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 3lw0_1_C DATA FIRST_RESID 983 DATA SEQUENCE AADVYVPDEW EVAREKITMS RELGQGSFGM VYEGVAKGVV KDEPETRVAI DATA SEQUENCE KTVNEAASMR ERIEFLNEAS VMKEFNCHHV VRLLGVVSQG QPTLVIMELM DATA SEQUENCE TRGDLKSYLR SLRPXXXXXX XXXPPSLSKM IQMAGEIADG MAYLNANKFV DATA SEQUENCE HRDLAARNCM VAEDFTVKIG DFGMTRDIYE TDYYRKXXXG LLPVRWMSPE DATA SEQUENCE SLKDGVFTTY SDVWSFGVVL WEIATLAEQP YQGLSNEQVL RFVMEGGLLD DATA SEQUENCE KPDNCPDMLF ELMRMCWQYN PKMRPSFLEI ISSIKEEMEP GFREVSFYYS DATA SEQUENCE EENK 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 983 A HA 0.000 nan 4.320 nan 0.000 0.244 983 A C 0.000 177.598 177.584 0.023 0.000 1.274 983 A CA 0.000 52.044 52.037 0.011 0.000 0.836 983 A CB 0.000 19.002 19.000 0.004 0.000 0.831 984 A N -0.177 122.655 122.820 0.019 0.000 2.119 984 A HA 0.184 4.507 4.320 0.005 0.000 0.216 984 A C 1.216 178.816 177.584 0.028 0.000 1.152 984 A CA 1.957 54.007 52.037 0.023 0.000 0.708 984 A CB -0.221 18.790 19.000 0.018 0.000 0.805 984 A HN 0.407 nan 8.150 nan 0.000 0.460 985 D N -1.561 118.855 120.400 0.028 0.000 2.473 985 D HA 0.242 4.885 4.640 0.005 0.000 0.230 985 D C -0.199 176.126 176.300 0.040 0.000 1.097 985 D CA 0.607 54.625 54.000 0.030 0.000 0.861 985 D CB 1.085 41.897 40.800 0.021 0.000 1.114 985 D HN 0.169 nan 8.370 nan 0.000 0.500 986 V N 0.720 120.662 119.914 0.047 0.000 2.888 986 V HA 0.336 4.460 4.120 0.005 0.000 0.309 986 V C -1.404 174.747 176.094 0.095 0.000 1.114 986 V CA -1.199 61.138 62.300 0.061 0.000 0.940 986 V CB 2.389 34.228 31.823 0.027 0.000 1.021 986 V HN -0.020 nan 8.190 nan 0.000 0.426 987 Y N 3.071 123.369 120.300 -0.004 0.000 2.335 987 Y HA 0.737 5.290 4.550 0.005 0.000 0.338 987 Y C -0.473 175.427 175.900 0.001 0.000 0.977 987 Y CA -0.750 57.345 58.100 -0.008 0.000 1.114 987 Y CB 1.870 40.325 38.460 -0.008 0.000 1.182 987 Y HN 0.480 nan 8.280 nan 0.000 0.463 988 V N 9.112 128.674 119.914 -0.587 0.000 2.350 988 V HA 0.335 4.458 4.120 0.005 0.000 0.276 988 V C -2.057 173.712 176.094 -0.541 0.000 1.028 988 V CA -1.879 60.188 62.300 -0.389 0.000 0.860 988 V CB 0.821 32.498 31.823 -0.243 0.000 0.990 988 V HN 0.704 nan 8.190 nan 0.000 0.453 989 P HA 0.277 nan 4.420 nan 0.000 0.271 989 P C -1.081 176.205 177.300 -0.024 0.000 1.216 989 P CA 0.128 63.223 63.100 -0.008 0.000 0.776 989 P CB 1.332 33.098 31.700 0.110 0.000 0.881 990 D N 0.934 121.365 120.400 0.051 0.000 3.096 990 D HA 0.049 4.692 4.640 0.005 0.000 0.277 990 D C 1.012 177.364 176.300 0.087 0.000 1.256 990 D CA -0.378 53.655 54.000 0.055 0.000 1.044 990 D CB -0.278 40.556 40.800 0.057 0.000 1.318 990 D HN 0.311 nan 8.370 nan 0.000 0.622 991 E N -0.241 119.991 120.200 0.052 0.000 2.409 991 E HA -0.132 4.222 4.350 0.005 0.000 0.198 991 E C 0.935 177.464 176.600 -0.117 0.000 1.024 991 E CA 0.644 57.004 56.400 -0.066 0.000 0.861 991 E CB -0.474 29.126 29.700 -0.167 0.000 0.788 991 E HN 0.554 nan 8.360 nan 0.000 0.521 992 W N 1.625 122.938 121.300 0.021 0.000 3.139 992 W HA 0.169 4.832 4.660 0.005 0.000 0.260 992 W C 0.710 177.258 176.519 0.047 0.000 1.312 992 W CA -0.364 57.001 57.345 0.034 0.000 1.606 992 W CB 0.176 29.666 29.460 0.049 0.000 1.118 992 W HN -0.030 nan 8.180 nan 0.000 0.675 993 E N 0.854 121.195 120.200 0.235 0.000 2.415 993 E HA 0.161 4.514 4.350 0.005 0.000 0.263 993 E C -0.562 176.101 176.600 0.105 0.000 0.995 993 E CA 0.179 56.681 56.400 0.170 0.000 0.915 993 E CB 0.574 30.357 29.700 0.137 0.000 0.951 993 E HN -0.229 nan 8.360 nan 0.000 0.449 994 V N 3.845 123.817 119.914 0.096 0.000 2.513 994 V HA 0.563 4.686 4.120 0.005 0.000 0.299 994 V C 0.064 176.185 176.094 0.045 0.000 1.035 994 V CA -0.839 61.498 62.300 0.061 0.000 0.889 994 V CB 1.561 33.423 31.823 0.064 0.000 0.988 994 V HN 0.896 nan 8.190 nan 0.000 0.440 995 A N 4.016 126.853 122.820 0.028 0.000 2.524 995 A HA 0.186 4.510 4.320 0.005 0.000 0.250 995 A C 1.479 179.072 177.584 0.014 0.000 1.078 995 A CA 0.150 52.198 52.037 0.019 0.000 0.761 995 A CB -0.231 18.775 19.000 0.010 0.000 1.012 995 A HN 0.972 nan 8.150 nan 0.000 0.500 996 R N 1.518 122.024 120.500 0.011 0.000 2.103 996 R HA -0.193 4.150 4.340 0.005 0.000 0.242 996 R C 1.862 178.158 176.300 -0.006 0.000 1.142 996 R CA 2.020 58.121 56.100 0.001 0.000 0.960 996 R CB -0.100 30.198 30.300 -0.004 0.000 0.858 996 R HN 0.943 nan 8.270 nan 0.000 0.439 997 E N 0.571 120.768 120.200 -0.005 0.000 2.333 997 E HA -0.212 4.142 4.350 0.005 0.000 0.198 997 E C 0.871 177.466 176.600 -0.008 0.000 1.007 997 E CA 1.196 57.591 56.400 -0.009 0.000 0.845 997 E CB -0.089 29.607 29.700 -0.007 0.000 0.766 997 E HN 0.398 nan 8.360 nan 0.000 0.507 998 K N 0.298 120.697 120.400 -0.003 0.000 2.444 998 K HA 0.165 4.488 4.320 0.005 0.000 0.193 998 K C 0.128 176.727 176.600 -0.001 0.000 1.024 998 K CA 0.025 56.311 56.287 -0.001 0.000 1.077 998 K CB 0.514 33.016 32.500 0.004 0.000 0.833 998 K HN 0.084 nan 8.250 nan 0.000 0.517 999 I N 1.905 122.472 120.570 -0.006 0.000 2.378 999 I HA 0.127 4.300 4.170 0.005 0.000 0.291 999 I C 0.226 176.327 176.117 -0.027 0.000 0.992 999 I CA -0.528 60.766 61.300 -0.010 0.000 1.154 999 I CB 1.269 39.265 38.000 -0.008 0.000 1.315 999 I HN -0.055 nan 8.210 nan 0.000 0.448 1000 T N 4.489 119.027 114.554 -0.028 0.000 2.841 1000 T HA 0.748 5.101 4.350 0.005 0.000 0.283 1000 T C -0.431 174.237 174.700 -0.053 0.000 1.000 1000 T CA -0.867 61.207 62.100 -0.043 0.000 0.977 1000 T CB 1.835 70.685 68.868 -0.030 0.000 0.979 1000 T HN 0.399 nan 8.240 nan 0.000 0.446 1001 M N 3.164 122.706 119.600 -0.096 0.000 2.268 1001 M HA 0.375 4.859 4.480 0.005 0.000 0.344 1001 M C 0.899 177.156 176.300 -0.072 0.000 1.106 1001 M CA -0.954 54.276 55.300 -0.117 0.000 1.010 1001 M CB 2.161 34.563 32.600 -0.330 0.000 1.649 1001 M HN 0.956 nan 8.290 nan 0.000 0.443 1002 S N 2.750 118.449 115.700 -0.001 0.000 2.545 1002 S HA 0.261 4.734 4.470 0.005 0.000 0.232 1002 S C 0.493 175.129 174.600 0.060 0.000 1.070 1002 S CA -0.306 57.906 58.200 0.020 0.000 0.923 1002 S CB 0.457 63.672 63.200 0.023 0.000 0.806 1002 S HN 0.847 nan 8.310 nan 0.000 0.506 1003 R N 0.029 120.602 120.500 0.123 0.000 2.712 1003 R HA 0.470 4.813 4.340 0.005 0.000 0.272 1003 R C -1.949 174.474 176.300 0.205 0.000 1.032 1003 R CA -0.900 55.290 56.100 0.150 0.000 0.874 1003 R CB 0.634 30.981 30.300 0.078 0.000 1.256 1003 R HN 0.071 nan 8.270 nan 0.000 0.468 1004 E N 1.083 121.346 120.200 0.106 0.000 2.338 1004 E HA 0.126 4.479 4.350 0.005 0.000 0.272 1004 E C 0.165 176.714 176.600 -0.086 0.000 1.029 1004 E CA -0.155 56.182 56.400 -0.105 0.000 0.872 1004 E CB 1.235 30.847 29.700 -0.147 0.000 1.015 1004 E HN 0.431 nan 8.360 nan 0.000 0.417 1005 L N 1.595 122.727 121.223 -0.151 0.000 2.425 1005 L HA 0.290 4.633 4.340 0.005 0.000 0.215 1005 L C 0.957 177.788 176.870 -0.064 0.000 1.065 1005 L CA 0.324 55.123 54.840 -0.069 0.000 0.842 1005 L CB 0.323 42.351 42.059 -0.052 0.000 1.033 1005 L HN 0.740 nan 8.230 nan 0.000 0.474 1006 G N -0.322 108.393 108.800 -0.143 0.000 2.353 1006 G HA2 0.036 4.000 3.960 0.005 0.000 0.308 1006 G HA3 0.036 4.000 3.960 0.005 0.000 0.308 1006 G C -1.693 173.140 174.900 -0.113 0.000 1.418 1006 G CA -0.825 44.215 45.100 -0.098 0.000 0.966 1006 G HN -0.120 nan 8.290 nan 0.000 0.638 1007 Q N 0.301 120.054 119.800 -0.078 0.000 2.271 1007 Q HA 0.540 4.883 4.340 0.005 0.000 0.273 1007 Q C 0.805 176.803 176.000 -0.004 0.000 1.051 1007 Q CA 1.073 56.840 55.803 -0.061 0.000 0.901 1007 Q CB 0.577 29.283 28.738 -0.053 0.000 1.174 1007 Q HN 1.180 nan 8.270 nan 0.000 0.385 1008 G N 1.543 110.355 108.800 0.020 0.000 2.537 1008 G HA2 0.296 4.260 3.960 0.005 0.000 0.297 1008 G HA3 0.296 4.260 3.960 0.005 0.000 0.297 1008 G C 0.521 175.447 174.900 0.042 0.000 1.310 1008 G CA -0.126 45.034 45.100 0.101 0.000 1.027 1008 G HN 0.796 nan 8.290 nan 0.000 0.505 1009 S N -1.358 114.356 115.700 0.024 0.000 2.453 1009 S HA 0.009 4.482 4.470 0.005 0.000 0.231 1009 S C 1.468 175.862 174.600 -0.344 0.000 1.005 1009 S CA 0.878 58.955 58.200 -0.204 0.000 0.949 1009 S CB -0.233 62.765 63.200 -0.336 0.000 0.774 1009 S HN 0.366 nan 8.310 nan 0.000 0.510 1010 F N 1.694 121.678 119.950 0.057 0.000 2.720 1010 F HA 0.553 5.083 4.527 0.005 0.000 0.301 1010 F C 1.444 177.194 175.800 -0.082 0.000 1.103 1010 F CA 0.227 58.230 58.000 0.005 0.000 1.291 1010 F CB 0.781 39.829 39.000 0.079 0.000 1.086 1010 F HN 0.514 nan 8.300 nan 0.000 0.592 1011 G N -0.248 108.606 108.800 0.090 0.000 2.324 1011 G HA2 0.300 4.263 3.960 0.005 0.000 0.293 1011 G HA3 0.300 4.263 3.960 0.005 0.000 0.293 1011 G C -1.603 173.284 174.900 -0.022 0.000 1.297 1011 G CA -1.163 43.939 45.100 0.004 0.000 0.853 1011 G HN -0.139 nan 8.290 nan 0.000 0.535 1012 M N 0.554 120.111 119.600 -0.072 0.000 2.249 1012 M HA 0.527 5.010 4.480 0.005 0.000 0.340 1012 M C -0.075 176.062 176.300 -0.271 0.000 1.166 1012 M CA -0.004 55.165 55.300 -0.218 0.000 1.115 1012 M CB 0.894 33.292 32.600 -0.337 0.000 1.606 1012 M HN 0.478 nan 8.290 nan 0.000 0.448 1013 V N 6.468 126.150 119.914 -0.388 0.000 2.483 1013 V HA 0.466 4.589 4.120 0.005 0.000 0.295 1013 V C -0.968 174.817 176.094 -0.515 0.000 1.035 1013 V CA -0.599 61.458 62.300 -0.404 0.000 0.896 1013 V CB 1.101 32.602 31.823 -0.537 0.000 0.986 1013 V HN 0.777 nan 8.190 nan 0.000 0.447 1014 Y N 1.163 121.362 120.300 -0.169 0.000 2.562 1014 Y HA 0.517 5.070 4.550 0.006 0.000 0.343 1014 Y C 0.305 176.147 175.900 -0.096 0.000 1.025 1014 Y CA -0.822 57.217 58.100 -0.102 0.000 1.082 1014 Y CB 1.627 40.047 38.460 -0.067 0.000 1.264 1014 Y HN 0.614 nan 8.280 nan 0.000 0.478 1015 E N 0.514 120.787 120.200 0.122 0.000 2.277 1015 E HA 0.642 4.995 4.350 0.005 0.000 0.274 1015 E C -0.348 176.298 176.600 0.076 0.000 1.022 1015 E CA -0.255 56.191 56.400 0.077 0.000 0.853 1015 E CB 1.192 30.929 29.700 0.062 0.000 1.086 1015 E HN 0.893 nan 8.360 nan 0.000 0.397 1016 G N 1.021 109.850 108.800 0.048 0.000 2.570 1016 G HA2 0.421 4.384 3.960 0.005 0.000 0.310 1016 G HA3 0.421 4.384 3.960 0.005 0.000 0.310 1016 G C -1.589 173.324 174.900 0.021 0.000 1.266 1016 G CA -0.437 44.678 45.100 0.026 0.000 0.825 1016 G HN 0.461 nan 8.290 nan 0.000 0.483 1017 V N 0.065 119.986 119.914 0.011 0.000 2.760 1017 V HA 0.809 4.932 4.120 0.005 0.000 0.309 1017 V C -0.128 175.972 176.094 0.010 0.000 1.077 1017 V CA -0.208 62.099 62.300 0.012 0.000 0.910 1017 V CB 1.468 33.295 31.823 0.007 0.000 1.008 1017 V HN 1.581 nan 8.190 nan 0.000 0.424 1018 A N 4.165 126.994 122.820 0.016 0.000 2.371 1018 A HA 0.785 5.108 4.320 0.005 0.000 0.311 1018 A C -0.610 176.981 177.584 0.013 0.000 1.068 1018 A CA -0.802 51.245 52.037 0.016 0.000 0.744 1018 A CB 1.278 20.294 19.000 0.028 0.000 1.239 1018 A HN 0.760 nan 8.150 nan 0.000 0.435 1019 K N 0.780 121.185 120.400 0.008 0.000 2.201 1019 K HA 0.507 4.830 4.320 0.005 0.000 0.278 1019 K C 0.824 177.425 176.600 0.002 0.000 1.027 1019 K CA 0.443 56.733 56.287 0.003 0.000 0.909 1019 K CB 1.220 33.720 32.500 -0.000 0.000 1.062 1019 K HN 1.598 nan 8.250 nan 0.000 0.465 1020 G N 1.127 109.925 108.800 -0.002 0.000 2.147 1020 G HA2 -0.253 3.710 3.960 0.005 0.000 0.244 1020 G HA3 -0.253 3.710 3.960 0.005 0.000 0.244 1020 G C 0.480 175.371 174.900 -0.014 0.000 1.005 1020 G CA 0.392 45.486 45.100 -0.011 0.000 0.713 1020 G HN 0.535 nan 8.290 nan 0.000 0.515 1021 V N -3.678 116.235 119.914 -0.003 0.000 3.644 1021 V HA 0.638 4.761 4.120 0.005 0.000 0.267 1021 V C 0.791 176.884 176.094 -0.003 0.000 1.277 1021 V CA 0.561 62.862 62.300 0.002 0.000 1.096 1021 V CB 0.808 32.651 31.823 0.033 0.000 0.828 1021 V HN 0.560 nan 8.190 nan 0.000 0.446 1022 V N 1.185 121.096 119.914 -0.004 0.000 2.588 1022 V HA 0.420 4.544 4.120 0.005 0.000 0.304 1022 V C -0.059 176.027 176.094 -0.013 0.000 1.042 1022 V CA -1.187 61.111 62.300 -0.004 0.000 0.877 1022 V CB 1.797 33.625 31.823 0.007 0.000 0.996 1022 V HN 0.434 nan 8.190 nan 0.000 0.425 1023 K N 3.409 123.798 120.400 -0.019 0.000 2.524 1023 K HA -0.012 4.311 4.320 0.005 0.000 0.279 1023 K C 0.561 177.154 176.600 -0.012 0.000 0.993 1023 K CA 1.004 57.279 56.287 -0.020 0.000 1.030 1023 K CB 0.036 32.523 32.500 -0.021 0.000 0.891 1023 K HN 0.806 nan 8.250 nan 0.000 0.488 1024 D N 1.621 122.014 120.400 -0.012 0.000 2.978 1024 D HA -0.185 4.459 4.640 0.005 0.000 0.205 1024 D C -0.969 175.327 176.300 -0.005 0.000 1.093 1024 D CA 1.353 55.348 54.000 -0.008 0.000 1.006 1024 D CB -0.663 40.133 40.800 -0.006 0.000 1.116 1024 D HN 0.738 nan 8.370 nan 0.000 0.419 1025 E N -0.017 120.181 120.200 -0.005 0.000 2.114 1025 E HA 0.262 4.615 4.350 0.005 0.000 0.266 1025 E C -1.798 174.801 176.600 -0.003 0.000 0.896 1025 E CA -1.753 54.646 56.400 -0.002 0.000 0.750 1025 E CB 1.653 31.354 29.700 0.002 0.000 1.121 1025 E HN -0.094 nan 8.360 nan 0.000 0.413 1026 P HA -0.172 nan 4.420 nan 0.000 0.216 1026 P C -0.475 176.824 177.300 -0.001 0.000 1.153 1026 P CA 1.376 64.475 63.100 -0.003 0.000 0.858 1026 P CB 0.364 32.062 31.700 -0.002 0.000 0.789 1027 E N -2.353 117.848 120.200 0.002 0.000 2.356 1027 E HA 0.474 4.827 4.350 0.005 0.000 0.275 1027 E C -1.002 175.603 176.600 0.008 0.000 0.904 1027 E CA -0.596 55.806 56.400 0.004 0.000 0.757 1027 E CB 2.231 31.934 29.700 0.004 0.000 1.232 1027 E HN -0.281 nan 8.360 nan 0.000 0.442 1028 T N 1.468 116.029 114.554 0.012 0.000 2.886 1028 T HA 0.350 4.703 4.350 0.005 0.000 0.292 1028 T C -0.473 174.239 174.700 0.020 0.000 1.012 1028 T CA -0.833 61.276 62.100 0.016 0.000 0.982 1028 T CB 1.159 70.039 68.868 0.020 0.000 1.018 1028 T HN 0.238 nan 8.240 nan 0.000 0.451 1029 R N 1.670 122.182 120.500 0.020 0.000 2.442 1029 R HA 0.535 4.878 4.340 0.005 0.000 0.291 1029 R C 0.038 176.359 176.300 0.035 0.000 1.069 1029 R CA -0.434 55.681 56.100 0.025 0.000 1.022 1029 R CB 0.397 30.710 30.300 0.022 0.000 0.976 1029 R HN 0.506 nan 8.270 nan 0.000 0.443 1030 V N -1.097 118.842 119.914 0.041 0.000 3.078 1030 V HA 0.844 4.968 4.120 0.005 0.000 0.311 1030 V C -0.520 175.611 176.094 0.060 0.000 1.138 1030 V CA -1.333 61.000 62.300 0.055 0.000 1.007 1030 V CB 2.003 33.858 31.823 0.053 0.000 1.045 1030 V HN 0.804 nan 8.190 nan 0.000 0.432 1031 A N 2.795 125.663 122.820 0.080 0.000 2.310 1031 A HA 0.890 5.213 4.320 0.005 0.000 0.299 1031 A C -0.428 177.157 177.584 0.001 0.000 1.147 1031 A CA -0.583 51.476 52.037 0.036 0.000 0.818 1031 A CB 0.264 19.337 19.000 0.121 0.000 1.096 1031 A HN 0.956 nan 8.150 nan 0.000 0.495 1032 I N 2.723 123.268 120.570 -0.041 0.000 2.448 1032 I HA 0.233 4.406 4.170 0.005 0.000 0.281 1032 I C -0.144 175.969 176.117 -0.006 0.000 1.027 1032 I CA -0.354 60.955 61.300 0.015 0.000 1.111 1032 I CB 1.661 39.700 38.000 0.065 0.000 1.236 1032 I HN 0.590 nan 8.210 nan 0.000 0.452 1033 K N 4.301 124.712 120.400 0.018 0.000 2.174 1033 K HA 0.526 4.849 4.320 0.005 0.000 0.275 1033 K C 0.139 176.865 176.600 0.210 0.000 1.015 1033 K CA -0.406 55.941 56.287 0.099 0.000 0.933 1033 K CB 1.689 34.340 32.500 0.251 0.000 1.025 1033 K HN 0.670 nan 8.250 nan 0.000 0.463 1034 T N -2.274 112.344 114.554 0.107 0.000 2.924 1034 T HA 0.423 4.776 4.350 0.005 0.000 0.291 1034 T C -0.320 174.179 174.700 -0.335 0.000 1.045 1034 T CA -0.884 61.180 62.100 -0.059 0.000 1.015 1034 T CB 1.372 70.266 68.868 0.044 0.000 1.103 1034 T HN 0.140 nan 8.240 nan 0.000 0.496 1035 V N 3.504 123.084 119.914 -0.558 0.000 2.407 1035 V HA 0.349 4.472 4.120 0.005 0.000 0.278 1035 V C 0.989 176.959 176.094 -0.207 0.000 1.037 1035 V CA -1.057 60.945 62.300 -0.497 0.000 0.900 1035 V CB 0.972 32.419 31.823 -0.628 0.000 0.983 1035 V HN 0.989 nan 8.190 nan 0.000 0.459 1036 N N 3.404 122.038 118.700 -0.109 0.000 2.416 1036 N HA -0.019 4.724 4.740 0.005 0.000 0.246 1036 N C 1.411 176.888 175.510 -0.055 0.000 1.260 1036 N CA 0.358 53.374 53.050 -0.056 0.000 0.897 1036 N CB 1.052 39.520 38.487 -0.031 0.000 1.110 1036 N HN 0.903 nan 8.380 nan 0.000 0.439 1037 E N 2.073 122.251 120.200 -0.037 0.000 2.118 1037 E HA -0.194 4.159 4.350 0.005 0.000 0.195 1037 E C 1.283 177.867 176.600 -0.027 0.000 0.992 1037 E CA 1.563 57.944 56.400 -0.033 0.000 0.804 1037 E CB -0.209 29.478 29.700 -0.022 0.000 0.741 1037 E HN 0.577 nan 8.360 nan 0.000 0.458 1038 A N 1.254 124.061 122.820 -0.021 0.000 2.235 1038 A HA 0.375 4.698 4.320 0.005 0.000 0.208 1038 A C 1.326 178.902 177.584 -0.013 0.000 1.172 1038 A CA 0.400 52.428 52.037 -0.015 0.000 0.786 1038 A CB -0.386 18.606 19.000 -0.013 0.000 0.804 1038 A HN 0.409 nan 8.150 nan 0.000 0.479 1039 A N 0.801 123.611 122.820 -0.017 0.000 2.466 1039 A HA 0.466 4.789 4.320 0.005 0.000 0.238 1039 A C 1.013 178.597 177.584 -0.000 0.000 1.074 1039 A CA 0.357 52.392 52.037 -0.002 0.000 0.774 1039 A CB -0.099 18.897 19.000 -0.006 0.000 1.015 1039 A HN 1.034 nan 8.150 nan 0.000 0.498 1040 S N 2.749 118.458 115.700 0.015 0.000 2.645 1040 S HA 0.257 4.730 4.470 0.005 0.000 0.266 1040 S C 1.335 175.944 174.600 0.015 0.000 1.258 1040 S CA 0.086 58.294 58.200 0.014 0.000 0.990 1040 S CB 0.522 63.735 63.200 0.021 0.000 0.967 1040 S HN 0.883 nan 8.310 nan 0.000 0.556 1041 M N 0.856 120.463 119.600 0.013 0.000 2.082 1041 M HA -0.151 4.332 4.480 0.005 0.000 0.258 1041 M C 2.152 178.467 176.300 0.025 0.000 1.069 1041 M CA 1.909 57.217 55.300 0.014 0.000 1.102 1041 M CB -0.975 31.634 32.600 0.015 0.000 1.336 1041 M HN 0.955 nan 8.290 nan 0.000 0.404 1042 R N 0.140 120.660 120.500 0.034 0.000 2.092 1042 R HA -0.144 4.200 4.340 0.005 0.000 0.231 1042 R C 1.865 178.208 176.300 0.072 0.000 1.119 1042 R CA 1.858 57.986 56.100 0.046 0.000 0.970 1042 R CB -0.204 30.123 30.300 0.044 0.000 0.864 1042 R HN 0.578 nan 8.270 nan 0.000 0.440 1043 E N -0.083 120.171 120.200 0.090 0.000 2.072 1043 E HA -0.216 4.137 4.350 0.005 0.000 0.191 1043 E C 2.109 178.771 176.600 0.104 0.000 0.985 1043 E CA 0.926 57.430 56.400 0.173 0.000 0.801 1043 E CB -0.129 29.682 29.700 0.186 0.000 0.750 1043 E HN 0.269 nan 8.360 nan 0.000 0.452 1044 R N 0.834 121.346 120.500 0.019 0.000 2.091 1044 R HA -0.174 4.169 4.340 0.005 0.000 0.238 1044 R C 2.135 178.427 176.300 -0.013 0.000 1.136 1044 R CA 1.270 57.343 56.100 -0.045 0.000 0.959 1044 R CB -0.063 30.208 30.300 -0.049 0.000 0.856 1044 R HN 0.123 nan 8.270 nan 0.000 0.437 1045 I N 1.099 121.676 120.570 0.012 0.000 2.252 1045 I HA -0.203 3.970 4.170 0.005 0.000 0.245 1045 I C 2.370 178.483 176.117 -0.007 0.000 1.102 1045 I CA 1.312 62.623 61.300 0.018 0.000 1.385 1045 I CB -1.327 36.699 38.000 0.043 0.000 1.064 1045 I HN 0.389 nan 8.210 nan 0.000 0.414 1046 E N 0.813 121.023 120.200 0.017 0.000 2.058 1046 E HA -0.293 4.060 4.350 0.005 0.000 0.194 1046 E C 2.345 178.839 176.600 -0.176 0.000 0.997 1046 E CA 1.412 57.825 56.400 0.021 0.000 0.801 1046 E CB -0.266 29.556 29.700 0.205 0.000 0.746 1046 E HN 0.343 nan 8.360 nan 0.000 0.450 1047 F N 1.109 120.660 119.950 -0.665 0.000 2.095 1047 F HA -0.205 4.326 4.527 0.005 0.000 0.298 1047 F C 1.916 177.409 175.800 -0.511 0.000 1.104 1047 F CA 1.505 58.901 58.000 -1.007 0.000 1.232 1047 F CB -0.125 38.239 39.000 -1.059 0.000 0.987 1047 F HN 0.009 nan 8.300 nan 0.000 0.475 1048 L N -0.004 121.057 121.223 -0.270 0.000 2.109 1048 L HA -0.186 4.157 4.340 0.005 0.000 0.207 1048 L C 2.197 178.902 176.870 -0.275 0.000 1.086 1048 L CA 1.437 56.036 54.840 -0.402 0.000 0.760 1048 L CB -0.860 40.910 42.059 -0.482 0.000 0.910 1048 L HN 0.220 nan 8.230 nan 0.000 0.437 1049 N N 0.473 119.090 118.700 -0.139 0.000 2.166 1049 N HA -0.274 4.469 4.740 0.005 0.000 0.186 1049 N C 1.795 177.234 175.510 -0.118 0.000 1.019 1049 N CA 1.496 54.505 53.050 -0.067 0.000 0.856 1049 N CB 0.035 38.509 38.487 -0.022 0.000 0.993 1049 N HN 0.335 nan 8.380 nan 0.000 0.426 1050 E N -0.552 119.539 120.200 -0.181 0.000 2.085 1050 E HA -0.186 4.168 4.350 0.005 0.000 0.194 1050 E C 1.746 178.213 176.600 -0.222 0.000 0.994 1050 E CA 1.223 57.524 56.400 -0.165 0.000 0.801 1050 E CB -0.253 29.332 29.700 -0.190 0.000 0.743 1050 E HN 0.476 nan 8.360 nan 0.000 0.453 1051 A N 0.411 123.022 122.820 -0.349 0.000 1.898 1051 A HA -0.129 4.194 4.320 0.005 0.000 0.216 1051 A C 2.384 179.776 177.584 -0.320 0.000 1.181 1051 A CA 1.615 53.436 52.037 -0.360 0.000 0.620 1051 A CB -0.573 18.160 19.000 -0.444 0.000 0.819 1051 A HN 0.294 nan 8.150 nan 0.000 0.442 1052 S N -0.166 115.403 115.700 -0.218 0.000 2.370 1052 S HA -0.190 4.283 4.470 0.005 0.000 0.226 1052 S C 2.034 176.495 174.600 -0.233 0.000 1.033 1052 S CA 1.778 59.876 58.200 -0.170 0.000 1.011 1052 S CB -0.859 62.326 63.200 -0.025 0.000 0.852 1052 S HN 0.893 nan 8.310 nan 0.000 0.457 1053 V N -0.397 119.411 119.914 -0.177 0.000 2.594 1053 V HA -0.069 4.055 4.120 0.005 0.000 0.253 1053 V C 1.765 177.619 176.094 -0.399 0.000 1.069 1053 V CA 1.304 63.498 62.300 -0.177 0.000 1.082 1053 V CB -0.759 31.084 31.823 0.032 0.000 0.680 1053 V HN 0.359 nan 8.190 nan 0.000 0.469 1054 M N -0.103 119.285 119.600 -0.355 0.000 2.561 1054 M HA 0.159 4.642 4.480 0.005 0.000 0.238 1054 M C 1.847 177.850 176.300 -0.493 0.000 1.131 1054 M CA 0.634 55.706 55.300 -0.380 0.000 1.046 1054 M CB -0.946 31.552 32.600 -0.169 0.000 1.532 1054 M HN 0.440 nan 8.290 nan 0.000 0.497 1055 K N 1.214 121.268 120.400 -0.576 0.000 2.209 1055 K HA -0.184 4.139 4.320 0.005 0.000 0.204 1055 K C 1.661 178.125 176.600 -0.227 0.000 1.048 1055 K CA 1.581 57.504 56.287 -0.607 0.000 0.940 1055 K CB -0.091 32.040 32.500 -0.615 0.000 0.729 1055 K HN 0.584 nan 8.250 nan 0.000 0.451 1056 E N -0.006 119.953 120.200 -0.401 0.000 2.435 1056 E HA -0.040 4.313 4.350 0.005 0.000 0.195 1056 E C -0.261 176.284 176.600 -0.092 0.000 1.029 1056 E CA 0.134 56.373 56.400 -0.268 0.000 0.865 1056 E CB 0.047 29.520 29.700 -0.378 0.000 0.833 1056 E HN -0.022 nan 8.360 nan 0.000 0.510 1057 F N 1.834 121.814 119.950 0.049 0.000 2.404 1057 F HA 0.438 4.970 4.527 0.007 0.000 0.339 1057 F C 0.088 175.938 175.800 0.083 0.000 1.105 1057 F CA -1.723 56.351 58.000 0.124 0.000 1.087 1057 F CB 1.145 40.182 39.000 0.061 0.000 1.143 1057 F HN -0.096 nan 8.300 nan 0.000 0.491 1058 N N 1.991 120.852 118.700 0.269 0.000 2.701 1058 N HA 0.279 5.022 4.740 0.005 0.000 0.258 1058 N C -2.011 173.359 175.510 -0.233 0.000 1.262 1058 N CA -0.113 52.963 53.050 0.043 0.000 0.780 1058 N CB 0.928 39.477 38.487 0.103 0.000 1.380 1058 N HN 0.692 nan 8.380 nan 0.000 0.548 1059 C N 3.248 122.308 119.300 -0.399 0.000 2.609 1059 C HA 0.428 4.891 4.460 0.005 0.000 0.313 1059 C C 1.682 176.498 174.990 -0.289 0.000 1.175 1059 C CA -0.521 58.160 59.018 -0.561 0.000 1.434 1059 C CB 0.441 27.481 27.740 -1.167 0.000 2.005 1059 C HN 0.983 nan 8.230 nan 0.000 0.471 1060 H N 1.564 120.430 119.070 -0.340 0.000 2.422 1060 H HA -0.080 4.479 4.556 0.005 0.000 0.298 1060 H C 1.140 176.240 175.328 -0.379 0.000 1.098 1060 H CA 2.464 58.291 56.048 -0.368 0.000 1.315 1060 H CB 0.020 29.485 29.762 -0.496 0.000 1.382 1060 H HN 0.877 nan 8.280 nan 0.000 0.523 1061 H N -1.461 117.569 119.070 -0.066 0.000 2.505 1061 H HA 0.338 4.898 4.556 0.007 0.000 0.289 1061 H C -0.649 174.609 175.328 -0.117 0.000 1.052 1061 H CA -0.190 55.819 56.048 -0.066 0.000 1.156 1061 H CB 0.745 30.535 29.762 0.047 0.000 1.507 1061 H HN 0.008 nan 8.280 nan 0.000 0.548 1062 V N 1.432 121.284 119.914 -0.103 0.000 2.588 1062 V HA 0.123 4.246 4.120 0.005 0.000 0.304 1062 V C 0.069 176.099 176.094 -0.106 0.000 1.042 1062 V CA -1.135 61.098 62.300 -0.111 0.000 0.877 1062 V CB 2.392 34.111 31.823 -0.174 0.000 0.996 1062 V HN -0.025 nan 8.190 nan 0.000 0.425 1063 V N 5.656 125.524 119.914 -0.077 0.000 2.617 1063 V HA 0.105 4.228 4.120 0.005 0.000 0.304 1063 V C 0.814 176.887 176.094 -0.035 0.000 1.040 1063 V CA 0.020 62.283 62.300 -0.060 0.000 1.149 1063 V CB 0.118 31.906 31.823 -0.058 0.000 0.914 1063 V HN 0.714 nan 8.190 nan 0.000 0.487 1064 R N 3.335 123.826 120.500 -0.014 0.000 2.357 1064 R HA 0.352 4.696 4.340 0.005 0.000 0.296 1064 R C -0.373 175.952 176.300 0.042 0.000 1.052 1064 R CA -0.889 55.224 56.100 0.023 0.000 0.988 1064 R CB 1.159 31.484 30.300 0.041 0.000 1.025 1064 R HN 0.539 nan 8.270 nan 0.000 0.469 1065 L N 3.504 124.741 121.223 0.023 0.000 2.410 1065 L HA 0.069 4.412 4.340 0.005 0.000 0.273 1065 L C 0.632 177.617 176.870 0.192 0.000 1.152 1065 L CA 0.710 55.547 54.840 -0.004 0.000 0.855 1065 L CB 0.436 42.340 42.059 -0.259 0.000 1.129 1065 L HN 0.661 nan 8.230 nan 0.000 0.463 1066 L N 4.221 125.569 121.223 0.209 0.000 2.717 1066 L HA 0.538 4.881 4.340 0.005 0.000 0.239 1066 L C 0.797 177.884 176.870 0.361 0.000 1.086 1066 L CA 0.308 55.321 54.840 0.289 0.000 0.897 1066 L CB 0.287 42.437 42.059 0.153 0.000 1.214 1066 L HN 0.822 nan 8.230 nan 0.000 0.508 1067 G N -0.554 108.430 108.800 0.307 0.000 2.356 1067 G HA2 0.481 4.444 3.960 0.005 0.000 0.294 1067 G HA3 0.481 4.444 3.960 0.005 0.000 0.294 1067 G C -2.061 172.939 174.900 0.166 0.000 1.423 1067 G CA -0.433 44.849 45.100 0.304 0.000 0.806 1067 G HN -0.301 nan 8.290 nan 0.000 0.527 1068 V N -0.587 119.429 119.914 0.169 0.000 2.888 1068 V HA 0.682 4.805 4.120 0.005 0.000 0.309 1068 V C -0.574 175.578 176.094 0.096 0.000 1.114 1068 V CA -0.744 61.608 62.300 0.087 0.000 0.940 1068 V CB 2.074 33.935 31.823 0.064 0.000 1.021 1068 V HN 0.852 nan 8.190 nan 0.000 0.426 1069 V N 2.996 122.946 119.914 0.061 0.000 2.325 1069 V HA 0.351 4.474 4.120 0.005 0.000 0.280 1069 V C 0.668 176.783 176.094 0.034 0.000 1.016 1069 V CA 0.192 62.526 62.300 0.056 0.000 0.818 1069 V CB 1.278 33.126 31.823 0.041 0.000 1.019 1069 V HN 1.041 nan 8.190 nan 0.000 0.434 1070 S N 2.297 118.030 115.700 0.055 0.000 2.559 1070 S HA 0.253 4.726 4.470 0.005 0.000 0.226 1070 S C 0.391 175.029 174.600 0.064 0.000 1.000 1070 S CA -0.424 57.800 58.200 0.040 0.000 0.948 1070 S CB 0.291 63.550 63.200 0.099 0.000 0.870 1070 S HN 0.588 nan 8.310 nan 0.000 0.497 1071 Q N 1.896 121.730 119.800 0.057 0.000 2.314 1071 Q HA 0.603 4.946 4.340 0.005 0.000 0.259 1071 Q C 0.771 176.783 176.000 0.020 0.000 0.951 1071 Q CA 0.452 56.281 55.803 0.043 0.000 0.909 1071 Q CB 1.014 29.779 28.738 0.045 0.000 1.236 1071 Q HN 0.518 nan 8.270 nan 0.000 0.444 1072 G N 2.716 111.523 108.800 0.012 0.000 2.698 1072 G HA2 -0.211 3.752 3.960 0.005 0.000 0.233 1072 G HA3 -0.211 3.752 3.960 0.005 0.000 0.233 1072 G C -0.786 174.106 174.900 -0.012 0.000 1.352 1072 G CA -0.621 44.479 45.100 -0.000 0.000 0.879 1072 G HN 0.512 nan 8.290 nan 0.000 0.567 1073 Q N 0.238 120.026 119.800 -0.020 0.000 2.377 1073 Q HA 0.583 4.926 4.340 0.005 0.000 0.271 1073 Q C -2.049 173.929 176.000 -0.036 0.000 1.077 1073 Q CA -1.405 54.378 55.803 -0.033 0.000 0.820 1073 Q CB 2.326 31.044 28.738 -0.033 0.000 1.347 1073 Q HN 0.674 nan 8.270 nan 0.000 0.444 1074 P HA 0.217 nan 4.420 nan 0.000 0.278 1074 P C -0.639 176.618 177.300 -0.071 0.000 1.258 1074 P CA -0.346 62.715 63.100 -0.065 0.000 0.811 1074 P CB 0.609 32.270 31.700 -0.064 0.000 1.063 1075 T N 1.621 116.103 114.554 -0.119 0.000 2.870 1075 T HA 0.374 4.727 4.350 0.005 0.000 0.300 1075 T C 0.261 174.915 174.700 -0.077 0.000 0.989 1075 T CA -0.006 62.028 62.100 -0.111 0.000 1.139 1075 T CB -0.115 68.637 68.868 -0.193 0.000 0.920 1075 T HN 0.198 nan 8.240 nan 0.000 0.537 1076 L N 2.707 123.968 121.223 0.063 0.000 2.370 1076 L HA 0.760 5.104 4.340 0.005 0.000 0.266 1076 L C -0.734 176.259 176.870 0.206 0.000 1.002 1076 L CA -1.261 53.665 54.840 0.143 0.000 0.818 1076 L CB 2.139 44.238 42.059 0.068 0.000 1.325 1076 L HN 0.307 nan 8.230 nan 0.000 0.418 1077 V N 3.543 123.589 119.914 0.221 0.000 2.588 1077 V HA 0.472 4.595 4.120 0.005 0.000 0.304 1077 V C -0.402 175.723 176.094 0.052 0.000 1.042 1077 V CA -0.490 61.831 62.300 0.036 0.000 0.877 1077 V CB 2.417 34.113 31.823 -0.211 0.000 0.996 1077 V HN 0.400 nan 8.190 nan 0.000 0.425 1078 I N 5.621 126.219 120.570 0.047 0.000 2.354 1078 I HA 0.569 4.742 4.170 0.005 0.000 0.292 1078 I C -0.063 176.101 176.117 0.078 0.000 0.989 1078 I CA -0.321 61.020 61.300 0.068 0.000 1.188 1078 I CB 1.292 39.340 38.000 0.080 0.000 1.342 1078 I HN 0.539 nan 8.210 nan 0.000 0.457 1079 M N 3.548 123.207 119.600 0.098 0.000 2.619 1079 M HA 0.342 4.826 4.480 0.005 0.000 0.297 1079 M C 0.094 176.463 176.300 0.116 0.000 1.229 1079 M CA -0.751 54.621 55.300 0.120 0.000 0.860 1079 M CB 2.700 35.420 32.600 0.199 0.000 1.741 1079 M HN 0.503 nan 8.290 nan 0.000 0.462 1080 E N 1.832 122.086 120.200 0.091 0.000 2.529 1080 E HA 0.047 4.401 4.350 0.005 0.000 0.259 1080 E C -1.466 175.187 176.600 0.087 0.000 0.966 1080 E CA -0.231 56.208 56.400 0.065 0.000 0.937 1080 E CB 0.702 30.418 29.700 0.027 0.000 0.923 1080 E HN 0.463 nan 8.360 nan 0.000 0.468 1081 L N 5.574 126.841 121.223 0.073 0.000 2.290 1081 L HA 0.224 4.567 4.340 0.005 0.000 0.284 1081 L C -0.669 176.230 176.870 0.048 0.000 1.078 1081 L CA 0.028 54.921 54.840 0.088 0.000 0.815 1081 L CB 1.144 43.243 42.059 0.067 0.000 1.162 1081 L HN 0.609 nan 8.230 nan 0.000 0.435 1082 M N 4.943 124.579 119.600 0.059 0.000 2.060 1082 M HA 0.207 4.690 4.480 0.005 0.000 0.342 1082 M C 1.145 177.452 176.300 0.011 0.000 1.031 1082 M CA -0.264 55.039 55.300 0.006 0.000 0.981 1082 M CB 0.707 33.298 32.600 -0.014 0.000 1.376 1082 M HN 0.773 nan 8.290 nan 0.000 0.397 1083 T N -0.669 113.872 114.554 -0.021 0.000 2.962 1083 T HA -0.023 4.330 4.350 0.005 0.000 0.270 1083 T C 1.392 176.083 174.700 -0.016 0.000 1.088 1083 T CA 0.947 63.039 62.100 -0.013 0.000 1.127 1083 T CB 0.017 68.863 68.868 -0.038 0.000 0.883 1083 T HN 0.606 nan 8.240 nan 0.000 0.493 1084 R N 1.098 121.564 120.500 -0.058 0.000 2.317 1084 R HA 0.432 4.775 4.340 0.005 0.000 0.208 1084 R C 1.507 177.836 176.300 0.049 0.000 0.914 1084 R CA 0.230 56.311 56.100 -0.032 0.000 1.060 1084 R CB -0.024 30.168 30.300 -0.181 0.000 1.015 1084 R HN 0.574 nan 8.270 nan 0.000 0.498 1085 G N 2.294 111.122 108.800 0.048 0.000 2.642 1085 G HA2 -0.330 3.633 3.960 0.005 0.000 0.231 1085 G HA3 -0.330 3.633 3.960 0.005 0.000 0.231 1085 G C -0.784 174.163 174.900 0.077 0.000 1.338 1085 G CA -0.173 44.981 45.100 0.090 0.000 0.883 1085 G HN 0.522 nan 8.290 nan 0.000 0.570 1086 D N -0.668 119.800 120.400 0.113 0.000 2.339 1086 D HA 0.424 5.068 4.640 0.005 0.000 0.245 1086 D C 1.542 177.928 176.300 0.144 0.000 1.115 1086 D CA -0.155 53.906 54.000 0.101 0.000 0.917 1086 D CB 1.032 41.912 40.800 0.133 0.000 1.192 1086 D HN 0.749 nan 8.370 nan 0.000 0.428 1087 L N 1.851 123.136 121.223 0.103 0.000 2.141 1087 L HA -0.045 4.299 4.340 0.005 0.000 0.209 1087 L C 2.074 179.034 176.870 0.150 0.000 1.094 1087 L CA 1.680 56.603 54.840 0.137 0.000 0.763 1087 L CB -0.807 41.303 42.059 0.085 0.000 0.908 1087 L HN 0.693 nan 8.230 nan 0.000 0.437 1088 K N -1.044 119.399 120.400 0.071 0.000 2.026 1088 K HA -0.147 4.176 4.320 0.005 0.000 0.208 1088 K C 2.068 178.723 176.600 0.092 0.000 1.048 1088 K CA 1.717 57.999 56.287 -0.009 0.000 0.929 1088 K CB -0.143 32.169 32.500 -0.313 0.000 0.713 1088 K HN 0.358 nan 8.250 nan 0.000 0.439 1089 S N -0.113 115.718 115.700 0.218 0.000 2.368 1089 S HA -0.169 4.304 4.470 0.005 0.000 0.225 1089 S C 1.619 176.329 174.600 0.183 0.000 1.030 1089 S CA 1.286 59.645 58.200 0.266 0.000 0.999 1089 S CB -0.486 62.888 63.200 0.290 0.000 0.844 1089 S HN 0.427 nan 8.310 nan 0.000 0.459 1090 Y N 2.270 122.634 120.300 0.106 0.000 2.114 1090 Y HA -0.099 4.454 4.550 0.004 0.000 0.284 1090 Y C 1.925 177.870 175.900 0.076 0.000 1.143 1090 Y CA 1.309 59.466 58.100 0.095 0.000 1.135 1090 Y CB -0.511 38.011 38.460 0.104 0.000 0.980 1090 Y HN 0.127 nan 8.280 nan 0.000 0.499 1091 L N -0.145 121.132 121.223 0.089 0.000 2.012 1091 L HA -0.278 4.065 4.340 0.005 0.000 0.210 1091 L C 2.611 179.435 176.870 -0.077 0.000 1.073 1091 L CA 1.761 56.597 54.840 -0.007 0.000 0.748 1091 L CB -0.550 41.544 42.059 0.059 0.000 0.891 1091 L HN 0.156 nan 8.230 nan 0.000 0.431 1092 R N -0.254 120.234 120.500 -0.020 0.000 2.120 1092 R HA -0.137 4.206 4.340 0.005 0.000 0.234 1092 R C 2.568 178.839 176.300 -0.050 0.000 1.123 1092 R CA 1.513 57.607 56.100 -0.010 0.000 0.975 1092 R CB -0.411 29.926 30.300 0.061 0.000 0.866 1092 R HN 0.485 nan 8.270 nan 0.000 0.446 1093 S N 0.834 116.475 115.700 -0.097 0.000 2.442 1093 S HA -0.060 4.413 4.470 0.005 0.000 0.236 1093 S C 1.836 176.337 174.600 -0.164 0.000 1.007 1093 S CA 0.820 58.947 58.200 -0.123 0.000 0.965 1093 S CB -0.230 62.883 63.200 -0.145 0.000 0.773 1093 S HN 0.271 nan 8.310 nan 0.000 0.504 1094 L N 0.284 121.375 121.223 -0.221 0.000 2.554 1094 L HA 0.215 4.558 4.340 0.005 0.000 0.226 1094 L C 1.156 177.963 176.870 -0.104 0.000 1.137 1094 L CA 0.033 54.765 54.840 -0.180 0.000 0.863 1094 L CB -0.303 41.631 42.059 -0.207 0.000 0.985 1094 L HN 0.135 nan 8.230 nan 0.000 0.451 1095 R N 1.367 121.817 120.500 -0.083 0.000 2.490 1095 R HA 0.230 4.573 4.340 0.005 0.000 0.280 1095 R C -1.649 174.624 176.300 -0.046 0.000 1.077 1095 R CA -1.497 54.568 56.100 -0.058 0.000 1.065 1095 R CB -0.061 30.212 30.300 -0.044 0.000 1.003 1095 R HN -0.032 nan 8.270 nan 0.000 0.470 1107 P HA 0.286 nan 4.420 nan 0.000 0.261 1107 P C 0.346 177.616 177.300 -0.050 0.000 1.183 1107 P CA 0.028 63.101 63.100 -0.045 0.000 0.761 1107 P CB 0.283 31.967 31.700 -0.026 0.000 0.785 1108 S N 2.463 118.133 115.700 -0.051 0.000 2.580 1108 S HA -0.018 4.455 4.470 0.005 0.000 0.266 1108 S C 1.165 175.737 174.600 -0.047 0.000 1.354 1108 S CA -0.651 57.520 58.200 -0.048 0.000 1.008 1108 S CB 0.328 63.500 63.200 -0.046 0.000 0.898 1108 S HN 0.385 nan 8.310 nan 0.000 0.555 1109 L N 1.768 122.964 121.223 -0.044 0.000 2.012 1109 L HA -0.072 4.271 4.340 0.005 0.000 0.210 1109 L C 2.715 179.559 176.870 -0.043 0.000 1.073 1109 L CA 2.486 57.300 54.840 -0.043 0.000 0.748 1109 L CB -1.492 40.543 42.059 -0.039 0.000 0.891 1109 L HN 0.969 nan 8.230 nan 0.000 0.431 1110 S N -0.871 114.804 115.700 -0.041 0.000 2.365 1110 S HA -0.267 4.206 4.470 0.005 0.000 0.225 1110 S C 2.077 176.651 174.600 -0.044 0.000 1.039 1110 S CA 1.826 60.001 58.200 -0.042 0.000 1.033 1110 S CB -0.228 62.950 63.200 -0.036 0.000 0.887 1110 S HN 0.564 nan 8.310 nan 0.000 0.447 1111 K N 0.232 120.605 120.400 -0.046 0.000 2.026 1111 K HA -0.051 4.272 4.320 0.005 0.000 0.208 1111 K C 2.309 178.888 176.600 -0.036 0.000 1.048 1111 K CA 1.777 58.036 56.287 -0.046 0.000 0.929 1111 K CB -0.278 32.186 32.500 -0.060 0.000 0.713 1111 K HN 0.449 nan 8.250 nan 0.000 0.439 1112 M N 0.395 119.972 119.600 -0.038 0.000 2.159 1112 M HA -0.155 4.328 4.480 0.005 0.000 0.263 1112 M C 2.190 178.466 176.300 -0.040 0.000 1.063 1112 M CA 1.525 56.803 55.300 -0.037 0.000 1.110 1112 M CB -0.390 32.182 32.600 -0.047 0.000 1.374 1112 M HN 0.126 nan 8.290 nan 0.000 0.411 1113 I N 0.064 120.605 120.570 -0.048 0.000 2.226 1113 I HA -0.298 3.875 4.170 0.005 0.000 0.245 1113 I C 2.637 178.705 176.117 -0.081 0.000 1.100 1113 I CA 1.058 62.321 61.300 -0.061 0.000 1.374 1113 I CB -0.463 37.495 38.000 -0.070 0.000 1.057 1113 I HN 0.338 nan 8.210 nan 0.000 0.413 1114 Q N 0.216 119.973 119.800 -0.072 0.000 2.061 1114 Q HA -0.203 4.140 4.340 0.005 0.000 0.204 1114 Q C 2.230 178.201 176.000 -0.048 0.000 0.984 1114 Q CA 1.804 57.562 55.803 -0.075 0.000 0.846 1114 Q CB -0.512 28.211 28.738 -0.025 0.000 0.902 1114 Q HN 0.556 nan 8.270 nan 0.000 0.421 1115 M N -0.107 119.484 119.600 -0.015 0.000 2.117 1115 M HA -0.137 4.347 4.480 0.005 0.000 0.262 1115 M C 2.271 178.590 176.300 0.031 0.000 1.065 1115 M CA 1.549 56.856 55.300 0.012 0.000 1.114 1115 M CB -0.489 32.122 32.600 0.019 0.000 1.361 1115 M HN 0.203 nan 8.290 nan 0.000 0.408 1116 A N 0.711 123.550 122.820 0.032 0.000 1.883 1116 A HA -0.113 4.210 4.320 0.005 0.000 0.217 1116 A C 2.358 180.053 177.584 0.186 0.000 1.186 1116 A CA 2.139 54.262 52.037 0.143 0.000 0.624 1116 A CB -1.604 17.454 19.000 0.097 0.000 0.822 1116 A HN 0.560 nan 8.150 nan 0.000 0.444 1117 G N -0.767 108.020 108.800 -0.022 0.000 2.408 1117 G HA2 -0.170 3.793 3.960 0.005 0.000 0.217 1117 G HA3 -0.170 3.793 3.960 0.005 0.000 0.217 1117 G C 1.426 176.262 174.900 -0.107 0.000 1.150 1117 G CA 0.960 45.961 45.100 -0.167 0.000 0.776 1117 G HN 0.662 nan 8.290 nan 0.000 0.542 1118 E N 0.074 120.189 120.200 -0.141 0.000 2.051 1118 E HA -0.086 4.268 4.350 0.005 0.000 0.192 1118 E C 2.494 178.989 176.600 -0.175 0.000 0.991 1118 E CA 0.761 56.958 56.400 -0.338 0.000 0.799 1118 E CB -0.162 29.436 29.700 -0.169 0.000 0.748 1118 E HN 0.481 nan 8.360 nan 0.000 0.449 1119 I N 1.121 121.697 120.570 0.010 0.000 2.179 1119 I HA -0.267 3.906 4.170 0.005 0.000 0.242 1119 I C 2.554 178.664 176.117 -0.012 0.000 1.088 1119 I CA 1.019 62.368 61.300 0.083 0.000 1.357 1119 I CB -0.313 37.837 38.000 0.250 0.000 1.051 1119 I HN 0.084 nan 8.210 nan 0.000 0.409 1120 A N 0.170 122.990 122.820 -0.001 0.000 1.933 1120 A HA -0.289 4.034 4.320 0.005 0.000 0.218 1120 A C 1.969 179.477 177.584 -0.127 0.000 1.175 1120 A CA 2.309 54.211 52.037 -0.225 0.000 0.628 1120 A CB -0.689 18.209 19.000 -0.171 0.000 0.814 1120 A HN 0.458 nan 8.150 nan 0.000 0.444 1121 D N -0.878 119.548 120.400 0.042 0.000 2.117 1121 D HA -0.008 4.635 4.640 0.005 0.000 0.198 1121 D C 2.015 178.397 176.300 0.136 0.000 0.982 1121 D CA 1.521 55.647 54.000 0.211 0.000 0.828 1121 D CB -0.371 40.643 40.800 0.355 0.000 0.967 1121 D HN 0.291 nan 8.370 nan 0.000 0.464 1122 G N 0.117 108.947 108.800 0.050 0.000 2.418 1122 G HA2 -0.226 3.737 3.960 0.005 0.000 0.217 1122 G HA3 -0.226 3.737 3.960 0.005 0.000 0.217 1122 G C 1.519 176.337 174.900 -0.137 0.000 1.158 1122 G CA 0.694 45.795 45.100 0.001 0.000 0.771 1122 G HN 0.173 nan 8.290 nan 0.000 0.545 1123 M N 1.130 120.529 119.600 -0.333 0.000 2.175 1123 M HA 0.087 4.570 4.480 0.005 0.000 0.264 1123 M C 3.006 179.018 176.300 -0.480 0.000 1.063 1123 M CA 1.176 56.103 55.300 -0.622 0.000 1.119 1123 M CB -1.210 30.486 32.600 -1.506 0.000 1.377 1123 M HN 0.318 nan 8.290 nan 0.000 0.415 1124 A N -0.707 121.943 122.820 -0.284 0.000 1.902 1124 A HA -0.226 4.097 4.320 0.005 0.000 0.217 1124 A C 2.155 179.605 177.584 -0.224 0.000 1.181 1124 A CA 1.492 53.551 52.037 0.038 0.000 0.623 1124 A CB -1.161 18.051 19.000 0.354 0.000 0.818 1124 A HN 0.511 nan 8.150 nan 0.000 0.443 1125 Y N 0.520 120.456 120.300 -0.606 0.000 2.097 1125 Y HA -0.205 4.347 4.550 0.004 0.000 0.282 1125 Y C 1.998 177.501 175.900 -0.662 0.000 1.152 1125 Y CA 2.026 59.467 58.100 -1.098 0.000 1.136 1125 Y CB -0.373 37.643 38.460 -0.741 0.000 0.975 1125 Y HN 0.219 nan 8.280 nan 0.000 0.498 1126 L N 0.303 121.266 121.223 -0.433 0.000 1.989 1126 L HA -0.292 4.051 4.340 0.005 0.000 0.211 1126 L C 2.196 178.930 176.870 -0.228 0.000 1.071 1126 L CA 2.094 56.660 54.840 -0.458 0.000 0.749 1126 L CB -0.784 41.135 42.059 -0.233 0.000 0.890 1126 L HN 0.350 nan 8.230 nan 0.000 0.431 1127 N N -0.333 118.300 118.700 -0.111 0.000 2.223 1127 N HA -0.168 4.575 4.740 0.005 0.000 0.185 1127 N C 1.828 177.306 175.510 -0.053 0.000 1.016 1127 N CA 0.936 53.986 53.050 -0.000 0.000 0.863 1127 N CB -0.122 38.433 38.487 0.113 0.000 0.983 1127 N HN 0.331 nan 8.380 nan 0.000 0.429 1128 A N 0.982 123.708 122.820 -0.156 0.000 2.015 1128 A HA -0.033 4.290 4.320 0.005 0.000 0.219 1128 A C 1.444 178.944 177.584 -0.139 0.000 1.163 1128 A CA 0.969 52.942 52.037 -0.108 0.000 0.646 1128 A CB -0.029 18.918 19.000 -0.089 0.000 0.806 1128 A HN 0.265 nan 8.150 nan 0.000 0.448 1129 N N 0.361 118.909 118.700 -0.253 0.000 2.295 1129 N HA 0.035 4.779 4.740 0.005 0.000 0.221 1129 N C -0.569 174.964 175.510 0.039 0.000 1.129 1129 N CA 0.047 53.017 53.050 -0.134 0.000 0.836 1129 N CB 0.360 38.693 38.487 -0.257 0.000 1.040 1129 N HN 0.189 nan 8.380 nan 0.000 0.494 1130 K N -0.160 120.256 120.400 0.028 0.000 3.129 1130 K HA -0.226 4.097 4.320 0.005 0.000 0.273 1130 K C -0.461 176.215 176.600 0.126 0.000 1.123 1130 K CA 0.575 56.900 56.287 0.062 0.000 0.800 1130 K CB -2.462 30.070 32.500 0.054 0.000 1.238 1130 K HN 0.296 nan 8.250 nan 0.000 0.492 1131 F N 0.746 120.680 119.950 -0.027 0.000 2.361 1131 F HA 0.352 4.882 4.527 0.004 0.000 0.364 1131 F C 0.190 175.982 175.800 -0.013 0.000 1.117 1131 F CA -0.961 57.036 58.000 -0.005 0.000 1.071 1131 F CB 1.078 40.058 39.000 -0.034 0.000 1.188 1131 F HN -0.147 nan 8.300 nan 0.000 0.464 1132 V N 6.886 126.638 119.914 -0.270 0.000 2.432 1132 V HA 0.058 4.182 4.120 0.005 0.000 0.275 1132 V C 1.198 177.102 176.094 -0.317 0.000 1.043 1132 V CA -0.322 61.891 62.300 -0.144 0.000 0.925 1132 V CB 0.991 32.768 31.823 -0.077 0.000 0.985 1132 V HN 0.827 nan 8.190 nan 0.000 0.466 1133 H N 5.345 124.369 119.070 -0.076 0.000 2.326 1133 H HA -0.033 4.527 4.556 0.006 0.000 0.301 1133 H C 1.611 176.877 175.328 -0.104 0.000 1.081 1133 H CA 2.151 58.201 56.048 0.004 0.000 1.334 1133 H CB 0.370 30.235 29.762 0.172 0.000 1.385 1133 H HN 0.747 nan 8.280 nan 0.000 0.504 1134 R N -1.045 119.541 120.500 0.144 0.000 3.749 1134 R HA -0.181 4.162 4.340 0.005 0.000 0.476 1134 R C -0.274 176.050 176.300 0.040 0.000 0.814 1134 R CA 1.364 57.384 56.100 -0.133 0.000 1.494 1134 R CB -1.490 28.428 30.300 -0.636 0.000 2.164 1134 R HN 0.336 nan 8.270 nan 0.000 0.473 1135 D N 0.274 120.899 120.400 0.375 0.000 2.940 1135 D HA 0.162 4.805 4.640 0.005 0.000 0.366 1135 D C -1.005 175.348 176.300 0.088 0.000 1.446 1135 D CA -0.442 53.717 54.000 0.266 0.000 0.780 1135 D CB 0.364 41.313 40.800 0.249 0.000 1.206 1135 D HN 0.047 nan 8.370 nan 0.000 0.454 1136 L N 1.610 122.798 121.223 -0.058 0.000 2.455 1136 L HA 0.605 4.948 4.340 0.005 0.000 0.272 1136 L C -0.413 176.436 176.870 -0.036 0.000 1.174 1136 L CA 0.417 55.132 54.840 -0.208 0.000 0.869 1136 L CB 0.417 42.461 42.059 -0.026 0.000 1.130 1136 L HN 0.237 nan 8.230 nan 0.000 0.474 1137 A N 3.778 126.530 122.820 -0.113 0.000 2.583 1137 A HA 0.639 4.963 4.320 0.005 0.000 0.292 1137 A C 0.398 177.936 177.584 -0.076 0.000 1.045 1137 A CA -0.170 51.751 52.037 -0.194 0.000 0.672 1137 A CB 0.049 18.519 19.000 -0.883 0.000 1.283 1137 A HN 1.113 nan 8.150 nan 0.000 0.419 1138 A N 0.854 123.694 122.820 0.033 0.000 1.940 1138 A HA -0.159 4.165 4.320 0.005 0.000 0.219 1138 A C 1.935 179.496 177.584 -0.038 0.000 1.176 1138 A CA 2.111 54.165 52.037 0.029 0.000 0.631 1138 A CB -0.644 18.405 19.000 0.082 0.000 0.814 1138 A HN 1.199 nan 8.150 nan 0.000 0.446 1139 R N -0.899 119.521 120.500 -0.134 0.000 2.193 1139 R HA -0.037 4.306 4.340 0.005 0.000 0.229 1139 R C 0.199 176.490 176.300 -0.015 0.000 1.110 1139 R CA 1.538 57.584 56.100 -0.090 0.000 0.988 1139 R CB -0.416 29.793 30.300 -0.150 0.000 0.871 1139 R HN 0.343 nan 8.270 nan 0.000 0.458 1140 N N 0.051 118.723 118.700 -0.047 0.000 2.238 1140 N HA 0.139 4.882 4.740 0.005 0.000 0.222 1140 N C -0.962 174.538 175.510 -0.017 0.000 1.133 1140 N CA -0.141 52.903 53.050 -0.010 0.000 0.854 1140 N CB 0.656 39.162 38.487 0.031 0.000 1.041 1140 N HN 0.148 nan 8.380 nan 0.000 0.510 1141 C N 0.753 120.041 119.300 -0.019 0.000 2.493 1141 C HA 0.624 5.088 4.460 0.005 0.000 0.326 1141 C C 0.316 175.295 174.990 -0.018 0.000 1.200 1141 C CA -0.790 58.221 59.018 -0.011 0.000 1.739 1141 C CB 1.172 28.920 27.740 0.012 0.000 2.300 1141 C HN 0.198 nan 8.230 nan 0.000 0.500 1142 M N 1.580 121.161 119.600 -0.032 0.000 2.662 1142 M HA 0.631 5.114 4.480 0.005 0.000 0.310 1142 M C -1.186 175.091 176.300 -0.039 0.000 1.204 1142 M CA -0.673 54.602 55.300 -0.042 0.000 0.891 1142 M CB 1.923 34.471 32.600 -0.086 0.000 1.732 1142 M HN 0.286 nan 8.290 nan 0.000 0.467 1143 V N 1.267 121.148 119.914 -0.056 0.000 2.448 1143 V HA 0.691 4.815 4.120 0.005 0.000 0.295 1143 V C 0.086 176.099 176.094 -0.134 0.000 1.025 1143 V CA -0.793 61.443 62.300 -0.108 0.000 0.859 1143 V CB 1.294 32.990 31.823 -0.211 0.000 0.988 1143 V HN 0.997 nan 8.190 nan 0.000 0.431 1144 A N 2.746 125.484 122.820 -0.137 0.000 2.246 1144 A HA 0.544 4.867 4.320 0.005 0.000 0.291 1144 A C 1.230 178.655 177.584 -0.266 0.000 1.103 1144 A CA -0.056 51.893 52.037 -0.147 0.000 0.844 1144 A CB 0.353 19.294 19.000 -0.098 0.000 1.136 1144 A HN 0.927 nan 8.150 nan 0.000 0.500 1145 E N 0.091 120.162 120.200 -0.216 0.000 2.130 1145 E HA -0.231 4.122 4.350 0.005 0.000 0.196 1145 E C 0.974 177.334 176.600 -0.400 0.000 0.998 1145 E CA 2.120 58.356 56.400 -0.275 0.000 0.806 1145 E CB -0.053 29.563 29.700 -0.140 0.000 0.738 1145 E HN 0.726 nan 8.360 nan 0.000 0.459 1146 D N -1.560 118.703 120.400 -0.228 0.000 2.325 1146 D HA -0.079 4.564 4.640 0.005 0.000 0.225 1146 D C -0.028 176.307 176.300 0.058 0.000 1.096 1146 D CA -0.112 53.839 54.000 -0.082 0.000 0.844 1146 D CB -0.386 40.435 40.800 0.035 0.000 0.925 1146 D HN 0.300 nan 8.370 nan 0.000 0.513 1147 F N -1.208 118.716 119.950 -0.042 0.000 2.544 1147 F HA -0.234 4.296 4.527 0.006 0.000 0.389 1147 F C 0.454 176.227 175.800 -0.045 0.000 0.588 1147 F CA 0.693 58.642 58.000 -0.085 0.000 1.461 1147 F CB -2.574 36.382 39.000 -0.073 0.000 1.995 1147 F HN -0.118 nan 8.300 nan 0.000 0.282 1148 T N 2.281 116.901 114.554 0.110 0.000 2.871 1148 T HA 0.376 4.729 4.350 0.005 0.000 0.296 1148 T C 0.524 175.263 174.700 0.065 0.000 0.998 1148 T CA -0.030 62.142 62.100 0.120 0.000 1.162 1148 T CB 1.006 69.945 68.868 0.118 0.000 0.947 1148 T HN 0.065 nan 8.240 nan 0.000 0.536 1149 V N 5.330 125.297 119.914 0.088 0.000 2.481 1149 V HA 0.426 4.549 4.120 0.005 0.000 0.286 1149 V C 0.335 176.474 176.094 0.074 0.000 1.042 1149 V CA -0.467 61.864 62.300 0.052 0.000 0.928 1149 V CB 1.238 33.088 31.823 0.046 0.000 0.986 1149 V HN 0.757 nan 8.190 nan 0.000 0.462 1150 K N 3.941 124.358 120.400 0.029 0.000 2.435 1150 K HA 0.589 4.912 4.320 0.005 0.000 0.251 1150 K C -1.262 175.338 176.600 -0.000 0.000 0.954 1150 K CA -1.009 55.292 56.287 0.023 0.000 0.820 1150 K CB 2.442 34.922 32.500 -0.032 0.000 1.292 1150 K HN 0.354 nan 8.250 nan 0.000 0.436 1151 I N 2.072 122.642 120.570 -0.000 0.000 2.517 1151 I HA 0.290 4.463 4.170 0.005 0.000 0.285 1151 I C 0.689 176.802 176.117 -0.008 0.000 1.106 1151 I CA 0.529 61.830 61.300 0.003 0.000 1.402 1151 I CB -0.261 37.747 38.000 0.013 0.000 1.399 1151 I HN 0.813 nan 8.210 nan 0.000 0.535 1152 G N 5.283 114.079 108.800 -0.006 0.000 2.404 1152 G HA2 0.506 4.470 3.960 0.005 0.000 0.298 1152 G HA3 0.506 4.470 3.960 0.005 0.000 0.298 1152 G C -1.868 172.948 174.900 -0.141 0.000 1.577 1152 G CA -0.784 44.278 45.100 -0.063 0.000 0.847 1152 G HN 0.804 nan 8.290 nan 0.000 0.598 1153 D N -1.749 118.525 120.400 -0.209 0.000 2.710 1153 D HA 0.538 5.181 4.640 0.005 0.000 0.276 1153 D C -0.721 175.408 176.300 -0.284 0.000 1.267 1153 D CA -0.799 53.017 54.000 -0.307 0.000 0.772 1153 D CB 0.595 41.358 40.800 -0.062 0.000 1.299 1153 D HN 0.257 nan 8.370 nan 0.000 0.421 1154 F N 0.509 120.510 119.950 0.084 0.000 2.647 1154 F HA 0.623 5.154 4.527 0.006 0.000 0.300 1154 F C 1.105 176.975 175.800 0.116 0.000 1.106 1154 F CA 0.040 58.097 58.000 0.096 0.000 1.313 1154 F CB 0.718 39.772 39.000 0.089 0.000 1.007 1154 F HN 0.857 nan 8.300 nan 0.000 0.536 1155 G N 1.215 110.134 108.800 0.198 0.000 3.405 1155 G HA2 -0.174 3.789 3.960 0.005 0.000 0.676 1155 G HA3 -0.174 3.789 3.960 0.005 0.000 0.676 1155 G C 0.140 175.085 174.900 0.074 0.000 1.039 1155 G CA -0.659 44.506 45.100 0.108 0.000 0.855 1155 G HN 0.018 nan 8.290 nan 0.000 0.443 1156 M N 2.544 122.173 119.600 0.050 0.000 2.383 1156 M HA 0.082 4.565 4.480 0.005 0.000 0.247 1156 M C 2.329 178.654 176.300 0.043 0.000 1.117 1156 M CA 1.213 56.580 55.300 0.111 0.000 0.995 1156 M CB -0.365 32.374 32.600 0.233 0.000 1.480 1156 M HN 0.913 nan 8.290 nan 0.000 0.485 1157 T N -2.772 111.673 114.554 -0.181 0.000 3.088 1157 T HA 0.093 4.446 4.350 0.005 0.000 0.259 1157 T C 1.599 176.221 174.700 -0.130 0.000 1.122 1157 T CA 0.474 62.366 62.100 -0.347 0.000 1.095 1157 T CB 0.065 68.601 68.868 -0.554 0.000 0.930 1157 T HN 0.378 nan 8.240 nan 0.000 0.508 1158 R N -0.175 120.279 120.500 -0.076 0.000 2.476 1158 R HA 0.381 4.724 4.340 0.005 0.000 0.276 1158 R C -0.051 176.232 176.300 -0.028 0.000 0.941 1158 R CA -0.041 56.026 56.100 -0.055 0.000 1.088 1158 R CB 0.449 30.701 30.300 -0.081 0.000 1.216 1158 R HN 0.360 nan 8.270 nan 0.000 0.533 1159 D N -0.082 120.309 120.400 -0.015 0.000 2.568 1159 D HA 0.137 4.780 4.640 0.005 0.000 0.219 1159 D C 1.194 177.451 176.300 -0.071 0.000 1.239 1159 D CA -0.527 53.446 54.000 -0.045 0.000 1.096 1159 D CB 0.723 41.487 40.800 -0.060 0.000 1.198 1159 D HN -0.055 nan 8.370 nan 0.000 0.620 1160 I N -1.199 119.252 120.570 -0.199 0.000 3.001 1160 I HA -0.011 4.162 4.170 0.005 0.000 0.268 1160 I C 0.374 176.357 176.117 -0.224 0.000 1.267 1160 I CA 0.919 62.068 61.300 -0.251 0.000 1.472 1160 I CB -0.241 37.542 38.000 -0.362 0.000 1.089 1160 I HN 0.183 nan 8.210 nan 0.000 0.468 1161 Y N 2.477 122.837 120.300 0.099 0.000 2.532 1161 Y HA 0.175 4.729 4.550 0.007 0.000 0.283 1161 Y C 2.110 178.125 175.900 0.190 0.000 1.181 1161 Y CA -0.766 57.407 58.100 0.122 0.000 1.256 1161 Y CB -1.070 37.448 38.460 0.096 0.000 1.112 1161 Y HN 0.413 nan 8.280 nan 0.000 0.521 1162 E N -0.311 120.041 120.200 0.254 0.000 2.171 1162 E HA -0.245 4.109 4.350 0.005 0.000 0.197 1162 E C 1.474 178.263 176.600 0.316 0.000 0.997 1162 E CA 1.917 58.477 56.400 0.266 0.000 0.810 1162 E CB -0.660 29.117 29.700 0.128 0.000 0.738 1162 E HN 0.438 nan 8.360 nan 0.000 0.467 1163 T N -1.437 113.267 114.554 0.249 0.000 3.163 1163 T HA -0.039 4.314 4.350 0.005 0.000 0.260 1163 T C 0.811 175.643 174.700 0.219 0.000 1.156 1163 T CA 0.765 62.996 62.100 0.218 0.000 1.072 1163 T CB -0.066 68.907 68.868 0.175 0.000 0.937 1163 T HN 0.000 nan 8.240 nan 0.000 0.528 1164 D N 0.415 120.933 120.400 0.198 0.000 2.363 1164 D HA 0.134 4.777 4.640 0.005 0.000 0.226 1164 D C -0.489 175.661 176.300 -0.250 0.000 1.020 1164 D CA 0.462 54.472 54.000 0.016 0.000 0.892 1164 D CB -0.094 40.548 40.800 -0.264 0.000 0.900 1164 D HN 0.556 nan 8.370 nan 0.000 0.531 1165 Y N -0.888 119.528 120.300 0.192 0.000 2.524 1165 Y HA 0.405 4.959 4.550 0.007 0.000 0.344 1165 Y C -0.663 175.385 175.900 0.247 0.000 1.012 1165 Y CA -1.407 56.807 58.100 0.191 0.000 1.068 1165 Y CB 1.434 39.963 38.460 0.115 0.000 1.249 1165 Y HN -0.232 nan 8.280 nan 0.000 0.468 1166 Y N 2.697 123.139 120.300 0.235 0.000 2.361 1166 Y HA 0.533 5.087 4.550 0.006 0.000 0.337 1166 Y C -0.999 174.980 175.900 0.132 0.000 0.965 1166 Y CA -1.865 56.324 58.100 0.149 0.000 1.091 1166 Y CB 1.351 39.877 38.460 0.109 0.000 1.182 1166 Y HN 0.640 nan 8.280 nan 0.000 0.450 1167 R N 6.542 126.917 120.500 -0.208 0.000 2.287 1167 R HA 0.286 4.629 4.340 0.005 0.000 0.316 1167 R C -0.377 175.603 176.300 -0.532 0.000 1.050 1167 R CA -0.532 55.391 56.100 -0.296 0.000 0.983 1167 R CB 0.621 30.859 30.300 -0.103 0.000 1.140 1167 R HN 0.871 nan 8.270 nan 0.000 0.528 1173 L N 0.557 121.782 121.223 0.002 0.000 2.367 1173 L HA 0.500 4.843 4.340 0.005 0.000 0.275 1173 L C -0.130 176.858 176.870 0.197 0.000 1.129 1173 L CA -0.304 54.577 54.840 0.069 0.000 0.839 1173 L CB 0.770 42.814 42.059 -0.025 0.000 1.133 1173 L HN 0.271 nan 8.230 nan 0.000 0.453 1174 L N 5.994 127.388 121.223 0.285 0.000 2.362 1174 L HA 0.429 4.772 4.340 0.005 0.000 0.275 1174 L C -2.109 174.983 176.870 0.370 0.000 0.998 1174 L CA -1.681 53.360 54.840 0.335 0.000 0.820 1174 L CB 2.188 44.409 42.059 0.271 0.000 1.270 1174 L HN 0.384 nan 8.230 nan 0.000 0.415 1175 P HA 0.017 nan 4.420 nan 0.000 0.225 1175 P C 1.057 178.547 177.300 0.317 0.000 1.813 1175 P CA -0.225 62.942 63.100 0.112 0.000 1.013 1175 P CB 0.308 32.007 31.700 -0.002 0.000 1.961 1176 V N 1.189 121.266 119.914 0.273 0.000 2.392 1176 V HA -0.243 3.881 4.120 0.005 0.000 0.249 1176 V C 2.064 178.238 176.094 0.133 0.000 1.059 1176 V CA 1.321 63.735 62.300 0.191 0.000 1.051 1176 V CB -1.458 30.443 31.823 0.130 0.000 0.658 1176 V HN 0.178 nan 8.190 nan 0.000 0.455 1177 R N -1.101 119.508 120.500 0.181 0.000 2.316 1177 R HA 0.037 4.380 4.340 0.005 0.000 0.202 1177 R C 1.760 177.992 176.300 -0.113 0.000 1.029 1177 R CA 1.374 57.460 56.100 -0.023 0.000 1.018 1177 R CB -0.191 29.973 30.300 -0.226 0.000 0.888 1177 R HN 0.646 nan 8.270 nan 0.000 0.471 1178 W N -0.271 121.129 121.300 0.167 0.000 3.127 1178 W HA 0.295 4.960 4.660 0.009 0.000 0.344 1178 W C 0.099 176.815 176.519 0.327 0.000 1.151 1178 W CA -0.485 57.013 57.345 0.256 0.000 1.765 1178 W CB 0.328 29.899 29.460 0.185 0.000 1.085 1178 W HN 0.000 nan 8.180 nan 0.000 0.596 1179 M N 0.966 120.755 119.600 0.316 0.000 2.314 1179 M HA 0.115 4.598 4.480 0.005 0.000 0.342 1179 M C 1.062 177.085 176.300 -0.461 0.000 1.171 1179 M CA 0.011 55.357 55.300 0.077 0.000 1.098 1179 M CB 1.491 34.127 32.600 0.059 0.000 1.559 1179 M HN -0.269 nan 8.290 nan 0.000 0.459 1180 S N 2.202 117.484 115.700 -0.697 0.000 2.584 1180 S HA 0.230 4.703 4.470 0.005 0.000 0.270 1180 S C -2.088 171.938 174.600 -0.957 0.000 1.346 1180 S CA -1.089 56.313 58.200 -1.329 0.000 1.018 1180 S CB 0.327 63.121 63.200 -0.676 0.000 0.899 1180 S HN 0.457 nan 8.310 nan 0.000 0.542 1181 P HA -0.193 nan 4.420 nan 0.000 0.216 1181 P C 1.667 178.669 177.300 -0.497 0.000 1.153 1181 P CA 1.579 64.257 63.100 -0.703 0.000 0.858 1181 P CB -0.103 31.053 31.700 -0.907 0.000 0.789 1182 E N -0.314 119.588 120.200 -0.498 0.000 2.107 1182 E HA -0.089 4.264 4.350 0.005 0.000 0.191 1182 E C 1.726 178.143 176.600 -0.306 0.000 0.982 1182 E CA 1.363 57.565 56.400 -0.329 0.000 0.809 1182 E CB -1.213 28.329 29.700 -0.263 0.000 0.756 1182 E HN 0.144 nan 8.360 nan 0.000 0.459 1183 S N 1.444 116.910 115.700 -0.390 0.000 2.368 1183 S HA -0.001 4.472 4.470 0.005 0.000 0.224 1183 S C 2.176 176.559 174.600 -0.361 0.000 1.029 1183 S CA 0.929 58.835 58.200 -0.490 0.000 0.988 1183 S CB -0.318 62.460 63.200 -0.703 0.000 0.838 1183 S HN 0.199 nan 8.310 nan 0.000 0.462 1184 L N 1.247 122.293 121.223 -0.296 0.000 2.127 1184 L HA -0.120 4.223 4.340 0.005 0.000 0.211 1184 L C 2.704 179.492 176.870 -0.138 0.000 1.089 1184 L CA 1.126 55.856 54.840 -0.183 0.000 0.757 1184 L CB -0.387 41.559 42.059 -0.188 0.000 0.899 1184 L HN 0.217 nan 8.230 nan 0.000 0.434 1185 K N 0.293 120.597 120.400 -0.160 0.000 2.044 1185 K HA -0.153 4.171 4.320 0.005 0.000 0.204 1185 K C 1.256 177.800 176.600 -0.093 0.000 1.049 1185 K CA 1.910 58.131 56.287 -0.109 0.000 0.945 1185 K CB 0.084 32.520 32.500 -0.108 0.000 0.724 1185 K HN 0.431 nan 8.250 nan 0.000 0.440 1186 D N -2.431 117.896 120.400 -0.121 0.000 2.500 1186 D HA 0.091 4.734 4.640 0.005 0.000 0.217 1186 D C 0.945 177.184 176.300 -0.101 0.000 1.159 1186 D CA 0.770 54.714 54.000 -0.092 0.000 0.828 1186 D CB 0.330 41.082 40.800 -0.079 0.000 1.039 1186 D HN 0.326 nan 8.370 nan 0.000 0.512 1187 G N 0.208 108.908 108.800 -0.165 0.000 2.162 1187 G HA2 -0.246 3.717 3.960 0.005 0.000 0.260 1187 G HA3 -0.246 3.717 3.960 0.005 0.000 0.260 1187 G C 0.134 174.920 174.900 -0.190 0.000 0.976 1187 G CA 0.471 45.477 45.100 -0.157 0.000 0.655 1187 G HN 0.408 nan 8.290 nan 0.000 0.533 1188 V N 0.496 120.264 119.914 -0.243 0.000 2.567 1188 V HA 0.760 4.883 4.120 0.005 0.000 0.289 1188 V C 0.155 176.051 176.094 -0.329 0.000 1.049 1188 V CA -0.546 61.674 62.300 -0.133 0.000 0.969 1188 V CB 1.271 33.060 31.823 -0.056 0.000 0.995 1188 V HN 0.191 nan 8.190 nan 0.000 0.471 1189 F N 1.943 121.894 119.950 0.001 0.000 2.508 1189 F HA 0.758 5.288 4.527 0.005 0.000 0.325 1189 F C 0.537 176.333 175.800 -0.006 0.000 1.090 1189 F CA -0.418 57.589 58.000 0.012 0.000 0.945 1189 F CB 2.276 41.289 39.000 0.021 0.000 1.156 1189 F HN 0.624 nan 8.300 nan 0.000 0.463 1190 T N -3.770 110.878 114.554 0.158 0.000 2.812 1190 T HA 0.285 4.639 4.350 0.005 0.000 0.294 1190 T C 0.826 175.520 174.700 -0.010 0.000 1.159 1190 T CA -0.091 62.012 62.100 0.005 0.000 1.008 1190 T CB 1.186 70.013 68.868 -0.068 0.000 1.289 1190 T HN 0.648 nan 8.240 nan 0.000 0.514 1191 T N -0.992 113.451 114.554 -0.185 0.000 2.759 1191 T HA -0.182 4.171 4.350 0.005 0.000 0.269 1191 T C 1.511 176.195 174.700 -0.027 0.000 1.042 1191 T CA 1.495 63.545 62.100 -0.082 0.000 1.140 1191 T CB -1.058 67.727 68.868 -0.139 0.000 0.864 1191 T HN 0.640 nan 8.240 nan 0.000 0.455 1192 Y N 2.968 123.320 120.300 0.086 0.000 2.224 1192 Y HA -0.046 4.508 4.550 0.007 0.000 0.289 1192 Y C 3.200 179.178 175.900 0.128 0.000 1.146 1192 Y CA 0.612 58.749 58.100 0.063 0.000 1.182 1192 Y CB -1.215 37.270 38.460 0.040 0.000 0.983 1192 Y HN 0.491 nan 8.280 nan 0.000 0.524 1193 S N -0.822 115.042 115.700 0.272 0.000 2.436 1193 S HA -0.122 4.351 4.470 0.005 0.000 0.228 1193 S C 1.495 176.328 174.600 0.387 0.000 1.014 1193 S CA 0.993 59.361 58.200 0.281 0.000 0.950 1193 S CB -0.342 62.949 63.200 0.152 0.000 0.784 1193 S HN 0.303 nan 8.310 nan 0.000 0.504 1194 D N 1.892 122.510 120.400 0.364 0.000 2.123 1194 D HA -0.046 4.597 4.640 0.005 0.000 0.196 1194 D C 2.064 178.661 176.300 0.495 0.000 0.992 1194 D CA 0.985 55.262 54.000 0.462 0.000 0.833 1194 D CB -0.527 40.588 40.800 0.525 0.000 0.954 1194 D HN 0.322 nan 8.370 nan 0.000 0.455 1195 V N 0.869 120.908 119.914 0.209 0.000 2.343 1195 V HA -0.200 3.923 4.120 0.005 0.000 0.247 1195 V C 2.172 178.441 176.094 0.292 0.000 1.051 1195 V CA 1.263 63.539 62.300 -0.040 0.000 1.036 1195 V CB -0.470 31.178 31.823 -0.292 0.000 0.654 1195 V HN 0.395 nan 8.190 nan 0.000 0.451 1196 W N 1.251 122.684 121.300 0.223 0.000 2.317 1196 W HA -0.260 4.408 4.660 0.013 0.000 0.318 1196 W C 2.554 179.333 176.519 0.433 0.000 1.227 1196 W CA 2.422 59.969 57.345 0.337 0.000 1.269 1196 W CB -0.665 28.946 29.460 0.251 0.000 1.155 1196 W HN 0.340 nan 8.180 nan 0.000 0.484 1197 S N 0.720 116.846 115.700 0.710 0.000 2.370 1197 S HA -0.259 4.214 4.470 0.005 0.000 0.226 1197 S C 1.553 176.471 174.600 0.530 0.000 1.033 1197 S CA 1.711 60.298 58.200 0.645 0.000 1.011 1197 S CB -1.154 62.397 63.200 0.585 0.000 0.852 1197 S HN 0.353 nan 8.310 nan 0.000 0.457 1198 F N 2.648 122.813 119.950 0.358 0.000 2.126 1198 F HA -0.079 4.448 4.527 0.000 0.000 0.299 1198 F C 2.281 178.176 175.800 0.158 0.000 1.096 1198 F CA 1.314 59.486 58.000 0.287 0.000 1.255 1198 F CB -0.991 38.238 39.000 0.381 0.000 0.997 1198 F HN 0.217 nan 8.300 nan 0.000 0.479 1199 G N -0.019 108.818 108.800 0.062 0.000 2.440 1199 G HA2 -0.240 3.723 3.960 0.005 0.000 0.218 1199 G HA3 -0.240 3.723 3.960 0.005 0.000 0.218 1199 G C 1.719 176.660 174.900 0.068 0.000 1.154 1199 G CA 1.322 46.238 45.100 -0.306 0.000 0.767 1199 G HN 0.355 nan 8.290 nan 0.000 0.552 1200 V N 0.609 120.759 119.914 0.392 0.000 2.407 1200 V HA -0.177 3.946 4.120 0.005 0.000 0.248 1200 V C 3.014 179.281 176.094 0.287 0.000 1.055 1200 V CA 1.458 63.944 62.300 0.311 0.000 1.049 1200 V CB -0.502 31.336 31.823 0.026 0.000 0.662 1200 V HN 0.253 nan 8.190 nan 0.000 0.455 1201 V N -0.076 119.974 119.914 0.226 0.000 2.343 1201 V HA -0.266 3.858 4.120 0.005 0.000 0.247 1201 V C 2.354 178.446 176.094 -0.003 0.000 1.051 1201 V CA 1.956 64.342 62.300 0.143 0.000 1.036 1201 V CB -0.595 31.262 31.823 0.057 0.000 0.654 1201 V HN 0.450 nan 8.190 nan 0.000 0.451 1202 L N -1.544 119.563 121.223 -0.194 0.000 2.042 1202 L HA -0.252 4.091 4.340 0.005 0.000 0.210 1202 L C 2.334 179.209 176.870 0.008 0.000 1.076 1202 L CA 2.389 57.118 54.840 -0.185 0.000 0.749 1202 L CB -0.598 41.270 42.059 -0.320 0.000 0.893 1202 L HN 0.518 nan 8.230 nan 0.000 0.432 1203 W N 1.358 122.628 121.300 -0.051 0.000 2.358 1203 W HA -0.185 4.473 4.660 -0.004 0.000 0.303 1203 W C 2.458 178.975 176.519 -0.004 0.000 1.208 1203 W CA 1.634 58.995 57.345 0.027 0.000 1.274 1203 W CB 0.029 29.579 29.460 0.151 0.000 1.138 1203 W HN 0.098 nan 8.180 nan 0.000 0.515 1204 E N 0.202 120.582 120.200 0.299 0.000 2.058 1204 E HA -0.280 4.073 4.350 0.005 0.000 0.194 1204 E C 2.076 178.660 176.600 -0.028 0.000 0.997 1204 E CA 1.990 58.477 56.400 0.145 0.000 0.801 1204 E CB -0.608 29.246 29.700 0.256 0.000 0.746 1204 E HN 0.372 nan 8.360 nan 0.000 0.450 1205 I N 1.202 121.763 120.570 -0.015 0.000 2.163 1205 I HA -0.289 3.884 4.170 0.005 0.000 0.243 1205 I C 2.484 178.534 176.117 -0.112 0.000 1.085 1205 I CA 1.188 62.461 61.300 -0.044 0.000 1.347 1205 I CB -0.275 37.702 38.000 -0.039 0.000 1.044 1205 I HN 0.083 nan 8.210 nan 0.000 0.408 1206 A N -0.008 122.708 122.820 -0.173 0.000 2.119 1206 A HA -0.122 4.201 4.320 0.005 0.000 0.217 1206 A C 2.109 179.496 177.584 -0.329 0.000 1.153 1206 A CA 1.785 53.686 52.037 -0.226 0.000 0.692 1206 A CB -0.765 18.103 19.000 -0.221 0.000 0.799 1206 A HN 0.529 nan 8.150 nan 0.000 0.458 1207 T N -3.516 110.772 114.554 -0.442 0.000 3.092 1207 T HA 0.427 4.780 4.350 0.005 0.000 0.258 1207 T C 0.455 174.993 174.700 -0.270 0.000 1.031 1207 T CA 0.109 61.922 62.100 -0.478 0.000 0.925 1207 T CB -0.605 67.725 68.868 -0.896 0.000 1.036 1207 T HN 0.546 nan 8.240 nan 0.000 0.544 1208 L N 0.591 121.707 121.223 -0.179 0.000 3.660 1208 L HA -0.244 4.099 4.340 0.005 0.000 0.440 1208 L C 0.901 177.731 176.870 -0.067 0.000 1.262 1208 L CA 0.121 54.901 54.840 -0.099 0.000 0.837 1208 L CB -2.576 39.428 42.059 -0.093 0.000 1.689 1208 L HN 0.755 nan 8.230 nan 0.000 0.890 1209 A N -0.885 121.902 122.820 -0.055 0.000 2.734 1209 A HA -0.197 4.126 4.320 0.005 0.000 0.296 1209 A C 0.793 178.404 177.584 0.046 0.000 1.474 1209 A CA 1.480 53.533 52.037 0.027 0.000 0.735 1209 A CB -1.297 17.724 19.000 0.035 0.000 1.062 1209 A HN 0.701 nan 8.150 nan 0.000 0.463 1210 E N -0.092 120.106 120.200 -0.004 0.000 2.422 1210 E HA 0.126 4.479 4.350 0.005 0.000 0.260 1210 E C 0.631 177.383 176.600 0.253 0.000 1.108 1210 E CA -0.039 56.413 56.400 0.087 0.000 0.943 1210 E CB 0.375 30.087 29.700 0.020 0.000 0.961 1210 E HN 0.673 nan 8.360 nan 0.000 0.443 1211 Q N 2.698 122.617 119.800 0.198 0.000 2.271 1211 Q HA 0.086 4.429 4.340 0.005 0.000 0.273 1211 Q C -2.262 173.777 176.000 0.065 0.000 1.051 1211 Q CA -1.681 54.214 55.803 0.154 0.000 0.901 1211 Q CB 0.459 29.267 28.738 0.117 0.000 1.174 1211 Q HN 0.087 nan 8.270 nan 0.000 0.385 1212 P HA -0.077 nan 4.420 nan 0.000 0.268 1212 P C -1.317 175.702 177.300 -0.468 0.000 1.204 1212 P CA 0.373 63.000 63.100 -0.789 0.000 0.768 1212 P CB 0.130 31.175 31.700 -1.092 0.000 0.842 1213 Y N -0.767 119.270 120.300 -0.439 0.000 3.689 1213 Y HA -0.234 4.318 4.550 0.003 0.000 0.221 1213 Y C 1.004 176.779 175.900 -0.209 0.000 1.247 1213 Y CA 0.203 58.102 58.100 -0.334 0.000 1.671 1213 Y CB -2.545 35.709 38.460 -0.344 0.000 1.521 1213 Y HN 0.414 nan 8.280 nan 0.000 0.632 1214 Q N 1.513 121.284 119.800 -0.047 0.000 2.283 1214 Q HA 0.273 4.616 4.340 0.005 0.000 0.301 1214 Q C 1.414 177.396 176.000 -0.029 0.000 1.063 1214 Q CA 1.898 57.697 55.803 -0.006 0.000 0.952 1214 Q CB 0.789 29.545 28.738 0.030 0.000 1.166 1214 Q HN 1.029 nan 8.270 nan 0.000 0.381 1215 G N 3.338 112.122 108.800 -0.026 0.000 2.232 1215 G HA2 -0.219 3.744 3.960 0.005 0.000 0.226 1215 G HA3 -0.219 3.744 3.960 0.005 0.000 0.226 1215 G C 0.007 174.868 174.900 -0.064 0.000 0.996 1215 G CA 0.116 45.191 45.100 -0.041 0.000 0.626 1215 G HN 0.517 nan 8.290 nan 0.000 0.509 1216 L N 2.478 123.652 121.223 -0.082 0.000 2.307 1216 L HA 0.579 4.922 4.340 0.005 0.000 0.282 1216 L C 1.398 178.211 176.870 -0.095 0.000 1.051 1216 L CA -0.196 54.577 54.840 -0.111 0.000 0.804 1216 L CB 1.618 43.574 42.059 -0.172 0.000 1.197 1216 L HN 0.449 nan 8.230 nan 0.000 0.431 1217 S N 1.688 117.327 115.700 -0.101 0.000 2.596 1217 S HA 0.089 4.563 4.470 0.005 0.000 0.260 1217 S C 0.959 175.449 174.600 -0.184 0.000 1.336 1217 S CA -0.612 57.519 58.200 -0.115 0.000 0.993 1217 S CB 0.773 63.912 63.200 -0.101 0.000 0.923 1217 S HN 0.611 nan 8.310 nan 0.000 0.567 1218 N N 1.426 119.968 118.700 -0.264 0.000 2.069 1218 N HA -0.121 4.623 4.740 0.005 0.000 0.191 1218 N C 1.597 176.840 175.510 -0.445 0.000 1.031 1218 N CA 1.453 54.239 53.050 -0.440 0.000 0.852 1218 N CB -0.555 37.420 38.487 -0.853 0.000 1.018 1218 N HN 0.667 nan 8.380 nan 0.000 0.423 1219 E N 1.231 121.199 120.200 -0.387 0.000 2.110 1219 E HA -0.131 4.222 4.350 0.005 0.000 0.193 1219 E C 1.916 178.434 176.600 -0.138 0.000 0.988 1219 E CA 0.723 56.997 56.400 -0.210 0.000 0.804 1219 E CB -0.141 29.496 29.700 -0.106 0.000 0.745 1219 E HN 0.535 nan 8.360 nan 0.000 0.458 1220 Q N 0.134 119.852 119.800 -0.137 0.000 2.119 1220 Q HA -0.092 4.251 4.340 0.005 0.000 0.201 1220 Q C 2.359 178.285 176.000 -0.123 0.000 0.972 1220 Q CA 1.071 56.811 55.803 -0.105 0.000 0.847 1220 Q CB 0.037 28.709 28.738 -0.109 0.000 0.903 1220 Q HN 0.098 nan 8.270 nan 0.000 0.433 1221 V N 0.803 120.593 119.914 -0.207 0.000 2.295 1221 V HA -0.273 3.850 4.120 0.005 0.000 0.246 1221 V C 2.153 178.109 176.094 -0.230 0.000 1.049 1221 V CA 1.408 63.518 62.300 -0.315 0.000 1.024 1221 V CB -0.492 31.083 31.823 -0.412 0.000 0.648 1221 V HN 0.267 nan 8.190 nan 0.000 0.447 1222 L N -0.186 120.931 121.223 -0.176 0.000 1.990 1222 L HA -0.222 4.121 4.340 0.005 0.000 0.213 1222 L C 2.623 179.440 176.870 -0.088 0.000 1.072 1222 L CA 2.247 57.014 54.840 -0.121 0.000 0.755 1222 L CB -0.822 41.197 42.059 -0.067 0.000 0.889 1222 L HN 0.249 nan 8.230 nan 0.000 0.432 1223 R N -1.495 118.973 120.500 -0.053 0.000 2.066 1223 R HA -0.221 4.122 4.340 0.005 0.000 0.232 1223 R C 2.454 178.755 176.300 0.002 0.000 1.131 1223 R CA 1.682 57.770 56.100 -0.020 0.000 0.955 1223 R CB -0.500 29.799 30.300 -0.002 0.000 0.851 1223 R HN 0.275 nan 8.270 nan 0.000 0.432 1224 F N 0.881 120.747 119.950 -0.142 0.000 2.095 1224 F HA -0.229 4.301 4.527 0.005 0.000 0.298 1224 F C 1.969 177.703 175.800 -0.109 0.000 1.104 1224 F CA 1.670 59.592 58.000 -0.129 0.000 1.232 1224 F CB -0.393 38.502 39.000 -0.176 0.000 0.987 1224 F HN -0.182 nan 8.300 nan 0.000 0.475 1225 V N 0.369 120.187 119.914 -0.159 0.000 2.379 1225 V HA -0.298 3.826 4.120 0.005 0.000 0.245 1225 V C 2.418 178.440 176.094 -0.121 0.000 1.044 1225 V CA 2.010 64.192 62.300 -0.197 0.000 1.036 1225 V CB -0.544 31.148 31.823 -0.219 0.000 0.664 1225 V HN 0.363 nan 8.190 nan 0.000 0.453 1226 M N -0.601 118.937 119.600 -0.102 0.000 2.229 1226 M HA -0.098 4.385 4.480 0.005 0.000 0.264 1226 M C 1.656 177.991 176.300 0.057 0.000 1.063 1226 M CA 1.285 56.577 55.300 -0.015 0.000 1.114 1226 M CB -0.274 32.297 32.600 -0.048 0.000 1.387 1226 M HN 0.253 nan 8.290 nan 0.000 0.420 1227 E N -0.040 120.125 120.200 -0.059 0.000 2.445 1227 E HA 0.114 4.467 4.350 0.005 0.000 0.189 1227 E C 1.128 177.608 176.600 -0.200 0.000 1.069 1227 E CA 0.426 56.754 56.400 -0.120 0.000 0.871 1227 E CB -0.042 29.591 29.700 -0.110 0.000 0.991 1227 E HN 0.631 nan 8.360 nan 0.000 0.481 1228 G N 0.787 109.504 108.800 -0.139 0.000 2.141 1228 G HA2 -0.227 3.736 3.960 0.005 0.000 0.242 1228 G HA3 -0.227 3.736 3.960 0.005 0.000 0.242 1228 G C 0.621 175.382 174.900 -0.232 0.000 0.982 1228 G CA -0.064 44.957 45.100 -0.131 0.000 0.662 1228 G HN 0.486 nan 8.290 nan 0.000 0.527 1229 G N -0.631 107.822 108.800 -0.578 0.000 2.503 1229 G HA2 0.639 4.602 3.960 0.005 0.000 0.257 1229 G HA3 0.639 4.602 3.960 0.005 0.000 0.257 1229 G C -0.022 174.564 174.900 -0.524 0.000 1.214 1229 G CA -0.317 44.135 45.100 -1.080 0.000 0.839 1229 G HN 0.718 nan 8.290 nan 0.000 0.559 1230 L N 0.261 121.409 121.223 -0.125 0.000 2.350 1230 L HA 0.437 4.780 4.340 0.005 0.000 0.260 1230 L C 0.050 177.001 176.870 0.135 0.000 1.015 1230 L CA -1.040 53.811 54.840 0.018 0.000 0.821 1230 L CB 2.071 44.156 42.059 0.042 0.000 1.370 1230 L HN 0.313 nan 8.230 nan 0.000 0.416 1231 L N 1.193 122.238 121.223 -0.297 0.000 2.483 1231 L HA 0.063 4.407 4.340 0.005 0.000 0.276 1231 L C -0.090 176.843 176.870 0.105 0.000 1.213 1231 L CA -0.009 54.587 54.840 -0.405 0.000 0.843 1231 L CB 0.078 41.451 42.059 -1.143 0.000 1.107 1231 L HN 0.477 nan 8.230 nan 0.000 0.487 1232 D N 2.209 122.705 120.400 0.161 0.000 2.339 1232 D HA 0.051 4.694 4.640 0.005 0.000 0.245 1232 D C 0.091 176.529 176.300 0.231 0.000 1.115 1232 D CA -0.319 53.806 54.000 0.209 0.000 0.917 1232 D CB 0.940 41.808 40.800 0.114 0.000 1.192 1232 D HN 0.314 nan 8.370 nan 0.000 0.428 1233 K N 2.200 122.474 120.400 -0.209 0.000 2.453 1233 K HA 0.062 4.385 4.320 0.005 0.000 0.280 1233 K C -2.255 174.197 176.600 -0.247 0.000 1.045 1233 K CA -0.955 54.922 56.287 -0.683 0.000 1.059 1233 K CB 0.175 31.947 32.500 -1.213 0.000 0.901 1233 K HN 0.076 nan 8.250 nan 0.000 0.475 1234 P HA -0.033 nan 4.420 nan 0.000 0.268 1234 P C -1.100 176.079 177.300 -0.202 0.000 1.208 1234 P CA -0.098 62.862 63.100 -0.233 0.000 0.777 1234 P CB 0.417 31.881 31.700 -0.394 0.000 0.875 1235 D N 1.898 122.197 120.400 -0.169 0.000 2.493 1235 D HA -0.031 4.612 4.640 0.005 0.000 0.240 1235 D C 0.576 176.796 176.300 -0.134 0.000 1.142 1235 D CA 0.661 54.580 54.000 -0.134 0.000 0.872 1235 D CB -0.611 40.123 40.800 -0.110 0.000 1.173 1235 D HN 0.409 nan 8.370 nan 0.000 0.467 1236 N N -0.547 118.085 118.700 -0.113 0.000 2.741 1236 N HA -0.221 4.522 4.740 0.005 0.000 0.251 1236 N C -0.214 175.236 175.510 -0.100 0.000 1.112 1236 N CA 0.229 53.222 53.050 -0.096 0.000 0.750 1236 N CB -1.349 37.087 38.487 -0.084 0.000 1.119 1236 N HN 0.438 nan 8.380 nan 0.000 0.561 1237 C N 1.572 120.798 119.300 -0.122 0.000 2.632 1237 C HA 0.244 4.707 4.460 0.005 0.000 0.415 1237 C C -1.622 173.330 174.990 -0.064 0.000 1.332 1237 C CA -1.478 57.476 59.018 -0.106 0.000 1.874 1237 C CB -0.304 27.358 27.740 -0.130 0.000 2.596 1237 C HN 0.203 nan 8.230 nan 0.000 0.590 1238 P HA 0.083 nan 4.420 nan 0.000 0.264 1238 P C 0.304 177.610 177.300 0.011 0.000 1.193 1238 P CA 0.590 63.676 63.100 -0.023 0.000 0.763 1238 P CB 0.471 32.154 31.700 -0.027 0.000 0.810 1239 D N 3.168 123.580 120.400 0.019 0.000 2.123 1239 D HA -0.219 4.424 4.640 0.005 0.000 0.196 1239 D C 1.713 178.050 176.300 0.062 0.000 0.992 1239 D CA 1.730 55.767 54.000 0.062 0.000 0.833 1239 D CB -0.161 40.665 40.800 0.044 0.000 0.954 1239 D HN 0.416 nan 8.370 nan 0.000 0.455 1240 M N -0.819 118.792 119.600 0.019 0.000 2.213 1240 M HA -0.069 4.414 4.480 0.005 0.000 0.263 1240 M C 1.729 178.019 176.300 -0.016 0.000 1.062 1240 M CA 1.520 56.818 55.300 -0.004 0.000 1.105 1240 M CB -0.599 31.992 32.600 -0.016 0.000 1.385 1240 M HN 0.017 nan 8.290 nan 0.000 0.417 1241 L N -1.236 119.985 121.223 -0.003 0.000 2.109 1241 L HA -0.032 4.311 4.340 0.005 0.000 0.207 1241 L C 2.530 179.392 176.870 -0.013 0.000 1.086 1241 L CA 0.929 55.754 54.840 -0.024 0.000 0.760 1241 L CB -0.688 41.355 42.059 -0.026 0.000 0.910 1241 L HN 0.331 nan 8.230 nan 0.000 0.437 1242 F N 1.107 120.994 119.950 -0.105 0.000 2.186 1242 F HA -0.156 4.372 4.527 0.002 0.000 0.299 1242 F C 2.527 178.242 175.800 -0.140 0.000 1.090 1242 F CA 1.312 59.247 58.000 -0.108 0.000 1.307 1242 F CB -0.099 38.877 39.000 -0.041 0.000 1.019 1242 F HN 0.011 nan 8.300 nan 0.000 0.489 1243 E N 0.480 120.597 120.200 -0.138 0.000 2.110 1243 E HA -0.213 4.140 4.350 0.005 0.000 0.193 1243 E C 2.552 178.983 176.600 -0.282 0.000 0.988 1243 E CA 0.951 57.215 56.400 -0.227 0.000 0.804 1243 E CB -0.817 28.828 29.700 -0.091 0.000 0.745 1243 E HN 0.440 nan 8.360 nan 0.000 0.458 1244 L N 0.070 121.155 121.223 -0.229 0.000 2.056 1244 L HA -0.163 4.180 4.340 0.005 0.000 0.207 1244 L C 2.481 179.106 176.870 -0.408 0.000 1.078 1244 L CA 0.962 55.668 54.840 -0.224 0.000 0.749 1244 L CB -0.189 41.798 42.059 -0.121 0.000 0.901 1244 L HN 0.199 nan 8.230 nan 0.000 0.433 1245 M N -0.889 118.352 119.600 -0.598 0.000 2.082 1245 M HA -0.300 4.183 4.480 0.005 0.000 0.258 1245 M C 2.317 177.826 176.300 -1.319 0.000 1.069 1245 M CA 1.944 56.540 55.300 -1.174 0.000 1.102 1245 M CB -0.489 31.369 32.600 -1.238 0.000 1.336 1245 M HN 0.172 nan 8.290 nan 0.000 0.404 1246 R N -0.183 119.779 120.500 -0.897 0.000 2.105 1246 R HA -0.111 4.232 4.340 0.005 0.000 0.239 1246 R C 2.148 178.249 176.300 -0.332 0.000 1.135 1246 R CA 1.534 57.312 56.100 -0.537 0.000 0.967 1246 R CB -0.388 29.616 30.300 -0.493 0.000 0.861 1246 R HN 0.443 nan 8.270 nan 0.000 0.442 1247 M N -0.317 119.091 119.600 -0.320 0.000 2.086 1247 M HA -0.211 4.272 4.480 0.005 0.000 0.261 1247 M C 2.446 178.639 176.300 -0.180 0.000 1.067 1247 M CA 1.408 56.593 55.300 -0.193 0.000 1.116 1247 M CB -0.347 32.158 32.600 -0.158 0.000 1.348 1247 M HN 0.251 nan 8.290 nan 0.000 0.407 1248 C N -0.853 118.261 119.300 -0.310 0.000 2.419 1248 C HA -0.137 4.326 4.460 0.005 0.000 0.281 1248 C C 1.598 176.499 174.990 -0.148 0.000 1.336 1248 C CA 0.262 59.132 59.018 -0.247 0.000 1.770 1248 C CB -1.075 26.456 27.740 -0.348 0.000 1.929 1248 C HN 0.654 nan 8.230 nan 0.000 0.509 1249 W N 1.029 122.118 121.300 -0.352 0.000 3.194 1249 W HA 0.315 4.975 4.660 -0.000 0.000 0.408 1249 W C 0.419 176.907 176.519 -0.051 0.000 1.072 1249 W CA -0.854 56.144 57.345 -0.580 0.000 1.953 1249 W CB -1.368 27.581 29.460 -0.853 0.000 1.091 1249 W HN 0.480 nan 8.180 nan 0.000 0.699 1250 Q N 0.270 120.200 119.800 0.215 0.000 2.289 1250 Q HA -0.086 4.257 4.340 0.005 0.000 0.273 1250 Q C 1.084 177.283 176.000 0.331 0.000 1.029 1250 Q CA 0.026 55.961 55.803 0.220 0.000 0.896 1250 Q CB 0.807 29.609 28.738 0.107 0.000 1.182 1250 Q HN 0.170 nan 8.270 nan 0.000 0.385 1251 Y N 3.120 123.541 120.300 0.203 0.000 2.151 1251 Y HA -0.265 4.285 4.550 -0.000 0.000 0.284 1251 Y C 0.991 176.933 175.900 0.069 0.000 1.166 1251 Y CA 1.540 59.731 58.100 0.153 0.000 1.163 1251 Y CB 0.244 38.742 38.460 0.064 0.000 0.974 1251 Y HN 0.608 nan 8.280 nan 0.000 0.511 1252 N N 1.486 120.291 118.700 0.174 0.000 2.420 1252 N HA 0.024 4.767 4.740 0.005 0.000 0.262 1252 N C -1.879 173.610 175.510 -0.035 0.000 1.144 1252 N CA -1.943 51.132 53.050 0.042 0.000 0.952 1252 N CB 1.024 39.540 38.487 0.048 0.000 1.081 1252 N HN 0.097 nan 8.380 nan 0.000 0.480 1253 P HA -0.167 nan 4.420 nan 0.000 0.218 1253 P C 0.542 177.617 177.300 -0.375 0.000 1.148 1253 P CA 1.297 64.296 63.100 -0.168 0.000 0.822 1253 P CB 0.377 31.967 31.700 -0.183 0.000 0.784 1254 K N -0.811 119.358 120.400 -0.386 0.000 2.365 1254 K HA 0.074 4.397 4.320 0.005 0.000 0.199 1254 K C 1.952 178.444 176.600 -0.179 0.000 1.045 1254 K CA 0.833 56.895 56.287 -0.376 0.000 0.962 1254 K CB -0.502 31.845 32.500 -0.255 0.000 0.759 1254 K HN 0.363 nan 8.250 nan 0.000 0.469 1255 M N 0.174 119.711 119.600 -0.104 0.000 2.502 1255 M HA 0.049 4.532 4.480 0.005 0.000 0.243 1255 M C 0.292 176.576 176.300 -0.027 0.000 1.130 1255 M CA 0.165 55.439 55.300 -0.044 0.000 1.055 1255 M CB 0.300 32.894 32.600 -0.011 0.000 1.457 1255 M HN -0.086 nan 8.290 nan 0.000 0.488 1256 R N 1.886 122.370 120.500 -0.026 0.000 2.641 1256 R HA 0.198 4.541 4.340 0.005 0.000 0.269 1256 R C -2.244 174.044 176.300 -0.019 0.000 1.074 1256 R CA -1.432 54.666 56.100 -0.005 0.000 1.133 1256 R CB -0.227 30.100 30.300 0.045 0.000 1.029 1256 R HN -0.033 nan 8.270 nan 0.000 0.488 1257 P HA -0.010 nan 4.420 nan 0.000 0.274 1257 P C -0.501 176.751 177.300 -0.081 0.000 1.231 1257 P CA -0.292 62.776 63.100 -0.052 0.000 0.790 1257 P CB 0.966 32.622 31.700 -0.074 0.000 0.951 1258 S N 0.905 116.582 115.700 -0.039 0.000 2.608 1258 S HA 0.165 4.639 4.470 0.005 0.000 0.261 1258 S C 1.116 175.632 174.600 -0.140 0.000 1.314 1258 S CA -0.253 57.912 58.200 -0.058 0.000 0.992 1258 S CB -0.238 62.999 63.200 0.062 0.000 0.935 1258 S HN 0.237 nan 8.310 nan 0.000 0.564 1259 F N 0.304 120.253 119.950 -0.001 0.000 2.161 1259 F HA -0.002 4.531 4.527 0.010 0.000 0.300 1259 F C 2.130 177.941 175.800 0.018 0.000 1.089 1259 F CA 1.079 59.038 58.000 -0.070 0.000 1.282 1259 F CB -0.812 38.145 39.000 -0.070 0.000 1.010 1259 F HN 0.439 nan 8.300 nan 0.000 0.485 1260 L N -0.420 120.968 121.223 0.276 0.000 2.046 1260 L HA -0.226 4.117 4.340 0.005 0.000 0.208 1260 L C 2.302 179.304 176.870 0.220 0.000 1.077 1260 L CA 1.546 56.568 54.840 0.304 0.000 0.747 1260 L CB -0.662 41.550 42.059 0.256 0.000 0.896 1260 L HN 0.175 nan 8.230 nan 0.000 0.432 1261 E N 0.139 120.408 120.200 0.116 0.000 2.106 1261 E HA -0.180 4.173 4.350 0.005 0.000 0.192 1261 E C 2.293 178.901 176.600 0.013 0.000 0.984 1261 E CA 0.932 57.369 56.400 0.061 0.000 0.806 1261 E CB -0.040 29.677 29.700 0.028 0.000 0.750 1261 E HN 0.453 nan 8.360 nan 0.000 0.458 1262 I N 1.015 121.575 120.570 -0.018 0.000 2.163 1262 I HA -0.311 3.862 4.170 0.005 0.000 0.243 1262 I C 2.273 178.359 176.117 -0.052 0.000 1.085 1262 I CA 1.228 62.501 61.300 -0.044 0.000 1.347 1262 I CB -0.216 37.721 38.000 -0.104 0.000 1.044 1262 I HN 0.119 nan 8.210 nan 0.000 0.408 1263 I N -0.156 120.375 120.570 -0.064 0.000 2.226 1263 I HA -0.263 3.910 4.170 0.005 0.000 0.245 1263 I C 2.594 178.518 176.117 -0.322 0.000 1.100 1263 I CA 1.115 62.290 61.300 -0.208 0.000 1.374 1263 I CB -0.378 37.464 38.000 -0.263 0.000 1.057 1263 I HN 0.125 nan 8.210 nan 0.000 0.413 1264 S N 0.599 116.175 115.700 -0.208 0.000 2.383 1264 S HA -0.211 4.262 4.470 0.005 0.000 0.229 1264 S C 2.176 176.737 174.600 -0.065 0.000 1.030 1264 S CA 1.867 60.009 58.200 -0.098 0.000 1.002 1264 S CB -0.410 62.832 63.200 0.070 0.000 0.829 1264 S HN 0.659 nan 8.310 nan 0.000 0.467 1265 S N 1.780 117.447 115.700 -0.054 0.000 2.453 1265 S HA 0.012 4.485 4.470 0.005 0.000 0.231 1265 S C 1.506 176.075 174.600 -0.052 0.000 1.005 1265 S CA 0.898 59.075 58.200 -0.040 0.000 0.949 1265 S CB -0.647 62.533 63.200 -0.033 0.000 0.774 1265 S HN 0.750 nan 8.310 nan 0.000 0.510 1266 I N -1.573 118.948 120.570 -0.083 0.000 4.154 1266 I HA 0.364 4.537 4.170 0.005 0.000 0.334 1266 I C 1.651 177.694 176.117 -0.122 0.000 1.371 1266 I CA -0.471 60.773 61.300 -0.093 0.000 1.110 1266 I CB 0.070 38.012 38.000 -0.096 0.000 1.085 1266 I HN 0.132 nan 8.210 nan 0.000 0.398 1267 K N 1.496 121.824 120.400 -0.120 0.000 2.147 1267 K HA -0.181 4.142 4.320 0.005 0.000 0.205 1267 K C 1.703 178.312 176.600 0.015 0.000 1.049 1267 K CA 1.818 58.066 56.287 -0.066 0.000 0.936 1267 K CB -0.290 32.197 32.500 -0.022 0.000 0.722 1267 K HN 0.274 nan 8.250 nan 0.000 0.446 1268 E N 1.553 121.761 120.200 0.012 0.000 2.160 1268 E HA -0.185 4.168 4.350 0.005 0.000 0.195 1268 E C 0.934 177.531 176.600 -0.006 0.000 0.991 1268 E CA 1.546 57.959 56.400 0.021 0.000 0.810 1268 E CB 0.063 29.771 29.700 0.013 0.000 0.742 1268 E HN 0.476 nan 8.360 nan 0.000 0.466 1269 E N -0.801 119.375 120.200 -0.040 0.000 2.474 1269 E HA 0.103 4.456 4.350 0.005 0.000 0.195 1269 E C -0.290 176.259 176.600 -0.085 0.000 1.039 1269 E CA -0.035 56.333 56.400 -0.054 0.000 0.881 1269 E CB 0.190 29.855 29.700 -0.058 0.000 0.970 1269 E HN 0.193 nan 8.360 nan 0.000 0.486 1270 M N 1.759 121.288 119.600 -0.119 0.000 2.233 1270 M HA 0.090 4.573 4.480 0.005 0.000 0.350 1270 M C 0.587 176.858 176.300 -0.048 0.000 1.176 1270 M CA -0.175 55.016 55.300 -0.183 0.000 1.150 1270 M CB 0.299 32.636 32.600 -0.439 0.000 1.530 1270 M HN 0.123 nan 8.290 nan 0.000 0.459 1271 E N 3.622 123.808 120.200 -0.023 0.000 2.408 1271 E HA 0.271 4.624 4.350 0.005 0.000 0.259 1271 E C -2.421 174.217 176.600 0.064 0.000 1.110 1271 E CA -1.671 54.743 56.400 0.024 0.000 0.929 1271 E CB -0.412 29.308 29.700 0.033 0.000 0.971 1271 E HN 0.301 nan 8.360 nan 0.000 0.438 1272 P HA 0.050 nan 4.420 nan 0.000 0.264 1272 P C 0.475 177.805 177.300 0.050 0.000 1.193 1272 P CA 1.194 64.314 63.100 0.033 0.000 0.763 1272 P CB 0.727 32.436 31.700 0.015 0.000 0.810 1273 G N 2.412 111.235 108.800 0.038 0.000 2.541 1273 G HA2 -0.309 3.654 3.960 0.005 0.000 0.201 1273 G HA3 -0.309 3.654 3.960 0.005 0.000 0.201 1273 G C 0.867 175.802 174.900 0.059 0.000 1.026 1273 G CA 0.049 45.168 45.100 0.031 0.000 0.687 1273 G HN 0.465 nan 8.290 nan 0.000 0.492 1274 F N 2.506 122.449 119.950 -0.011 0.000 2.126 1274 F HA 0.094 4.626 4.527 0.007 0.000 0.299 1274 F C 2.710 178.518 175.800 0.014 0.000 1.096 1274 F CA 2.413 60.445 58.000 0.054 0.000 1.255 1274 F CB -0.152 38.901 39.000 0.089 0.000 0.997 1274 F HN 0.173 nan 8.300 nan 0.000 0.479 1275 R N 0.092 120.478 120.500 -0.189 0.000 2.127 1275 R HA -0.159 4.184 4.340 0.005 0.000 0.238 1275 R C 1.907 178.042 176.300 -0.274 0.000 1.134 1275 R CA 1.634 57.403 56.100 -0.551 0.000 0.975 1275 R CB -0.387 29.543 30.300 -0.617 0.000 0.865 1275 R HN 0.411 nan 8.270 nan 0.000 0.447 1276 E N -0.161 119.926 120.200 -0.189 0.000 2.318 1276 E HA -0.060 4.293 4.350 0.005 0.000 0.193 1276 E C 1.843 178.342 176.600 -0.169 0.000 0.998 1276 E CA 1.057 57.369 56.400 -0.146 0.000 0.859 1276 E CB 0.415 30.044 29.700 -0.117 0.000 0.812 1276 E HN 0.350 nan 8.360 nan 0.000 0.492 1277 V N -1.283 118.494 119.914 -0.228 0.000 3.604 1277 V HA 0.183 4.307 4.120 0.005 0.000 0.277 1277 V C 0.998 176.950 176.094 -0.236 0.000 1.399 1277 V CA -0.055 62.058 62.300 -0.311 0.000 1.034 1277 V CB 0.160 31.593 31.823 -0.651 0.000 0.824 1277 V HN 0.044 nan 8.190 nan 0.000 0.439 1278 S N -0.056 115.492 115.700 -0.254 0.000 2.580 1278 S HA 0.372 4.846 4.470 0.005 0.000 0.274 1278 S C 0.639 175.258 174.600 0.031 0.000 1.329 1278 S CA -0.049 58.034 58.200 -0.194 0.000 1.036 1278 S CB 1.046 63.755 63.200 -0.818 0.000 0.919 1278 S HN 0.387 nan 8.310 nan 0.000 0.515 1279 F N 2.403 122.376 119.950 0.039 0.000 2.126 1279 F HA -0.120 4.409 4.527 0.004 0.000 0.299 1279 F C 1.985 177.844 175.800 0.098 0.000 1.096 1279 F CA 1.615 59.677 58.000 0.103 0.000 1.255 1279 F CB -0.857 38.264 39.000 0.202 0.000 0.997 1279 F HN 0.848 nan 8.300 nan 0.000 0.479 1280 Y N -0.304 119.930 120.300 -0.109 0.000 2.102 1280 Y HA -0.355 4.199 4.550 0.006 0.000 0.280 1280 Y C 1.806 177.483 175.900 -0.371 0.000 1.178 1280 Y CA 2.409 60.351 58.100 -0.264 0.000 1.146 1280 Y CB -0.895 37.510 38.460 -0.090 0.000 0.968 1280 Y HN 0.170 nan 8.280 nan 0.000 0.504 1281 Y N 0.058 120.307 120.300 -0.086 0.000 2.466 1281 Y HA 0.120 4.674 4.550 0.005 0.000 0.272 1281 Y C 1.425 177.221 175.900 -0.173 0.000 1.169 1281 Y CA 0.173 58.203 58.100 -0.116 0.000 1.285 1281 Y CB -0.274 38.176 38.460 -0.017 0.000 1.078 1281 Y HN 0.044 nan 8.280 nan 0.000 0.523 1282 S N -0.451 115.187 115.700 -0.104 0.000 2.632 1282 S HA 0.063 4.536 4.470 0.005 0.000 0.267 1282 S C 1.151 175.678 174.600 -0.122 0.000 1.276 1282 S CA -0.704 57.447 58.200 -0.082 0.000 0.998 1282 S CB 1.088 64.268 63.200 -0.034 0.000 0.953 1282 S HN 0.262 nan 8.310 nan 0.000 0.547 1283 E N 0.597 120.765 120.200 -0.053 0.000 2.265 1283 E HA -0.152 4.201 4.350 0.005 0.000 0.196 1283 E C 1.624 178.200 176.600 -0.040 0.000 0.996 1283 E CA 0.842 57.215 56.400 -0.045 0.000 0.832 1283 E CB -0.192 29.503 29.700 -0.010 0.000 0.756 1283 E HN 0.873 nan 8.360 nan 0.000 0.491 1284 E N 1.202 121.399 120.200 -0.004 0.000 2.204 1284 E HA -0.132 4.222 4.350 0.005 0.000 0.194 1284 E C 0.645 177.243 176.600 -0.002 0.000 0.989 1284 E CA 0.076 56.529 56.400 0.089 0.000 0.824 1284 E CB 0.048 29.932 29.700 0.306 0.000 0.756 1284 E HN -0.033 nan 8.360 nan 0.000 0.477 1285 N N 1.416 119.909 118.700 -0.345 0.000 2.605 1285 N HA -0.007 4.736 4.740 0.005 0.000 0.258 1285 N C -1.234 174.127 175.510 -0.250 0.000 1.156 1285 N CA 0.148 52.879 53.050 -0.532 0.000 1.008 1285 N CB -0.151 37.738 38.487 -0.997 0.000 1.354 1285 N HN 0.120 nan 8.380 nan 0.000 0.509 1286 K N 0.000 120.342 120.400 -0.097 0.000 2.780 1286 K HA 0.000 4.323 4.320 0.005 0.000 0.191 1286 K CA 0.000 56.250 56.287 -0.062 0.000 0.838 1286 K CB 0.000 32.471 32.500 -0.048 0.000 1.064 1286 K HN 0.000 nan 8.250 nan 0.000 0.543