962 4.320 -0.006 0.000 0.287 1068 K C 0.925 177.534 176.600 0.016 0.000 1.089 1068 K CA -0.047 56.258 56.287 0.029 0.000 0.909 1068 K CB -0.826 31.692 32.500 0.031 0.000 1.123 1068 K HN 1.406 nan 8.250 nan 0.000 0.473 1069 G N 1.009 109.819 108.800 0.017 0.000 2.725 1069 G HA2 -0.095 3.861 3.960 -0.006 0.000 0.220 1069 G HA3 -0.095 3.861 3.960 -0.006 0.000 0.220 1069 G C -0.880 174.025 174.900 0.009 0.000 1.357 1069 G CA -0.425 44.682 45.100 0.012 0.000 0.866 1069 G HN 0.864 nan 8.290 nan 0.000 0.548 1070 Q N 0.221 120.024 119.800 0.006 0.000 2.345 1070 Q HA 0.650 4.986 4.340 -0.006 0.000 0.268 1070 Q C -1.902 174.096 176.000 -0.004 0.000 1.054 1070 Q CA -1.372 54.434 55.803 0.004 0.000 0.835 1070 Q CB 1.862 30.604 28.738 0.006 0.000 1.339 1070 Q HN 0.725 nan 8.270 nan 0.000 0.447 1071 P HA 0.252 nan 4.420 nan 0.000 0.281 1071 P C -0.657 176.651 177.300 0.014 0.000 1.249 1071 P CA -0.362 62.738 63.100 -0.000 0.000 0.810 1071 P CB 0.764 32.460 31.700 -0.007 0.000 1.008 1072 T N 2.336 116.913 114.554 0.037 0.000 2.916 1072 T HA 0.291 4.638 4.350 -0.006 0.000 0.303 1072 T C 0.277 175.057 174.700 0.134 0.000 1.025 1072 T CA 0.086 62.229 62.100 0.071 0.000 1.142 1072 T CB -0.102 68.847 68.868 0.134 0.000 0.947 1072 T HN 0.214 nan 8.240 nan 0.000 0.544 1073 L N 3.138 124.400 121.223 0.065 0.000 2.362 1073 L HA 0.625 4.961 4.340 -0.006 0.000 0.275 1073 L C -0.657 176.208 176.870 -0.007 0.000 0.998 1073 L CA -1.171 53.715 54.840 0.077 0.000 0.820 1073 L CB 1.994 44.067 42.059 0.023 0.000 1.270 1073 L HN 0.312 nan 8.230 nan 0.000 0.415 1074 V N 3.843 123.766 119.914 0.014 0.000 2.350 1074 V HA 0.314 4.430 4.120 -0.006 0.000 0.285 1074 V C -0.001 176.078 176.094 -0.026 0.000 1.014 1074 V CA -0.618 61.603 62.300 -0.131 0.000 0.831 1074 V CB 2.045 33.657 31.823 -0.353 0.000 1.000 1074 V HN 0.441 nan 8.190 nan 0.000 0.433 1075 V N 6.505 126.409 119.914 -0.017 0.000 2.406 1075 V HA 0.486 4.602 4.120 -0.006 0.000 0.272 1075 V C 0.234 176.345 176.094 0.029 0.000 1.043 1075 V CA -0.253 62.061 62.300 0.024 0.000 0.915 1075 V CB 1.129 32.974 31.823 0.037 0.000 0.988 1075 V HN 0.704 nan 8.190 nan 0.000 0.466 1076 M N 3.219 122.839 119.600 0.033 0.000 2.777 1076 M HA 0.492 4.968 4.480 -0.006 0.000 0.307 1076 M C 0.118 176.441 176.300 0.038 0.000 1.228 1076 M CA -0.785 54.535 55.300 0.033 0.000 0.871 1076 M CB 1.901 34.515 32.600 0.024 0.000 1.721 1076 M HN 0.860 nan 8.290 nan 0.000 0.487 1077 E N 0.920 121.141 120.200 0.036 0.000 2.398 1077 E HA 0.350 4.696 4.350 -0.006 0.000 0.263 1077 E C -1.096 175.517 176.600 0.021 0.000 1.046 1077 E CA -0.605 55.811 56.400 0.028 0.000 0.908 1077 E CB 0.871 30.582 29.700 0.019 0.000 0.963 1077 E HN 0.457 nan 8.360 nan 0.000 0.431 1078 L N 3.216 124.450 121.223 0.018 0.000 2.349 1078 L HA 0.219 4.555 4.340 -0.006 0.000 0.275 1078 L C -0.569 176.304 176.870 0.004 0.000 1.115 1078 L CA -0.153 54.694 54.840 0.012 0.000 0.820 1078 L CB 1.120 43.181 42.059 0.003 0.000 1.135 1078 L HN 0.666 nan 8.230 nan 0.000 0.445 1079 M N 5.651 125.248 119.600 -0.005 0.000 2.268 1079 M HA 0.287 4.763 4.480 -0.006 0.000 0.340 1079 M C 1.058 177.331 176.300 -0.044 0.000 1.099 1079 M CA -0.315 54.971 55.300 -0.023 0.000 1.053 1079 M CB 0.332 32.926 32.600 -0.009 0.000 1.284 1079 M HN 0.841 nan 8.290 nan 0.000 0.410 1080 A N 1.412 124.175 122.820 -0.094 0.000 2.042 1080 A HA -0.179 4.138 4.320 -0.006 0.000 0.222 1080 A C 1.485 178.907 177.584 -0.270 0.000 1.167 1080 A CA 1.696 53.616 52.037 -0.195 0.000 0.649 1080 A CB -0.599 18.236 19.000 -0.275 0.000 0.809 1080 A HN 0.756 nan 8.150 nan 0.000 0.457 1081 H N -0.860 118.171 119.070 -0.064 0.000 2.517 1081 H HA 0.334 4.886 4.556 -0.008 0.000 0.282 1081 H C 1.529 176.879 175.328 0.037 0.000 1.023 1081 H CA 0.491 56.527 56.048 -0.020 0.000 1.169 1081 H CB -0.501 29.179 29.762 -0.137 0.000 1.454 1081 H HN 0.667 nan 8.280 nan 0.000 0.556 1082 G N 1.875 110.732 108.800 0.095 0.000 2.645 1082 G HA2 -0.260 3.696 3.960 -0.006 0.000 0.246 1082 G HA3 -0.260 3.696 3.960 -0.006 0.000 0.246 1082 G C -0.109 174.849 174.900 0.097 0.000 1.322 1082 G CA -0.090 45.067 45.100 0.094 0.000 0.898 1082 G HN 0.500 nan 8.290 nan 0.000 0.573 1083 D N -0.094 120.368 120.400 0.103 0.000 2.382 1083 D HA 0.230 4.866 4.640 -0.006 0.000 0.240 1083 D C 1.686 178.073 176.300 0.147 0.000 1.146 1083 D CA -0.052 54.011 54.000 0.103 0.000 0.897 1083 D CB 1.420 42.273 40.800 0.089 0.000 1.197 1083 D HN 0.596 nan 8.370 nan 0.000 0.432 1084 L N 1.626 122.932 121.223 0.138 0.000 2.093 1084 L HA -0.146 4.191 4.340 -0.006 0.000 0.208 1084 L C 2.490 179.487 176.870 0.210 0.000 1.085 1084 L CA 1.718 56.668 54.840 0.183 0.000 0.755 1084 L CB -0.767 41.381 42.059 0.147 0.000 0.904 1084 L HN 0.597 nan 8.230 nan 0.000 0.435 1085 K N -1.009 119.491 120.400 0.166 0.000 2.009 1085 K HA -0.168 4.148 4.320 -0.006 0.000 0.210 1085 K C 2.078 178.762 176.600 0.140 0.000 1.049 1085 K CA 1.827 58.208 56.287 0.156 0.000 0.929 1085 K CB -0.185 32.403 32.500 0.146 0.000 0.714 1085 K HN 0.374 nan 8.250 nan 0.000 0.440 1086 S N 0.151 115.935 115.700 0.140 0.000 2.359 1086 S HA -0.202 4.264 4.470 -0.006 0.000 0.224 1086 S C 1.676 176.361 174.600 0.141 0.000 1.035 1086 S CA 1.537 59.812 58.200 0.125 0.000 1.018 1086 S CB -0.605 62.670 63.200 0.125 0.000 0.876 1086 S HN 0.443 nan 8.310 nan 0.000 0.448 1087 Y N 2.310 122.655 120.300 0.075 0.000 2.128 1087 Y HA -0.170 4.377 4.550 -0.004 0.000 0.284 1087 Y C 1.950 177.875 175.900 0.042 0.000 1.154 1087 Y CA 1.376 59.519 58.100 0.072 0.000 1.149 1087 Y CB -0.593 37.920 38.460 0.089 0.000 0.976 1087 Y HN 0.141 nan 8.280 nan 0.000 0.505 1088 L N -0.096 121.146 121.223 0.032 0.000 2.012 1088 L HA -0.275 4.061 4.340 -0.006 0.000 0.210 1088 L C 2.611 179.410 176.870 -0.118 0.000 1.073 1088 L CA 1.784 56.578 54.840 -0.077 0.000 0.748 1088 L CB -0.552 41.529 42.059 0.038 0.000 0.891 1088 L HN 0.159 nan 8.230 nan 0.000 0.431 1089 R N -0.265 120.209 120.500 -0.044 0.000 2.241 1089 R HA -0.114 4.222 4.340 -0.006 0.000 0.224 1089 R C 2.400 178.658 176.300 -0.069 0.000 1.101 1089 R CA 1.402 57.479 56.100 -0.039 0.000 0.995 1089 R CB -0.311 29.995 30.300 0.010 0.000 0.870 1089 R HN 0.490 nan 8.270 nan 0.000 0.463 1090 S N 0.110 115.744 115.700 -0.109 0.000 2.527 1090 S HA 0.041 4.507 4.470 -0.006 0.000 0.222 1090 S C 1.693 176.196 174.600 -0.162 0.000 0.985 1090 S CA 0.366 58.499 58.200 -0.111 0.000 0.921 1090 S CB 0.013 63.155 63.200 -0.096 0.000 0.772 1090 S HN 0.236 nan 8.310 nan 0.000 0.529 1091 L N 0.464 121.550 121.223 -0.228 0.000 2.592 1091 L HA 0.294 4.630 4.340 -0.006 0.000 0.227 1091 L C 0.987 177.774 176.870 -0.139 0.000 1.127 1091 L CA -0.227 54.483 54.840 -0.216 0.000 0.884 1091 L CB -0.116 41.764 42.059 -0.298 0.000 1.065 1091 L HN 0.109 nan 8.230 nan 0.000 0.457 1092 R N 1.461 121.895 120.500 -0.110 0.000 2.590 1092 R HA 0.040 4.376 4.340 -0.006 0.000 0.274 1092 R C -1.095 175.165 176.300 -0.066 0.000 1.061 1092 R CA -1.175 54.877 56.100 -0.082 0.000 1.081 1092 R CB 0.404 30.666 30.300 -0.063 0.000 0.984 1092 R HN -0.113 nan 8.270 nan 0.000 0.448 1093 P HA -0.201 nan 4.420 nan 0.000 0.216 1093 P C 0.785 178.064 177.300 -0.036 0.000 1.150 1093 P CA 1.772 64.844 63.100 -0.046 0.000 0.837 1093 P CB 0.192 31.866 31.700 -0.043 0.000 0.786 1094 E N -0.095 120.085 120.200 -0.032 0.000 2.489 1094 E HA 0.330 4.676 4.350 -0.006 0.000 0.193 1094 E C 1.243 177.831 176.600 -0.020 0.000 1.057 1094 E CA 0.281 56.668 56.400 -0.023 0.000 0.866 1094 E CB -0.896 28.793 29.700 -0.019 0.000 0.916 1094 E HN 0.477 nan 8.360 nan 0.000 0.500 1095 A N 0.470 123.274 122.820 -0.027 0.000 2.548 1095 A HA 0.467 4.783 4.320 -0.006 0.000 0.247 1095 A C 1.530 179.106 177.584 -0.014 0.000 1.067 1095 A CA 0.636 52.660 52.037 -0.023 0.000 0.757 1095 A CB -0.289 18.688 19.000 -0.038 0.000 0.996 1095 A HN 0.674 nan 8.150 nan 0.000 0.504 1096 E N 2.390 122.587 120.200 -0.005 0.000 2.338 1096 E HA -0.151 4.195 4.350 -0.006 0.000 0.197 1096 E C 0.807 177.410 176.600 0.005 0.000 1.007 1096 E CA 1.190 57.591 56.400 0.001 0.000 0.849 1096 E CB -0.525 29.178 29.700 0.006 0.000 0.774 1096 E HN 0.910 nan 8.360 nan 0.000 0.506 1097 N N 0.078 118.780 118.700 0.004 0.000 2.401 1097 N HA -0.006 4.730 4.740 -0.006 0.000 0.264 1097 N C -0.430 175.082 175.510 0.004 0.000 1.238 1097 N CA -0.440 52.617 53.050 0.013 0.000 0.889 1097 N CB -0.339 38.163 38.487 0.025 0.000 1.196 1097 N HN 0.152 nan 8.380 nan 0.000 0.511 1098 N N 2.907 121.600 118.700 -0.012 0.000 2.440 1098 N HA 0.015 4.751 4.740 -0.006 0.000 0.265 1098 N C -1.249 174.255 175.510 -0.010 0.000 1.239 1098 N CA -0.591 52.442 53.050 -0.029 0.000 0.909 1098 N CB 1.105 39.570 38.487 -0.036 0.000 1.066 1098 N HN 0.203 nan 8.380 nan 0.000 0.474 1099 P HA 0.052 nan 4.420 nan 0.000 0.239 1099 P C 0.517 177.826 177.300 0.016 0.000 1.184 1099 P CA 0.559 63.675 63.100 0.027 0.000 0.760 1099 P CB -0.048 31.682 31.700 0.050 0.000 0.884 1100 G N -1.063 107.732 108.800 -0.008 0.000 2.148 1100 G HA2 -0.218 3.738 3.960 -0.006 0.000 0.254 1100 G HA3 -0.218 3.738 3.960 -0.006 0.000 0.254 1100 G C 0.394 175.281 174.900 -0.022 0.000 0.981 1100 G CA 0.170 45.265 45.100 -0.010 0.000 0.670 1100 G HN 0.853 nan 8.290 nan 0.000 0.528 1101 R N -0.361 120.114 120.500 -0.042 0.000 2.732 1101 R HA 0.912 5.248 4.340 -0.006 0.000 0.278 1101 R C -2.405 173.844 176.300 -0.085 0.000 0.976 1101 R CA -1.004 55.058 56.100 -0.064 0.000 0.963 1101 R CB 0.131 30.380 30.300 -0.085 0.000 1.150 1101 R HN 0.237 nan 8.270 nan 0.000 0.478 1102 P HA 0.339 nan 4.420 nan 0.000 0.274 1102 P C -2.349 174.886 177.300 -0.108 0.000 1.246 1102 P CA -1.152 61.898 63.100 -0.084 0.000 0.795 1102 P CB 0.111 31.768 31.700 -0.070 0.000 1.006 1103 P HA 0.165 nan 4.420 nan 0.000 0.271 1103 P C -2.363 174.877 177.300 -0.100 0.000 1.244 1103 P CA -0.875 62.156 63.100 -0.116 0.000 0.793 1103 P CB -1.141 30.498 31.700 -0.102 0.000 0.984 1104 P HA 0.020 nan 4.420 nan 0.000 0.264 1104 P C -0.012 177.251 177.300 -0.063 0.000 1.193 1104 P CA 0.295 63.358 63.100 -0.061 0.000 0.763 1104 P CB -0.072 31.610 31.700 -0.030 0.000 0.810 1105 T N 0.634 115.153 114.554 -0.058 0.000 2.816 1105 T HA 0.106 4.452 4.350 -0.006 0.000 0.282 1105 T C 1.111 175.782 174.700 -0.048 0.000 0.993 1105 T CA -0.667 61.401 62.100 -0.053 0.000 0.994 1105 T CB 0.354 69.193 68.868 -0.047 0.000 1.025 1105 T HN 0.140 nan 8.240 nan 0.000 0.529 1106 L N 0.634 121.829 121.223 -0.047 0.000 2.042 1106 L HA -0.089 4.247 4.340 -0.006 0.000 0.210 1106 L C 2.879 179.723 176.870 -0.044 0.000 1.076 1106 L CA 2.135 56.946 54.840 -0.048 0.000 0.749 1106 L CB -1.306 40.726 42.059 -0.046 0.000 0.893 1106 L HN 0.980 nan 8.230 nan 0.000 0.432 1107 Q N -0.555 119.223 119.800 -0.037 0.000 2.061 1107 Q HA -0.270 4.066 4.340 -0.006 0.000 0.204 1107 Q C 2.048 178.033 176.000 -0.025 0.000 0.984 1107 Q CA 2.353 58.138 55.803 -0.030 0.000 0.846 1107 Q CB -0.173 28.553 28.738 -0.020 0.000 0.902 1107 Q HN 0.697 nan 8.270 nan 0.000 0.421 1108 E N -0.171 120.014 120.200 -0.024 0.000 2.106 1108 E HA -0.173 4.173 4.350 -0.006 0.000 0.192 1108 E C 2.088 178.680 176.600 -0.013 0.000 0.984 1108 E CA 1.299 57.690 56.400 -0.016 0.000 0.806 1108 E CB -0.069 29.614 29.700 -0.029 0.000 0.750 1108 E HN 0.481 nan 8.360 nan 0.000 0.458 1109 M N 0.274 119.858 119.600 -0.027 0.000 2.175 1109 M HA -0.131 4.345 4.480 -0.006 0.000 0.264 1109 M C 2.103 178.382 176.300 -0.035 0.000 1.063 1109 M CA 0.946 56.227 55.300 -0.031 0.000 1.119 1109 M CB -0.082 32.488 32.600 -0.050 0.000 1.377 1109 M HN 0.119 nan 8.290 nan 0.000 0.415 1110 I N 0.255 120.797 120.570 -0.045 0.000 2.315 1110 I HA -0.237 3.929 4.170 -0.006 0.000 0.248 1110 I C 2.448 178.523 176.117 -0.070 0.000 1.117 1110 I CA 1.529 62.794 61.300 -0.058 0.000 1.404 1110 I CB -1.296 36.662 38.000 -0.070 0.000 1.071 1110 I HN 0.350 nan 8.210 nan 0.000 0.419 1111 Q N 1.018 120.783 119.800 -0.058 0.000 2.084 1111 Q HA -0.143 4.193 4.340 -0.006 0.000 0.202 1111 Q C 2.291 178.273 176.000 -0.030 0.000 0.978 1111 Q CA 1.722 57.488 55.803 -0.062 0.000 0.844 1111 Q CB -0.176 28.559 28.738 -0.003 0.000 0.898 1111 Q HN 0.407 nan 8.270 nan 0.000 0.426 1112 M N -0.655 118.947 119.600 0.004 0.000 2.117 1112 M HA -0.136 4.340 4.480 -0.006 0.000 0.262 1112 M C 2.179 178.518 176.300 0.066 0.000 1.065 1112 M CA 1.496 56.816 55.300 0.034 0.000 1.114 1112 M CB -0.401 32.224 32.600 0.042 0.000 1.361 1112 M HN 0.364 nan 8.290 nan 0.000 0.408 1113 A N 0.415 123.275 122.820 0.065 0.000 1.902 1113 A HA -0.063 4.253 4.320 -0.006 0.000 0.217 1113 A C 2.361 180.077 177.584 0.220 0.000 1.181 1113 A CA 1.954 54.106 52.037 0.193 0.000 0.623 1113 A CB -0.892 18.179 19.000 0.118 0.000 0.818 1113 A HN 0.501 nan 8.150 nan 0.000 0.443 1114 A N -0.170 122.663 122.820 0.022 0.000 1.898 1114 A HA -0.139 4.177 4.320 -0.006 0.000 0.216 1114 A C 1.910 179.490 177.584 -0.007 0.000 1.181 1114 A CA 1.575 53.564 52.037 -0.080 0.000 0.620 1114 A CB -0.496 18.268 19.000 -0.393 0.000 0.819 1114 A HN 0.640 nan 8.150 nan 0.000 0.442 1115 E N -0.208 119.954 120.200 -0.064 0.000 2.047 1115 E HA -0.138 4.208 4.350 -0.006 0.000 0.191 1115 E C 1.883 178.400 176.600 -0.138 0.000 0.987 1115 E CA 1.250 57.465 56.400 -0.310 0.000 0.799 1115 E CB -0.304 29.251 29.700 -0.243 0.000 0.752 1115 E HN 0.687 nan 8.360 nan 0.000 0.449 1116 I N 1.258 121.850 120.570 0.037 0.000 2.179 1116 I HA -0.259 3.907 4.170 -0.006 0.000 0.242 1116 I C 2.573 178.682 176.117 -0.013 0.000 1.088 1116 I CA 0.970 62.329 61.300 0.099 0.000 1.357 1116 I CB -0.313 37.873 38.000 0.309 0.000 1.051 1116 I HN 0.082 nan 8.210 nan 0.000 0.409 1117 A N 0.247 123.059 122.820 -0.015 0.000 1.933 1117 A HA -0.294 4.022 4.320 -0.006 0.000 0.218 1117 A C 1.969 179.545 177.584 -0.012 0.000 1.175 1117 A CA 2.314 54.264 52.037 -0.145 0.000 0.628 1117 A CB -0.693 18.233 19.000 -0.122 0.000 0.814 1117 A HN 0.451 nan 8.150 nan 0.000 0.444 1118 D N -0.793 119.670 120.400 0.105 0.000 2.117 1118 D HA -0.026 4.610 4.640 -0.006 0.000 0.198 1118 D C 2.018 178.436 176.300 0.198 0.000 0.982 1118 D CA 1.629 55.798 54.000 0.281 0.000 0.828 1118 D CB -0.410 40.649 40.800 0.431 0.000 0.967 1118 D HN 0.291 nan 8.370 nan 0.000 0.464 1119 G N 0.071 108.922 108.800 0.086 0.000 2.418 1119 G HA2 -0.226 3.730 3.960 -0.006 0.000 0.217 1119 G HA3 -0.226 3.730 3.960 -0.006 0.000 0.217 1119 G C 1.528 176.318 174.900 -0.184 0.000 1.158 1119 G CA 0.749 45.843 45.100 -0.010 0.000 0.771 1119 G HN 0.173 nan 8.290 nan 0.000 0.545 1120 M N 1.175 120.551 119.600 -0.374 0.000 2.175 1120 M HA 0.075 4.551 4.480 -0.006 0.000 0.264 1120 M C 2.999 178.980 176.300 -0.532 0.000 1.063 1120 M CA 1.156 56.011 55.300 -0.741 0.000 1.119 1120 M CB -1.219 30.322 32.600 -1.766 0.000 1.377 1120 M HN 0.321 nan 8.290 nan 0.000 0.415 1121 A N -0.876 121.815 122.820 -0.216 0.000 1.933 1121 A HA -0.225 4.091 4.320 -0.006 0.000 0.218 1121 A C 2.148 179.681 177.584 -0.086 0.000 1.175 1121 A CA 1.429 53.530 52.037 0.108 0.000 0.628 1121 A CB -1.096 18.160 19.000 0.427 0.000 0.814 1121 A HN 0.500 nan 8.150 nan 0.000 0.444 1122 Y N 0.507 120.533 120.300 -0.457 0.000 2.145 1122 Y HA -0.149 4.399 4.550 -0.003 0.000 0.286 1122 Y C 2.000 177.552 175.900 -0.580 0.000 1.145 1122 Y CA 1.855 59.395 58.100 -0.933 0.000 1.148 1122 Y CB -0.287 37.729 38.460 -0.740 0.000 0.981 1122 Y HN 0.215 nan 8.280 nan 0.000 0.507 1123 L N 0.360 121.340 121.223 -0.405 0.000 2.046 1123 L HA -0.280 4.056 4.340 -0.006 0.000 0.208 1123 L C 2.513 179.260 176.870 -0.204 0.000 1.077 1123 L CA 1.836 56.420 54.840 -0.427 0.000 0.747 1123 L CB -0.806 40.940 42.059 -0.521 0.000 0.896 1123 L HN 0.418 nan 8.230 nan 0.000 0.432 1124 N N 0.417 119.020 118.700 -0.162 0.000 2.120 1124 N HA -0.196 4.540 4.740 -0.006 0.000 0.188 1124 N C 1.863 177.350 175.510 -0.039 0.000 1.024 1124 N CA 1.313 54.349 53.050 -0.024 0.000 0.852 1124 N CB 0.132 38.667 38.487 0.079 0.000 1.003 1124 N HN 0.321 nan 8.380 nan 0.000 0.424 1125 A N 1.189 123.925 122.820 -0.140 0.000 1.969 1125 A HA -0.060 4.256 4.320 -0.006 0.000 0.218 1125 A C 1.915 179.421 177.584 -0.130 0.000 1.169 1125 A CA 1.039 53.007 52.037 -0.114 0.000 0.635 1125 A CB -0.130 18.764 19.000 -0.176 0.000 0.810 1125 A HN 0.167 nan 8.150 nan 0.000 0.445 1126 K N -0.277 120.005 120.400 -0.198 0.000 2.487 1126 K HA 0.058 4.374 4.320 -0.006 0.000 0.192 1126 K C -0.210 176.510 176.600 0.199 0.000 1.027 1126 K CA 0.370 56.676 56.287 0.032 0.000 1.054 1126 K CB -0.078 32.460 32.500 0.062 0.000 0.824 1126 K HN 0.613 nan 8.250 nan 0.000 0.510 1127 K N -0.007 120.429 120.400 0.060 0.000 3.167 1127 K HA -0.163 4.153 4.320 -0.006 0.000 0.272 1127 K C -0.806 175.685 176.600 -0.181 0.000 1.137 1127 K CA 0.447 56.703 56.287 -0.051 0.000 0.800 1127 K CB -1.842 30.592 32.500 -0.110 0.000 1.253 1127 K HN -0.004 nan 8.250 nan 0.000 0.497 1128 F N 0.126 120.071 119.950 -0.009 0.000 2.458 1128 F HA 0.383 4.907 4.527 -0.006 0.000 0.336 1128 F C 0.699 176.498 175.800 -0.002 0.000 1.114 1128 F CA -0.985 57.037 58.000 0.036 0.000 0.987 1128 F CB 1.591 40.644 39.000 0.089 0.000 1.130 1128 F HN -0.281 nan 8.300 nan 0.000 0.458 1129 V N 4.050 124.077 119.914 0.189 0.000 2.427 1129 V HA 0.113 4.229 4.120 -0.006 0.000 0.286 1129 V C 1.027 177.246 176.094 0.209 0.000 1.034 1129 V CA -0.436 61.971 62.300 0.178 0.000 0.893 1129 V CB 1.181 33.109 31.823 0.175 0.000 0.982 1129 V HN 0.829 nan 8.190 nan 0.000 0.452 1130 H N 5.047 124.154 119.070 0.063 0.000 2.276 1130 H HA -0.022 4.530 4.556 -0.007 0.000 0.301 1130 H C 1.644 177.048 175.328 0.127 0.000 1.073 1130 H CA 2.248 58.321 56.048 0.043 0.000 1.311 1130 H CB 0.337 30.063 29.762 -0.060 0.000 1.379 1130 H HN 0.723 nan 8.280 nan 0.000 0.494 1131 R N -1.631 119.097 120.500 0.379 0.000 3.862 1131 R HA -0.212 4.124 4.340 -0.006 0.000 0.470 1131 R C 0.038 176.498 176.300 0.267 0.000 0.879 1131 R CA 1.422 57.659 56.100 0.229 0.000 1.508 1131 R CB -1.612 28.615 30.300 -0.123 0.000 2.170 1131 R HN 0.379 nan 8.270 nan 0.000 0.496 1132 N N -0.005 118.980 118.700 0.475 0.000 2.387 1132 N HA 0.165 4.901 4.740 -0.006 0.000 0.259 1132 N C -1.107 174.449 175.510 0.078 0.000 1.369 1132 N CA -0.357 52.861 53.050 0.280 0.000 0.867 1132 N CB 0.831 39.459 38.487 0.235 0.000 1.341 1132 N HN -0.018 nan 8.380 nan 0.000 0.495 1133 L N 1.838 122.919 121.223 -0.236 0.000 2.513 1133 L HA 0.524 4.860 4.340 -0.006 0.000 0.272 1133 L C -0.110 176.718 176.870 -0.071 0.000 1.187 1133 L CA 0.348 54.943 54.840 -0.410 0.000 0.895 1133 L CB -0.090 41.797 42.059 -0.287 0.000 1.147 1133 L HN 0.220 nan 8.230 nan 0.000 0.483 1134 A N 3.844 126.612 122.820 -0.087 0.000 2.597 1134 A HA 0.672 4.988 4.320 -0.006 0.000 0.292 1134 A C 0.476 178.091 177.584 0.052 0.000 1.057 1134 A CA -0.175 51.806 52.037 -0.094 0.000 0.674 1134 A CB 0.257 18.792 19.000 -0.775 0.000 1.278 1134 A HN 1.071 nan 8.150 nan 0.000 0.416 1135 A N 0.424 123.361 122.820 0.195 0.000 1.948 1135 A HA 0.066 4.382 4.320 -0.006 0.000 0.220 1135 A C 2.320 179.969 177.584 0.109 0.000 1.177 1135 A CA 3.169 55.312 52.037 0.175 0.000 0.636 1135 A CB -0.968 18.173 19.000 0.235 0.000 0.815 1135 A HN 2.118 nan 8.150 nan 0.000 0.449 1136 R N 0.123 120.657 120.500 0.056 0.000 2.200 1136 R HA -0.105 4.231 4.340 -0.006 0.000 0.234 1136 R C 1.469 177.788 176.300 0.033 0.000 1.127 1136 R CA 1.766 57.885 56.100 0.031 0.000 0.989 1136 R CB -1.279 29.001 30.300 -0.034 0.000 0.869 1136 R HN 0.716 nan 8.270 nan 0.000 0.459 1137 N N -0.998 117.721 118.700 0.033 0.000 2.236 1137 N HA 0.096 4.832 4.740 -0.006 0.000 0.196 1137 N C -0.613 174.966 175.510 0.115 0.000 1.114 1137 N CA 0.081 53.182 53.050 0.085 0.000 0.859 1137 N CB 0.057 38.619 38.487 0.126 0.000 0.982 1137 N HN 0.411 nan 8.380 nan 0.000 0.493 1138 C N 1.402 120.760 119.300 0.096 0.000 2.366 1138 C HA 0.572 5.028 4.460 -0.006 0.000 0.345 1138 C C 0.256 175.295 174.990 0.082 0.000 1.209 1138 C CA -0.711 58.365 59.018 0.096 0.000 2.050 1138 C CB 1.009 28.809 27.740 0.100 0.000 2.359 1138 C HN 0.192 nan 8.230 nan 0.000 0.527 1139 M N 2.100 121.737 119.600 0.063 0.000 2.602 1139 M HA 0.541 5.017 4.480 -0.006 0.000 0.312 1139 M C -0.839 175.464 176.300 0.006 0.000 1.181 1139 M CA -0.559 54.766 55.300 0.042 0.000 0.910 1139 M CB 1.634 34.256 32.600 0.036 0.000 1.723 1139 M HN 0.311 nan 8.290 nan 0.000 0.459 1140 V N 1.493 121.395 119.914 -0.019 0.000 2.409 1140 V HA 0.709 4.825 4.120 -0.006 0.000 0.291 1140 V C 0.365 176.412 176.094 -0.078 0.000 1.020 1140 V CA -0.947 61.300 62.300 -0.089 0.000 0.848 1140 V CB 1.141 32.820 31.823 -0.240 0.000 0.990 1140 V HN 1.015 nan 8.190 nan 0.000 0.430 1141 A N 2.697 125.441 122.820 -0.127 0.000 2.259 1141 A HA 0.473 4.789 4.320 -0.006 0.000 0.278 1141 A C 1.233 178.660 177.584 -0.261 0.000 1.107 1141 A CA 0.447 52.379 52.037 -0.176 0.000 0.828 1141 A CB 0.002 18.862 19.000 -0.234 0.000 1.111 1141 A HN 1.231 nan 8.150 nan 0.000 0.498 1142 H N -0.744 118.189 119.070 -0.229 0.000 2.422 1142 H HA -0.124 4.426 4.556 -0.010 0.000 0.298 1142 H C 0.656 175.743 175.328 -0.401 0.000 1.098 1142 H CA 1.760 57.615 56.048 -0.322 0.000 1.315 1142 H CB -0.158 29.472 29.762 -0.220 0.000 1.382 1142 H HN 0.592 nan 8.280 nan 0.000 0.523 1143 D N -0.710 119.180 120.400 -0.849 0.000 2.358 1143 D HA -0.052 4.584 4.640 -0.006 0.000 0.224 1143 D C 0.037 176.204 176.300 -0.222 0.000 1.123 1143 D CA -0.598 53.130 54.000 -0.453 0.000 0.833 1143 D CB -0.946 39.632 40.800 -0.371 0.000 0.946 1143 D HN 0.557 nan 8.370 nan 0.000 0.505 1144 F N -1.187 118.703 119.950 -0.101 0.000 2.794 1144 F HA -0.249 4.272 4.527 -0.009 0.000 0.335 1144 F C 0.413 176.133 175.800 -0.134 0.000 0.653 1144 F CA 0.745 58.653 58.000 -0.154 0.000 1.266 1144 F CB -2.547 36.367 39.000 -0.144 0.000 1.666 1144 F HN -0.104 nan 8.300 nan 0.000 0.314 1145 T N 1.912 116.445 114.554 -0.034 0.000 2.888 1145 T HA 0.419 4.765 4.350 -0.006 0.000 0.301 1145 T C 0.474 175.173 174.700 -0.002 0.000 1.001 1145 T CA -0.205 61.906 62.100 0.019 0.000 1.147 1145 T CB 1.382 70.257 68.868 0.012 0.000 0.931 1145 T HN 0.038 nan 8.240 nan 0.000 0.541 1146 V N 5.063 125.000 119.914 0.039 0.000 2.481 1146 V HA 0.457 4.573 4.120 -0.006 0.000 0.286 1146 V C 0.226 176.353 176.094 0.055 0.000 1.042 1146 V CA -0.492 61.825 62.300 0.029 0.000 0.928 1146 V CB 1.333 33.181 31.823 0.042 0.000 0.986 1146 V HN 0.774 nan 8.190 nan 0.000 0.462 1147 K N 3.971 124.394 120.400 0.039 0.000 2.482 1147 K HA 0.600 4.916 4.320 -0.006 0.000 0.257 1147 K C -1.314 175.318 176.600 0.052 0.000 0.969 1147 K CA -1.034 55.281 56.287 0.047 0.000 0.842 1147 K CB 2.344 34.843 32.500 -0.002 0.000 1.359 1147 K HN 0.316 nan 8.250 nan 0.000 0.441 1148 I N 2.433 123.031 120.570 0.047 0.000 2.556 1148 I HA 0.044 4.210 4.170 -0.006 0.000 0.284 1148 I C 1.163 177.349 176.117 0.116 0.000 1.114 1148 I CA 0.590 61.934 61.300 0.073 0.000 1.418 1148 I CB 0.176 38.178 38.000 0.003 0.000 1.394 1148 I HN 0.879 nan 8.210 nan 0.000 0.552 1149 G N 6.300 115.201 108.800 0.168 0.000 3.286 1149 G HA2 0.119 4.075 3.960 -0.006 0.000 0.173 1149 G HA3 0.119 4.075 3.960 -0.006 0.000 0.173 1149 G C -0.141 174.895 174.900 0.227 0.000 1.704 1149 G CA -0.244 44.951 45.100 0.158 0.000 1.041 1149 G HN 0.537 nan 8.290 nan 0.000 0.561 1150 D N 0.266 120.766 120.400 0.167 0.000 2.339 1150 D HA 0.512 5.148 4.640 -0.006 0.000 0.245 1150 D C -0.448 175.940 176.300 0.146 0.000 1.115 1150 D CA 0.549 54.607 54.000 0.098 0.000 0.917 1150 D CB 1.357 42.183 40.800 0.044 0.000 1.192 1150 D HN 0.284 nan 8.370 nan 0.000 0.428 1151 F N -2.636 117.214 119.950 -0.166 0.000 2.744 1151 F HA 0.523 5.045 4.527 -0.007 0.000 0.311 1151 F C -0.030 175.679 175.800 -0.153 0.000 1.144 1151 F CA -1.276 56.517 58.000 -0.345 0.000 0.938 1151 F CB 0.587 39.046 39.000 -0.901 0.000 1.292 1151 F HN 0.317 nan 8.300 nan 0.000 0.444 1173 V N 1.522 121.583 119.914 0.244 0.000 2.313 1173 V HA -0.311 3.805 4.120 -0.006 0.000 0.253 1173 V C 2.428 178.608 176.094 0.143 0.000 1.070 1173 V CA 2.456 64.845 62.300 0.148 0.000 1.057 1173 V CB -0.599 31.261 31.823 0.061 0.000 0.653 1173 V HN 0.394 nan 8.190 nan 0.000 0.450 1174 R N -1.585 119.053 120.500 0.229 0.000 2.328 1174 R HA -0.102 4.234 4.340 -0.006 0.000 0.207 1174 R C 1.654 177.960 176.300 0.011 0.000 1.056 1174 R CA 1.048 57.172 56.100 0.039 0.000 1.016 1174 R CB -0.115 30.111 30.300 -0.122 0.000 0.872 1174 R HN 0.604 nan 8.270 nan 0.000 0.471 1175 W N -0.467 120.971 121.300 0.230 0.000 2.870 1175 W HA 0.301 4.957 4.660 -0.007 0.000 0.358 1175 W C -0.029 176.699 176.519 0.347 0.000 1.043 1175 W CA -0.538 56.999 57.345 0.320 0.000 1.692 1175 W CB 0.378 29.997 29.460 0.265 0.000 1.100 1175 W HN -0.010 nan 8.180 nan 0.000 0.557 1176 M N 0.684 120.487 119.600 0.340 0.000 2.249 1176 M HA 0.406 4.882 4.480 -0.006 0.000 0.351 1176 M C 0.645 176.668 176.300 -0.461 0.000 1.180 1176 M CA -0.170 55.172 55.300 0.070 0.000 1.127 1176 M CB 1.270 33.893 32.600 0.039 0.000 1.546 1176 M HN -0.251 nan 8.290 nan 0.000 0.461 1177 A N 4.507 126.929 122.820 -0.663 0.000 2.386 1177 A HA 0.337 4.653 4.320 -0.006 0.000 0.248 1177 A C -1.555 175.449 177.584 -0.967 0.000 1.082 1177 A CA -1.269 50.003 52.037 -1.275 0.000 0.789 1177 A CB -0.406 18.227 19.000 -0.611 0.000 1.025 1177 A HN 0.672 nan 8.150 nan 0.000 0.490 1178 P HA -0.246 nan 4.420 nan 0.000 0.216 1178 P C 1.069 178.049 177.300 -0.534 0.000 1.153 1178 P CA 1.791 64.463 63.100 -0.714 0.000 0.858 1178 P CB 0.003 31.223 31.700 -0.800 0.000 0.789 1179 E N 0.312 120.176 120.200 -0.559 0.000 2.150 1179 E HA -0.101 4.245 4.350 -0.006 0.000 0.193 1179 E C 1.787 178.159 176.600 -0.380 0.000 0.985 1179 E CA 1.227 57.390 56.400 -0.396 0.000 0.814 1179 E CB -1.079 28.417 29.700 -0.341 0.000 0.752 1179 E HN 0.183 nan 8.360 nan 0.000 0.466 1180 S N 1.216 116.620 115.700 -0.493 0.000 2.371 1180 S HA 0.041 4.507 4.470 -0.006 0.000 0.224 1180 S C 2.143 176.490 174.600 -0.421 0.000 1.029 1180 S CA 0.750 58.556 58.200 -0.656 0.000 0.978 1180 S CB -0.222 62.437 63.200 -0.903 0.000 0.833 1180 S HN 0.195 nan 8.310 nan 0.000 0.466 1181 L N 1.145 122.169 121.223 -0.331 0.000 2.141 1181 L HA -0.055 4.281 4.340 -0.006 0.000 0.209 1181 L C 2.512 179.290 176.870 -0.154 0.000 1.094 1181 L CA 1.143 55.862 54.840 -0.202 0.000 0.763 1181 L CB -0.283 41.651 42.059 -0.209 0.000 0.908 1181 L HN 0.263 nan 8.230 nan 0.000 0.437 1182 K N -0.320 119.973 120.400 -0.179 0.000 2.078 1182 K HA -0.077 4.240 4.320 -0.006 0.000 0.203 1182 K C 0.717 177.258 176.600 -0.098 0.000 1.043 1182 K CA 1.216 57.432 56.287 -0.119 0.000 0.960 1182 K CB 0.340 32.772 32.500 -0.113 0.000 0.761 1182 K HN 0.183 nan 8.250 nan 0.000 0.448 1183 D N -0.846 119.478 120.400 -0.127 0.000 2.440 1183 D HA 0.132 4.769 4.640 -0.006 0.000 0.216 1183 D C 0.367 176.616 176.300 -0.085 0.000 1.150 1183 D CA 0.492 54.439 54.000 -0.089 0.000 0.832 1183 D CB 1.069 41.820 40.800 -0.082 0.000 0.992 1183 D HN 0.501 nan 8.370 nan 0.000 0.502 1184 G N 1.825 110.548 108.800 -0.128 0.000 2.233 1184 G HA2 -0.285 3.671 3.960 -0.006 0.000 0.270 1184 G HA3 -0.285 3.671 3.960 -0.006 0.000 0.270 1184 G C 0.599 175.434 174.900 -0.107 0.000 1.011 1184 G CA 0.717 45.774 45.100 -0.071 0.000 0.762 1184 G HN 0.419 nan 8.290 nan 0.000 0.511 1185 V N -2.407 117.347 119.914 -0.266 0.000 2.432 1185 V HA 0.810 4.926 4.120 -0.006 0.000 0.271 1185 V C 0.001 175.871 176.094 -0.374 0.000 1.046 1185 V CA -1.358 60.836 62.300 -0.176 0.000 0.945 1185 V CB 0.752 32.497 31.823 -0.130 0.000 0.992 1185 V HN 0.237 nan 8.190 nan 0.000 0.471 1186 F N 3.666 123.626 119.950 0.016 0.000 2.467 1186 F HA 0.813 5.336 4.527 -0.007 0.000 0.336 1186 F C 0.663 176.496 175.800 0.055 0.000 1.123 1186 F CA -0.100 57.926 58.000 0.044 0.000 0.964 1186 F CB 2.324 41.365 39.000 0.067 0.000 1.136 1186 F HN 0.909 nan 8.300 nan 0.000 0.447 1187 T N -2.506 112.175 114.554 0.212 0.000 2.778 1187 T HA 0.205 4.551 4.350 -0.006 0.000 0.293 1187 T C 0.591 175.410 174.700 0.198 0.000 1.144 1187 T CA -0.358 61.841 62.100 0.164 0.000 1.010 1187 T CB 1.428 70.351 68.868 0.092 0.000 1.325 1187 T HN 0.433 nan 8.240 nan 0.000 0.515 1188 T N -0.032 114.631 114.554 0.181 0.000 2.881 1188 T HA -0.086 4.260 4.350 -0.006 0.000 0.270 1188 T C 1.944 176.770 174.700 0.209 0.000 1.068 1188 T CA 2.183 64.433 62.100 0.249 0.000 1.131 1188 T CB -0.750 68.257 68.868 0.233 0.000 0.871 1188 T HN 0.647 nan 8.240 nan 0.000 0.479 1189 S N 0.424 116.198 115.700 0.124 0.000 2.406 1189 S HA -0.072 4.394 4.470 -0.006 0.000 0.228 1189 S C 2.276 176.960 174.600 0.140 0.000 1.020 1189 S CA 1.703 59.950 58.200 0.078 0.000 0.965 1189 S CB -0.431 62.796 63.200 0.044 0.000 0.798 1189 S HN 0.781 nan 8.310 nan 0.000 0.488 1190 S N 0.475 116.269 115.700 0.156 0.000 2.436 1190 S HA -0.000 4.466 4.470 -0.006 0.000 0.228 1190 S C 1.404 176.208 174.600 0.338 0.000 1.014 1190 S CA 0.786 59.096 58.200 0.183 0.000 0.950 1190 S CB -0.495 62.734 63.200 0.049 0.000 0.784 1190 S HN 0.412 nan 8.310 nan 0.000 0.504 1191 D N 1.379 121.993 120.400 0.357 0.000 2.178 1191 D HA 0.001 4.637 4.640 -0.006 0.000 0.202 1191 D C 1.716 178.335 176.300 0.533 0.000 0.974 1191 D CA 0.926 55.200 54.000 0.457 0.000 0.841 1191 D CB -0.351 40.752 40.800 0.503 0.000 0.953 1191 D HN 0.355 nan 8.370 nan 0.000 0.478 1192 M N -0.177 119.602 119.600 0.298 0.000 2.117 1192 M HA -0.111 4.365 4.480 -0.006 0.000 0.262 1192 M C 1.833 178.324 176.300 0.319 0.000 1.065 1192 M CA 1.228 56.567 55.300 0.064 0.000 1.114 1192 M CB -0.617 31.863 32.600 -0.198 0.000 1.361 1192 M HN 0.227 nan 8.290 nan 0.000 0.408 1193 W N 0.375 121.806 121.300 0.220 0.000 2.335 1193 W HA -0.199 4.457 4.660 -0.006 0.000 0.311 1193 W C 1.920 178.702 176.519 0.438 0.000 1.213 1193 W CA 2.085 59.631 57.345 0.334 0.000 1.274 1193 W CB -0.997 28.604 29.460 0.236 0.000 1.148 1193 W HN 0.267 nan 8.180 nan 0.000 0.498 1194 S N 0.762 116.885 115.700 0.704 0.000 2.382 1194 S HA -0.233 4.233 4.470 -0.006 0.000 0.228 1194 S C 1.528 176.447 174.600 0.531 0.000 1.027 1194 S CA 1.583 60.170 58.200 0.645 0.000 0.991 1194 S CB -1.049 62.487 63.200 0.559 0.000 0.823 1194 S HN 0.340 nan 8.310 nan 0.000 0.469 1195 F N 2.730 122.882 119.950 0.337 0.000 2.126 1195 F HA -0.040 4.483 4.527 -0.007 0.000 0.299 1195 F C 2.249 178.141 175.800 0.154 0.000 1.096 1195 F CA 1.248 59.407 58.000 0.265 0.000 1.255 1195 F CB -1.056 38.142 39.000 0.329 0.000 0.997 1195 F HN 0.201 nan 8.300 nan 0.000 0.479 1196 G N 0.016 108.808 108.800 -0.012 0.000 2.440 1196 G HA2 -0.222 3.734 3.960 -0.006 0.000 0.218 1196 G HA3 -0.222 3.734 3.960 -0.006 0.000 0.218 1196 G C 1.756 176.683 174.900 0.045 0.000 1.154 1196 G CA 1.246 46.128 45.100 -0.363 0.000 0.767 1196 G HN 0.352 nan 8.290 nan 0.000 0.552 1197 V N 0.565 120.702 119.914 0.371 0.000 2.407 1197 V HA -0.165 3.951 4.120 -0.006 0.000 0.248 1197 V C 3.013 179.316 176.094 0.349 0.000 1.055 1197 V CA 1.410 63.926 62.300 0.360 0.000 1.049 1197 V CB -0.316 31.576 31.823 0.115 0.000 0.662 1197 V HN 0.255 nan 8.190 nan 0.000 0.455 1198 V N -0.176 119.903 119.914 0.276 0.000 2.407 1198 V HA -0.235 3.882 4.120 -0.006 0.000 0.248 1198 V C 2.284 178.412 176.094 0.057 0.000 1.055 1198 V CA 1.773 64.206 62.300 0.221 0.000 1.049 1198 V CB -0.526 31.393 31.823 0.160 0.000 0.662 1198 V HN 0.455 nan 8.190 nan 0.000 0.455 1199 L N -1.579 119.558 121.223 -0.143 0.000 2.083 1199 L HA -0.203 4.133 4.340 -0.006 0.000 0.209 1199 L C 2.307 179.165 176.870 -0.020 0.000 1.083 1199 L CA 2.062 56.783 54.840 -0.198 0.000 0.752 1199 L CB -0.539 41.283 42.059 -0.396 0.000 0.899 1199 L HN 0.525 nan 8.230 nan 0.000 0.433 1200 W N 1.454 122.715 121.300 -0.064 0.000 2.388 1200 W HA -0.170 4.486 4.660 -0.007 0.000 0.294 1200 W C 2.376 178.897 176.519 0.003 0.000 1.212 1200 W CA 1.459 58.812 57.345 0.014 0.000 1.271 1200 W CB 0.063 29.609 29.460 0.143 0.000 1.126 1200 W HN 0.084 nan 8.180 nan 0.000 0.535 1201 E N 0.135 120.492 120.200 0.263 0.000 2.072 1201 E HA -0.235 4.111 4.350 -0.006 0.000 0.191 1201 E C 2.121 178.688 176.600 -0.055 0.000 0.985 1201 E CA 1.744 58.217 56.400 0.122 0.000 0.801 1201 E CB -0.451 29.442 29.700 0.320 0.000 0.750 1201 E HN 0.367 nan 8.360 nan 0.000 0.452 1202 I N 1.220 121.775 120.570 -0.026 0.000 2.226 1202 I HA -0.237 3.929 4.170 -0.006 0.000 0.245 1202 I C 2.651 178.689 176.117 -0.131 0.000 1.100 1202 I CA 1.576 62.846 61.300 -0.050 0.000 1.374 1202 I CB -0.496 37.483 38.000 -0.035 0.000 1.057 1202 I HN 0.217 nan 8.210 nan 0.000 0.413 1203 T N -2.767 111.667 114.554 -0.201 0.000 3.085 1203 T HA -0.013 4.333 4.350 -0.006 0.000 0.263 1203 T C 1.473 175.967 174.700 -0.343 0.000 1.127 1203 T CA 0.843 62.798 62.100 -0.242 0.000 1.103 1203 T CB -0.256 68.477 68.868 -0.226 0.000 0.921 1203 T HN 0.407 nan 8.240 nan 0.000 0.510 1204 S N 0.756 116.166 115.700 -0.484 0.000 2.578 1204 S HA 0.381 4.847 4.470 -0.006 0.000 0.231 1204 S C 0.720 175.128 174.600 -0.320 0.000 0.994 1204 S CA -0.618 57.261 58.200 -0.534 0.000 0.956 1204 S CB -0.678 61.886 63.200 -1.059 0.000 0.870 1204 S HN 0.471 nan 8.310 nan 0.000 0.494 1205 L N 0.762 121.853 121.223 -0.221 0.000 3.597 1205 L HA -0.285 4.051 4.340 -0.006 0.000 0.440 1205 L C 0.839 177.659 176.870 -0.083 0.000 1.277 1205 L CA 0.115 54.877 54.840 -0.129 0.000 0.852 1205 L CB -2.397 39.589 42.059 -0.122 0.000 1.708 1205 L HN 0.842 nan 8.230 nan 0.000 0.885 1206 A N -1.275 121.510 122.820 -0.059 0.000 2.846 1206 A HA -0.169 4.147 4.320 -0.006 0.000 0.287 1206 A C 0.850 178.479 177.584 0.075 0.000 1.469 1206 A CA 1.464 53.534 52.037 0.055 0.000 0.757 1206 A CB -0.912 18.145 19.000 0.095 0.000 1.033 1206 A HN 0.583 nan 8.150 nan 0.000 0.516 1207 E N -0.286 119.905 120.200 -0.014 0.000 2.391 1207 E HA 0.269 4.615 4.350 -0.006 0.000 0.255 1207 E C 0.653 177.436 176.600 0.305 0.000 1.187 1207 E CA -0.077 56.370 56.400 0.079 0.000 0.941 1207 E CB 0.371 30.060 29.700 -0.020 0.000 1.010 1207 E HN 0.743 nan 8.360 nan 0.000 0.458 1208 Q N 1.716 121.678 119.800 0.269 0.000 2.295 1208 Q HA 0.195 4.531 4.340 -0.006 0.000 0.259 1208 Q C -2.449 173.654 176.000 0.172 0.000 0.976 1208 Q CA -1.455 54.494 55.803 0.243 0.000 0.923 1208 Q CB 0.839 29.678 28.738 0.168 0.000 1.185 1208 Q HN -0.036 nan 8.270 nan 0.000 0.410 1209 P HA -0.046 nan 4.420 nan 0.000 0.264 1209 P C -1.270 175.840 177.300 -0.317 0.000 1.193 1209 P CA 0.342 63.030 63.100 -0.688 0.000 0.763 1209 P CB 0.112 31.257 31.700 -0.924 0.000 0.810 1210 Y N -1.238 118.809 120.300 -0.420 0.000 3.589 1210 Y HA -0.247 4.299 4.550 -0.007 0.000 0.218 1210 Y C 1.236 177.034 175.900 -0.170 0.000 1.234 1210 Y CA 0.728 58.652 58.100 -0.293 0.000 1.576 1210 Y CB -2.815 35.469 38.460 -0.292 0.000 1.487 1210 Y HN 0.499 nan 8.280 nan 0.000 0.616 1211 Q N 0.865 120.664 119.800 -0.002 0.000 2.263 1211 Q HA 0.430 4.766 4.340 -0.006 0.000 0.289 1211 Q C 1.434 177.432 176.000 -0.002 0.000 1.061 1211 Q CA 1.202 57.021 55.803 0.027 0.000 0.927 1211 Q CB 0.550 29.321 28.738 0.054 0.000 1.154 1211 Q HN 1.560 nan 8.270 nan 0.000 0.378 1212 G N 0.511 109.308 108.800 -0.004 0.000 2.278 1212 G HA2 -0.156 3.800 3.960 -0.006 0.000 0.210 1212 G HA3 -0.156 3.800 3.960 -0.006 0.000 0.210 1212 G C 0.214 175.088 174.900 -0.043 0.000 1.000 1212 G CA -0.013 45.072 45.100 -0.025 0.000 0.635 1212 G HN 0.891 nan 8.290 nan 0.000 0.495 1213 L N 2.420 123.614 121.223 -0.048 0.000 2.322 1213 L HA 0.637 4.973 4.340 -0.006 0.000 0.279 1213 L C 1.226 178.071 176.870 -0.043 0.000 1.036 1213 L CA -0.371 54.425 54.840 -0.072 0.000 0.807 1213 L CB 1.784 43.763 42.059 -0.132 0.000 1.226 1213 L HN 0.421 nan 8.230 nan 0.000 0.433 1214 S N 0.796 116.470 115.700 -0.042 0.000 2.624 1214 S HA 0.174 4.640 4.470 -0.006 0.000 0.263 1214 S C 0.813 175.392 174.600 -0.034 0.000 1.287 1214 S CA -0.768 57.418 58.200 -0.023 0.000 0.990 1214 S CB 0.839 64.028 63.200 -0.018 0.000 0.950 1214 S HN 0.596 nan 8.310 nan 0.000 0.561 1215 N N 0.974 119.665 118.700 -0.014 0.000 2.223 1215 N HA -0.138 4.598 4.740 -0.006 0.000 0.185 1215 N C 1.596 177.085 175.510 -0.035 0.000 1.016 1215 N CA 1.453 54.492 53.050 -0.019 0.000 0.863 1215 N CB -0.589 37.907 38.487 0.014 0.000 0.983 1215 N HN 0.865 nan 8.380 nan 0.000 0.429 1216 E N 1.574 121.759 120.200 -0.025 0.000 2.051 1216 E HA -0.152 4.194 4.350 -0.006 0.000 0.192 1216 E C 1.779 178.359 176.600 -0.033 0.000 0.991 1216 E CA 1.388 57.774 56.400 -0.024 0.000 0.799 1216 E CB -0.085 29.606 29.700 -0.015 0.000 0.748 1216 E HN 0.386 nan 8.360 nan 0.000 0.449 1217 Q N -0.412 119.362 119.800 -0.043 0.000 2.119 1217 Q HA -0.076 4.260 4.340 -0.006 0.000 0.201 1217 Q C 2.328 178.294 176.000 -0.058 0.000 0.972 1217 Q CA 1.418 57.194 55.803 -0.045 0.000 0.847 1217 Q CB 0.084 28.782 28.738 -0.067 0.000 0.903 1217 Q HN 0.209 nan 8.270 nan 0.000 0.433 1218 V N 1.201 121.038 119.914 -0.127 0.000 2.343 1218 V HA -0.262 3.854 4.120 -0.006 0.000 0.247 1218 V C 2.197 178.193 176.094 -0.163 0.000 1.051 1218 V CA 1.486 63.638 62.300 -0.246 0.000 1.036 1218 V CB -0.573 31.025 31.823 -0.375 0.000 0.654 1218 V HN 0.311 nan 8.190 nan 0.000 0.451 1219 L N 1.213 122.369 121.223 -0.112 0.000 2.013 1219 L HA -0.211 4.125 4.340 -0.006 0.000 0.212 1219 L C 2.600 179.434 176.870 -0.060 0.000 1.073 1219 L CA 3.111 57.898 54.840 -0.088 0.000 0.753 1219 L CB -0.906 41.119 42.059 -0.057 0.000 0.890 1219 L HN 0.337 nan 8.230 nan 0.000 0.432 1220 K N -1.121 119.267 120.400 -0.020 0.000 2.031 1220 K HA -0.180 4.136 4.320 -0.006 0.000 0.205 1220 K C 2.057 178.681 176.600 0.039 0.000 1.049 1220 K CA 1.551 57.841 56.287 0.006 0.000 0.939 1220 K CB -1.661 30.851 32.500 0.019 0.000 0.717 1220 K HN 0.428 nan 8.250 nan 0.000 0.438 1221 F N 1.488 121.377 119.950 -0.102 0.000 2.065 1221 F HA -0.197 4.326 4.527 -0.007 0.000 0.298 1221 F C 2.208 177.973 175.800 -0.058 0.000 1.112 1221 F CA 1.992 59.940 58.000 -0.087 0.000 1.212 1221 F CB -0.368 38.556 39.000 -0.127 0.000 0.975 1221 F HN -0.032 nan 8.300 nan 0.000 0.476 1222 V N 0.523 120.373 119.914 -0.107 0.000 2.358 1222 V HA -0.338 3.779 4.120 -0.006 0.000 0.246 1222 V C 2.458 178.489 176.094 -0.105 0.000 1.047 1222 V CA 2.199 64.401 62.300 -0.164 0.000 1.035 1222 V CB -0.636 31.070 31.823 -0.196 0.000 0.658 1222 V HN 0.385 nan 8.190 nan 0.000 0.452 1223 M N -0.406 119.147 119.600 -0.079 0.000 2.374 1223 M HA -0.128 4.348 4.480 -0.006 0.000 0.264 1223 M C 1.441 177.796 176.300 0.092 0.000 1.067 1223 M CA 1.213 56.523 55.300 0.017 0.000 1.103 1223 M CB -0.413 32.173 32.600 -0.024 0.000 1.402 1223 M HN 0.300 nan 8.290 nan 0.000 0.444 1224 D N -0.242 120.140 120.400 -0.030 0.000 2.355 1224 D HA 0.073 4.709 4.640 -0.006 0.000 0.218 1224 D C 1.439 177.648 176.300 -0.152 0.000 1.004 1224 D CA 1.009 54.953 54.000 -0.093 0.000 0.880 1224 D CB 0.300 41.039 40.800 -0.103 0.000 0.911 1224 D HN 0.523 nan 8.370 nan 0.000 0.528 1225 G N -0.275 108.493 108.800 -0.053 0.000 2.184 1225 G HA2 -0.141 3.815 3.960 -0.006 0.000 0.206 1225 G HA3 -0.141 3.815 3.960 -0.006 0.000 0.206 1225 G C 0.721 175.603 174.900 -0.030 0.000 0.995 1225 G CA -0.108 45.006 45.100 0.023 0.000 0.651 1225 G HN 0.567 nan 8.290 nan 0.000 0.511 1226 G N -0.215 108.313 108.800 -0.454 0.000 2.539 1226 G HA2 0.749 4.706 3.960 -0.006 0.000 0.258 1226 G HA3 0.749 4.706 3.960 -0.006 0.000 0.258 1226 G C -0.312 174.384 174.900 -0.339 0.000 1.202 1226 G CA 0.144 44.679 45.100 -0.943 0.000 0.851 1226 G HN 1.470 nan 8.290 nan 0.000 0.556 1227 Y N -1.536 118.664 120.300 -0.166 0.000 2.655 1227 Y HA 0.632 5.179 4.550 -0.006 0.000 0.336 1227 Y C -0.485 175.372 175.900 -0.072 0.000 1.154 1227 Y CA -1.802 56.241 58.100 -0.095 0.000 1.055 1227 Y CB 0.743 39.058 38.460 -0.242 0.000 1.295 1227 Y HN 0.470 nan 8.280 nan 0.000 0.465 1228 L N 2.872 123.818 121.223 -0.461 0.000 2.514 1228 L HA 0.103 4.439 4.340 -0.006 0.000 0.280 1228 L C -0.180 176.628 176.870 -0.103 0.000 1.223 1228 L CA 0.312 54.796 54.840 -0.595 0.000 0.864 1228 L CB -0.022 41.264 42.059 -1.287 0.000 1.118 1228 L HN 0.591 nan 8.230 nan 0.000 0.494 1229 D N 1.751 122.126 120.400 -0.043 0.000 2.362 1229 D HA 0.086 4.722 4.640 -0.006 0.000 0.242 1229 D C 0.116 176.599 176.300 0.304 0.000 1.132 1229 D CA -0.270 53.791 54.000 0.101 0.000 0.907 1229 D CB 0.641 41.477 40.800 0.059 0.000 1.195 1229 D HN 0.298 nan 8.370 nan 0.000 0.429 1230 Q N 1.366 121.319 119.800 0.254 0.000 2.332 1230 Q HA 0.262 4.598 4.340 -0.006 0.000 0.263 1230 Q C -2.021 174.061 176.000 0.136 0.000 0.979 1230 Q CA -1.375 54.572 55.803 0.240 0.000 0.885 1230 Q CB 0.121 28.947 28.738 0.146 0.000 1.218 1230 Q HN 0.150 nan 8.270 nan 0.000 0.405 1231 P HA -0.018 nan 4.420 nan 0.000 0.269 1231 P C -0.699 176.563 177.300 -0.064 0.000 1.215 1231 P CA -0.182 62.853 63.100 -0.108 0.000 0.780 1231 P CB 0.501 32.004 31.700 -0.329 0.000 0.898 1232 D N 1.470 121.831 120.400 -0.064 0.000 2.525 1232 D HA -0.041 4.595 4.640 -0.006 0.000 0.235 1232 D C 0.319 176.585 176.300 -0.056 0.000 1.137 1232 D CA 0.768 54.740 54.000 -0.046 0.000 0.868 1232 D CB -0.672 40.101 40.800 -0.045 0.000 1.180 1232 D HN 0.360 nan 8.370 nan 0.000 0.465 1233 N N -0.032 118.644 118.700 -0.040 0.000 2.716 1233 N HA -0.236 4.501 4.740 -0.006 0.000 0.250 1233 N C -0.402 175.076 175.510 -0.054 0.000 1.033 1233 N CA 0.159 53.184 53.050 -0.042 0.000 0.727 1233 N CB -1.188 37.273 38.487 -0.044 0.000 0.950 1233 N HN 0.376 nan 8.380 nan 0.000 0.541 1234 C N 0.821 120.089 119.300 -0.053 0.000 2.593 1234 C HA 0.334 4.790 4.460 -0.006 0.000 0.409 1234 C C -1.600 173.359 174.990 -0.053 0.000 1.304 1234 C CA -1.690 57.289 59.018 -0.065 0.000 2.007 1234 C CB -0.247 27.458 27.740 -0.059 0.000 2.614 1234 C HN 0.298 nan 8.230 nan 0.000 0.585 1235 P HA 0.088 nan 4.420 nan 0.000 0.264 1235 P C 0.626 177.896 177.300 -0.050 0.000 1.193 1235 P CA 0.433 63.501 63.100 -0.053 0.000 0.763 1235 P CB 0.378 32.042 31.700 -0.060 0.000 0.810 1236 E N 3.500 123.676 120.200 -0.040 0.000 2.130 1236 E HA -0.293 4.053 4.350 -0.006 0.000 0.196 1236 E C 1.812 178.383 176.600 -0.049 0.000 0.998 1236 E CA 1.118 57.496 56.400 -0.037 0.000 0.806 1236 E CB 0.030 29.713 29.700 -0.028 0.000 0.738 1236 E HN 0.288 nan 8.360 nan 0.000 0.459 1237 R N -0.110 120.359 120.500 -0.053 0.000 2.120 1237 R HA -0.110 4.227 4.340 -0.006 0.000 0.234 1237 R C 2.156 178.408 176.300 -0.080 0.000 1.123 1237 R CA 1.303 57.366 56.100 -0.061 0.000 0.975 1237 R CB 0.089 30.355 30.300 -0.056 0.000 0.866 1237 R HN 0.114 nan 8.270 nan 0.000 0.446 1238 V N -0.345 119.517 119.914 -0.088 0.000 2.591 1238 V HA -0.122 3.994 4.120 -0.006 0.000 0.249 1238 V C 2.017 178.025 176.094 -0.144 0.000 1.053 1238 V CA 1.871 64.101 62.300 -0.117 0.000 1.068 1238 V CB -0.123 31.632 31.823 -0.114 0.000 0.689 1238 V HN 0.379 nan 8.190 nan 0.000 0.462 1239 T N -0.060 114.431 114.554 -0.105 0.000 2.746 1239 T HA -0.176 4.170 4.350 -0.006 0.000 0.267 1239 T C 1.649 176.268 174.700 -0.135 0.000 1.039 1239 T CA 1.662 63.705 62.100 -0.095 0.000 1.142 1239 T CB -0.334 68.514 68.868 -0.032 0.000 0.866 1239 T HN 0.457 nan 8.240 nan 0.000 0.444 1240 D N 1.103 121.436 120.400 -0.112 0.000 2.144 1240 D HA -0.010 4.626 4.640 -0.006 0.000 0.199 1240 D C 2.140 178.337 176.300 -0.170 0.000 0.984 1240 D CA 0.692 54.623 54.000 -0.116 0.000 0.834 1240 D CB -0.332 40.419 40.800 -0.081 0.000 0.955 1240 D HN 0.327 nan 8.370 nan 0.000 0.465 1241 L N 0.014 121.127 121.223 -0.184 0.000 2.017 1241 L HA -0.145 4.191 4.340 -0.006 0.000 0.208 1241 L C 2.649 179.292 176.870 -0.379 0.000 1.073 1241 L CA 0.886 55.602 54.840 -0.207 0.000 0.745 1241 L CB -0.341 41.623 42.059 -0.158 0.000 0.894 1241 L HN 0.026 nan 8.230 nan 0.000 0.432 1242 M N -0.460 118.820 119.600 -0.532 0.000 2.080 1242 M HA -0.264 4.212 4.480 -0.006 0.000 0.260 1242 M C 2.959 178.591 176.300 -1.113 0.000 1.068 1242 M CA 2.368 57.030 55.300 -1.063 0.000 1.109 1242 M CB -0.613 31.341 32.600 -1.078 0.000 1.342 1242 M HN 0.307 nan 8.290 nan 0.000 0.405 1243 R N 0.425 120.580 120.500 -0.576 0.000 2.105 1243 R HA -0.120 4.216 4.340 -0.006 0.000 0.239 1243 R C 1.659 177.761 176.300 -0.329 0.000 1.135 1243 R CA 2.213 58.086 56.100 -0.378 0.000 0.967 1243 R CB -1.614 28.573 30.300 -0.188 0.000 0.861 1243 R HN 0.490 nan 8.270 nan 0.000 0.442 1244 M N -0.196 119.228 119.600 -0.293 0.000 2.132 1244 M HA -0.112 4.364 4.480 -0.006 0.000 0.263 1244 M C 2.621 178.794 176.300 -0.211 0.000 1.065 1244 M CA 1.596 56.778 55.300 -0.197 0.000 1.122 1244 M CB -0.321 32.187 32.600 -0.154 0.000 1.365 1244 M HN 0.447 nan 8.290 nan 0.000 0.411 1245 C N -0.794 118.288 119.300 -0.363 0.000 2.432 1245 C HA -0.128 4.328 4.460 -0.006 0.000 0.280 1245 C C 1.597 176.459 174.990 -0.213 0.000 1.353 1245 C CA 0.212 59.036 59.018 -0.323 0.000 1.766 1245 C CB -1.074 26.366 27.740 -0.500 0.000 1.924 1245 C HN 0.654 nan 8.230 nan 0.000 0.509 1246 W N 0.800 121.852 121.300 -0.413 0.000 3.305 1246 W HA 0.303 4.960 4.660 -0.005 0.000 0.392 1246 W C 0.471 176.920 176.519 -0.116 0.000 1.121 1246 W CA -0.651 56.330 57.345 -0.606 0.000 1.909 1246 W CB -1.143 27.745 29.460 -0.952 0.000 1.065 1246 W HN 0.362 nan 8.180 nan 0.000 0.714 1247 Q N 0.341 120.237 119.800 0.160 0.000 2.330 1247 Q HA -0.056 4.280 4.340 -0.006 0.000 0.279 1247 Q C 1.132 177.322 176.000 0.316 0.000 1.024 1247 Q CA 0.050 55.957 55.803 0.174 0.000 0.900 1247 Q CB 0.623 29.419 28.738 0.097 0.000 1.221 1247 Q HN 0.233 nan 8.270 nan 0.000 0.396 1248 F N 2.477 122.527 119.950 0.165 0.000 2.134 1248 F HA -0.162 4.362 4.527 -0.006 0.000 0.299 1248 F C 1.095 176.939 175.800 0.073 0.000 1.097 1248 F CA 0.927 59.007 58.000 0.132 0.000 1.264 1248 F CB 0.321 39.361 39.000 0.066 0.000 1.001 1248 F HN 0.488 nan 8.300 nan 0.000 0.479 1249 N N 1.906 120.730 118.700 0.206 0.000 2.405 1249 N HA 0.052 4.788 4.740 -0.006 0.000 0.260 1249 N C -1.750 173.781 175.510 0.035 0.000 1.152 1249 N CA -1.876 51.231 53.050 0.095 0.000 0.948 1249 N CB 0.950 39.509 38.487 0.120 0.000 1.111 1249 N HN 0.052 nan 8.380 nan 0.000 0.485 1250 P HA -0.141 nan 4.420 nan 0.000 0.218 1250 P C 0.429 177.738 177.300 0.015 0.000 1.146 1250 P CA 1.122 64.221 63.100 -0.003 0.000 0.813 1250 P CB 0.447 32.121 31.700 -0.044 0.000 0.778 1251 N N -0.712 117.996 118.700 0.014 0.000 2.453 1251 N HA -0.029 4.707 4.740 -0.006 0.000 0.183 1251 N C 1.458 176.979 175.510 0.018 0.000 1.041 1251 N CA 0.950 54.009 53.050 0.016 0.000 0.900 1251 N CB -0.338 38.159 38.487 0.017 0.000 0.961 1251 N HN 0.201 nan 8.380 nan 0.000 0.443 1252 M N 0.358 119.975 119.600 0.028 0.000 2.495 1252 M HA 0.108 4.584 4.480 -0.006 0.000 0.237 1252 M C 0.328 176.635 176.300 0.011 0.000 1.131 1252 M CA 0.200 55.515 55.300 0.025 0.000 1.032 1252 M CB -0.167 32.458 32.600 0.042 0.000 1.513 1252 M HN -0.048 nan 8.290 nan 0.000 0.488 1253 R N 1.473 121.979 120.500 0.010 0.000 2.531 1253 R HA 0.330 4.666 4.340 -0.006 0.000 0.273 1253 R C -2.038 174.230 176.300 -0.054 0.000 1.070 1253 R CA -1.403 54.687 56.100 -0.017 0.000 1.112 1253 R CB -0.034 30.271 30.300 0.009 0.000 1.049 1253 R HN 0.047 nan 8.270 nan 0.000 0.508 1254 P HA 0.020 nan 4.420 nan 0.000 0.274 1254 P C -0.461 176.736 177.300 -0.172 0.000 1.256 1254 P CA -0.333 62.704 63.100 -0.105 0.000 0.795 1254 P CB 0.635 32.270 31.700 -0.107 0.000 1.038 1255 T N -2.848 111.627 114.554 -0.132 0.000 2.912 1255 T HA 0.312 4.658 4.350 -0.006 0.000 0.280 1255 T C 1.046 175.624 174.700 -0.203 0.000 0.989 1255 T CA -0.369 61.646 62.100 -0.142 0.000 0.995 1255 T CB 0.139 69.010 68.868 0.004 0.000 1.077 1255 T HN 0.094 nan 8.240 nan 0.000 0.531 1256 F N -0.019 119.911 119.950 -0.034 0.000 2.234 1256 F HA 0.120 4.643 4.527 -0.007 0.000 0.299 1256 F C 2.223 178.025 175.800 0.003 0.000 1.087 1256 F CA 0.858 58.800 58.000 -0.097 0.000 1.340 1256 F CB -0.690 38.248 39.000 -0.103 0.000 1.031 1256 F HN 0.416 nan 8.300 nan 0.000 0.500 1257 L N -0.390 120.991 121.223 0.262 0.000 2.093 1257 L HA -0.195 4.141 4.340 -0.006 0.000 0.208 1257 L C 2.190 179.187 176.870 0.212 0.000 1.085 1257 L CA 1.366 56.393 54.840 0.313 0.000 0.755 1257 L CB -0.577 41.658 42.059 0.292 0.000 0.904 1257 L HN 0.175 nan 8.230 nan 0.000 0.435 1258 E N -0.103 120.157 120.200 0.100 0.000 2.204 1258 E HA -0.182 4.164 4.350 -0.006 0.000 0.194 1258 E C 2.201 178.791 176.600 -0.017 0.000 0.989 1258 E CA 0.717 57.143 56.400 0.043 0.000 0.824 1258 E CB 0.141 29.844 29.700 0.005 0.000 0.756 1258 E HN 0.377 nan 8.360 nan 0.000 0.477 1259 I N 0.708 121.252 120.570 -0.043 0.000 2.202 1259 I HA -0.194 3.972 4.170 -0.006 0.000 0.242 1259 I C 2.373 178.435 176.117 -0.091 0.000 1.091 1259 I CA 1.003 62.267 61.300 -0.059 0.000 1.368 1259 I CB -0.860 37.086 38.000 -0.091 0.000 1.058 1259 I HN 0.012 nan 8.210 nan 0.000 0.410 1260 V N 1.367 121.208 119.914 -0.122 0.000 2.343 1260 V HA -0.268 3.849 4.120 -0.006 0.000 0.247 1260 V C 2.287 178.061 176.094 -0.534 0.000 1.051 1260 V CA 2.069 64.180 62.300 -0.315 0.000 1.036 1260 V CB -1.069 30.544 31.823 -0.350 0.000 0.654 1260 V HN 0.418 nan 8.190 nan 0.000 0.451 1261 N N 0.330 118.772 118.700 -0.430 0.000 2.166 1261 N HA -0.136 4.600 4.740 -0.006 0.000 0.186 1261 N C 1.628 177.051 175.510 -0.144 0.000 1.019 1261 N CA 1.439 54.331 53.050 -0.265 0.000 0.856 1261 N CB -0.297 38.229 38.487 0.065 0.000 0.993 1261 N HN 0.464 nan 8.380 nan 0.000 0.426 1262 L N -0.343 120.813 121.223 -0.112 0.000 2.201 1262 L HA -0.056 4.280 4.340 -0.006 0.000 0.212 1262 L C 1.545 178.356 176.870 -0.098 0.000 1.105 1262 L CA 0.733 55.526 54.840 -0.078 0.000 0.775 1262 L CB -0.162 41.861 42.059 -0.060 0.000 0.913 1262 L HN 0.254 nan 8.230 nan 0.000 0.440 1263 L N -0.751 120.384 121.223 -0.146 0.000 2.590 1263 L HA 0.020 4.356 4.340 -0.006 0.000 0.227 1263 L C 2.369 179.119 176.870 -0.200 0.000 1.099 1263 L CA -0.011 54.733 54.840 -0.160 0.000 0.872 1263 L CB -0.301 41.656 42.059 -0.171 0.000 1.088 1263 L HN 0.226 nan 8.230 nan 0.000 0.479 1264 K N 0.040 120.308 120.400 -0.219 0.000 2.127 1264 K HA -0.240 4.076 4.320 -0.006 0.000 0.208 1264 K C 0.773 177.341 176.600 -0.053 0.000 1.047 1264 K CA 2.025 58.222 56.287 -0.150 0.000 0.927 1264 K CB -0.346 32.103 32.500 -0.085 0.000 0.716 1264 K HN 0.219 nan 8.250 nan 0.000 0.450 1265 D N 1.137 121.511 120.400 -0.043 0.000 2.363 1265 D HA -0.028 4.608 4.640 -0.006 0.000 0.220 1265 D C 0.059 176.334 176.300 -0.042 0.000 0.994 1265 D CA 0.684 54.672 54.000 -0.020 0.000 0.890 1265 D CB 0.149 40.944 40.800 -0.008 0.000 0.906 1265 D HN 0.341 nan 8.370 nan 0.000 0.530 1266 D N 0.611 120.965 120.400 -0.076 0.000 2.891 1266 D HA 0.187 4.823 4.640 -0.006 0.000 0.312 1266 D C 0.366 176.610 176.300 -0.094 0.000 1.354 1266 D CA -0.034 53.922 54.000 -0.073 0.000 0.838 1266 D CB 1.191 41.949 40.800 -0.070 0.000 1.117 1266 D HN 0.127 nan 8.370 nan 0.000 0.473 1267 L N -0.406 120.756 121.223 -0.103 0.000 2.286 1267 L HA 0.323 4.659 4.340 -0.006 0.000 0.265 1267 L C 0.682 177.561 176.870 0.014 0.000 1.012 1267 L CA -1.060 53.717 54.840 -0.105 0.000 0.818 1267 L CB 1.976 43.840 42.059 -0.325 0.000 1.337 1267 L HN 0.107 nan 8.230 nan 0.000 0.438 1268 H N 1.501 120.575 119.070 0.006 0.000 2.948 1268 H HA 0.006 4.552 4.556 -0.016 0.000 0.351 1268 H C -1.931 173.450 175.328 0.088 0.000 1.079 1268 H CA -0.709 55.375 56.048 0.060 0.000 1.407 1268 H CB 1.632 31.454 29.762 0.100 0.000 1.373 1268 H HN 0.277 nan 8.280 nan 0.000 0.605 1269 P HA -0.168 nan 4.420 nan 0.000 0.218 1269 P C 1.444 178.804 177.300 0.100 0.000 1.146 1269 P CA 1.997 65.043 63.100 -0.091 0.000 0.813 1269 P CB 0.116 31.690 31.700 -0.210 0.000 0.778 1270 S N -2.286 113.627 115.700 0.355 0.000 2.489 1270 S HA -0.108 4.358 4.470 -0.006 0.000 0.228 1270 S C 1.779 176.489 174.600 0.183 0.000 0.995 1270 S CA 0.075 58.431 58.200 0.259 0.000 0.934 1270 S CB -1.548 61.820 63.200 0.280 0.000 0.771 1270 S HN -0.006 nan 8.310 nan 0.000 0.522 1271 F N 3.902 123.927 119.950 0.125 0.000 2.091 1271 F HA 0.020 4.546 4.527 -0.003 0.000 0.299 1271 F C -1.091 174.727 175.800 0.030 0.000 1.103 1271 F CA 1.209 59.276 58.000 0.112 0.000 1.228 1271 F CB -1.270 37.807 39.000 0.128 0.000 0.984 1271 F HN 0.230 nan 8.300 nan 0.000 0.477 1272 P HA -0.147 nan 4.420 nan 0.000 0.222 1272 P C 0.861 178.061 177.300 -0.166 0.000 1.147 1272 P CA 1.743 64.601 63.100 -0.403 0.000 0.790 1272 P CB -0.127 31.288 31.700 -0.474 0.000 0.780 1273 E N -0.846 119.282 120.200 -0.120 0.000 2.285 1273 E HA -0.044 4.302 4.350 -0.006 0.000 0.194 1273 E C 1.520 178.023 176.600 -0.161 0.000 0.997 1273 E CA 1.082 57.420 56.400 -0.104 0.000 0.845 1273 E CB -0.096 29.560 29.700 -0.074 0.000 0.782 1273 E HN 0.259 nan 8.360 nan 0.000 0.491 1274 V N -1.855 117.909 119.914 -0.250 0.000 3.562 1274 V HA 0.139 4.255 4.120 -0.006 0.000 0.270 1274 V C 0.881 176.776 176.094 -0.331 0.000 1.418 1274 V CA -0.130 61.946 62.300 -0.373 0.000 1.033 1274 V CB 0.416 31.794 31.823 -0.743 0.000 0.820 1274 V HN 0.101 nan 8.190 nan 0.000 0.441 1275 S N 0.274 115.767 115.700 -0.346 0.000 2.579 1275 S HA 0.290 4.756 4.470 -0.006 0.000 0.275 1275 S C 0.691 175.320 174.600 0.050 0.000 1.345 1275 S CA 0.248 58.303 58.200 -0.242 0.000 1.031 1275 S CB 0.830 63.680 63.200 -0.584 0.000 0.892 1275 S HN 0.506 nan 8.310 nan 0.000 0.529 1276 F N 2.494 122.478 119.950 0.057 0.000 2.163 1276 F HA 0.059 4.581 4.527 -0.008 0.000 0.297 1276 F C 1.638 177.522 175.800 0.141 0.000 1.094 1276 F CA 0.604 58.674 58.000 0.117 0.000 1.290 1276 F CB -0.780 38.347 39.000 0.212 0.000 1.017 1276 F HN 0.731 nan 8.300 nan 0.000 0.483 1277 F N 1.131 120.993 119.950 -0.147 0.000 2.087 1277 F HA -0.288 4.232 4.527 -0.012 0.000 0.299 1277 F C 2.077 177.646 175.800 -0.384 0.000 1.100 1277 F CA 2.506 60.323 58.000 -0.304 0.000 1.226 1277 F CB -0.752 38.194 39.000 -0.092 0.000 0.983 1277 F HN 0.118 nan 8.300 nan 0.000 0.479 1278 H N -0.970 118.110 119.070 0.016 0.000 2.539 1278 H HA 0.203 4.760 4.556 0.001 0.000 0.269 1278 H C 1.106 176.363 175.328 -0.118 0.000 0.980 1278 H CA 0.313 56.336 56.048 -0.042 0.000 1.152 1278 H CB -0.251 29.570 29.762 0.099 0.000 1.407 1278 H HN 0.145 nan 8.280 nan 0.000 0.564 1279 S N 0.527 116.182 115.700 -0.074 0.000 2.614 1279 S HA -0.022 4.444 4.470 -0.006 0.000 0.265 1279 S C 1.375 175.917 174.600 -0.096 0.000 1.303 1279 S CA -0.533 57.638 58.200 -0.048 0.000 1.000 1279 S CB 1.285 64.497 63.200 0.021 0.000 0.935 1279 S HN 0.629 nan 8.310 nan 0.000 0.551 1280 E N 0.029 120.210 120.200 -0.031 0.000 2.418 1280 E HA -0.096 4.250 4.350 -0.006 0.000 0.197 1280 E C 1.071 177.660 176.600 -0.018 0.000 1.026 1280 E CA 0.803 57.184 56.400 -0.032 0.000 0.862 1280 E CB -0.322 29.378 29.700 -0.001 0.000 0.799 1280 E HN 0.829 nan 8.360 nan 0.000 0.518 1281 E N 1.003 121.217 120.200 0.024 0.000 2.435 1281 E HA -0.054 4.292 4.350 -0.006 0.000 0.195 1281 E C 0.278 176.906 176.600 0.046 0.000 1.029 1281 E CA 0.065 56.541 56.400 0.127 0.000 0.865 1281 E CB -0.035 29.871 29.700 0.344 0.000 0.833 1281 E HN 0.117 nan 8.360 nan 0.000 0.510 1282 N N 2.009 120.534 118.700 -0.291 0.000 2.719 1282 N HA 0.013 4.749 4.740 -0.006 0.000 0.243 1282 N C -0.896 174.455 175.510 -0.266 0.000 1.104 1282 N CA 0.161 52.899 53.050 -0.520 0.000 0.981 1282 N CB 0.123 38.021 38.487 -0.981 0.000 1.290 1282 N HN -0.163 nan 8.380 nan 0.000 0.513 1283 K N 0.000 120.337 120.400 -0.105 0.000 2.780 1283 K HA 0.000 4.316 4.320 -0.006 0.000 0.191 1283 K CA 0.000 56.245 56.287 -0.070 0.000 0.838 1283 K CB 0.000 32.479 32.500 -0.035 0.000 1.064 1283 K HN 0.000 nan 8.250 nan 0.000 0.543