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_E 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 0.000 174.691 174.600 0.152 0.000 1.055 980 S CA 0.000 58.260 58.200 0.100 0.000 1.107 980 S CB 0.000 63.247 63.200 0.079 0.000 0.593 981 F N 2.966 122.922 119.950 0.010 0.000 2.456 981 F HA 0.664 5.191 4.527 0.000 0.000 0.358 981 F C 0.687 176.501 175.800 0.023 0.000 1.095 981 F CA 0.790 58.800 58.000 0.016 0.000 1.216 981 F CB 1.002 40.010 39.000 0.014 0.000 1.125 981 F HN 0.953 nan 8.300 nan 0.000 0.549 982 S N 3.079 118.599 115.700 -0.299 0.000 2.607 982 S HA 0.668 5.138 4.470 0.000 0.000 0.273 982 S C 0.415 174.879 174.600 -0.227 0.000 1.148 982 S CA -0.513 57.587 58.200 -0.167 0.000 0.833 982 S CB 1.190 64.338 63.200 -0.087 0.000 1.130 982 S HN 0.841 nan 8.310 nan 0.000 0.470 983 A N 1.451 124.230 122.820 -0.068 0.000 1.940 983 A HA -0.058 4.262 4.320 0.000 0.000 0.221 983 A C 2.301 179.925 177.584 0.066 0.000 1.190 983 A CA 2.630 54.706 52.037 0.066 0.000 0.647 983 A CB -1.716 17.267 19.000 -0.027 0.000 0.821 983 A HN 1.760 nan 8.150 nan 0.000 0.457 984 A N -1.083 121.716 122.820 -0.035 0.000 2.131 984 A HA -0.195 4.125 4.320 0.000 0.000 0.220 984 A C 1.723 179.265 177.584 -0.070 0.000 1.158 984 A CA 1.772 53.793 52.037 -0.027 0.000 0.665 984 A CB -0.445 18.532 19.000 -0.038 0.000 0.795 984 A HN 0.582 nan 8.150 nan 0.000 0.460 985 D N -1.264 119.013 120.400 -0.206 0.000 2.333 985 D HA 0.016 4.656 4.640 0.000 0.000 0.208 985 D C 1.840 178.010 176.300 -0.217 0.000 0.984 985 D CA 1.307 55.144 54.000 -0.271 0.000 0.873 985 D CB 0.618 41.072 40.800 -0.577 0.000 0.935 985 D HN 0.399 nan 8.370 nan 0.000 0.521 986 V N -1.240 118.544 119.914 -0.216 0.000 3.013 986 V HA -0.001 4.119 4.120 0.000 0.000 0.238 986 V C 1.428 177.398 176.094 -0.205 0.000 1.161 986 V CA 0.381 62.550 62.300 -0.218 0.000 1.170 986 V CB -0.453 31.178 31.823 -0.320 0.000 0.917 986 V HN -0.044 nan 8.190 nan 0.000 0.478 987 Y N 2.042 122.298 120.300 -0.075 0.000 2.583 987 Y HA 0.289 4.839 4.550 0.000 0.000 0.293 987 Y C 0.988 176.854 175.900 -0.057 0.000 1.157 987 Y CA 0.881 58.945 58.100 -0.060 0.000 1.315 987 Y CB -0.063 38.354 38.460 -0.071 0.000 1.021 987 Y HN 0.292 nan 8.280 nan 0.000 0.536 988 V N -0.899 119.059 119.914 0.074 0.000 2.417 988 V HA 0.437 4.557 4.120 0.000 0.000 0.291 988 V C -2.655 173.496 176.094 0.096 0.000 1.024 988 V CA -3.305 59.032 62.300 0.063 0.000 0.861 988 V CB 1.098 32.953 31.823 0.054 0.000 0.985 988 V HN -0.161 nan 8.190 nan 0.000 0.436 989 P HA 0.214 nan 4.420 nan 0.000 0.265 989 P C -0.011 177.387 177.300 0.164 0.000 1.222 989 P CA 0.066 63.264 63.100 0.162 0.000 0.767 989 P CB 0.363 32.211 31.700 0.246 0.000 0.801 990 D N 1.531 121.978 120.400 0.079 0.000 2.417 990 D HA -0.174 4.466 4.640 0.000 0.000 0.225 990 D C 0.962 177.281 176.300 0.033 0.000 0.983 990 D CA 0.946 54.982 54.000 0.059 0.000 0.949 990 D CB -0.063 40.755 40.800 0.030 0.000 0.879 990 D HN 0.549 nan 8.370 nan 0.000 0.520 991 E N -0.956 119.241 120.200 -0.005 0.000 2.485 991 E HA -0.079 4.271 4.350 0.000 0.000 0.194 991 E C 0.484 176.871 176.600 -0.354 0.000 1.098 991 E CA 0.285 56.585 56.400 -0.167 0.000 0.878 991 E CB -0.092 29.470 29.700 -0.230 0.000 0.939 991 E HN 0.618 nan 8.360 nan 0.000 0.503 992 W N 1.135 122.422 121.300 -0.022 0.000 2.714 992 W HA 0.180 4.840 4.660 0.000 0.000 0.353 992 W C 0.658 177.167 176.519 -0.016 0.000 0.999 992 W CA -0.657 56.675 57.345 -0.022 0.000 1.629 992 W CB 0.652 30.093 29.460 -0.030 0.000 1.106 992 W HN -0.082 nan 8.180 nan 0.000 0.545 993 E N 1.818 122.106 120.200 0.148 0.000 2.413 993 E HA 0.232 4.582 4.350 0.000 0.000 0.263 993 E C -0.426 176.212 176.600 0.063 0.000 1.015 993 E CA 0.262 56.717 56.400 0.092 0.000 0.916 993 E CB 0.937 30.669 29.700 0.053 0.000 0.947 993 E HN -0.090 nan 8.360 nan 0.000 0.440 994 V N 2.200 122.147 119.914 0.056 0.000 3.012 994 V HA 0.764 4.884 4.120 0.000 0.000 0.307 994 V C -1.204 174.906 176.094 0.027 0.000 1.166 994 V CA -0.260 62.062 62.300 0.037 0.000 0.974 994 V CB 1.837 33.687 31.823 0.045 0.000 1.040 994 V HN 0.860 nan 8.190 nan 0.000 0.428 995 A N 4.606 127.437 122.820 0.017 0.000 2.404 995 A HA 0.469 4.790 4.320 0.000 0.000 0.273 995 A C 1.133 178.722 177.584 0.008 0.000 1.144 995 A CA 0.315 52.359 52.037 0.012 0.000 0.806 995 A CB 0.118 19.123 19.000 0.008 0.000 1.080 995 A HN 1.172 nan 8.150 nan 0.000 0.509 996 R N 1.534 122.036 120.500 0.004 0.000 2.204 996 R HA -0.223 4.117 4.340 0.000 0.000 0.253 996 R C 1.699 177.996 176.300 -0.006 0.000 1.172 996 R CA 2.245 58.343 56.100 -0.004 0.000 0.994 996 R CB -0.017 30.278 30.300 -0.009 0.000 0.874 996 R HN 0.923 nan 8.270 nan 0.000 0.462 997 E N 0.404 120.603 120.200 -0.002 0.000 2.107 997 E HA -0.204 4.146 4.350 0.000 0.000 0.191 997 E C 1.380 177.981 176.600 0.001 0.000 0.982 997 E CA 0.989 57.388 56.400 -0.001 0.000 0.809 997 E CB -0.282 29.418 29.700 0.000 0.000 0.756 997 E HN 0.359 nan 8.360 nan 0.000 0.459 998 K N 0.171 120.574 120.400 0.004 0.000 2.360 998 K HA -0.006 4.314 4.320 0.000 0.000 0.201 998 K C 0.438 177.043 176.600 0.008 0.000 1.046 998 K CA 0.439 56.730 56.287 0.007 0.000 0.945 998 K CB 0.106 32.611 32.500 0.010 0.000 0.750 998 K HN 0.125 nan 8.250 nan 0.000 0.464 999 I N 0.811 121.383 120.570 0.005 0.000 2.392 999 I HA 0.089 4.259 4.170 0.000 0.000 0.295 999 I C 0.320 176.436 176.117 -0.002 0.000 0.985 999 I CA -0.426 60.877 61.300 0.004 0.000 1.221 999 I CB 1.402 39.403 38.000 0.001 0.000 1.366 999 I HN -0.184 nan 8.210 nan 0.000 0.467 1000 T N 6.345 120.902 114.554 0.004 0.000 2.949 1000 T HA 0.586 4.936 4.350 0.000 0.000 0.300 1000 T C -0.493 174.216 174.700 0.016 0.000 0.988 1000 T CA -0.621 61.481 62.100 0.004 0.000 0.993 1000 T CB 0.581 69.455 68.868 0.010 0.000 0.984 1000 T HN 0.397 nan 8.240 nan 0.000 0.442 1001 M N 3.792 123.394 119.600 0.004 0.000 2.255 1001 M HA 0.399 4.879 4.480 0.000 0.000 0.336 1001 M C 1.349 177.707 176.300 0.097 0.000 1.135 1001 M CA -0.266 55.064 55.300 0.050 0.000 1.145 1001 M CB 1.600 34.174 32.600 -0.044 0.000 1.473 1001 M HN 0.822 nan 8.290 nan 0.000 0.462 1002 S N 1.828 117.615 115.700 0.145 0.000 3.142 1002 S HA 0.348 4.818 4.470 0.000 0.000 0.223 1002 S C 0.040 174.712 174.600 0.119 0.000 0.939 1002 S CA -0.362 57.902 58.200 0.107 0.000 0.826 1002 S CB 0.484 63.724 63.200 0.067 0.000 0.823 1002 S HN 0.748 nan 8.310 nan 0.000 0.612 1003 R N 0.843 121.399 120.500 0.093 0.000 2.725 1003 R HA 0.607 4.947 4.340 0.000 0.000 0.277 1003 R C -1.367 174.847 176.300 -0.144 0.000 0.987 1003 R CA -0.799 55.300 56.100 -0.001 0.000 0.901 1003 R CB 1.041 31.330 30.300 -0.018 0.000 1.207 1003 R HN 0.205 nan 8.270 nan 0.000 0.463 1004 E N 1.815 121.800 120.200 -0.358 0.000 2.413 1004 E HA -0.010 4.340 4.350 0.000 0.000 0.263 1004 E C 0.060 176.504 176.600 -0.261 0.000 1.015 1004 E CA 0.070 56.127 56.400 -0.571 0.000 0.916 1004 E CB 0.864 30.238 29.700 -0.543 0.000 0.947 1004 E HN 0.512 nan 8.360 nan 0.000 0.440 1005 L N 1.527 122.625 121.223 -0.207 0.000 2.575 1005 L HA 0.272 4.612 4.340 0.000 0.000 0.228 1005 L C 0.950 177.774 176.870 -0.077 0.000 1.075 1005 L CA 0.363 55.147 54.840 -0.094 0.000 0.867 1005 L CB 0.387 42.423 42.059 -0.038 0.000 1.097 1005 L HN 0.791 nan 8.230 nan 0.000 0.485 1006 G N -0.758 107.984 108.800 -0.097 0.000 2.357 1006 G HA2 -0.001 3.959 3.960 0.000 0.000 0.289 1006 G HA3 -0.001 3.959 3.960 0.000 0.000 0.289 1006 G C -1.714 173.164 174.900 -0.038 0.000 1.302 1006 G CA -0.810 44.251 45.100 -0.064 0.000 0.936 1006 G HN -0.180 nan 8.290 nan 0.000 0.513 1007 Q N -0.338 119.448 119.800 -0.022 0.000 2.394 1007 Q HA 0.606 4.946 4.340 0.000 0.000 0.248 1007 Q C 0.537 176.545 176.000 0.013 0.000 0.992 1007 Q CA 1.008 56.808 55.803 -0.004 0.000 0.888 1007 Q CB 1.183 29.913 28.738 -0.013 0.000 1.257 1007 Q HN 1.339 nan 8.270 nan 0.000 0.462 1008 G N -0.137 108.683 108.800 0.034 0.000 2.563 1008 G HA2 0.397 4.357 3.960 0.000 0.000 0.302 1008 G HA3 0.397 4.357 3.960 0.000 0.000 0.302 1008 G C 0.460 175.386 174.900 0.043 0.000 1.301 1008 G CA -0.145 44.993 45.100 0.063 0.000 0.965 1008 G HN 0.710 nan 8.290 nan 0.000 0.480 1009 S N 0.276 115.996 115.700 0.033 0.000 2.393 1009 S HA -0.241 4.229 4.470 0.000 0.000 0.234 1009 S C 1.349 175.771 174.600 -0.297 0.000 1.064 1009 S CA 2.000 60.107 58.200 -0.155 0.000 1.088 1009 S CB -0.406 62.680 63.200 -0.190 0.000 0.939 1009 S HN 0.434 nan 8.310 nan 0.000 0.448 1010 F N 1.689 121.688 119.950 0.081 0.000 2.688 1010 F HA 0.608 5.135 4.527 0.000 0.000 0.310 1010 F C 1.326 177.054 175.800 -0.120 0.000 1.098 1010 F CA 0.031 58.018 58.000 -0.022 0.000 1.228 1010 F CB 1.219 40.185 39.000 -0.057 0.000 1.042 1010 F HN 0.614 nan 8.300 nan 0.000 0.557 1011 G N 0.156 109.006 108.800 0.084 0.000 2.356 1011 G HA2 0.365 4.325 3.960 0.000 0.000 0.281 1011 G HA3 0.365 4.325 3.960 0.000 0.000 0.281 1011 G C -1.873 173.070 174.900 0.071 0.000 1.246 1011 G CA -0.951 44.172 45.100 0.038 0.000 0.889 1011 G HN -0.094 nan 8.290 nan 0.000 0.486 1012 M N 1.267 120.927 119.600 0.101 0.000 2.205 1012 M HA 0.706 5.186 4.480 0.000 0.000 0.344 1012 M C -0.624 175.822 176.300 0.244 0.000 1.085 1012 M CA -0.549 54.840 55.300 0.149 0.000 1.001 1012 M CB 1.692 34.411 32.600 0.199 0.000 1.626 1012 M HN 0.406 nan 8.290 nan 0.000 0.442 1013 V N 6.406 126.415 119.914 0.159 0.000 2.546 1013 V HA 0.360 4.480 4.120 0.000 0.000 0.284 1013 V C -0.706 175.485 176.094 0.162 0.000 1.050 1013 V CA -0.252 62.158 62.300 0.184 0.000 0.981 1013 V CB 0.306 32.185 31.823 0.093 0.000 0.990 1013 V HN 0.829 nan 8.190 nan 0.000 0.474 1014 Y N 1.551 121.863 120.300 0.020 0.000 2.562 1014 Y HA 0.497 5.047 4.550 0.000 0.000 0.343 1014 Y C 0.356 176.265 175.900 0.015 0.000 1.025 1014 Y CA -0.828 57.281 58.100 0.014 0.000 1.082 1014 Y CB 1.891 40.359 38.460 0.013 0.000 1.264 1014 Y HN 0.610 nan 8.280 nan 0.000 0.478 1015 E N 0.666 120.950 120.200 0.140 0.000 2.248 1015 E HA 0.676 5.026 4.350 0.000 0.000 0.272 1015 E C -0.453 176.211 176.600 0.107 0.000 1.008 1015 E CA -0.380 56.075 56.400 0.092 0.000 0.856 1015 E CB 1.554 31.279 29.700 0.042 0.000 1.120 1015 E HN 0.870 nan 8.360 nan 0.000 0.397 1016 G N 0.625 109.469 108.800 0.073 0.000 2.341 1016 G HA2 0.331 4.291 3.960 0.000 0.000 0.299 1016 G HA3 0.331 4.291 3.960 0.000 0.000 0.299 1016 G C -1.659 173.266 174.900 0.042 0.000 1.274 1016 G CA -0.439 44.698 45.100 0.061 0.000 0.853 1016 G HN 0.456 nan 8.290 nan 0.000 0.493 1017 V N 0.226 120.161 119.914 0.034 0.000 2.588 1017 V HA 0.771 4.891 4.120 0.000 0.000 0.304 1017 V C 0.153 176.261 176.094 0.024 0.000 1.042 1017 V CA -0.253 62.063 62.300 0.027 0.000 0.877 1017 V CB 1.436 33.272 31.823 0.022 0.000 0.996 1017 V HN 1.631 nan 8.190 nan 0.000 0.425 1018 A N 4.364 127.199 122.820 0.025 0.000 2.267 1018 A HA 0.620 4.940 4.320 0.000 0.000 0.315 1018 A C -0.135 177.461 177.584 0.020 0.000 1.297 1018 A CA -0.661 51.390 52.037 0.024 0.000 0.865 1018 A CB 0.368 19.387 19.000 0.031 0.000 1.165 1018 A HN 0.785 nan 8.150 nan 0.000 0.513 1019 K N 1.282 121.692 120.400 0.016 0.000 2.297 1019 K HA 0.425 4.745 4.320 0.000 0.000 0.286 1019 K C 1.074 177.681 176.600 0.012 0.000 1.053 1019 K CA 0.786 57.080 56.287 0.013 0.000 0.940 1019 K CB 0.809 33.315 32.500 0.010 0.000 1.019 1019 K HN 1.381 nan 8.250 nan 0.000 0.475 1020 G N 1.413 110.219 108.800 0.010 0.000 2.148 1020 G HA2 -0.296 3.664 3.960 0.000 0.000 0.254 1020 G HA3 -0.296 3.664 3.960 0.000 0.000 0.254 1020 G C 0.690 175.594 174.900 0.007 0.000 0.981 1020 G CA 0.540 45.644 45.100 0.006 0.000 0.670 1020 G HN 0.533 nan 8.290 nan 0.000 0.528 1021 V N -2.723 117.200 119.914 0.015 0.000 2.649 1021 V HA 0.409 4.529 4.120 0.000 0.000 0.248 1021 V C 1.289 177.395 176.094 0.019 0.000 1.054 1021 V CA 1.117 63.430 62.300 0.022 0.000 1.073 1021 V CB 0.052 31.898 31.823 0.037 0.000 0.699 1021 V HN 0.542 nan 8.190 nan 0.000 0.463 1022 V N 2.274 122.198 119.914 0.017 0.000 2.394 1022 V HA 0.419 4.539 4.120 0.000 0.000 0.282 1022 V C -0.114 175.983 176.094 0.005 0.000 1.031 1022 V CA -1.181 61.129 62.300 0.015 0.000 0.881 1022 V CB 1.072 32.907 31.823 0.021 0.000 0.982 1022 V HN 0.486 nan 8.190 nan 0.000 0.451 1023 K N 4.057 124.456 120.400 -0.001 0.000 2.466 1023 K HA 0.161 4.481 4.320 0.000 0.000 0.278 1023 K C 0.325 176.923 176.600 -0.003 0.000 1.048 1023 K CA 0.421 56.705 56.287 -0.006 0.000 1.088 1023 K CB -0.286 32.206 32.500 -0.012 0.000 0.884 1023 K HN 0.683 nan 8.250 nan 0.000 0.478 1024 D N 0.641 121.039 120.400 -0.003 0.000 2.661 1024 D HA -0.156 4.484 4.640 0.000 0.000 0.183 1024 D C -0.878 175.423 176.300 0.002 0.000 0.935 1024 D CA 1.062 55.061 54.000 -0.001 0.000 1.004 1024 D CB -0.728 40.071 40.800 -0.002 0.000 1.053 1024 D HN 0.760 nan 8.370 nan 0.000 0.459 1025 E N -0.307 119.895 120.200 0.004 0.000 2.182 1025 E HA 0.315 4.665 4.350 0.000 0.000 0.258 1025 E C -1.888 174.716 176.600 0.007 0.000 0.879 1025 E CA -1.764 54.640 56.400 0.007 0.000 0.754 1025 E CB 1.896 31.603 29.700 0.011 0.000 1.162 1025 E HN -0.145 nan 8.360 nan 0.000 0.419 1026 P HA -0.165 nan 4.420 nan 0.000 0.216 1026 P C -0.537 176.768 177.300 0.008 0.000 1.153 1026 P CA 1.297 64.401 63.100 0.006 0.000 0.858 1026 P CB 0.335 32.039 31.700 0.006 0.000 0.789 1027 E N -2.000 118.206 120.200 0.010 0.000 2.317 1027 E HA 0.494 4.844 4.350 0.000 0.000 0.270 1027 E C -0.876 175.733 176.600 0.015 0.000 0.885 1027 E CA -0.544 55.864 56.400 0.013 0.000 0.760 1027 E CB 2.213 31.920 29.700 0.012 0.000 1.227 1027 E HN -0.211 nan 8.360 nan 0.000 0.434 1028 T N 1.363 115.928 114.554 0.018 0.000 2.916 1028 T HA 0.356 4.706 4.350 0.000 0.000 0.305 1028 T C -0.684 174.029 174.700 0.022 0.000 1.119 1028 T CA -0.888 61.224 62.100 0.020 0.000 1.008 1028 T CB 1.247 70.129 68.868 0.023 0.000 1.129 1028 T HN 0.262 nan 8.240 nan 0.000 0.480 1029 R N 1.579 122.091 120.500 0.020 0.000 2.298 1029 R HA 0.609 4.949 4.340 0.000 0.000 0.310 1029 R C -0.139 176.175 176.300 0.024 0.000 1.068 1029 R CA -0.566 55.546 56.100 0.020 0.000 0.957 1029 R CB 0.576 30.884 30.300 0.013 0.000 1.003 1029 R HN 0.500 nan 8.270 nan 0.000 0.454 1030 V N -1.250 118.683 119.914 0.031 0.000 3.078 1030 V HA 0.840 4.960 4.120 0.000 0.000 0.311 1030 V C -0.421 175.701 176.094 0.047 0.000 1.138 1030 V CA -1.333 60.990 62.300 0.038 0.000 1.007 1030 V CB 1.963 33.811 31.823 0.042 0.000 1.045 1030 V HN 0.813 nan 8.190 nan 0.000 0.432 1031 A N 3.527 126.377 122.820 0.050 0.000 2.310 1031 A HA 0.880 5.200 4.320 0.000 0.000 0.299 1031 A C -0.351 177.282 177.584 0.080 0.000 1.147 1031 A CA -0.631 51.446 52.037 0.067 0.000 0.818 1031 A CB 0.387 19.422 19.000 0.059 0.000 1.096 1031 A HN 0.955 nan 8.150 nan 0.000 0.495 1032 I N 1.443 122.078 120.570 0.109 0.000 2.447 1032 I HA 0.375 4.545 4.170 0.000 0.000 0.287 1032 I C -0.246 175.949 176.117 0.129 0.000 1.023 1032 I CA -0.553 60.805 61.300 0.096 0.000 1.083 1032 I CB 1.440 39.474 38.000 0.056 0.000 1.245 1032 I HN 0.758 nan 8.210 nan 0.000 0.434 1033 K N 4.392 124.865 120.400 0.122 0.000 2.130 1033 K HA 0.561 4.881 4.320 0.000 0.000 0.268 1033 K C -0.215 176.420 176.600 0.057 0.000 0.983 1033 K CA -0.246 56.124 56.287 0.138 0.000 0.893 1033 K CB 1.265 33.889 32.500 0.207 0.000 1.066 1033 K HN 0.775 nan 8.250 nan 0.000 0.450 1034 T N 0.334 114.902 114.554 0.023 0.000 2.770 1034 T HA 0.430 4.780 4.350 0.000 0.000 0.283 1034 T C -0.461 174.175 174.700 -0.105 0.000 0.988 1034 T CA -0.939 61.124 62.100 -0.062 0.000 0.957 1034 T CB 1.027 69.835 68.868 -0.099 0.000 0.930 1034 T HN 0.177 nan 8.240 nan 0.000 0.443 1035 V N 5.126 124.924 119.914 -0.193 0.000 2.383 1035 V HA 0.366 4.486 4.120 0.000 0.000 0.275 1035 V C 0.424 176.429 176.094 -0.149 0.000 1.036 1035 V CA -1.220 60.928 62.300 -0.255 0.000 0.889 1035 V CB 0.301 31.843 31.823 -0.469 0.000 0.985 1035 V HN 0.982 nan 8.190 nan 0.000 0.459 1036 N N 3.782 122.421 118.700 -0.102 0.000 2.483 1036 N HA 0.159 4.899 4.740 0.000 0.000 0.269 1036 N C 0.711 176.185 175.510 -0.061 0.000 1.209 1036 N CA -0.585 52.426 53.050 -0.065 0.000 0.969 1036 N CB 1.268 39.733 38.487 -0.037 0.000 1.173 1036 N HN 0.635 nan 8.380 nan 0.000 0.475 1037 E N 0.429 120.603 120.200 -0.044 0.000 2.147 1037 E HA -0.195 4.155 4.350 0.000 0.000 0.199 1037 E C 0.422 177.005 176.600 -0.028 0.000 1.005 1037 E CA 1.609 57.989 56.400 -0.033 0.000 0.810 1037 E CB -0.186 29.501 29.700 -0.021 0.000 0.736 1037 E HN 0.755 nan 8.360 nan 0.000 0.460 1038 A N 1.113 123.919 122.820 -0.024 0.000 3.065 1038 A HA 0.342 4.662 4.320 0.000 0.000 0.262 1038 A C 0.022 177.594 177.584 -0.019 0.000 1.901 1038 A CA 0.617 52.644 52.037 -0.017 0.000 1.475 1038 A CB -0.552 18.442 19.000 -0.011 0.000 0.984 1038 A HN 0.167 nan 8.150 nan 0.000 0.618 1039 A N 1.097 123.903 122.820 -0.024 0.000 2.550 1039 A HA 0.571 4.891 4.320 0.000 0.000 0.282 1039 A C 0.244 177.818 177.584 -0.017 0.000 1.071 1039 A CA 0.042 52.066 52.037 -0.021 0.000 0.838 1039 A CB -0.107 18.863 19.000 -0.050 0.000 1.361 1039 A HN 1.480 nan 8.150 nan 0.000 0.408 1040 S N 2.657 118.357 115.700 -0.001 0.000 2.542 1040 S HA 0.012 4.482 4.470 0.000 0.000 0.287 1040 S C 1.335 175.928 174.600 -0.012 0.000 1.315 1040 S CA 0.603 58.803 58.200 -0.000 0.000 1.037 1040 S CB 0.084 63.290 63.200 0.009 0.000 0.822 1040 S HN 0.832 nan 8.310 nan 0.000 0.513 1041 M N 1.338 120.929 119.600 -0.015 0.000 2.149 1041 M HA -0.142 4.338 4.480 0.000 0.000 0.261 1041 M C 2.627 178.896 176.300 -0.051 0.000 1.064 1041 M CA 1.504 56.785 55.300 -0.033 0.000 1.102 1041 M CB -0.277 32.316 32.600 -0.012 0.000 1.369 1041 M HN 0.857 nan 8.290 nan 0.000 0.408 1042 R N 0.252 120.737 120.500 -0.024 0.000 2.094 1042 R HA -0.211 4.129 4.340 0.000 0.000 0.239 1042 R C 1.957 178.253 176.300 -0.007 0.000 1.137 1042 R CA 1.939 58.026 56.100 -0.021 0.000 0.943 1042 R CB -0.592 29.711 30.300 0.005 0.000 0.850 1042 R HN 0.499 nan 8.270 nan 0.000 0.433 1043 E N 0.023 120.244 120.200 0.036 0.000 2.153 1043 E HA -0.205 4.145 4.350 0.000 0.000 0.194 1043 E C 2.048 178.670 176.600 0.037 0.000 0.988 1043 E CA 0.843 57.318 56.400 0.125 0.000 0.811 1043 E CB -0.001 29.796 29.700 0.162 0.000 0.746 1043 E HN 0.235 nan 8.360 nan 0.000 0.466 1044 R N 0.136 120.604 120.500 -0.053 0.000 2.193 1044 R HA 0.014 4.354 4.340 0.000 0.000 0.213 1044 R C 2.188 178.399 176.300 -0.148 0.000 1.055 1044 R CA 0.363 56.391 56.100 -0.121 0.000 0.995 1044 R CB 0.140 30.369 30.300 -0.120 0.000 0.893 1044 R HN 0.173 nan 8.270 nan 0.000 0.459 1045 I N -0.166 120.276 120.570 -0.215 0.000 2.494 1045 I HA -0.126 4.044 4.170 0.000 0.000 0.250 1045 I C 2.280 178.217 176.117 -0.300 0.000 1.112 1045 I CA 0.641 61.698 61.300 -0.404 0.000 1.438 1045 I CB -0.276 37.384 38.000 -0.567 0.000 1.111 1045 I HN 0.211 nan 8.210 nan 0.000 0.431 1046 E N 1.035 121.132 120.200 -0.172 0.000 2.085 1046 E HA -0.278 4.072 4.350 0.000 0.000 0.194 1046 E C 2.149 178.607 176.600 -0.238 0.000 0.994 1046 E CA 1.637 57.969 56.400 -0.113 0.000 0.801 1046 E CB -0.143 29.585 29.700 0.045 0.000 0.743 1046 E HN 0.393 nan 8.360 nan 0.000 0.453 1047 F N 0.892 120.472 119.950 -0.617 0.000 2.126 1047 F HA -0.241 4.286 4.527 0.000 0.000 0.299 1047 F C 2.033 177.487 175.800 -0.577 0.000 1.096 1047 F CA 0.940 58.277 58.000 -1.104 0.000 1.255 1047 F CB -0.054 38.126 39.000 -1.366 0.000 0.997 1047 F HN 0.061 nan 8.300 nan 0.000 0.479 1048 L N 0.511 121.551 121.223 -0.304 0.000 2.179 1048 L HA -0.099 4.241 4.340 0.000 0.000 0.208 1048 L C 1.782 178.468 176.870 -0.306 0.000 1.096 1048 L CA 1.558 56.234 54.840 -0.273 0.000 0.779 1048 L CB -1.660 40.326 42.059 -0.122 0.000 0.922 1048 L HN 0.177 nan 8.230 nan 0.000 0.443 1049 N N -0.914 117.622 118.700 -0.272 0.000 2.354 1049 N HA -0.136 4.604 4.740 0.000 0.000 0.179 1049 N C 1.717 177.089 175.510 -0.231 0.000 1.021 1049 N CA 0.577 53.508 53.050 -0.199 0.000 0.887 1049 N CB 0.178 38.584 38.487 -0.135 0.000 0.974 1049 N HN 0.313 nan 8.380 nan 0.000 0.437 1050 E N 0.474 120.501 120.200 -0.288 0.000 2.031 1050 E HA -0.178 4.173 4.350 0.000 0.000 0.193 1050 E C 1.865 178.269 176.600 -0.325 0.000 0.994 1050 E CA 1.092 57.340 56.400 -0.254 0.000 0.800 1050 E CB -0.061 29.493 29.700 -0.244 0.000 0.752 1050 E HN 0.406 nan 8.360 nan 0.000 0.447 1051 A N 0.928 123.469 122.820 -0.466 0.000 1.978 1051 A HA -0.210 4.110 4.320 0.000 0.000 0.220 1051 A C 2.239 179.539 177.584 -0.474 0.000 1.170 1051 A CA 2.000 53.751 52.037 -0.476 0.000 0.636 1051 A CB -0.710 17.959 19.000 -0.552 0.000 0.810 1051 A HN 0.420 nan 8.150 nan 0.000 0.448 1052 S N -0.492 114.970 115.700 -0.396 0.000 2.469 1052 S HA -0.080 4.390 4.470 0.000 0.000 0.238 1052 S C 1.483 175.851 174.600 -0.385 0.000 0.998 1052 S CA 1.411 59.396 58.200 -0.358 0.000 0.957 1052 S CB -0.582 62.492 63.200 -0.209 0.000 0.764 1052 S HN 0.324 nan 8.310 nan 0.000 0.514 1053 V N 1.302 120.958 119.914 -0.429 0.000 2.992 1053 V HA 0.063 4.183 4.120 0.000 0.000 0.250 1053 V C 2.562 178.046 176.094 -1.016 0.000 1.090 1053 V CA 0.810 62.745 62.300 -0.610 0.000 1.101 1053 V CB -0.693 30.829 31.823 -0.501 0.000 0.743 1053 V HN 0.380 nan 8.190 nan 0.000 0.468 1054 M N 1.202 120.369 119.600 -0.721 0.000 2.110 1054 M HA -0.269 4.211 4.480 0.000 0.000 0.257 1054 M C 2.704 178.625 176.300 -0.633 0.000 1.071 1054 M CA 2.921 57.859 55.300 -0.603 0.000 1.096 1054 M CB -1.520 30.865 32.600 -0.359 0.000 1.300 1054 M HN 0.482 nan 8.290 nan 0.000 0.411 1055 K N 0.782 120.793 120.400 -0.648 0.000 2.066 1055 K HA -0.301 4.019 4.320 0.000 0.000 0.221 1055 K C 1.746 178.269 176.600 -0.128 0.000 1.056 1055 K CA 2.748 58.718 56.287 -0.528 0.000 0.950 1055 K CB -1.917 30.197 32.500 -0.643 0.000 0.726 1055 K HN 0.657 nan 8.250 nan 0.000 0.456 1056 E N -0.838 119.160 120.200 -0.338 0.000 2.114 1056 E HA -0.137 4.213 4.350 0.000 0.000 0.199 1056 E C 0.002 176.555 176.600 -0.079 0.000 1.008 1056 E CA 1.146 57.395 56.400 -0.252 0.000 0.810 1056 E CB -0.335 29.107 29.700 -0.430 0.000 0.739 1056 E HN 0.590 nan 8.360 nan 0.000 0.456 1057 F N 1.140 121.081 119.950 -0.015 0.000 2.471 1057 F HA 0.216 4.743 4.527 0.000 0.000 0.365 1057 F C 0.237 176.108 175.800 0.118 0.000 1.095 1057 F CA -0.377 57.721 58.000 0.163 0.000 1.174 1057 F CB 0.053 39.045 39.000 -0.013 0.000 1.105 1057 F HN -0.023 nan 8.300 nan 0.000 0.535 1058 N N 3.159 122.040 118.700 0.302 0.000 2.804 1058 N HA 0.401 5.141 4.740 0.000 0.000 0.251 1058 N C -1.641 173.728 175.510 -0.236 0.000 1.250 1058 N CA -0.239 52.855 53.050 0.072 0.000 0.820 1058 N CB 0.469 39.028 38.487 0.121 0.000 1.156 1058 N HN 0.698 nan 8.380 nan 0.000 0.512 1059 C N 2.208 121.282 119.300 -0.378 0.000 2.634 1059 C HA 0.379 4.839 4.460 0.000 0.000 0.313 1059 C C 1.724 176.605 174.990 -0.181 0.000 1.198 1059 C CA -0.431 58.288 59.018 -0.499 0.000 1.605 1059 C CB 0.974 28.168 27.740 -0.911 0.000 2.196 1059 C HN 0.913 nan 8.230 nan 0.000 0.486 1060 H N 1.396 120.313 119.070 -0.255 0.000 2.387 1060 H HA -0.069 4.487 4.556 0.000 0.000 0.299 1060 H C 1.121 176.212 175.328 -0.396 0.000 1.099 1060 H CA 2.531 58.375 56.048 -0.340 0.000 1.315 1060 H CB -0.067 29.415 29.762 -0.467 0.000 1.380 1060 H HN 0.873 nan 8.280 nan 0.000 0.513 1061 H N -1.467 117.546 119.070 -0.096 0.000 2.505 1061 H HA 0.334 4.890 4.556 0.000 0.000 0.289 1061 H C -0.407 174.883 175.328 -0.063 0.000 1.052 1061 H CA -0.063 55.919 56.048 -0.109 0.000 1.156 1061 H CB 0.650 30.408 29.762 -0.006 0.000 1.507 1061 H HN 0.007 nan 8.280 nan 0.000 0.548 1062 V N 1.690 121.605 119.914 0.002 0.000 2.435 1062 V HA 0.114 4.234 4.120 0.000 0.000 0.290 1062 V C 0.222 176.353 176.094 0.062 0.000 1.030 1062 V CA -1.126 61.221 62.300 0.078 0.000 0.881 1062 V CB 2.074 33.953 31.823 0.092 0.000 0.983 1062 V HN 0.031 nan 8.190 nan 0.000 0.445 1063 V N 5.694 125.664 119.914 0.093 0.000 2.493 1063 V HA 0.100 4.220 4.120 0.000 0.000 0.292 1063 V C 0.646 176.806 176.094 0.110 0.000 1.016 1063 V CA 0.016 62.357 62.300 0.069 0.000 1.097 1063 V CB -0.204 31.652 31.823 0.055 0.000 0.947 1063 V HN 1.006 nan 8.190 nan 0.000 0.479 1064 R N 5.190 125.734 120.500 0.073 0.000 2.428 1064 R HA 0.649 4.989 4.340 0.000 0.000 0.294 1064 R C -0.681 175.660 176.300 0.068 0.000 1.000 1064 R CA -0.750 55.401 56.100 0.085 0.000 0.960 1064 R CB 1.150 31.500 30.300 0.084 0.000 1.076 1064 R HN 0.648 nan 8.270 nan 0.000 0.475 1065 L N 4.648 125.893 121.223 0.038 0.000 2.360 1065 L HA 0.173 4.513 4.340 0.000 0.000 0.276 1065 L C 0.223 177.169 176.870 0.126 0.000 1.121 1065 L CA -0.164 54.674 54.840 -0.004 0.000 0.845 1065 L CB 0.689 42.623 42.059 -0.207 0.000 1.143 1065 L HN 0.860 nan 8.230 nan 0.000 0.452 1066 L N 4.813 126.114 121.223 0.129 0.000 2.513 1066 L HA 0.443 4.783 4.340 0.000 0.000 0.222 1066 L C 0.847 177.869 176.870 0.254 0.000 1.096 1066 L CA 0.391 55.340 54.840 0.182 0.000 0.857 1066 L CB -0.180 41.944 42.059 0.108 0.000 1.026 1066 L HN 0.859 nan 8.230 nan 0.000 0.469 1067 G N -0.231 108.708 108.800 0.232 0.000 2.347 1067 G HA2 0.210 4.170 3.960 0.000 0.000 0.321 1067 G HA3 0.210 4.170 3.960 0.000 0.000 0.321 1067 G C -1.997 172.982 174.900 0.131 0.000 1.412 1067 G CA -0.148 45.118 45.100 0.277 0.000 0.990 1067 G HN -0.154 nan 8.290 nan 0.000 0.637 1068 V N -0.528 119.464 119.914 0.131 0.000 2.789 1068 V HA 0.809 4.929 4.120 0.000 0.000 0.311 1068 V C -0.571 175.566 176.094 0.072 0.000 1.073 1068 V CA -0.796 61.549 62.300 0.075 0.000 0.921 1068 V CB 1.897 33.742 31.823 0.038 0.000 1.009 1068 V HN 1.253 nan 8.190 nan 0.000 0.426 1069 V N 6.727 126.670 119.914 0.047 0.000 2.334 1069 V HA 0.348 4.468 4.120 0.000 0.000 0.267 1069 V C 1.167 177.272 176.094 0.018 0.000 1.040 1069 V CA 0.690 63.008 62.300 0.030 0.000 0.866 1069 V CB 0.627 32.459 31.823 0.015 0.000 1.019 1069 V HN 1.137 nan 8.190 nan 0.000 0.468 1070 S N 3.102 118.813 115.700 0.017 0.000 2.497 1070 S HA 0.096 4.566 4.470 0.000 0.000 0.221 1070 S C 0.678 175.271 174.600 -0.012 0.000 1.037 1070 S CA -0.324 57.876 58.200 -0.000 0.000 0.920 1070 S CB 0.141 63.341 63.200 0.001 0.000 0.800 1070 S HN 0.681 nan 8.310 nan 0.000 0.505 1071 Q N 2.257 122.057 119.800 -0.000 0.000 2.348 1071 Q HA 0.606 4.946 4.340 0.000 0.000 0.251 1071 Q C 0.282 176.282 176.000 -0.000 0.000 1.113 1071 Q CA 0.233 56.038 55.803 0.004 0.000 0.902 1071 Q CB 0.359 29.106 28.738 0.015 0.000 1.333 1071 Q HN 0.606 nan 8.270 nan 0.000 0.457 1072 G N 1.299 110.096 108.800 -0.005 0.000 2.320 1072 G HA2 0.012 3.972 3.960 0.000 0.000 0.297 1072 G HA3 0.012 3.972 3.960 0.000 0.000 0.297 1072 G C -0.190 174.699 174.900 -0.018 0.000 1.344 1072 G CA -0.509 44.584 45.100 -0.011 0.000 0.851 1072 G HN 0.258 nan 8.290 nan 0.000 0.567 1073 Q N -0.861 118.925 119.800 -0.023 0.000 2.200 1073 Q HA 0.148 4.488 4.340 0.000 0.000 0.197 1073 Q C -1.543 174.432 176.000 -0.042 0.000 0.953 1073 Q CA 0.976 56.764 55.803 -0.026 0.000 0.851 1073 Q CB -0.472 28.253 28.738 -0.021 0.000 0.938 1073 Q HN 0.486 nan 8.270 nan 0.000 0.488 1074 P HA 0.210 nan 4.420 nan 0.000 0.270 1074 P C -0.856 176.399 177.300 -0.074 0.000 1.551 1074 P CA -0.056 63.001 63.100 -0.072 0.000 1.049 1074 P CB 0.480 32.131 31.700 -0.081 0.000 1.397 1075 T N 4.166 118.675 114.554 -0.077 0.000 2.830 1075 T HA -0.027 4.323 4.350 0.000 0.000 0.282 1075 T C 0.584 175.256 174.700 -0.046 0.000 1.024 1075 T CA 0.648 62.714 62.100 -0.057 0.000 1.144 1075 T CB -0.022 68.808 68.868 -0.063 0.000 1.035 1075 T HN 0.245 nan 8.240 nan 0.000 0.507 1076 L N 3.863 125.080 121.223 -0.011 0.000 2.296 1076 L HA 0.520 4.860 4.340 0.000 0.000 0.286 1076 L C -0.226 176.678 176.870 0.055 0.000 1.023 1076 L CA -1.015 53.828 54.840 0.006 0.000 0.812 1076 L CB 1.598 43.653 42.059 -0.007 0.000 1.223 1076 L HN 0.373 nan 8.230 nan 0.000 0.421 1077 V N 4.745 124.714 119.914 0.092 0.000 2.417 1077 V HA 0.428 4.548 4.120 0.000 0.000 0.291 1077 V C -0.030 176.109 176.094 0.075 0.000 1.024 1077 V CA -0.421 61.941 62.300 0.103 0.000 0.861 1077 V CB 1.926 33.858 31.823 0.182 0.000 0.985 1077 V HN 0.502 nan 8.190 nan 0.000 0.436 1078 I N 5.869 126.473 120.570 0.057 0.000 2.359 1078 I HA 0.418 4.588 4.170 0.000 0.000 0.284 1078 I C -0.142 176.007 176.117 0.053 0.000 1.018 1078 I CA 0.033 61.367 61.300 0.058 0.000 1.173 1078 I CB 1.110 39.146 38.000 0.061 0.000 1.326 1078 I HN 0.395 nan 8.210 nan 0.000 0.462 1079 M N 4.617 124.248 119.600 0.052 0.000 2.537 1079 M HA 0.319 4.799 4.480 0.000 0.000 0.324 1079 M C 0.117 176.444 176.300 0.045 0.000 1.187 1079 M CA -0.681 54.647 55.300 0.045 0.000 0.993 1079 M CB 1.663 34.289 32.600 0.044 0.000 1.666 1079 M HN 0.509 nan 8.290 nan 0.000 0.461 1080 E N 2.252 122.477 120.200 0.042 0.000 2.529 1080 E HA 0.023 4.373 4.350 0.000 0.000 0.259 1080 E C -1.091 175.521 176.600 0.021 0.000 0.966 1080 E CA -0.083 56.336 56.400 0.032 0.000 0.937 1080 E CB 0.649 30.366 29.700 0.028 0.000 0.923 1080 E HN 0.572 nan 8.360 nan 0.000 0.468 1081 L N 5.740 126.972 121.223 0.016 0.000 2.360 1081 L HA 0.121 4.461 4.340 0.000 0.000 0.276 1081 L C -0.391 176.470 176.870 -0.015 0.000 1.121 1081 L CA -0.260 54.584 54.840 0.006 0.000 0.845 1081 L CB 0.629 42.693 42.059 0.008 0.000 1.143 1081 L HN 0.742 nan 8.230 nan 0.000 0.452 1082 M N 5.013 124.600 119.600 -0.022 0.000 2.208 1082 M HA 0.118 4.598 4.480 0.000 0.000 0.352 1082 M C 1.392 177.658 176.300 -0.058 0.000 1.137 1082 M CA -0.321 54.950 55.300 -0.048 0.000 1.091 1082 M CB 0.437 33.009 32.600 -0.048 0.000 1.309 1082 M HN 0.653 nan 8.290 nan 0.000 0.408 1083 T N 0.075 114.585 114.554 -0.073 0.000 2.737 1083 T HA -0.156 4.194 4.350 0.000 0.000 0.269 1083 T C 1.346 175.998 174.700 -0.079 0.000 1.040 1083 T CA 1.272 63.328 62.100 -0.073 0.000 1.142 1083 T CB -0.057 68.757 68.868 -0.089 0.000 0.861 1083 T HN 0.630 nan 8.240 nan 0.000 0.456 1084 R N 1.692 122.122 120.500 -0.117 0.000 2.356 1084 R HA 0.399 4.739 4.340 0.000 0.000 0.234 1084 R C 1.652 177.935 176.300 -0.028 0.000 0.929 1084 R CA 0.257 56.300 56.100 -0.094 0.000 1.084 1084 R CB -0.386 29.787 30.300 -0.212 0.000 1.105 1084 R HN 0.649 nan 8.270 nan 0.000 0.515 1085 G N 2.507 111.289 108.800 -0.030 0.000 2.601 1085 G HA2 -0.359 3.601 3.960 0.000 0.000 0.252 1085 G HA3 -0.359 3.601 3.960 0.000 0.000 0.252 1085 G C -0.582 174.316 174.900 -0.003 0.000 1.294 1085 G CA 0.113 45.210 45.100 -0.005 0.000 0.912 1085 G HN 0.541 nan 8.290 nan 0.000 0.574 1086 D N -0.597 119.814 120.400 0.019 0.000 2.313 1086 D HA 0.452 5.092 4.640 0.000 0.000 0.247 1086 D C 1.482 177.819 176.300 0.062 0.000 1.094 1086 D CA -0.299 53.711 54.000 0.017 0.000 0.925 1086 D CB 1.088 41.891 40.800 0.005 0.000 1.188 1086 D HN 0.716 nan 8.370 nan 0.000 0.430 1087 L N 1.172 122.424 121.223 0.048 0.000 2.191 1087 L HA -0.093 4.247 4.340 0.000 0.000 0.212 1087 L C 1.950 178.913 176.870 0.155 0.000 1.103 1087 L CA 1.713 56.616 54.840 0.106 0.000 0.769 1087 L CB -0.733 41.364 42.059 0.064 0.000 0.908 1087 L HN 0.622 nan 8.230 nan 0.000 0.438 1088 K N -0.780 119.679 120.400 0.098 0.000 2.001 1088 K HA -0.120 4.200 4.320 0.000 0.000 0.208 1088 K C 2.072 178.727 176.600 0.092 0.000 1.048 1088 K CA 1.598 57.941 56.287 0.094 0.000 0.932 1088 K CB -0.072 32.465 32.500 0.062 0.000 0.715 1088 K HN 0.564 nan 8.250 nan 0.000 0.437 1089 S N -0.002 115.749 115.700 0.084 0.000 2.406 1089 S HA -0.170 4.300 4.470 0.000 0.000 0.228 1089 S C 1.977 176.628 174.600 0.085 0.000 1.020 1089 S CA 0.831 59.071 58.200 0.067 0.000 0.965 1089 S CB -0.775 62.456 63.200 0.052 0.000 0.798 1089 S HN 0.467 nan 8.310 nan 0.000 0.488 1090 Y N 2.763 123.076 120.300 0.022 0.000 2.165 1090 Y HA -0.052 4.498 4.550 0.000 0.000 0.286 1090 Y C 1.920 177.842 175.900 0.038 0.000 1.155 1090 Y CA 1.316 59.437 58.100 0.035 0.000 1.164 1090 Y CB -0.538 37.949 38.460 0.045 0.000 0.978 1090 Y HN 0.168 nan 8.280 nan 0.000 0.513 1091 L N 0.026 121.260 121.223 0.018 0.000 2.191 1091 L HA -0.204 4.136 4.340 0.000 0.000 0.212 1091 L C 2.534 179.328 176.870 -0.127 0.000 1.103 1091 L CA 1.248 56.036 54.840 -0.086 0.000 0.769 1091 L CB -0.434 41.654 42.059 0.049 0.000 0.908 1091 L HN 0.211 nan 8.230 nan 0.000 0.438 1092 R N -0.519 119.937 120.500 -0.073 0.000 2.200 1092 R HA -0.030 4.310 4.340 0.000 0.000 0.208 1092 R C 2.398 178.645 176.300 -0.088 0.000 1.033 1092 R CA 1.209 57.274 56.100 -0.059 0.000 1.000 1092 R CB -0.106 30.186 30.300 -0.014 0.000 0.906 1092 R HN 0.423 nan 8.270 nan 0.000 0.462 1093 S N 0.396 116.021 115.700 -0.125 0.000 2.555 1093 S HA 0.032 4.502 4.470 0.000 0.000 0.230 1093 S C 1.734 176.239 174.600 -0.158 0.000 0.978 1093 S CA 0.463 58.593 58.200 -0.118 0.000 0.934 1093 S CB -0.139 63.003 63.200 -0.096 0.000 0.766 1093 S HN 0.224 nan 8.310 nan 0.000 0.533 1094 L N 0.868 121.962 121.223 -0.216 0.000 2.591 1094 L HA 0.240 4.580 4.340 0.000 0.000 0.228 1094 L C 0.752 177.549 176.870 -0.122 0.000 1.133 1094 L CA -0.136 54.587 54.840 -0.196 0.000 0.880 1094 L CB -0.182 41.724 42.059 -0.256 0.000 1.033 1094 L HN 0.340 nan 8.230 nan 0.000 0.450 1095 R N -0.281 120.160 120.500 -0.098 0.000 2.598 1095 R HA 0.364 4.704 4.340 0.000 0.000 0.279 1095 R C -1.470 174.797 176.300 -0.056 0.000 0.984 1095 R CA -1.584 54.473 56.100 -0.073 0.000 0.999 1095 R CB -0.241 30.020 30.300 -0.065 0.000 1.114 1095 R HN -0.228 nan 8.270 nan 0.000 0.493 1096 P HA -0.117 nan 4.420 nan 0.000 0.214 1096 P C -0.394 176.887 177.300 -0.031 0.000 1.162 1096 P CA 1.319 64.395 63.100 -0.038 0.000 0.879 1096 P CB 0.359 32.037 31.700 -0.036 0.000 0.786 1103 V N 1.207 121.100 119.914 -0.035 0.000 2.339 1103 V HA 0.766 4.886 4.120 0.000 0.000 0.261 1103 V C 0.416 176.481 176.094 -0.048 0.000 1.058 1103 V CA -0.131 62.144 62.300 -0.041 0.000 0.897 1103 V CB 0.205 32.006 31.823 -0.037 0.000 1.052 1103 V HN 1.141 nan 8.190 nan 0.000 0.480 1104 L N 3.938 125.126 121.223 -0.058 0.000 2.317 1104 L HA 1.052 5.392 4.340 0.000 0.000 0.281 1104 L C 0.297 177.122 176.870 -0.075 0.000 1.024 1104 L CA -0.437 54.363 54.840 -0.068 0.000 0.810 1104 L CB 0.881 42.893 42.059 -0.077 0.000 1.240 1104 L HN 1.694 nan 8.230 nan 0.000 0.427 1105 A N 3.653 126.429 122.820 -0.074 0.000 2.374 1105 A HA 0.992 5.312 4.320 0.000 0.000 0.317 1105 A C -2.473 175.061 177.584 -0.083 0.000 1.094 1105 A CA -1.468 50.524 52.037 -0.075 0.000 0.765 1105 A CB 1.026 19.989 19.000 -0.062 0.000 1.268 1105 A HN 0.807 nan 8.150 nan 0.000 0.438 1106 P HA 0.534 nan 4.420 nan 0.000 0.281 1106 P C -2.687 174.571 177.300 -0.071 0.000 1.281 1106 P CA -1.397 61.650 63.100 -0.088 0.000 0.811 1106 P CB -0.523 31.118 31.700 -0.099 0.000 1.154 1107 P HA 0.033 nan 4.420 nan 0.000 0.270 1107 P C -0.016 177.256 177.300 -0.047 0.000 1.227 1107 P CA 0.070 63.143 63.100 -0.046 0.000 0.788 1107 P CB -0.042 31.648 31.700 -0.017 0.000 0.926 1108 S N 1.168 116.841 115.700 -0.046 0.000 2.563 1108 S HA -0.004 4.466 4.470 0.000 0.000 0.284 1108 S C 1.378 175.953 174.600 -0.041 0.000 1.331 1108 S CA -0.652 57.521 58.200 -0.044 0.000 1.047 1108 S CB 0.013 63.186 63.200 -0.044 0.000 0.859 1108 S HN 0.447 nan 8.310 nan 0.000 0.514 1109 L N 1.667 122.866 121.223 -0.039 0.000 2.051 1109 L HA -0.203 4.137 4.340 0.000 0.000 0.214 1109 L C 2.745 179.592 176.870 -0.038 0.000 1.076 1109 L CA 2.336 57.154 54.840 -0.038 0.000 0.758 1109 L CB -0.899 41.140 42.059 -0.033 0.000 0.890 1109 L HN 1.000 nan 8.230 nan 0.000 0.433 1110 S N -0.495 115.183 115.700 -0.037 0.000 2.353 1110 S HA -0.226 4.244 4.470 0.000 0.000 0.222 1110 S C 1.973 176.548 174.600 -0.040 0.000 1.035 1110 S CA 1.457 59.633 58.200 -0.039 0.000 1.025 1110 S CB -0.070 63.109 63.200 -0.035 0.000 0.902 1110 S HN 0.361 nan 8.310 nan 0.000 0.440 1111 K N 0.535 120.911 120.400 -0.039 0.000 2.074 1111 K HA -0.094 4.226 4.320 0.000 0.000 0.209 1111 K C 2.230 178.818 176.600 -0.019 0.000 1.048 1111 K CA 1.573 57.841 56.287 -0.032 0.000 0.926 1111 K CB -0.553 31.927 32.500 -0.034 0.000 0.713 1111 K HN 0.503 nan 8.250 nan 0.000 0.444 1112 M N 0.165 119.750 119.600 -0.024 0.000 2.132 1112 M HA -0.137 4.343 4.480 0.000 0.000 0.263 1112 M C 2.068 178.348 176.300 -0.034 0.000 1.065 1112 M CA 1.056 56.341 55.300 -0.024 0.000 1.122 1112 M CB -0.195 32.383 32.600 -0.037 0.000 1.365 1112 M HN 0.004 nan 8.290 nan 0.000 0.411 1113 I N 0.272 120.815 120.570 -0.044 0.000 2.226 1113 I HA -0.264 3.906 4.170 0.000 0.000 0.245 1113 I C 2.431 178.499 176.117 -0.082 0.000 1.100 1113 I CA 1.543 62.808 61.300 -0.058 0.000 1.374 1113 I CB -1.396 36.563 38.000 -0.068 0.000 1.057 1113 I HN 0.328 nan 8.210 nan 0.000 0.413 1114 Q N 1.033 120.785 119.800 -0.079 0.000 1.998 1114 Q HA -0.232 4.108 4.340 0.000 0.000 0.209 1114 Q C 2.315 178.273 176.000 -0.070 0.000 1.002 1114 Q CA 2.219 57.968 55.803 -0.090 0.000 0.858 1114 Q CB -0.347 28.369 28.738 -0.038 0.000 0.932 1114 Q HN 0.442 nan 8.270 nan 0.000 0.416 1115 M N -0.618 118.968 119.600 -0.023 0.000 2.073 1115 M HA -0.237 4.243 4.480 0.000 0.000 0.258 1115 M C 2.225 178.535 176.300 0.016 0.000 1.070 1115 M CA 1.764 57.066 55.300 0.002 0.000 1.103 1115 M CB -0.749 31.863 32.600 0.020 0.000 1.321 1115 M HN 0.357 nan 8.290 nan 0.000 0.405 1116 A N 0.861 123.693 122.820 0.019 0.000 1.873 1116 A HA -0.146 4.174 4.320 0.000 0.000 0.218 1116 A C 2.401 180.091 177.584 0.177 0.000 1.193 1116 A CA 2.313 54.425 52.037 0.125 0.000 0.629 1116 A CB -1.733 17.320 19.000 0.089 0.000 0.826 1116 A HN 0.597 nan 8.150 nan 0.000 0.447 1117 G N -1.005 107.784 108.800 -0.019 0.000 2.422 1117 G HA2 -0.148 3.812 3.960 0.000 0.000 0.218 1117 G HA3 -0.148 3.812 3.960 0.000 0.000 0.218 1117 G C 1.432 176.223 174.900 -0.181 0.000 1.140 1117 G CA 0.982 45.988 45.100 -0.157 0.000 0.775 1117 G HN 0.685 nan 8.290 nan 0.000 0.545 1118 E N -0.045 120.042 120.200 -0.188 0.000 2.072 1118 E HA 0.009 4.359 4.350 0.000 0.000 0.190 1118 E C 2.482 178.967 176.600 -0.191 0.000 0.982 1118 E CA 0.355 56.556 56.400 -0.332 0.000 0.803 1118 E CB -0.092 29.516 29.700 -0.154 0.000 0.755 1118 E HN 0.443 nan 8.360 nan 0.000 0.453 1119 I N 1.335 121.896 120.570 -0.016 0.000 2.208 1119 I HA -0.282 3.888 4.170 0.000 0.000 0.245 1119 I C 2.547 178.623 176.117 -0.068 0.000 1.097 1119 I CA 1.039 62.366 61.300 0.046 0.000 1.363 1119 I CB -0.294 37.834 38.000 0.212 0.000 1.051 1119 I HN 0.086 nan 8.210 nan 0.000 0.413 1120 A N 0.130 122.908 122.820 -0.070 0.000 1.933 1120 A HA -0.284 4.036 4.320 0.000 0.000 0.218 1120 A C 1.949 179.391 177.584 -0.236 0.000 1.175 1120 A CA 2.242 54.071 52.037 -0.347 0.000 0.628 1120 A CB -0.679 18.185 19.000 -0.227 0.000 0.814 1120 A HN 0.453 nan 8.150 nan 0.000 0.444 1121 D N -0.812 119.553 120.400 -0.060 0.000 2.084 1121 D HA -0.027 4.613 4.640 0.000 0.000 0.196 1121 D C 2.066 178.384 176.300 0.029 0.000 0.985 1121 D CA 1.699 55.758 54.000 0.099 0.000 0.826 1121 D CB -0.422 40.489 40.800 0.184 0.000 0.978 1121 D HN 0.283 nan 8.370 nan 0.000 0.456 1122 G N 0.442 109.240 108.800 -0.004 0.000 2.529 1122 G HA2 -0.296 3.664 3.960 0.000 0.000 0.219 1122 G HA3 -0.296 3.664 3.960 0.000 0.000 0.219 1122 G C 1.536 176.347 174.900 -0.149 0.000 1.177 1122 G CA 1.124 46.215 45.100 -0.015 0.000 0.773 1122 G HN 0.200 nan 8.290 nan 0.000 0.573 1123 M N 1.028 120.410 119.600 -0.362 0.000 2.159 1123 M HA 0.042 4.522 4.480 0.000 0.000 0.263 1123 M C 3.015 179.060 176.300 -0.425 0.000 1.063 1123 M CA 1.219 56.154 55.300 -0.608 0.000 1.110 1123 M CB -1.189 30.452 32.600 -1.599 0.000 1.374 1123 M HN 0.342 nan 8.290 nan 0.000 0.411 1124 A N -0.827 121.818 122.820 -0.292 0.000 1.933 1124 A HA -0.219 4.102 4.320 0.000 0.000 0.218 1124 A C 2.124 179.506 177.584 -0.336 0.000 1.175 1124 A CA 1.377 53.401 52.037 -0.022 0.000 0.628 1124 A CB -1.040 18.093 19.000 0.221 0.000 0.814 1124 A HN 0.503 nan 8.150 nan 0.000 0.444 1125 Y N 0.268 120.097 120.300 -0.786 0.000 2.133 1125 Y HA -0.147 4.403 4.550 0.000 0.000 0.287 1125 Y C 2.055 177.652 175.900 -0.504 0.000 1.134 1125 Y CA 1.506 58.932 58.100 -1.123 0.000 1.133 1125 Y CB -0.332 37.645 38.460 -0.805 0.000 0.987 1125 Y HN 0.187 nan 8.280 nan 0.000 0.502 1126 L N 0.573 121.584 121.223 -0.353 0.000 1.978 1126 L HA -0.373 3.967 4.340 0.000 0.000 0.218 1126 L C 1.969 178.768 176.870 -0.118 0.000 1.075 1126 L CA 2.552 57.205 54.840 -0.312 0.000 0.767 1126 L CB -0.931 41.021 42.059 -0.179 0.000 0.890 1126 L HN 0.466 nan 8.230 nan 0.000 0.434 1127 N N -0.882 117.789 118.700 -0.049 0.000 2.309 1127 N HA -0.117 4.623 4.740 0.000 0.000 0.182 1127 N C 1.780 177.288 175.510 -0.004 0.000 1.018 1127 N CA 0.854 53.927 53.050 0.038 0.000 0.876 1127 N CB 0.012 38.578 38.487 0.131 0.000 0.972 1127 N HN 0.350 nan 8.380 nan 0.000 0.434 1128 A N 1.497 124.275 122.820 -0.070 0.000 1.930 1128 A HA -0.063 4.257 4.320 0.000 0.000 0.217 1128 A C 1.633 179.191 177.584 -0.045 0.000 1.175 1128 A CA 1.002 53.029 52.037 -0.017 0.000 0.627 1128 A CB -0.225 18.809 19.000 0.057 0.000 0.815 1128 A HN 0.295 nan 8.150 nan 0.000 0.443 1129 N N 0.169 118.800 118.700 -0.115 0.000 2.434 1129 N HA -0.005 4.735 4.740 0.000 0.000 0.196 1129 N C -0.601 174.946 175.510 0.062 0.000 1.183 1129 N CA 0.162 53.219 53.050 0.012 0.000 0.849 1129 N CB 0.159 38.681 38.487 0.058 0.000 0.992 1129 N HN 0.145 nan 8.380 nan 0.000 0.460 1130 K N 0.164 120.551 120.400 -0.021 0.000 3.162 1130 K HA -0.161 4.159 4.320 0.000 0.000 0.268 1130 K C -1.032 175.391 176.600 -0.296 0.000 1.062 1130 K CA 0.788 56.991 56.287 -0.140 0.000 0.769 1130 K CB -2.013 30.369 32.500 -0.196 0.000 1.274 1130 K HN 0.187 nan 8.250 nan 0.000 0.478 1131 F N -0.920 119.015 119.950 -0.024 0.000 2.561 1131 F HA 0.514 5.041 4.527 0.000 0.000 0.321 1131 F C 0.659 176.476 175.800 0.028 0.000 1.065 1131 F CA -1.057 56.946 58.000 0.004 0.000 0.934 1131 F CB 1.746 40.751 39.000 0.009 0.000 1.215 1131 F HN -0.205 nan 8.300 nan 0.000 0.471 1132 V N 2.259 122.324 119.914 0.252 0.000 2.409 1132 V HA 0.183 4.303 4.120 0.000 0.000 0.291 1132 V C 0.705 176.945 176.094 0.243 0.000 1.020 1132 V CA -0.651 61.781 62.300 0.221 0.000 0.848 1132 V CB 1.145 33.073 31.823 0.174 0.000 0.990 1132 V HN 0.853 nan 8.190 nan 0.000 0.430 1133 H N 4.590 123.767 119.070 0.177 0.000 2.357 1133 H HA -0.016 4.540 4.556 0.000 0.000 0.301 1133 H C 1.759 177.135 175.328 0.079 0.000 1.082 1133 H CA 2.114 58.252 56.048 0.149 0.000 1.342 1133 H CB 0.362 30.200 29.762 0.127 0.000 1.389 1133 H HN 0.764 nan 8.280 nan 0.000 0.511 1134 R N -1.282 119.395 120.500 0.294 0.000 4.002 1134 R HA -0.202 4.138 4.340 0.000 0.000 0.443 1134 R C 0.253 176.661 176.300 0.180 0.000 0.770 1134 R CA 1.690 57.856 56.100 0.110 0.000 1.648 1134 R CB -1.376 28.761 30.300 -0.272 0.000 2.287 1134 R HN 0.304 nan 8.270 nan 0.000 0.454 1135 D N 0.258 120.852 120.400 0.322 0.000 2.571 1135 D HA 0.135 4.775 4.640 0.000 0.000 0.239 1135 D C -0.701 175.544 176.300 -0.092 0.000 1.267 1135 D CA -0.345 53.753 54.000 0.162 0.000 0.823 1135 D CB 0.319 41.225 40.800 0.177 0.000 1.056 1135 D HN -0.001 nan 8.370 nan 0.000 0.494 1136 L N 1.757 122.839 121.223 -0.234 0.000 2.597 1136 L HA 0.432 4.772 4.340 0.000 0.000 0.271 1136 L C -0.410 176.398 176.870 -0.102 0.000 1.157 1136 L CA 0.218 54.848 54.840 -0.350 0.000 0.928 1136 L CB -0.186 41.792 42.059 -0.134 0.000 1.216 1136 L HN 0.098 nan 8.230 nan 0.000 0.481 1137 A N 4.036 126.735 122.820 -0.203 0.000 2.604 1137 A HA 0.720 5.040 4.320 0.000 0.000 0.295 1137 A C 0.628 178.143 177.584 -0.116 0.000 1.067 1137 A CA -0.175 51.719 52.037 -0.239 0.000 0.683 1137 A CB 0.736 19.256 19.000 -0.799 0.000 1.281 1137 A HN 0.944 nan 8.150 nan 0.000 0.407 1138 A N 1.122 123.954 122.820 0.020 0.000 1.917 1138 A HA -0.197 4.123 4.320 0.000 0.000 0.219 1138 A C 1.966 179.542 177.584 -0.014 0.000 1.182 1138 A CA 2.162 54.225 52.037 0.045 0.000 0.633 1138 A CB -0.607 18.469 19.000 0.127 0.000 0.819 1138 A HN 1.165 nan 8.150 nan 0.000 0.448 1139 R N -0.892 119.567 120.500 -0.068 0.000 2.293 1139 R HA -0.066 4.274 4.340 0.000 0.000 0.219 1139 R C 0.649 176.896 176.300 -0.088 0.000 1.091 1139 R CA 1.627 57.682 56.100 -0.075 0.000 1.004 1139 R CB -0.402 29.827 30.300 -0.118 0.000 0.865 1139 R HN 0.400 nan 8.270 nan 0.000 0.469 1140 N N -0.047 118.586 118.700 -0.113 0.000 2.282 1140 N HA 0.077 4.817 4.740 0.000 0.000 0.185 1140 N C -0.297 175.152 175.510 -0.103 0.000 1.099 1140 N CA 0.091 53.072 53.050 -0.115 0.000 0.878 1140 N CB 0.382 38.789 38.487 -0.132 0.000 0.993 1140 N HN 0.145 nan 8.380 nan 0.000 0.481 1141 C N 1.774 121.029 119.300 -0.074 0.000 2.466 1141 C HA 0.483 4.943 4.460 0.000 0.000 0.379 1141 C C 0.488 175.454 174.990 -0.041 0.000 1.251 1141 C CA -0.728 58.260 59.018 -0.052 0.000 2.263 1141 C CB 0.317 28.043 27.740 -0.024 0.000 2.511 1141 C HN 0.207 nan 8.230 nan 0.000 0.573 1142 M N 2.031 121.605 119.600 -0.044 0.000 2.578 1142 M HA 0.553 5.034 4.480 0.000 0.000 0.321 1142 M C -0.618 175.638 176.300 -0.074 0.000 1.182 1142 M CA -0.593 54.677 55.300 -0.050 0.000 0.965 1142 M CB 1.443 34.016 32.600 -0.045 0.000 1.694 1142 M HN 0.361 nan 8.290 nan 0.000 0.461 1143 V N 1.349 121.193 119.914 -0.115 0.000 2.495 1143 V HA 0.748 4.868 4.120 0.000 0.000 0.298 1143 V C 0.299 176.282 176.094 -0.186 0.000 1.031 1143 V CA -1.030 61.156 62.300 -0.190 0.000 0.871 1143 V CB 1.303 32.899 31.823 -0.378 0.000 0.988 1143 V HN 1.016 nan 8.190 nan 0.000 0.432 1144 A N 2.591 125.310 122.820 -0.167 0.000 2.246 1144 A HA 0.524 4.844 4.320 0.000 0.000 0.291 1144 A C 1.206 178.637 177.584 -0.255 0.000 1.103 1144 A CA -0.080 51.864 52.037 -0.155 0.000 0.844 1144 A CB 0.315 19.258 19.000 -0.095 0.000 1.136 1144 A HN 0.945 nan 8.150 nan 0.000 0.500 1145 E N 0.029 120.105 120.200 -0.207 0.000 2.130 1145 E HA -0.231 4.119 4.350 0.000 0.000 0.196 1145 E C 0.891 177.289 176.600 -0.337 0.000 0.998 1145 E CA 2.020 58.259 56.400 -0.268 0.000 0.806 1145 E CB -0.059 29.559 29.700 -0.135 0.000 0.738 1145 E HN 0.735 nan 8.360 nan 0.000 0.459 1146 D N -1.387 118.928 120.400 -0.141 0.000 2.319 1146 D HA -0.092 4.548 4.640 0.000 0.000 0.230 1146 D C -0.145 176.273 176.300 0.197 0.000 1.094 1146 D CA -0.150 53.877 54.000 0.044 0.000 0.856 1146 D CB -0.534 40.326 40.800 0.101 0.000 0.915 1146 D HN 0.308 nan 8.370 nan 0.000 0.517 1147 F N -1.355 118.564 119.950 -0.052 0.000 2.746 1147 F HA -0.230 4.298 4.527 0.000 0.000 0.315 1147 F C 0.318 176.062 175.800 -0.093 0.000 0.666 1147 F CA 0.659 58.591 58.000 -0.113 0.000 1.381 1147 F CB -2.546 36.413 39.000 -0.067 0.000 1.739 1147 F HN -0.108 nan 8.300 nan 0.000 0.322 1148 T N 1.582 116.172 114.554 0.061 0.000 2.884 1148 T HA 0.503 4.853 4.350 0.000 0.000 0.298 1148 T C 0.436 175.138 174.700 0.004 0.000 0.998 1148 T CA -0.269 61.870 62.100 0.065 0.000 1.124 1148 T CB 1.581 70.479 68.868 0.051 0.000 0.931 1148 T HN 0.011 nan 8.240 nan 0.000 0.531 1149 V N 4.797 124.732 119.914 0.035 0.000 2.472 1149 V HA 0.472 4.592 4.120 0.000 0.000 0.290 1149 V C 0.102 176.223 176.094 0.044 0.000 1.037 1149 V CA -0.524 61.780 62.300 0.007 0.000 0.908 1149 V CB 1.484 33.311 31.823 0.006 0.000 0.985 1149 V HN 0.763 nan 8.190 nan 0.000 0.454 1150 K N 4.313 124.718 120.400 0.009 0.000 2.464 1150 K HA 0.569 4.889 4.320 0.000 0.000 0.253 1150 K C -1.317 175.286 176.600 0.005 0.000 0.933 1150 K CA -0.932 55.369 56.287 0.024 0.000 0.801 1150 K CB 2.382 34.873 32.500 -0.016 0.000 1.271 1150 K HN 0.337 nan 8.250 nan 0.000 0.430 1151 I N 1.584 122.168 120.570 0.023 0.000 2.692 1151 I HA 0.072 4.242 4.170 0.000 0.000 0.284 1151 I C 1.261 177.333 176.117 -0.075 0.000 1.159 1151 I CA 0.525 61.813 61.300 -0.020 0.000 1.423 1151 I CB 0.514 38.544 38.000 0.050 0.000 1.380 1151 I HN 1.044 nan 8.210 nan 0.000 0.580 1152 G N 3.977 112.622 108.800 -0.258 0.000 2.535 1152 G HA2 0.001 3.961 3.960 0.000 0.000 0.191 1152 G HA3 0.001 3.961 3.960 0.000 0.000 0.191 1152 G C -0.122 174.485 174.900 -0.488 0.000 1.242 1152 G CA 0.077 45.024 45.100 -0.255 0.000 0.797 1152 G HN 0.535 nan 8.290 nan 0.000 0.863 1153 D N -0.365 119.645 120.400 -0.649 0.000 2.408 1153 D HA 0.513 5.153 4.640 0.000 0.000 0.243 1153 D C -0.642 175.242 176.300 -0.695 0.000 1.075 1153 D CA -0.892 52.828 54.000 -0.467 0.000 0.832 1153 D CB 1.314 42.000 40.800 -0.190 0.000 1.162 1153 D HN 0.056 nan 8.370 nan 0.000 0.515 1154 F N 1.071 120.949 119.950 -0.121 0.000 2.729 1154 F HA 0.280 4.807 4.527 0.000 0.000 0.315 1154 F C 2.169 177.887 175.800 -0.136 0.000 1.102 1154 F CA -0.626 57.246 58.000 -0.214 0.000 1.204 1154 F CB 1.161 40.080 39.000 -0.136 0.000 1.052 1154 F HN 0.525 nan 8.300 nan 0.000 0.551 1155 G N 0.283 109.106 108.800 0.039 0.000 2.501 1155 G HA2 -0.253 3.707 3.960 0.000 0.000 0.220 1155 G HA3 -0.253 3.707 3.960 0.000 0.000 0.220 1155 G C 1.359 176.270 174.900 0.019 0.000 1.114 1155 G CA 0.812 45.938 45.100 0.044 0.000 0.757 1155 G HN 0.289 nan 8.290 nan 0.000 0.559 1156 M N 0.524 120.117 119.600 -0.012 0.000 2.313 1156 M HA 0.272 4.752 4.480 0.000 0.000 0.273 1156 M C 1.107 177.388 176.300 -0.031 0.000 1.049 1156 M CA 0.024 55.306 55.300 -0.030 0.000 1.004 1156 M CB 0.832 33.408 32.600 -0.039 0.000 1.461 1156 M HN 0.059 nan 8.290 nan 0.000 0.514 1157 T N 0.859 115.415 114.554 0.003 0.000 2.913 1157 T HA 0.543 4.893 4.350 0.000 0.000 0.287 1157 T C -0.139 174.648 174.700 0.145 0.000 1.008 1157 T CA -0.543 61.596 62.100 0.065 0.000 1.067 1157 T CB 0.826 69.737 68.868 0.072 0.000 0.996 1157 T HN 0.140 nan 8.240 nan 0.000 0.513 1158 R N 2.657 123.271 120.500 0.190 0.000 2.750 1158 R HA 0.432 4.772 4.340 0.000 0.000 0.281 1158 R C -1.002 175.379 176.300 0.135 0.000 0.972 1158 R CA -0.981 55.215 56.100 0.160 0.000 0.912 1158 R CB 1.295 31.629 30.300 0.057 0.000 1.187 1158 R HN 0.813 nan 8.270 nan 0.000 0.464 1159 D N 2.175 122.558 120.400 -0.030 0.000 2.350 1159 D HA 0.345 4.985 4.640 0.000 0.000 0.249 1159 D C 0.123 176.261 176.300 -0.271 0.000 1.119 1159 D CA -0.120 53.607 54.000 -0.455 0.000 0.886 1159 D CB 0.611 41.195 40.800 -0.360 0.000 1.195 1159 D HN 0.472 nan 8.370 nan 0.000 0.437 1163 T N -1.134 113.406 114.554 -0.024 0.000 6.933 1163 T HA -0.138 4.212 4.350 0.000 0.000 0.288 1163 T C 0.205 174.897 174.700 -0.014 0.000 2.146 1163 T CA -0.037 62.054 62.100 -0.014 0.000 3.665 1163 T CB -1.121 67.739 68.868 -0.014 0.000 0.963 1163 T HN 0.461 nan 8.240 nan 0.000 0.308 1168 K N 2.838 123.344 120.400 0.178 0.000 2.262 1168 K HA 0.418 4.738 4.320 0.000 0.000 0.282 1168 K C 0.655 177.309 176.600 0.089 0.000 1.066 1168 K CA 0.363 56.738 56.287 0.148 0.000 0.901 1168 K CB 1.273 33.909 32.500 0.227 0.000 1.089 1168 K HN 0.699 nan 8.250 nan 0.000 0.476 1169 G N 2.696 111.533 108.800 0.063 0.000 2.424 1169 G HA2 -0.030 3.930 3.960 0.000 0.000 0.214 1169 G HA3 -0.030 3.930 3.960 0.000 0.000 0.214 1169 G C 0.646 175.569 174.900 0.039 0.000 1.202 1169 G CA 0.700 45.826 45.100 0.044 0.000 0.793 1169 G HN 0.710 nan 8.290 nan 0.000 0.534 1170 G N -0.599 108.225 108.800 0.039 0.000 3.134 1170 G HA2 0.445 4.405 3.960 0.000 0.000 0.158 1170 G HA3 0.445 4.405 3.960 0.000 0.000 0.158 1170 G C -0.380 174.542 174.900 0.037 0.000 1.334 1170 G CA -0.464 44.656 45.100 0.032 0.000 1.001 1170 G HN 0.111 nan 8.290 nan 0.000 0.600 1171 K N 0.564 120.983 120.400 0.031 0.000 2.382 1171 K HA 0.432 4.752 4.320 0.000 0.000 0.275 1171 K C 0.098 176.722 176.600 0.040 0.000 1.009 1171 K CA 0.153 56.459 56.287 0.033 0.000 0.970 1171 K CB 0.805 33.320 32.500 0.024 0.000 0.934 1171 K HN 0.535 nan 8.250 nan 0.000 0.479 1172 G N 1.830 110.659 108.800 0.049 0.000 2.571 1172 G HA2 0.539 4.499 3.960 0.000 0.000 0.304 1172 G HA3 0.539 4.499 3.960 0.000 0.000 0.304 1172 G C -0.050 174.881 174.900 0.052 0.000 1.314 1172 G CA -0.594 44.539 45.100 0.057 0.000 0.975 1172 G HN 0.508 nan 8.290 nan 0.000 0.485 1173 L N 1.286 122.534 121.223 0.041 0.000 2.906 1173 L HA 0.320 4.660 4.340 0.000 0.000 0.255 1173 L C 0.673 177.571 176.870 0.047 0.000 1.166 1173 L CA -0.182 54.681 54.840 0.038 0.000 0.977 1173 L CB 0.153 42.222 42.059 0.018 0.000 1.313 1173 L HN 0.260 nan 8.230 nan 0.000 0.549 1174 L N 2.157 123.418 121.223 0.063 0.000 2.559 1174 L HA 0.047 4.387 4.340 0.000 0.000 0.282 1174 L C -1.819 175.127 176.870 0.127 0.000 1.232 1174 L CA -1.376 53.516 54.840 0.086 0.000 0.885 1174 L CB -0.128 42.008 42.059 0.129 0.000 1.131 1174 L HN -0.123 nan 8.230 nan 0.000 0.498 1175 P HA -0.028 nan 4.420 nan 0.000 0.271 1175 P C 0.783 178.275 177.300 0.320 0.000 1.220 1175 P CA -0.297 62.939 63.100 0.227 0.000 0.768 1175 P CB 0.855 32.698 31.700 0.239 0.000 0.848 1176 V N 3.002 123.059 119.914 0.240 0.000 2.515 1176 V HA -0.204 3.916 4.120 0.000 0.000 0.250 1176 V C 1.642 177.844 176.094 0.180 0.000 1.058 1176 V CA 1.142 63.542 62.300 0.167 0.000 1.064 1176 V CB -1.008 30.858 31.823 0.071 0.000 0.675 1176 V HN 0.392 nan 8.190 nan 0.000 0.461 1177 R N -0.822 119.820 120.500 0.236 0.000 2.293 1177 R HA -0.044 4.296 4.340 0.000 0.000 0.219 1177 R C 1.741 178.069 176.300 0.047 0.000 1.091 1177 R CA 1.475 57.629 56.100 0.090 0.000 1.004 1177 R CB -0.361 29.891 30.300 -0.080 0.000 0.865 1177 R HN 0.646 nan 8.270 nan 0.000 0.469 1178 W N 0.249 121.687 121.300 0.229 0.000 3.127 1178 W HA 0.307 4.967 4.660 0.000 0.000 0.344 1178 W C 0.218 176.935 176.519 0.331 0.000 1.151 1178 W CA -0.575 56.946 57.345 0.294 0.000 1.765 1178 W CB 0.289 29.885 29.460 0.225 0.000 1.085 1178 W HN -0.023 nan 8.180 nan 0.000 0.596 1179 M N 0.984 120.791 119.600 0.345 0.000 2.249 1179 M HA 0.091 4.571 4.480 0.000 0.000 0.351 1179 M C 1.077 177.174 176.300 -0.339 0.000 1.180 1179 M CA 0.126 55.494 55.300 0.112 0.000 1.127 1179 M CB 1.453 34.093 32.600 0.067 0.000 1.546 1179 M HN -0.272 nan 8.290 nan 0.000 0.461 1180 S N 2.847 118.173 115.700 -0.625 0.000 2.593 1180 S HA 0.261 4.731 4.470 0.000 0.000 0.269 1180 S C -2.085 171.941 174.600 -0.956 0.000 1.334 1180 S CA -1.105 56.296 58.200 -1.332 0.000 1.015 1180 S CB 0.657 63.405 63.200 -0.753 0.000 0.912 1180 S HN 0.441 nan 8.310 nan 0.000 0.541 1181 P HA -0.210 nan 4.420 nan 0.000 0.215 1181 P C 1.676 178.660 177.300 -0.527 0.000 1.163 1181 P CA 1.736 64.395 63.100 -0.734 0.000 0.894 1181 P CB -0.126 31.009 31.700 -0.942 0.000 0.791 1182 E N -0.585 119.299 120.200 -0.526 0.000 2.204 1182 E HA -0.110 4.240 4.350 0.000 0.000 0.194 1182 E C 1.731 178.114 176.600 -0.362 0.000 0.989 1182 E CA 1.368 57.551 56.400 -0.360 0.000 0.824 1182 E CB -1.130 28.398 29.700 -0.287 0.000 0.756 1182 E HN 0.147 nan 8.360 nan 0.000 0.477 1183 S N 0.953 116.372 115.700 -0.468 0.000 2.371 1183 S HA 0.064 4.534 4.470 0.000 0.000 0.224 1183 S C 2.082 176.455 174.600 -0.379 0.000 1.029 1183 S CA 0.656 58.497 58.200 -0.597 0.000 0.978 1183 S CB -0.167 62.572 63.200 -0.768 0.000 0.833 1183 S HN 0.230 nan 8.310 nan 0.000 0.466 1184 L N 0.963 122.007 121.223 -0.298 0.000 2.141 1184 L HA -0.036 4.304 4.340 0.000 0.000 0.209 1184 L C 2.512 179.292 176.870 -0.151 0.000 1.094 1184 L CA 1.110 55.839 54.840 -0.185 0.000 0.763 1184 L CB -0.312 41.633 42.059 -0.191 0.000 0.908 1184 L HN 0.224 nan 8.230 nan 0.000 0.437 1185 K N -0.526 119.766 120.400 -0.180 0.000 2.098 1185 K HA -0.083 4.237 4.320 0.000 0.000 0.203 1185 K C 0.925 177.464 176.600 -0.102 0.000 1.051 1185 K CA 1.161 57.372 56.287 -0.127 0.000 0.957 1185 K CB 0.353 32.777 32.500 -0.127 0.000 0.738 1185 K HN 0.273 nan 8.250 nan 0.000 0.447 1186 D N -2.121 118.202 120.400 -0.128 0.000 2.489 1186 D HA 0.097 4.737 4.640 0.000 0.000 0.231 1186 D C 0.523 176.774 176.300 -0.081 0.000 1.114 1186 D CA 0.709 54.655 54.000 -0.090 0.000 0.842 1186 D CB 1.426 42.175 40.800 -0.085 0.000 1.133 1186 D HN 0.350 nan 8.370 nan 0.000 0.506 1187 G N 1.537 110.252 108.800 -0.141 0.000 2.149 1187 G HA2 -0.237 3.723 3.960 0.000 0.000 0.235 1187 G HA3 -0.237 3.723 3.960 0.000 0.000 0.235 1187 G C 0.066 174.899 174.900 -0.112 0.000 1.018 1187 G CA 0.079 45.127 45.100 -0.086 0.000 0.728 1187 G HN 0.247 nan 8.290 nan 0.000 0.508 1188 V N 0.536 120.279 119.914 -0.286 0.000 2.398 1188 V HA 0.736 4.856 4.120 0.000 0.000 0.286 1188 V C -0.149 175.719 176.094 -0.377 0.000 1.026 1188 V CA -0.583 61.615 62.300 -0.170 0.000 0.868 1188 V CB 1.198 32.963 31.823 -0.096 0.000 0.982 1188 V HN 0.236 nan 8.190 nan 0.000 0.443 1189 F N 3.246 123.208 119.950 0.021 0.000 2.467 1189 F HA 0.700 5.227 4.527 0.000 0.000 0.336 1189 F C 0.636 176.452 175.800 0.028 0.000 1.123 1189 F CA -0.382 57.641 58.000 0.038 0.000 0.964 1189 F CB 2.197 41.232 39.000 0.059 0.000 1.136 1189 F HN 0.574 nan 8.300 nan 0.000 0.447 1190 T N -3.185 111.464 114.554 0.158 0.000 2.831 1190 T HA 0.249 4.599 4.350 0.000 0.000 0.287 1190 T C 0.979 175.684 174.700 0.009 0.000 1.070 1190 T CA -0.062 62.052 62.100 0.024 0.000 1.010 1190 T CB 1.278 70.103 68.868 -0.072 0.000 1.264 1190 T HN 0.584 nan 8.240 nan 0.000 0.532 1191 T N -1.314 113.135 114.554 -0.174 0.000 2.929 1191 T HA -0.156 4.194 4.350 0.000 0.000 0.271 1191 T C 1.249 175.922 174.700 -0.045 0.000 1.085 1191 T CA 1.176 63.225 62.100 -0.086 0.000 1.125 1191 T CB -0.923 67.857 68.868 -0.146 0.000 0.874 1191 T HN 0.594 nan 8.240 nan 0.000 0.494 1192 Y N 2.590 122.933 120.300 0.072 0.000 2.242 1192 Y HA 0.046 4.596 4.550 0.000 0.000 0.291 1192 Y C 3.184 179.158 175.900 0.123 0.000 1.137 1192 Y CA 0.590 58.720 58.100 0.049 0.000 1.181 1192 Y CB -0.905 37.571 38.460 0.028 0.000 0.989 1192 Y HN 0.488 nan 8.280 nan 0.000 0.527 1193 S N -0.890 114.973 115.700 0.271 0.000 2.414 1193 S HA -0.122 4.348 4.470 0.000 0.000 0.227 1193 S C 1.561 176.397 174.600 0.395 0.000 1.022 1193 S CA 1.057 59.421 58.200 0.273 0.000 0.958 1193 S CB -0.322 62.962 63.200 0.140 0.000 0.797 1193 S HN 0.275 nan 8.310 nan 0.000 0.493 1194 D N 1.717 122.338 120.400 0.369 0.000 2.144 1194 D HA -0.029 4.611 4.640 0.000 0.000 0.199 1194 D C 2.036 178.650 176.300 0.523 0.000 0.984 1194 D CA 0.862 55.133 54.000 0.452 0.000 0.834 1194 D CB -0.411 40.673 40.800 0.473 0.000 0.955 1194 D HN 0.306 nan 8.370 nan 0.000 0.465 1195 V N 0.831 120.919 119.914 0.289 0.000 2.343 1195 V HA -0.196 3.924 4.120 0.000 0.000 0.247 1195 V C 2.195 178.521 176.094 0.386 0.000 1.051 1195 V CA 1.314 63.672 62.300 0.097 0.000 1.036 1195 V CB -0.496 31.206 31.823 -0.202 0.000 0.654 1195 V HN 0.407 nan 8.190 nan 0.000 0.451 1196 W N 1.160 122.617 121.300 0.262 0.000 2.317 1196 W HA -0.268 4.392 4.660 0.000 0.000 0.318 1196 W C 2.535 179.318 176.519 0.441 0.000 1.227 1196 W CA 2.404 59.964 57.345 0.358 0.000 1.269 1196 W CB -0.703 28.909 29.460 0.254 0.000 1.155 1196 W HN 0.316 nan 8.180 nan 0.000 0.484 1197 S N 0.762 116.897 115.700 0.725 0.000 2.383 1197 S HA -0.254 4.216 4.470 0.000 0.000 0.229 1197 S C 1.536 176.445 174.600 0.514 0.000 1.030 1197 S CA 1.682 60.261 58.200 0.632 0.000 1.002 1197 S CB -1.066 62.467 63.200 0.555 0.000 0.829 1197 S HN 0.346 nan 8.310 nan 0.000 0.467 1198 F N 2.523 122.688 119.950 0.359 0.000 2.120 1198 F HA -0.120 4.407 4.527 0.000 0.000 0.300 1198 F C 2.235 178.152 175.800 0.195 0.000 1.095 1198 F CA 1.333 59.509 58.000 0.294 0.000 1.249 1198 F CB -1.000 38.247 39.000 0.412 0.000 0.995 1198 F HN 0.216 nan 8.300 nan 0.000 0.480 1199 G N -0.197 108.689 108.800 0.144 0.000 2.418 1199 G HA2 -0.219 3.741 3.960 0.000 0.000 0.217 1199 G HA3 -0.219 3.741 3.960 0.000 0.000 0.217 1199 G C 1.723 176.746 174.900 0.205 0.000 1.158 1199 G CA 1.259 46.286 45.100 -0.121 0.000 0.771 1199 G HN 0.347 nan 8.290 nan 0.000 0.545 1200 V N 1.221 121.346 119.914 0.351 0.000 2.407 1200 V HA -0.180 3.940 4.120 0.000 0.000 0.248 1200 V C 3.115 179.393 176.094 0.307 0.000 1.055 1200 V CA 1.726 64.176 62.300 0.251 0.000 1.049 1200 V CB -0.461 31.358 31.823 -0.008 0.000 0.662 1200 V HN 0.422 nan 8.190 nan 0.000 0.455 1201 V N -1.861 118.203 119.914 0.250 0.000 2.719 1201 V HA -0.085 4.035 4.120 0.000 0.000 0.252 1201 V C 2.100 178.216 176.094 0.036 0.000 1.065 1201 V CA 1.354 63.772 62.300 0.196 0.000 1.086 1201 V CB -0.469 31.439 31.823 0.142 0.000 0.700 1201 V HN 0.426 nan 8.190 nan 0.000 0.467 1202 L N -1.309 119.838 121.223 -0.127 0.000 1.976 1202 L HA -0.144 4.196 4.340 0.000 0.000 0.209 1202 L C 2.477 179.361 176.870 0.023 0.000 1.071 1202 L CA 2.701 57.441 54.840 -0.167 0.000 0.746 1202 L CB -0.739 41.132 42.059 -0.313 0.000 0.890 1202 L HN 0.559 nan 8.230 nan 0.000 0.432 1203 W N 1.338 122.625 121.300 -0.023 0.000 2.304 1203 W HA -0.271 4.389 4.660 0.000 0.000 0.315 1203 W C 2.561 179.093 176.519 0.021 0.000 1.233 1203 W CA 2.071 59.450 57.345 0.057 0.000 1.261 1203 W CB -0.082 29.474 29.460 0.159 0.000 1.150 1203 W HN 0.144 nan 8.180 nan 0.000 0.494 1204 E N -0.283 120.097 120.200 0.301 0.000 2.058 1204 E HA -0.266 4.084 4.350 0.000 0.000 0.194 1204 E C 2.098 178.706 176.600 0.013 0.000 0.997 1204 E CA 1.938 58.454 56.400 0.195 0.000 0.801 1204 E CB -0.580 29.308 29.700 0.314 0.000 0.746 1204 E HN 0.391 nan 8.360 nan 0.000 0.450 1205 I N 1.040 121.614 120.570 0.008 0.000 2.179 1205 I HA -0.241 3.929 4.170 0.000 0.000 0.242 1205 I C 2.531 178.588 176.117 -0.100 0.000 1.088 1205 I CA 1.018 62.304 61.300 -0.024 0.000 1.357 1205 I CB -0.472 37.517 38.000 -0.019 0.000 1.051 1205 I HN 0.037 nan 8.210 nan 0.000 0.409 1206 A N 0.455 123.177 122.820 -0.164 0.000 2.172 1206 A HA -0.137 4.183 4.320 0.000 0.000 0.216 1206 A C 1.999 179.395 177.584 -0.314 0.000 1.154 1206 A CA 1.906 53.810 52.037 -0.221 0.000 0.701 1206 A CB -0.790 18.076 19.000 -0.224 0.000 0.789 1206 A HN 0.567 nan 8.150 nan 0.000 0.465 1207 T N -3.848 110.472 114.554 -0.390 0.000 3.132 1207 T HA 0.447 4.797 4.350 0.000 0.000 0.274 1207 T C 0.347 174.908 174.700 -0.232 0.000 1.011 1207 T CA 0.003 61.855 62.100 -0.413 0.000 0.899 1207 T CB -0.657 67.769 68.868 -0.737 0.000 1.089 1207 T HN 0.549 nan 8.240 nan 0.000 0.543 1208 L N 0.825 121.954 121.223 -0.158 0.000 3.762 1208 L HA -0.238 4.102 4.340 0.000 0.000 0.460 1208 L C 0.868 177.706 176.870 -0.054 0.000 1.255 1208 L CA 0.225 55.008 54.840 -0.095 0.000 0.783 1208 L CB -2.494 39.504 42.059 -0.102 0.000 1.600 1208 L HN 0.855 nan 8.230 nan 0.000 0.862 1209 A N -0.408 122.402 122.820 -0.018 0.000 2.815 1209 A HA -0.196 4.124 4.320 0.000 0.000 0.292 1209 A C 0.501 178.135 177.584 0.083 0.000 1.457 1209 A CA 1.430 53.509 52.037 0.070 0.000 0.735 1209 A CB -1.187 17.859 19.000 0.076 0.000 1.056 1209 A HN 0.703 nan 8.150 nan 0.000 0.474 1210 E N -0.207 120.026 120.200 0.055 0.000 2.318 1210 E HA 0.344 4.694 4.350 0.000 0.000 0.265 1210 E C 0.520 177.285 176.600 0.275 0.000 1.069 1210 E CA -0.570 55.897 56.400 0.110 0.000 0.893 1210 E CB 0.490 30.200 29.700 0.016 0.000 1.076 1210 E HN 0.583 nan 8.360 nan 0.000 0.414 1211 Q N 3.300 123.231 119.800 0.217 0.000 2.297 1211 Q HA 0.160 4.500 4.340 0.000 0.000 0.267 1211 Q C -2.259 173.788 176.000 0.079 0.000 1.006 1211 Q CA -1.782 54.127 55.803 0.178 0.000 0.896 1211 Q CB 0.686 29.505 28.738 0.135 0.000 1.186 1211 Q HN 0.172 nan 8.270 nan 0.000 0.392 1212 P HA -0.077 nan 4.420 nan 0.000 0.268 1212 P C -1.251 175.739 177.300 -0.518 0.000 1.204 1212 P CA 0.382 63.002 63.100 -0.800 0.000 0.768 1212 P CB 0.075 31.139 31.700 -1.061 0.000 0.842 1213 Y N -0.740 119.285 120.300 -0.459 0.000 3.491 1213 Y HA -0.282 4.268 4.550 0.000 0.000 0.215 1213 Y C 0.978 176.768 175.900 -0.184 0.000 1.219 1213 Y CA 0.410 58.320 58.100 -0.316 0.000 1.485 1213 Y CB -2.715 35.560 38.460 -0.309 0.000 1.450 1213 Y HN 0.439 nan 8.280 nan 0.000 0.603 1214 Q N 1.208 120.989 119.800 -0.032 0.000 2.304 1214 Q HA 0.280 4.620 4.340 0.000 0.000 0.301 1214 Q C 1.463 177.456 176.000 -0.011 0.000 1.063 1214 Q CA 1.430 57.240 55.803 0.010 0.000 0.947 1214 Q CB 0.478 29.242 28.738 0.043 0.000 1.201 1214 Q HN 0.922 nan 8.270 nan 0.000 0.389 1215 G N 3.069 111.863 108.800 -0.009 0.000 2.194 1215 G HA2 -0.208 3.752 3.960 0.000 0.000 0.236 1215 G HA3 -0.208 3.752 3.960 0.000 0.000 0.236 1215 G C -0.182 174.689 174.900 -0.047 0.000 0.987 1215 G CA 0.128 45.212 45.100 -0.027 0.000 0.635 1215 G HN 0.521 nan 8.290 nan 0.000 0.520 1216 L N 1.789 122.983 121.223 -0.050 0.000 2.346 1216 L HA 0.653 4.993 4.340 0.000 0.000 0.274 1216 L C 0.895 177.744 176.870 -0.035 0.000 1.007 1216 L CA -0.489 54.309 54.840 -0.070 0.000 0.818 1216 L CB 1.975 43.952 42.059 -0.137 0.000 1.284 1216 L HN 0.344 nan 8.230 nan 0.000 0.424 1217 S N 0.320 116.001 115.700 -0.032 0.000 2.617 1217 S HA 0.190 4.660 4.470 0.000 0.000 0.269 1217 S C 0.818 175.407 174.600 -0.017 0.000 1.292 1217 S CA -0.788 57.404 58.200 -0.013 0.000 1.010 1217 S CB 1.079 64.273 63.200 -0.010 0.000 0.944 1217 S HN 0.590 nan 8.310 nan 0.000 0.536 1218 N N 1.620 120.322 118.700 0.002 0.000 2.133 1218 N HA -0.174 4.566 4.740 0.000 0.000 0.193 1218 N C 1.486 176.987 175.510 -0.016 0.000 1.012 1218 N CA 1.485 54.537 53.050 0.002 0.000 0.871 1218 N CB -0.516 37.987 38.487 0.026 0.000 1.011 1218 N HN 0.702 nan 8.380 nan 0.000 0.435 1219 E N 0.986 121.179 120.200 -0.011 0.000 2.110 1219 E HA -0.149 4.201 4.350 0.000 0.000 0.193 1219 E C 1.823 178.411 176.600 -0.021 0.000 0.988 1219 E CA 0.997 57.389 56.400 -0.013 0.000 0.804 1219 E CB 0.038 29.733 29.700 -0.007 0.000 0.745 1219 E HN 0.551 nan 8.360 nan 0.000 0.458 1220 Q N -0.216 119.567 119.800 -0.029 0.000 2.008 1220 Q HA -0.071 4.269 4.340 0.000 0.000 0.196 1220 Q C 2.425 178.402 176.000 -0.039 0.000 0.973 1220 Q CA 1.055 56.840 55.803 -0.031 0.000 0.826 1220 Q CB -0.066 28.642 28.738 -0.051 0.000 0.894 1220 Q HN 0.058 nan 8.270 nan 0.000 0.439 1221 V N 1.704 121.560 119.914 -0.097 0.000 2.252 1221 V HA -0.334 3.786 4.120 0.000 0.000 0.255 1221 V C 2.254 178.263 176.094 -0.141 0.000 1.071 1221 V CA 1.790 63.973 62.300 -0.195 0.000 1.050 1221 V CB -0.764 30.901 31.823 -0.263 0.000 0.654 1221 V HN 0.410 nan 8.190 nan 0.000 0.448 1222 L N 0.461 121.623 121.223 -0.102 0.000 1.976 1222 L HA -0.239 4.101 4.340 0.000 0.000 0.223 1222 L C 2.774 179.600 176.870 -0.072 0.000 1.081 1222 L CA 2.318 57.106 54.840 -0.087 0.000 0.784 1222 L CB -1.292 40.735 42.059 -0.052 0.000 0.896 1222 L HN 0.373 nan 8.230 nan 0.000 0.438 1223 R N -1.078 119.404 120.500 -0.030 0.000 2.073 1223 R HA -0.206 4.134 4.340 0.000 0.000 0.234 1223 R C 2.208 178.511 176.300 0.005 0.000 1.134 1223 R CA 1.625 57.717 56.100 -0.012 0.000 0.952 1223 R CB -1.565 28.739 30.300 0.008 0.000 0.850 1223 R HN 0.445 nan 8.270 nan 0.000 0.433 1224 F N 1.912 121.789 119.950 -0.121 0.000 2.091 1224 F HA -0.218 4.309 4.527 0.000 0.000 0.299 1224 F C 2.210 177.940 175.800 -0.117 0.000 1.103 1224 F CA 1.369 59.300 58.000 -0.115 0.000 1.228 1224 F CB -0.285 38.627 39.000 -0.146 0.000 0.984 1224 F HN -0.259 nan 8.300 nan 0.000 0.477 1225 V N 0.550 120.341 119.914 -0.206 0.000 2.358 1225 V HA -0.318 3.802 4.120 0.000 0.000 0.246 1225 V C 2.454 178.424 176.094 -0.208 0.000 1.047 1225 V CA 2.176 64.301 62.300 -0.292 0.000 1.035 1225 V CB -0.491 31.172 31.823 -0.266 0.000 0.658 1225 V HN 0.415 nan 8.190 nan 0.000 0.452 1226 M N -0.737 118.771 119.600 -0.154 0.000 2.159 1226 M HA -0.211 4.269 4.480 0.000 0.000 0.263 1226 M C 1.957 178.291 176.300 0.055 0.000 1.063 1226 M CA 1.763 57.020 55.300 -0.072 0.000 1.110 1226 M CB -0.315 32.239 32.600 -0.076 0.000 1.374 1226 M HN 0.301 nan 8.290 nan 0.000 0.411 1227 E N -0.747 119.422 120.200 -0.051 0.000 2.511 1227 E HA 0.025 4.375 4.350 0.000 0.000 0.196 1227 E C 0.862 177.380 176.600 -0.137 0.000 1.066 1227 E CA 0.402 56.750 56.400 -0.086 0.000 0.871 1227 E CB 0.146 29.787 29.700 -0.099 0.000 0.863 1227 E HN 0.676 nan 8.360 nan 0.000 0.520 1228 G N 0.301 109.060 108.800 -0.069 0.000 2.159 1228 G HA2 -0.180 3.780 3.960 0.000 0.000 0.170 1228 G HA3 -0.180 3.780 3.960 0.000 0.000 0.170 1228 G C 0.447 175.223 174.900 -0.208 0.000 1.007 1228 G CA -0.473 44.604 45.100 -0.039 0.000 0.672 1228 G HN 0.448 nan 8.290 nan 0.000 0.507 1229 G N -0.486 107.937 108.800 -0.628 0.000 2.614 1229 G HA2 0.546 4.506 3.960 0.000 0.000 0.239 1229 G HA3 0.546 4.506 3.960 0.000 0.000 0.239 1229 G C -0.035 174.621 174.900 -0.407 0.000 1.240 1229 G CA 0.017 44.368 45.100 -1.248 0.000 0.842 1229 G HN 0.811 nan 8.290 nan 0.000 0.584 1230 L N 0.186 121.412 121.223 0.004 0.000 2.434 1230 L HA 0.346 4.686 4.340 0.000 0.000 0.260 1230 L C -0.154 176.834 176.870 0.197 0.000 0.983 1230 L CA -0.953 53.951 54.840 0.107 0.000 0.820 1230 L CB 2.248 44.410 42.059 0.172 0.000 1.361 1230 L HN 0.340 nan 8.230 nan 0.000 0.410 1231 L N 2.119 123.188 121.223 -0.256 0.000 2.490 1231 L HA 0.056 4.396 4.340 0.000 0.000 0.274 1231 L C 0.139 177.101 176.870 0.153 0.000 1.201 1231 L CA 0.028 54.620 54.840 -0.413 0.000 0.869 1231 L CB 0.074 41.343 42.059 -1.316 0.000 1.123 1231 L HN 0.464 nan 8.230 nan 0.000 0.484 1232 D N 2.999 123.508 120.400 0.182 0.000 2.414 1232 D HA -0.002 4.638 4.640 0.000 0.000 0.242 1232 D C 0.198 176.678 176.300 0.299 0.000 1.129 1232 D CA -0.099 54.044 54.000 0.238 0.000 0.885 1232 D CB 0.855 41.735 40.800 0.134 0.000 1.198 1232 D HN 0.332 nan 8.370 nan 0.000 0.437 1233 K N 3.015 123.302 120.400 -0.189 0.000 2.453 1233 K HA 0.076 4.396 4.320 0.000 0.000 0.280 1233 K C -2.340 174.118 176.600 -0.237 0.000 1.045 1233 K CA -0.981 54.873 56.287 -0.722 0.000 1.059 1233 K CB 0.265 31.829 32.500 -1.559 0.000 0.901 1233 K HN 0.047 nan 8.250 nan 0.000 0.475 1234 P HA -0.016 nan 4.420 nan 0.000 0.266 1234 P C -1.116 176.077 177.300 -0.179 0.000 1.195 1234 P CA -0.051 62.925 63.100 -0.208 0.000 0.768 1234 P CB 0.427 31.914 31.700 -0.354 0.000 0.838 1235 D N 2.496 122.809 120.400 -0.144 0.000 2.434 1235 D HA 0.026 4.666 4.640 0.000 0.000 0.252 1235 D C 0.606 176.834 176.300 -0.120 0.000 1.185 1235 D CA 0.763 54.693 54.000 -0.116 0.000 0.886 1235 D CB -0.622 40.124 40.800 -0.090 0.000 1.148 1235 D HN 0.405 nan 8.370 nan 0.000 0.483 1236 N N 0.101 118.739 118.700 -0.104 0.000 2.999 1236 N HA -0.188 4.552 4.740 0.000 0.000 0.242 1236 N C -0.601 174.851 175.510 -0.096 0.000 1.016 1236 N CA 0.072 53.067 53.050 -0.092 0.000 0.894 1236 N CB -1.175 37.258 38.487 -0.089 0.000 1.113 1236 N HN 0.397 nan 8.380 nan 0.000 0.555 1237 C N 2.018 121.253 119.300 -0.109 0.000 2.325 1237 C HA 0.414 4.874 4.460 0.000 0.000 0.347 1237 C C -1.914 173.044 174.990 -0.054 0.000 1.263 1237 C CA -1.700 57.263 59.018 -0.092 0.000 1.806 1237 C CB -0.198 27.479 27.740 -0.104 0.000 2.405 1237 C HN 0.128 nan 8.230 nan 0.000 0.537 1238 P HA 0.053 nan 4.420 nan 0.000 0.261 1238 P C 0.274 177.584 177.300 0.017 0.000 1.173 1238 P CA 0.622 63.712 63.100 -0.016 0.000 0.760 1238 P CB 0.563 32.251 31.700 -0.021 0.000 0.783 1239 D N 2.182 122.596 120.400 0.023 0.000 2.123 1239 D HA -0.196 4.444 4.640 0.000 0.000 0.196 1239 D C 1.714 178.061 176.300 0.079 0.000 0.992 1239 D CA 1.199 55.239 54.000 0.067 0.000 0.833 1239 D CB -0.463 40.365 40.800 0.047 0.000 0.954 1239 D HN 0.388 nan 8.370 nan 0.000 0.455 1240 M N 0.131 119.749 119.600 0.031 0.000 2.082 1240 M HA -0.178 4.302 4.480 0.000 0.000 0.258 1240 M C 1.937 178.233 176.300 -0.007 0.000 1.069 1240 M CA 1.356 56.660 55.300 0.007 0.000 1.102 1240 M CB -0.402 32.193 32.600 -0.007 0.000 1.336 1240 M HN 0.126 nan 8.290 nan 0.000 0.404 1241 L N 0.275 121.497 121.223 -0.000 0.000 2.046 1241 L HA -0.155 4.185 4.340 0.000 0.000 0.208 1241 L C 2.256 179.107 176.870 -0.031 0.000 1.077 1241 L CA 1.674 56.497 54.840 -0.028 0.000 0.747 1241 L CB -1.013 41.030 42.059 -0.028 0.000 0.896 1241 L HN 0.393 nan 8.230 nan 0.000 0.432 1242 F N -0.287 119.604 119.950 -0.098 0.000 2.365 1242 F HA -0.111 4.416 4.527 0.000 0.000 0.300 1242 F C 2.247 177.969 175.800 -0.130 0.000 1.090 1242 F CA 0.962 58.902 58.000 -0.100 0.000 1.408 1242 F CB -0.008 38.976 39.000 -0.027 0.000 1.060 1242 F HN 0.125 nan 8.300 nan 0.000 0.534 1243 E N 0.544 120.675 120.200 -0.115 0.000 2.072 1243 E HA -0.158 4.192 4.350 0.000 0.000 0.190 1243 E C 2.503 178.933 176.600 -0.283 0.000 0.982 1243 E CA 0.921 57.211 56.400 -0.184 0.000 0.803 1243 E CB -0.699 28.965 29.700 -0.059 0.000 0.755 1243 E HN 0.442 nan 8.360 nan 0.000 0.453 1244 L N 0.311 121.391 121.223 -0.238 0.000 1.970 1244 L HA -0.228 4.112 4.340 0.000 0.000 0.212 1244 L C 2.659 179.258 176.870 -0.453 0.000 1.071 1244 L CA 1.350 56.044 54.840 -0.244 0.000 0.751 1244 L CB -0.369 41.605 42.059 -0.142 0.000 0.889 1244 L HN 0.184 nan 8.230 nan 0.000 0.432 1245 M N -1.078 118.120 119.600 -0.670 0.000 2.108 1245 M HA -0.287 4.193 4.480 0.000 0.000 0.257 1245 M C 2.298 177.669 176.300 -1.548 0.000 1.071 1245 M CA 1.800 56.321 55.300 -1.299 0.000 1.093 1245 M CB -0.580 31.160 32.600 -1.434 0.000 1.345 1245 M HN 0.179 nan 8.290 nan 0.000 0.403 1246 R N -0.101 119.782 120.500 -1.029 0.000 2.115 1246 R HA -0.028 4.312 4.340 0.000 0.000 0.230 1246 R C 2.113 178.207 176.300 -0.343 0.000 1.111 1246 R CA 1.300 57.033 56.100 -0.610 0.000 0.976 1246 R CB -0.313 29.691 30.300 -0.493 0.000 0.870 1246 R HN 0.459 nan 8.270 nan 0.000 0.445 1247 M N -0.357 119.041 119.600 -0.336 0.000 2.156 1247 M HA -0.140 4.340 4.480 0.000 0.000 0.264 1247 M C 2.325 178.525 176.300 -0.166 0.000 1.067 1247 M CA 1.242 56.430 55.300 -0.186 0.000 1.131 1247 M CB -0.200 32.311 32.600 -0.149 0.000 1.368 1247 M HN 0.177 nan 8.290 nan 0.000 0.416 1248 C N -0.638 118.481 119.300 -0.302 0.000 2.422 1248 C HA -0.123 4.337 4.460 0.000 0.000 0.286 1248 C C 1.583 176.532 174.990 -0.068 0.000 1.412 1248 C CA 0.256 59.147 59.018 -0.211 0.000 1.786 1248 C CB -1.204 26.361 27.740 -0.291 0.000 1.835 1248 C HN 0.663 nan 8.230 nan 0.000 0.533 1249 W N -0.300 120.873 121.300 -0.212 0.000 3.123 1249 W HA 0.327 4.987 4.660 0.000 0.000 0.383 1249 W C 0.670 177.266 176.519 0.128 0.000 1.102 1249 W CA -0.761 56.414 57.345 -0.283 0.000 1.865 1249 W CB -1.146 27.941 29.460 -0.621 0.000 1.111 1249 W HN 0.214 nan 8.180 nan 0.000 0.621 1250 Q N 0.563 120.518 119.800 0.259 0.000 2.308 1250 Q HA -0.169 4.171 4.340 0.000 0.000 0.313 1250 Q C 1.080 177.254 176.000 0.289 0.000 1.075 1250 Q CA 0.465 56.398 55.803 0.217 0.000 0.995 1250 Q CB 0.005 28.805 28.738 0.103 0.000 1.107 1250 Q HN 0.357 nan 8.270 nan 0.000 0.380 1251 Y N 3.300 123.695 120.300 0.159 0.000 2.128 1251 Y HA -0.247 4.303 4.550 0.000 0.000 0.284 1251 Y C 0.876 176.796 175.900 0.032 0.000 1.154 1251 Y CA 1.738 59.898 58.100 0.100 0.000 1.149 1251 Y CB 0.239 38.719 38.460 0.034 0.000 0.976 1251 Y HN 0.642 nan 8.280 nan 0.000 0.505 1252 N N 1.388 120.204 118.700 0.193 0.000 2.406 1252 N HA 0.021 4.761 4.740 0.000 0.000 0.265 1252 N C -2.085 173.392 175.510 -0.056 0.000 1.203 1252 N CA -1.665 51.417 53.050 0.053 0.000 0.945 1252 N CB 0.947 39.461 38.487 0.045 0.000 1.165 1252 N HN 0.075 nan 8.380 nan 0.000 0.485 1253 P HA -0.205 nan 4.420 nan 0.000 0.218 1253 P C 0.620 177.603 177.300 -0.527 0.000 1.154 1253 P CA 1.694 64.670 63.100 -0.206 0.000 0.872 1253 P CB 0.253 31.854 31.700 -0.165 0.000 0.790 1254 K N -1.592 118.482 120.400 -0.544 0.000 2.504 1254 K HA 0.036 4.356 4.320 0.000 0.000 0.195 1254 K C 1.373 177.801 176.600 -0.286 0.000 1.036 1254 K CA 0.725 56.661 56.287 -0.584 0.000 0.984 1254 K CB -0.200 32.096 32.500 -0.341 0.000 0.788 1254 K HN 0.152 nan 8.250 nan 0.000 0.488 1255 M N 0.337 119.831 119.600 -0.176 0.000 2.428 1255 M HA 0.075 4.555 4.480 0.000 0.000 0.239 1255 M C 0.170 176.440 176.300 -0.051 0.000 1.121 1255 M CA 0.441 55.694 55.300 -0.078 0.000 1.019 1255 M CB -0.034 32.550 32.600 -0.027 0.000 1.485 1255 M HN -0.075 nan 8.290 nan 0.000 0.484 1256 R N 1.479 121.943 120.500 -0.059 0.000 2.500 1256 R HA 0.343 4.683 4.340 0.000 0.000 0.275 1256 R C -2.083 174.200 176.300 -0.027 0.000 1.051 1256 R CA -1.444 54.646 56.100 -0.016 0.000 1.088 1256 R CB -0.110 30.218 30.300 0.047 0.000 1.063 1256 R HN 0.026 nan 8.270 nan 0.000 0.511 1257 P HA -0.001 nan 4.420 nan 0.000 0.272 1257 P C -0.547 176.692 177.300 -0.101 0.000 1.230 1257 P CA -0.379 62.688 63.100 -0.055 0.000 0.788 1257 P CB 0.890 32.552 31.700 -0.063 0.000 0.949 1258 S N 0.219 115.878 115.700 -0.068 0.000 2.645 1258 S HA 0.228 4.698 4.470 0.000 0.000 0.266 1258 S C 1.029 175.520 174.600 -0.181 0.000 1.258 1258 S CA -0.374 57.761 58.200 -0.110 0.000 0.990 1258 S CB -0.075 63.141 63.200 0.027 0.000 0.967 1258 S HN 0.221 nan 8.310 nan 0.000 0.556 1259 F N 0.257 120.196 119.950 -0.018 0.000 2.216 1259 F HA 0.061 4.588 4.527 0.000 0.000 0.300 1259 F C 2.027 177.834 175.800 0.011 0.000 1.085 1259 F CA 0.737 58.679 58.000 -0.096 0.000 1.326 1259 F CB -0.797 38.132 39.000 -0.119 0.000 1.027 1259 F HN 0.444 nan 8.300 nan 0.000 0.497 1260 L N -0.241 121.142 121.223 0.266 0.000 2.017 1260 L HA -0.211 4.129 4.340 0.000 0.000 0.208 1260 L C 2.376 179.393 176.870 0.246 0.000 1.073 1260 L CA 1.551 56.584 54.840 0.323 0.000 0.745 1260 L CB -0.698 41.526 42.059 0.276 0.000 0.894 1260 L HN 0.170 nan 8.230 nan 0.000 0.432 1261 E N 0.307 120.589 120.200 0.137 0.000 2.085 1261 E HA -0.243 4.107 4.350 0.000 0.000 0.194 1261 E C 2.239 178.862 176.600 0.039 0.000 0.994 1261 E CA 1.351 57.801 56.400 0.084 0.000 0.801 1261 E CB -0.217 29.509 29.700 0.044 0.000 0.743 1261 E HN 0.496 nan 8.360 nan 0.000 0.453 1262 I N 1.285 121.863 120.570 0.014 0.000 2.127 1262 I HA -0.307 3.863 4.170 0.000 0.000 0.241 1262 I C 2.478 178.576 176.117 -0.032 0.000 1.075 1262 I CA 1.300 62.599 61.300 -0.003 0.000 1.334 1262 I CB -0.315 37.673 38.000 -0.020 0.000 1.040 1262 I HN 0.095 nan 8.210 nan 0.000 0.405 1263 I N -0.377 120.161 120.570 -0.053 0.000 2.361 1263 I HA -0.267 3.903 4.170 0.000 0.000 0.251 1263 I C 2.637 178.543 176.117 -0.351 0.000 1.133 1263 I CA 1.091 62.259 61.300 -0.220 0.000 1.413 1263 I CB -0.396 37.434 38.000 -0.283 0.000 1.073 1263 I HN 0.175 nan 8.210 nan 0.000 0.424 1264 S N 0.354 115.941 115.700 -0.189 0.000 2.447 1264 S HA -0.129 4.341 4.470 0.000 0.000 0.233 1264 S C 2.186 176.756 174.600 -0.049 0.000 1.006 1264 S CA 1.526 59.675 58.200 -0.086 0.000 0.957 1264 S CB -0.171 63.115 63.200 0.144 0.000 0.773 1264 S HN 0.626 nan 8.310 nan 0.000 0.507 1265 S N 1.301 116.971 115.700 -0.050 0.000 2.425 1265 S HA 0.089 4.559 4.470 0.000 0.000 0.225 1265 S C 1.511 176.083 174.600 -0.047 0.000 1.024 1265 S CA 0.570 58.752 58.200 -0.029 0.000 0.951 1265 S CB -0.557 62.632 63.200 -0.019 0.000 0.796 1265 S HN 0.742 nan 8.310 nan 0.000 0.498 1266 I N -0.914 119.604 120.570 -0.086 0.000 4.081 1266 I HA 0.379 4.549 4.170 0.000 0.000 0.333 1266 I C 1.634 177.667 176.117 -0.140 0.000 1.413 1266 I CA -0.519 60.723 61.300 -0.096 0.000 1.110 1266 I CB 0.044 37.985 38.000 -0.098 0.000 1.082 1266 I HN 0.122 nan 8.210 nan 0.000 0.402 1267 K N 1.181 121.487 120.400 -0.156 0.000 2.103 1267 K HA -0.167 4.153 4.320 0.000 0.000 0.207 1267 K C 1.513 178.105 176.600 -0.013 0.000 1.048 1267 K CA 1.764 57.963 56.287 -0.146 0.000 0.930 1267 K CB -0.322 32.086 32.500 -0.153 0.000 0.716 1267 K HN 0.214 nan 8.250 nan 0.000 0.444 1268 E N 1.120 121.326 120.200 0.010 0.000 2.268 1268 E HA -0.103 4.247 4.350 0.000 0.000 0.195 1268 E C 0.468 177.075 176.600 0.011 0.000 0.995 1268 E CA 0.951 57.375 56.400 0.040 0.000 0.836 1268 E CB 0.161 29.883 29.700 0.036 0.000 0.763 1268 E HN 0.385 nan 8.360 nan 0.000 0.491 1269 E N -0.706 119.475 120.200 -0.032 0.000 2.499 1269 E HA 0.148 4.498 4.350 0.000 0.000 0.207 1269 E C -0.671 175.883 176.600 -0.076 0.000 1.034 1269 E CA -0.095 56.280 56.400 -0.043 0.000 1.098 1269 E CB 0.312 29.984 29.700 -0.047 0.000 1.148 1269 E HN 0.068 nan 8.360 nan 0.000 0.447 1270 M N 0.934 120.480 119.600 -0.090 0.000 2.404 1270 M HA 0.301 4.781 4.480 0.000 0.000 0.338 1270 M C 0.252 176.544 176.300 -0.014 0.000 1.150 1270 M CA -0.839 54.373 55.300 -0.147 0.000 1.016 1270 M CB 1.309 33.667 32.600 -0.403 0.000 1.672 1270 M HN -0.093 nan 8.290 nan 0.000 0.448 1271 E N 2.514 122.719 120.200 0.008 0.000 2.565 1271 E HA -0.058 4.292 4.350 0.000 0.000 0.268 1271 E C -1.545 175.135 176.600 0.134 0.000 1.000 1271 E CA -0.971 55.471 56.400 0.070 0.000 0.964 1271 E CB -0.082 29.669 29.700 0.086 0.000 0.955 1271 E HN 0.374 nan 8.360 nan 0.000 0.459 1272 P HA -0.159 nan 4.420 nan 0.000 0.216 1272 P C 1.279 178.673 177.300 0.157 0.000 1.150 1272 P CA 1.794 64.967 63.100 0.121 0.000 0.843 1272 P CB 0.135 31.881 31.700 0.077 0.000 0.787 1273 G N -0.754 108.142 108.800 0.161 0.000 2.505 1273 G HA2 -0.345 3.615 3.960 0.000 0.000 0.220 1273 G HA3 -0.345 3.615 3.960 0.000 0.000 0.220 1273 G C 1.343 176.385 174.900 0.235 0.000 1.145 1273 G CA 0.669 45.867 45.100 0.164 0.000 0.761 1273 G HN 0.126 nan 8.290 nan 0.000 0.571 1274 F N 1.802 121.849 119.950 0.161 0.000 2.054 1274 F HA -0.337 4.190 4.527 0.000 0.000 0.294 1274 F C 2.777 178.746 175.800 0.281 0.000 1.126 1274 F CA 2.592 60.733 58.000 0.235 0.000 1.226 1274 F CB -0.687 38.445 39.000 0.219 0.000 0.947 1274 F HN 0.206 nan 8.300 nan 0.000 0.509 1275 R N 0.613 121.323 120.500 0.349 0.000 2.174 1275 R HA -0.259 4.081 4.340 0.000 0.000 0.253 1275 R C 1.854 178.191 176.300 0.062 0.000 1.165 1275 R CA 2.190 58.438 56.100 0.247 0.000 0.984 1275 R CB -0.576 29.675 30.300 -0.082 0.000 0.873 1275 R HN 0.662 nan 8.270 nan 0.000 0.456 1276 E N -0.676 119.533 120.200 0.016 0.000 2.479 1276 E HA -0.003 4.347 4.350 0.000 0.000 0.193 1276 E C 1.151 177.696 176.600 -0.092 0.000 1.049 1276 E CA 0.603 56.980 56.400 -0.037 0.000 0.870 1276 E CB 0.783 30.461 29.700 -0.038 0.000 0.944 1276 E HN 0.369 nan 8.360 nan 0.000 0.492 1277 V N -2.285 117.558 119.914 -0.120 0.000 3.497 1277 V HA 0.213 4.333 4.120 0.000 0.000 0.272 1277 V C 0.813 176.835 176.094 -0.121 0.000 1.474 1277 V CA -0.024 62.125 62.300 -0.251 0.000 1.025 1277 V CB 0.156 31.614 31.823 -0.609 0.000 0.820 1277 V HN 0.220 nan 8.190 nan 0.000 0.437 1278 S N 0.176 115.786 115.700 -0.150 0.000 2.580 1278 S HA 0.409 4.879 4.470 0.000 0.000 0.274 1278 S C 0.630 175.227 174.600 -0.005 0.000 1.329 1278 S CA 0.046 58.134 58.200 -0.187 0.000 1.036 1278 S CB 1.044 63.527 63.200 -1.195 0.000 0.919 1278 S HN 0.475 nan 8.310 nan 0.000 0.515 1279 F N 2.417 122.371 119.950 0.007 0.000 2.293 1279 F HA -0.024 4.503 4.527 0.000 0.000 0.300 1279 F C 1.818 177.653 175.800 0.057 0.000 1.086 1279 F CA 1.063 59.100 58.000 0.061 0.000 1.375 1279 F CB -0.450 38.639 39.000 0.149 0.000 1.045 1279 F HN 0.837 nan 8.300 nan 0.000 0.516 1280 Y N -0.272 119.965 120.300 -0.106 0.000 2.224 1280 Y HA -0.264 4.286 4.550 0.000 0.000 0.289 1280 Y C 1.372 177.081 175.900 -0.318 0.000 1.146 1280 Y CA 2.051 60.010 58.100 -0.235 0.000 1.182 1280 Y CB -0.647 37.684 38.460 -0.214 0.000 0.983 1280 Y HN 0.201 nan 8.280 nan 0.000 0.524 1281 Y N -0.054 120.199 120.300 -0.078 0.000 2.468 1281 Y HA 0.134 4.684 4.550 0.000 0.000 0.268 1281 Y C 1.311 177.111 175.900 -0.168 0.000 1.177 1281 Y CA -0.440 57.599 58.100 -0.101 0.000 1.265 1281 Y CB 0.142 38.592 38.460 -0.015 0.000 1.103 1281 Y HN 0.037 nan 8.280 nan 0.000 0.522 1282 S N -0.671 114.958 115.700 -0.117 0.000 2.655 1282 S HA 0.097 4.567 4.470 0.000 0.000 0.265 1282 S C 1.142 175.651 174.600 -0.151 0.000 1.240 1282 S CA -0.742 57.385 58.200 -0.122 0.000 0.986 1282 S CB 1.192 64.323 63.200 -0.116 0.000 0.985 1282 S HN 0.132 nan 8.310 nan 0.000 0.562 1283 E N 1.261 121.409 120.200 -0.088 0.000 2.028 1283 E HA -0.138 4.212 4.350 0.000 0.000 0.191 1283 E C 2.030 178.580 176.600 -0.083 0.000 0.988 1283 E CA 1.719 58.078 56.400 -0.067 0.000 0.799 1283 E CB -0.758 28.926 29.700 -0.027 0.000 0.755 1283 E HN 0.857 nan 8.360 nan 0.000 0.447 1284 E N 1.106 121.271 120.200 -0.059 0.000 2.187 1284 E HA -0.190 4.160 4.350 0.000 0.000 0.199 1284 E C 1.203 177.734 176.600 -0.114 0.000 1.004 1284 E CA 0.720 57.113 56.400 -0.011 0.000 0.813 1284 E CB -0.241 29.550 29.700 0.152 0.000 0.736 1284 E HN 0.046 nan 8.360 nan 0.000 0.468 1285 N N 0.000 118.486 118.700 -0.356 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 -0.440 0.000 0.885 1285 N CB 0.000 37.940 38.487 -0.912 0.000 1.341 1285 N HN 0.000 nan 8.380 nan 0.000 0.667