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 3hna_1_B DATA FIRST_RESID 976 DATA SEQUENCE ERIVSRDIAR GYERIPIPCV NAVDSEPCPS NYKYVSQNCV TSPMNIDRNI DATA SEQUENCE THLQYCVCID DCSSSNCMCG QLSMRCWYDK DGRLLPEFNM AEPPLIFECN DATA SEQUENCE HACSCWRNCR NRVVQNGLRA RLQLYRTRDM GWGVRSLQDI PPGTFVCEYV DATA SEQUENCE GELISDSEAD VREEDSYLFD LDNKDGEVYC IDARFYGNVS RFINHHCEPN DATA SEQUENCE LVPVRVFMAH QDLRFPRIAF FSTRLIEAGE QLGFDYGERF WDIKGKLFSC DATA SEQUENCE RCGSPKCRHS 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 976 E HA 0.000 nan 4.350 nan 0.000 0.291 976 E C 0.000 176.617 176.600 0.028 0.000 1.382 976 E CA 0.000 56.413 56.400 0.021 0.000 0.976 976 E CB 0.000 29.711 29.700 0.018 0.000 0.812 977 R N 3.938 124.462 120.500 0.040 0.000 2.254 977 R HA 0.463 3.619 4.340 -1.973 0.000 0.318 977 R C 0.001 176.336 176.300 0.058 0.000 1.031 977 R CA -0.445 55.682 56.100 0.045 0.000 0.905 977 R CB 0.897 31.227 30.300 0.050 0.000 1.050 977 R HN 0.379 nan 8.270 nan 0.000 0.456 978 I N 4.215 124.811 120.570 0.044 0.000 2.322 978 I HA 0.003 2.989 4.170 -1.973 0.000 0.292 978 I C 1.463 177.605 176.117 0.042 0.000 1.060 978 I CA -0.215 61.112 61.300 0.045 0.000 1.309 978 I CB 1.226 39.242 38.000 0.027 0.000 1.415 978 I HN 0.563 nan 8.210 nan 0.000 0.492 979 V N 1.750 121.697 119.914 0.055 0.000 3.650 979 V HA 0.214 3.150 4.120 -1.973 0.000 0.271 979 V C 0.628 176.727 176.094 0.009 0.000 1.281 979 V CA 0.180 62.507 62.300 0.044 0.000 1.120 979 V CB 0.215 32.087 31.823 0.083 0.000 0.856 979 V HN 0.664 nan 8.190 nan 0.000 0.443 980 S N 0.406 116.106 115.700 -0.001 0.000 2.543 980 S HA 0.421 3.708 4.470 -1.973 0.000 0.273 980 S C 0.652 175.242 174.600 -0.018 0.000 1.152 980 S CA -0.305 57.883 58.200 -0.021 0.000 0.910 980 S CB 1.862 65.034 63.200 -0.047 0.000 1.105 980 S HN 0.592 nan 8.310 nan 0.000 0.465 981 R N 1.970 122.458 120.500 -0.021 0.000 2.189 981 R HA 0.184 3.340 4.340 -1.973 0.000 0.218 981 R C -0.449 175.832 176.300 -0.033 0.000 1.074 981 R CA 0.934 57.022 56.100 -0.021 0.000 0.991 981 R CB -0.109 30.179 30.300 -0.019 0.000 0.883 981 R HN 0.433 nan 8.270 nan 0.000 0.457 982 D N 0.056 120.427 120.400 -0.049 0.000 2.369 982 D HA 0.045 3.501 4.640 -1.973 0.000 0.212 982 D C 0.595 176.826 176.300 -0.116 0.000 1.326 982 D CA -0.573 53.381 54.000 -0.077 0.000 0.933 982 D CB 1.054 41.811 40.800 -0.072 0.000 1.516 982 D HN 0.182 nan 8.370 nan 0.000 0.557 983 I N 0.749 121.236 120.570 -0.139 0.000 2.756 983 I HA 0.085 3.072 4.170 -1.973 0.000 0.262 983 I C 1.408 177.273 176.117 -0.419 0.000 1.225 983 I CA 1.006 62.210 61.300 -0.159 0.000 1.472 983 I CB 0.080 38.070 38.000 -0.017 0.000 1.094 983 I HN 0.247 nan 8.210 nan 0.000 0.454 984 A N 1.197 123.656 122.820 -0.600 0.000 2.251 984 A HA 0.205 3.341 4.320 -1.973 0.000 0.209 984 A C 1.408 178.863 177.584 -0.214 0.000 1.187 984 A CA -0.189 51.330 52.037 -0.863 0.000 0.823 984 A CB -0.429 18.141 19.000 -0.718 0.000 0.846 984 A HN 0.545 nan 8.150 nan 0.000 0.486 985 R N -1.996 118.436 120.500 -0.113 0.000 3.516 985 R HA -0.236 2.920 4.340 -1.973 0.000 0.271 985 R C 1.014 177.346 176.300 0.053 0.000 1.098 985 R CA 0.493 56.604 56.100 0.017 0.000 0.732 985 R CB -2.545 27.810 30.300 0.093 0.000 1.152 985 R HN 1.548 nan 8.270 nan 0.000 0.455 986 G N -1.654 107.141 108.800 -0.007 0.000 2.179 986 G HA2 -0.391 2.386 3.960 -1.973 0.000 0.260 986 G HA3 -0.391 2.386 3.960 -1.973 0.000 0.260 986 G C 0.372 175.235 174.900 -0.061 0.000 0.977 986 G CA 0.477 45.548 45.100 -0.050 0.000 0.641 986 G HN 0.455 nan 8.290 nan 0.000 0.533 987 Y N 1.034 121.304 120.300 -0.051 0.000 2.519 987 Y HA 0.216 3.582 4.550 -1.974 0.000 0.287 987 Y C 1.831 177.746 175.900 0.024 0.000 1.128 987 Y CA 1.154 59.256 58.100 0.003 0.000 1.282 987 Y CB 0.346 38.839 38.460 0.054 0.000 1.027 987 Y HN 0.297 nan 8.280 nan 0.000 0.551 988 E N -0.215 120.067 120.200 0.137 0.000 2.280 988 E HA 0.194 3.361 4.350 -1.973 0.000 0.261 988 E C 0.786 177.417 176.600 0.051 0.000 1.088 988 E CA -0.442 56.021 56.400 0.105 0.000 0.915 988 E CB 0.657 30.412 29.700 0.092 0.000 1.141 988 E HN 0.225 nan 8.360 nan 0.000 0.433 989 R N 0.247 120.778 120.500 0.051 0.000 2.189 989 R HA -0.012 3.145 4.340 -1.973 0.000 0.223 989 R C 0.876 177.185 176.300 0.015 0.000 1.092 989 R CA 0.898 57.015 56.100 0.029 0.000 0.989 989 R CB -0.175 30.147 30.300 0.037 0.000 0.876 989 R HN 0.383 nan 8.270 nan 0.000 0.457 990 I N -2.475 118.105 120.570 0.016 0.000 3.074 990 I HA 0.516 3.502 4.170 -1.973 0.000 0.310 990 I C -3.060 173.054 176.117 -0.005 0.000 1.153 990 I CA -3.495 57.807 61.300 0.003 0.000 0.993 990 I CB 1.414 39.417 38.000 0.005 0.000 1.237 990 I HN -0.254 nan 8.210 nan 0.000 0.443 991 P HA 0.437 nan 4.420 nan 0.000 0.274 991 P C -0.625 176.661 177.300 -0.023 0.000 1.231 991 P CA -0.098 62.985 63.100 -0.029 0.000 0.790 991 P CB 1.199 32.882 31.700 -0.027 0.000 0.951 992 I N 3.241 123.787 120.570 -0.041 0.000 2.460 992 I HA 0.245 3.231 4.170 -1.973 0.000 0.277 992 I C -2.058 174.046 176.117 -0.023 0.000 1.057 992 I CA -2.562 58.728 61.300 -0.018 0.000 1.179 992 I CB 1.600 39.599 38.000 -0.001 0.000 1.329 992 I HN 0.130 nan 8.210 nan 0.000 0.478 993 P HA 0.046 nan 4.420 nan 0.000 0.274 993 P C -0.723 176.583 177.300 0.011 0.000 1.246 993 P CA -0.374 62.724 63.100 -0.004 0.000 0.795 993 P CB 1.598 33.302 31.700 0.007 0.000 1.006 994 C N 2.360 121.665 119.300 0.010 0.000 2.408 994 C HA 0.684 3.961 4.460 -1.973 0.000 0.321 994 C C -0.243 174.807 174.990 0.100 0.000 1.245 994 C CA -0.258 58.778 59.018 0.031 0.000 1.523 994 C CB -0.011 27.685 27.740 -0.074 0.000 2.178 994 C HN 0.493 nan 8.230 nan 0.000 0.488 995 V N 4.100 124.130 119.914 0.194 0.000 3.001 995 V HA 0.752 3.689 4.120 -1.973 0.000 0.314 995 V C -0.986 175.267 176.094 0.265 0.000 1.099 995 V CA -0.465 61.949 62.300 0.189 0.000 0.989 995 V CB 2.090 33.990 31.823 0.128 0.000 1.040 995 V HN 0.871 nan 8.190 nan 0.000 0.434 996 N N 1.906 120.709 118.700 0.171 0.000 2.558 996 N HA 0.648 4.205 4.740 -1.973 0.000 0.285 996 N C -0.182 175.354 175.510 0.044 0.000 1.112 996 N CA 0.297 53.404 53.050 0.095 0.000 0.857 996 N CB 2.021 40.585 38.487 0.129 0.000 1.376 996 N HN 1.141 nan 8.380 nan 0.000 0.526 997 A N 2.358 125.192 122.820 0.024 0.000 2.500 997 A HA 0.348 3.484 4.320 -1.973 0.000 0.267 997 A C 0.696 178.271 177.584 -0.014 0.000 1.290 997 A CA 0.013 52.057 52.037 0.012 0.000 0.928 997 A CB 0.259 19.272 19.000 0.022 0.000 1.066 997 A HN 0.395 nan 8.150 nan 0.000 0.516 998 V N -0.159 119.726 119.914 -0.049 0.000 2.948 998 V HA 0.168 3.105 4.120 -1.973 0.000 0.234 998 V C 0.525 176.578 176.094 -0.069 0.000 1.205 998 V CA 1.221 63.477 62.300 -0.073 0.000 1.234 998 V CB 0.405 32.148 31.823 -0.133 0.000 1.020 998 V HN 0.738 nan 8.190 nan 0.000 0.491 999 D N -1.734 118.618 120.400 -0.079 0.000 2.867 999 D HA 0.212 3.668 4.640 -1.973 0.000 0.308 999 D C 0.681 176.974 176.300 -0.011 0.000 1.202 999 D CA 0.439 54.410 54.000 -0.048 0.000 1.035 999 D CB 0.738 41.499 40.800 -0.065 0.000 1.427 999 D HN 0.026 nan 8.370 nan 0.000 0.570 1000 S N -1.894 113.811 115.700 0.009 0.000 2.593 1000 S HA 0.056 3.342 4.470 -1.973 0.000 0.217 1000 S C 0.302 174.944 174.600 0.070 0.000 0.966 1000 S CA -0.325 57.896 58.200 0.035 0.000 0.914 1000 S CB -0.456 62.761 63.200 0.028 0.000 0.776 1000 S HN 0.363 nan 8.310 nan 0.000 0.523 1001 E N 4.041 124.297 120.200 0.092 0.000 2.414 1001 E HA 0.225 3.392 4.350 -1.973 0.000 0.263 1001 E C -2.127 174.625 176.600 0.254 0.000 1.000 1001 E CA -1.730 54.781 56.400 0.185 0.000 0.914 1001 E CB 0.218 30.075 29.700 0.261 0.000 0.948 1001 E HN 0.368 nan 8.360 nan 0.000 0.444 1002 P HA 0.031 nan 4.420 nan 0.000 0.276 1002 P C 0.166 177.527 177.300 0.102 0.000 1.261 1002 P CA -0.609 62.573 63.100 0.137 0.000 0.800 1002 P CB 0.683 32.423 31.700 0.068 0.000 1.066 1003 C N 1.955 121.229 119.300 -0.045 0.000 2.538 1003 C HA 0.096 3.372 4.460 -1.973 0.000 0.408 1003 C C -1.870 172.928 174.990 -0.320 0.000 1.421 1003 C CA -0.680 58.145 59.018 -0.321 0.000 1.642 1003 C CB -1.648 25.971 27.740 -0.203 0.000 2.553 1003 C HN 0.417 nan 8.230 nan 0.000 0.604 1004 P HA 0.096 nan 4.420 nan 0.000 0.265 1004 P C -0.067 177.249 177.300 0.026 0.000 1.193 1004 P CA 0.574 63.535 63.100 -0.231 0.000 0.765 1004 P CB 0.551 32.064 31.700 -0.312 0.000 0.823 1005 S N 0.050 115.778 115.700 0.047 0.000 3.009 1005 S HA 0.051 3.337 4.470 -1.973 0.000 0.254 1005 S C 0.554 175.146 174.600 -0.012 0.000 1.004 1005 S CA -0.510 57.677 58.200 -0.023 0.000 1.119 1005 S CB -0.744 62.426 63.200 -0.050 0.000 1.075 1005 S HN 0.423 nan 8.310 nan 0.000 0.618 1006 N N 1.699 120.465 118.700 0.110 0.000 2.327 1006 N HA 0.193 3.749 4.740 -1.973 0.000 0.231 1006 N C -0.229 175.349 175.510 0.114 0.000 1.130 1006 N CA -0.536 52.565 53.050 0.086 0.000 0.845 1006 N CB -0.748 37.791 38.487 0.086 0.000 1.073 1006 N HN 0.800 nan 8.380 nan 0.000 0.496 1007 Y N -2.896 117.334 120.300 -0.116 0.000 2.689 1007 Y HA 0.659 4.026 4.550 -1.973 0.000 0.333 1007 Y C -1.236 174.575 175.900 -0.148 0.000 1.208 1007 Y CA -1.676 56.308 58.100 -0.193 0.000 1.055 1007 Y CB 0.762 39.041 38.460 -0.302 0.000 1.304 1007 Y HN -0.191 nan 8.280 nan 0.000 0.455 1008 K N 1.641 121.800 120.400 -0.402 0.000 2.265 1008 K HA 0.320 3.456 4.320 -1.973 0.000 0.267 1008 K C -1.952 174.537 176.600 -0.185 0.000 0.994 1008 K CA -0.720 55.352 56.287 -0.358 0.000 0.860 1008 K CB 0.400 32.784 32.500 -0.195 0.000 1.099 1008 K HN 0.726 nan 8.250 nan 0.000 0.448 1009 Y N 5.117 125.215 120.300 -0.336 0.000 2.496 1009 Y HA 0.284 3.649 4.550 -1.974 0.000 0.334 1009 Y C -0.269 175.579 175.900 -0.087 0.000 1.080 1009 Y CA 0.065 58.142 58.100 -0.038 0.000 1.355 1009 Y CB 0.480 38.928 38.460 -0.021 0.000 1.193 1009 Y HN 0.356 nan 8.280 nan 0.000 0.523 1010 V N 2.611 122.401 119.914 -0.208 0.000 2.735 1010 V HA 0.430 3.367 4.120 -1.973 0.000 0.310 1010 V C 0.245 176.221 176.094 -0.197 0.000 1.061 1010 V CA -0.091 62.121 62.300 -0.147 0.000 0.913 1010 V CB 1.542 33.307 31.823 -0.096 0.000 1.005 1010 V HN 0.806 nan 8.190 nan 0.000 0.428 1011 S N 2.178 117.866 115.700 -0.019 0.000 2.528 1011 S HA 0.252 3.538 4.470 -1.973 0.000 0.219 1011 S C 0.489 175.103 174.600 0.024 0.000 0.985 1011 S CA -0.029 58.231 58.200 0.101 0.000 0.914 1011 S CB -0.310 63.040 63.200 0.250 0.000 0.776 1011 S HN 0.894 nan 8.310 nan 0.000 0.526 1012 Q N 0.771 120.558 119.800 -0.023 0.000 2.451 1012 Q HA 0.444 3.601 4.340 -1.973 0.000 0.281 1012 Q C -1.243 174.723 176.000 -0.057 0.000 1.099 1012 Q CA -1.119 54.669 55.803 -0.026 0.000 0.806 1012 Q CB 0.957 29.691 28.738 -0.006 0.000 1.419 1012 Q HN 0.109 nan 8.270 nan 0.000 0.427 1013 N N 0.602 119.273 118.700 -0.048 0.000 2.395 1013 N HA 0.103 3.659 4.740 -1.973 0.000 0.246 1013 N C -0.309 175.155 175.510 -0.076 0.000 1.246 1013 N CA 0.253 53.272 53.050 -0.050 0.000 0.879 1013 N CB 0.387 38.860 38.487 -0.024 0.000 1.098 1013 N HN 0.660 nan 8.380 nan 0.000 0.444 1014 C N -1.050 118.195 119.300 -0.092 0.000 3.161 1014 C HA 0.899 4.175 4.460 -1.973 0.000 0.330 1014 C C -0.042 174.877 174.990 -0.119 0.000 1.396 1014 C CA -0.954 57.977 59.018 -0.145 0.000 1.536 1014 C CB 0.848 28.432 27.740 -0.260 0.000 1.978 1014 C HN 0.523 nan 8.230 nan 0.000 0.454 1015 V N -1.050 118.780 119.914 -0.140 0.000 3.040 1015 V HA 0.890 3.826 4.120 -1.973 0.000 0.312 1015 V C 0.429 176.458 176.094 -0.108 0.000 1.115 1015 V CA 0.402 62.648 62.300 -0.091 0.000 0.998 1015 V CB 1.095 32.867 31.823 -0.086 0.000 1.042 1015 V HN 1.302 nan 8.190 nan 0.000 0.433 1016 T N -0.297 114.228 114.554 -0.047 0.000 3.608 1016 T HA 0.220 3.386 4.350 -1.973 0.000 0.213 1016 T C 0.892 175.580 174.700 -0.020 0.000 0.897 1016 T CA 0.660 62.736 62.100 -0.039 0.000 1.533 1016 T CB -0.596 68.272 68.868 0.001 0.000 1.504 1016 T HN 0.818 nan 8.240 nan 0.000 0.446 1017 S N 4.168 119.875 115.700 0.012 0.000 2.558 1017 S HA 0.291 3.577 4.470 -1.973 0.000 0.288 1017 S C -2.267 172.341 174.600 0.015 0.000 1.318 1017 S CA -0.830 57.383 58.200 0.021 0.000 1.056 1017 S CB -0.010 63.220 63.200 0.049 0.000 0.853 1017 S HN 0.511 nan 8.310 nan 0.000 0.505 1018 P HA 0.128 nan 4.420 nan 0.000 0.268 1018 P C -0.838 176.462 177.300 -0.001 0.000 1.204 1018 P CA -0.004 63.084 63.100 -0.019 0.000 0.768 1018 P CB 0.396 32.085 31.700 -0.019 0.000 0.842 1019 M N 2.993 122.550 119.600 -0.073 0.000 2.436 1019 M HA 0.180 3.476 4.480 -1.973 0.000 0.331 1019 M C 0.909 177.096 176.300 -0.188 0.000 1.135 1019 M CA -0.576 54.657 55.300 -0.111 0.000 0.987 1019 M CB 1.329 33.742 32.600 -0.312 0.000 1.687 1019 M HN 0.309 nan 8.290 nan 0.000 0.445 1020 N N 3.372 122.022 118.700 -0.085 0.000 3.250 1020 N HA 0.156 3.713 4.740 -1.973 0.000 0.307 1020 N C -0.529 174.894 175.510 -0.145 0.000 1.355 1020 N CA -0.034 52.972 53.050 -0.072 0.000 1.192 1020 N CB -0.344 38.163 38.487 0.033 0.000 1.478 1020 N HN 0.667 nan 8.380 nan 0.000 0.543 1021 I N 0.493 120.810 120.570 -0.422 0.000 2.662 1021 I HA -0.098 2.888 4.170 -1.973 0.000 0.285 1021 I C 0.612 176.584 176.117 -0.241 0.000 1.161 1021 I CA 0.002 60.984 61.300 -0.531 0.000 1.415 1021 I CB 0.149 37.638 38.000 -0.852 0.000 1.385 1021 I HN 0.152 nan 8.210 nan 0.000 0.552 1022 D N 7.411 127.751 120.400 -0.100 0.000 2.348 1022 D HA 0.030 3.487 4.640 -1.973 0.000 0.259 1022 D C 0.643 176.944 176.300 0.001 0.000 1.296 1022 D CA 0.271 54.275 54.000 0.007 0.000 0.931 1022 D CB 0.441 41.324 40.800 0.139 0.000 1.067 1022 D HN 0.396 nan 8.370 nan 0.000 0.503 1023 R N 2.739 123.222 120.500 -0.028 0.000 2.546 1023 R HA 0.091 3.247 4.340 -1.973 0.000 0.320 1023 R C 0.345 176.641 176.300 -0.006 0.000 1.021 1023 R CA -0.573 55.534 56.100 0.012 0.000 1.088 1023 R CB 0.109 30.398 30.300 -0.018 0.000 1.278 1023 R HN 0.276 nan 8.270 nan 0.000 0.557 1024 N N 2.289 120.936 118.700 -0.088 0.000 2.429 1024 N HA -0.081 3.475 4.740 -1.973 0.000 0.271 1024 N C 0.988 176.435 175.510 -0.104 0.000 1.272 1024 N CA 0.267 53.188 53.050 -0.215 0.000 0.921 1024 N CB 0.575 38.665 38.487 -0.661 0.000 1.128 1024 N HN 0.258 nan 8.380 nan 0.000 0.481 1025 I N 3.067 123.619 120.570 -0.030 0.000 2.454 1025 I HA -0.267 2.720 4.170 -1.973 0.000 0.254 1025 I C 1.772 177.909 176.117 0.033 0.000 1.156 1025 I CA 1.332 62.648 61.300 0.026 0.000 1.433 1025 I CB -0.001 38.022 38.000 0.039 0.000 1.082 1025 I HN 0.679 nan 8.210 nan 0.000 0.432 1026 T N -3.807 110.755 114.554 0.013 0.000 3.118 1026 T HA -0.102 3.064 4.350 -1.973 0.000 0.260 1026 T C 1.423 176.272 174.700 0.247 0.000 1.139 1026 T CA 0.864 63.029 62.100 0.107 0.000 1.085 1026 T CB -0.701 68.218 68.868 0.084 0.000 0.934 1026 T HN 0.545 nan 8.240 nan 0.000 0.518 1027 H N -0.156 118.961 119.070 0.079 0.000 2.551 1027 H HA 0.375 3.746 4.556 -1.974 0.000 0.266 1027 H C 0.406 175.787 175.328 0.088 0.000 0.964 1027 H CA -0.632 55.459 56.048 0.072 0.000 1.180 1027 H CB 0.219 30.021 29.762 0.065 0.000 1.408 1027 H HN 0.288 nan 8.280 nan 0.000 0.563 1028 L N 2.343 123.708 121.223 0.237 0.000 2.453 1028 L HA 0.001 3.157 4.340 -1.973 0.000 0.272 1028 L C 0.213 177.211 176.870 0.212 0.000 1.182 1028 L CA 0.270 55.238 54.840 0.214 0.000 0.858 1028 L CB 0.741 42.907 42.059 0.177 0.000 1.120 1028 L HN 0.237 nan 8.230 nan 0.000 0.474 1029 Q N 3.014 122.873 119.800 0.099 0.000 2.235 1029 Q HA 0.467 3.623 4.340 -1.973 0.000 0.250 1029 Q C -1.391 174.649 176.000 0.066 0.000 0.909 1029 Q CA -0.343 55.429 55.803 -0.052 0.000 0.910 1029 Q CB 1.705 30.363 28.738 -0.132 0.000 1.223 1029 Q HN 0.480 nan 8.270 nan 0.000 0.432 1030 Y N -2.033 118.250 120.300 -0.028 0.000 2.670 1030 Y HA 0.631 3.995 4.550 -1.976 0.000 0.334 1030 Y C -0.738 175.153 175.900 -0.015 0.000 1.185 1030 Y CA -1.757 56.332 58.100 -0.019 0.000 1.053 1030 Y CB 0.336 38.775 38.460 -0.036 0.000 1.298 1030 Y HN 0.771 nan 8.280 nan 0.000 0.459 1031 C N 0.271 119.695 119.300 0.205 0.000 2.349 1031 C HA 0.838 4.114 4.460 -1.973 0.000 0.361 1031 C C 0.896 175.991 174.990 0.175 0.000 1.189 1031 C CA -0.059 59.026 59.018 0.111 0.000 2.155 1031 C CB 0.948 28.736 27.740 0.080 0.000 2.336 1031 C HN 1.294 nan 8.230 nan 0.000 0.540 1032 V N -1.654 118.321 119.914 0.101 0.000 3.006 1032 V HA 0.279 3.216 4.120 -1.973 0.000 0.357 1032 V C 0.510 176.652 176.094 0.080 0.000 1.377 1032 V CA -0.321 62.042 62.300 0.105 0.000 1.198 1032 V CB -1.857 30.013 31.823 0.078 0.000 1.216 1032 V HN 0.983 nan 8.190 nan 0.000 0.520 1033 C N 2.082 121.430 119.300 0.081 0.000 2.611 1033 C HA 0.267 3.544 4.460 -1.973 0.000 0.416 1033 C C 2.011 177.052 174.990 0.084 0.000 1.366 1033 C CA 0.269 59.329 59.018 0.070 0.000 1.761 1033 C CB -0.295 27.487 27.740 0.071 0.000 2.619 1033 C HN 0.825 nan 8.230 nan 0.000 0.606 1034 I N -0.060 120.548 120.570 0.064 0.000 3.956 1034 I HA 0.227 3.213 4.170 -1.973 0.000 0.333 1034 I C 0.539 176.683 176.117 0.045 0.000 1.302 1034 I CA 0.072 61.412 61.300 0.066 0.000 1.122 1034 I CB -0.461 37.568 38.000 0.048 0.000 1.013 1034 I HN 0.657 nan 8.210 nan 0.000 0.405 1035 D N 1.161 121.585 120.400 0.039 0.000 2.602 1035 D HA 0.067 3.524 4.640 -1.973 0.000 0.228 1035 D C 0.155 176.471 176.300 0.027 0.000 1.202 1035 D CA -0.053 53.956 54.000 0.014 0.000 1.084 1035 D CB -0.233 40.572 40.800 0.008 0.000 1.204 1035 D HN 0.162 nan 8.370 nan 0.000 0.629 1036 D N -1.285 119.126 120.400 0.018 0.000 2.427 1036 D HA 0.104 3.560 4.640 -1.973 0.000 0.224 1036 D C 0.112 176.446 176.300 0.057 0.000 1.157 1036 D CA -0.676 53.345 54.000 0.035 0.000 0.828 1036 D CB -1.190 39.617 40.800 0.012 0.000 0.974 1036 D HN 0.450 nan 8.370 nan 0.000 0.498 1037 C N 0.693 120.026 119.300 0.057 0.000 4.432 1037 C HA -0.150 3.126 4.460 -1.973 0.000 0.294 1037 C C 1.721 176.737 174.990 0.044 0.000 1.398 1037 C CA 0.849 59.902 59.018 0.058 0.000 1.988 1037 C CB -3.228 24.562 27.740 0.083 0.000 1.251 1037 C HN 0.618 nan 8.230 nan 0.000 0.791 1038 S N -1.166 114.552 115.700 0.030 0.000 2.540 1038 S HA 0.309 3.595 4.470 -1.973 0.000 0.218 1038 S C 0.497 175.097 174.600 -0.000 0.000 0.977 1038 S CA 0.558 58.769 58.200 0.019 0.000 0.918 1038 S CB 0.216 63.428 63.200 0.021 0.000 0.806 1038 S HN 1.240 nan 8.310 nan 0.000 0.496 1039 S N 1.581 117.279 115.700 -0.002 0.000 2.646 1039 S HA 0.438 3.725 4.470 -1.973 0.000 0.276 1039 S C 1.032 175.615 174.600 -0.029 0.000 1.222 1039 S CA 0.024 58.216 58.200 -0.014 0.000 1.014 1039 S CB 1.438 64.633 63.200 -0.008 0.000 0.991 1039 S HN 0.438 nan 8.310 nan 0.000 0.533 1040 S N 1.526 117.203 115.700 -0.039 0.000 2.603 1040 S HA -0.028 3.258 4.470 -1.973 0.000 0.229 1040 S C 0.899 175.471 174.600 -0.047 0.000 0.972 1040 S CA 0.531 58.698 58.200 -0.055 0.000 0.935 1040 S CB -0.793 62.371 63.200 -0.059 0.000 0.769 1040 S HN 0.752 nan 8.310 nan 0.000 0.536 1041 N N 0.835 119.516 118.700 -0.032 0.000 2.457 1041 N HA 0.098 3.654 4.740 -1.973 0.000 0.180 1041 N C 0.472 175.966 175.510 -0.027 0.000 1.050 1041 N CA 0.240 53.273 53.050 -0.028 0.000 0.906 1041 N CB -0.431 38.045 38.487 -0.018 0.000 0.968 1041 N HN 0.526 nan 8.380 nan 0.000 0.445 1042 C N 1.365 120.653 119.300 -0.020 0.000 2.601 1042 C HA 0.027 3.303 4.460 -1.973 0.000 0.405 1042 C C 2.179 177.154 174.990 -0.025 0.000 1.441 1042 C CA -0.533 58.480 59.018 -0.008 0.000 1.555 1042 C CB -1.063 26.682 27.740 0.008 0.000 2.450 1042 C HN 0.417 nan 8.230 nan 0.000 0.614 1043 M N 5.470 125.053 119.600 -0.029 0.000 2.106 1043 M HA -0.089 3.207 4.480 -1.973 0.000 0.259 1043 M C 1.960 178.226 176.300 -0.057 0.000 1.068 1043 M CA 2.412 57.675 55.300 -0.062 0.000 1.100 1043 M CB -0.883 31.666 32.600 -0.086 0.000 1.351 1043 M HN 0.825 nan 8.290 nan 0.000 0.404 1044 C N -0.213 119.086 119.300 -0.002 0.000 2.457 1044 C HA 0.090 3.366 4.460 -1.973 0.000 0.278 1044 C C 2.737 177.756 174.990 0.048 0.000 1.309 1044 C CA 0.538 59.583 59.018 0.044 0.000 1.735 1044 C CB -2.146 25.664 27.740 0.116 0.000 1.992 1044 C HN 0.762 nan 8.230 nan 0.000 0.493 1045 G N 0.067 108.874 108.800 0.011 0.000 2.418 1045 G HA2 -0.297 2.479 3.960 -1.973 0.000 0.217 1045 G HA3 -0.297 2.479 3.960 -1.973 0.000 0.217 1045 G C 1.551 176.407 174.900 -0.074 0.000 1.158 1045 G CA 1.223 46.298 45.100 -0.042 0.000 0.771 1045 G HN 0.572 nan 8.290 nan 0.000 0.545 1046 Q N 0.139 119.893 119.800 -0.077 0.000 2.124 1046 Q HA 0.054 3.210 4.340 -1.973 0.000 0.202 1046 Q C 2.433 178.376 176.000 -0.096 0.000 0.977 1046 Q CA 1.045 56.794 55.803 -0.090 0.000 0.850 1046 Q CB -0.408 28.276 28.738 -0.091 0.000 0.901 1046 Q HN 0.508 nan 8.270 nan 0.000 0.429 1047 L N -0.335 120.801 121.223 -0.145 0.000 2.191 1047 L HA -0.101 3.056 4.340 -1.973 0.000 0.212 1047 L C 1.810 178.648 176.870 -0.052 0.000 1.103 1047 L CA 1.132 55.789 54.840 -0.304 0.000 0.769 1047 L CB -0.198 41.433 42.059 -0.713 0.000 0.908 1047 L HN 0.103 nan 8.230 nan 0.000 0.438 1048 S N -0.908 114.883 115.700 0.152 0.000 2.631 1048 S HA 0.076 3.362 4.470 -1.973 0.000 0.217 1048 S C 1.191 175.981 174.600 0.316 0.000 0.958 1048 S CA 0.131 58.548 58.200 0.362 0.000 0.920 1048 S CB 0.331 63.718 63.200 0.311 0.000 0.776 1048 S HN 0.304 nan 8.310 nan 0.000 0.517 1049 M N -0.737 118.942 119.600 0.131 0.000 2.832 1049 M HA -0.234 3.062 4.480 -1.973 0.000 0.151 1049 M C 0.395 176.603 176.300 -0.153 0.000 0.691 1049 M CA 1.939 57.276 55.300 0.062 0.000 0.581 1049 M CB -1.372 31.384 32.600 0.260 0.000 2.120 1049 M HN 0.652 nan 8.290 nan 0.000 0.260 1050 R N -0.211 120.024 120.500 -0.442 0.000 2.781 1050 R HA 0.659 3.816 4.340 -1.973 0.000 0.269 1050 R C -0.492 175.353 176.300 -0.757 0.000 1.025 1050 R CA -0.322 55.412 56.100 -0.610 0.000 0.914 1050 R CB 1.981 31.826 30.300 -0.758 0.000 1.236 1050 R HN 0.417 nan 8.270 nan 0.000 0.465 1051 C N 1.663 120.687 119.300 -0.459 0.000 2.651 1051 C HA 0.244 3.521 4.460 -1.973 0.000 0.410 1051 C C 0.382 175.106 174.990 -0.443 0.000 1.372 1051 C CA -0.452 58.367 59.018 -0.331 0.000 1.707 1051 C CB -1.296 26.381 27.740 -0.105 0.000 2.501 1051 C HN 0.856 nan 8.230 nan 0.000 0.598 1052 W N 3.433 124.595 121.300 -0.229 0.000 3.290 1052 W HA 0.269 3.640 4.660 -2.149 0.000 0.287 1052 W C 0.073 176.471 176.519 -0.201 0.000 1.288 1052 W CA -0.584 56.644 57.345 -0.195 0.000 1.725 1052 W CB -0.223 29.146 29.460 -0.151 0.000 1.103 1052 W HN 0.611 nan 8.180 nan 0.000 0.670 1053 Y N 2.091 122.486 120.300 0.158 0.000 2.323 1053 Y HA 0.205 4.665 4.550 -0.150 0.000 0.331 1053 Y C 0.825 176.775 175.900 0.082 0.000 1.092 1053 Y CA -2.085 56.080 58.100 0.109 0.000 1.150 1053 Y CB 0.227 38.747 38.460 0.100 0.000 1.200 1053 Y HN -0.084 nan 8.280 nan 0.000 0.472 1054 D N 0.961 121.514 120.400 0.255 0.000 2.447 1054 D HA 0.106 3.562 4.640 -1.973 0.000 0.265 1054 D C 0.823 177.202 176.300 0.132 0.000 1.250 1054 D CA -0.633 53.461 54.000 0.157 0.000 1.046 1054 D CB 0.589 41.465 40.800 0.127 0.000 1.095 1054 D HN 0.572 nan 8.370 nan 0.000 0.555 1055 K N -1.106 119.347 120.400 0.089 0.000 2.362 1055 K HA -0.093 3.044 4.320 -1.973 0.000 0.200 1055 K C 0.052 176.685 176.600 0.056 0.000 1.046 1055 K CA 1.007 57.334 56.287 0.066 0.000 0.952 1055 K CB -0.134 32.394 32.500 0.048 0.000 0.753 1055 K HN 0.250 nan 8.250 nan 0.000 0.466 1056 D N 0.544 120.983 120.400 0.064 0.000 2.340 1056 D HA 0.073 3.529 4.640 -1.973 0.000 0.217 1056 D C 0.744 177.075 176.300 0.052 0.000 1.081 1056 D CA 0.742 54.774 54.000 0.053 0.000 0.842 1056 D CB 0.854 41.688 40.800 0.057 0.000 0.934 1056 D HN 0.518 nan 8.370 nan 0.000 0.511 1057 G N 1.788 110.621 108.800 0.056 0.000 2.143 1057 G HA2 -0.306 2.471 3.960 -1.973 0.000 0.249 1057 G HA3 -0.306 2.471 3.960 -1.973 0.000 0.249 1057 G C 0.296 175.262 174.900 0.109 0.000 0.981 1057 G CA -0.270 44.824 45.100 -0.011 0.000 0.665 1057 G HN 0.271 nan 8.290 nan 0.000 0.528 1058 R N -0.529 120.083 120.500 0.186 0.000 2.540 1058 R HA 0.630 3.786 4.340 -1.973 0.000 0.287 1058 R C 0.785 177.235 176.300 0.250 0.000 0.980 1058 R CA -0.910 55.328 56.100 0.230 0.000 0.966 1058 R CB 1.081 31.477 30.300 0.159 0.000 1.106 1058 R HN 0.206 nan 8.270 nan 0.000 0.480 1059 L N 3.518 124.835 121.223 0.157 0.000 2.490 1059 L HA 0.058 3.215 4.340 -1.973 0.000 0.274 1059 L C 0.440 177.372 176.870 0.103 0.000 1.201 1059 L CA 0.017 54.846 54.840 -0.017 0.000 0.869 1059 L CB 0.028 41.804 42.059 -0.473 0.000 1.123 1059 L HN 0.358 nan 8.230 nan 0.000 0.484 1060 L N 4.923 126.268 121.223 0.203 0.000 2.483 1060 L HA 0.010 3.166 4.340 -1.973 0.000 0.276 1060 L C -1.178 175.824 176.870 0.221 0.000 1.213 1060 L CA -1.251 53.727 54.840 0.230 0.000 0.843 1060 L CB 0.052 42.292 42.059 0.301 0.000 1.107 1060 L HN 0.468 nan 8.230 nan 0.000 0.487 1061 P HA -0.160 nan 4.420 nan 0.000 0.219 1061 P C 0.715 178.111 177.300 0.160 0.000 1.146 1061 P CA 1.068 64.254 63.100 0.143 0.000 0.808 1061 P CB 0.212 31.977 31.700 0.108 0.000 0.779 1062 E N -1.627 118.698 120.200 0.208 0.000 2.418 1062 E HA -0.045 3.121 4.350 -1.973 0.000 0.197 1062 E C 0.455 177.158 176.600 0.171 0.000 1.026 1062 E CA -0.092 56.435 56.400 0.211 0.000 0.862 1062 E CB -0.787 29.076 29.700 0.272 0.000 0.799 1062 E HN 0.253 nan 8.360 nan 0.000 0.518 1063 F N 2.521 122.461 119.950 -0.017 0.000 2.602 1063 F HA -0.019 3.429 4.527 -1.798 0.000 0.385 1063 F C 0.551 176.160 175.800 -0.318 0.000 1.063 1063 F CA -0.375 57.373 58.000 -0.420 0.000 1.233 1063 F CB 0.360 39.136 39.000 -0.372 0.000 1.067 1063 F HN -0.153 nan 8.300 nan 0.000 0.564 1064 N N 7.213 125.378 118.700 -0.893 0.000 2.448 1064 N HA 0.048 3.605 4.740 -1.973 0.000 0.250 1064 N C 0.585 175.806 175.510 -0.482 0.000 1.136 1064 N CA 0.109 52.843 53.050 -0.528 0.000 0.953 1064 N CB 0.344 38.550 38.487 -0.469 0.000 1.251 1064 N HN 0.817 nan 8.380 nan 0.000 0.502 1065 M N 1.470 121.002 119.600 -0.113 0.000 2.492 1065 M HA -0.010 3.286 4.480 -1.973 0.000 0.262 1065 M C 1.632 177.946 176.300 0.024 0.000 1.090 1065 M CA 0.462 55.797 55.300 0.058 0.000 1.110 1065 M CB 0.154 32.858 32.600 0.173 0.000 1.407 1065 M HN 0.567 nan 8.290 nan 0.000 0.470 1066 A N -0.093 122.712 122.820 -0.026 0.000 1.970 1066 A HA -0.032 3.104 4.320 -1.973 0.000 0.216 1066 A C 1.170 178.737 177.584 -0.028 0.000 1.170 1066 A CA 0.982 53.016 52.037 -0.005 0.000 0.645 1066 A CB 0.033 19.029 19.000 -0.007 0.000 0.816 1066 A HN 0.469 nan 8.150 nan 0.000 0.447 1067 E N 0.261 120.399 120.200 -0.105 0.000 3.352 1067 E HA 0.257 3.423 4.350 -1.973 0.000 0.254 1067 E C -2.935 173.520 176.600 -0.242 0.000 1.229 1067 E CA -2.029 54.301 56.400 -0.117 0.000 0.949 1067 E CB 0.979 30.624 29.700 -0.092 0.000 1.373 1067 E HN 0.155 nan 8.360 nan 0.000 0.392 1068 P HA 0.092 nan 4.420 nan 0.000 0.268 1068 P C -2.399 174.708 177.300 -0.321 0.000 1.204 1068 P CA -0.762 62.074 63.100 -0.440 0.000 0.768 1068 P CB 0.146 31.799 31.700 -0.080 0.000 0.842 1069 P HA 0.134 nan 4.420 nan 0.000 0.274 1069 P C -0.382 176.929 177.300 0.019 0.000 1.246 1069 P CA -0.236 62.772 63.100 -0.154 0.000 0.795 1069 P CB 0.719 32.342 31.700 -0.128 0.000 1.006 1070 L N 1.328 122.641 121.223 0.150 0.000 2.455 1070 L HA 0.206 3.363 4.340 -1.973 0.000 0.272 1070 L C 0.755 177.781 176.870 0.262 0.000 1.174 1070 L CA -0.020 54.942 54.840 0.203 0.000 0.869 1070 L CB -0.336 41.915 42.059 0.320 0.000 1.130 1070 L HN 0.229 nan 8.230 nan 0.000 0.474 1071 I N 3.439 124.094 120.570 0.143 0.000 2.336 1071 I HA 0.250 3.236 4.170 -1.973 0.000 0.292 1071 I C -0.617 175.548 176.117 0.080 0.000 0.991 1071 I CA -0.166 61.252 61.300 0.197 0.000 1.227 1071 I CB 0.997 39.077 38.000 0.133 0.000 1.366 1071 I HN 0.357 nan 8.210 nan 0.000 0.466 1072 F N 5.064 125.159 119.950 0.242 0.000 2.332 1072 F HA 0.342 3.681 4.527 -1.980 0.000 0.368 1072 F C 0.748 176.657 175.800 0.181 0.000 1.110 1072 F CA -0.634 57.502 58.000 0.225 0.000 1.087 1072 F CB 0.784 39.872 39.000 0.148 0.000 1.235 1072 F HN 0.435 nan 8.300 nan 0.000 0.470 1073 E N 1.545 121.916 120.200 0.285 0.000 2.345 1073 E HA 0.229 3.395 4.350 -1.973 0.000 0.259 1073 E C -0.353 176.377 176.600 0.217 0.000 1.117 1073 E CA -0.709 55.841 56.400 0.250 0.000 0.913 1073 E CB 1.028 30.843 29.700 0.191 0.000 1.057 1073 E HN 0.512 nan 8.360 nan 0.000 0.432 1074 C N 2.059 121.468 119.300 0.182 0.000 2.727 1074 C HA 0.079 3.355 4.460 -1.973 0.000 0.401 1074 C C 0.687 175.754 174.990 0.128 0.000 1.294 1074 C CA -0.246 58.862 59.018 0.149 0.000 2.134 1074 C CB -1.003 26.816 27.740 0.131 0.000 2.724 1074 C HN 0.804 nan 8.230 nan 0.000 0.677 1075 N N -0.241 118.520 118.700 0.102 0.000 3.038 1075 N HA 0.333 3.890 4.740 -1.973 0.000 0.307 1075 N C 0.455 175.976 175.510 0.018 0.000 1.441 1075 N CA -0.710 52.390 53.050 0.083 0.000 0.772 1075 N CB 0.222 38.733 38.487 0.040 0.000 1.651 1075 N HN 0.746 nan 8.380 nan 0.000 0.593 1076 H N -2.275 116.791 119.070 -0.006 0.000 2.559 1076 H HA 0.263 3.634 4.556 -1.975 0.000 0.273 1076 H C 0.869 176.131 175.328 -0.109 0.000 1.000 1076 H CA 0.970 56.988 56.048 -0.051 0.000 1.195 1076 H CB -0.340 29.394 29.762 -0.047 0.000 1.368 1076 H HN 0.639 nan 8.280 nan 0.000 0.592 1077 A N 1.054 123.579 122.820 -0.492 0.000 2.132 1077 A HA 0.124 3.260 4.320 -1.973 0.000 0.213 1077 A C 1.285 178.567 177.584 -0.502 0.000 1.154 1077 A CA -0.108 51.581 52.037 -0.581 0.000 0.753 1077 A CB -0.331 18.200 19.000 -0.782 0.000 0.826 1077 A HN 0.422 nan 8.150 nan 0.000 0.469 1078 C N 0.867 120.068 119.300 -0.165 0.000 2.689 1078 C HA 0.272 3.549 4.460 -1.973 0.000 0.409 1078 C C 2.417 177.406 174.990 -0.001 0.000 1.293 1078 C CA 0.430 59.466 59.018 0.030 0.000 2.136 1078 C CB 0.674 28.470 27.740 0.093 0.000 2.719 1078 C HN 0.695 nan 8.230 nan 0.000 0.644 1079 S N 0.375 116.118 115.700 0.071 0.000 2.461 1079 S HA -0.065 3.222 4.470 -1.973 0.000 0.228 1079 S C 0.857 175.509 174.600 0.087 0.000 1.005 1079 S CA 0.521 58.755 58.200 0.057 0.000 0.942 1079 S CB -0.862 62.395 63.200 0.096 0.000 0.776 1079 S HN 0.934 nan 8.310 nan 0.000 0.514 1080 C N -0.157 119.219 119.300 0.126 0.000 2.633 1080 C HA 0.617 3.894 4.460 -1.973 0.000 0.345 1080 C C 0.569 175.692 174.990 0.221 0.000 1.384 1080 C CA -1.741 57.409 59.018 0.220 0.000 2.418 1080 C CB -1.153 26.695 27.740 0.179 0.000 2.425 1080 C HN 0.557 nan 8.230 nan 0.000 0.705 1081 W N -0.128 121.187 121.300 0.026 0.000 2.253 1081 W HA 0.552 4.025 4.660 -1.978 0.000 0.348 1081 W C 1.708 178.242 176.519 0.025 0.000 1.229 1081 W CA -0.432 56.926 57.345 0.022 0.000 1.335 1081 W CB 0.300 29.771 29.460 0.018 0.000 1.165 1081 W HN 0.716 nan 8.180 nan 0.000 0.631 1082 R N 1.909 122.528 120.500 0.198 0.000 2.293 1082 R HA -0.151 3.005 4.340 -1.973 0.000 0.219 1082 R C 1.071 177.449 176.300 0.130 0.000 1.091 1082 R CA 1.624 57.795 56.100 0.119 0.000 1.004 1082 R CB -0.697 29.643 30.300 0.066 0.000 0.865 1082 R HN 0.500 nan 8.270 nan 0.000 0.469 1083 N N -0.527 118.281 118.700 0.180 0.000 2.238 1083 N HA -0.006 3.550 4.740 -1.973 0.000 0.222 1083 N C 0.138 175.710 175.510 0.103 0.000 1.133 1083 N CA 0.111 53.233 53.050 0.120 0.000 0.854 1083 N CB -1.149 37.405 38.487 0.111 0.000 1.041 1083 N HN 0.298 nan 8.380 nan 0.000 0.510 1084 C N -0.256 119.120 119.300 0.126 0.000 2.705 1084 C HA 0.313 3.589 4.460 -1.973 0.000 0.365 1084 C C 2.118 177.160 174.990 0.087 0.000 1.353 1084 C CA -0.762 58.320 59.018 0.108 0.000 2.339 1084 C CB 0.691 28.509 27.740 0.129 0.000 2.576 1084 C HN 0.569 nan 8.230 nan 0.000 0.716 1085 R N 1.004 121.558 120.500 0.090 0.000 2.120 1085 R HA -0.136 3.020 4.340 -1.973 0.000 0.234 1085 R C 0.938 177.333 176.300 0.158 0.000 1.123 1085 R CA 2.010 58.172 56.100 0.104 0.000 0.975 1085 R CB -0.425 29.937 30.300 0.105 0.000 0.866 1085 R HN 0.868 nan 8.270 nan 0.000 0.446 1086 N N 0.854 119.661 118.700 0.178 0.000 2.758 1086 N HA 0.063 3.619 4.740 -1.973 0.000 0.293 1086 N C -1.304 174.340 175.510 0.222 0.000 1.273 1086 N CA -0.086 53.133 53.050 0.281 0.000 1.022 1086 N CB 0.150 38.769 38.487 0.220 0.000 1.334 1086 N HN 0.112 nan 8.380 nan 0.000 0.519 1087 R N -0.344 120.206 120.500 0.083 0.000 2.518 1087 R HA 0.369 3.525 4.340 -1.973 0.000 0.296 1087 R C -0.519 175.673 176.300 -0.180 0.000 1.080 1087 R CA -0.453 55.643 56.100 -0.006 0.000 0.922 1087 R CB 1.557 31.872 30.300 0.024 0.000 1.184 1087 R HN -0.020 nan 8.270 nan 0.000 0.445 1088 V N 1.158 120.890 119.914 -0.304 0.000 3.629 1088 V HA -0.014 2.923 4.120 -1.973 0.000 0.194 1088 V C 1.501 177.325 176.094 -0.449 0.000 1.343 1088 V CA 0.135 62.175 62.300 -0.435 0.000 1.292 1088 V CB 0.367 31.679 31.823 -0.852 0.000 1.287 1088 V HN 0.455 nan 8.190 nan 0.000 0.554 1089 V N 2.308 121.886 119.914 -0.561 0.000 2.490 1089 V HA -0.274 2.662 4.120 -1.973 0.000 0.250 1089 V C 2.541 178.332 176.094 -0.504 0.000 1.061 1089 V CA 2.508 64.234 62.300 -0.958 0.000 1.064 1089 V CB -0.967 30.420 31.823 -0.727 0.000 0.670 1089 V HN 0.839 nan 8.190 nan 0.000 0.461 1090 Q N -0.041 119.606 119.800 -0.254 0.000 2.500 1090 Q HA -0.136 3.020 4.340 -1.973 0.000 0.213 1090 Q C 1.279 177.230 176.000 -0.081 0.000 0.974 1090 Q CA 1.270 56.997 55.803 -0.126 0.000 0.918 1090 Q CB -0.388 28.316 28.738 -0.057 0.000 0.980 1090 Q HN 0.564 nan 8.270 nan 0.000 0.505 1091 N N 0.779 119.419 118.700 -0.100 0.000 2.353 1091 N HA 0.141 3.698 4.740 -1.973 0.000 0.185 1091 N C 0.543 176.072 175.510 0.031 0.000 1.098 1091 N CA 1.066 54.099 53.050 -0.028 0.000 0.872 1091 N CB 0.898 39.368 38.487 -0.028 0.000 0.970 1091 N HN 0.462 nan 8.380 nan 0.000 0.467 1092 G N 0.894 109.726 108.800 0.054 0.000 2.760 1092 G HA2 -0.250 2.527 3.960 -1.973 0.000 0.246 1092 G HA3 -0.250 2.527 3.960 -1.973 0.000 0.246 1092 G C -0.598 174.496 174.900 0.323 0.000 1.359 1092 G CA -0.499 44.711 45.100 0.183 0.000 0.861 1092 G HN 0.311 nan 8.290 nan 0.000 0.541 1093 L N 0.219 121.588 121.223 0.243 0.000 2.559 1093 L HA 0.545 3.701 4.340 -1.973 0.000 0.274 1093 L C 1.494 178.412 176.870 0.079 0.000 1.205 1093 L CA 1.098 56.004 54.840 0.111 0.000 0.907 1093 L CB 0.375 42.476 42.059 0.071 0.000 1.153 1093 L HN 0.680 nan 8.230 nan 0.000 0.490 1094 R N 3.663 124.187 120.500 0.040 0.000 2.383 1094 R HA 0.402 3.558 4.340 -1.973 0.000 0.205 1094 R C 0.553 176.852 176.300 -0.000 0.000 0.875 1094 R CA 0.183 56.301 56.100 0.030 0.000 1.039 1094 R CB 0.125 30.454 30.300 0.048 0.000 1.267 1094 R HN 0.754 nan 8.270 nan 0.000 0.635 1095 A N 2.136 124.935 122.820 -0.035 0.000 2.507 1095 A HA 0.124 3.260 4.320 -1.973 0.000 0.235 1095 A C -0.145 177.427 177.584 -0.021 0.000 1.070 1095 A CA 0.093 52.108 52.037 -0.038 0.000 0.768 1095 A CB 0.263 19.218 19.000 -0.075 0.000 1.011 1095 A HN 0.073 nan 8.150 nan 0.000 0.502 1096 R N 1.608 122.099 120.500 -0.014 0.000 2.235 1096 R HA 0.401 3.558 4.340 -1.973 0.000 0.338 1096 R C -0.717 175.581 176.300 -0.004 0.000 1.087 1096 R CA 0.127 56.223 56.100 -0.007 0.000 0.948 1096 R CB -0.463 29.833 30.300 -0.007 0.000 1.099 1096 R HN 0.631 nan 8.270 nan 0.000 0.483 1097 L N 1.125 122.352 121.223 0.007 0.000 2.332 1097 L HA 0.534 3.690 4.340 -1.973 0.000 0.269 1097 L C 0.250 177.143 176.870 0.039 0.000 1.016 1097 L CA -0.872 53.983 54.840 0.025 0.000 0.809 1097 L CB 1.493 43.574 42.059 0.037 0.000 1.280 1097 L HN 0.348 nan 8.230 nan 0.000 0.447 1098 Q N 1.516 121.356 119.800 0.068 0.000 2.284 1098 Q HA 0.378 3.535 4.340 -1.973 0.000 0.269 1098 Q C -1.872 174.228 176.000 0.166 0.000 1.026 1098 Q CA -0.843 55.012 55.803 0.087 0.000 0.831 1098 Q CB 2.860 31.633 28.738 0.059 0.000 1.322 1098 Q HN 0.482 nan 8.270 nan 0.000 0.419 1099 L N 5.426 126.723 121.223 0.123 0.000 2.305 1099 L HA 0.476 3.633 4.340 -1.973 0.000 0.281 1099 L C -1.450 175.587 176.870 0.279 0.000 1.085 1099 L CA 0.118 55.016 54.840 0.097 0.000 0.813 1099 L CB 0.349 42.311 42.059 -0.161 0.000 1.157 1099 L HN 0.610 nan 8.230 nan 0.000 0.436 1100 Y N 2.589 123.000 120.300 0.185 0.000 2.588 1100 Y HA 0.716 4.081 4.550 -1.974 0.000 0.343 1100 Y C -0.845 175.129 175.900 0.122 0.000 1.065 1100 Y CA -1.570 56.647 58.100 0.194 0.000 1.038 1100 Y CB 0.891 39.392 38.460 0.067 0.000 1.297 1100 Y HN 0.601 nan 8.280 nan 0.000 0.467 1101 R N 2.380 122.737 120.500 -0.237 0.000 2.216 1101 R HA 0.374 3.530 4.340 -1.973 0.000 0.332 1101 R C -0.276 175.743 176.300 -0.469 0.000 1.056 1101 R CA 0.138 55.767 56.100 -0.786 0.000 0.901 1101 R CB 0.355 30.107 30.300 -0.914 0.000 1.039 1101 R HN 0.950 nan 8.270 nan 0.000 0.456 1102 T N 0.887 115.104 114.554 -0.562 0.000 2.816 1102 T HA 0.277 3.443 4.350 -1.973 0.000 0.282 1102 T C 1.013 175.593 174.700 -0.200 0.000 0.993 1102 T CA -0.577 61.351 62.100 -0.286 0.000 0.994 1102 T CB 1.065 69.776 68.868 -0.262 0.000 1.025 1102 T HN 0.591 nan 8.240 nan 0.000 0.529 1103 R N 0.667 121.112 120.500 -0.091 0.000 2.093 1103 R HA 0.006 3.162 4.340 -1.973 0.000 0.224 1103 R C 1.226 177.472 176.300 -0.090 0.000 1.101 1103 R CA 1.621 57.672 56.100 -0.081 0.000 0.979 1103 R CB -0.171 30.108 30.300 -0.035 0.000 0.877 1103 R HN 0.878 nan 8.270 nan 0.000 0.441 1104 D N -1.958 118.394 120.400 -0.080 0.000 2.498 1104 D HA 0.027 3.483 4.640 -1.973 0.000 0.223 1104 D C 0.952 177.206 176.300 -0.077 0.000 1.125 1104 D CA 0.121 54.082 54.000 -0.064 0.000 0.835 1104 D CB 0.318 41.099 40.800 -0.032 0.000 1.086 1104 D HN 0.049 nan 8.370 nan 0.000 0.510 1105 M N 0.820 120.361 119.600 -0.098 0.000 3.320 1105 M HA 0.434 3.730 4.480 -1.973 0.000 0.414 1105 M C 0.532 176.770 176.300 -0.103 0.000 1.553 1105 M CA -0.198 55.049 55.300 -0.088 0.000 0.742 1105 M CB 2.035 34.611 32.600 -0.041 0.000 1.434 1105 M HN 0.137 nan 8.290 nan 0.000 0.505 1106 G N 1.093 109.798 108.800 -0.157 0.000 2.574 1106 G HA2 -0.275 2.501 3.960 -1.973 0.000 0.286 1106 G HA3 -0.275 2.501 3.960 -1.973 0.000 0.286 1106 G C -0.867 173.837 174.900 -0.326 0.000 1.212 1106 G CA -0.158 44.829 45.100 -0.188 0.000 0.979 1106 G HN 0.528 nan 8.290 nan 0.000 0.557 1107 W N 0.863 122.120 121.300 -0.073 0.000 2.303 1107 W HA 0.593 4.069 4.660 -1.974 0.000 0.334 1107 W C 0.801 177.213 176.519 -0.179 0.000 1.197 1107 W CA 0.623 57.851 57.345 -0.195 0.000 1.262 1107 W CB 1.378 30.696 29.460 -0.236 0.000 1.153 1107 W HN 0.955 nan 8.180 nan 0.000 0.596 1108 G N -0.166 108.522 108.800 -0.187 0.000 2.766 1108 G HA2 0.681 3.457 3.960 -1.973 0.000 0.288 1108 G HA3 0.681 3.457 3.960 -1.973 0.000 0.288 1108 G C -2.059 172.844 174.900 0.006 0.000 1.408 1108 G CA -0.885 44.148 45.100 -0.111 0.000 0.852 1108 G HN 0.284 nan 8.290 nan 0.000 0.487 1109 V N 0.337 120.384 119.914 0.221 0.000 2.540 1109 V HA 0.674 3.611 4.120 -1.973 0.000 0.302 1109 V C 0.034 176.338 176.094 0.350 0.000 1.035 1109 V CA -0.823 61.654 62.300 0.294 0.000 0.873 1109 V CB 1.429 33.376 31.823 0.206 0.000 0.992 1109 V HN 1.037 nan 8.190 nan 0.000 0.428 1110 R N 2.128 122.803 120.500 0.291 0.000 2.873 1110 R HA 0.812 3.968 4.340 -1.973 0.000 0.264 1110 R C -0.375 175.942 176.300 0.029 0.000 1.026 1110 R CA -0.528 55.625 56.100 0.088 0.000 1.002 1110 R CB 1.751 31.951 30.300 -0.166 0.000 1.174 1110 R HN 0.529 nan 8.270 nan 0.000 0.488 1111 S N 0.788 116.484 115.700 -0.008 0.000 2.525 1111 S HA 0.279 3.565 4.470 -1.973 0.000 0.278 1111 S C 0.641 175.219 174.600 -0.037 0.000 1.234 1111 S CA -0.911 57.279 58.200 -0.018 0.000 1.058 1111 S CB 0.539 63.728 63.200 -0.020 0.000 0.983 1111 S HN 0.644 nan 8.310 nan 0.000 0.495 1112 L N 3.350 124.556 121.223 -0.029 0.000 2.592 1112 L HA 0.284 3.441 4.340 -1.973 0.000 0.227 1112 L C 0.883 177.737 176.870 -0.026 0.000 1.127 1112 L CA 0.280 55.100 54.840 -0.033 0.000 0.884 1112 L CB -0.082 41.963 42.059 -0.024 0.000 1.065 1112 L HN 0.622 nan 8.230 nan 0.000 0.457 1113 Q N -0.957 118.831 119.800 -0.021 0.000 2.495 1113 Q HA 0.275 3.431 4.340 -1.973 0.000 0.287 1113 Q C -1.259 174.733 176.000 -0.013 0.000 1.078 1113 Q CA -1.059 54.735 55.803 -0.015 0.000 0.793 1113 Q CB 2.314 31.046 28.738 -0.010 0.000 1.459 1113 Q HN -0.094 nan 8.270 nan 0.000 0.422 1114 D N 1.260 121.656 120.400 -0.008 0.000 2.455 1114 D HA 0.207 3.664 4.640 -1.973 0.000 0.241 1114 D C -0.637 175.664 176.300 0.001 0.000 1.138 1114 D CA 0.669 54.667 54.000 -0.003 0.000 0.877 1114 D CB 0.495 41.296 40.800 0.002 0.000 1.187 1114 D HN 0.253 nan 8.370 nan 0.000 0.451 1115 I N 4.066 124.638 120.570 0.004 0.000 2.411 1115 I HA 0.229 3.215 4.170 -1.973 0.000 0.284 1115 I C -2.247 173.886 176.117 0.026 0.000 1.012 1115 I CA -2.210 59.097 61.300 0.011 0.000 1.119 1115 I CB 1.962 39.963 38.000 0.002 0.000 1.261 1115 I HN 0.027 nan 8.210 nan 0.000 0.448 1116 P HA 0.109 nan 4.420 nan 0.000 0.270 1116 P C -2.478 174.862 177.300 0.066 0.000 1.223 1116 P CA -1.037 62.092 63.100 0.048 0.000 0.785 1116 P CB -0.335 31.397 31.700 0.053 0.000 0.923 1117 P HA 0.021 nan 4.420 nan 0.000 0.267 1117 P C 0.819 178.186 177.300 0.112 0.000 1.200 1117 P CA 1.012 64.163 63.100 0.086 0.000 0.772 1117 P CB 0.034 31.779 31.700 0.075 0.000 0.855 1118 G N 1.116 110.001 108.800 0.141 0.000 2.143 1118 G HA2 -0.194 2.582 3.960 -1.973 0.000 0.248 1118 G HA3 -0.194 2.582 3.960 -1.973 0.000 0.248 1118 G C 0.076 175.162 174.900 0.310 0.000 0.991 1118 G CA 0.082 45.282 45.100 0.167 0.000 0.689 1118 G HN 0.633 nan 8.290 nan 0.000 0.522 1119 T N 0.752 115.470 114.554 0.272 0.000 2.845 1119 T HA 0.486 3.652 4.350 -1.973 0.000 0.288 1119 T C 0.013 174.815 174.700 0.169 0.000 0.980 1119 T CA -0.363 61.877 62.100 0.234 0.000 1.071 1119 T CB 1.416 70.346 68.868 0.104 0.000 0.941 1119 T HN 0.544 nan 8.240 nan 0.000 0.487 1120 F N 4.211 124.071 119.950 -0.150 0.000 2.543 1120 F HA 0.267 3.611 4.527 -1.971 0.000 0.375 1120 F C 0.716 176.336 175.800 -0.299 0.000 1.075 1120 F CA -0.253 57.346 58.000 -0.668 0.000 1.225 1120 F CB 0.226 38.859 39.000 -0.612 0.000 1.099 1120 F HN 0.321 nan 8.300 nan 0.000 0.561 1121 V N 4.706 124.031 119.914 -0.981 0.000 2.599 1121 V HA 0.078 3.014 4.120 -1.973 0.000 0.237 1121 V C 0.531 176.042 176.094 -0.972 0.000 1.081 1121 V CA 1.141 63.015 62.300 -0.711 0.000 1.107 1121 V CB 0.045 31.692 31.823 -0.294 0.000 0.808 1121 V HN 1.006 nan 8.190 nan 0.000 0.486 1122 C N -1.469 117.252 119.300 -0.965 0.000 3.275 1122 C HA 0.682 3.959 4.460 -1.973 0.000 0.340 1122 C C -0.764 174.200 174.990 -0.043 0.000 1.366 1122 C CA -1.136 57.582 59.018 -0.499 0.000 1.227 1122 C CB 1.358 29.029 27.740 -0.115 0.000 1.512 1122 C HN 0.500 nan 8.230 nan 0.000 0.461 1123 E N -0.322 119.973 120.200 0.159 0.000 2.202 1123 E HA 0.446 3.613 4.350 -1.973 0.000 0.272 1123 E C -1.725 174.936 176.600 0.102 0.000 0.951 1123 E CA -0.516 55.962 56.400 0.130 0.000 0.813 1123 E CB 1.305 31.082 29.700 0.128 0.000 1.151 1123 E HN 0.702 nan 8.360 nan 0.000 0.398 1124 Y N 4.003 124.210 120.300 -0.155 0.000 2.585 1124 Y HA 0.247 3.611 4.550 -1.977 0.000 0.354 1124 Y C -0.969 174.862 175.900 -0.114 0.000 1.024 1124 Y CA -0.145 57.904 58.100 -0.085 0.000 1.321 1124 Y CB 0.345 38.613 38.460 -0.319 0.000 1.151 1124 Y HN 0.194 nan 8.280 nan 0.000 0.525 1125 V N 5.640 125.389 119.914 -0.276 0.000 2.547 1125 V HA 0.886 3.822 4.120 -1.973 0.000 0.299 1125 V C 0.372 176.326 176.094 -0.233 0.000 1.040 1125 V CA 0.240 62.427 62.300 -0.188 0.000 0.913 1125 V CB 1.170 32.895 31.823 -0.163 0.000 0.992 1125 V HN 0.941 nan 8.190 nan 0.000 0.449 1126 G N 3.089 111.837 108.800 -0.087 0.000 2.450 1126 G HA2 0.302 3.078 3.960 -1.973 0.000 0.273 1126 G HA3 0.302 3.078 3.960 -1.973 0.000 0.273 1126 G C -1.299 173.628 174.900 0.045 0.000 1.221 1126 G CA -0.513 44.572 45.100 -0.024 0.000 0.900 1126 G HN 0.590 nan 8.290 nan 0.000 0.483 1127 E N 0.527 120.798 120.200 0.117 0.000 2.130 1127 E HA 0.435 3.602 4.350 -1.973 0.000 0.284 1127 E C -0.324 176.361 176.600 0.142 0.000 1.018 1127 E CA -0.410 56.061 56.400 0.119 0.000 0.817 1127 E CB 0.605 30.436 29.700 0.217 0.000 1.078 1127 E HN 0.321 nan 8.360 nan 0.000 0.396 1128 L N 7.267 128.557 121.223 0.111 0.000 2.361 1128 L HA 0.307 3.464 4.340 -1.973 0.000 0.278 1128 L C 0.322 177.317 176.870 0.209 0.000 1.113 1128 L CA -0.088 54.858 54.840 0.176 0.000 0.849 1128 L CB 0.009 42.148 42.059 0.134 0.000 1.155 1128 L HN 0.524 nan 8.230 nan 0.000 0.452 1129 I N -0.134 120.602 120.570 0.278 0.000 3.174 1129 I HA 0.611 3.597 4.170 -1.973 0.000 0.313 1129 I C 0.127 176.452 176.117 0.345 0.000 1.155 1129 I CA -0.824 60.638 61.300 0.270 0.000 0.977 1129 I CB 2.252 40.371 38.000 0.198 0.000 1.248 1129 I HN 0.514 nan 8.210 nan 0.000 0.453 1130 S N 0.634 116.487 115.700 0.255 0.000 2.603 1130 S HA 0.099 3.385 4.470 -1.973 0.000 0.268 1130 S C 0.614 175.208 174.600 -0.010 0.000 1.317 1130 S CA 0.105 58.343 58.200 0.063 0.000 1.012 1130 S CB 1.374 64.584 63.200 0.016 0.000 0.926 1130 S HN 0.847 nan 8.310 nan 0.000 0.539 1131 D N 1.371 121.688 120.400 -0.138 0.000 2.133 1131 D HA -0.173 3.284 4.640 -1.973 0.000 0.195 1131 D C 2.034 178.311 176.300 -0.039 0.000 0.997 1131 D CA 1.983 55.934 54.000 -0.082 0.000 0.840 1131 D CB -0.446 40.273 40.800 -0.136 0.000 0.947 1131 D HN 0.569 nan 8.370 nan 0.000 0.452 1132 S N -0.620 115.053 115.700 -0.045 0.000 2.359 1132 S HA -0.249 3.038 4.470 -1.973 0.000 0.224 1132 S C 1.885 176.494 174.600 0.014 0.000 1.035 1132 S CA 1.887 60.078 58.200 -0.015 0.000 1.018 1132 S CB -0.440 62.751 63.200 -0.015 0.000 0.876 1132 S HN 0.306 nan 8.310 nan 0.000 0.448 1133 E N 1.247 121.468 120.200 0.035 0.000 2.072 1133 E HA 0.040 3.207 4.350 -1.973 0.000 0.191 1133 E C 1.989 178.630 176.600 0.069 0.000 0.985 1133 E CA 1.480 57.916 56.400 0.061 0.000 0.801 1133 E CB -0.789 28.963 29.700 0.087 0.000 0.750 1133 E HN 0.518 nan 8.360 nan 0.000 0.452 1134 A N 0.477 123.337 122.820 0.068 0.000 1.978 1134 A HA -0.193 2.943 4.320 -1.973 0.000 0.220 1134 A C 1.934 179.545 177.584 0.044 0.000 1.170 1134 A CA 1.880 53.959 52.037 0.071 0.000 0.636 1134 A CB -0.711 18.330 19.000 0.069 0.000 0.810 1134 A HN 0.306 nan 8.150 nan 0.000 0.448 1135 D N -0.951 119.464 120.400 0.025 0.000 2.348 1135 D HA -0.035 3.422 4.640 -1.973 0.000 0.216 1135 D C 1.510 177.818 176.300 0.014 0.000 0.970 1135 D CA 1.313 55.318 54.000 0.009 0.000 0.889 1135 D CB 0.175 40.973 40.800 -0.002 0.000 0.912 1135 D HN 0.410 nan 8.370 nan 0.000 0.524 1136 V N -2.704 117.229 119.914 0.030 0.000 3.380 1136 V HA 0.374 3.310 4.120 -1.973 0.000 0.307 1136 V C 0.385 176.512 176.094 0.055 0.000 1.434 1136 V CA -0.516 61.805 62.300 0.035 0.000 1.075 1136 V CB 0.025 31.867 31.823 0.032 0.000 0.954 1136 V HN -0.141 nan 8.190 nan 0.000 0.444 1137 R N 3.070 123.612 120.500 0.070 0.000 2.351 1137 R HA 0.170 3.326 4.340 -1.973 0.000 0.321 1137 R C 1.578 177.921 176.300 0.072 0.000 1.182 1137 R CA 0.355 56.516 56.100 0.102 0.000 1.011 1137 R CB 0.787 31.164 30.300 0.129 0.000 1.048 1137 R HN 0.735 nan 8.270 nan 0.000 0.490 1138 E N 2.422 122.665 120.200 0.071 0.000 2.153 1138 E HA -0.186 2.981 4.350 -1.973 0.000 0.194 1138 E C -0.497 176.126 176.600 0.039 0.000 0.988 1138 E CA 1.187 57.613 56.400 0.044 0.000 0.811 1138 E CB 0.176 29.903 29.700 0.045 0.000 0.746 1138 E HN 0.487 nan 8.360 nan 0.000 0.466 1139 E N 2.239 122.477 120.200 0.063 0.000 1.865 1139 E HA 0.018 3.184 4.350 -1.973 0.000 0.269 1139 E C -0.384 176.240 176.600 0.040 0.000 1.177 1139 E CA 0.103 56.528 56.400 0.042 0.000 0.932 1139 E CB 0.407 30.118 29.700 0.019 0.000 1.066 1139 E HN 0.305 nan 8.360 nan 0.000 0.405 1140 D N 0.592 120.995 120.400 0.006 0.000 2.363 1140 D HA -0.014 3.442 4.640 -1.973 0.000 0.214 1140 D C 0.872 177.152 176.300 -0.032 0.000 1.093 1140 D CA -0.088 53.906 54.000 -0.010 0.000 0.837 1140 D CB 0.281 41.045 40.800 -0.059 0.000 0.948 1140 D HN 0.014 nan 8.370 nan 0.000 0.507 1141 S N -0.459 115.197 115.700 -0.072 0.000 2.515 1141 S HA -0.052 3.234 4.470 -1.973 0.000 0.231 1141 S C 0.302 174.669 174.600 -0.389 0.000 0.987 1141 S CA 0.384 58.456 58.200 -0.213 0.000 0.936 1141 S CB -0.325 62.629 63.200 -0.410 0.000 0.766 1141 S HN 0.417 nan 8.310 nan 0.000 0.528 1142 Y N 0.320 120.641 120.300 0.035 0.000 2.641 1142 Y HA 0.433 3.798 4.550 -1.974 0.000 0.248 1142 Y C 0.178 176.184 175.900 0.177 0.000 1.170 1142 Y CA -0.647 57.499 58.100 0.076 0.000 1.201 1142 Y CB 0.020 38.460 38.460 -0.034 0.000 1.232 1142 Y HN 0.049 nan 8.280 nan 0.000 0.537 1143 L N 0.815 122.159 121.223 0.202 0.000 2.380 1143 L HA 0.169 3.325 4.340 -1.973 0.000 0.273 1143 L C -0.818 176.126 176.870 0.124 0.000 1.138 1143 L CA 0.227 55.177 54.840 0.184 0.000 0.832 1143 L CB 0.612 42.733 42.059 0.103 0.000 1.124 1143 L HN 0.143 nan 8.230 nan 0.000 0.454 1144 F N 1.996 121.955 119.950 0.014 0.000 2.553 1144 F HA 0.290 3.635 4.527 -1.970 0.000 0.335 1144 F C -0.285 175.501 175.800 -0.024 0.000 1.148 1144 F CA -1.072 56.856 58.000 -0.120 0.000 0.963 1144 F CB 1.218 39.948 39.000 -0.449 0.000 1.217 1144 F HN 0.419 nan 8.300 nan 0.000 0.441 1145 D N 5.811 126.316 120.400 0.176 0.000 2.390 1145 D HA 0.166 3.623 4.640 -1.973 0.000 0.249 1145 D C 1.116 177.595 176.300 0.299 0.000 1.144 1145 D CA 0.266 54.374 54.000 0.181 0.000 0.880 1145 D CB 1.558 42.391 40.800 0.055 0.000 1.182 1145 D HN 0.583 nan 8.370 nan 0.000 0.451 1146 L N 1.181 122.533 121.223 0.214 0.000 2.418 1146 L HA 0.093 3.249 4.340 -1.973 0.000 0.218 1146 L C 0.835 177.779 176.870 0.123 0.000 1.125 1146 L CA 0.758 55.695 54.840 0.162 0.000 0.835 1146 L CB 0.103 42.233 42.059 0.119 0.000 0.953 1146 L HN 0.349 nan 8.230 nan 0.000 0.454 1147 D N -1.495 118.965 120.400 0.100 0.000 2.736 1147 D HA 0.128 3.585 4.640 -1.973 0.000 0.223 1147 D C -0.487 175.844 176.300 0.052 0.000 1.231 1147 D CA -0.357 53.687 54.000 0.074 0.000 0.818 1147 D CB 1.490 42.323 40.800 0.056 0.000 1.587 1147 D HN -0.186 nan 8.370 nan 0.000 0.463 1148 N N 1.234 119.963 118.700 0.047 0.000 2.236 1148 N HA 0.030 3.587 4.740 -1.973 0.000 0.196 1148 N C 0.274 175.796 175.510 0.020 0.000 1.114 1148 N CA 0.110 53.179 53.050 0.033 0.000 0.859 1148 N CB 0.630 39.141 38.487 0.040 0.000 0.982 1148 N HN 0.443 nan 8.380 nan 0.000 0.493 1149 K N 0.179 120.590 120.400 0.017 0.000 2.117 1149 K HA 0.247 3.383 4.320 -1.973 0.000 0.240 1149 K C -0.508 176.089 176.600 -0.006 0.000 1.031 1149 K CA -0.561 55.732 56.287 0.009 0.000 0.909 1149 K CB 0.864 33.372 32.500 0.013 0.000 1.097 1149 K HN -0.272 nan 8.250 nan 0.000 0.492 1150 D N -0.335 120.061 120.400 -0.008 0.000 2.357 1150 D HA 0.360 3.817 4.640 -1.973 0.000 0.242 1150 D C 0.805 177.089 176.300 -0.025 0.000 1.153 1150 D CA 1.294 55.283 54.000 -0.017 0.000 0.918 1150 D CB 1.048 41.841 40.800 -0.012 0.000 1.181 1150 D HN 0.853 nan 8.370 nan 0.000 0.435 1151 G N 1.072 109.849 108.800 -0.040 0.000 2.501 1151 G HA2 -0.196 2.580 3.960 -1.973 0.000 0.213 1151 G HA3 -0.196 2.580 3.960 -1.973 0.000 0.213 1151 G C -0.464 174.385 174.900 -0.085 0.000 1.158 1151 G CA -0.397 44.677 45.100 -0.045 0.000 1.079 1151 G HN 0.552 nan 8.290 nan 0.000 0.586 1152 E N 0.862 121.017 120.200 -0.075 0.000 1.865 1152 E HA 0.448 3.614 4.350 -1.973 0.000 0.269 1152 E C 0.245 176.725 176.600 -0.200 0.000 1.177 1152 E CA -0.025 56.295 56.400 -0.133 0.000 0.932 1152 E CB 0.038 29.730 29.700 -0.014 0.000 1.066 1152 E HN 1.175 nan 8.360 nan 0.000 0.405 1153 V N 1.501 121.181 119.914 -0.389 0.000 3.078 1153 V HA 0.635 3.571 4.120 -1.973 0.000 0.311 1153 V C -1.247 174.472 176.094 -0.625 0.000 1.138 1153 V CA -0.913 61.191 62.300 -0.327 0.000 1.007 1153 V CB 1.249 32.995 31.823 -0.128 0.000 1.045 1153 V HN 0.407 nan 8.190 nan 0.000 0.432 1154 Y N 0.042 120.291 120.300 -0.086 0.000 2.633 1154 Y HA 0.884 4.250 4.550 -1.973 0.000 0.339 1154 Y C 0.169 176.098 175.900 0.048 0.000 1.045 1154 Y CA -0.595 57.490 58.100 -0.026 0.000 1.098 1154 Y CB 2.249 40.640 38.460 -0.114 0.000 1.296 1154 Y HN 1.007 nan 8.280 nan 0.000 0.494 1155 C N 1.029 120.496 119.300 0.278 0.000 3.171 1155 C HA 0.662 3.939 4.460 -1.973 0.000 0.308 1155 C C -0.723 174.426 174.990 0.264 0.000 1.334 1155 C CA -1.179 57.980 59.018 0.236 0.000 1.473 1155 C CB 1.567 29.416 27.740 0.181 0.000 1.866 1155 C HN 0.582 nan 8.230 nan 0.000 0.465 1156 I N 1.865 122.600 120.570 0.276 0.000 2.362 1156 I HA 0.283 3.269 4.170 -1.973 0.000 0.289 1156 I C -0.818 175.499 176.117 0.333 0.000 0.994 1156 I CA 0.297 61.770 61.300 0.290 0.000 1.158 1156 I CB 1.095 39.285 38.000 0.317 0.000 1.315 1156 I HN 0.586 nan 8.210 nan 0.000 0.451 1157 D N 5.564 126.122 120.400 0.264 0.000 2.373 1157 D HA 0.409 3.865 4.640 -1.973 0.000 0.227 1157 D C 0.369 176.775 176.300 0.177 0.000 1.091 1157 D CA -0.306 53.840 54.000 0.244 0.000 0.840 1157 D CB 1.908 42.840 40.800 0.220 0.000 1.060 1157 D HN 0.620 nan 8.370 nan 0.000 0.502 1158 A N 4.239 127.149 122.820 0.151 0.000 2.379 1158 A HA 0.070 3.207 4.320 -1.973 0.000 0.236 1158 A C 1.840 179.206 177.584 -0.364 0.000 1.272 1158 A CA -0.108 51.866 52.037 -0.106 0.000 0.886 1158 A CB -0.075 18.754 19.000 -0.286 0.000 0.962 1158 A HN 0.448 nan 8.150 nan 0.000 0.504 1159 R N -0.115 120.178 120.500 -0.344 0.000 2.070 1159 R HA -0.051 3.106 4.340 -1.973 0.000 0.233 1159 R C 0.924 176.762 176.300 -0.769 0.000 1.137 1159 R CA 2.283 57.916 56.100 -0.779 0.000 0.945 1159 R CB -0.668 29.184 30.300 -0.747 0.000 0.845 1159 R HN 0.423 nan 8.270 nan 0.000 0.430 1160 F N -2.067 117.769 119.950 -0.190 0.000 2.437 1160 F HA 0.279 3.622 4.527 -1.973 0.000 0.288 1160 F C 0.068 175.548 175.800 -0.534 0.000 1.085 1160 F CA 0.113 57.916 58.000 -0.329 0.000 1.430 1160 F CB 0.105 38.920 39.000 -0.309 0.000 1.120 1160 F HN -0.145 nan 8.300 nan 0.000 0.556 1161 Y N -0.270 120.079 120.300 0.082 0.000 2.338 1161 Y HA 0.651 4.017 4.550 -1.973 0.000 0.333 1161 Y C 0.337 176.171 175.900 -0.111 0.000 0.968 1161 Y CA -1.331 56.768 58.100 -0.002 0.000 1.123 1161 Y CB 1.652 40.110 38.460 -0.003 0.000 1.165 1161 Y HN -0.027 nan 8.280 nan 0.000 0.452 1162 G N 2.135 110.905 108.800 -0.049 0.000 2.623 1162 G HA2 0.386 3.162 3.960 -1.973 0.000 0.290 1162 G HA3 0.386 3.162 3.960 -1.973 0.000 0.290 1162 G C -1.568 173.036 174.900 -0.493 0.000 1.437 1162 G CA -1.060 43.871 45.100 -0.283 0.000 0.798 1162 G HN 0.548 nan 8.290 nan 0.000 0.488 1163 N N -1.472 116.873 118.700 -0.591 0.000 2.823 1163 N HA 0.333 3.889 4.740 -1.973 0.000 0.324 1163 N C 1.364 176.663 175.510 -0.351 0.000 1.336 1163 N CA -0.010 52.529 53.050 -0.853 0.000 0.861 1163 N CB 0.775 38.964 38.487 -0.498 0.000 1.157 1163 N HN 0.634 nan 8.380 nan 0.000 0.585 1164 V N 0.319 120.265 119.914 0.053 0.000 2.568 1164 V HA -0.190 2.747 4.120 -1.973 0.000 0.253 1164 V C 1.815 178.001 176.094 0.153 0.000 1.072 1164 V CA 2.291 64.761 62.300 0.284 0.000 1.084 1164 V CB -1.091 30.920 31.823 0.314 0.000 0.676 1164 V HN 0.683 nan 8.190 nan 0.000 0.469 1165 S N 0.507 116.213 115.700 0.010 0.000 2.447 1165 S HA -0.167 3.120 4.470 -1.973 0.000 0.233 1165 S C 1.828 176.439 174.600 0.018 0.000 1.006 1165 S CA 1.360 59.586 58.200 0.043 0.000 0.957 1165 S CB -0.421 62.856 63.200 0.130 0.000 0.773 1165 S HN 0.864 nan 8.310 nan 0.000 0.507 1166 R N 0.288 120.646 120.500 -0.237 0.000 2.193 1166 R HA -0.017 3.139 4.340 -1.973 0.000 0.229 1166 R C 0.825 177.062 176.300 -0.106 0.000 1.110 1166 R CA 1.295 57.247 56.100 -0.247 0.000 0.988 1166 R CB -0.580 29.323 30.300 -0.661 0.000 0.871 1166 R HN 0.357 nan 8.270 nan 0.000 0.458 1167 F N 1.252 121.256 119.950 0.089 0.000 2.727 1167 F HA 0.361 3.703 4.527 -1.974 0.000 0.302 1167 F C 0.658 176.551 175.800 0.156 0.000 1.097 1167 F CA -0.643 57.432 58.000 0.124 0.000 1.330 1167 F CB 0.257 39.295 39.000 0.064 0.000 1.084 1167 F HN -0.146 nan 8.300 nan 0.000 0.578 1168 I N 1.166 121.933 120.570 0.328 0.000 2.452 1168 I HA -0.007 2.979 4.170 -1.973 0.000 0.287 1168 I C 0.202 176.507 176.117 0.313 0.000 1.079 1168 I CA 0.156 61.624 61.300 0.281 0.000 1.387 1168 I CB 0.088 38.224 38.000 0.226 0.000 1.404 1168 I HN 0.086 nan 8.210 nan 0.000 0.522 1169 N N 4.423 123.236 118.700 0.189 0.000 2.424 1169 N HA 0.057 3.613 4.740 -1.973 0.000 0.257 1169 N C 0.028 175.430 175.510 -0.180 0.000 1.250 1169 N CA -0.533 52.560 53.050 0.071 0.000 0.946 1169 N CB 0.437 38.953 38.487 0.047 0.000 1.175 1169 N HN 0.551 nan 8.380 nan 0.000 0.477 1170 H N 1.447 120.072 119.070 -0.742 0.000 2.652 1170 H HA 0.051 3.423 4.556 -1.972 0.000 0.349 1170 H C -1.055 174.095 175.328 -0.296 0.000 1.099 1170 H CA 0.420 55.884 56.048 -0.975 0.000 1.417 1170 H CB 0.476 29.475 29.762 -1.273 0.000 1.457 1170 H HN 0.544 nan 8.280 nan 0.000 0.568 1171 H N 4.194 122.661 119.070 -1.006 0.000 2.771 1171 H HA 0.160 3.533 4.556 -1.971 0.000 0.361 1171 H C 0.116 175.026 175.328 -0.696 0.000 1.108 1171 H CA -0.547 55.136 56.048 -0.608 0.000 1.201 1171 H CB 1.551 31.156 29.762 -0.261 0.000 1.681 1171 H HN 0.712 nan 8.280 nan 0.000 0.534 1172 C N 1.823 120.883 119.300 -0.400 0.000 2.456 1172 C HA 0.055 3.331 4.460 -1.973 0.000 0.279 1172 C C 0.737 175.767 174.990 0.066 0.000 1.427 1172 C CA 0.337 59.293 59.018 -0.102 0.000 1.778 1172 C CB -0.338 27.348 27.740 -0.090 0.000 1.842 1172 C HN 0.533 nan 8.230 nan 0.000 0.531 1173 E N 1.042 121.427 120.200 0.309 0.000 3.303 1173 E HA 0.243 3.409 4.350 -1.973 0.000 0.215 1173 E C -2.496 174.155 176.600 0.086 0.000 1.181 1173 E CA -1.276 55.240 56.400 0.194 0.000 0.998 1173 E CB 0.446 30.242 29.700 0.159 0.000 1.312 1173 E HN 0.436 nan 8.360 nan 0.000 0.412 1174 P HA 0.104 nan 4.420 nan 0.000 0.277 1174 P C 0.320 177.612 177.300 -0.012 0.000 1.240 1174 P CA -0.286 62.810 63.100 -0.007 0.000 0.798 1174 P CB 0.905 32.664 31.700 0.097 0.000 0.979 1175 N N 1.446 120.117 118.700 -0.048 0.000 2.336 1175 N HA 0.057 3.613 4.740 -1.973 0.000 0.189 1175 N C 0.044 175.599 175.510 0.077 0.000 1.113 1175 N CA 0.402 53.451 53.050 -0.001 0.000 0.858 1175 N CB -0.213 38.247 38.487 -0.045 0.000 0.970 1175 N HN 0.318 nan 8.380 nan 0.000 0.471 1176 L N -0.137 121.168 121.223 0.137 0.000 2.370 1176 L HA 0.632 3.788 4.340 -1.973 0.000 0.266 1176 L C -0.972 176.101 176.870 0.338 0.000 1.002 1176 L CA -1.331 53.645 54.840 0.226 0.000 0.818 1176 L CB 2.577 44.740 42.059 0.173 0.000 1.325 1176 L HN -0.173 nan 8.230 nan 0.000 0.418 1177 V N 3.683 123.826 119.914 0.382 0.000 2.588 1177 V HA 0.619 3.556 4.120 -1.973 0.000 0.304 1177 V C -2.373 173.958 176.094 0.394 0.000 1.042 1177 V CA -2.002 60.530 62.300 0.386 0.000 0.877 1177 V CB 2.813 34.813 31.823 0.295 0.000 0.996 1177 V HN 0.533 nan 8.190 nan 0.000 0.425 1178 P HA 0.351 nan 4.420 nan 0.000 0.280 1178 P C -1.179 176.166 177.300 0.076 0.000 1.244 1178 P CA -0.070 63.020 63.100 -0.017 0.000 0.784 1178 P CB 1.539 33.188 31.700 -0.085 0.000 0.913 1179 V N 4.638 124.579 119.914 0.045 0.000 2.656 1179 V HA 0.387 3.323 4.120 -1.973 0.000 0.307 1179 V C 0.573 176.654 176.094 -0.022 0.000 1.051 1179 V CA -0.882 61.477 62.300 0.099 0.000 0.893 1179 V CB 2.055 34.008 31.823 0.216 0.000 0.999 1179 V HN 0.432 nan 8.190 nan 0.000 0.426 1180 R N 2.486 122.957 120.500 -0.047 0.000 2.298 1180 R HA 0.661 3.817 4.340 -1.973 0.000 0.310 1180 R C -1.066 175.084 176.300 -0.251 0.000 1.068 1180 R CA -0.236 55.758 56.100 -0.177 0.000 0.957 1180 R CB 1.332 31.566 30.300 -0.110 0.000 1.003 1180 R HN 0.532 nan 8.270 nan 0.000 0.454 1181 V N 4.325 123.963 119.914 -0.459 0.000 2.789 1181 V HA 0.493 3.429 4.120 -1.973 0.000 0.311 1181 V C -0.819 174.764 176.094 -0.851 0.000 1.073 1181 V CA -0.877 61.164 62.300 -0.432 0.000 0.921 1181 V CB 1.813 33.529 31.823 -0.177 0.000 1.009 1181 V HN 0.512 nan 8.190 nan 0.000 0.426 1182 F N 3.210 122.964 119.950 -0.327 0.000 2.495 1182 F HA 0.725 4.064 4.527 -1.981 0.000 0.327 1182 F C 0.545 176.242 175.800 -0.171 0.000 1.103 1182 F CA -0.418 57.384 58.000 -0.330 0.000 0.949 1182 F CB 2.014 40.726 39.000 -0.481 0.000 1.142 1182 F HN 0.406 nan 8.300 nan 0.000 0.457 1183 M N 1.169 120.751 119.600 -0.031 0.000 2.953 1183 M HA 0.331 3.627 4.480 -1.973 0.000 0.166 1183 M C 1.799 178.142 176.300 0.071 0.000 2.045 1183 M CA 0.419 55.732 55.300 0.022 0.000 1.492 1183 M CB -0.337 32.243 32.600 -0.033 0.000 1.172 1183 M HN 0.574 nan 8.290 nan 0.000 0.615 1184 A N 0.094 122.946 122.820 0.053 0.000 2.066 1184 A HA -0.015 3.122 4.320 -1.973 0.000 0.218 1184 A C 0.504 178.255 177.584 0.278 0.000 1.157 1184 A CA 1.445 53.606 52.037 0.207 0.000 0.670 1184 A CB -1.036 18.044 19.000 0.134 0.000 0.804 1184 A HN 0.747 nan 8.150 nan 0.000 0.453 1185 H N -4.296 114.906 119.070 0.219 0.000 2.907 1185 H HA 0.723 4.100 4.556 -1.965 0.000 0.361 1185 H C -0.670 174.836 175.328 0.298 0.000 1.194 1185 H CA -0.931 55.249 56.048 0.221 0.000 1.152 1185 H CB 0.782 30.644 29.762 0.166 0.000 1.867 1185 H HN -0.014 nan 8.280 nan 0.000 0.561 1186 Q N 0.117 120.179 119.800 0.437 0.000 2.158 1186 Q HA 0.140 3.297 4.340 -1.973 0.000 0.306 1186 Q C -0.880 175.270 176.000 0.250 0.000 0.878 1186 Q CA -0.411 55.552 55.803 0.268 0.000 1.136 1186 Q CB 0.806 29.675 28.738 0.219 0.000 1.253 1186 Q HN 0.545 nan 8.270 nan 0.000 0.441 1187 D N 1.114 121.884 120.400 0.616 0.000 2.344 1187 D HA 0.046 3.502 4.640 -1.973 0.000 0.253 1187 D C 0.799 177.370 176.300 0.452 0.000 1.255 1187 D CA 0.068 54.312 54.000 0.408 0.000 0.894 1187 D CB 0.921 41.902 40.800 0.301 0.000 1.067 1187 D HN 0.332 nan 8.370 nan 0.000 0.492 1188 L N 3.670 125.014 121.223 0.201 0.000 2.362 1188 L HA -0.080 3.076 4.340 -1.973 0.000 0.219 1188 L C 2.265 179.281 176.870 0.243 0.000 1.134 1188 L CA 0.581 55.539 54.840 0.198 0.000 0.807 1188 L CB -0.121 41.980 42.059 0.069 0.000 0.927 1188 L HN 0.278 nan 8.230 nan 0.000 0.447 1189 R N -0.367 120.201 120.500 0.113 0.000 2.237 1189 R HA -0.049 3.108 4.340 -1.973 0.000 0.219 1189 R C 0.008 176.033 176.300 -0.459 0.000 1.080 1189 R CA 0.853 56.834 56.100 -0.199 0.000 0.995 1189 R CB 0.020 30.044 30.300 -0.459 0.000 0.875 1189 R HN 0.172 nan 8.270 nan 0.000 0.462 1190 F N 1.257 121.353 119.950 0.243 0.000 2.542 1190 F HA 0.310 3.651 4.527 -1.976 0.000 0.323 1190 F C -2.145 173.775 175.800 0.199 0.000 1.411 1190 F CA -2.918 55.190 58.000 0.180 0.000 1.124 1190 F CB 0.863 39.896 39.000 0.055 0.000 1.331 1190 F HN -0.190 nan 8.300 nan 0.000 0.560 1191 P HA 0.160 nan 4.420 nan 0.000 0.272 1191 P C -0.309 176.817 177.300 -0.290 0.000 1.223 1191 P CA -0.207 62.618 63.100 -0.460 0.000 0.784 1191 P CB 1.157 32.654 31.700 -0.339 0.000 0.923 1192 R N 1.410 121.647 120.500 -0.438 0.000 2.540 1192 R HA 0.524 3.680 4.340 -1.973 0.000 0.287 1192 R C -0.096 176.009 176.300 -0.324 0.000 0.980 1192 R CA -0.938 54.993 56.100 -0.281 0.000 0.966 1192 R CB 0.880 31.039 30.300 -0.234 0.000 1.106 1192 R HN 0.425 nan 8.270 nan 0.000 0.480 1193 I N 2.479 122.845 120.570 -0.341 0.000 2.307 1193 I HA 0.288 3.274 4.170 -1.973 0.000 0.289 1193 I C 0.015 175.840 176.117 -0.487 0.000 1.021 1193 I CA -0.434 60.561 61.300 -0.509 0.000 1.224 1193 I CB 0.929 38.400 38.000 -0.881 0.000 1.376 1193 I HN 0.634 nan 8.210 nan 0.000 0.470 1194 A N 7.249 129.870 122.820 -0.332 0.000 2.288 1194 A HA 0.742 3.879 4.320 -1.973 0.000 0.320 1194 A C -0.872 176.589 177.584 -0.204 0.000 1.217 1194 A CA -0.409 51.561 52.037 -0.113 0.000 0.840 1194 A CB 0.358 19.423 19.000 0.108 0.000 1.179 1194 A HN 0.415 nan 8.150 nan 0.000 0.504 1195 F N 1.876 121.820 119.950 -0.010 0.000 2.411 1195 F HA 0.529 3.874 4.527 -1.970 0.000 0.355 1195 F C -0.229 175.477 175.800 -0.157 0.000 1.117 1195 F CA -0.069 57.902 58.000 -0.048 0.000 1.139 1195 F CB 0.715 39.643 39.000 -0.119 0.000 1.120 1195 F HN 0.439 nan 8.300 nan 0.000 0.493 1196 F N 0.907 120.990 119.950 0.221 0.000 2.492 1196 F HA 0.423 3.874 4.527 -1.793 0.000 0.327 1196 F C 0.397 176.268 175.800 0.119 0.000 1.079 1196 F CA -1.032 57.053 58.000 0.143 0.000 0.967 1196 F CB 1.714 40.757 39.000 0.071 0.000 1.169 1196 F HN 0.407 nan 8.300 nan 0.000 0.472 1197 S N -0.607 115.236 115.700 0.238 0.000 2.562 1197 S HA 0.124 3.410 4.470 -1.973 0.000 0.281 1197 S C 0.791 175.492 174.600 0.168 0.000 1.333 1197 S CA -0.020 58.275 58.200 0.159 0.000 1.052 1197 S CB 1.027 64.285 63.200 0.098 0.000 0.884 1197 S HN 0.828 nan 8.310 nan 0.000 0.506 1198 T N -0.829 113.806 114.554 0.134 0.000 3.060 1198 T HA 0.267 3.434 4.350 -1.973 0.000 0.249 1198 T C 0.467 175.219 174.700 0.087 0.000 1.079 1198 T CA -0.250 61.923 62.100 0.122 0.000 1.013 1198 T CB -0.495 68.443 68.868 0.118 0.000 0.975 1198 T HN 0.990 nan 8.240 nan 0.000 0.518 1199 R N -0.777 119.766 120.500 0.071 0.000 2.752 1199 R HA 0.592 3.748 4.340 -1.973 0.000 0.277 1199 R C -1.717 174.609 176.300 0.043 0.000 1.024 1199 R CA -1.212 54.919 56.100 0.051 0.000 0.866 1199 R CB 0.131 30.451 30.300 0.033 0.000 1.278 1199 R HN 0.053 nan 8.270 nan 0.000 0.473 1200 L N 1.684 122.927 121.223 0.033 0.000 2.513 1200 L HA 0.316 3.472 4.340 -1.973 0.000 0.272 1200 L C -0.769 176.108 176.870 0.013 0.000 1.187 1200 L CA 0.529 55.384 54.840 0.025 0.000 0.895 1200 L CB 0.188 42.259 42.059 0.021 0.000 1.147 1200 L HN 0.515 nan 8.230 nan 0.000 0.483 1201 I N 5.452 126.027 120.570 0.010 0.000 2.330 1201 I HA 0.265 3.251 4.170 -1.973 0.000 0.289 1201 I C 0.215 176.327 176.117 -0.008 0.000 1.001 1201 I CA -0.535 60.762 61.300 -0.004 0.000 1.193 1201 I CB 0.958 38.955 38.000 -0.004 0.000 1.345 1201 I HN 0.643 nan 8.210 nan 0.000 0.461 1202 E N 4.483 124.674 120.200 -0.014 0.000 2.366 1202 E HA 0.395 3.562 4.350 -1.973 0.000 0.266 1202 E C 0.065 176.650 176.600 -0.024 0.000 1.051 1202 E CA -0.669 55.721 56.400 -0.016 0.000 0.884 1202 E CB 1.097 30.787 29.700 -0.017 0.000 1.006 1202 E HN 0.706 nan 8.360 nan 0.000 0.417 1203 A N 1.839 124.645 122.820 -0.024 0.000 2.584 1203 A HA 0.289 3.425 4.320 -1.973 0.000 0.239 1203 A C 1.293 178.848 177.584 -0.048 0.000 1.043 1203 A CA 0.933 52.951 52.037 -0.032 0.000 0.756 1203 A CB -0.607 18.377 19.000 -0.027 0.000 0.963 1203 A HN 0.860 nan 8.150 nan 0.000 0.511 1204 G N 1.219 109.979 108.800 -0.068 0.000 2.258 1204 G HA2 -0.233 2.543 3.960 -1.973 0.000 0.233 1204 G HA3 -0.233 2.543 3.960 -1.973 0.000 0.233 1204 G C 0.266 175.096 174.900 -0.117 0.000 1.006 1204 G CA 0.449 45.486 45.100 -0.105 0.000 0.620 1204 G HN 1.097 nan 8.290 nan 0.000 0.511 1205 E N 1.144 121.302 120.200 -0.070 0.000 2.360 1205 E HA 0.405 3.572 4.350 -1.973 0.000 0.269 1205 E C 0.587 177.171 176.600 -0.027 0.000 1.022 1205 E CA -0.353 56.018 56.400 -0.049 0.000 0.887 1205 E CB 0.314 29.993 29.700 -0.035 0.000 0.990 1205 E HN 0.445 nan 8.360 nan 0.000 0.426 1206 Q N 4.081 123.893 119.800 0.019 0.000 2.337 1206 Q HA 0.111 3.267 4.340 -1.973 0.000 0.270 1206 Q C -0.646 175.394 176.000 0.067 0.000 1.002 1206 Q CA -0.324 55.550 55.803 0.120 0.000 0.888 1206 Q CB 0.613 29.486 28.738 0.225 0.000 1.222 1206 Q HN 0.547 nan 8.270 nan 0.000 0.400 1207 L N 2.840 124.115 121.223 0.087 0.000 2.397 1207 L HA 0.527 3.683 4.340 -1.973 0.000 0.271 1207 L C 0.570 177.475 176.870 0.059 0.000 1.148 1207 L CA -0.179 54.688 54.840 0.046 0.000 0.825 1207 L CB 0.809 42.891 42.059 0.037 0.000 1.117 1207 L HN 0.801 nan 8.230 nan 0.000 0.456 1208 G N 2.278 111.100 108.800 0.036 0.000 2.733 1208 G HA2 0.621 3.397 3.960 -1.973 0.000 0.297 1208 G HA3 0.621 3.397 3.960 -1.973 0.000 0.297 1208 G C -1.574 173.405 174.900 0.132 0.000 1.422 1208 G CA -0.440 44.691 45.100 0.051 0.000 0.942 1208 G HN 0.511 nan 8.290 nan 0.000 0.510 1209 F N -0.129 119.817 119.950 -0.007 0.000 2.650 1209 F HA 0.771 4.119 4.527 -1.963 0.000 0.320 1209 F C -1.025 174.823 175.800 0.080 0.000 1.091 1209 F CA -1.479 56.572 58.000 0.084 0.000 0.962 1209 F CB 2.042 41.157 39.000 0.192 0.000 1.363 1209 F HN 0.351 nan 8.300 nan 0.000 0.482 1210 D N 1.569 122.077 120.400 0.180 0.000 2.352 1210 D HA 0.102 3.558 4.640 -1.973 0.000 0.245 1210 D C 0.577 177.047 176.300 0.283 0.000 1.224 1210 D CA 0.041 54.131 54.000 0.149 0.000 0.879 1210 D CB 0.240 41.199 40.800 0.265 0.000 1.057 1210 D HN 0.521 nan 8.370 nan 0.000 0.491 1211 Y N 2.954 123.266 120.300 0.019 0.000 2.333 1211 Y HA 0.044 3.409 4.550 -1.975 0.000 0.290 1211 Y C 1.918 177.784 175.900 -0.056 0.000 1.144 1211 Y CA 0.835 58.750 58.100 -0.308 0.000 1.228 1211 Y CB -0.736 37.256 38.460 -0.779 0.000 0.985 1211 Y HN 0.647 nan 8.280 nan 0.000 0.542 1212 G N -0.151 108.840 108.800 0.319 0.000 2.712 1212 G HA2 -0.197 2.579 3.960 -1.973 0.000 0.683 1212 G HA3 -0.197 2.579 3.960 -1.973 0.000 0.683 1212 G C 0.411 175.473 174.900 0.270 0.000 1.320 1212 G CA -0.180 45.080 45.100 0.266 0.000 0.847 1212 G HN 0.085 nan 8.290 nan 0.000 0.553 1213 E N -0.001 120.331 120.200 0.221 0.000 2.208 1213 E HA -0.051 3.115 4.350 -1.973 0.000 0.193 1213 E C 2.624 179.294 176.600 0.115 0.000 0.988 1213 E CA 0.940 57.462 56.400 0.203 0.000 0.828 1213 E CB -0.098 29.701 29.700 0.165 0.000 0.763 1213 E HN 0.442 nan 8.360 nan 0.000 0.478 1214 R N -0.316 120.226 120.500 0.071 0.000 2.285 1214 R HA -0.002 3.155 4.340 -1.973 0.000 0.213 1214 R C 1.757 178.038 176.300 -0.032 0.000 1.068 1214 R CA 0.376 56.481 56.100 0.008 0.000 1.004 1214 R CB -0.442 29.852 30.300 -0.009 0.000 0.873 1214 R HN 0.182 nan 8.270 nan 0.000 0.467 1215 F N -1.910 117.927 119.950 -0.188 0.000 2.222 1215 F HA 0.013 3.358 4.527 -1.970 0.000 0.285 1215 F C 1.233 176.766 175.800 -0.445 0.000 1.068 1215 F CA 0.813 58.598 58.000 -0.357 0.000 1.265 1215 F CB -0.144 38.585 39.000 -0.452 0.000 1.087 1215 F HN -0.051 nan 8.300 nan 0.000 0.511 1216 W N 1.119 122.368 121.300 -0.086 0.000 2.467 1216 W HA -0.097 3.378 4.660 -1.975 0.000 0.275 1216 W C 1.813 178.185 176.519 -0.245 0.000 1.239 1216 W CA 0.716 57.891 57.345 -0.284 0.000 1.266 1216 W CB -0.321 28.770 29.460 -0.614 0.000 1.112 1216 W HN -0.018 nan 8.180 nan 0.000 0.576 1217 D N -0.177 120.231 120.400 0.013 0.000 2.310 1217 D HA -0.126 3.330 4.640 -1.973 0.000 0.212 1217 D C 1.992 178.224 176.300 -0.114 0.000 0.965 1217 D CA 1.098 55.086 54.000 -0.020 0.000 0.879 1217 D CB -0.005 40.795 40.800 -0.001 0.000 0.921 1217 D HN 0.129 nan 8.370 nan 0.000 0.510 1218 I N 0.179 120.609 120.570 -0.233 0.000 2.681 1218 I HA -0.050 2.936 4.170 -1.973 0.000 0.247 1218 I C 1.989 177.865 176.117 -0.402 0.000 1.091 1218 I CA 0.547 61.670 61.300 -0.295 0.000 1.442 1218 I CB -0.408 37.387 38.000 -0.342 0.000 1.219 1218 I HN -0.134 nan 8.210 nan 0.000 0.451 1219 K N 1.237 121.236 120.400 -0.668 0.000 2.228 1219 K HA 0.054 3.190 4.320 -1.973 0.000 0.202 1219 K C 1.958 178.090 176.600 -0.780 0.000 1.051 1219 K CA 0.924 56.670 56.287 -0.902 0.000 0.960 1219 K CB -0.597 31.020 32.500 -1.472 0.000 0.743 1219 K HN 0.353 nan 8.250 nan 0.000 0.458 1220 G N 1.706 110.308 108.800 -0.329 0.000 2.501 1220 G HA2 -0.241 2.535 3.960 -1.973 0.000 0.220 1220 G HA3 -0.241 2.535 3.960 -1.973 0.000 0.220 1220 G C 1.388 176.211 174.900 -0.128 0.000 1.114 1220 G CA 0.510 45.576 45.100 -0.058 0.000 0.757 1220 G HN 0.321 nan 8.290 nan 0.000 0.559 1221 K N -0.611 119.681 120.400 -0.181 0.000 2.400 1221 K HA 0.312 3.448 4.320 -1.973 0.000 0.194 1221 K C 1.854 178.389 176.600 -0.107 0.000 1.033 1221 K CA 0.027 56.244 56.287 -0.116 0.000 1.021 1221 K CB 0.170 32.608 32.500 -0.103 0.000 0.808 1221 K HN 0.297 nan 8.250 nan 0.000 0.505 1222 L N -0.451 120.659 121.223 -0.188 0.000 2.467 1222 L HA 0.248 3.404 4.340 -1.973 0.000 0.213 1222 L C 0.187 177.122 176.870 0.108 0.000 1.053 1222 L CA -0.059 54.749 54.840 -0.053 0.000 0.847 1222 L CB 0.306 42.352 42.059 -0.021 0.000 1.075 1222 L HN 0.024 nan 8.230 nan 0.000 0.479 1223 F N -2.351 117.631 119.950 0.054 0.000 2.713 1223 F HA 0.607 3.950 4.527 -1.974 0.000 0.311 1223 F C -0.438 175.479 175.800 0.195 0.000 1.141 1223 F CA -1.384 56.675 58.000 0.097 0.000 0.939 1223 F CB 0.686 39.737 39.000 0.085 0.000 1.325 1223 F HN -0.174 nan 8.300 nan 0.000 0.453 1224 S N 0.150 116.071 115.700 0.369 0.000 2.690 1224 S HA 0.549 3.836 4.470 -1.973 0.000 0.291 1224 S C -0.494 174.295 174.600 0.314 0.000 1.138 1224 S CA -0.808 57.531 58.200 0.230 0.000 1.013 1224 S CB 1.486 64.737 63.200 0.085 0.000 1.053 1224 S HN 1.166 nan 8.310 nan 0.000 0.539 1225 C N 1.299 120.583 119.300 -0.026 0.000 2.648 1225 C HA 0.414 3.690 4.460 -1.973 0.000 0.419 1225 C C 1.258 176.259 174.990 0.019 0.000 1.352 1225 C CA -0.318 58.662 59.018 -0.063 0.000 1.816 1225 C CB -0.858 26.601 27.740 -0.469 0.000 2.598 1225 C HN 0.994 nan 8.230 nan 0.000 0.598 1226 R N 3.604 124.149 120.500 0.075 0.000 2.586 1226 R HA 0.107 3.263 4.340 -1.973 0.000 0.336 1226 R C 1.677 177.961 176.300 -0.028 0.000 1.060 1226 R CA 0.253 56.366 56.100 0.022 0.000 1.079 1226 R CB -0.278 30.046 30.300 0.039 0.000 1.317 1226 R HN 0.992 nan 8.270 nan 0.000 0.568 1227 C N -1.440 117.806 119.300 -0.091 0.000 2.419 1227 C HA 0.120 3.396 4.460 -1.973 0.000 0.281 1227 C C 1.766 176.626 174.990 -0.216 0.000 1.336 1227 C CA 0.682 59.560 59.018 -0.234 0.000 1.770 1227 C CB -0.726 26.684 27.740 -0.549 0.000 1.929 1227 C HN 0.668 nan 8.230 nan 0.000 0.509 1228 G N 0.272 108.982 108.800 -0.151 0.000 2.176 1228 G HA2 -0.234 2.542 3.960 -1.973 0.000 0.253 1228 G HA3 -0.234 2.542 3.960 -1.973 0.000 0.253 1228 G C 0.296 175.153 174.900 -0.073 0.000 0.979 1228 G CA 0.635 45.688 45.100 -0.079 0.000 0.641 1228 G HN 1.177 nan 8.290 nan 0.000 0.530 1229 S N 1.332 116.945 115.700 -0.145 0.000 2.549 1229 S HA 0.439 3.725 4.470 -1.973 0.000 0.286 1229 S C 0.272 174.840 174.600 -0.054 0.000 1.314 1229 S CA -0.207 57.953 58.200 -0.066 0.000 1.062 1229 S CB 1.078 64.224 63.200 -0.091 0.000 0.865 1229 S HN 0.186 nan 8.310 nan 0.000 0.498 1230 P HA -0.066 nan 4.420 nan 0.000 0.221 1230 P C 0.200 177.475 177.300 -0.041 0.000 1.145 1230 P CA 1.197 64.280 63.100 -0.028 0.000 0.795 1230 P CB 0.055 31.747 31.700 -0.013 0.000 0.775 1231 K N -1.011 119.366 120.400 -0.039 0.000 2.469 1231 K HA 0.102 3.238 4.320 -1.973 0.000 0.201 1231 K C 0.407 176.954 176.600 -0.089 0.000 1.028 1231 K CA -0.415 55.842 56.287 -0.051 0.000 1.170 1231 K CB -0.459 32.026 32.500 -0.025 0.000 0.874 1231 K HN 0.091 nan 8.250 nan 0.000 0.507 1232 C N 1.632 120.864 119.300 -0.113 0.000 2.538 1232 C HA 0.013 3.289 4.460 -1.973 0.000 0.408 1232 C C 1.424 176.288 174.990 -0.210 0.000 1.421 1232 C CA 0.225 59.145 59.018 -0.164 0.000 1.642 1232 C CB -0.461 27.180 27.740 -0.164 0.000 2.553 1232 C HN 0.543 nan 8.230 nan 0.000 0.604 1233 R N 2.183 122.492 120.500 -0.318 0.000 2.397 1233 R HA 0.162 3.318 4.340 -1.973 0.000 0.241 1233 R C 0.539 176.383 176.300 -0.760 0.000 0.914 1233 R CA 0.202 56.002 56.100 -0.498 0.000 1.071 1233 R CB 0.062 30.027 30.300 -0.557 0.000 1.116 1233 R HN 0.783 nan 8.270 nan 0.000 0.524 1234 H N -0.808 118.023 119.070 -0.398 0.000 2.750 1234 H HA 0.174 3.545 4.556 -1.974 0.000 0.252 1234 H C 0.260 175.322 175.328 -0.444 0.000 1.176 1234 H CA -0.161 55.540 56.048 -0.578 0.000 0.987 1234 H CB 0.671 29.638 29.762 -1.324 0.000 1.810 1234 H HN 0.077 nan 8.280 nan 0.000 0.630 1235 S N 0.000 115.575 115.700 -0.208 0.000 2.498 1235 S HA 0.000 3.286 4.470 -1.973 0.000 0.327 1235 S CA 0.000 58.123 58.200 -0.128 0.000 1.107 1235 S CB 0.000 63.135 63.200 -0.109 0.000 0.593 1235 S HN 0.000 nan 8.310 nan 0.000 0.517