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 3f5p_1_G DATA FIRST_RESID 980 DATA SEQUENCE SFSAADVYVP DEWEVAREKI TMSRELGQGS FGMVYEGVAK GVVKDEPETR DATA SEQUENCE VAIKTVNEAA SMRERIEFLN EASVMKEFNC HHVVRLLGVV SQGQPTLVIM DATA SEQUENCE ELMTRGDLKS YLRSLRPEXX XXPVLAPPSL SKMIQMAGEI ADGMAYLNAN DATA SEQUENCE KFVHRDLAAR NCMVAEDFTV KIGDFGMTRD IXETDXXRKG GKGLLPVRWM DATA SEQUENCE SPESLKDGVF TTYSDVWSFG VVLWEIATLA EQPYQGLSNE QVLRFVMEGG DATA SEQUENCE LLDKPDNCPD MLFELMRMCW QYNPKMRPSF LEIISSIKEE MEPGFREVSF DATA SEQUENCE YYSEEN 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 980 S HA 0.000 nan 4.470 nan 0.000 0.327 980 S C 0.000 174.677 174.600 0.128 0.000 1.055 980 S CA 0.000 58.257 58.200 0.095 0.000 1.107 980 S CB 0.000 63.243 63.200 0.072 0.000 0.593 981 F N 3.621 123.581 119.950 0.015 0.000 2.411 981 F HA 0.677 5.204 4.527 0.000 0.000 0.355 981 F C 0.502 176.319 175.800 0.028 0.000 1.117 981 F CA 0.715 58.726 58.000 0.019 0.000 1.139 981 F CB 1.144 40.153 39.000 0.014 0.000 1.120 981 F HN 0.783 nan 8.300 nan 0.000 0.493 982 S N 3.493 119.028 115.700 -0.275 0.000 2.685 982 S HA 0.710 5.180 4.470 0.000 0.000 0.282 982 S C 0.542 175.026 174.600 -0.194 0.000 1.159 982 S CA -0.412 57.711 58.200 -0.129 0.000 0.833 982 S CB 1.150 64.315 63.200 -0.057 0.000 1.151 982 S HN 0.794 nan 8.310 nan 0.000 0.485 983 A N 0.957 123.758 122.820 -0.033 0.000 1.948 983 A HA 0.077 4.397 4.320 0.000 0.000 0.220 983 A C 2.316 179.940 177.584 0.067 0.000 1.177 983 A CA 2.353 54.442 52.037 0.087 0.000 0.636 983 A CB -1.742 17.269 19.000 0.019 0.000 0.815 983 A HN 1.627 nan 8.150 nan 0.000 0.449 984 A N -0.462 122.333 122.820 -0.041 0.000 2.032 984 A HA -0.226 4.094 4.320 0.000 0.000 0.221 984 A C 1.782 179.306 177.584 -0.101 0.000 1.165 984 A CA 1.817 53.820 52.037 -0.056 0.000 0.645 984 A CB -0.514 18.453 19.000 -0.056 0.000 0.807 984 A HN 0.559 nan 8.150 nan 0.000 0.453 985 D N -0.931 119.331 120.400 -0.229 0.000 2.149 985 D HA -0.081 4.559 4.640 0.000 0.000 0.201 985 D C 1.956 178.116 176.300 -0.233 0.000 0.972 985 D CA 1.748 55.553 54.000 -0.324 0.000 0.835 985 D CB 0.178 40.520 40.800 -0.765 0.000 0.966 985 D HN 0.402 nan 8.370 nan 0.000 0.476 986 V N -1.211 118.570 119.914 -0.222 0.000 3.379 986 V HA -0.004 4.116 4.120 0.000 0.000 0.249 986 V C 1.270 177.205 176.094 -0.265 0.000 1.184 986 V CA 0.376 62.539 62.300 -0.228 0.000 1.106 986 V CB -0.318 31.339 31.823 -0.277 0.000 0.826 986 V HN 0.001 nan 8.190 nan 0.000 0.465 987 Y N 1.585 121.819 120.300 -0.108 0.000 2.490 987 Y HA 0.381 4.931 4.550 0.000 0.000 0.281 987 Y C 0.919 176.739 175.900 -0.134 0.000 1.174 987 Y CA 0.728 58.760 58.100 -0.113 0.000 1.295 987 Y CB 0.430 38.812 38.460 -0.130 0.000 1.062 987 Y HN 0.288 nan 8.280 nan 0.000 0.522 988 V N -1.839 118.073 119.914 -0.003 0.000 2.409 988 V HA 0.572 4.692 4.120 0.000 0.000 0.291 988 V C -2.849 173.257 176.094 0.020 0.000 1.020 988 V CA -3.231 59.049 62.300 -0.034 0.000 0.848 988 V CB 1.349 33.144 31.823 -0.046 0.000 0.990 988 V HN -0.188 nan 8.190 nan 0.000 0.430 989 P HA 0.144 nan 4.420 nan 0.000 0.262 989 P C 0.330 177.729 177.300 0.164 0.000 1.182 989 P CA 0.207 63.393 63.100 0.142 0.000 0.761 989 P CB 0.456 32.323 31.700 0.278 0.000 0.795 990 D N 2.103 122.550 120.400 0.078 0.000 2.389 990 D HA -0.141 4.499 4.640 0.000 0.000 0.221 990 D C 1.064 177.383 176.300 0.032 0.000 0.974 990 D CA 0.871 54.900 54.000 0.048 0.000 0.923 990 D CB 0.137 40.948 40.800 0.018 0.000 0.892 990 D HN 0.603 nan 8.370 nan 0.000 0.518 991 E N -1.124 119.095 120.200 0.031 0.000 2.476 991 E HA -0.072 4.278 4.350 0.000 0.000 0.191 991 E C 0.719 177.108 176.600 -0.352 0.000 1.064 991 E CA 0.021 56.338 56.400 -0.138 0.000 0.866 991 E CB -0.229 29.361 29.700 -0.185 0.000 0.952 991 E HN 0.403 nan 8.360 nan 0.000 0.492 992 W N 1.603 122.878 121.300 -0.043 0.000 2.862 992 W HA 0.282 4.942 4.660 0.000 0.000 0.376 992 W C 0.669 177.162 176.519 -0.042 0.000 1.028 992 W CA -0.617 56.700 57.345 -0.047 0.000 1.757 992 W CB 0.698 30.120 29.460 -0.063 0.000 1.128 992 W HN -0.110 nan 8.180 nan 0.000 0.566 993 E N 1.421 121.685 120.200 0.107 0.000 2.390 993 E HA 0.288 4.638 4.350 0.000 0.000 0.261 993 E C -0.469 176.147 176.600 0.028 0.000 1.076 993 E CA 0.082 56.518 56.400 0.059 0.000 0.905 993 E CB 1.947 31.666 29.700 0.031 0.000 0.984 993 E HN -0.123 nan 8.360 nan 0.000 0.427 994 V N 0.490 120.420 119.914 0.026 0.000 2.817 994 V HA 0.577 4.697 4.120 0.000 0.000 0.303 994 V C -1.001 175.099 176.094 0.010 0.000 1.151 994 V CA -0.563 61.745 62.300 0.013 0.000 0.929 994 V CB 1.574 33.409 31.823 0.020 0.000 1.030 994 V HN 0.742 nan 8.190 nan 0.000 0.427 995 A N 5.979 128.801 122.820 0.003 0.000 2.488 995 A HA 0.426 4.746 4.320 0.000 0.000 0.249 995 A C 1.204 178.789 177.584 0.001 0.000 1.083 995 A CA 0.359 52.397 52.037 0.001 0.000 0.768 995 A CB 0.057 19.056 19.000 -0.002 0.000 1.017 995 A HN 1.429 nan 8.150 nan 0.000 0.496 996 R N 1.672 122.172 120.500 0.000 0.000 2.357 996 R HA -0.080 4.260 4.340 0.000 0.000 0.202 996 R C 0.312 176.607 176.300 -0.008 0.000 1.047 996 R CA 1.335 57.433 56.100 -0.003 0.000 1.034 996 R CB 0.016 30.312 30.300 -0.006 0.000 0.875 996 R HN 0.720 nan 8.270 nan 0.000 0.473 997 E N 1.928 122.124 120.200 -0.006 0.000 2.152 997 E HA -0.115 4.235 4.350 0.000 0.000 0.192 997 E C 1.296 177.892 176.600 -0.007 0.000 0.983 997 E CA 0.808 57.203 56.400 -0.007 0.000 0.818 997 E CB -0.158 29.538 29.700 -0.006 0.000 0.758 997 E HN 0.403 nan 8.360 nan 0.000 0.467 998 K N 0.408 120.805 120.400 -0.004 0.000 2.209 998 K HA -0.006 4.314 4.320 0.000 0.000 0.204 998 K C 0.996 177.595 176.600 -0.002 0.000 1.048 998 K CA 0.518 56.803 56.287 -0.003 0.000 0.940 998 K CB 0.169 32.668 32.500 -0.001 0.000 0.729 998 K HN 0.144 nan 8.250 nan 0.000 0.451 999 I N 1.382 121.950 120.570 -0.003 0.000 2.428 999 I HA 0.107 4.277 4.170 0.000 0.000 0.296 999 I C 0.409 176.518 176.117 -0.014 0.000 0.985 999 I CA -0.249 61.050 61.300 -0.003 0.000 1.260 999 I CB 1.455 39.455 38.000 0.000 0.000 1.389 999 I HN -0.096 nan 8.210 nan 0.000 0.484 1000 T N 6.416 120.962 114.554 -0.014 0.000 2.991 1000 T HA 0.573 4.923 4.350 0.000 0.000 0.303 1000 T C -0.701 173.984 174.700 -0.026 0.000 1.015 1000 T CA -0.751 61.334 62.100 -0.025 0.000 1.007 1000 T CB 0.866 69.725 68.868 -0.016 0.000 1.034 1000 T HN 0.415 nan 8.240 nan 0.000 0.446 1001 M N 3.695 123.259 119.600 -0.060 0.000 2.277 1001 M HA 0.416 4.896 4.480 0.000 0.000 0.350 1001 M C 0.661 176.950 176.300 -0.019 0.000 1.180 1001 M CA -0.714 54.549 55.300 -0.062 0.000 1.103 1001 M CB 1.724 34.183 32.600 -0.235 0.000 1.577 1001 M HN 0.685 nan 8.290 nan 0.000 0.459 1002 S N 1.232 116.958 115.700 0.043 0.000 2.811 1002 S HA 0.227 4.697 4.470 0.000 0.000 0.237 1002 S C 0.106 174.759 174.600 0.088 0.000 1.038 1002 S CA 0.023 58.253 58.200 0.050 0.000 0.881 1002 S CB 0.505 63.731 63.200 0.043 0.000 0.815 1002 S HN 0.795 nan 8.310 nan 0.000 0.582 1003 R N 1.349 121.929 120.500 0.134 0.000 2.626 1003 R HA 0.509 4.849 4.340 0.000 0.000 0.274 1003 R C -1.636 174.761 176.300 0.162 0.000 1.031 1003 R CA -0.696 55.488 56.100 0.140 0.000 0.898 1003 R CB 1.114 31.456 30.300 0.071 0.000 1.222 1003 R HN -0.030 nan 8.270 nan 0.000 0.455 1004 E N 1.892 122.157 120.200 0.110 0.000 2.459 1004 E HA -0.070 4.280 4.350 0.000 0.000 0.264 1004 E C 0.073 176.610 176.600 -0.105 0.000 1.055 1004 E CA 0.258 56.569 56.400 -0.149 0.000 0.957 1004 E CB 0.766 30.342 29.700 -0.207 0.000 0.952 1004 E HN 0.512 nan 8.360 nan 0.000 0.448 1005 L N 0.552 121.676 121.223 -0.166 0.000 2.433 1005 L HA 0.311 4.651 4.340 0.000 0.000 0.200 1005 L C 0.993 177.800 176.870 -0.105 0.000 1.059 1005 L CA 0.498 55.283 54.840 -0.092 0.000 0.835 1005 L CB 0.414 42.438 42.059 -0.058 0.000 1.076 1005 L HN 0.712 nan 8.230 nan 0.000 0.481 1006 G N -0.816 107.891 108.800 -0.154 0.000 2.322 1006 G HA2 0.238 4.198 3.960 0.000 0.000 0.295 1006 G HA3 0.238 4.198 3.960 0.000 0.000 0.295 1006 G C -2.039 172.772 174.900 -0.148 0.000 1.369 1006 G CA -0.563 44.462 45.100 -0.125 0.000 0.821 1006 G HN -0.156 nan 8.290 nan 0.000 0.536 1007 Q N -0.494 119.238 119.800 -0.113 0.000 2.327 1007 Q HA 0.611 4.951 4.340 0.000 0.000 0.254 1007 Q C 0.410 176.352 176.000 -0.097 0.000 0.952 1007 Q CA 0.696 56.434 55.803 -0.109 0.000 0.884 1007 Q CB 1.209 29.893 28.738 -0.090 0.000 1.224 1007 Q HN 1.071 nan 8.270 nan 0.000 0.422 1008 G N 0.596 109.337 108.800 -0.098 0.000 2.569 1008 G HA2 0.388 4.348 3.960 0.000 0.000 0.300 1008 G HA3 0.388 4.348 3.960 0.000 0.000 0.300 1008 G C 0.401 175.220 174.900 -0.134 0.000 1.269 1008 G CA -0.223 44.825 45.100 -0.087 0.000 0.959 1008 G HN 0.782 nan 8.290 nan 0.000 0.478 1009 S N -0.069 115.532 115.700 -0.164 0.000 2.390 1009 S HA -0.248 4.222 4.470 0.000 0.000 0.234 1009 S C 1.510 175.786 174.600 -0.539 0.000 1.063 1009 S CA 1.982 59.958 58.200 -0.372 0.000 1.108 1009 S CB -0.462 62.474 63.200 -0.439 0.000 0.975 1009 S HN 0.413 nan 8.310 nan 0.000 0.442 1010 F N 1.942 121.727 119.950 -0.274 0.000 2.678 1010 F HA 0.576 5.103 4.527 0.000 0.000 0.305 1010 F C 1.441 177.053 175.800 -0.313 0.000 1.090 1010 F CA 0.091 57.868 58.000 -0.372 0.000 1.272 1010 F CB 1.009 39.547 39.000 -0.770 0.000 1.060 1010 F HN 0.613 nan 8.300 nan 0.000 0.576 1011 G N -0.073 108.665 108.800 -0.103 0.000 2.356 1011 G HA2 0.360 4.320 3.960 0.000 0.000 0.281 1011 G HA3 0.360 4.320 3.960 0.000 0.000 0.281 1011 G C -1.829 173.033 174.900 -0.064 0.000 1.246 1011 G CA -0.945 44.113 45.100 -0.070 0.000 0.889 1011 G HN -0.128 nan 8.290 nan 0.000 0.486 1012 M N 1.262 120.845 119.600 -0.028 0.000 2.238 1012 M HA 0.693 5.173 4.480 0.000 0.000 0.350 1012 M C -0.587 175.624 176.300 -0.147 0.000 1.138 1012 M CA -0.584 54.643 55.300 -0.122 0.000 1.040 1012 M CB 1.589 34.102 32.600 -0.145 0.000 1.639 1012 M HN 0.373 nan 8.290 nan 0.000 0.451 1013 V N 6.765 126.538 119.914 -0.234 0.000 2.465 1013 V HA 0.390 4.510 4.120 0.000 0.000 0.279 1013 V C -0.814 175.091 176.094 -0.316 0.000 1.045 1013 V CA -0.350 61.869 62.300 -0.136 0.000 0.938 1013 V CB 0.265 32.048 31.823 -0.067 0.000 0.986 1013 V HN 0.811 nan 8.190 nan 0.000 0.467 1014 Y N 1.483 121.791 120.300 0.014 0.000 2.549 1014 Y HA 0.533 5.083 4.550 0.000 0.000 0.339 1014 Y C 0.334 176.242 175.900 0.013 0.000 1.053 1014 Y CA -0.863 57.244 58.100 0.011 0.000 1.105 1014 Y CB 1.550 40.017 38.460 0.011 0.000 1.258 1014 Y HN 0.574 nan 8.280 nan 0.000 0.478 1015 E N 0.504 120.805 120.200 0.168 0.000 2.248 1015 E HA 0.666 5.016 4.350 0.000 0.000 0.272 1015 E C -0.405 176.254 176.600 0.098 0.000 1.008 1015 E CA -0.350 56.110 56.400 0.100 0.000 0.856 1015 E CB 1.464 31.201 29.700 0.061 0.000 1.120 1015 E HN 0.900 nan 8.360 nan 0.000 0.397 1016 G N 0.784 109.623 108.800 0.064 0.000 2.341 1016 G HA2 0.338 4.298 3.960 0.000 0.000 0.299 1016 G HA3 0.338 4.298 3.960 0.000 0.000 0.299 1016 G C -1.624 173.294 174.900 0.031 0.000 1.274 1016 G CA -0.467 44.660 45.100 0.045 0.000 0.853 1016 G HN 0.432 nan 8.290 nan 0.000 0.493 1017 V N 0.220 120.147 119.914 0.021 0.000 2.588 1017 V HA 0.772 4.892 4.120 0.000 0.000 0.304 1017 V C 0.203 176.305 176.094 0.014 0.000 1.042 1017 V CA -0.331 61.978 62.300 0.016 0.000 0.877 1017 V CB 1.326 33.155 31.823 0.011 0.000 0.996 1017 V HN 1.582 nan 8.190 nan 0.000 0.425 1018 A N 4.094 126.923 122.820 0.015 0.000 2.267 1018 A HA 0.672 4.992 4.320 0.000 0.000 0.315 1018 A C -0.191 177.397 177.584 0.007 0.000 1.297 1018 A CA -0.658 51.386 52.037 0.013 0.000 0.865 1018 A CB 0.429 19.441 19.000 0.020 0.000 1.165 1018 A HN 0.813 nan 8.150 nan 0.000 0.513 1019 K N 1.354 121.756 120.400 0.003 0.000 2.276 1019 K HA 0.439 4.759 4.320 0.000 0.000 0.283 1019 K C 0.979 177.577 176.600 -0.003 0.000 1.044 1019 K CA 0.943 57.230 56.287 -0.000 0.000 0.944 1019 K CB 0.804 33.303 32.500 -0.002 0.000 1.012 1019 K HN 1.368 nan 8.250 nan 0.000 0.472 1020 G N 1.876 110.673 108.800 -0.005 0.000 2.350 1020 G HA2 -0.219 3.741 3.960 0.000 0.000 0.298 1020 G HA3 -0.219 3.741 3.960 0.000 0.000 0.298 1020 G C 0.349 175.240 174.900 -0.014 0.000 1.037 1020 G CA 0.550 45.644 45.100 -0.011 0.000 1.074 1020 G HN 0.613 nan 8.290 nan 0.000 0.511 1021 V N -3.794 116.114 119.914 -0.010 0.000 3.548 1021 V HA 0.599 4.719 4.120 0.000 0.000 0.279 1021 V C 0.617 176.703 176.094 -0.014 0.000 1.446 1021 V CA 0.684 62.977 62.300 -0.011 0.000 1.023 1021 V CB 0.928 32.753 31.823 0.004 0.000 0.820 1021 V HN 0.559 nan 8.190 nan 0.000 0.438 1022 V N 2.667 122.575 119.914 -0.009 0.000 2.409 1022 V HA 0.502 4.622 4.120 0.000 0.000 0.291 1022 V C -0.257 175.828 176.094 -0.014 0.000 1.020 1022 V CA -1.050 61.245 62.300 -0.008 0.000 0.848 1022 V CB 1.468 33.292 31.823 0.003 0.000 0.990 1022 V HN 0.466 nan 8.190 nan 0.000 0.430 1023 K N 4.078 124.465 120.400 -0.021 0.000 2.504 1023 K HA 0.035 4.355 4.320 0.000 0.000 0.278 1023 K C 0.502 177.093 176.600 -0.016 0.000 1.025 1023 K CA 0.629 56.902 56.287 -0.023 0.000 1.093 1023 K CB -0.293 32.191 32.500 -0.027 0.000 0.873 1023 K HN 0.732 nan 8.250 nan 0.000 0.483 1024 D N 1.065 121.455 120.400 -0.015 0.000 3.041 1024 D HA -0.178 4.462 4.640 0.000 0.000 0.220 1024 D C -0.832 175.464 176.300 -0.008 0.000 1.157 1024 D CA 0.998 54.991 54.000 -0.012 0.000 0.876 1024 D CB -0.620 40.173 40.800 -0.012 0.000 1.107 1024 D HN 0.704 nan 8.370 nan 0.000 0.422 1025 E N -0.114 120.081 120.200 -0.008 0.000 2.255 1025 E HA 0.153 4.503 4.350 0.000 0.000 0.256 1025 E C -1.663 174.934 176.600 -0.005 0.000 0.887 1025 E CA -1.550 54.848 56.400 -0.004 0.000 0.782 1025 E CB 2.256 31.955 29.700 -0.001 0.000 1.214 1025 E HN -0.098 nan 8.360 nan 0.000 0.417 1026 P HA -0.150 nan 4.420 nan 0.000 0.216 1026 P C -0.319 176.980 177.300 -0.002 0.000 1.150 1026 P CA 1.291 64.389 63.100 -0.004 0.000 0.837 1026 P CB 0.649 32.347 31.700 -0.003 0.000 0.786 1027 E N -1.640 118.560 120.200 0.000 0.000 2.408 1027 E HA 0.531 4.881 4.350 0.000 0.000 0.275 1027 E C -0.909 175.694 176.600 0.005 0.000 0.935 1027 E CA -0.677 55.725 56.400 0.002 0.000 0.775 1027 E CB 2.186 31.888 29.700 0.003 0.000 1.277 1027 E HN -0.231 nan 8.360 nan 0.000 0.455 1028 T N 0.852 115.410 114.554 0.008 0.000 2.916 1028 T HA 0.392 4.742 4.350 0.000 0.000 0.305 1028 T C -0.653 174.055 174.700 0.013 0.000 1.119 1028 T CA -0.893 61.213 62.100 0.010 0.000 1.008 1028 T CB 1.399 70.275 68.868 0.013 0.000 1.129 1028 T HN 0.236 nan 8.240 nan 0.000 0.480 1029 R N 1.402 121.909 120.500 0.013 0.000 2.308 1029 R HA 0.665 5.005 4.340 0.000 0.000 0.305 1029 R C -0.226 176.086 176.300 0.021 0.000 1.053 1029 R CA -0.570 55.539 56.100 0.015 0.000 0.957 1029 R CB 0.881 31.186 30.300 0.009 0.000 1.022 1029 R HN 0.526 nan 8.270 nan 0.000 0.461 1030 V N -1.045 118.887 119.914 0.029 0.000 3.114 1030 V HA 0.851 4.971 4.120 0.000 0.000 0.308 1030 V C -0.639 175.485 176.094 0.050 0.000 1.168 1030 V CA -1.274 61.049 62.300 0.038 0.000 1.015 1030 V CB 1.995 33.843 31.823 0.043 0.000 1.050 1030 V HN 0.800 nan 8.190 nan 0.000 0.433 1031 A N 3.548 126.401 122.820 0.056 0.000 2.309 1031 A HA 0.859 5.179 4.320 0.000 0.000 0.298 1031 A C -0.482 177.158 177.584 0.094 0.000 1.165 1031 A CA -0.583 51.496 52.037 0.071 0.000 0.821 1031 A CB 0.375 19.410 19.000 0.058 0.000 1.102 1031 A HN 0.833 nan 8.150 nan 0.000 0.500 1032 I N 1.942 122.590 120.570 0.130 0.000 2.436 1032 I HA 0.394 4.564 4.170 0.000 0.000 0.289 1032 I C 0.067 176.308 176.117 0.208 0.000 1.010 1032 I CA -0.452 60.940 61.300 0.153 0.000 1.098 1032 I CB 1.433 39.517 38.000 0.140 0.000 1.266 1032 I HN 0.800 nan 8.210 nan 0.000 0.434 1033 K N 4.477 124.986 120.400 0.181 0.000 2.138 1033 K HA 0.618 4.938 4.320 0.000 0.000 0.263 1033 K C -0.391 176.316 176.600 0.179 0.000 0.965 1033 K CA -0.288 56.106 56.287 0.178 0.000 0.868 1033 K CB 1.447 34.039 32.500 0.153 0.000 1.083 1033 K HN 0.759 nan 8.250 nan 0.000 0.443 1034 T N 0.056 114.718 114.554 0.180 0.000 2.770 1034 T HA 0.375 4.725 4.350 0.000 0.000 0.283 1034 T C -0.397 174.333 174.700 0.050 0.000 0.988 1034 T CA -0.871 61.305 62.100 0.127 0.000 0.957 1034 T CB 1.089 70.049 68.868 0.154 0.000 0.930 1034 T HN 0.197 nan 8.240 nan 0.000 0.443 1035 V N 6.023 125.950 119.914 0.021 0.000 2.364 1035 V HA 0.332 4.452 4.120 0.000 0.000 0.272 1035 V C 1.074 177.174 176.094 0.009 0.000 1.036 1035 V CA -1.159 61.121 62.300 -0.033 0.000 0.880 1035 V CB 0.126 31.921 31.823 -0.046 0.000 0.991 1035 V HN 1.024 nan 8.190 nan 0.000 0.460 1036 N N 3.185 121.890 118.700 0.008 0.000 2.347 1036 N HA 0.103 4.843 4.740 0.000 0.000 0.253 1036 N C 0.704 176.222 175.510 0.015 0.000 1.274 1036 N CA -0.437 52.623 53.050 0.017 0.000 0.941 1036 N CB 1.703 40.202 38.487 0.019 0.000 1.200 1036 N HN 0.576 nan 8.380 nan 0.000 0.514 1037 E N 0.345 120.555 120.200 0.016 0.000 2.047 1037 E HA -0.034 4.316 4.350 0.000 0.000 0.191 1037 E C 1.170 177.779 176.600 0.016 0.000 0.987 1037 E CA 1.317 57.727 56.400 0.016 0.000 0.799 1037 E CB -0.486 29.224 29.700 0.016 0.000 0.752 1037 E HN 0.737 nan 8.360 nan 0.000 0.449 1038 A N 0.114 122.943 122.820 0.014 0.000 2.088 1038 A HA 0.289 4.609 4.320 0.000 0.000 0.218 1038 A C 0.217 177.809 177.584 0.013 0.000 1.420 1038 A CA 0.783 52.828 52.037 0.013 0.000 1.371 1038 A CB -0.990 18.016 19.000 0.011 0.000 0.788 1038 A HN 0.202 nan 8.150 nan 0.000 0.575 1039 A N 0.580 123.410 122.820 0.016 0.000 2.330 1039 A HA 0.628 4.948 4.320 0.000 0.000 0.313 1039 A C 0.529 178.126 177.584 0.022 0.000 1.124 1039 A CA -0.029 52.021 52.037 0.021 0.000 0.774 1039 A CB 0.575 19.588 19.000 0.021 0.000 1.198 1039 A HN 0.953 nan 8.150 nan 0.000 0.465 1040 S N 2.718 118.434 115.700 0.026 0.000 2.566 1040 S HA 0.100 4.570 4.470 0.000 0.000 0.280 1040 S C 1.256 175.864 174.600 0.014 0.000 1.343 1040 S CA 0.153 58.365 58.200 0.021 0.000 1.036 1040 S CB 0.251 63.465 63.200 0.023 0.000 0.866 1040 S HN 0.789 nan 8.310 nan 0.000 0.526 1041 M N 1.092 120.697 119.600 0.010 0.000 2.108 1041 M HA -0.152 4.328 4.480 0.000 0.000 0.261 1041 M C 2.525 178.805 176.300 -0.033 0.000 1.066 1041 M CA 1.477 56.774 55.300 -0.005 0.000 1.107 1041 M CB -0.254 32.354 32.600 0.013 0.000 1.356 1041 M HN 0.769 nan 8.290 nan 0.000 0.406 1042 R N 0.118 120.609 120.500 -0.015 0.000 2.103 1042 R HA -0.190 4.150 4.340 0.000 0.000 0.234 1042 R C 2.046 178.337 176.300 -0.015 0.000 1.132 1042 R CA 1.868 57.956 56.100 -0.020 0.000 0.925 1042 R CB -0.819 29.485 30.300 0.007 0.000 0.842 1042 R HN 0.480 nan 8.270 nan 0.000 0.430 1043 E N 0.189 120.408 120.200 0.032 0.000 2.086 1043 E HA -0.268 4.082 4.350 0.000 0.000 0.205 1043 E C 2.041 178.645 176.600 0.006 0.000 1.027 1043 E CA 1.366 57.822 56.400 0.094 0.000 0.830 1043 E CB -0.238 29.536 29.700 0.124 0.000 0.751 1043 E HN 0.254 nan 8.360 nan 0.000 0.456 1044 R N 0.300 120.781 120.500 -0.033 0.000 2.115 1044 R HA -0.045 4.295 4.340 0.000 0.000 0.230 1044 R C 2.468 178.665 176.300 -0.172 0.000 1.111 1044 R CA 0.658 56.723 56.100 -0.059 0.000 0.976 1044 R CB -0.057 30.228 30.300 -0.025 0.000 0.870 1044 R HN 0.179 nan 8.270 nan 0.000 0.445 1045 I N 0.181 120.606 120.570 -0.241 0.000 2.353 1045 I HA -0.191 3.979 4.170 0.000 0.000 0.248 1045 I C 2.348 178.241 176.117 -0.373 0.000 1.119 1045 I CA 1.024 62.048 61.300 -0.460 0.000 1.417 1045 I CB -0.442 37.227 38.000 -0.553 0.000 1.078 1045 I HN 0.313 nan 8.210 nan 0.000 0.421 1046 E N 1.097 121.168 120.200 -0.215 0.000 2.031 1046 E HA -0.257 4.093 4.350 0.000 0.000 0.193 1046 E C 2.183 178.652 176.600 -0.219 0.000 0.994 1046 E CA 1.428 57.747 56.400 -0.135 0.000 0.800 1046 E CB -0.174 29.541 29.700 0.024 0.000 0.752 1046 E HN 0.351 nan 8.360 nan 0.000 0.447 1047 F N 1.361 120.933 119.950 -0.630 0.000 2.154 1047 F HA -0.239 4.288 4.527 0.000 0.000 0.301 1047 F C 1.939 177.406 175.800 -0.555 0.000 1.087 1047 F CA 0.993 58.335 58.000 -1.097 0.000 1.274 1047 F CB -0.291 37.616 39.000 -1.821 0.000 1.009 1047 F HN 0.044 nan 8.300 nan 0.000 0.485 1048 L N 0.515 121.330 121.223 -0.682 0.000 2.156 1048 L HA -0.133 4.207 4.340 0.000 0.000 0.208 1048 L C 2.055 178.649 176.870 -0.461 0.000 1.095 1048 L CA 1.627 56.085 54.840 -0.637 0.000 0.770 1048 L CB -1.547 40.268 42.059 -0.406 0.000 0.914 1048 L HN 0.221 nan 8.230 nan 0.000 0.439 1049 N N -1.081 117.406 118.700 -0.354 0.000 2.216 1049 N HA -0.186 4.554 4.740 0.000 0.000 0.183 1049 N C 1.726 177.092 175.510 -0.239 0.000 1.017 1049 N CA 0.744 53.648 53.050 -0.243 0.000 0.861 1049 N CB 0.110 38.495 38.487 -0.170 0.000 0.986 1049 N HN 0.390 nan 8.380 nan 0.000 0.428 1050 E N 1.030 121.093 120.200 -0.228 0.000 2.051 1050 E HA -0.173 4.177 4.350 0.000 0.000 0.192 1050 E C 1.828 178.274 176.600 -0.257 0.000 0.991 1050 E CA 1.130 57.432 56.400 -0.164 0.000 0.799 1050 E CB -0.040 29.647 29.700 -0.022 0.000 0.748 1050 E HN 0.365 nan 8.360 nan 0.000 0.449 1051 A N 0.176 122.763 122.820 -0.388 0.000 2.067 1051 A HA -0.098 4.222 4.320 0.000 0.000 0.219 1051 A C 2.274 179.565 177.584 -0.489 0.000 1.158 1051 A CA 1.411 53.188 52.037 -0.434 0.000 0.661 1051 A CB -0.333 18.322 19.000 -0.574 0.000 0.801 1051 A HN 0.243 nan 8.150 nan 0.000 0.452 1052 S N -0.524 114.909 115.700 -0.446 0.000 2.383 1052 S HA -0.101 4.369 4.470 0.000 0.000 0.227 1052 S C 1.870 176.172 174.600 -0.497 0.000 1.026 1052 S CA 1.398 59.325 58.200 -0.455 0.000 0.981 1052 S CB -0.283 62.733 63.200 -0.305 0.000 0.818 1052 S HN 0.428 nan 8.310 nan 0.000 0.472 1053 V N 1.953 121.576 119.914 -0.484 0.000 2.427 1053 V HA -0.147 3.973 4.120 0.000 0.000 0.248 1053 V C 2.374 177.826 176.094 -1.071 0.000 1.051 1053 V CA 1.090 62.988 62.300 -0.670 0.000 1.048 1053 V CB -0.703 30.767 31.823 -0.588 0.000 0.666 1053 V HN 0.424 nan 8.190 nan 0.000 0.456 1054 M N 1.378 120.486 119.600 -0.820 0.000 2.103 1054 M HA -0.289 4.191 4.480 0.000 0.000 0.255 1054 M C 2.290 178.163 176.300 -0.711 0.000 1.074 1054 M CA 2.576 57.441 55.300 -0.724 0.000 1.090 1054 M CB -1.121 31.241 32.600 -0.396 0.000 1.325 1054 M HN 0.631 nan 8.290 nan 0.000 0.403 1055 K N 0.054 119.998 120.400 -0.759 0.000 2.147 1055 K HA -0.164 4.157 4.320 0.000 0.000 0.205 1055 K C 1.692 178.130 176.600 -0.270 0.000 1.049 1055 K CA 1.734 57.553 56.287 -0.781 0.000 0.936 1055 K CB -0.626 30.840 32.500 -1.722 0.000 0.722 1055 K HN 0.452 nan 8.250 nan 0.000 0.446 1056 E N 0.542 120.485 120.200 -0.428 0.000 2.058 1056 E HA -0.137 4.213 4.350 0.000 0.000 0.194 1056 E C -0.360 176.265 176.600 0.043 0.000 0.997 1056 E CA 0.668 56.942 56.400 -0.210 0.000 0.801 1056 E CB -0.026 29.479 29.700 -0.324 0.000 0.746 1056 E HN 0.279 nan 8.360 nan 0.000 0.450 1057 F N 1.171 121.099 119.950 -0.036 0.000 2.472 1057 F HA 0.247 4.774 4.527 0.000 0.000 0.364 1057 F C 0.088 175.931 175.800 0.071 0.000 1.090 1057 F CA -0.574 57.489 58.000 0.105 0.000 1.188 1057 F CB 0.235 39.186 39.000 -0.080 0.000 1.105 1057 F HN -0.060 nan 8.300 nan 0.000 0.536 1058 N N 2.389 121.248 118.700 0.265 0.000 2.791 1058 N HA 0.286 5.026 4.740 0.000 0.000 0.265 1058 N C -1.593 173.808 175.510 -0.182 0.000 1.580 1058 N CA -0.091 53.002 53.050 0.073 0.000 0.809 1058 N CB 0.463 39.035 38.487 0.141 0.000 1.178 1058 N HN 0.668 nan 8.380 nan 0.000 0.499 1059 C N 1.035 120.103 119.300 -0.387 0.000 2.493 1059 C HA 0.413 4.873 4.460 0.000 0.000 0.326 1059 C C 1.863 176.712 174.990 -0.235 0.000 1.200 1059 C CA -0.466 58.229 59.018 -0.539 0.000 1.739 1059 C CB 0.854 27.958 27.740 -1.060 0.000 2.300 1059 C HN 0.856 nan 8.230 nan 0.000 0.500 1060 H N 0.970 119.854 119.070 -0.310 0.000 2.456 1060 H HA -0.000 4.556 4.556 0.000 0.000 0.296 1060 H C 1.019 176.096 175.328 -0.417 0.000 1.079 1060 H CA 2.162 57.983 56.048 -0.377 0.000 1.322 1060 H CB -0.082 29.376 29.762 -0.507 0.000 1.388 1060 H HN 0.860 nan 8.280 nan 0.000 0.538 1061 H N -1.231 117.774 119.070 -0.108 0.000 2.507 1061 H HA 0.363 4.919 4.556 0.000 0.000 0.294 1061 H C -0.676 174.616 175.328 -0.061 0.000 1.064 1061 H CA -0.194 55.795 56.048 -0.098 0.000 1.138 1061 H CB 0.624 30.402 29.762 0.026 0.000 1.515 1061 H HN -0.000 nan 8.280 nan 0.000 0.547 1062 V N 1.519 121.426 119.914 -0.011 0.000 2.531 1062 V HA 0.119 4.239 4.120 0.000 0.000 0.301 1062 V C 0.091 176.236 176.094 0.086 0.000 1.034 1062 V CA -1.134 61.221 62.300 0.092 0.000 0.865 1062 V CB 2.247 34.128 31.823 0.098 0.000 0.995 1062 V HN 0.023 nan 8.190 nan 0.000 0.424 1063 V N 5.166 125.157 119.914 0.128 0.000 2.509 1063 V HA 0.074 4.194 4.120 0.000 0.000 0.297 1063 V C 0.619 176.796 176.094 0.138 0.000 1.014 1063 V CA 0.310 62.668 62.300 0.097 0.000 1.127 1063 V CB 0.106 31.979 31.823 0.083 0.000 0.925 1063 V HN 0.863 nan 8.190 nan 0.000 0.480 1064 R N 4.270 124.823 120.500 0.088 0.000 2.368 1064 R HA 0.562 4.902 4.340 0.000 0.000 0.302 1064 R C -0.598 175.762 176.300 0.100 0.000 1.002 1064 R CA -0.754 55.406 56.100 0.099 0.000 0.929 1064 R CB 1.125 31.473 30.300 0.081 0.000 1.073 1064 R HN 0.735 nan 8.270 nan 0.000 0.464 1065 L N 5.785 127.068 121.223 0.100 0.000 2.313 1065 L HA 0.194 4.534 4.340 0.000 0.000 0.282 1065 L C 0.158 177.151 176.870 0.206 0.000 1.092 1065 L CA -0.045 54.853 54.840 0.097 0.000 0.831 1065 L CB 0.707 42.749 42.059 -0.028 0.000 1.159 1065 L HN 0.842 nan 8.230 nan 0.000 0.442 1066 L N 5.120 126.440 121.223 0.163 0.000 2.477 1066 L HA 0.438 4.778 4.340 0.000 0.000 0.220 1066 L C 0.889 177.875 176.870 0.193 0.000 1.106 1066 L CA 0.432 55.365 54.840 0.155 0.000 0.851 1066 L CB -0.261 41.851 42.059 0.088 0.000 0.994 1066 L HN 0.869 nan 8.230 nan 0.000 0.462 1067 G N -0.339 108.598 108.800 0.229 0.000 2.353 1067 G HA2 0.231 4.191 3.960 0.000 0.000 0.308 1067 G HA3 0.231 4.191 3.960 0.000 0.000 0.308 1067 G C -1.973 173.008 174.900 0.135 0.000 1.418 1067 G CA -0.141 45.106 45.100 0.246 0.000 0.966 1067 G HN -0.163 nan 8.290 nan 0.000 0.638 1068 V N -0.156 119.829 119.914 0.117 0.000 2.577 1068 V HA 0.726 4.846 4.120 0.000 0.000 0.303 1068 V C -0.192 175.930 176.094 0.048 0.000 1.042 1068 V CA -0.766 61.566 62.300 0.054 0.000 0.872 1068 V CB 1.579 33.393 31.823 -0.014 0.000 0.998 1068 V HN 1.280 nan 8.190 nan 0.000 0.423 1069 V N 6.941 126.879 119.914 0.039 0.000 2.421 1069 V HA 0.211 4.331 4.120 0.000 0.000 0.271 1069 V C 1.498 177.601 176.094 0.015 0.000 1.031 1069 V CA 0.962 63.277 62.300 0.026 0.000 1.032 1069 V CB 0.348 32.183 31.823 0.021 0.000 1.009 1069 V HN 1.158 nan 8.190 nan 0.000 0.477 1070 S N 3.178 118.881 115.700 0.004 0.000 2.497 1070 S HA 0.110 4.580 4.470 0.000 0.000 0.221 1070 S C 0.764 175.350 174.600 -0.024 0.000 1.037 1070 S CA -0.314 57.877 58.200 -0.015 0.000 0.920 1070 S CB 0.205 63.389 63.200 -0.027 0.000 0.800 1070 S HN 0.620 nan 8.310 nan 0.000 0.505 1071 Q N 2.177 121.970 119.800 -0.012 0.000 2.389 1071 Q HA 0.736 5.076 4.340 0.000 0.000 0.244 1071 Q C 0.342 176.341 176.000 -0.002 0.000 1.056 1071 Q CA 0.332 56.129 55.803 -0.009 0.000 0.908 1071 Q CB 0.300 29.038 28.738 -0.000 0.000 1.273 1071 Q HN 0.641 nan 8.270 nan 0.000 0.471 1072 G N 1.068 109.867 108.800 -0.002 0.000 2.341 1072 G HA2 0.002 3.962 3.960 0.000 0.000 0.293 1072 G HA3 0.002 3.962 3.960 0.000 0.000 0.293 1072 G C -0.149 174.753 174.900 0.004 0.000 1.298 1072 G CA -0.540 44.562 45.100 0.002 0.000 0.868 1072 G HN 0.221 nan 8.290 nan 0.000 0.540 1073 Q N -0.432 119.371 119.800 0.004 0.000 2.036 1073 Q HA 0.132 4.472 4.340 0.000 0.000 0.195 1073 Q C -1.441 174.565 176.000 0.009 0.000 0.971 1073 Q CA 1.398 57.206 55.803 0.007 0.000 0.826 1073 Q CB -0.715 28.026 28.738 0.005 0.000 0.896 1073 Q HN 0.525 nan 8.270 nan 0.000 0.449 1074 P HA 0.178 nan 4.420 nan 0.000 0.297 1074 P C -0.916 176.398 177.300 0.024 0.000 1.331 1074 P CA 0.026 63.136 63.100 0.015 0.000 0.803 1074 P CB 1.070 32.775 31.700 0.008 0.000 0.929 1075 T N 4.454 119.032 114.554 0.040 0.000 2.902 1075 T HA 0.183 4.533 4.350 0.000 0.000 0.301 1075 T C 0.466 175.218 174.700 0.086 0.000 1.012 1075 T CA 0.264 62.399 62.100 0.058 0.000 1.151 1075 T CB -0.036 68.880 68.868 0.079 0.000 0.946 1075 T HN 0.233 nan 8.240 nan 0.000 0.542 1076 L N 3.750 125.017 121.223 0.073 0.000 2.313 1076 L HA 0.506 4.846 4.340 0.000 0.000 0.283 1076 L C -0.371 176.561 176.870 0.102 0.000 1.013 1076 L CA -1.105 53.787 54.840 0.087 0.000 0.816 1076 L CB 1.652 43.741 42.059 0.049 0.000 1.236 1076 L HN 0.348 nan 8.230 nan 0.000 0.419 1077 V N 4.541 124.545 119.914 0.151 0.000 2.370 1077 V HA 0.332 4.452 4.120 0.000 0.000 0.279 1077 V C 0.026 176.187 176.094 0.112 0.000 1.029 1077 V CA -0.412 61.964 62.300 0.127 0.000 0.870 1077 V CB 1.698 33.638 31.823 0.194 0.000 0.984 1077 V HN 0.436 nan 8.190 nan 0.000 0.451 1078 I N 6.529 127.151 120.570 0.087 0.000 2.307 1078 I HA 0.405 4.575 4.170 0.000 0.000 0.289 1078 I C 0.175 176.342 176.117 0.083 0.000 1.021 1078 I CA 0.282 61.632 61.300 0.083 0.000 1.224 1078 I CB 0.955 38.998 38.000 0.072 0.000 1.376 1078 I HN 0.411 nan 8.210 nan 0.000 0.470 1079 M N 4.509 124.157 119.600 0.081 0.000 2.508 1079 M HA 0.329 4.809 4.480 0.000 0.000 0.327 1079 M C 0.186 176.523 176.300 0.062 0.000 1.160 1079 M CA -0.723 54.622 55.300 0.075 0.000 0.980 1079 M CB 1.640 34.287 32.600 0.080 0.000 1.693 1079 M HN 0.546 nan 8.290 nan 0.000 0.452 1080 E N 2.515 122.749 120.200 0.057 0.000 2.652 1080 E HA -0.000 4.350 4.350 0.000 0.000 0.255 1080 E C -1.097 175.520 176.600 0.028 0.000 0.952 1080 E CA 0.023 56.446 56.400 0.039 0.000 0.947 1080 E CB 0.611 30.331 29.700 0.032 0.000 0.912 1080 E HN 0.568 nan 8.360 nan 0.000 0.489 1081 L N 5.095 126.330 121.223 0.020 0.000 2.426 1081 L HA 0.113 4.453 4.340 0.000 0.000 0.271 1081 L C -0.187 176.677 176.870 -0.009 0.000 1.169 1081 L CA -0.119 54.727 54.840 0.010 0.000 0.836 1081 L CB 0.664 42.728 42.059 0.009 0.000 1.112 1081 L HN 0.753 nan 8.230 nan 0.000 0.465 1082 M N 4.321 123.911 119.600 -0.016 0.000 2.065 1082 M HA 0.129 4.609 4.480 0.000 0.000 0.308 1082 M C 1.161 177.430 176.300 -0.052 0.000 0.939 1082 M CA -0.404 54.872 55.300 -0.041 0.000 0.890 1082 M CB 0.524 33.103 32.600 -0.035 0.000 1.383 1082 M HN 0.669 nan 8.290 nan 0.000 0.381 1083 T N -0.443 114.071 114.554 -0.068 0.000 2.751 1083 T HA -0.181 4.169 4.350 0.000 0.000 0.268 1083 T C 1.259 175.920 174.700 -0.065 0.000 1.045 1083 T CA 1.335 63.395 62.100 -0.066 0.000 1.142 1083 T CB -0.165 68.650 68.868 -0.089 0.000 0.851 1083 T HN 0.610 nan 8.240 nan 0.000 0.474 1084 R N 1.880 122.321 120.500 -0.098 0.000 2.480 1084 R HA 0.446 4.786 4.340 0.000 0.000 0.277 1084 R C 1.560 177.857 176.300 -0.005 0.000 1.008 1084 R CA 0.148 56.209 56.100 -0.065 0.000 1.090 1084 R CB -0.286 29.911 30.300 -0.172 0.000 1.234 1084 R HN 0.588 nan 8.270 nan 0.000 0.549 1085 G N 2.543 111.337 108.800 -0.010 0.000 2.682 1085 G HA2 -0.324 3.636 3.960 0.000 0.000 0.256 1085 G HA3 -0.324 3.636 3.960 0.000 0.000 0.256 1085 G C -0.384 174.526 174.900 0.016 0.000 1.333 1085 G CA -0.004 45.103 45.100 0.011 0.000 0.904 1085 G HN 0.555 nan 8.290 nan 0.000 0.569 1086 D N -0.416 120.002 120.400 0.030 0.000 2.344 1086 D HA 0.251 4.891 4.640 0.000 0.000 0.244 1086 D C 1.638 177.986 176.300 0.080 0.000 1.134 1086 D CA -0.236 53.782 54.000 0.031 0.000 0.930 1086 D CB 1.411 42.219 40.800 0.014 0.000 1.175 1086 D HN 0.496 nan 8.370 nan 0.000 0.437 1087 L N 1.064 122.331 121.223 0.073 0.000 2.141 1087 L HA -0.135 4.205 4.340 0.000 0.000 0.209 1087 L C 2.255 179.226 176.870 0.169 0.000 1.094 1087 L CA 1.537 56.457 54.840 0.133 0.000 0.763 1087 L CB -0.808 41.308 42.059 0.096 0.000 0.908 1087 L HN 0.474 nan 8.230 nan 0.000 0.437 1088 K N -0.784 119.683 120.400 0.113 0.000 2.002 1088 K HA -0.111 4.209 4.320 0.000 0.000 0.209 1088 K C 2.011 178.671 176.600 0.099 0.000 1.048 1088 K CA 1.691 58.042 56.287 0.107 0.000 0.930 1088 K CB -0.126 32.424 32.500 0.084 0.000 0.714 1088 K HN 0.391 nan 8.250 nan 0.000 0.438 1089 S N 0.248 116.005 115.700 0.095 0.000 2.383 1089 S HA -0.159 4.311 4.470 0.000 0.000 0.227 1089 S C 1.701 176.361 174.600 0.100 0.000 1.026 1089 S CA 1.203 59.451 58.200 0.080 0.000 0.981 1089 S CB -0.467 62.775 63.200 0.070 0.000 0.818 1089 S HN 0.436 nan 8.310 nan 0.000 0.472 1090 Y N 2.298 122.619 120.300 0.035 0.000 2.200 1090 Y HA -0.034 4.516 4.550 0.000 0.000 0.290 1090 Y C 1.849 177.775 175.900 0.044 0.000 1.137 1090 Y CA 1.153 59.283 58.100 0.049 0.000 1.163 1090 Y CB -0.482 38.019 38.460 0.068 0.000 0.988 1090 Y HN 0.112 nan 8.280 nan 0.000 0.518 1091 L N 0.168 121.392 121.223 0.002 0.000 2.079 1091 L HA -0.254 4.086 4.340 0.000 0.000 0.210 1091 L C 2.593 179.378 176.870 -0.141 0.000 1.081 1091 L CA 1.462 56.240 54.840 -0.103 0.000 0.752 1091 L CB -0.472 41.604 42.059 0.029 0.000 0.896 1091 L HN 0.228 nan 8.230 nan 0.000 0.433 1092 R N -0.376 120.081 120.500 -0.072 0.000 2.115 1092 R HA -0.084 4.256 4.340 0.000 0.000 0.226 1092 R C 2.328 178.574 176.300 -0.090 0.000 1.100 1092 R CA 1.488 57.553 56.100 -0.059 0.000 0.980 1092 R CB -0.546 29.747 30.300 -0.012 0.000 0.875 1092 R HN 0.444 nan 8.270 nan 0.000 0.445 1093 S N 0.572 116.198 115.700 -0.123 0.000 2.603 1093 S HA 0.041 4.511 4.470 0.000 0.000 0.229 1093 S C 1.685 176.188 174.600 -0.163 0.000 0.972 1093 S CA 0.447 58.577 58.200 -0.116 0.000 0.935 1093 S CB -0.184 62.967 63.200 -0.082 0.000 0.769 1093 S HN 0.243 nan 8.310 nan 0.000 0.536 1094 L N 0.007 121.102 121.223 -0.214 0.000 2.616 1094 L HA 0.305 4.645 4.340 0.000 0.000 0.229 1094 L C 1.013 177.809 176.870 -0.125 0.000 1.110 1094 L CA -0.256 54.467 54.840 -0.195 0.000 0.884 1094 L CB -0.001 41.903 42.059 -0.258 0.000 1.115 1094 L HN 0.165 nan 8.230 nan 0.000 0.481 1095 R N 0.915 121.353 120.500 -0.104 0.000 2.615 1095 R HA 0.128 4.468 4.340 0.000 0.000 0.270 1095 R C -1.144 175.119 176.300 -0.060 0.000 1.081 1095 R CA -1.332 54.722 56.100 -0.077 0.000 1.154 1095 R CB -0.011 30.251 30.300 -0.063 0.000 1.063 1095 R HN -0.123 nan 8.270 nan 0.000 0.519 1096 P HA -0.173 nan 4.420 nan 0.000 0.205 1096 P C -0.567 176.714 177.300 -0.032 0.000 1.193 1096 P CA 1.534 64.610 63.100 -0.040 0.000 0.929 1096 P CB 0.108 31.786 31.700 -0.037 0.000 0.772 1103 V N -1.328 118.561 119.914 -0.042 0.000 0.535 1103 V HA -0.358 3.762 4.120 0.000 0.000 0.092 1103 V C 0.267 176.326 176.094 -0.058 0.000 2.149 1103 V CA 2.346 64.618 62.300 -0.046 0.000 3.532 1103 V CB -2.329 29.469 31.823 -0.041 0.000 0.823 1103 V HN 1.180 nan 8.190 nan 0.000 0.859 1104 L N -1.660 119.526 121.223 -0.062 0.000 3.760 1104 L HA 0.134 4.474 4.340 0.000 0.000 0.604 1104 L C -0.075 176.744 176.870 -0.086 0.000 1.108 1104 L CA 1.287 56.081 54.840 -0.077 0.000 0.941 1104 L CB -2.400 39.609 42.059 -0.085 0.000 1.244 1104 L HN 1.604 nan 8.230 nan 0.000 0.789 1105 A N 3.305 126.078 122.820 -0.079 0.000 2.331 1105 A HA 0.910 5.230 4.320 0.000 0.000 0.283 1105 A C -1.287 176.243 177.584 -0.090 0.000 1.142 1105 A CA -0.961 51.028 52.037 -0.081 0.000 0.812 1105 A CB 0.233 19.193 19.000 -0.067 0.000 1.074 1105 A HN 0.642 nan 8.150 nan 0.000 0.497 1106 P HA 0.410 nan 4.420 nan 0.000 0.276 1106 P C -2.672 174.581 177.300 -0.079 0.000 1.252 1106 P CA -1.364 61.676 63.100 -0.099 0.000 0.802 1106 P CB -0.375 31.259 31.700 -0.110 0.000 1.035 1107 P HA -0.020 nan 4.420 nan 0.000 0.269 1107 P C 0.186 177.456 177.300 -0.051 0.000 1.211 1107 P CA 0.158 63.226 63.100 -0.054 0.000 0.781 1107 P CB -0.013 31.672 31.700 -0.026 0.000 0.877 1108 S N 1.836 117.507 115.700 -0.047 0.000 2.558 1108 S HA -0.019 4.451 4.470 0.000 0.000 0.288 1108 S C 1.358 175.935 174.600 -0.038 0.000 1.318 1108 S CA -0.590 57.585 58.200 -0.043 0.000 1.056 1108 S CB -0.058 63.117 63.200 -0.041 0.000 0.853 1108 S HN 0.486 nan 8.310 nan 0.000 0.505 1109 L N 2.224 123.425 121.223 -0.037 0.000 2.197 1109 L HA -0.154 4.186 4.340 0.000 0.000 0.215 1109 L C 2.541 179.391 176.870 -0.033 0.000 1.095 1109 L CA 2.076 56.895 54.840 -0.035 0.000 0.764 1109 L CB -0.924 41.116 42.059 -0.031 0.000 0.897 1109 L HN 0.993 nan 8.230 nan 0.000 0.436 1110 S N -0.831 114.850 115.700 -0.031 0.000 2.371 1110 S HA -0.121 4.349 4.470 0.000 0.000 0.224 1110 S C 1.903 176.486 174.600 -0.028 0.000 1.029 1110 S CA 0.776 58.958 58.200 -0.030 0.000 0.978 1110 S CB 0.098 63.283 63.200 -0.026 0.000 0.833 1110 S HN 0.360 nan 8.310 nan 0.000 0.466 1111 K N 0.759 121.143 120.400 -0.026 0.000 2.057 1111 K HA 0.051 4.371 4.320 0.000 0.000 0.206 1111 K C 2.102 178.699 176.600 -0.006 0.000 1.050 1111 K CA 1.049 57.326 56.287 -0.016 0.000 0.935 1111 K CB -0.477 32.009 32.500 -0.023 0.000 0.715 1111 K HN 0.432 nan 8.250 nan 0.000 0.439 1112 M N 0.317 119.907 119.600 -0.016 0.000 2.117 1112 M HA -0.138 4.342 4.480 0.000 0.000 0.262 1112 M C 2.005 178.292 176.300 -0.021 0.000 1.065 1112 M CA 1.145 56.435 55.300 -0.017 0.000 1.114 1112 M CB -0.110 32.470 32.600 -0.033 0.000 1.361 1112 M HN -0.012 nan 8.290 nan 0.000 0.408 1113 I N 0.120 120.672 120.570 -0.031 0.000 2.226 1113 I HA -0.274 3.896 4.170 0.000 0.000 0.245 1113 I C 2.382 178.464 176.117 -0.058 0.000 1.100 1113 I CA 1.535 62.810 61.300 -0.041 0.000 1.374 1113 I CB -1.247 36.722 38.000 -0.052 0.000 1.057 1113 I HN 0.354 nan 8.210 nan 0.000 0.413 1114 Q N 0.920 120.688 119.800 -0.053 0.000 1.985 1114 Q HA -0.224 4.116 4.340 0.000 0.000 0.207 1114 Q C 2.331 178.313 176.000 -0.030 0.000 0.996 1114 Q CA 2.143 57.913 55.803 -0.055 0.000 0.851 1114 Q CB -0.352 28.381 28.738 -0.008 0.000 0.921 1114 Q HN 0.395 nan 8.270 nan 0.000 0.418 1115 M N -0.608 118.997 119.600 0.008 0.000 2.089 1115 M HA -0.281 4.199 4.480 0.000 0.000 0.257 1115 M C 2.155 178.480 176.300 0.043 0.000 1.071 1115 M CA 1.880 57.198 55.300 0.030 0.000 1.096 1115 M CB -0.574 32.051 32.600 0.043 0.000 1.330 1115 M HN 0.383 nan 8.290 nan 0.000 0.403 1116 A N 0.394 123.239 122.820 0.041 0.000 1.883 1116 A HA -0.100 4.220 4.320 0.000 0.000 0.217 1116 A C 2.362 180.070 177.584 0.206 0.000 1.186 1116 A CA 2.074 54.193 52.037 0.136 0.000 0.624 1116 A CB -1.639 17.419 19.000 0.095 0.000 0.822 1116 A HN 0.576 nan 8.150 nan 0.000 0.444 1117 G N -0.440 108.374 108.800 0.022 0.000 2.422 1117 G HA2 -0.201 3.759 3.960 0.000 0.000 0.218 1117 G HA3 -0.201 3.759 3.960 0.000 0.000 0.218 1117 G C 1.401 176.259 174.900 -0.069 0.000 1.146 1117 G CA 0.990 46.033 45.100 -0.094 0.000 0.769 1117 G HN 0.695 nan 8.290 nan 0.000 0.547 1118 E N 0.015 120.148 120.200 -0.112 0.000 2.152 1118 E HA 0.008 4.358 4.350 0.000 0.000 0.192 1118 E C 2.432 178.956 176.600 -0.127 0.000 0.983 1118 E CA 0.384 56.599 56.400 -0.308 0.000 0.818 1118 E CB -0.072 29.498 29.700 -0.216 0.000 0.758 1118 E HN 0.472 nan 8.360 nan 0.000 0.467 1119 I N 1.214 121.811 120.570 0.045 0.000 2.353 1119 I HA -0.182 3.988 4.170 0.000 0.000 0.248 1119 I C 2.520 178.661 176.117 0.041 0.000 1.119 1119 I CA 0.705 62.078 61.300 0.122 0.000 1.417 1119 I CB -0.210 37.954 38.000 0.273 0.000 1.078 1119 I HN 0.064 nan 8.210 nan 0.000 0.421 1120 A N 0.278 123.126 122.820 0.046 0.000 1.969 1120 A HA -0.257 4.063 4.320 0.000 0.000 0.218 1120 A C 1.944 179.455 177.584 -0.121 0.000 1.169 1120 A CA 2.073 53.982 52.037 -0.213 0.000 0.635 1120 A CB -0.558 18.360 19.000 -0.136 0.000 0.810 1120 A HN 0.407 nan 8.150 nan 0.000 0.445 1121 D N -0.598 119.832 120.400 0.051 0.000 2.097 1121 D HA -0.028 4.612 4.640 0.000 0.000 0.197 1121 D C 2.047 178.439 176.300 0.152 0.000 0.984 1121 D CA 1.699 55.833 54.000 0.224 0.000 0.826 1121 D CB -0.459 40.559 40.800 0.363 0.000 0.973 1121 D HN 0.267 nan 8.370 nan 0.000 0.460 1122 G N 0.287 109.142 108.800 0.092 0.000 2.446 1122 G HA2 -0.262 3.698 3.960 0.000 0.000 0.217 1122 G HA3 -0.262 3.698 3.960 0.000 0.000 0.217 1122 G C 1.563 176.413 174.900 -0.084 0.000 1.168 1122 G CA 0.989 46.114 45.100 0.042 0.000 0.771 1122 G HN 0.179 nan 8.290 nan 0.000 0.551 1123 M N 1.189 120.625 119.600 -0.273 0.000 2.108 1123 M HA -0.005 4.475 4.480 0.000 0.000 0.261 1123 M C 3.036 179.070 176.300 -0.444 0.000 1.066 1123 M CA 1.369 56.328 55.300 -0.568 0.000 1.107 1123 M CB -1.323 30.379 32.600 -1.497 0.000 1.356 1123 M HN 0.330 nan 8.290 nan 0.000 0.406 1124 A N -1.082 121.570 122.820 -0.279 0.000 1.972 1124 A HA -0.226 4.094 4.320 0.000 0.000 0.219 1124 A C 2.137 179.588 177.584 -0.223 0.000 1.169 1124 A CA 1.439 53.496 52.037 0.035 0.000 0.635 1124 A CB -1.086 18.102 19.000 0.314 0.000 0.810 1124 A HN 0.537 nan 8.150 nan 0.000 0.446 1125 Y N 0.194 120.106 120.300 -0.647 0.000 2.163 1125 Y HA -0.140 4.410 4.550 0.000 0.000 0.288 1125 Y C 2.067 177.633 175.900 -0.557 0.000 1.136 1125 Y CA 1.556 59.024 58.100 -1.052 0.000 1.147 1125 Y CB -0.208 37.769 38.460 -0.806 0.000 0.987 1125 Y HN 0.175 nan 8.280 nan 0.000 0.509 1126 L N 0.641 121.656 121.223 -0.346 0.000 2.013 1126 L HA -0.334 4.006 4.340 0.000 0.000 0.212 1126 L C 1.857 178.625 176.870 -0.170 0.000 1.073 1126 L CA 2.374 57.008 54.840 -0.342 0.000 0.753 1126 L CB -0.998 40.936 42.059 -0.209 0.000 0.890 1126 L HN 0.469 nan 8.230 nan 0.000 0.432 1127 N N -0.854 117.787 118.700 -0.099 0.000 2.396 1127 N HA -0.084 4.657 4.740 0.000 0.000 0.180 1127 N C 1.726 177.201 175.510 -0.057 0.000 1.028 1127 N CA 0.764 53.810 53.050 -0.006 0.000 0.893 1127 N CB 0.156 38.716 38.487 0.121 0.000 0.967 1127 N HN 0.313 nan 8.380 nan 0.000 0.440 1128 A N 1.151 123.885 122.820 -0.143 0.000 1.970 1128 A HA 0.009 4.329 4.320 0.000 0.000 0.216 1128 A C 1.549 179.042 177.584 -0.151 0.000 1.170 1128 A CA 0.780 52.751 52.037 -0.110 0.000 0.645 1128 A CB -0.060 18.890 19.000 -0.084 0.000 0.816 1128 A HN 0.252 nan 8.150 nan 0.000 0.447 1129 N N -0.286 118.272 118.700 -0.236 0.000 2.322 1129 N HA 0.065 4.805 4.740 0.000 0.000 0.216 1129 N C -0.601 174.844 175.510 -0.110 0.000 1.144 1129 N CA 0.065 53.038 53.050 -0.128 0.000 0.830 1129 N CB 0.291 38.720 38.487 -0.096 0.000 1.034 1129 N HN 0.169 nan 8.380 nan 0.000 0.484 1130 K N 0.099 120.409 120.400 -0.150 0.000 3.162 1130 K HA -0.153 4.167 4.320 0.000 0.000 0.268 1130 K C -1.359 174.980 176.600 -0.435 0.000 1.062 1130 K CA 0.523 56.661 56.287 -0.247 0.000 0.769 1130 K CB -1.633 30.695 32.500 -0.286 0.000 1.274 1130 K HN 0.170 nan 8.250 nan 0.000 0.478 1131 F N -1.505 118.412 119.950 -0.055 0.000 2.579 1131 F HA 0.647 5.174 4.527 0.000 0.000 0.324 1131 F C 0.408 176.215 175.800 0.011 0.000 1.058 1131 F CA -1.077 56.912 58.000 -0.019 0.000 0.944 1131 F CB 1.712 40.697 39.000 -0.026 0.000 1.245 1131 F HN -0.256 nan 8.300 nan 0.000 0.477 1132 V N 1.955 122.030 119.914 0.268 0.000 2.555 1132 V HA 0.199 4.319 4.120 0.000 0.000 0.302 1132 V C 0.565 176.813 176.094 0.257 0.000 1.038 1132 V CA -0.532 61.910 62.300 0.237 0.000 0.887 1132 V CB 1.504 33.452 31.823 0.207 0.000 0.991 1132 V HN 0.827 nan 8.190 nan 0.000 0.434 1133 H N 3.969 123.154 119.070 0.193 0.000 2.372 1133 H HA 0.069 4.625 4.556 0.000 0.000 0.301 1133 H C 1.685 177.076 175.328 0.105 0.000 1.065 1133 H CA 1.899 58.051 56.048 0.173 0.000 1.364 1133 H CB 0.399 30.256 29.762 0.158 0.000 1.406 1133 H HN 0.740 nan 8.280 nan 0.000 0.521 1134 R N -1.231 119.466 120.500 0.328 0.000 3.902 1134 R HA -0.200 4.140 4.340 0.000 0.000 0.445 1134 R C 0.398 176.824 176.300 0.209 0.000 0.709 1134 R CA 1.699 57.899 56.100 0.168 0.000 1.607 1134 R CB -1.434 28.715 30.300 -0.253 0.000 2.233 1134 R HN 0.320 nan 8.270 nan 0.000 0.430 1135 D N 0.287 120.844 120.400 0.261 0.000 2.503 1135 D HA 0.117 4.757 4.640 0.000 0.000 0.218 1135 D C -0.377 175.813 176.300 -0.184 0.000 1.183 1135 D CA -0.366 53.691 54.000 0.094 0.000 0.827 1135 D CB 0.314 41.215 40.800 0.170 0.000 1.034 1135 D HN 0.028 nan 8.370 nan 0.000 0.510 1136 L N 1.718 122.748 121.223 -0.321 0.000 2.628 1136 L HA 0.371 4.711 4.340 0.000 0.000 0.274 1136 L C -0.368 176.420 176.870 -0.137 0.000 1.209 1136 L CA 0.309 54.922 54.840 -0.379 0.000 0.930 1136 L CB -0.149 41.845 42.059 -0.108 0.000 1.183 1136 L HN 0.115 nan 8.230 nan 0.000 0.492 1137 A N 4.017 126.716 122.820 -0.200 0.000 2.608 1137 A HA 0.708 5.028 4.320 0.000 0.000 0.292 1137 A C 0.550 178.093 177.584 -0.067 0.000 1.066 1137 A CA -0.202 51.715 52.037 -0.201 0.000 0.676 1137 A CB 0.374 18.919 19.000 -0.757 0.000 1.277 1137 A HN 1.129 nan 8.150 nan 0.000 0.413 1138 A N 0.851 123.717 122.820 0.076 0.000 1.948 1138 A HA -0.183 4.137 4.320 0.000 0.000 0.220 1138 A C 1.946 179.537 177.584 0.012 0.000 1.177 1138 A CA 2.150 54.238 52.037 0.085 0.000 0.636 1138 A CB -0.601 18.501 19.000 0.170 0.000 0.815 1138 A HN 1.159 nan 8.150 nan 0.000 0.449 1139 R N -0.978 119.490 120.500 -0.053 0.000 2.285 1139 R HA -0.041 4.299 4.340 0.000 0.000 0.213 1139 R C 0.492 176.742 176.300 -0.083 0.000 1.068 1139 R CA 1.562 57.622 56.100 -0.068 0.000 1.004 1139 R CB -0.380 29.850 30.300 -0.117 0.000 0.873 1139 R HN 0.398 nan 8.270 nan 0.000 0.467 1140 N N -0.036 118.601 118.700 -0.105 0.000 2.250 1140 N HA 0.088 4.828 4.740 0.000 0.000 0.190 1140 N C -0.269 175.188 175.510 -0.087 0.000 1.116 1140 N CA 0.061 53.046 53.050 -0.109 0.000 0.881 1140 N CB 0.446 38.845 38.487 -0.148 0.000 1.006 1140 N HN 0.140 nan 8.380 nan 0.000 0.491 1141 C N 1.615 120.883 119.300 -0.053 0.000 2.459 1141 C HA 0.521 4.981 4.460 0.000 0.000 0.374 1141 C C 0.495 175.475 174.990 -0.016 0.000 1.241 1141 C CA -0.765 58.237 59.018 -0.026 0.000 2.352 1141 C CB 0.474 28.217 27.740 0.005 0.000 2.490 1141 C HN 0.201 nan 8.230 nan 0.000 0.583 1142 M N 1.732 121.322 119.600 -0.017 0.000 2.598 1142 M HA 0.531 5.011 4.480 0.000 0.000 0.317 1142 M C -0.795 175.477 176.300 -0.046 0.000 1.179 1142 M CA -0.480 54.805 55.300 -0.025 0.000 0.936 1142 M CB 1.611 34.196 32.600 -0.025 0.000 1.713 1142 M HN 0.375 nan 8.290 nan 0.000 0.460 1143 V N 1.428 121.292 119.914 -0.084 0.000 2.417 1143 V HA 0.685 4.805 4.120 0.000 0.000 0.291 1143 V C 0.292 176.284 176.094 -0.170 0.000 1.024 1143 V CA -1.025 61.178 62.300 -0.160 0.000 0.861 1143 V CB 1.164 32.787 31.823 -0.332 0.000 0.985 1143 V HN 0.994 nan 8.190 nan 0.000 0.436 1144 A N 2.621 125.346 122.820 -0.159 0.000 2.304 1144 A HA 0.501 4.821 4.320 0.000 0.000 0.271 1144 A C 1.251 178.665 177.584 -0.284 0.000 1.091 1144 A CA -0.092 51.849 52.037 -0.160 0.000 0.812 1144 A CB 0.360 19.303 19.000 -0.095 0.000 1.056 1144 A HN 0.989 nan 8.150 nan 0.000 0.489 1145 E N 0.399 120.452 120.200 -0.244 0.000 2.208 1145 E HA -0.265 4.085 4.350 0.000 0.000 0.202 1145 E C 0.881 177.203 176.600 -0.463 0.000 1.014 1145 E CA 2.257 58.463 56.400 -0.325 0.000 0.819 1145 E CB -0.031 29.568 29.700 -0.168 0.000 0.735 1145 E HN 0.746 nan 8.360 nan 0.000 0.469 1146 D N -1.725 118.519 120.400 -0.261 0.000 2.325 1146 D HA -0.061 4.579 4.640 0.000 0.000 0.225 1146 D C -0.089 176.252 176.300 0.068 0.000 1.096 1146 D CA -0.162 53.784 54.000 -0.090 0.000 0.844 1146 D CB -0.382 40.451 40.800 0.054 0.000 0.925 1146 D HN 0.310 nan 8.370 nan 0.000 0.513 1147 F N -1.181 118.741 119.950 -0.047 0.000 2.628 1147 F HA -0.214 4.313 4.527 0.000 0.000 0.319 1147 F C 0.278 176.031 175.800 -0.077 0.000 0.645 1147 F CA 0.492 58.426 58.000 -0.110 0.000 1.499 1147 F CB -2.576 36.384 39.000 -0.065 0.000 1.900 1147 F HN -0.130 nan 8.300 nan 0.000 0.308 1148 T N 1.687 116.284 114.554 0.072 0.000 2.901 1148 T HA 0.518 4.868 4.350 0.000 0.000 0.301 1148 T C 0.389 175.107 174.700 0.031 0.000 1.012 1148 T CA -0.254 61.902 62.100 0.094 0.000 1.135 1148 T CB 1.761 70.697 68.868 0.112 0.000 0.936 1148 T HN 0.007 nan 8.240 nan 0.000 0.539 1149 V N 4.535 124.486 119.914 0.062 0.000 2.435 1149 V HA 0.448 4.568 4.120 0.000 0.000 0.290 1149 V C 0.021 176.156 176.094 0.068 0.000 1.030 1149 V CA -0.608 61.712 62.300 0.034 0.000 0.881 1149 V CB 1.473 33.317 31.823 0.035 0.000 0.983 1149 V HN 0.759 nan 8.190 nan 0.000 0.445 1150 K N 4.521 124.944 120.400 0.038 0.000 2.375 1150 K HA 0.617 4.937 4.320 0.000 0.000 0.249 1150 K C -1.063 175.561 176.600 0.039 0.000 0.942 1150 K CA -0.899 55.422 56.287 0.056 0.000 0.806 1150 K CB 2.173 34.679 32.500 0.011 0.000 1.227 1150 K HN 0.349 nan 8.250 nan 0.000 0.430 1151 I N 1.476 122.084 120.570 0.064 0.000 2.692 1151 I HA 0.103 4.273 4.170 0.000 0.000 0.284 1151 I C 1.268 177.365 176.117 -0.035 0.000 1.159 1151 I CA 0.388 61.704 61.300 0.027 0.000 1.423 1151 I CB 0.564 38.630 38.000 0.109 0.000 1.380 1151 I HN 1.031 nan 8.210 nan 0.000 0.580 1152 G N 3.591 112.252 108.800 -0.231 0.000 2.578 1152 G HA2 0.003 3.963 3.960 0.000 0.000 0.184 1152 G HA3 0.003 3.963 3.960 0.000 0.000 0.184 1152 G C -0.216 174.455 174.900 -0.382 0.000 1.289 1152 G CA 0.048 45.018 45.100 -0.217 0.000 0.847 1152 G HN 0.540 nan 8.290 nan 0.000 0.880 1153 D N -0.071 120.003 120.400 -0.543 0.000 2.481 1153 D HA 0.473 5.113 4.640 0.000 0.000 0.246 1153 D C -0.900 175.074 176.300 -0.543 0.000 1.109 1153 D CA -0.896 52.884 54.000 -0.366 0.000 0.845 1153 D CB 1.098 41.817 40.800 -0.135 0.000 1.160 1153 D HN 0.033 nan 8.370 nan 0.000 0.534 1154 F N 1.591 121.515 119.950 -0.044 0.000 2.855 1154 F HA 0.321 4.848 4.527 0.000 0.000 0.317 1154 F C 1.930 177.674 175.800 -0.094 0.000 1.169 1154 F CA -0.716 57.185 58.000 -0.164 0.000 1.299 1154 F CB 1.388 40.320 39.000 -0.115 0.000 0.962 1154 F HN 0.515 nan 8.300 nan 0.000 0.506 1155 G N -0.135 108.711 108.800 0.077 0.000 2.598 1155 G HA2 -0.142 3.818 3.960 0.000 0.000 0.215 1155 G HA3 -0.142 3.818 3.960 0.000 0.000 0.215 1155 G C 1.290 176.219 174.900 0.047 0.000 1.131 1155 G CA 0.536 45.685 45.100 0.082 0.000 0.785 1155 G HN 0.296 nan 8.290 nan 0.000 0.539 1156 M N 0.375 119.992 119.600 0.028 0.000 2.292 1156 M HA 0.280 4.760 4.480 0.000 0.000 0.286 1156 M C 1.124 177.422 176.300 -0.003 0.000 1.002 1156 M CA -0.002 55.300 55.300 0.004 0.000 1.029 1156 M CB 0.875 33.480 32.600 0.009 0.000 1.537 1156 M HN 0.027 nan 8.290 nan 0.000 0.543 1157 T N 1.459 116.026 114.554 0.021 0.000 2.913 1157 T HA 0.445 4.795 4.350 0.000 0.000 0.297 1157 T C -0.085 174.691 174.700 0.125 0.000 1.029 1157 T CA -0.386 61.752 62.100 0.063 0.000 1.104 1157 T CB 0.706 69.603 68.868 0.048 0.000 0.964 1157 T HN 0.181 nan 8.240 nan 0.000 0.532 1158 R N 3.001 123.624 120.500 0.205 0.000 2.750 1158 R HA 0.377 4.717 4.340 0.000 0.000 0.281 1158 R C -0.852 175.646 176.300 0.330 0.000 0.972 1158 R CA -0.875 55.358 56.100 0.222 0.000 0.912 1158 R CB 1.484 31.840 30.300 0.093 0.000 1.187 1158 R HN 0.789 nan 8.270 nan 0.000 0.464 1159 D N 2.474 122.987 120.400 0.188 0.000 2.350 1159 D HA 0.309 4.949 4.640 0.000 0.000 0.249 1159 D C 0.145 176.331 176.300 -0.190 0.000 1.119 1159 D CA -0.078 53.757 54.000 -0.275 0.000 0.886 1159 D CB 0.671 41.336 40.800 -0.225 0.000 1.195 1159 D HN 0.468 nan 8.370 nan 0.000 0.437 1163 T N 0.352 114.898 114.554 -0.014 0.000 12.845 1163 T HA -0.229 4.121 4.350 0.000 0.000 0.408 1163 T C 0.199 174.901 174.700 0.005 0.000 1.522 1163 T CA 0.646 62.745 62.100 -0.000 0.000 2.486 1163 T CB -1.676 67.193 68.868 0.002 0.000 2.712 1163 T HN 0.778 nan 8.240 nan 0.000 0.626 1168 K N 2.401 122.917 120.400 0.193 0.000 2.349 1168 K HA 0.271 4.591 4.320 0.000 0.000 0.288 1168 K C 0.861 177.516 176.600 0.093 0.000 1.058 1168 K CA 0.736 57.110 56.287 0.144 0.000 0.953 1168 K CB 1.103 33.724 32.500 0.202 0.000 0.997 1168 K HN 0.665 nan 8.250 nan 0.000 0.477 1169 G N 2.791 111.630 108.800 0.065 0.000 2.424 1169 G HA2 -0.003 3.957 3.960 0.000 0.000 0.214 1169 G HA3 -0.003 3.957 3.960 0.000 0.000 0.214 1169 G C 0.635 175.560 174.900 0.042 0.000 1.202 1169 G CA 0.625 45.753 45.100 0.047 0.000 0.793 1169 G HN 0.721 nan 8.290 nan 0.000 0.534 1170 G N -0.695 108.129 108.800 0.040 0.000 2.940 1170 G HA2 0.445 4.405 3.960 0.000 0.000 0.164 1170 G HA3 0.445 4.405 3.960 0.000 0.000 0.164 1170 G C -0.474 174.449 174.900 0.039 0.000 1.326 1170 G CA -0.565 44.555 45.100 0.034 0.000 1.020 1170 G HN 0.090 nan 8.290 nan 0.000 0.586 1171 K N 0.710 121.129 120.400 0.032 0.000 2.484 1171 K HA 0.263 4.583 4.320 0.000 0.000 0.280 1171 K C 0.223 176.847 176.600 0.040 0.000 1.013 1171 K CA 0.230 56.537 56.287 0.034 0.000 1.029 1171 K CB 0.537 33.052 32.500 0.025 0.000 0.902 1171 K HN 0.496 nan 8.250 nan 0.000 0.481 1172 G N 2.816 111.648 108.800 0.052 0.000 2.452 1172 G HA2 0.474 4.434 3.960 0.000 0.000 0.324 1172 G HA3 0.474 4.434 3.960 0.000 0.000 0.324 1172 G C 0.218 175.150 174.900 0.053 0.000 1.214 1172 G CA -0.619 44.516 45.100 0.058 0.000 0.947 1172 G HN 0.552 nan 8.290 nan 0.000 0.478 1173 L N 2.257 123.504 121.223 0.039 0.000 2.872 1173 L HA 0.296 4.636 4.340 0.000 0.000 0.245 1173 L C 0.371 177.266 176.870 0.042 0.000 1.211 1173 L CA -0.133 54.727 54.840 0.034 0.000 1.013 1173 L CB -0.141 41.926 42.059 0.013 0.000 1.326 1173 L HN 0.235 nan 8.230 nan 0.000 0.525 1174 L N 1.607 122.871 121.223 0.068 0.000 2.416 1174 L HA 0.209 4.549 4.340 0.000 0.000 0.272 1174 L C -1.804 175.141 176.870 0.125 0.000 1.161 1174 L CA -1.679 53.215 54.840 0.091 0.000 0.845 1174 L CB 0.304 42.449 42.059 0.142 0.000 1.119 1174 L HN -0.087 nan 8.230 nan 0.000 0.464 1175 P HA -0.033 nan 4.420 nan 0.000 0.267 1175 P C 0.714 178.200 177.300 0.310 0.000 1.205 1175 P CA -0.300 62.931 63.100 0.218 0.000 0.765 1175 P CB 0.797 32.629 31.700 0.220 0.000 0.828 1176 V N 2.156 122.214 119.914 0.240 0.000 2.871 1176 V HA -0.104 4.016 4.120 0.000 0.000 0.256 1176 V C 1.543 177.750 176.094 0.188 0.000 1.082 1176 V CA 0.971 63.374 62.300 0.172 0.000 1.105 1176 V CB -0.996 30.870 31.823 0.072 0.000 0.713 1176 V HN 0.382 nan 8.190 nan 0.000 0.473 1177 R N -0.887 119.783 120.500 0.282 0.000 2.316 1177 R HA 0.042 4.382 4.340 0.000 0.000 0.202 1177 R C 1.511 177.871 176.300 0.101 0.000 1.029 1177 R CA 1.219 57.403 56.100 0.139 0.000 1.018 1177 R CB -0.176 30.118 30.300 -0.010 0.000 0.888 1177 R HN 0.631 nan 8.270 nan 0.000 0.471 1178 W N -0.091 121.354 121.300 0.242 0.000 2.870 1178 W HA 0.307 4.967 4.660 0.000 0.000 0.358 1178 W C 0.127 176.869 176.519 0.371 0.000 1.043 1178 W CA -0.533 57.001 57.345 0.315 0.000 1.692 1178 W CB 0.387 29.990 29.460 0.237 0.000 1.100 1178 W HN -0.027 nan 8.180 nan 0.000 0.557 1179 M N 1.088 120.921 119.600 0.388 0.000 2.274 1179 M HA 0.100 4.580 4.480 0.000 0.000 0.344 1179 M C 1.116 177.226 176.300 -0.317 0.000 1.161 1179 M CA 0.217 55.596 55.300 0.133 0.000 1.126 1179 M CB 1.327 33.968 32.600 0.068 0.000 1.522 1179 M HN -0.262 nan 8.290 nan 0.000 0.461 1180 S N 2.014 117.338 115.700 -0.627 0.000 2.603 1180 S HA 0.283 4.753 4.470 0.000 0.000 0.268 1180 S C -2.146 171.869 174.600 -0.975 0.000 1.317 1180 S CA -1.164 56.223 58.200 -1.355 0.000 1.012 1180 S CB 0.564 63.273 63.200 -0.819 0.000 0.926 1180 S HN 0.441 nan 8.310 nan 0.000 0.539 1181 P HA -0.149 nan 4.420 nan 0.000 0.218 1181 P C 1.523 178.502 177.300 -0.536 0.000 1.148 1181 P CA 1.300 63.959 63.100 -0.734 0.000 0.822 1181 P CB -0.058 31.092 31.700 -0.916 0.000 0.784 1182 E N -0.683 119.187 120.200 -0.550 0.000 2.158 1182 E HA -0.056 4.294 4.350 0.000 0.000 0.191 1182 E C 1.625 178.007 176.600 -0.363 0.000 0.982 1182 E CA 1.165 57.338 56.400 -0.378 0.000 0.823 1182 E CB -1.055 28.455 29.700 -0.317 0.000 0.766 1182 E HN 0.149 nan 8.360 nan 0.000 0.468 1183 S N 1.320 116.735 115.700 -0.475 0.000 2.387 1183 S HA 0.051 4.521 4.470 0.000 0.000 0.226 1183 S C 2.112 176.493 174.600 -0.364 0.000 1.026 1183 S CA 0.554 58.395 58.200 -0.597 0.000 0.972 1183 S CB -0.223 62.456 63.200 -0.868 0.000 0.814 1183 S HN 0.185 nan 8.310 nan 0.000 0.477 1184 L N 0.962 122.003 121.223 -0.303 0.000 2.131 1184 L HA -0.093 4.247 4.340 0.000 0.000 0.210 1184 L C 2.521 179.302 176.870 -0.149 0.000 1.092 1184 L CA 1.209 55.935 54.840 -0.191 0.000 0.759 1184 L CB -0.266 41.670 42.059 -0.205 0.000 0.903 1184 L HN 0.263 nan 8.230 nan 0.000 0.435 1185 K N -0.616 119.680 120.400 -0.174 0.000 2.099 1185 K HA -0.073 4.247 4.320 0.000 0.000 0.203 1185 K C 1.037 177.580 176.600 -0.094 0.000 1.047 1185 K CA 1.215 57.430 56.287 -0.119 0.000 0.963 1185 K CB 0.363 32.791 32.500 -0.119 0.000 0.759 1185 K HN 0.252 nan 8.250 nan 0.000 0.451 1186 D N -1.948 118.383 120.400 -0.115 0.000 2.498 1186 D HA 0.109 4.749 4.640 0.000 0.000 0.223 1186 D C 0.499 176.759 176.300 -0.068 0.000 1.125 1186 D CA 0.681 54.634 54.000 -0.078 0.000 0.835 1186 D CB 1.393 42.150 40.800 -0.072 0.000 1.086 1186 D HN 0.399 nan 8.370 nan 0.000 0.510 1187 G N 1.699 110.425 108.800 -0.123 0.000 2.160 1187 G HA2 -0.258 3.702 3.960 0.000 0.000 0.244 1187 G HA3 -0.258 3.702 3.960 0.000 0.000 0.244 1187 G C 0.274 175.115 174.900 -0.097 0.000 1.022 1187 G CA 0.252 45.306 45.100 -0.077 0.000 0.741 1187 G HN 0.248 nan 8.290 nan 0.000 0.508 1188 V N -0.173 119.595 119.914 -0.243 0.000 2.465 1188 V HA 0.738 4.858 4.120 0.000 0.000 0.279 1188 V C 0.165 176.047 176.094 -0.353 0.000 1.045 1188 V CA -0.590 61.623 62.300 -0.146 0.000 0.938 1188 V CB 0.939 32.701 31.823 -0.101 0.000 0.986 1188 V HN 0.206 nan 8.190 nan 0.000 0.467 1189 F N 2.739 122.713 119.950 0.041 0.000 2.482 1189 F HA 0.736 5.263 4.527 0.000 0.000 0.331 1189 F C 0.551 176.392 175.800 0.067 0.000 1.115 1189 F CA -0.322 57.717 58.000 0.064 0.000 0.955 1189 F CB 2.350 41.398 39.000 0.080 0.000 1.136 1189 F HN 0.671 nan 8.300 nan 0.000 0.452 1190 T N -3.182 111.503 114.554 0.219 0.000 2.841 1190 T HA 0.254 4.604 4.350 0.000 0.000 0.296 1190 T C 0.899 175.647 174.700 0.079 0.000 1.166 1190 T CA -0.110 62.057 62.100 0.112 0.000 1.007 1190 T CB 1.268 70.201 68.868 0.109 0.000 1.253 1190 T HN 0.622 nan 8.240 nan 0.000 0.511 1191 T N -0.909 113.591 114.554 -0.091 0.000 2.778 1191 T HA -0.221 4.129 4.350 0.000 0.000 0.269 1191 T C 1.419 176.085 174.700 -0.056 0.000 1.050 1191 T CA 1.583 63.645 62.100 -0.062 0.000 1.137 1191 T CB -1.083 67.673 68.868 -0.187 0.000 0.860 1191 T HN 0.633 nan 8.240 nan 0.000 0.468 1192 Y N 2.875 123.222 120.300 0.079 0.000 2.181 1192 Y HA -0.074 4.476 4.550 0.000 0.000 0.288 1192 Y C 3.272 179.249 175.900 0.129 0.000 1.146 1192 Y CA 0.948 59.080 58.100 0.054 0.000 1.164 1192 Y CB -1.121 37.356 38.460 0.027 0.000 0.982 1192 Y HN 0.491 nan 8.280 nan 0.000 0.515 1193 S N -0.570 115.295 115.700 0.275 0.000 2.402 1193 S HA -0.170 4.300 4.470 0.000 0.000 0.229 1193 S C 1.562 176.401 174.600 0.398 0.000 1.021 1193 S CA 1.420 59.776 58.200 0.260 0.000 0.974 1193 S CB -0.418 62.861 63.200 0.132 0.000 0.800 1193 S HN 0.338 nan 8.310 nan 0.000 0.484 1194 D N 1.437 122.069 120.400 0.387 0.000 2.144 1194 D HA 0.009 4.649 4.640 0.000 0.000 0.200 1194 D C 2.034 178.663 176.300 0.549 0.000 0.978 1194 D CA 0.778 55.070 54.000 0.487 0.000 0.833 1194 D CB -0.437 40.682 40.800 0.532 0.000 0.961 1194 D HN 0.323 nan 8.370 nan 0.000 0.470 1195 V N 0.861 120.951 119.914 0.293 0.000 2.427 1195 V HA -0.186 3.934 4.120 0.000 0.000 0.248 1195 V C 2.133 178.455 176.094 0.380 0.000 1.051 1195 V CA 1.156 63.500 62.300 0.073 0.000 1.048 1195 V CB -0.431 31.252 31.823 -0.233 0.000 0.666 1195 V HN 0.411 nan 8.190 nan 0.000 0.456 1196 W N 1.206 122.668 121.300 0.270 0.000 2.332 1196 W HA -0.244 4.416 4.660 0.000 0.000 0.321 1196 W C 2.517 179.313 176.519 0.462 0.000 1.219 1196 W CA 2.308 59.877 57.345 0.374 0.000 1.277 1196 W CB -0.680 28.941 29.460 0.268 0.000 1.161 1196 W HN 0.325 nan 8.180 nan 0.000 0.476 1197 S N 0.932 117.070 115.700 0.730 0.000 2.370 1197 S HA -0.267 4.203 4.470 0.000 0.000 0.226 1197 S C 1.563 176.468 174.600 0.510 0.000 1.033 1197 S CA 1.762 60.342 58.200 0.634 0.000 1.011 1197 S CB -1.202 62.345 63.200 0.579 0.000 0.852 1197 S HN 0.358 nan 8.310 nan 0.000 0.457 1198 F N 2.626 122.797 119.950 0.369 0.000 2.120 1198 F HA -0.142 4.385 4.527 0.000 0.000 0.300 1198 F C 2.248 178.159 175.800 0.186 0.000 1.095 1198 F CA 1.368 59.551 58.000 0.304 0.000 1.249 1198 F CB -0.988 38.271 39.000 0.433 0.000 0.995 1198 F HN 0.218 nan 8.300 nan 0.000 0.480 1199 G N -0.172 108.709 108.800 0.135 0.000 2.440 1199 G HA2 -0.225 3.735 3.960 0.000 0.000 0.218 1199 G HA3 -0.225 3.735 3.960 0.000 0.000 0.218 1199 G C 1.714 176.671 174.900 0.095 0.000 1.154 1199 G CA 1.262 46.241 45.100 -0.202 0.000 0.767 1199 G HN 0.359 nan 8.290 nan 0.000 0.552 1200 V N 0.761 120.867 119.914 0.320 0.000 2.407 1200 V HA -0.160 3.960 4.120 0.000 0.000 0.248 1200 V C 2.965 179.225 176.094 0.276 0.000 1.055 1200 V CA 1.626 64.077 62.300 0.252 0.000 1.049 1200 V CB -0.329 31.504 31.823 0.015 0.000 0.662 1200 V HN 0.348 nan 8.190 nan 0.000 0.455 1201 V N -0.709 119.339 119.914 0.224 0.000 2.667 1201 V HA -0.115 4.005 4.120 0.000 0.000 0.252 1201 V C 2.099 178.206 176.094 0.022 0.000 1.065 1201 V CA 1.533 63.943 62.300 0.183 0.000 1.083 1201 V CB -0.226 31.697 31.823 0.166 0.000 0.692 1201 V HN 0.465 nan 8.190 nan 0.000 0.468 1202 L N -1.270 119.859 121.223 -0.157 0.000 2.017 1202 L HA -0.159 4.181 4.340 0.000 0.000 0.208 1202 L C 2.392 179.263 176.870 0.001 0.000 1.073 1202 L CA 2.621 57.353 54.840 -0.179 0.000 0.745 1202 L CB -0.723 41.143 42.059 -0.321 0.000 0.894 1202 L HN 0.588 nan 8.230 nan 0.000 0.432 1203 W N 1.373 122.641 121.300 -0.054 0.000 2.317 1203 W HA -0.248 4.412 4.660 0.000 0.000 0.318 1203 W C 2.532 179.054 176.519 0.004 0.000 1.227 1203 W CA 1.995 59.358 57.345 0.030 0.000 1.269 1203 W CB -0.085 29.458 29.460 0.138 0.000 1.155 1203 W HN 0.107 nan 8.180 nan 0.000 0.484 1204 E N -0.063 120.329 120.200 0.319 0.000 2.070 1204 E HA -0.296 4.054 4.350 0.000 0.000 0.197 1204 E C 2.068 178.658 176.600 -0.017 0.000 1.004 1204 E CA 2.129 58.635 56.400 0.177 0.000 0.805 1204 E CB -0.658 29.220 29.700 0.297 0.000 0.744 1204 E HN 0.406 nan 8.360 nan 0.000 0.451 1205 I N 1.048 121.615 120.570 -0.006 0.000 2.208 1205 I HA -0.277 3.893 4.170 0.000 0.000 0.245 1205 I C 2.565 178.613 176.117 -0.115 0.000 1.097 1205 I CA 1.039 62.317 61.300 -0.036 0.000 1.363 1205 I CB -0.407 37.578 38.000 -0.026 0.000 1.051 1205 I HN 0.072 nan 8.210 nan 0.000 0.413 1206 A N 0.493 123.201 122.820 -0.188 0.000 2.015 1206 A HA -0.155 4.165 4.320 0.000 0.000 0.219 1206 A C 2.141 179.521 177.584 -0.340 0.000 1.163 1206 A CA 2.065 53.950 52.037 -0.253 0.000 0.646 1206 A CB -0.802 18.031 19.000 -0.278 0.000 0.806 1206 A HN 0.542 nan 8.150 nan 0.000 0.448 1207 T N -3.733 110.552 114.554 -0.449 0.000 3.085 1207 T HA 0.473 4.823 4.350 0.000 0.000 0.264 1207 T C 0.430 174.975 174.700 -0.258 0.000 1.019 1207 T CA 0.072 61.892 62.100 -0.466 0.000 0.910 1207 T CB -0.419 67.944 68.868 -0.841 0.000 1.059 1207 T HN 0.514 nan 8.240 nan 0.000 0.542 1208 L N 0.697 121.812 121.223 -0.182 0.000 3.597 1208 L HA -0.238 4.102 4.340 0.000 0.000 0.440 1208 L C 0.824 177.658 176.870 -0.061 0.000 1.277 1208 L CA 0.193 54.967 54.840 -0.109 0.000 0.852 1208 L CB -2.325 39.666 42.059 -0.113 0.000 1.708 1208 L HN 0.813 nan 8.230 nan 0.000 0.885 1209 A N -0.779 122.026 122.820 -0.025 0.000 2.971 1209 A HA -0.180 4.140 4.320 0.000 0.000 0.280 1209 A C 0.580 178.216 177.584 0.086 0.000 1.430 1209 A CA 1.406 53.485 52.037 0.070 0.000 0.749 1209 A CB -1.236 17.809 19.000 0.074 0.000 1.038 1209 A HN 0.665 nan 8.150 nan 0.000 0.510 1210 E N -0.263 119.976 120.200 0.065 0.000 2.371 1210 E HA 0.279 4.629 4.350 0.000 0.000 0.257 1210 E C 0.527 177.295 176.600 0.280 0.000 1.134 1210 E CA -0.547 55.935 56.400 0.135 0.000 0.919 1210 E CB 0.462 30.211 29.700 0.081 0.000 1.025 1210 E HN 0.591 nan 8.360 nan 0.000 0.438 1211 Q N 2.387 122.314 119.800 0.211 0.000 2.293 1211 Q HA 0.150 4.490 4.340 0.000 0.000 0.263 1211 Q C -2.279 173.746 176.000 0.042 0.000 1.002 1211 Q CA -1.872 54.024 55.803 0.154 0.000 0.910 1211 Q CB 0.670 29.479 28.738 0.119 0.000 1.185 1211 Q HN 0.126 nan 8.270 nan 0.000 0.401 1212 P HA -0.086 nan 4.420 nan 0.000 0.265 1212 P C -1.256 175.728 177.300 -0.526 0.000 1.193 1212 P CA 0.399 62.982 63.100 -0.862 0.000 0.765 1212 P CB 0.121 31.157 31.700 -1.107 0.000 0.823 1213 Y N -0.961 119.080 120.300 -0.432 0.000 3.825 1213 Y HA -0.268 4.282 4.550 0.000 0.000 0.221 1213 Y C 0.938 176.741 175.900 -0.161 0.000 1.195 1213 Y CA 0.370 58.307 58.100 -0.272 0.000 1.699 1213 Y CB -2.853 35.464 38.460 -0.239 0.000 1.531 1213 Y HN 0.449 nan 8.280 nan 0.000 0.640 1214 Q N 0.786 120.571 119.800 -0.025 0.000 2.326 1214 Q HA 0.227 4.567 4.340 0.000 0.000 0.314 1214 Q C 1.515 177.511 176.000 -0.007 0.000 1.091 1214 Q CA 1.647 57.457 55.803 0.013 0.000 0.974 1214 Q CB 0.291 29.054 28.738 0.041 0.000 1.220 1214 Q HN 0.847 nan 8.270 nan 0.000 0.398 1215 G N 2.736 111.533 108.800 -0.006 0.000 2.179 1215 G HA2 -0.247 3.713 3.960 0.000 0.000 0.260 1215 G HA3 -0.247 3.713 3.960 0.000 0.000 0.260 1215 G C -0.110 174.762 174.900 -0.046 0.000 0.977 1215 G CA 0.127 45.212 45.100 -0.025 0.000 0.641 1215 G HN 0.495 nan 8.290 nan 0.000 0.533 1216 L N 1.856 123.053 121.223 -0.043 0.000 2.329 1216 L HA 0.582 4.922 4.340 0.000 0.000 0.279 1216 L C 1.189 178.043 176.870 -0.026 0.000 1.014 1216 L CA -0.243 54.560 54.840 -0.061 0.000 0.814 1216 L CB 1.804 43.799 42.059 -0.106 0.000 1.257 1216 L HN 0.407 nan 8.230 nan 0.000 0.424 1217 S N 1.452 117.136 115.700 -0.027 0.000 2.603 1217 S HA 0.128 4.598 4.470 0.000 0.000 0.268 1217 S C 0.920 175.514 174.600 -0.011 0.000 1.317 1217 S CA -0.662 57.532 58.200 -0.009 0.000 1.012 1217 S CB 0.956 64.151 63.200 -0.009 0.000 0.926 1217 S HN 0.596 nan 8.310 nan 0.000 0.539 1218 N N 1.304 120.007 118.700 0.006 0.000 2.137 1218 N HA -0.156 4.584 4.740 0.000 0.000 0.190 1218 N C 1.527 177.030 175.510 -0.012 0.000 1.017 1218 N CA 1.566 54.619 53.050 0.007 0.000 0.859 1218 N CB -0.503 38.001 38.487 0.028 0.000 1.002 1218 N HN 0.825 nan 8.380 nan 0.000 0.428 1219 E N 0.673 120.868 120.200 -0.009 0.000 2.152 1219 E HA -0.125 4.225 4.350 0.000 0.000 0.192 1219 E C 1.685 178.274 176.600 -0.018 0.000 0.983 1219 E CA 0.671 57.063 56.400 -0.012 0.000 0.818 1219 E CB 0.146 29.842 29.700 -0.006 0.000 0.758 1219 E HN 0.437 nan 8.360 nan 0.000 0.467 1220 Q N -0.181 119.605 119.800 -0.024 0.000 2.046 1220 Q HA -0.117 4.223 4.340 0.000 0.000 0.200 1220 Q C 2.288 178.272 176.000 -0.027 0.000 0.975 1220 Q CA 1.315 57.102 55.803 -0.026 0.000 0.836 1220 Q CB 0.146 28.854 28.738 -0.050 0.000 0.896 1220 Q HN 0.129 nan 8.270 nan 0.000 0.428 1221 V N 1.205 121.072 119.914 -0.078 0.000 2.324 1221 V HA -0.277 3.843 4.120 0.000 0.000 0.250 1221 V C 2.197 178.206 176.094 -0.143 0.000 1.060 1221 V CA 1.251 63.447 62.300 -0.172 0.000 1.042 1221 V CB -0.593 31.090 31.823 -0.234 0.000 0.650 1221 V HN 0.412 nan 8.190 nan 0.000 0.450 1222 L N 0.671 121.840 121.223 -0.089 0.000 1.956 1222 L HA -0.189 4.151 4.340 0.000 0.000 0.216 1222 L C 2.846 179.676 176.870 -0.067 0.000 1.073 1222 L CA 2.203 56.996 54.840 -0.078 0.000 0.762 1222 L CB -1.231 40.800 42.059 -0.045 0.000 0.889 1222 L HN 0.366 nan 8.230 nan 0.000 0.433 1223 R N -1.063 119.422 120.500 -0.025 0.000 2.073 1223 R HA -0.232 4.108 4.340 0.000 0.000 0.234 1223 R C 2.204 178.510 176.300 0.009 0.000 1.134 1223 R CA 1.554 57.650 56.100 -0.006 0.000 0.952 1223 R CB -1.575 28.736 30.300 0.018 0.000 0.850 1223 R HN 0.334 nan 8.270 nan 0.000 0.433 1224 F N 2.224 122.103 119.950 -0.120 0.000 2.120 1224 F HA -0.206 4.321 4.527 0.000 0.000 0.300 1224 F C 2.165 177.900 175.800 -0.109 0.000 1.095 1224 F CA 1.296 59.228 58.000 -0.114 0.000 1.249 1224 F CB -0.149 38.762 39.000 -0.148 0.000 0.995 1224 F HN -0.260 nan 8.300 nan 0.000 0.480 1225 V N 0.205 119.976 119.914 -0.237 0.000 2.488 1225 V HA -0.278 3.842 4.120 0.000 0.000 0.246 1225 V C 2.383 178.371 176.094 -0.178 0.000 1.046 1225 V CA 1.904 64.036 62.300 -0.281 0.000 1.053 1225 V CB -0.586 31.078 31.823 -0.266 0.000 0.679 1225 V HN 0.338 nan 8.190 nan 0.000 0.458 1226 M N -0.337 119.183 119.600 -0.134 0.000 2.213 1226 M HA -0.142 4.338 4.480 0.000 0.000 0.263 1226 M C 1.735 178.078 176.300 0.071 0.000 1.062 1226 M CA 1.634 56.906 55.300 -0.046 0.000 1.105 1226 M CB -0.278 32.285 32.600 -0.062 0.000 1.385 1226 M HN 0.366 nan 8.290 nan 0.000 0.417 1227 E N -0.656 119.517 120.200 -0.045 0.000 2.465 1227 E HA 0.153 4.503 4.350 0.000 0.000 0.191 1227 E C 0.985 177.488 176.600 -0.162 0.000 1.053 1227 E CA 0.309 56.653 56.400 -0.094 0.000 0.869 1227 E CB 0.434 30.082 29.700 -0.086 0.000 0.977 1227 E HN 0.654 nan 8.360 nan 0.000 0.483 1228 G N 1.083 109.818 108.800 -0.108 0.000 2.192 1228 G HA2 -0.196 3.764 3.960 0.000 0.000 0.193 1228 G HA3 -0.196 3.764 3.960 0.000 0.000 0.193 1228 G C 0.593 175.367 174.900 -0.210 0.000 0.999 1228 G CA -0.494 44.551 45.100 -0.091 0.000 0.659 1228 G HN 0.443 nan 8.290 nan 0.000 0.503 1229 G N -0.224 108.214 108.800 -0.604 0.000 2.562 1229 G HA2 0.488 4.448 3.960 0.000 0.000 0.233 1229 G HA3 0.488 4.448 3.960 0.000 0.000 0.233 1229 G C 0.023 174.635 174.900 -0.479 0.000 1.266 1229 G CA 0.272 44.639 45.100 -1.223 0.000 0.852 1229 G HN 0.816 nan 8.290 nan 0.000 0.581 1230 L N 0.175 121.322 121.223 -0.128 0.000 2.376 1230 L HA 0.390 4.730 4.340 0.000 0.000 0.258 1230 L C -0.115 176.837 176.870 0.136 0.000 1.013 1230 L CA -1.023 53.818 54.840 0.003 0.000 0.822 1230 L CB 2.156 44.279 42.059 0.106 0.000 1.388 1230 L HN 0.330 nan 8.230 nan 0.000 0.413 1231 L N 1.633 122.694 121.223 -0.271 0.000 2.453 1231 L HA 0.115 4.455 4.340 0.000 0.000 0.272 1231 L C -0.245 176.739 176.870 0.190 0.000 1.182 1231 L CA -0.228 54.410 54.840 -0.336 0.000 0.858 1231 L CB 0.150 41.546 42.059 -1.106 0.000 1.120 1231 L HN 0.441 nan 8.230 nan 0.000 0.474 1232 D N 2.667 123.185 120.400 0.196 0.000 2.341 1232 D HA 0.046 4.686 4.640 0.000 0.000 0.245 1232 D C 0.142 176.550 176.300 0.180 0.000 1.106 1232 D CA -0.320 53.806 54.000 0.210 0.000 0.905 1232 D CB 0.825 41.690 40.800 0.108 0.000 1.202 1232 D HN 0.313 nan 8.370 nan 0.000 0.426 1233 K N 2.154 122.362 120.400 -0.319 0.000 2.472 1233 K HA 0.072 4.392 4.320 0.000 0.000 0.280 1233 K C -2.328 174.102 176.600 -0.283 0.000 1.028 1233 K CA -0.973 54.822 56.287 -0.820 0.000 1.045 1233 K CB 0.155 31.822 32.500 -1.389 0.000 0.902 1233 K HN 0.059 nan 8.250 nan 0.000 0.478 1234 P HA -0.029 nan 4.420 nan 0.000 0.267 1234 P C -1.042 176.142 177.300 -0.194 0.000 1.200 1234 P CA 0.031 62.998 63.100 -0.222 0.000 0.772 1234 P CB 0.426 31.901 31.700 -0.377 0.000 0.855 1235 D N 2.789 123.098 120.400 -0.152 0.000 2.458 1235 D HA -0.036 4.604 4.640 0.000 0.000 0.243 1235 D C 0.650 176.873 176.300 -0.129 0.000 1.146 1235 D CA 0.734 54.660 54.000 -0.123 0.000 0.877 1235 D CB -0.110 40.633 40.800 -0.095 0.000 1.176 1235 D HN 0.505 nan 8.370 nan 0.000 0.461 1236 N N -0.501 118.134 118.700 -0.110 0.000 2.979 1236 N HA -0.183 4.557 4.740 0.000 0.000 0.234 1236 N C -0.105 175.343 175.510 -0.103 0.000 0.938 1236 N CA 0.080 53.071 53.050 -0.098 0.000 0.961 1236 N CB -1.151 37.278 38.487 -0.098 0.000 1.089 1236 N HN 0.411 nan 8.380 nan 0.000 0.576 1237 C N 2.403 121.630 119.300 -0.121 0.000 2.394 1237 C HA 0.371 4.831 4.460 0.000 0.000 0.362 1237 C C -1.930 173.023 174.990 -0.062 0.000 1.268 1237 C CA -1.519 57.437 59.018 -0.104 0.000 1.828 1237 C CB -0.188 27.477 27.740 -0.124 0.000 2.442 1237 C HN 0.122 nan 8.230 nan 0.000 0.549 1238 P HA 0.118 nan 4.420 nan 0.000 0.265 1238 P C 0.222 177.531 177.300 0.015 0.000 1.193 1238 P CA 0.436 63.524 63.100 -0.019 0.000 0.765 1238 P CB 0.552 32.239 31.700 -0.023 0.000 0.823 1239 D N 1.954 122.369 120.400 0.024 0.000 2.158 1239 D HA -0.196 4.444 4.640 0.000 0.000 0.197 1239 D C 1.683 178.029 176.300 0.076 0.000 0.995 1239 D CA 1.152 55.194 54.000 0.070 0.000 0.846 1239 D CB -0.382 40.451 40.800 0.054 0.000 0.941 1239 D HN 0.369 nan 8.370 nan 0.000 0.456 1240 M N 0.079 119.698 119.600 0.031 0.000 2.108 1240 M HA -0.152 4.328 4.480 0.000 0.000 0.261 1240 M C 1.838 178.137 176.300 -0.002 0.000 1.066 1240 M CA 1.256 56.562 55.300 0.009 0.000 1.107 1240 M CB -0.285 32.312 32.600 -0.005 0.000 1.356 1240 M HN 0.138 nan 8.290 nan 0.000 0.406 1241 L N 0.201 121.429 121.223 0.007 0.000 2.072 1241 L HA -0.118 4.222 4.340 0.000 0.000 0.205 1241 L C 2.181 179.045 176.870 -0.011 0.000 1.079 1241 L CA 1.610 56.440 54.840 -0.017 0.000 0.752 1241 L CB -1.133 40.913 42.059 -0.021 0.000 0.906 1241 L HN 0.343 nan 8.230 nan 0.000 0.436 1242 F N 0.197 120.093 119.950 -0.091 0.000 2.234 1242 F HA -0.147 4.380 4.527 0.000 0.000 0.299 1242 F C 2.301 178.029 175.800 -0.119 0.000 1.087 1242 F CA 1.348 59.295 58.000 -0.089 0.000 1.340 1242 F CB -0.051 38.936 39.000 -0.022 0.000 1.031 1242 F HN 0.135 nan 8.300 nan 0.000 0.500 1243 E N 0.414 120.559 120.200 -0.091 0.000 2.150 1243 E HA -0.146 4.204 4.350 0.000 0.000 0.193 1243 E C 2.352 178.804 176.600 -0.247 0.000 0.985 1243 E CA 0.799 57.097 56.400 -0.169 0.000 0.814 1243 E CB -0.507 29.167 29.700 -0.044 0.000 0.752 1243 E HN 0.469 nan 8.360 nan 0.000 0.466 1244 L N -0.325 120.772 121.223 -0.209 0.000 2.093 1244 L HA -0.172 4.168 4.340 0.000 0.000 0.208 1244 L C 2.044 178.684 176.870 -0.384 0.000 1.085 1244 L CA 1.087 55.803 54.840 -0.206 0.000 0.755 1244 L CB -0.145 41.846 42.059 -0.114 0.000 0.904 1244 L HN 0.299 nan 8.230 nan 0.000 0.435 1245 M N -0.905 118.335 119.600 -0.600 0.000 2.067 1245 M HA -0.253 4.227 4.480 0.000 0.000 0.260 1245 M C 2.291 177.812 176.300 -1.300 0.000 1.069 1245 M CA 1.830 56.437 55.300 -1.155 0.000 1.117 1245 M CB -0.519 31.273 32.600 -1.346 0.000 1.334 1245 M HN 0.122 nan 8.290 nan 0.000 0.407 1246 R N 0.075 120.026 120.500 -0.915 0.000 2.105 1246 R HA -0.116 4.224 4.340 0.000 0.000 0.239 1246 R C 2.151 178.286 176.300 -0.275 0.000 1.135 1246 R CA 1.555 57.355 56.100 -0.500 0.000 0.967 1246 R CB -0.424 29.629 30.300 -0.412 0.000 0.861 1246 R HN 0.444 nan 8.270 nan 0.000 0.442 1247 M N -0.377 119.053 119.600 -0.283 0.000 2.067 1247 M HA -0.200 4.280 4.480 0.000 0.000 0.260 1247 M C 2.409 178.630 176.300 -0.130 0.000 1.069 1247 M CA 1.416 56.624 55.300 -0.152 0.000 1.117 1247 M CB -0.410 32.114 32.600 -0.127 0.000 1.334 1247 M HN 0.219 nan 8.290 nan 0.000 0.407 1248 C N -0.682 118.462 119.300 -0.261 0.000 2.430 1248 C HA -0.137 4.323 4.460 0.000 0.000 0.288 1248 C C 1.555 176.534 174.990 -0.018 0.000 1.448 1248 C CA 0.244 59.154 59.018 -0.180 0.000 1.784 1248 C CB -1.335 26.236 27.740 -0.281 0.000 1.776 1248 C HN 0.660 nan 8.230 nan 0.000 0.547 1249 W N -0.160 121.061 121.300 -0.132 0.000 3.123 1249 W HA 0.303 4.963 4.660 0.000 0.000 0.383 1249 W C 0.519 177.137 176.519 0.164 0.000 1.102 1249 W CA -0.739 56.517 57.345 -0.149 0.000 1.865 1249 W CB -0.991 28.172 29.460 -0.495 0.000 1.111 1249 W HN 0.257 nan 8.180 nan 0.000 0.621 1250 Q N 0.548 120.521 119.800 0.287 0.000 2.304 1250 Q HA -0.168 4.172 4.340 0.000 0.000 0.315 1250 Q C 1.030 177.210 176.000 0.300 0.000 1.075 1250 Q CA 0.535 56.477 55.803 0.233 0.000 0.988 1250 Q CB 0.401 29.212 28.738 0.121 0.000 1.146 1250 Q HN 0.368 nan 8.270 nan 0.000 0.383 1251 Y N 3.437 123.827 120.300 0.150 0.000 2.089 1251 Y HA -0.232 4.318 4.550 0.000 0.000 0.282 1251 Y C 1.022 176.931 175.900 0.015 0.000 1.139 1251 Y CA 1.665 59.818 58.100 0.088 0.000 1.123 1251 Y CB 0.142 38.619 38.460 0.027 0.000 0.980 1251 Y HN 0.699 nan 8.280 nan 0.000 0.493 1252 N N 1.497 120.315 118.700 0.196 0.000 2.438 1252 N HA 0.012 4.752 4.740 0.000 0.000 0.267 1252 N C -2.172 173.298 175.510 -0.067 0.000 1.222 1252 N CA -1.563 51.512 53.050 0.042 0.000 0.930 1252 N CB 1.039 39.549 38.487 0.038 0.000 1.083 1252 N HN 0.046 nan 8.380 nan 0.000 0.476 1253 P HA -0.150 nan 4.420 nan 0.000 0.218 1253 P C 0.586 177.574 177.300 -0.520 0.000 1.148 1253 P CA 1.527 64.473 63.100 -0.256 0.000 0.822 1253 P CB 0.197 31.724 31.700 -0.288 0.000 0.784 1254 K N -1.252 118.816 120.400 -0.554 0.000 2.360 1254 K HA -0.028 4.292 4.320 0.000 0.000 0.201 1254 K C 1.587 178.055 176.600 -0.220 0.000 1.046 1254 K CA 0.911 56.886 56.287 -0.521 0.000 0.945 1254 K CB -0.285 32.037 32.500 -0.296 0.000 0.750 1254 K HN 0.147 nan 8.250 nan 0.000 0.464 1255 M N 0.593 120.113 119.600 -0.134 0.000 2.556 1255 M HA 0.030 4.510 4.480 0.000 0.000 0.245 1255 M C 0.367 176.660 176.300 -0.012 0.000 1.128 1255 M CA 0.710 55.984 55.300 -0.044 0.000 1.069 1255 M CB -0.173 32.422 32.600 -0.009 0.000 1.469 1255 M HN -0.006 nan 8.290 nan 0.000 0.494 1256 R N 0.659 121.157 120.500 -0.003 0.000 2.577 1256 R HA 0.375 4.715 4.340 0.000 0.000 0.269 1256 R C -2.252 174.061 176.300 0.022 0.000 1.084 1256 R CA -1.635 54.484 56.100 0.032 0.000 1.163 1256 R CB -0.591 29.763 30.300 0.090 0.000 1.100 1256 R HN -0.027 nan 8.270 nan 0.000 0.547 1257 P HA -0.008 nan 4.420 nan 0.000 0.272 1257 P C -0.516 176.732 177.300 -0.086 0.000 1.240 1257 P CA -0.269 62.807 63.100 -0.041 0.000 0.791 1257 P CB 0.649 32.310 31.700 -0.066 0.000 0.978 1258 S N -0.064 115.594 115.700 -0.069 0.000 2.672 1258 S HA 0.306 4.776 4.470 0.000 0.000 0.276 1258 S C 0.837 175.335 174.600 -0.171 0.000 1.207 1258 S CA -0.342 57.787 58.200 -0.118 0.000 1.002 1258 S CB 0.060 63.265 63.200 0.009 0.000 0.998 1258 S HN 0.166 nan 8.310 nan 0.000 0.542 1259 F N 0.530 120.460 119.950 -0.034 0.000 2.126 1259 F HA -0.032 4.495 4.527 0.000 0.000 0.299 1259 F C 2.128 177.925 175.800 -0.006 0.000 1.096 1259 F CA 1.168 59.107 58.000 -0.102 0.000 1.255 1259 F CB -0.878 38.062 39.000 -0.101 0.000 0.997 1259 F HN 0.479 nan 8.300 nan 0.000 0.479 1260 L N -0.432 120.946 121.223 0.258 0.000 2.046 1260 L HA -0.227 4.113 4.340 0.000 0.000 0.208 1260 L C 2.350 179.338 176.870 0.197 0.000 1.077 1260 L CA 1.502 56.515 54.840 0.288 0.000 0.747 1260 L CB -0.679 41.538 42.059 0.264 0.000 0.896 1260 L HN 0.193 nan 8.230 nan 0.000 0.432 1261 E N 0.252 120.516 120.200 0.106 0.000 2.077 1261 E HA -0.216 4.134 4.350 0.000 0.000 0.193 1261 E C 2.281 178.895 176.600 0.023 0.000 0.989 1261 E CA 1.187 57.624 56.400 0.061 0.000 0.800 1261 E CB -0.104 29.614 29.700 0.030 0.000 0.746 1261 E HN 0.459 nan 8.360 nan 0.000 0.452 1262 I N 1.055 121.625 120.570 0.000 0.000 2.118 1262 I HA -0.328 3.842 4.170 0.000 0.000 0.241 1262 I C 2.380 178.479 176.117 -0.030 0.000 1.070 1262 I CA 1.324 62.617 61.300 -0.012 0.000 1.327 1262 I CB -0.331 37.645 38.000 -0.041 0.000 1.034 1262 I HN 0.118 nan 8.210 nan 0.000 0.405 1263 I N -0.062 120.482 120.570 -0.044 0.000 2.286 1263 I HA -0.290 3.880 4.170 0.000 0.000 0.248 1263 I C 2.771 178.698 176.117 -0.316 0.000 1.115 1263 I CA 1.420 62.610 61.300 -0.183 0.000 1.392 1263 I CB -0.425 37.456 38.000 -0.199 0.000 1.065 1263 I HN 0.246 nan 8.210 nan 0.000 0.418 1264 S N 0.833 116.412 115.700 -0.201 0.000 2.383 1264 S HA -0.195 4.275 4.470 0.000 0.000 0.229 1264 S C 2.142 176.695 174.600 -0.079 0.000 1.030 1264 S CA 1.939 60.063 58.200 -0.125 0.000 1.002 1264 S CB -0.378 62.872 63.200 0.083 0.000 0.829 1264 S HN 0.590 nan 8.310 nan 0.000 0.467 1265 S N 1.039 116.704 115.700 -0.058 0.000 2.561 1265 S HA 0.151 4.621 4.470 0.000 0.000 0.225 1265 S C 1.487 176.058 174.600 -0.049 0.000 0.977 1265 S CA 0.480 58.659 58.200 -0.034 0.000 0.926 1265 S CB -0.629 62.559 63.200 -0.020 0.000 0.769 1265 S HN 0.874 nan 8.310 nan 0.000 0.533 1266 I N -1.931 118.587 120.570 -0.088 0.000 4.442 1266 I HA 0.362 4.532 4.170 0.000 0.000 0.331 1266 I C 1.450 177.484 176.117 -0.138 0.000 1.364 1266 I CA -0.446 60.796 61.300 -0.096 0.000 1.207 1266 I CB 0.120 38.063 38.000 -0.095 0.000 1.298 1266 I HN 0.113 nan 8.210 nan 0.000 0.463 1267 K N 0.993 121.298 120.400 -0.159 0.000 2.209 1267 K HA -0.034 4.286 4.320 0.000 0.000 0.204 1267 K C 1.161 177.749 176.600 -0.021 0.000 1.048 1267 K CA 1.361 57.554 56.287 -0.157 0.000 0.940 1267 K CB -0.186 32.206 32.500 -0.180 0.000 0.729 1267 K HN 0.221 nan 8.250 nan 0.000 0.451 1268 E N 0.972 121.171 120.200 -0.002 0.000 2.502 1268 E HA -0.052 4.298 4.350 0.000 0.000 0.194 1268 E C 0.445 177.043 176.600 -0.004 0.000 1.062 1268 E CA 0.656 57.071 56.400 0.026 0.000 0.867 1268 E CB 0.475 30.195 29.700 0.034 0.000 0.888 1268 E HN 0.481 nan 8.360 nan 0.000 0.510 1269 E N -0.577 119.598 120.200 -0.042 0.000 2.538 1269 E HA 0.133 4.483 4.350 0.000 0.000 0.207 1269 E C 0.017 176.573 176.600 -0.073 0.000 1.002 1269 E CA -0.098 56.274 56.400 -0.047 0.000 0.952 1269 E CB 0.444 30.115 29.700 -0.049 0.000 1.031 1269 E HN 0.006 nan 8.360 nan 0.000 0.476 1270 M N 0.928 120.463 119.600 -0.109 0.000 2.288 1270 M HA 0.234 4.714 4.480 0.000 0.000 0.334 1270 M C 0.460 176.745 176.300 -0.025 0.000 1.150 1270 M CA -0.588 54.617 55.300 -0.158 0.000 1.118 1270 M CB 0.679 33.022 32.600 -0.429 0.000 1.501 1270 M HN -0.128 nan 8.290 nan 0.000 0.462 1271 E N 2.493 122.702 120.200 0.016 0.000 2.537 1271 E HA -0.080 4.270 4.350 0.000 0.000 0.269 1271 E C -1.567 175.107 176.600 0.124 0.000 1.038 1271 E CA -0.465 55.984 56.400 0.081 0.000 0.977 1271 E CB 0.058 29.828 29.700 0.118 0.000 0.973 1271 E HN 0.352 nan 8.360 nan 0.000 0.456 1272 P HA -0.115 nan 4.420 nan 0.000 0.215 1272 P C 1.123 178.487 177.300 0.106 0.000 1.153 1272 P CA 1.740 64.889 63.100 0.081 0.000 0.853 1272 P CB 0.125 31.854 31.700 0.049 0.000 0.788 1273 G N -1.206 107.667 108.800 0.122 0.000 2.462 1273 G HA2 -0.298 3.662 3.960 0.000 0.000 0.220 1273 G HA3 -0.298 3.662 3.960 0.000 0.000 0.220 1273 G C 1.356 176.351 174.900 0.159 0.000 1.121 1273 G CA 0.183 45.348 45.100 0.108 0.000 0.758 1273 G HN 0.145 nan 8.290 nan 0.000 0.559 1274 F N 1.712 121.727 119.950 0.108 0.000 2.063 1274 F HA -0.235 4.292 4.527 0.000 0.000 0.298 1274 F C 2.730 178.651 175.800 0.202 0.000 1.109 1274 F CA 2.183 60.302 58.000 0.198 0.000 1.212 1274 F CB -0.256 38.875 39.000 0.218 0.000 0.973 1274 F HN 0.179 nan 8.300 nan 0.000 0.480 1275 R N 0.750 121.348 120.500 0.164 0.000 2.170 1275 R HA -0.221 4.119 4.340 0.000 0.000 0.242 1275 R C 1.725 177.961 176.300 -0.106 0.000 1.145 1275 R CA 2.039 58.044 56.100 -0.158 0.000 0.984 1275 R CB -0.555 29.488 30.300 -0.429 0.000 0.869 1275 R HN 0.651 nan 8.270 nan 0.000 0.455 1276 E N -0.590 119.565 120.200 -0.075 0.000 2.498 1276 E HA 0.015 4.365 4.350 0.000 0.000 0.203 1276 E C 1.008 177.535 176.600 -0.121 0.000 1.013 1276 E CA 0.500 56.850 56.400 -0.084 0.000 0.927 1276 E CB 0.940 30.595 29.700 -0.076 0.000 1.012 1276 E HN 0.337 nan 8.360 nan 0.000 0.482 1277 V N -2.014 117.802 119.914 -0.164 0.000 3.497 1277 V HA 0.203 4.323 4.120 0.000 0.000 0.272 1277 V C 0.829 176.806 176.094 -0.196 0.000 1.474 1277 V CA 0.179 62.314 62.300 -0.274 0.000 1.025 1277 V CB 0.399 31.867 31.823 -0.592 0.000 0.820 1277 V HN 0.210 nan 8.190 nan 0.000 0.437 1278 S N 0.150 115.716 115.700 -0.224 0.000 2.603 1278 S HA 0.375 4.845 4.470 0.000 0.000 0.268 1278 S C 0.690 175.306 174.600 0.026 0.000 1.317 1278 S CA 0.252 58.320 58.200 -0.220 0.000 1.012 1278 S CB 1.010 63.647 63.200 -0.938 0.000 0.926 1278 S HN 0.566 nan 8.310 nan 0.000 0.539 1279 F N 2.193 122.163 119.950 0.035 0.000 2.293 1279 F HA 0.035 4.562 4.527 0.000 0.000 0.297 1279 F C 1.868 177.732 175.800 0.107 0.000 1.089 1279 F CA 0.979 59.042 58.000 0.105 0.000 1.377 1279 F CB -0.659 38.466 39.000 0.208 0.000 1.051 1279 F HN 0.827 nan 8.300 nan 0.000 0.511 1280 Y N 0.247 120.477 120.300 -0.117 0.000 2.114 1280 Y HA -0.326 4.224 4.550 0.000 0.000 0.282 1280 Y C 1.227 176.899 175.900 -0.380 0.000 1.165 1280 Y CA 2.231 60.161 58.100 -0.284 0.000 1.148 1280 Y CB -0.836 37.543 38.460 -0.135 0.000 0.972 1280 Y HN 0.167 nan 8.280 nan 0.000 0.504 1281 Y N 0.524 120.808 120.300 -0.026 0.000 2.596 1281 Y HA 0.175 4.725 4.550 0.000 0.000 0.316 1281 Y C 0.643 176.462 175.900 -0.134 0.000 1.156 1281 Y CA -0.313 57.749 58.100 -0.064 0.000 1.300 1281 Y CB -0.085 38.403 38.460 0.046 0.000 1.130 1281 Y HN 0.021 nan 8.280 nan 0.000 0.518 1282 S N -1.785 113.848 115.700 -0.111 0.000 2.664 1282 S HA 0.257 4.727 4.470 0.000 0.000 0.304 1282 S C 0.909 175.433 174.600 -0.126 0.000 1.099 1282 S CA -0.877 57.273 58.200 -0.084 0.000 1.003 1282 S CB 1.692 64.867 63.200 -0.041 0.000 1.092 1282 S HN 0.139 nan 8.310 nan 0.000 0.525 1283 E N 1.667 121.835 120.200 -0.053 0.000 2.058 1283 E HA -0.180 4.170 4.350 0.000 0.000 0.194 1283 E C 1.727 178.297 176.600 -0.051 0.000 0.997 1283 E CA 1.663 58.037 56.400 -0.043 0.000 0.801 1283 E CB -0.719 28.976 29.700 -0.007 0.000 0.746 1283 E HN 0.845 nan 8.360 nan 0.000 0.450 1284 E N 0.919 121.117 120.200 -0.004 0.000 2.136 1284 E HA -0.208 4.142 4.350 0.000 0.000 0.208 1284 E C 1.231 177.808 176.600 -0.038 0.000 1.035 1284 E CA 1.021 57.457 56.400 0.060 0.000 0.838 1284 E CB -0.225 29.632 29.700 0.262 0.000 0.748 1284 E HN 0.094 nan 8.360 nan 0.000 0.459 1285 N N 0.000 118.516 118.700 -0.306 0.000 1.763 1285 N HA 0.000 4.740 4.740 0.000 0.000 0.220 1285 N CA 0.000 52.786 53.050 -0.439 0.000 0.885 1285 N CB 0.000 37.945 38.487 -0.903 0.000 1.341 1285 N HN 0.000 nan 8.380 nan 0.000 0.667