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 2b42_1_A DATA FIRST_RESID 1 DATA SEQUENCE LPVLAPVTKD PATSLYTIPF HDGASLVLDV AGPLVWSTcK GXXXXXEIPC DATA SEQUENCE SSPTcLLANA YPAPGcPAXX XXXXXXXKPc TAYPYNPVSG AcAAGSLSHT DATA SEQUENCE RFVANTTDGS KPVSKVNVGV LAAcAPSKLL ASLPRGSTGV AGLANSGLAL DATA SEQUENCE PAQVASAQKV ANRFLLcLPT GGPGVAIFGG GPVPWPQFTQ SMPYTPLVTK DATA SEQUENCE GGSPAHYISA RSIVVGDTRV PVPEGALATG GVMLSTRLPY VLLRPDVYRP DATA SEQUENCE LMDAFTKALA AQXXXGAPVA RAVVAVAPFG VcYDTKTLGN NLGGYAVPNV DATA SEQUENCE QLGLDGGSDW TMTGKNSMVD VKQGTAcVAF VEMKGVAAGD GRAPAVILGG DATA SEQUENCE AQMEDFVLDF DMEKKRLGFS RLPHFTGcGG L 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 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.905 176.870 0.059 0.000 1.165 1 L CA 0.000 54.862 54.840 0.037 0.000 0.813 1 L CB 0.000 42.073 42.059 0.024 0.000 0.961 2 P HA 0.201 nan 4.420 nan 0.000 0.270 2 P C -1.273 176.096 177.300 0.115 0.000 1.223 2 P CA -0.267 62.898 63.100 0.107 0.000 0.785 2 P CB 0.575 32.327 31.700 0.086 0.000 0.923 3 V N 2.547 122.578 119.914 0.195 0.000 2.459 3 V HA 0.374 4.495 4.120 0.001 0.000 0.295 3 V C -0.110 176.144 176.094 0.267 0.000 1.029 3 V CA -0.616 61.800 62.300 0.195 0.000 0.874 3 V CB 1.345 33.297 31.823 0.215 0.000 0.985 3 V HN 0.353 nan 8.190 nan 0.000 0.438 4 L N 4.894 126.214 121.223 0.161 0.000 2.313 4 L HA 0.971 5.311 4.340 0.001 0.000 0.283 4 L C -0.093 176.888 176.870 0.185 0.000 1.013 4 L CA -0.139 54.798 54.840 0.163 0.000 0.816 4 L CB 1.298 43.415 42.059 0.096 0.000 1.236 4 L HN 0.764 nan 8.230 nan 0.000 0.419 5 A N 6.153 129.132 122.820 0.266 0.000 2.386 5 A HA 0.965 5.285 4.320 0.001 0.000 0.311 5 A C -2.871 174.834 177.584 0.202 0.000 1.068 5 A CA -1.510 50.685 52.037 0.264 0.000 0.743 5 A CB 1.340 20.610 19.000 0.450 0.000 1.258 5 A HN 0.587 nan 8.150 nan 0.000 0.429 6 P HA 0.423 nan 4.420 nan 0.000 0.277 6 P C -0.824 176.559 177.300 0.139 0.000 1.240 6 P CA -0.236 62.946 63.100 0.136 0.000 0.798 6 P CB 1.352 33.117 31.700 0.109 0.000 0.979 7 V N 2.685 122.675 119.914 0.126 0.000 2.378 7 V HA 0.293 4.414 4.120 0.001 0.000 0.288 7 V C 0.211 176.386 176.094 0.134 0.000 1.016 7 V CA -0.219 62.162 62.300 0.136 0.000 0.840 7 V CB 1.524 33.427 31.823 0.133 0.000 0.994 7 V HN 0.522 nan 8.190 nan 0.000 0.431 8 T N 5.154 119.781 114.554 0.122 0.000 2.767 8 T HA 0.292 4.642 4.350 0.001 0.000 0.284 8 T C -0.066 174.678 174.700 0.074 0.000 0.973 8 T CA -0.465 61.687 62.100 0.086 0.000 0.996 8 T CB 1.002 69.900 68.868 0.051 0.000 0.927 8 T HN 0.561 nan 8.240 nan 0.000 0.456 9 K N 3.099 123.531 120.400 0.052 0.000 2.349 9 K HA 0.078 4.398 4.320 0.001 0.000 0.289 9 K C -0.344 176.184 176.600 -0.120 0.000 1.064 9 K CA -0.455 55.757 56.287 -0.124 0.000 0.947 9 K CB 0.432 32.882 32.500 -0.084 0.000 1.007 9 K HN 0.546 nan 8.250 nan 0.000 0.478 10 D N 5.990 126.290 120.400 -0.167 0.000 2.371 10 D HA 0.058 4.698 4.640 0.001 0.000 0.256 10 D C -1.745 174.497 176.300 -0.097 0.000 1.193 10 D CA -1.858 52.078 54.000 -0.107 0.000 0.881 10 D CB 1.369 42.105 40.800 -0.107 0.000 1.143 10 D HN 0.304 nan 8.370 nan 0.000 0.473 11 P HA -0.133 nan 4.420 nan 0.000 0.215 11 P C 0.794 178.073 177.300 -0.034 0.000 1.153 11 P CA 1.384 64.461 63.100 -0.040 0.000 0.853 11 P CB 0.139 31.826 31.700 -0.021 0.000 0.788 12 A N -0.488 122.314 122.820 -0.031 0.000 1.872 12 A HA -0.128 4.193 4.320 0.001 0.000 0.214 12 A C 2.235 179.805 177.584 -0.023 0.000 1.187 12 A CA 2.479 54.504 52.037 -0.019 0.000 0.614 12 A CB -1.808 17.183 19.000 -0.015 0.000 0.826 12 A HN 0.348 nan 8.150 nan 0.000 0.442 13 T N -5.008 109.519 114.554 -0.046 0.000 3.051 13 T HA 0.164 4.514 4.350 0.001 0.000 0.255 13 T C 0.934 175.588 174.700 -0.077 0.000 1.085 13 T CA 1.151 63.220 62.100 -0.052 0.000 1.109 13 T CB -0.079 68.750 68.868 -0.065 0.000 0.921 13 T HN 0.712 nan 8.240 nan 0.000 0.488 14 S N 0.217 115.844 115.700 -0.122 0.000 2.929 14 S HA -0.125 4.346 4.470 0.001 0.000 0.271 14 S C 0.217 174.570 174.600 -0.411 0.000 1.295 14 S CA 0.605 58.683 58.200 -0.204 0.000 1.277 14 S CB -2.191 60.957 63.200 -0.087 0.000 1.557 14 S HN 0.675 nan 8.310 nan 0.000 0.666 15 L N 0.515 121.538 121.223 -0.334 0.000 2.456 15 L HA 0.498 4.839 4.340 0.001 0.000 0.257 15 L C 0.235 176.797 176.870 -0.514 0.000 1.162 15 L CA -0.496 54.141 54.840 -0.339 0.000 0.808 15 L CB 0.269 42.239 42.059 -0.148 0.000 1.136 15 L HN 0.151 nan 8.230 nan 0.000 0.466 16 Y N -0.513 119.770 120.300 -0.029 0.000 2.360 16 Y HA 0.496 5.046 4.550 0.001 0.000 0.337 16 Y C 0.539 176.417 175.900 -0.036 0.000 1.039 16 Y CA -0.795 57.294 58.100 -0.017 0.000 1.109 16 Y CB 1.890 40.349 38.460 -0.002 0.000 1.201 16 Y HN 0.527 nan 8.280 nan 0.000 0.458 17 T N 1.437 116.046 114.554 0.091 0.000 2.916 17 T HA 0.866 5.217 4.350 0.001 0.000 0.292 17 T C -0.752 173.992 174.700 0.073 0.000 1.055 17 T CA -0.873 61.248 62.100 0.036 0.000 1.009 17 T CB 1.535 70.398 68.868 -0.007 0.000 1.118 17 T HN 0.618 nan 8.240 nan 0.000 0.497 18 I N -1.742 118.862 120.570 0.056 0.000 2.785 18 I HA 0.724 4.894 4.170 0.001 0.000 0.302 18 I C -3.148 173.051 176.117 0.137 0.000 1.069 18 I CA -3.419 57.956 61.300 0.125 0.000 1.045 18 I CB 2.140 40.251 38.000 0.185 0.000 1.236 18 I HN 0.317 nan 8.210 nan 0.000 0.429 19 P HA 0.094 nan 4.420 nan 0.000 0.271 19 P C -0.698 176.807 177.300 0.341 0.000 1.216 19 P CA 0.031 63.251 63.100 0.201 0.000 0.771 19 P CB 0.538 32.333 31.700 0.159 0.000 0.864 20 F N 3.101 123.091 119.950 0.066 0.000 2.515 20 F HA 0.233 4.760 4.527 0.001 0.000 0.267 20 F C 0.487 176.330 175.800 0.071 0.000 0.923 20 F CA 0.951 58.975 58.000 0.040 0.000 1.107 20 F CB -0.018 38.850 39.000 -0.220 0.000 1.175 20 F HN 0.463 nan 8.300 nan 0.000 0.742 21 H N -1.644 117.308 119.070 -0.196 0.000 3.064 21 H HA 0.234 4.791 4.556 0.001 0.000 0.352 21 H C -1.143 174.108 175.328 -0.128 0.000 1.260 21 H CA -0.580 55.324 56.048 -0.240 0.000 1.160 21 H CB 1.176 30.670 29.762 -0.446 0.000 1.879 21 H HN 0.151 nan 8.280 nan 0.000 0.544 22 D N 1.535 122.004 120.400 0.115 0.000 2.737 22 D HA -0.158 4.482 4.640 0.001 0.000 0.238 22 D C 1.309 177.654 176.300 0.076 0.000 1.157 22 D CA 1.967 56.013 54.000 0.076 0.000 0.694 22 D CB -1.405 39.430 40.800 0.059 0.000 1.021 22 D HN 1.172 nan 8.370 nan 0.000 0.420 23 G N -1.062 107.776 108.800 0.063 0.000 2.196 23 G HA2 -0.179 3.782 3.960 0.001 0.000 0.268 23 G HA3 -0.179 3.782 3.960 0.001 0.000 0.268 23 G C 0.418 175.356 174.900 0.064 0.000 0.975 23 G CA 0.910 46.043 45.100 0.056 0.000 0.648 23 G HN 1.154 nan 8.290 nan 0.000 0.538 24 A N -0.201 122.666 122.820 0.078 0.000 2.312 24 A HA 0.900 5.221 4.320 0.001 0.000 0.326 24 A C 0.438 178.084 177.584 0.103 0.000 1.172 24 A CA 0.722 52.808 52.037 0.083 0.000 0.821 24 A CB 1.296 20.353 19.000 0.094 0.000 1.166 24 A HN 1.844 nan 8.150 nan 0.000 0.493 25 S N 1.460 117.203 115.700 0.071 0.000 2.648 25 S HA 0.861 5.331 4.470 0.001 0.000 0.305 25 S C -0.692 173.875 174.600 -0.055 0.000 1.094 25 S CA -0.697 57.531 58.200 0.047 0.000 0.983 25 S CB 1.016 64.231 63.200 0.025 0.000 1.101 25 S HN 0.618 nan 8.310 nan 0.000 0.514 26 L N 1.376 122.516 121.223 -0.139 0.000 2.362 26 L HA 0.562 4.902 4.340 0.001 0.000 0.271 26 L C -0.716 176.011 176.870 -0.238 0.000 1.002 26 L CA -1.333 53.321 54.840 -0.311 0.000 0.818 26 L CB 2.089 43.826 42.059 -0.536 0.000 1.298 26 L HN 0.502 nan 8.230 nan 0.000 0.420 27 V N 3.539 123.286 119.914 -0.278 0.000 2.572 27 V HA 0.099 4.220 4.120 0.001 0.000 0.291 27 V C 0.431 176.408 176.094 -0.195 0.000 1.039 27 V CA -0.255 61.929 62.300 -0.194 0.000 1.055 27 V CB 1.031 32.735 31.823 -0.198 0.000 0.969 27 V HN 0.442 nan 8.190 nan 0.000 0.482 28 L N 4.767 125.938 121.223 -0.088 0.000 2.361 28 L HA 0.315 4.655 4.340 0.001 0.000 0.278 28 L C -0.011 176.813 176.870 -0.076 0.000 1.113 28 L CA 0.092 54.881 54.840 -0.086 0.000 0.849 28 L CB 0.360 42.412 42.059 -0.012 0.000 1.155 28 L HN 0.616 nan 8.230 nan 0.000 0.452 29 D N 2.611 122.939 120.400 -0.121 0.000 2.446 29 D HA 0.171 4.812 4.640 0.001 0.000 0.251 29 D C 0.731 176.984 176.300 -0.079 0.000 1.137 29 D CA -0.529 53.422 54.000 -0.083 0.000 0.890 29 D CB 1.719 42.469 40.800 -0.083 0.000 1.071 29 D HN 0.273 nan 8.370 nan 0.000 0.528 30 V N 1.923 121.807 119.914 -0.050 0.000 3.078 30 V HA 0.130 4.250 4.120 0.001 0.000 0.265 30 V C 1.393 177.495 176.094 0.014 0.000 1.122 30 V CA 1.483 63.778 62.300 -0.009 0.000 1.141 30 V CB -0.532 31.292 31.823 0.002 0.000 0.735 30 V HN 0.446 nan 8.190 nan 0.000 0.498 31 A N 0.315 123.109 122.820 -0.045 0.000 2.390 31 A HA 0.645 4.966 4.320 0.001 0.000 0.232 31 A C 1.280 178.816 177.584 -0.080 0.000 1.233 31 A CA 0.436 52.414 52.037 -0.099 0.000 0.907 31 A CB -0.408 18.540 19.000 -0.088 0.000 0.967 31 A HN 0.720 nan 8.150 nan 0.000 0.512 32 G N 0.699 109.471 108.800 -0.047 0.000 2.325 32 G HA2 0.489 4.450 3.960 0.001 0.000 0.298 32 G HA3 0.489 4.450 3.960 0.001 0.000 0.298 32 G C -1.510 173.375 174.900 -0.025 0.000 1.134 32 G CA -1.147 43.955 45.100 0.004 0.000 0.876 32 G HN 0.067 nan 8.290 nan 0.000 0.452 33 P HA 0.104 nan 4.420 nan 0.000 0.245 33 P C 0.118 177.456 177.300 0.064 0.000 1.206 33 P CA 0.304 63.428 63.100 0.041 0.000 0.781 33 P CB 0.593 32.375 31.700 0.137 0.000 0.994 34 L N -0.727 120.543 121.223 0.078 0.000 2.370 34 L HA 0.438 4.779 4.340 0.001 0.000 0.266 34 L C -0.298 176.570 176.870 -0.003 0.000 1.002 34 L CA -1.360 53.532 54.840 0.087 0.000 0.818 34 L CB 2.890 45.073 42.059 0.206 0.000 1.325 34 L HN -0.440 nan 8.230 nan 0.000 0.418 35 V N 2.060 121.938 119.914 -0.060 0.000 2.383 35 V HA 0.379 4.500 4.120 0.001 0.000 0.275 35 V C -0.587 175.488 176.094 -0.032 0.000 1.036 35 V CA -0.283 61.901 62.300 -0.193 0.000 0.889 35 V CB 0.723 32.395 31.823 -0.251 0.000 0.985 35 V HN 0.744 nan 8.190 nan 0.000 0.459 36 W N 3.931 125.112 121.300 -0.197 0.000 3.083 36 W HA 0.860 5.521 4.660 0.001 0.000 0.333 36 W C -0.868 175.556 176.519 -0.158 0.000 1.217 36 W CA -0.792 56.472 57.345 -0.136 0.000 1.170 36 W CB 1.766 31.177 29.460 -0.080 0.000 1.437 36 W HN 0.616 nan 8.180 nan 0.000 0.557 37 S N 0.696 116.652 115.700 0.427 0.000 2.595 37 S HA 0.449 4.920 4.470 0.001 0.000 0.270 37 S C -0.673 174.124 174.600 0.329 0.000 1.145 37 S CA -0.224 58.146 58.200 0.284 0.000 0.825 37 S CB 0.941 64.219 63.200 0.130 0.000 1.107 37 S HN 0.798 nan 8.310 nan 0.000 0.461 38 T N 0.615 115.327 114.554 0.263 0.000 2.899 38 T HA 0.610 4.960 4.350 0.001 0.000 0.295 38 T C 0.234 175.038 174.700 0.174 0.000 1.033 38 T CA -0.413 61.800 62.100 0.188 0.000 1.084 38 T CB -0.041 68.917 68.868 0.151 0.000 0.979 38 T HN 0.714 nan 8.240 nan 0.000 0.532 39 c N 2.470 121.145 118.600 0.126 0.000 2.529 39 c HA 0.530 5.100 4.570 0.001 0.000 0.329 39 c C 0.622 174.760 174.090 0.081 0.000 1.194 39 c CA -1.057 55.341 56.329 0.114 0.000 1.779 39 c CB 1.358 43.921 42.510 0.089 0.000 2.322 39 c HN 0.938 nan 8.230 nan 0.000 0.500 40 K N 1.755 122.197 120.400 0.071 0.000 2.427 40 K HA -0.078 4.243 4.320 0.001 0.000 0.262 40 K C 0.868 177.488 176.600 0.034 0.000 1.094 40 K CA 0.571 56.882 56.287 0.041 0.000 1.184 40 K CB -0.134 32.380 32.500 0.022 0.000 0.796 40 K HN 1.024 nan 8.250 nan 0.000 0.491 48 I N 2.857 123.428 120.570 0.001 0.000 2.474 48 I HA 0.236 4.407 4.170 0.001 0.000 0.287 48 I C -1.907 174.209 176.117 -0.001 0.000 1.048 48 I CA -1.942 59.360 61.300 0.004 0.000 1.383 48 I CB 0.698 38.689 38.000 -0.015 0.000 1.412 48 I HN 0.100 nan 8.210 nan 0.000 0.531 49 P HA 0.034 nan 4.420 nan 0.000 0.275 49 P C 0.539 177.838 177.300 -0.002 0.000 1.228 49 P CA -0.489 62.612 63.100 0.002 0.000 0.786 49 P CB 0.723 32.427 31.700 0.006 0.000 0.927 50 C N 0.157 119.455 119.300 -0.003 0.000 2.500 50 C HA -0.003 4.458 4.460 0.001 0.000 0.273 50 C C 2.165 177.154 174.990 -0.001 0.000 1.428 50 C CA 0.729 59.745 59.018 -0.003 0.000 1.766 50 C CB -2.010 25.730 27.740 -0.000 0.000 1.817 50 C HN 0.604 nan 8.230 nan 0.000 0.543 51 S N 1.544 117.244 115.700 -0.000 0.000 2.593 51 S HA 0.110 4.581 4.470 0.001 0.000 0.217 51 S C 0.729 175.329 174.600 -0.000 0.000 0.966 51 S CA 0.464 58.663 58.200 -0.001 0.000 0.914 51 S CB -0.744 62.456 63.200 -0.000 0.000 0.776 51 S HN 0.878 nan 8.310 nan 0.000 0.523 52 S N 1.655 117.357 115.700 0.002 0.000 2.603 52 S HA 0.394 4.864 4.470 0.001 0.000 0.268 52 S C -1.850 172.752 174.600 0.004 0.000 1.317 52 S CA -1.024 57.179 58.200 0.005 0.000 1.012 52 S CB 0.603 63.809 63.200 0.010 0.000 0.926 52 S HN 0.040 nan 8.310 nan 0.000 0.539 53 P HA -0.051 nan 4.420 nan 0.000 0.218 53 P C 1.424 178.729 177.300 0.008 0.000 1.148 53 P CA 1.256 64.360 63.100 0.006 0.000 0.822 53 P CB -0.238 31.469 31.700 0.012 0.000 0.784 54 T N -1.482 113.080 114.554 0.013 0.000 2.708 54 T HA -0.189 4.162 4.350 0.001 0.000 0.266 54 T C 1.905 176.607 174.700 0.002 0.000 1.037 54 T CA 1.361 63.469 62.100 0.013 0.000 1.146 54 T CB -1.241 67.637 68.868 0.018 0.000 0.865 54 T HN 0.174 nan 8.240 nan 0.000 0.435 55 c N 0.817 119.416 118.600 -0.002 0.000 2.440 55 c HA 0.094 4.664 4.570 0.001 0.000 0.278 55 c C 2.643 176.728 174.090 -0.008 0.000 1.295 55 c CA 0.338 56.662 56.329 -0.007 0.000 1.738 55 c CB -1.500 41.005 42.510 -0.008 0.000 1.987 55 c HN 0.523 nan 8.230 nan 0.000 0.492 56 L N 0.052 121.268 121.223 -0.012 0.000 2.046 56 L HA -0.150 4.191 4.340 0.001 0.000 0.208 56 L C 2.593 179.439 176.870 -0.041 0.000 1.077 56 L CA 1.397 56.220 54.840 -0.028 0.000 0.747 56 L CB -0.610 41.431 42.059 -0.030 0.000 0.896 56 L HN 0.389 nan 8.230 nan 0.000 0.432 57 L N -0.451 120.759 121.223 -0.022 0.000 2.079 57 L HA -0.238 4.103 4.340 0.001 0.000 0.210 57 L C 2.799 179.671 176.870 0.003 0.000 1.081 57 L CA 1.252 56.084 54.840 -0.012 0.000 0.752 57 L CB -0.645 41.424 42.059 0.017 0.000 0.896 57 L HN 0.280 nan 8.230 nan 0.000 0.433 58 A N -0.024 122.800 122.820 0.007 0.000 1.969 58 A HA -0.155 4.166 4.320 0.001 0.000 0.218 58 A C 1.493 179.098 177.584 0.035 0.000 1.169 58 A CA 1.684 53.735 52.037 0.023 0.000 0.635 58 A CB -0.441 18.563 19.000 0.006 0.000 0.810 58 A HN 0.501 nan 8.150 nan 0.000 0.445 59 N N -0.701 118.006 118.700 0.012 0.000 2.275 59 N HA 0.412 5.153 4.740 0.001 0.000 0.236 59 N C 0.993 176.460 175.510 -0.071 0.000 1.154 59 N CA 0.510 53.571 53.050 0.018 0.000 0.866 59 N CB 0.556 39.072 38.487 0.047 0.000 1.093 59 N HN 0.373 nan 8.380 nan 0.000 0.515 60 A N -0.109 122.615 122.820 -0.160 0.000 2.015 60 A HA -0.061 4.259 4.320 0.001 0.000 0.219 60 A C -0.112 177.060 177.584 -0.687 0.000 1.163 60 A CA 1.059 52.833 52.037 -0.438 0.000 0.646 60 A CB -0.247 18.410 19.000 -0.571 0.000 0.806 60 A HN 0.364 nan 8.150 nan 0.000 0.448 61 Y N -0.159 120.138 120.300 -0.004 0.000 2.594 61 Y HA 0.384 4.935 4.550 0.001 0.000 0.338 61 Y C -2.442 173.435 175.900 -0.039 0.000 1.019 61 Y CA -2.484 55.602 58.100 -0.022 0.000 1.306 61 Y CB 0.605 39.054 38.460 -0.018 0.000 1.094 61 Y HN 0.068 nan 8.280 nan 0.000 0.534 62 P HA 0.054 nan 4.420 nan 0.000 0.266 62 P C -0.395 176.860 177.300 -0.074 0.000 1.193 62 P CA 0.036 63.119 63.100 -0.029 0.000 0.770 62 P CB 0.789 32.447 31.700 -0.070 0.000 0.836 63 A N 4.918 127.663 122.820 -0.124 0.000 2.331 63 A HA 0.405 4.726 4.320 0.001 0.000 0.283 63 A C -1.303 176.111 177.584 -0.284 0.000 1.142 63 A CA -1.217 50.653 52.037 -0.277 0.000 0.812 63 A CB -0.204 18.701 19.000 -0.158 0.000 1.074 63 A HN 0.404 nan 8.150 nan 0.000 0.497 64 P HA -0.176 nan 4.420 nan 0.000 0.218 64 P C 1.238 178.463 177.300 -0.124 0.000 1.154 64 P CA 2.149 65.118 63.100 -0.218 0.000 0.872 64 P CB 0.233 31.807 31.700 -0.210 0.000 0.790 65 G N -2.921 105.827 108.800 -0.086 0.000 3.371 65 G HA2 0.183 4.143 3.960 0.001 0.000 0.248 65 G HA3 0.183 4.143 3.960 0.001 0.000 0.248 65 G C -0.312 174.536 174.900 -0.086 0.000 1.161 65 G CA 0.012 45.081 45.100 -0.052 0.000 0.796 65 G HN 0.274 nan 8.290 nan 0.000 0.539 66 c N 0.379 118.889 118.600 -0.151 0.000 2.547 66 c HA 0.588 5.158 4.570 0.001 0.000 0.313 66 c C -0.987 172.893 174.090 -0.349 0.000 1.191 66 c CA -1.017 55.150 56.329 -0.270 0.000 1.474 66 c CB 2.542 44.853 42.510 -0.331 0.000 2.081 66 c HN 0.345 nan 8.230 nan 0.000 0.476 67 P HA 0.487 nan 4.420 nan 0.000 0.196 67 P C -0.185 176.897 177.300 -0.363 0.000 1.166 67 P CA 0.862 63.783 63.100 -0.298 0.000 0.854 67 P CB 0.385 31.964 31.700 -0.202 0.000 0.701 79 P HA 0.075 nan 4.420 nan 0.000 0.269 79 P C -0.222 177.063 177.300 -0.024 0.000 1.217 79 P CA -0.593 62.498 63.100 -0.015 0.000 0.783 79 P CB 0.570 32.259 31.700 -0.019 0.000 0.898 80 c N 1.738 120.319 118.600 -0.032 0.000 2.527 80 c HA 0.434 5.005 4.570 0.001 0.000 0.396 80 c C -0.040 174.003 174.090 -0.079 0.000 1.289 80 c CA 0.351 56.655 56.329 -0.042 0.000 2.047 80 c CB -1.028 41.459 42.510 -0.038 0.000 2.568 80 c HN 0.570 nan 8.230 nan 0.000 0.573 81 T N 5.467 119.962 114.554 -0.099 0.000 2.847 81 T HA 0.639 4.989 4.350 0.001 0.000 0.291 81 T C -0.008 174.507 174.700 -0.307 0.000 0.998 81 T CA -0.141 61.821 62.100 -0.230 0.000 0.967 81 T CB 1.315 70.033 68.868 -0.249 0.000 0.954 81 T HN 1.022 nan 8.240 nan 0.000 0.441 82 A N 2.593 125.201 122.820 -0.354 0.000 2.242 82 A HA 0.803 5.124 4.320 0.001 0.000 0.304 82 A C -1.267 175.947 177.584 -0.618 0.000 1.100 82 A CA -0.622 51.242 52.037 -0.288 0.000 0.860 82 A CB 0.592 19.515 19.000 -0.128 0.000 1.168 82 A HN 0.863 nan 8.150 nan 0.000 0.503 83 Y N 0.419 120.678 120.300 -0.067 0.000 2.705 83 Y HA 0.302 4.853 4.550 0.001 0.000 0.355 83 Y C -2.261 173.561 175.900 -0.130 0.000 1.039 83 Y CA -2.210 55.832 58.100 -0.097 0.000 1.233 83 Y CB 0.668 39.087 38.460 -0.068 0.000 1.103 83 Y HN 0.425 nan 8.280 nan 0.000 0.624 84 P HA -0.156 nan 4.420 nan 0.000 0.263 84 P C -0.867 176.221 177.300 -0.355 0.000 1.175 84 P CA 0.610 63.375 63.100 -0.559 0.000 0.761 84 P CB 0.630 31.579 31.700 -1.251 0.000 0.794 85 Y N 3.211 123.384 120.300 -0.211 0.000 2.328 85 Y HA 0.305 4.856 4.550 0.001 0.000 0.333 85 Y C -0.004 176.051 175.900 0.259 0.000 0.958 85 Y CA -1.452 56.659 58.100 0.018 0.000 1.167 85 Y CB 0.858 39.369 38.460 0.084 0.000 1.151 85 Y HN 0.268 nan 8.280 nan 0.000 0.470 86 N N 8.503 127.111 118.700 -0.152 0.000 2.405 86 N HA 0.139 4.880 4.740 0.001 0.000 0.260 86 N C -2.052 173.071 175.510 -0.644 0.000 1.152 86 N CA -1.652 51.333 53.050 -0.108 0.000 0.948 86 N CB 1.518 39.998 38.487 -0.011 0.000 1.111 86 N HN 0.448 nan 8.380 nan 0.000 0.485 87 P HA -0.051 nan 4.420 nan 0.000 0.229 87 P C 1.209 178.354 177.300 -0.258 0.000 1.160 87 P CA 0.473 63.285 63.100 -0.481 0.000 0.777 87 P CB 0.644 32.259 31.700 -0.142 0.000 0.814 88 V N 1.207 121.011 119.914 -0.184 0.000 2.331 88 V HA -0.134 3.986 4.120 0.001 0.000 0.242 88 V C 2.798 178.832 176.094 -0.100 0.000 1.034 88 V CA 2.400 64.634 62.300 -0.111 0.000 1.027 88 V CB -1.578 30.201 31.823 -0.074 0.000 0.667 88 V HN 0.244 nan 8.190 nan 0.000 0.457 89 S N 0.384 116.019 115.700 -0.109 0.000 2.453 89 S HA 0.106 4.576 4.470 0.001 0.000 0.231 89 S C 1.836 176.393 174.600 -0.072 0.000 1.005 89 S CA 0.918 59.074 58.200 -0.073 0.000 0.949 89 S CB -0.023 63.147 63.200 -0.049 0.000 0.774 89 S HN 1.220 nan 8.310 nan 0.000 0.510 90 G N 1.165 109.868 108.800 -0.162 0.000 2.168 90 G HA2 -0.169 3.791 3.960 0.001 0.000 0.263 90 G HA3 -0.169 3.791 3.960 0.001 0.000 0.263 90 G C 0.239 175.189 174.900 0.082 0.000 0.977 90 G CA 0.155 45.240 45.100 -0.025 0.000 0.659 90 G HN 1.292 nan 8.290 nan 0.000 0.533 91 A N -0.612 122.185 122.820 -0.039 0.000 2.371 91 A HA 0.697 5.017 4.320 0.001 0.000 0.257 91 A C 0.924 178.541 177.584 0.055 0.000 1.089 91 A CA 0.560 52.605 52.037 0.014 0.000 0.794 91 A CB 0.360 19.345 19.000 -0.025 0.000 1.029 91 A HN 2.002 nan 8.150 nan 0.000 0.488 92 c N -0.308 118.338 118.600 0.077 0.000 3.080 92 c HA 1.030 5.601 4.570 0.001 0.000 0.307 92 c C -0.073 174.024 174.090 0.012 0.000 1.311 92 c CA -0.084 56.283 56.329 0.064 0.000 1.533 92 c CB 0.876 43.480 42.510 0.158 0.000 1.970 92 c HN 2.015 nan 8.230 nan 0.000 0.467 93 A N 0.588 123.402 122.820 -0.010 0.000 2.608 93 A HA 0.921 5.242 4.320 0.001 0.000 0.292 93 A C -0.399 177.172 177.584 -0.021 0.000 1.066 93 A CA 0.080 52.117 52.037 -0.001 0.000 0.676 93 A CB 0.543 19.490 19.000 -0.089 0.000 1.277 93 A HN 2.592 nan 8.150 nan 0.000 0.413 94 A N -0.315 122.481 122.820 -0.039 0.000 2.366 94 A HA 0.785 5.105 4.320 0.001 0.000 0.249 94 A C 0.604 178.010 177.584 -0.297 0.000 1.084 94 A CA 0.425 52.270 52.037 -0.319 0.000 0.794 94 A CB 0.330 19.223 19.000 -0.178 0.000 1.034 94 A HN 2.553 nan 8.150 nan 0.000 0.491 95 G N -0.477 108.099 108.800 -0.374 0.000 2.616 95 G HA2 0.560 4.521 3.960 0.001 0.000 0.294 95 G HA3 0.560 4.521 3.960 0.001 0.000 0.294 95 G C -0.670 174.100 174.900 -0.216 0.000 1.489 95 G CA 0.137 45.094 45.100 -0.238 0.000 0.836 95 G HN 1.496 nan 8.290 nan 0.000 0.527 96 S N 0.296 115.916 115.700 -0.133 0.000 2.578 96 S HA 0.750 5.221 4.470 0.001 0.000 0.283 96 S C 0.196 174.744 174.600 -0.086 0.000 1.195 96 S CA -0.755 57.381 58.200 -0.107 0.000 1.050 96 S CB 1.495 64.651 63.200 -0.073 0.000 1.012 96 S HN 0.622 nan 8.310 nan 0.000 0.511 97 L N 2.181 123.350 121.223 -0.090 0.000 2.452 97 L HA 0.561 4.901 4.340 0.001 0.000 0.267 97 L C 0.602 177.398 176.870 -0.124 0.000 1.188 97 L CA -0.003 54.781 54.840 -0.093 0.000 0.821 97 L CB 1.306 43.304 42.059 -0.101 0.000 1.102 97 L HN 0.883 nan 8.230 nan 0.000 0.470 98 S N 0.007 115.621 115.700 -0.143 0.000 2.547 98 S HA 0.381 4.851 4.470 0.001 0.000 0.270 98 S C -1.006 173.487 174.600 -0.178 0.000 1.150 98 S CA -0.872 57.224 58.200 -0.173 0.000 0.850 98 S CB 0.864 64.049 63.200 -0.025 0.000 1.118 98 S HN 0.550 nan 8.310 nan 0.000 0.461 99 H N 1.592 120.699 119.070 0.061 0.000 2.582 99 H HA 0.559 5.116 4.556 0.001 0.000 0.345 99 H C 0.486 175.869 175.328 0.091 0.000 1.104 99 H CA 0.062 56.151 56.048 0.069 0.000 1.390 99 H CB 1.532 31.322 29.762 0.046 0.000 1.461 99 H HN 0.624 nan 8.280 nan 0.000 0.551 100 T N 1.672 116.365 114.554 0.232 0.000 2.711 100 T HA 0.328 4.678 4.350 0.001 0.000 0.302 100 T C -1.129 173.696 174.700 0.208 0.000 1.373 100 T CA -0.995 61.233 62.100 0.214 0.000 1.000 100 T CB 1.269 70.335 68.868 0.331 0.000 1.483 100 T HN 0.419 nan 8.240 nan 0.000 0.499 101 R N 1.727 122.327 120.500 0.167 0.000 2.338 101 R HA 0.484 4.825 4.340 0.001 0.000 0.317 101 R C -1.136 175.323 176.300 0.265 0.000 0.968 101 R CA -0.805 55.386 56.100 0.151 0.000 0.849 101 R CB 0.461 30.770 30.300 0.015 0.000 1.128 101 R HN 0.555 nan 8.270 nan 0.000 0.448 102 F N 3.947 123.983 119.950 0.144 0.000 2.390 102 F HA 0.291 4.818 4.527 0.001 0.000 0.361 102 F C -0.562 175.284 175.800 0.076 0.000 1.124 102 F CA -1.329 56.769 58.000 0.164 0.000 1.149 102 F CB 0.803 39.875 39.000 0.120 0.000 1.160 102 F HN 0.099 nan 8.300 nan 0.000 0.501 103 V N 7.262 127.138 119.914 -0.064 0.000 2.347 103 V HA 0.831 4.952 4.120 0.001 0.000 0.280 103 V C 0.126 176.031 176.094 -0.315 0.000 1.021 103 V CA 0.075 62.265 62.300 -0.183 0.000 0.847 103 V CB 0.206 32.002 31.823 -0.044 0.000 0.990 103 V HN 1.059 nan 8.190 nan 0.000 0.444 104 A N 5.220 127.809 122.820 -0.385 0.000 2.765 104 A HA 0.750 5.071 4.320 0.001 0.000 0.305 104 A C -0.971 176.523 177.584 -0.151 0.000 1.229 104 A CA -0.747 51.116 52.037 -0.290 0.000 0.653 104 A CB 1.291 19.993 19.000 -0.497 0.000 1.375 104 A HN 0.553 nan 8.150 nan 0.000 0.540 105 N N 0.205 118.857 118.700 -0.080 0.000 2.384 105 N HA 0.612 5.352 4.740 0.001 0.000 0.301 105 N C -0.413 175.086 175.510 -0.017 0.000 1.133 105 N CA 0.161 53.191 53.050 -0.033 0.000 0.853 105 N CB 1.793 40.281 38.487 0.001 0.000 1.241 105 N HN 0.838 nan 8.380 nan 0.000 0.502 106 T N -2.048 112.502 114.554 -0.007 0.000 2.847 106 T HA 0.553 4.903 4.350 0.001 0.000 0.279 106 T C 0.343 175.052 174.700 0.016 0.000 0.984 106 T CA -0.484 61.622 62.100 0.010 0.000 0.988 106 T CB 1.566 70.438 68.868 0.007 0.000 1.040 106 T HN 0.389 nan 8.240 nan 0.000 0.528 107 T N -0.600 113.965 114.554 0.018 0.000 2.885 107 T HA 0.411 4.761 4.350 0.001 0.000 0.322 107 T C -0.865 173.830 174.700 -0.007 0.000 1.387 107 T CA -0.491 61.612 62.100 0.005 0.000 1.041 107 T CB 1.619 70.490 68.868 0.005 0.000 1.287 107 T HN 0.781 nan 8.240 nan 0.000 0.491 108 D N 0.942 121.327 120.400 -0.024 0.000 2.449 108 D HA 0.306 4.947 4.640 0.001 0.000 0.210 108 D C 1.138 177.397 176.300 -0.068 0.000 1.094 108 D CA 0.652 54.632 54.000 -0.034 0.000 0.846 108 D CB 0.392 41.177 40.800 -0.026 0.000 1.003 108 D HN 0.660 nan 8.370 nan 0.000 0.504 109 G N 0.481 109.222 108.800 -0.098 0.000 2.607 109 G HA2 0.211 4.171 3.960 0.001 0.000 0.162 109 G HA3 0.211 4.171 3.960 0.001 0.000 0.162 109 G C 0.742 175.492 174.900 -0.249 0.000 1.583 109 G CA 0.351 45.341 45.100 -0.183 0.000 0.779 109 G HN 0.287 nan 8.290 nan 0.000 0.747 110 S N -0.883 114.682 115.700 -0.225 0.000 2.744 110 S HA 0.432 4.903 4.470 0.001 0.000 0.265 110 S C 0.236 174.848 174.600 0.020 0.000 1.065 110 S CA -0.202 57.897 58.200 -0.168 0.000 1.191 110 S CB 0.723 63.730 63.200 -0.322 0.000 1.150 110 S HN 0.142 nan 8.310 nan 0.000 0.646 111 K N 2.753 123.158 120.400 0.009 0.000 2.156 111 K HA 0.537 4.858 4.320 0.001 0.000 0.254 111 K C -3.162 173.454 176.600 0.027 0.000 0.950 111 K CA -2.356 53.956 56.287 0.042 0.000 0.849 111 K CB 1.198 33.723 32.500 0.042 0.000 1.100 111 K HN 0.074 nan 8.250 nan 0.000 0.434 112 P HA 0.018 nan 4.420 nan 0.000 0.267 112 P C 0.660 177.969 177.300 0.015 0.000 1.209 112 P CA -0.082 63.033 63.100 0.025 0.000 0.763 112 P CB 0.616 32.334 31.700 0.029 0.000 0.816 113 V N 1.986 121.905 119.914 0.009 0.000 2.326 113 V HA 0.024 4.144 4.120 0.001 0.000 0.238 113 V C 1.086 177.182 176.094 0.002 0.000 1.038 113 V CA 1.939 64.242 62.300 0.004 0.000 1.032 113 V CB -0.564 31.260 31.823 0.002 0.000 0.675 113 V HN 0.818 nan 8.190 nan 0.000 0.467 114 S N -1.748 113.951 115.700 -0.001 0.000 2.578 114 S HA 0.365 4.835 4.470 0.001 0.000 0.272 114 S C -0.938 173.653 174.600 -0.016 0.000 1.145 114 S CA -0.867 57.330 58.200 -0.006 0.000 0.835 114 S CB 1.782 64.978 63.200 -0.006 0.000 1.104 114 S HN 0.265 nan 8.310 nan 0.000 0.458 115 K N 0.127 120.515 120.400 -0.020 0.000 2.542 115 K HA 0.333 4.653 4.320 0.001 0.000 0.276 115 K C -0.872 175.704 176.600 -0.041 0.000 0.963 115 K CA 0.307 56.574 56.287 -0.034 0.000 0.975 115 K CB 0.271 32.754 32.500 -0.028 0.000 0.901 115 K HN 0.772 nan 8.250 nan 0.000 0.506 116 V N 3.062 122.937 119.914 -0.065 0.000 3.023 116 V HA 0.252 4.373 4.120 0.001 0.000 0.294 116 V C -1.925 174.114 176.094 -0.092 0.000 1.324 116 V CA -0.801 61.460 62.300 -0.066 0.000 0.979 116 V CB 2.198 33.986 31.823 -0.060 0.000 1.093 116 V HN 0.981 nan 8.190 nan 0.000 0.434 117 N N 4.082 122.747 118.700 -0.058 0.000 2.417 117 N HA 0.671 5.412 4.740 0.001 0.000 0.274 117 N C -1.165 174.339 175.510 -0.011 0.000 0.987 117 N CA -0.575 52.448 53.050 -0.045 0.000 0.912 117 N CB 2.199 40.671 38.487 -0.026 0.000 1.177 117 N HN 0.503 nan 8.380 nan 0.000 0.490 118 V N 1.301 121.224 119.914 0.015 0.000 2.370 118 V HA 0.489 4.609 4.120 0.001 0.000 0.279 118 V C 0.884 177.056 176.094 0.130 0.000 1.029 118 V CA -0.937 61.412 62.300 0.081 0.000 0.870 118 V CB 1.271 33.176 31.823 0.135 0.000 0.984 118 V HN 0.749 nan 8.190 nan 0.000 0.451 119 G N 4.038 112.899 108.800 0.101 0.000 2.358 119 G HA2 0.500 4.460 3.960 0.001 0.000 0.273 119 G HA3 0.500 4.460 3.960 0.001 0.000 0.273 119 G C -0.303 174.683 174.900 0.143 0.000 1.215 119 G CA -0.042 45.129 45.100 0.118 0.000 0.910 119 G HN 1.081 nan 8.290 nan 0.000 0.467 120 V N 1.730 121.748 119.914 0.175 0.000 2.709 120 V HA 0.640 4.761 4.120 0.001 0.000 0.308 120 V C -0.110 176.066 176.094 0.136 0.000 1.062 120 V CA -1.408 60.975 62.300 0.139 0.000 0.901 120 V CB 1.727 33.613 31.823 0.106 0.000 1.003 120 V HN 0.552 nan 8.190 nan 0.000 0.425 121 L N 4.304 125.579 121.223 0.087 0.000 2.360 121 L HA 0.739 5.080 4.340 0.001 0.000 0.276 121 L C 0.596 177.474 176.870 0.013 0.000 1.121 121 L CA 0.481 55.335 54.840 0.022 0.000 0.845 121 L CB 1.049 43.104 42.059 -0.005 0.000 1.143 121 L HN 1.074 nan 8.230 nan 0.000 0.452 122 A N 3.425 126.256 122.820 0.019 0.000 2.475 122 A HA 0.852 5.172 4.320 0.001 0.000 0.301 122 A C -0.502 177.110 177.584 0.046 0.000 1.059 122 A CA -0.506 51.556 52.037 0.040 0.000 0.710 122 A CB 1.499 20.545 19.000 0.076 0.000 1.288 122 A HN 0.721 nan 8.150 nan 0.000 0.408 123 A N 0.091 122.961 122.820 0.082 0.000 2.351 123 A HA 0.517 4.837 4.320 0.001 0.000 0.257 123 A C 0.005 177.646 177.584 0.096 0.000 1.087 123 A CA -0.115 51.955 52.037 0.055 0.000 0.798 123 A CB -0.086 18.935 19.000 0.035 0.000 1.033 123 A HN 1.071 nan 8.150 nan 0.000 0.488 124 c N 1.596 120.211 118.600 0.026 0.000 2.295 124 c HA 0.729 5.300 4.570 0.001 0.000 0.331 124 c C 0.834 174.912 174.090 -0.021 0.000 1.280 124 c CA -0.102 56.255 56.329 0.046 0.000 1.746 124 c CB -0.057 42.466 42.510 0.022 0.000 2.328 124 c HN 0.974 nan 8.230 nan 0.000 0.521 125 A N 5.854 128.683 122.820 0.015 0.000 2.355 125 A HA 0.920 5.241 4.320 0.001 0.000 0.324 125 A C -2.598 174.959 177.584 -0.045 0.000 1.117 125 A CA -1.244 50.718 52.037 -0.125 0.000 0.785 125 A CB 0.748 19.563 19.000 -0.308 0.000 1.254 125 A HN 0.687 nan 8.150 nan 0.000 0.453 126 P HA 0.109 nan 4.420 nan 0.000 0.275 126 P C 0.854 178.152 177.300 -0.003 0.000 1.228 126 P CA 0.062 63.142 63.100 -0.033 0.000 0.786 126 P CB 1.281 32.952 31.700 -0.049 0.000 0.927 127 S N 2.444 118.159 115.700 0.025 0.000 2.469 127 S HA -0.194 4.277 4.470 0.001 0.000 0.238 127 S C 1.513 176.139 174.600 0.042 0.000 0.998 127 S CA 0.970 59.200 58.200 0.050 0.000 0.957 127 S CB -0.812 62.415 63.200 0.046 0.000 0.764 127 S HN 0.641 nan 8.310 nan 0.000 0.514 128 K N 1.080 121.490 120.400 0.016 0.000 2.283 128 K HA 0.078 4.398 4.320 0.001 0.000 0.202 128 K C 1.863 178.471 176.600 0.013 0.000 1.048 128 K CA 0.925 57.218 56.287 0.011 0.000 0.948 128 K CB -0.464 32.034 32.500 -0.003 0.000 0.742 128 K HN 0.424 nan 8.250 nan 0.000 0.458 129 L N 1.393 122.616 121.223 0.001 0.000 2.551 129 L HA 0.015 4.356 4.340 0.001 0.000 0.228 129 L C 1.982 178.954 176.870 0.170 0.000 1.153 129 L CA 0.295 55.140 54.840 0.008 0.000 0.851 129 L CB -0.225 41.712 42.059 -0.205 0.000 0.959 129 L HN 0.252 nan 8.230 nan 0.000 0.451 130 L N 0.076 121.395 121.223 0.161 0.000 2.456 130 L HA -0.028 4.313 4.340 0.001 0.000 0.224 130 L C 1.494 178.409 176.870 0.075 0.000 1.148 130 L CA -0.250 54.675 54.840 0.142 0.000 0.825 130 L CB -0.667 41.453 42.059 0.102 0.000 0.937 130 L HN 0.192 nan 8.230 nan 0.000 0.450 131 A N -0.539 122.313 122.820 0.053 0.000 2.565 131 A HA 0.121 4.441 4.320 0.001 0.000 0.237 131 A C 1.358 178.952 177.584 0.016 0.000 1.053 131 A CA 0.896 52.949 52.037 0.025 0.000 0.755 131 A CB 0.296 19.304 19.000 0.014 0.000 0.980 131 A HN 0.318 nan 8.150 nan 0.000 0.506 132 S N -0.338 115.364 115.700 0.004 0.000 2.596 132 S HA -0.142 4.328 4.470 0.001 0.000 0.260 132 S C 0.322 174.911 174.600 -0.018 0.000 1.282 132 S CA 1.284 59.478 58.200 -0.009 0.000 1.357 132 S CB -1.931 61.259 63.200 -0.016 0.000 1.674 132 S HN 0.713 nan 8.310 nan 0.000 0.641 133 L N 1.505 122.720 121.223 -0.013 0.000 2.431 133 L HA 0.479 4.819 4.340 0.001 0.000 0.260 133 L C -1.989 174.860 176.870 -0.035 0.000 1.098 133 L CA -2.241 52.578 54.840 -0.035 0.000 0.800 133 L CB -0.026 42.010 42.059 -0.039 0.000 1.210 133 L HN 0.002 nan 8.230 nan 0.000 0.465 134 P HA 0.135 nan 4.420 nan 0.000 0.271 134 P C -0.992 176.292 177.300 -0.026 0.000 1.218 134 P CA -0.379 62.695 63.100 -0.042 0.000 0.780 134 P CB 0.393 32.059 31.700 -0.057 0.000 0.901 135 R N 1.733 122.224 120.500 -0.016 0.000 2.538 135 R HA 0.276 4.617 4.340 0.001 0.000 0.282 135 R C 1.327 177.626 176.300 -0.002 0.000 1.009 135 R CA 1.107 57.204 56.100 -0.004 0.000 1.063 135 R CB -0.666 29.634 30.300 -0.001 0.000 0.945 135 R HN 0.909 nan 8.270 nan 0.000 0.414 136 G N 1.708 110.512 108.800 0.007 0.000 2.213 136 G HA2 -0.267 3.693 3.960 0.001 0.000 0.236 136 G HA3 -0.267 3.693 3.960 0.001 0.000 0.236 136 G C -0.046 174.860 174.900 0.010 0.000 0.991 136 G CA -0.096 45.012 45.100 0.015 0.000 0.629 136 G HN 0.542 nan 8.290 nan 0.000 0.517 137 S N 1.187 116.880 115.700 -0.011 0.000 2.465 137 S HA 0.501 4.971 4.470 0.001 0.000 0.279 137 S C 1.179 175.761 174.600 -0.031 0.000 1.201 137 S CA 0.438 58.612 58.200 -0.043 0.000 1.053 137 S CB 1.464 64.613 63.200 -0.085 0.000 0.953 137 S HN 0.877 nan 8.310 nan 0.000 0.488 138 T N -0.176 114.363 114.554 -0.025 0.000 3.105 138 T HA 0.549 4.899 4.350 0.001 0.000 0.253 138 T C 0.838 175.503 174.700 -0.059 0.000 1.047 138 T CA 0.157 62.269 62.100 0.020 0.000 0.944 138 T CB 0.057 68.985 68.868 0.101 0.000 1.016 138 T HN 0.789 nan 8.240 nan 0.000 0.544 139 G N 0.318 108.941 108.800 -0.296 0.000 2.452 139 G HA2 0.420 4.381 3.960 0.001 0.000 0.224 139 G HA3 0.420 4.381 3.960 0.001 0.000 0.224 139 G C -2.063 172.236 174.900 -1.002 0.000 1.208 139 G CA -0.212 44.409 45.100 -0.798 0.000 0.946 139 G HN 0.371 nan 8.290 nan 0.000 0.481 140 V N 0.878 119.954 119.914 -1.397 0.000 2.623 140 V HA 0.707 4.828 4.120 0.001 0.000 0.304 140 V C 0.175 175.799 176.094 -0.783 0.000 1.054 140 V CA -0.103 61.578 62.300 -1.031 0.000 0.882 140 V CB 1.369 32.499 31.823 -1.155 0.000 1.002 140 V HN 1.664 nan 8.190 nan 0.000 0.424 141 A N 3.655 126.130 122.820 -0.576 0.000 2.316 141 A HA 0.700 5.020 4.320 0.001 0.000 0.311 141 A C 0.670 178.038 177.584 -0.360 0.000 1.339 141 A CA 0.100 51.834 52.037 -0.504 0.000 0.960 141 A CB 0.232 18.915 19.000 -0.529 0.000 1.152 141 A HN 1.109 nan 8.150 nan 0.000 0.547 142 G N 1.349 109.973 108.800 -0.293 0.000 2.380 142 G HA2 0.466 4.426 3.960 0.001 0.000 0.262 142 G HA3 0.466 4.426 3.960 0.001 0.000 0.262 142 G C 0.262 175.031 174.900 -0.218 0.000 1.243 142 G CA -0.420 44.566 45.100 -0.190 0.000 0.865 142 G HN 0.718 nan 8.290 nan 0.000 0.513 143 L N 2.019 123.118 121.223 -0.205 0.000 2.965 143 L HA 0.283 4.623 4.340 0.001 0.000 0.254 143 L C 1.493 178.345 176.870 -0.030 0.000 1.220 143 L CA -0.311 54.354 54.840 -0.292 0.000 1.023 143 L CB -0.110 41.639 42.059 -0.518 0.000 1.355 143 L HN 0.605 nan 8.230 nan 0.000 0.545 144 A N 0.241 123.030 122.820 -0.052 0.000 2.296 144 A HA 0.155 4.475 4.320 0.001 0.000 0.264 144 A C 0.461 178.001 177.584 -0.074 0.000 1.097 144 A CA -0.242 51.700 52.037 -0.159 0.000 0.811 144 A CB 0.131 18.995 19.000 -0.227 0.000 1.072 144 A HN 0.273 nan 8.150 nan 0.000 0.495 145 N N 0.397 118.969 118.700 -0.213 0.000 2.895 145 N HA 0.270 5.011 4.740 0.001 0.000 0.277 145 N C -0.696 174.827 175.510 0.021 0.000 1.185 145 N CA 0.601 53.653 53.050 0.004 0.000 1.106 145 N CB -0.450 38.050 38.487 0.021 0.000 1.422 145 N HN 0.714 nan 8.380 nan 0.000 0.521 146 S N -1.226 114.515 115.700 0.068 0.000 2.607 146 S HA 0.563 5.034 4.470 0.001 0.000 0.273 146 S C 1.125 175.795 174.600 0.116 0.000 1.148 146 S CA -0.563 57.727 58.200 0.151 0.000 0.833 146 S CB 1.026 64.364 63.200 0.229 0.000 1.130 146 S HN 0.149 nan 8.310 nan 0.000 0.470 147 G N -0.026 108.845 108.800 0.119 0.000 2.443 147 G HA2 0.056 4.017 3.960 0.001 0.000 0.219 147 G HA3 0.056 4.017 3.960 0.001 0.000 0.219 147 G C 0.788 175.723 174.900 0.060 0.000 1.131 147 G CA 0.399 45.548 45.100 0.082 0.000 0.775 147 G HN 0.659 nan 8.290 nan 0.000 0.547 148 L N 0.627 121.884 121.223 0.056 0.000 2.769 148 L HA 0.417 4.757 4.340 0.001 0.000 0.240 148 L C 1.406 178.275 176.870 -0.002 0.000 1.163 148 L CA -0.604 54.254 54.840 0.029 0.000 0.962 148 L CB 0.212 42.290 42.059 0.032 0.000 1.258 148 L HN 0.181 nan 8.230 nan 0.000 0.513 149 A N 0.065 122.882 122.820 -0.004 0.000 2.366 149 A HA 0.116 4.436 4.320 0.001 0.000 0.249 149 A C 1.070 178.583 177.584 -0.119 0.000 1.084 149 A CA -0.301 51.696 52.037 -0.066 0.000 0.794 149 A CB 0.544 19.513 19.000 -0.051 0.000 1.034 149 A HN 0.188 nan 8.150 nan 0.000 0.491 150 L N 2.017 123.097 121.223 -0.239 0.000 2.042 150 L HA -0.047 4.294 4.340 0.001 0.000 0.210 150 L C -0.837 175.859 176.870 -0.290 0.000 1.076 150 L CA 2.546 57.166 54.840 -0.367 0.000 0.749 150 L CB -1.232 40.434 42.059 -0.655 0.000 0.893 150 L HN 0.537 nan 8.230 nan 0.000 0.432 151 P HA -0.112 nan 4.420 nan 0.000 0.216 151 P C 1.543 178.913 177.300 0.116 0.000 1.153 151 P CA 1.890 65.043 63.100 0.089 0.000 0.848 151 P CB -0.179 31.633 31.700 0.186 0.000 0.787 152 A N -0.211 122.659 122.820 0.083 0.000 1.902 152 A HA -0.256 4.065 4.320 0.001 0.000 0.217 152 A C 2.269 179.891 177.584 0.064 0.000 1.181 152 A CA 1.594 53.686 52.037 0.091 0.000 0.623 152 A CB -1.337 17.712 19.000 0.083 0.000 0.818 152 A HN 0.183 nan 8.150 nan 0.000 0.443 153 Q N -0.644 119.169 119.800 0.023 0.000 2.079 153 Q HA -0.088 4.253 4.340 0.001 0.000 0.200 153 Q C 2.154 178.183 176.000 0.048 0.000 0.974 153 Q CA 1.492 57.311 55.803 0.027 0.000 0.840 153 Q CB -0.288 28.450 28.738 -0.001 0.000 0.898 153 Q HN 0.486 nan 8.270 nan 0.000 0.430 154 V N 1.040 120.978 119.914 0.039 0.000 2.407 154 V HA -0.278 3.843 4.120 0.001 0.000 0.248 154 V C 2.285 178.446 176.094 0.111 0.000 1.055 154 V CA 1.712 64.064 62.300 0.088 0.000 1.049 154 V CB -0.932 30.949 31.823 0.098 0.000 0.662 154 V HN 0.382 nan 8.190 nan 0.000 0.455 155 A N 0.887 123.778 122.820 0.119 0.000 1.873 155 A HA -0.267 4.053 4.320 0.001 0.000 0.218 155 A C 2.556 180.195 177.584 0.091 0.000 1.193 155 A CA 2.863 54.971 52.037 0.119 0.000 0.629 155 A CB -0.904 18.174 19.000 0.129 0.000 0.826 155 A HN 0.685 nan 8.150 nan 0.000 0.447 156 S N 0.102 115.849 115.700 0.079 0.000 2.357 156 S HA 0.105 4.575 4.470 0.001 0.000 0.221 156 S C 2.207 176.843 174.600 0.061 0.000 1.031 156 S CA 1.310 59.550 58.200 0.066 0.000 0.982 156 S CB -0.941 62.295 63.200 0.061 0.000 0.853 156 S HN 0.987 nan 8.310 nan 0.000 0.458 157 A N 1.828 124.687 122.820 0.065 0.000 1.873 157 A HA -0.150 4.170 4.320 0.001 0.000 0.218 157 A C 2.287 179.906 177.584 0.057 0.000 1.193 157 A CA 1.718 53.791 52.037 0.061 0.000 0.629 157 A CB -0.703 18.340 19.000 0.071 0.000 0.826 157 A HN 0.536 nan 8.150 nan 0.000 0.447 158 Q N -1.130 118.710 119.800 0.067 0.000 2.360 158 Q HA 0.047 4.388 4.340 0.001 0.000 0.202 158 Q C -0.435 175.599 176.000 0.057 0.000 0.915 158 Q CA 0.098 55.938 55.803 0.062 0.000 0.943 158 Q CB 0.349 29.133 28.738 0.076 0.000 1.064 158 Q HN 0.491 nan 8.270 nan 0.000 0.511 159 K N 0.412 120.847 120.400 0.058 0.000 3.278 159 K HA -0.151 4.170 4.320 0.001 0.000 0.270 159 K C -0.071 176.564 176.600 0.059 0.000 0.955 159 K CA 0.639 56.958 56.287 0.054 0.000 0.723 159 K CB -2.481 30.044 32.500 0.041 0.000 1.382 159 K HN 0.279 nan 8.250 nan 0.000 0.461 160 V N -3.790 116.169 119.914 0.075 0.000 3.181 160 V HA 0.879 4.999 4.120 0.001 0.000 0.314 160 V C 0.419 176.571 176.094 0.096 0.000 1.173 160 V CA -0.692 61.658 62.300 0.084 0.000 1.052 160 V CB 2.050 33.934 31.823 0.101 0.000 1.123 160 V HN 0.316 nan 8.190 nan 0.000 0.454 161 A N 1.297 124.178 122.820 0.100 0.000 2.462 161 A HA 0.346 4.666 4.320 0.001 0.000 0.243 161 A C 0.484 178.155 177.584 0.145 0.000 1.076 161 A CA 0.202 52.303 52.037 0.107 0.000 0.773 161 A CB -0.595 18.462 19.000 0.094 0.000 1.010 161 A HN 1.132 nan 8.150 nan 0.000 0.493 162 N N 1.328 120.114 118.700 0.144 0.000 2.744 162 N HA 0.191 4.931 4.740 0.001 0.000 0.290 162 N C -0.173 175.469 175.510 0.220 0.000 1.206 162 N CA 0.199 53.358 53.050 0.182 0.000 1.119 162 N CB -0.628 37.953 38.487 0.155 0.000 1.449 162 N HN 0.709 nan 8.380 nan 0.000 0.514 163 R N 1.851 122.512 120.500 0.268 0.000 2.634 163 R HA 0.473 4.814 4.340 0.001 0.000 0.263 163 R C -1.818 174.694 176.300 0.354 0.000 1.060 163 R CA -0.836 55.417 56.100 0.255 0.000 0.898 163 R CB 0.574 30.966 30.300 0.152 0.000 1.253 163 R HN 0.148 nan 8.270 nan 0.000 0.461 164 F N 1.638 121.674 119.950 0.143 0.000 2.668 164 F HA 0.646 5.173 4.527 0.001 0.000 0.309 164 F C -2.248 173.594 175.800 0.069 0.000 1.117 164 F CA -1.238 56.785 58.000 0.038 0.000 0.951 164 F CB 1.557 40.536 39.000 -0.035 0.000 1.323 164 F HN 0.462 nan 8.300 nan 0.000 0.451 165 L N 3.753 125.040 121.223 0.105 0.000 2.341 165 L HA 0.714 5.055 4.340 0.001 0.000 0.278 165 L C -1.707 175.252 176.870 0.148 0.000 1.005 165 L CA -0.658 54.233 54.840 0.085 0.000 0.818 165 L CB 1.639 43.735 42.059 0.061 0.000 1.259 165 L HN 0.789 nan 8.230 nan 0.000 0.418 166 L N 4.969 126.314 121.223 0.202 0.000 2.346 166 L HA 0.493 4.834 4.340 0.001 0.000 0.276 166 L C -1.053 175.906 176.870 0.147 0.000 1.006 166 L CA -0.613 54.336 54.840 0.182 0.000 0.817 166 L CB 1.984 44.188 42.059 0.242 0.000 1.272 166 L HN 0.658 nan 8.230 nan 0.000 0.421 167 c N 5.382 124.044 118.600 0.104 0.000 2.978 167 c HA 0.416 4.986 4.570 0.001 0.000 0.274 167 c C -0.000 174.092 174.090 0.003 0.000 1.087 167 c CA -0.628 55.733 56.329 0.052 0.000 1.453 167 c CB -0.486 42.048 42.510 0.041 0.000 1.838 167 c HN 0.634 nan 8.230 nan 0.000 0.470 168 L N 7.273 128.472 121.223 -0.041 0.000 2.360 168 L HA 0.364 4.705 4.340 0.001 0.000 0.276 168 L C -1.768 175.092 176.870 -0.016 0.000 1.121 168 L CA -0.922 53.838 54.840 -0.132 0.000 0.845 168 L CB 0.853 42.650 42.059 -0.436 0.000 1.143 168 L HN 0.427 nan 8.230 nan 0.000 0.452 169 P HA 0.170 nan 4.420 nan 0.000 0.287 169 P C 0.288 177.670 177.300 0.136 0.000 1.270 169 P CA -0.574 62.571 63.100 0.074 0.000 0.844 169 P CB 1.590 33.334 31.700 0.073 0.000 1.068 170 T N -0.775 113.817 114.554 0.063 0.000 2.896 170 T HA 0.277 4.627 4.350 0.001 0.000 0.263 170 T C 0.974 175.699 174.700 0.042 0.000 1.050 170 T CA 0.888 63.025 62.100 0.061 0.000 1.140 170 T CB -0.602 68.275 68.868 0.014 0.000 0.877 170 T HN 0.645 nan 8.240 nan 0.000 0.457 171 G N -1.311 107.503 108.800 0.024 0.000 2.600 171 G HA2 0.573 4.534 3.960 0.001 0.000 0.293 171 G HA3 0.573 4.534 3.960 0.001 0.000 0.293 171 G C -0.084 174.823 174.900 0.012 0.000 1.408 171 G CA -0.145 44.965 45.100 0.017 0.000 0.782 171 G HN 1.051 nan 8.290 nan 0.000 0.482 172 G N -0.597 108.210 108.800 0.013 0.000 2.860 172 G HA2 0.115 4.076 3.960 0.001 0.000 0.553 172 G HA3 0.115 4.076 3.960 0.001 0.000 0.553 172 G C -2.646 172.271 174.900 0.028 0.000 1.439 172 G CA -0.089 45.019 45.100 0.013 0.000 0.879 172 G HN 0.918 nan 8.290 nan 0.000 0.545 173 P HA 0.436 nan 4.420 nan 0.000 0.281 173 P C 0.839 178.166 177.300 0.044 0.000 1.286 173 P CA 0.863 63.993 63.100 0.050 0.000 0.772 173 P CB 0.879 32.611 31.700 0.054 0.000 0.862 174 G N 2.544 111.379 108.800 0.059 0.000 2.531 174 G HA2 0.516 4.477 3.960 0.001 0.000 0.253 174 G HA3 0.516 4.477 3.960 0.001 0.000 0.253 174 G C -0.920 174.035 174.900 0.092 0.000 1.439 174 G CA -0.494 44.636 45.100 0.050 0.000 1.056 174 G HN 0.372 nan 8.290 nan 0.000 0.555 175 V N -0.625 119.354 119.914 0.107 0.000 2.760 175 V HA 0.713 4.834 4.120 0.001 0.000 0.309 175 V C -0.287 175.875 176.094 0.114 0.000 1.077 175 V CA -0.585 61.811 62.300 0.159 0.000 0.910 175 V CB 1.496 33.503 31.823 0.306 0.000 1.008 175 V HN 1.207 nan 8.190 nan 0.000 0.424 176 A N 5.553 128.415 122.820 0.071 0.000 2.385 176 A HA 0.907 5.227 4.320 0.001 0.000 0.290 176 A C -1.064 176.399 177.584 -0.202 0.000 1.094 176 A CA -0.359 51.617 52.037 -0.102 0.000 0.729 176 A CB 0.878 19.823 19.000 -0.092 0.000 1.194 176 A HN 0.752 nan 8.150 nan 0.000 0.442 177 I N 2.352 122.758 120.570 -0.273 0.000 2.436 177 I HA 0.416 4.586 4.170 0.001 0.000 0.289 177 I C -1.306 174.639 176.117 -0.286 0.000 1.010 177 I CA -0.413 60.787 61.300 -0.166 0.000 1.098 177 I CB 1.692 39.676 38.000 -0.027 0.000 1.266 177 I HN 0.568 nan 8.210 nan 0.000 0.434 178 F N 4.140 124.210 119.950 0.200 0.000 2.411 178 F HA 0.618 5.145 4.527 0.001 0.000 0.352 178 F C 1.083 176.982 175.800 0.166 0.000 1.123 178 F CA -0.379 57.745 58.000 0.208 0.000 1.044 178 F CB 1.612 40.721 39.000 0.182 0.000 1.135 178 F HN 0.701 nan 8.300 nan 0.000 0.461 179 G N 0.923 109.898 108.800 0.292 0.000 2.367 179 G HA2 0.270 4.230 3.960 0.001 0.000 0.181 179 G HA3 0.270 4.230 3.960 0.001 0.000 0.181 179 G C 0.575 175.558 174.900 0.137 0.000 1.000 179 G CA -0.160 45.061 45.100 0.202 0.000 0.693 179 G HN 1.522 nan 8.290 nan 0.000 0.480 180 G N -0.070 108.801 108.800 0.119 0.000 2.514 180 G HA2 0.410 4.371 3.960 0.001 0.000 0.265 180 G HA3 0.410 4.371 3.960 0.001 0.000 0.265 180 G C 1.468 176.393 174.900 0.041 0.000 1.150 180 G CA 1.780 46.926 45.100 0.077 0.000 0.959 180 G HN 2.715 nan 8.290 nan 0.000 0.556 181 G N -0.419 108.399 108.800 0.031 0.000 2.750 181 G HA2 0.290 4.250 3.960 0.001 0.000 0.228 181 G HA3 0.290 4.250 3.960 0.001 0.000 0.228 181 G C -1.705 173.189 174.900 -0.009 0.000 1.367 181 G CA 0.810 45.914 45.100 0.007 0.000 0.871 181 G HN 1.649 nan 8.290 nan 0.000 0.560 182 P HA 0.472 nan 4.420 nan 0.000 0.279 182 P C 0.222 177.480 177.300 -0.070 0.000 1.239 182 P CA -0.420 62.658 63.100 -0.038 0.000 0.789 182 P CB 1.087 32.761 31.700 -0.044 0.000 0.933 183 V N 5.552 125.437 119.914 -0.048 0.000 2.493 183 V HA 0.067 4.188 4.120 0.001 0.000 0.292 183 V C -1.309 174.692 176.094 -0.155 0.000 1.016 183 V CA -0.641 61.617 62.300 -0.069 0.000 1.097 183 V CB -0.388 31.442 31.823 0.012 0.000 0.947 183 V HN 0.662 nan 8.190 nan 0.000 0.479 184 P HA 0.150 nan 4.420 nan 0.000 0.279 184 P C -0.394 176.707 177.300 -0.331 0.000 1.282 184 P CA -0.478 62.273 63.100 -0.582 0.000 0.788 184 P CB 0.340 31.312 31.700 -1.213 0.000 1.139 185 W N -2.520 118.773 121.300 -0.012 0.000 5.822 185 W HA -0.088 4.572 4.660 0.001 0.000 0.422 185 W C -1.739 174.716 176.519 -0.106 0.000 1.673 185 W CA -0.186 57.130 57.345 -0.049 0.000 0.989 185 W CB -2.725 26.790 29.460 0.093 0.000 2.899 185 W HN 0.434 nan 8.180 nan 0.000 1.375 186 P HA -0.270 nan 4.420 nan 0.000 0.219 186 P C 1.916 179.160 177.300 -0.094 0.000 1.146 186 P CA 2.341 65.425 63.100 -0.027 0.000 0.808 186 P CB 0.086 31.759 31.700 -0.045 0.000 0.779 187 Q N -0.663 118.995 119.800 -0.235 0.000 2.368 187 Q HA -0.135 4.205 4.340 0.001 0.000 0.210 187 Q C 0.921 176.631 176.000 -0.484 0.000 0.982 187 Q CA 1.502 57.051 55.803 -0.423 0.000 0.884 187 Q CB -0.876 27.496 28.738 -0.610 0.000 0.933 187 Q HN 0.272 nan 8.270 nan 0.000 0.460 188 F N 0.489 120.473 119.950 0.057 0.000 2.784 188 F HA 0.210 4.737 4.527 0.001 0.000 0.323 188 F C 1.814 177.603 175.800 -0.019 0.000 1.085 188 F CA 0.641 58.635 58.000 -0.010 0.000 1.196 188 F CB 0.315 39.279 39.000 -0.060 0.000 1.053 188 F HN 0.210 nan 8.300 nan 0.000 0.578 189 T N -3.791 110.844 114.554 0.136 0.000 2.975 189 T HA 0.063 4.414 4.350 0.001 0.000 0.261 189 T C 1.613 176.327 174.700 0.023 0.000 0.984 189 T CA 0.210 62.358 62.100 0.079 0.000 0.911 189 T CB 0.052 68.999 68.868 0.131 0.000 1.127 189 T HN 0.179 nan 8.240 nan 0.000 0.514 190 Q N 2.507 122.314 119.800 0.011 0.000 2.152 190 Q HA -0.124 4.216 4.340 0.001 0.000 0.206 190 Q C 1.537 177.537 176.000 -0.000 0.000 0.985 190 Q CA 1.913 57.716 55.803 0.001 0.000 0.863 190 Q CB -0.217 28.514 28.738 -0.011 0.000 0.904 190 Q HN 0.688 nan 8.270 nan 0.000 0.422 191 S N -0.620 115.070 115.700 -0.016 0.000 2.526 191 S HA 0.232 4.702 4.470 0.001 0.000 0.247 191 S C 0.246 174.802 174.600 -0.073 0.000 1.076 191 S CA -0.623 57.560 58.200 -0.028 0.000 1.105 191 S CB -0.097 63.086 63.200 -0.029 0.000 0.793 191 S HN 0.394 nan 8.310 nan 0.000 0.458 192 M N 3.847 123.398 119.600 -0.082 0.000 2.268 192 M HA 0.260 4.740 4.480 0.001 0.000 0.349 192 M C -2.446 173.684 176.300 -0.284 0.000 1.485 192 M CA -1.297 53.870 55.300 -0.222 0.000 1.094 192 M CB 0.649 33.123 32.600 -0.210 0.000 1.843 192 M HN 0.094 nan 8.290 nan 0.000 0.460 193 P HA 0.231 nan 4.420 nan 0.000 0.277 193 P C -1.909 175.053 177.300 -0.564 0.000 1.240 193 P CA 0.038 62.889 63.100 -0.416 0.000 0.798 193 P CB 0.564 31.949 31.700 -0.525 0.000 0.979 194 Y N -0.743 119.517 120.300 -0.068 0.000 2.509 194 Y HA 0.571 5.122 4.550 0.001 0.000 0.341 194 Y C 0.825 176.845 175.900 0.199 0.000 1.038 194 Y CA -0.280 57.866 58.100 0.076 0.000 1.089 194 Y CB 2.443 40.921 38.460 0.030 0.000 1.241 194 Y HN 0.261 nan 8.280 nan 0.000 0.468 195 T N 3.995 118.768 114.554 0.366 0.000 2.952 195 T HA 0.480 4.830 4.350 0.001 0.000 0.305 195 T C -2.994 171.814 174.700 0.181 0.000 1.064 195 T CA -2.318 59.934 62.100 0.254 0.000 1.008 195 T CB 1.210 70.212 68.868 0.223 0.000 1.078 195 T HN 0.194 nan 8.240 nan 0.000 0.459 196 P HA 0.175 nan 4.420 nan 0.000 0.266 196 P C -0.711 176.652 177.300 0.105 0.000 1.193 196 P CA -0.055 63.111 63.100 0.111 0.000 0.770 196 P CB 0.334 32.085 31.700 0.086 0.000 0.836 197 L N 2.708 124.002 121.223 0.118 0.000 2.290 197 L HA 0.280 4.621 4.340 0.001 0.000 0.284 197 L C -0.097 176.855 176.870 0.137 0.000 1.078 197 L CA -0.601 54.328 54.840 0.147 0.000 0.815 197 L CB 0.906 43.082 42.059 0.196 0.000 1.162 197 L HN 0.079 nan 8.230 nan 0.000 0.435 198 V N 2.263 122.266 119.914 0.148 0.000 2.398 198 V HA 0.283 4.403 4.120 0.001 0.000 0.286 198 V C 0.292 176.457 176.094 0.118 0.000 1.026 198 V CA -0.546 61.813 62.300 0.099 0.000 0.868 198 V CB 1.567 33.422 31.823 0.053 0.000 0.982 198 V HN 0.702 nan 8.190 nan 0.000 0.443 199 T N 5.865 120.462 114.554 0.071 0.000 2.743 199 T HA 0.306 4.656 4.350 0.001 0.000 0.293 199 T C -0.011 174.666 174.700 -0.039 0.000 0.945 199 T CA -0.457 61.680 62.100 0.061 0.000 1.030 199 T CB 0.352 69.262 68.868 0.071 0.000 0.912 199 T HN 0.421 nan 8.240 nan 0.000 0.483 200 K N 2.317 122.642 120.400 -0.125 0.000 2.185 200 K HA 0.380 4.700 4.320 0.001 0.000 0.269 200 K C 0.767 177.323 176.600 -0.074 0.000 0.987 200 K CA -0.540 55.615 56.287 -0.219 0.000 0.865 200 K CB 1.693 33.860 32.500 -0.555 0.000 1.090 200 K HN 0.798 nan 8.250 nan 0.000 0.450 201 G N 0.217 108.989 108.800 -0.046 0.000 2.178 201 G HA2 0.194 4.154 3.960 0.001 0.000 0.244 201 G HA3 0.194 4.154 3.960 0.001 0.000 0.244 201 G C 0.933 175.860 174.900 0.045 0.000 1.213 201 G CA 0.736 45.842 45.100 0.011 0.000 0.912 201 G HN 0.798 nan 8.290 nan 0.000 0.474 202 G N 0.372 109.251 108.800 0.132 0.000 2.143 202 G HA2 -0.107 3.853 3.960 0.001 0.000 0.248 202 G HA3 -0.107 3.853 3.960 0.001 0.000 0.248 202 G C 0.433 175.469 174.900 0.226 0.000 0.991 202 G CA 0.803 46.024 45.100 0.202 0.000 0.689 202 G HN 1.618 nan 8.290 nan 0.000 0.522 203 S N -0.079 115.689 115.700 0.114 0.000 2.557 203 S HA 0.745 5.215 4.470 0.001 0.000 0.291 203 S C -1.565 172.834 174.600 -0.335 0.000 1.116 203 S CA -0.614 57.533 58.200 -0.087 0.000 0.992 203 S CB 2.215 65.478 63.200 0.105 0.000 1.028 203 S HN 0.028 nan 8.310 nan 0.000 0.484 204 P HA 0.280 nan 4.420 nan 0.000 0.261 204 P C 0.246 177.310 177.300 -0.393 0.000 1.268 204 P CA 0.006 62.717 63.100 -0.649 0.000 0.833 204 P CB -0.009 31.125 31.700 -0.943 0.000 1.231 205 A N 0.554 123.205 122.820 -0.282 0.000 2.406 205 A HA 0.158 4.479 4.320 0.001 0.000 0.243 205 A C -0.429 176.954 177.584 -0.335 0.000 1.082 205 A CA -0.062 51.753 52.037 -0.371 0.000 0.786 205 A CB -0.608 18.139 19.000 -0.422 0.000 1.029 205 A HN 0.237 nan 8.150 nan 0.000 0.495 206 H N -0.446 118.528 119.070 -0.160 0.000 2.604 206 H HA 0.489 5.046 4.556 0.001 0.000 0.306 206 H C -1.322 173.906 175.328 -0.167 0.000 1.075 206 H CA 0.558 56.613 56.048 0.013 0.000 1.357 206 H CB 0.481 30.372 29.762 0.215 0.000 1.426 206 H HN 0.597 nan 8.280 nan 0.000 0.470 207 Y N 2.944 123.323 120.300 0.131 0.000 2.524 207 Y HA 0.382 4.933 4.550 0.001 0.000 0.344 207 Y C 0.167 176.081 175.900 0.023 0.000 1.012 207 Y CA -1.183 56.943 58.100 0.043 0.000 1.068 207 Y CB 1.715 40.182 38.460 0.011 0.000 1.249 207 Y HN 0.475 nan 8.280 nan 0.000 0.468 208 I N -1.611 119.029 120.570 0.118 0.000 3.239 208 I HA 0.720 4.891 4.170 0.001 0.000 0.314 208 I C -1.257 174.868 176.117 0.013 0.000 1.126 208 I CA -1.027 60.293 61.300 0.033 0.000 0.973 208 I CB 2.090 40.052 38.000 -0.064 0.000 1.252 208 I HN 0.511 nan 8.210 nan 0.000 0.463 209 S N 2.000 117.699 115.700 -0.001 0.000 2.552 209 S HA 0.842 5.312 4.470 0.001 0.000 0.314 209 S C -0.204 174.386 174.600 -0.016 0.000 1.099 209 S CA -0.554 57.646 58.200 -0.000 0.000 1.070 209 S CB 1.403 64.613 63.200 0.016 0.000 0.998 209 S HN 0.969 nan 8.310 nan 0.000 0.474 210 A N 2.341 125.145 122.820 -0.026 0.000 2.325 210 A HA 0.802 5.122 4.320 0.001 0.000 0.333 210 A C 0.418 177.999 177.584 -0.005 0.000 1.155 210 A CA -0.689 51.334 52.037 -0.022 0.000 0.814 210 A CB 0.997 19.968 19.000 -0.049 0.000 1.206 210 A HN 0.680 nan 8.150 nan 0.000 0.482 211 R N -0.088 120.417 120.500 0.008 0.000 2.419 211 R HA 0.243 4.584 4.340 0.001 0.000 0.235 211 R C -0.285 176.022 176.300 0.012 0.000 0.899 211 R CA 0.919 57.027 56.100 0.013 0.000 1.048 211 R CB 0.630 30.944 30.300 0.023 0.000 1.182 211 R HN 0.898 nan 8.270 nan 0.000 0.544 212 S N -0.850 114.858 115.700 0.013 0.000 2.543 212 S HA 0.526 4.996 4.470 0.001 0.000 0.274 212 S C -1.069 173.540 174.600 0.014 0.000 1.149 212 S CA -1.055 57.153 58.200 0.014 0.000 0.866 212 S CB 1.546 64.760 63.200 0.024 0.000 1.111 212 S HN -0.089 nan 8.310 nan 0.000 0.457 213 I N 1.913 122.486 120.570 0.005 0.000 2.474 213 I HA 0.642 4.813 4.170 0.001 0.000 0.294 213 I C -0.724 175.405 176.117 0.019 0.000 1.005 213 I CA -0.980 60.324 61.300 0.007 0.000 1.113 213 I CB 1.544 39.523 38.000 -0.034 0.000 1.289 213 I HN 0.606 nan 8.210 nan 0.000 0.436 214 V N 6.135 126.075 119.914 0.044 0.000 2.588 214 V HA 0.488 4.608 4.120 0.001 0.000 0.304 214 V C -0.201 175.934 176.094 0.069 0.000 1.042 214 V CA -0.691 61.638 62.300 0.048 0.000 0.877 214 V CB 2.651 34.507 31.823 0.054 0.000 0.996 214 V HN 0.468 nan 8.190 nan 0.000 0.425 215 V N 4.496 124.444 119.914 0.057 0.000 2.407 215 V HA 0.809 4.930 4.120 0.001 0.000 0.291 215 V C 0.971 177.085 176.094 0.034 0.000 1.018 215 V CA 0.563 62.909 62.300 0.076 0.000 0.842 215 V CB 0.644 32.523 31.823 0.093 0.000 0.996 215 V HN 1.247 nan 8.190 nan 0.000 0.426 216 G N 5.029 113.846 108.800 0.028 0.000 2.629 216 G HA2 -0.348 3.613 3.960 0.001 0.000 0.313 216 G HA3 -0.348 3.613 3.960 0.001 0.000 0.313 216 G C 0.484 175.394 174.900 0.016 0.000 1.217 216 G CA 1.100 46.203 45.100 0.006 0.000 0.994 216 G HN 0.672 nan 8.290 nan 0.000 0.549 217 D N 0.231 120.635 120.400 0.006 0.000 2.338 217 D HA 0.241 4.881 4.640 0.001 0.000 0.208 217 D C 1.710 178.016 176.300 0.011 0.000 0.997 217 D CA 1.346 55.352 54.000 0.010 0.000 0.880 217 D CB 0.098 40.901 40.800 0.004 0.000 0.980 217 D HN 0.628 nan 8.370 nan 0.000 0.509 218 T N 0.465 115.023 114.554 0.006 0.000 2.761 218 T HA 0.018 4.369 4.350 0.001 0.000 0.287 218 T C 0.187 174.893 174.700 0.011 0.000 0.931 218 T CA -0.629 61.475 62.100 0.005 0.000 1.164 218 T CB 0.261 69.128 68.868 -0.001 0.000 0.876 218 T HN -0.022 nan 8.240 nan 0.000 0.534 219 R N 4.198 124.704 120.500 0.010 0.000 2.389 219 R HA 0.418 4.759 4.340 0.001 0.000 0.295 219 R C -0.645 175.657 176.300 0.003 0.000 1.075 219 R CA -0.693 55.414 56.100 0.011 0.000 1.005 219 R CB 0.561 30.868 30.300 0.013 0.000 0.987 219 R HN 0.573 nan 8.270 nan 0.000 0.452 220 V N 6.989 126.901 119.914 -0.003 0.000 2.530 220 V HA 0.237 4.357 4.120 0.001 0.000 0.282 220 V C -1.743 174.342 176.094 -0.014 0.000 1.048 220 V CA -1.302 60.988 62.300 -0.016 0.000 0.997 220 V CB 1.193 32.995 31.823 -0.035 0.000 0.987 220 V HN 0.865 nan 8.190 nan 0.000 0.477 221 P HA 0.344 nan 4.420 nan 0.000 0.284 221 P C -0.789 176.504 177.300 -0.012 0.000 1.432 221 P CA -0.106 62.988 63.100 -0.010 0.000 0.929 221 P CB 1.072 32.768 31.700 -0.007 0.000 1.158 222 V N 1.690 121.597 119.914 -0.011 0.000 2.815 222 V HA 0.684 4.804 4.120 0.001 0.000 0.314 222 V C -2.544 173.547 176.094 -0.004 0.000 1.064 222 V CA -2.992 59.303 62.300 -0.009 0.000 0.952 222 V CB 0.804 32.619 31.823 -0.013 0.000 1.020 222 V HN 0.161 nan 8.190 nan 0.000 0.439 223 P HA 0.018 nan 4.420 nan 0.000 0.261 223 P C -0.082 177.217 177.300 -0.000 0.000 1.165 223 P CA 0.402 63.502 63.100 -0.000 0.000 0.759 223 P CB 0.219 31.920 31.700 0.001 0.000 0.772 224 E N 2.530 122.730 120.200 0.001 0.000 2.463 224 E HA 0.113 4.464 4.350 0.001 0.000 0.248 224 E C 1.097 177.697 176.600 0.001 0.000 1.106 224 E CA 1.077 57.478 56.400 0.001 0.000 0.946 224 E CB -0.624 29.078 29.700 0.003 0.000 0.971 224 E HN 0.795 nan 8.360 nan 0.000 0.478 225 G N 3.368 112.168 108.800 -0.000 0.000 2.140 225 G HA2 -0.261 3.699 3.960 0.001 0.000 0.211 225 G HA3 -0.261 3.699 3.960 0.001 0.000 0.211 225 G C 0.678 175.576 174.900 -0.003 0.000 1.013 225 G CA 0.248 45.347 45.100 -0.002 0.000 0.705 225 G HN 0.632 nan 8.290 nan 0.000 0.508 226 A N -0.703 122.116 122.820 -0.003 0.000 2.147 226 A HA 0.617 4.937 4.320 0.001 0.000 0.211 226 A C 1.215 178.796 177.584 -0.004 0.000 1.160 226 A CA 0.691 52.727 52.037 -0.002 0.000 0.781 226 A CB 0.122 19.122 19.000 -0.001 0.000 0.842 226 A HN 0.776 nan 8.150 nan 0.000 0.475 227 L N 1.076 122.296 121.223 -0.005 0.000 2.353 227 L HA 0.576 4.916 4.340 0.001 0.000 0.269 227 L C 0.390 177.257 176.870 -0.005 0.000 1.085 227 L CA -0.530 54.306 54.840 -0.007 0.000 0.938 227 L CB 0.708 42.761 42.059 -0.009 0.000 1.312 227 L HN 0.272 nan 8.230 nan 0.000 0.429 228 A N 1.696 124.512 122.820 -0.007 0.000 2.452 228 A HA 0.736 5.056 4.320 0.001 0.000 0.285 228 A C 0.184 177.763 177.584 -0.009 0.000 1.209 228 A CA -0.477 51.556 52.037 -0.008 0.000 0.940 228 A CB 0.659 19.651 19.000 -0.014 0.000 1.440 228 A HN 0.407 nan 8.150 nan 0.000 0.480 229 T N 0.850 115.396 114.554 -0.012 0.000 2.853 229 T HA 0.426 4.777 4.350 0.001 0.000 0.298 229 T C 1.201 175.884 174.700 -0.028 0.000 0.978 229 T CA 1.397 63.491 62.100 -0.011 0.000 1.152 229 T CB 0.195 69.056 68.868 -0.010 0.000 0.914 229 T HN 2.026 nan 8.240 nan 0.000 0.539 230 G N 2.814 111.611 108.800 -0.005 0.000 2.225 230 G HA2 -0.235 3.726 3.960 0.001 0.000 0.267 230 G HA3 -0.235 3.726 3.960 0.001 0.000 0.267 230 G C 0.945 175.864 174.900 0.031 0.000 1.024 230 G CA 0.105 45.209 45.100 0.008 0.000 0.784 230 G HN 1.116 nan 8.290 nan 0.000 0.507 231 G N -1.382 107.436 108.800 0.030 0.000 2.920 231 G HA2 0.400 4.360 3.960 0.001 0.000 0.208 231 G HA3 0.400 4.360 3.960 0.001 0.000 0.208 231 G C 0.414 175.351 174.900 0.062 0.000 1.159 231 G CA 0.798 45.922 45.100 0.039 0.000 0.784 231 G HN 0.954 nan 8.290 nan 0.000 0.535 232 V N 1.225 121.179 119.914 0.068 0.000 2.409 232 V HA 0.509 4.630 4.120 0.001 0.000 0.291 232 V C -0.166 175.932 176.094 0.007 0.000 1.020 232 V CA -0.708 61.585 62.300 -0.011 0.000 0.848 232 V CB 1.696 33.440 31.823 -0.133 0.000 0.990 232 V HN 0.277 nan 8.190 nan 0.000 0.430 233 M N 5.320 124.870 119.600 -0.084 0.000 2.537 233 M HA 0.664 5.144 4.480 0.001 0.000 0.324 233 M C -1.541 174.620 176.300 -0.232 0.000 1.187 233 M CA -0.600 54.529 55.300 -0.285 0.000 0.993 233 M CB 1.694 34.078 32.600 -0.360 0.000 1.666 233 M HN 0.518 nan 8.290 nan 0.000 0.461 234 L N 3.101 124.204 121.223 -0.200 0.000 2.307 234 L HA 0.634 4.974 4.340 0.001 0.000 0.284 234 L C -0.591 176.234 176.870 -0.075 0.000 1.023 234 L CA -0.539 54.234 54.840 -0.112 0.000 0.810 234 L CB 1.829 43.904 42.059 0.026 0.000 1.231 234 L HN 0.824 nan 8.230 nan 0.000 0.423 235 S N -1.027 114.631 115.700 -0.070 0.000 2.564 235 S HA 0.520 4.990 4.470 0.001 0.000 0.274 235 S C 0.010 174.596 174.600 -0.023 0.000 1.124 235 S CA -0.528 57.642 58.200 -0.050 0.000 0.869 235 S CB 1.873 65.027 63.200 -0.076 0.000 1.105 235 S HN 0.640 nan 8.310 nan 0.000 0.472 236 T N -1.503 113.051 114.554 0.000 0.000 3.248 236 T HA 0.346 4.697 4.350 0.001 0.000 0.271 236 T C 0.825 175.558 174.700 0.055 0.000 1.005 236 T CA -0.584 61.556 62.100 0.066 0.000 0.902 236 T CB -0.232 68.686 68.868 0.083 0.000 1.102 236 T HN 0.593 nan 8.240 nan 0.000 0.548 237 R N 0.304 120.792 120.500 -0.020 0.000 2.112 237 R HA 0.404 4.744 4.340 0.001 0.000 0.216 237 R C 0.256 176.496 176.300 -0.100 0.000 1.080 237 R CA 0.480 56.546 56.100 -0.056 0.000 0.996 237 R CB 0.079 30.338 30.300 -0.067 0.000 0.902 237 R HN 0.349 nan 8.270 nan 0.000 0.449 238 L N 0.723 121.846 121.223 -0.166 0.000 2.354 238 L HA 0.360 4.700 4.340 0.001 0.000 0.269 238 L C -1.990 174.762 176.870 -0.196 0.000 1.005 238 L CA -2.261 52.393 54.840 -0.311 0.000 0.819 238 L CB 2.275 43.891 42.059 -0.738 0.000 1.311 238 L HN -0.205 nan 8.230 nan 0.000 0.423 239 P HA -0.020 nan 4.420 nan 0.000 0.231 239 P C -0.689 176.684 177.300 0.122 0.000 1.168 239 P CA 0.852 64.003 63.100 0.085 0.000 0.779 239 P CB -0.035 31.771 31.700 0.177 0.000 0.844 240 Y N -2.517 117.834 120.300 0.086 0.000 2.596 240 Y HA 0.614 5.164 4.550 0.001 0.000 0.326 240 Y C -0.073 175.847 175.900 0.034 0.000 1.167 240 Y CA -2.042 56.101 58.100 0.073 0.000 1.246 240 Y CB 0.175 38.733 38.460 0.163 0.000 1.347 240 Y HN -0.458 nan 8.280 nan 0.000 0.515 241 V N 3.097 123.156 119.914 0.241 0.000 2.498 241 V HA 0.245 4.366 4.120 0.001 0.000 0.279 241 V C 0.036 176.309 176.094 0.298 0.000 1.048 241 V CA -0.674 61.742 62.300 0.193 0.000 0.967 241 V CB 0.834 32.814 31.823 0.261 0.000 0.988 241 V HN 0.641 nan 8.190 nan 0.000 0.473 242 L N 5.898 127.219 121.223 0.163 0.000 2.322 242 L HA 0.625 4.965 4.340 0.001 0.000 0.279 242 L C -0.570 176.379 176.870 0.133 0.000 1.036 242 L CA -0.337 54.597 54.840 0.156 0.000 0.807 242 L CB 1.491 43.589 42.059 0.064 0.000 1.226 242 L HN 0.439 nan 8.230 nan 0.000 0.433 243 L N 3.251 124.559 121.223 0.141 0.000 2.436 243 L HA 0.491 4.832 4.340 0.001 0.000 0.268 243 L C -0.270 176.654 176.870 0.091 0.000 0.974 243 L CA -0.656 54.264 54.840 0.133 0.000 0.826 243 L CB 2.500 44.696 42.059 0.229 0.000 1.291 243 L HN 0.556 nan 8.230 nan 0.000 0.406 244 R N 3.129 123.668 120.500 0.065 0.000 2.537 244 R HA 0.125 4.466 4.340 0.001 0.000 0.280 244 R C -1.594 174.751 176.300 0.074 0.000 1.058 244 R CA -1.179 54.948 56.100 0.046 0.000 1.057 244 R CB 1.044 31.363 30.300 0.031 0.000 0.973 244 R HN 0.269 nan 8.270 nan 0.000 0.438 245 P HA -0.233 nan 4.420 nan 0.000 0.217 245 P C 0.355 177.713 177.300 0.098 0.000 1.151 245 P CA 1.469 64.622 63.100 0.088 0.000 0.849 245 P CB 0.058 31.778 31.700 0.035 0.000 0.787 246 D N -0.978 119.455 120.400 0.056 0.000 2.218 246 D HA -0.099 4.541 4.640 0.001 0.000 0.204 246 D C 1.617 177.937 176.300 0.032 0.000 0.976 246 D CA 1.124 55.147 54.000 0.038 0.000 0.853 246 D CB -0.830 39.983 40.800 0.021 0.000 0.939 246 D HN 0.102 nan 8.370 nan 0.000 0.481 247 V N -0.264 119.675 119.914 0.042 0.000 2.685 247 V HA -0.104 4.016 4.120 0.001 0.000 0.244 247 V C 2.176 178.276 176.094 0.010 0.000 1.054 247 V CA 0.485 62.792 62.300 0.012 0.000 1.076 247 V CB -0.760 31.066 31.823 0.005 0.000 0.725 247 V HN 0.081 nan 8.190 nan 0.000 0.467 248 Y N 1.613 121.887 120.300 -0.043 0.000 2.097 248 Y HA -0.270 4.281 4.550 0.001 0.000 0.282 248 Y C 2.757 178.634 175.900 -0.039 0.000 1.152 248 Y CA 2.304 60.378 58.100 -0.043 0.000 1.136 248 Y CB -0.195 38.262 38.460 -0.005 0.000 0.975 248 Y HN 0.031 nan 8.280 nan 0.000 0.498 249 R N -0.031 120.489 120.500 0.033 0.000 2.070 249 R HA -0.125 4.215 4.340 0.001 0.000 0.233 249 R C -0.610 175.619 176.300 -0.117 0.000 1.137 249 R CA 1.932 58.004 56.100 -0.046 0.000 0.945 249 R CB -1.283 29.065 30.300 0.080 0.000 0.845 249 R HN 0.337 nan 8.270 nan 0.000 0.430 250 P HA -0.171 nan 4.420 nan 0.000 0.216 250 P C 1.297 178.526 177.300 -0.119 0.000 1.153 250 P CA 0.988 64.044 63.100 -0.074 0.000 0.848 250 P CB -0.113 31.559 31.700 -0.046 0.000 0.787 251 L N -1.228 119.880 121.223 -0.192 0.000 2.056 251 L HA -0.027 4.313 4.340 0.001 0.000 0.207 251 L C 2.410 179.133 176.870 -0.245 0.000 1.078 251 L CA 2.002 56.688 54.840 -0.255 0.000 0.749 251 L CB -1.513 40.293 42.059 -0.421 0.000 0.901 251 L HN -0.152 nan 8.230 nan 0.000 0.433 252 M N -0.376 119.008 119.600 -0.360 0.000 2.175 252 M HA -0.128 4.353 4.480 0.001 0.000 0.264 252 M C 1.691 177.959 176.300 -0.054 0.000 1.063 252 M CA 1.489 56.635 55.300 -0.257 0.000 1.119 252 M CB -0.569 31.700 32.600 -0.552 0.000 1.377 252 M HN 0.275 nan 8.290 nan 0.000 0.415 253 D N 0.308 120.660 120.400 -0.081 0.000 2.103 253 D HA -0.152 4.489 4.640 0.001 0.000 0.190 253 D C 1.960 178.277 176.300 0.027 0.000 0.997 253 D CA 2.047 56.040 54.000 -0.011 0.000 0.833 253 D CB -0.582 40.205 40.800 -0.021 0.000 0.961 253 D HN 0.472 nan 8.370 nan 0.000 0.447 254 A N -0.166 122.664 122.820 0.016 0.000 1.978 254 A HA -0.164 4.157 4.320 0.001 0.000 0.220 254 A C 2.094 179.720 177.584 0.069 0.000 1.170 254 A CA 1.027 53.081 52.037 0.029 0.000 0.636 254 A CB -0.824 18.183 19.000 0.012 0.000 0.810 254 A HN 0.268 nan 8.150 nan 0.000 0.448 255 F N 1.513 121.445 119.950 -0.030 0.000 2.118 255 F HA -0.123 4.404 4.527 0.001 0.000 0.293 255 F C 2.782 178.606 175.800 0.039 0.000 1.102 255 F CA 2.290 60.302 58.000 0.019 0.000 1.247 255 F CB -0.544 38.492 39.000 0.059 0.000 1.017 255 F HN 0.318 nan 8.300 nan 0.000 0.475 256 T N -1.104 113.612 114.554 0.270 0.000 2.720 256 T HA -0.184 4.166 4.350 0.001 0.000 0.268 256 T C 1.934 176.662 174.700 0.046 0.000 1.037 256 T CA 1.211 63.424 62.100 0.187 0.000 1.144 256 T CB -0.430 68.572 68.868 0.224 0.000 0.864 256 T HN 0.092 nan 8.240 nan 0.000 0.444 257 K N 2.357 122.772 120.400 0.026 0.000 1.991 257 K HA 0.129 4.450 4.320 0.001 0.000 0.212 257 K C 2.796 179.364 176.600 -0.055 0.000 1.049 257 K CA 1.647 57.930 56.287 -0.007 0.000 0.932 257 K CB -1.411 31.088 32.500 -0.002 0.000 0.717 257 K HN 0.511 nan 8.250 nan 0.000 0.441 258 A N 1.540 124.305 122.820 -0.092 0.000 1.978 258 A HA -0.150 4.170 4.320 0.001 0.000 0.220 258 A C 2.208 179.684 177.584 -0.181 0.000 1.170 258 A CA 1.331 53.290 52.037 -0.129 0.000 0.636 258 A CB -0.527 18.384 19.000 -0.148 0.000 0.810 258 A HN 0.222 nan 8.150 nan 0.000 0.448 259 L N -0.333 120.738 121.223 -0.252 0.000 2.056 259 L HA 0.004 4.344 4.340 0.001 0.000 0.207 259 L C 2.636 179.414 176.870 -0.153 0.000 1.078 259 L CA 2.171 56.847 54.840 -0.273 0.000 0.749 259 L CB -0.984 40.852 42.059 -0.373 0.000 0.901 259 L HN 0.323 nan 8.230 nan 0.000 0.433 260 A N -0.642 122.129 122.820 -0.083 0.000 1.969 260 A HA 0.040 4.361 4.320 0.001 0.000 0.218 260 A C 2.156 179.715 177.584 -0.041 0.000 1.169 260 A CA 1.340 53.356 52.037 -0.035 0.000 0.635 260 A CB -0.913 18.090 19.000 0.004 0.000 0.810 260 A HN 0.519 nan 8.150 nan 0.000 0.445 261 A N -1.089 121.700 122.820 -0.051 0.000 2.302 261 A HA 0.302 4.623 4.320 0.001 0.000 0.219 261 A C 0.995 178.549 177.584 -0.049 0.000 1.243 261 A CA -0.141 51.870 52.037 -0.042 0.000 0.856 261 A CB -0.208 18.769 19.000 -0.038 0.000 0.893 261 A HN 0.650 nan 8.150 nan 0.000 0.491 267 A N 1.282 124.095 122.820 -0.012 0.000 2.332 267 A HA 0.795 5.115 4.320 0.001 0.000 0.258 267 A C -1.473 176.103 177.584 -0.014 0.000 1.087 267 A CA -0.995 51.034 52.037 -0.013 0.000 0.802 267 A CB -0.014 18.976 19.000 -0.018 0.000 1.042 267 A HN 0.243 nan 8.150 nan 0.000 0.489 268 P HA 0.217 nan 4.420 nan 0.000 0.266 268 P C -0.543 176.747 177.300 -0.018 0.000 1.215 268 P CA -0.007 63.086 63.100 -0.011 0.000 0.763 268 P CB 0.312 32.007 31.700 -0.008 0.000 0.806 269 V N 3.231 123.138 119.914 -0.012 0.000 2.614 269 V HA 0.249 4.370 4.120 0.001 0.000 0.291 269 V C 1.097 177.190 176.094 -0.001 0.000 1.049 269 V CA -0.527 61.765 62.300 -0.013 0.000 1.038 269 V CB 0.689 32.511 31.823 -0.002 0.000 0.980 269 V HN 0.765 nan 8.190 nan 0.000 0.481 270 A N 6.380 129.192 122.820 -0.014 0.000 2.488 270 A HA 0.336 4.657 4.320 0.001 0.000 0.249 270 A C 0.462 178.142 177.584 0.161 0.000 1.083 270 A CA -0.111 51.935 52.037 0.015 0.000 0.768 270 A CB -0.073 18.824 19.000 -0.170 0.000 1.017 270 A HN 0.793 nan 8.150 nan 0.000 0.496 271 R N 2.026 122.634 120.500 0.180 0.000 2.229 271 R HA 0.438 4.778 4.340 0.001 0.000 0.332 271 R C 0.060 176.444 176.300 0.139 0.000 0.989 271 R CA -0.180 56.002 56.100 0.137 0.000 0.842 271 R CB 1.616 31.952 30.300 0.060 0.000 1.119 271 R HN 0.841 nan 8.270 nan 0.000 0.456 272 A N 3.562 126.372 122.820 -0.016 0.000 2.488 272 A HA 0.301 4.621 4.320 0.001 0.000 0.249 272 A C 0.608 178.093 177.584 -0.165 0.000 1.083 272 A CA -0.453 51.398 52.037 -0.309 0.000 0.768 272 A CB 0.304 19.108 19.000 -0.326 0.000 1.017 272 A HN 0.582 nan 8.150 nan 0.000 0.496 273 V N 1.131 120.937 119.914 -0.179 0.000 3.345 273 V HA 0.718 4.838 4.120 0.001 0.000 0.308 273 V C 0.370 176.407 176.094 -0.095 0.000 1.168 273 V CA -0.906 61.336 62.300 -0.098 0.000 1.024 273 V CB 1.003 32.788 31.823 -0.063 0.000 1.211 273 V HN 0.709 nan 8.190 nan 0.000 0.461 274 V N 1.633 121.514 119.914 -0.056 0.000 2.540 274 V HA 0.424 4.545 4.120 0.001 0.000 0.297 274 V C 1.195 177.267 176.094 -0.037 0.000 1.024 274 V CA 0.251 62.526 62.300 -0.041 0.000 1.105 274 V CB -0.308 31.502 31.823 -0.022 0.000 0.938 274 V HN 1.371 nan 8.190 nan 0.000 0.482 275 A N 5.372 128.173 122.820 -0.031 0.000 2.603 275 A HA 0.323 4.644 4.320 0.001 0.000 0.235 275 A C 0.017 177.618 177.584 0.027 0.000 1.035 275 A CA 0.177 52.214 52.037 -0.000 0.000 0.755 275 A CB -0.083 18.925 19.000 0.013 0.000 0.954 275 A HN 0.816 nan 8.150 nan 0.000 0.511 276 V N 2.208 122.167 119.914 0.075 0.000 2.513 276 V HA 0.567 4.688 4.120 0.001 0.000 0.299 276 V C 0.845 177.033 176.094 0.155 0.000 1.035 276 V CA -0.329 62.034 62.300 0.105 0.000 0.889 276 V CB 1.381 33.269 31.823 0.108 0.000 0.988 276 V HN 1.270 nan 8.190 nan 0.000 0.440 277 A N 6.190 129.048 122.820 0.064 0.000 2.520 277 A HA 0.457 4.778 4.320 0.001 0.000 0.245 277 A C -1.244 176.289 177.584 -0.085 0.000 1.072 277 A CA -0.587 51.436 52.037 -0.023 0.000 0.761 277 A CB -0.073 18.913 19.000 -0.024 0.000 1.004 277 A HN 0.769 nan 8.150 nan 0.000 0.499 278 P HA 0.232 nan 4.420 nan 0.000 0.263 278 P C -0.525 176.469 177.300 -0.510 0.000 1.448 278 P CA -0.155 62.698 63.100 -0.411 0.000 0.983 278 P CB -0.132 31.318 31.700 -0.417 0.000 1.481 279 F N 0.035 119.870 119.950 -0.192 0.000 2.406 279 F HA 0.448 4.976 4.527 0.001 0.000 0.327 279 F C 2.090 177.839 175.800 -0.085 0.000 1.153 279 F CA 0.232 58.124 58.000 -0.178 0.000 1.218 279 F CB 0.280 39.184 39.000 -0.160 0.000 1.215 279 F HN -0.142 nan 8.300 nan 0.000 0.570 280 G N 0.200 109.098 108.800 0.164 0.000 2.608 280 G HA2 0.270 4.230 3.960 0.001 0.000 0.210 280 G HA3 0.270 4.230 3.960 0.001 0.000 0.210 280 G C -0.354 174.615 174.900 0.114 0.000 1.139 280 G CA 0.195 45.378 45.100 0.139 0.000 0.812 280 G HN 0.346 nan 8.290 nan 0.000 0.529 281 V N 0.520 120.502 119.914 0.113 0.000 2.569 281 V HA 0.491 4.611 4.120 0.001 0.000 0.301 281 V C -0.754 175.301 176.094 -0.065 0.000 1.044 281 V CA -0.990 61.309 62.300 -0.001 0.000 0.874 281 V CB 1.317 33.178 31.823 0.065 0.000 1.002 281 V HN 0.199 nan 8.190 nan 0.000 0.424 282 c N 3.720 122.180 118.600 -0.234 0.000 2.848 282 c HA 0.895 5.465 4.570 0.001 0.000 0.317 282 c C -1.051 172.774 174.090 -0.442 0.000 1.260 282 c CA -1.019 55.182 56.329 -0.214 0.000 1.656 282 c CB 1.940 44.373 42.510 -0.128 0.000 2.174 282 c HN 0.803 nan 8.230 nan 0.000 0.479 283 Y N -0.344 119.904 120.300 -0.086 0.000 2.544 283 Y HA 0.345 4.896 4.550 0.001 0.000 0.342 283 Y C -0.340 175.493 175.900 -0.111 0.000 1.062 283 Y CA -0.590 57.457 58.100 -0.090 0.000 1.023 283 Y CB 0.956 39.350 38.460 -0.110 0.000 1.308 283 Y HN 0.640 nan 8.280 nan 0.000 0.457 284 D N 1.060 121.504 120.400 0.072 0.000 2.358 284 D HA 0.042 4.683 4.640 0.001 0.000 0.258 284 D C 1.150 177.437 176.300 -0.021 0.000 1.223 284 D CA 0.468 54.477 54.000 0.015 0.000 0.886 284 D CB 1.228 42.039 40.800 0.018 0.000 1.120 284 D HN 0.715 nan 8.370 nan 0.000 0.482 285 T N 1.377 115.894 114.554 -0.062 0.000 2.962 285 T HA -0.135 4.215 4.350 0.001 0.000 0.270 285 T C 1.569 176.250 174.700 -0.031 0.000 1.088 285 T CA 0.780 62.812 62.100 -0.112 0.000 1.127 285 T CB -0.105 68.731 68.868 -0.053 0.000 0.883 285 T HN 0.387 nan 8.240 nan 0.000 0.493 286 K N 1.311 121.709 120.400 -0.005 0.000 2.281 286 K HA -0.067 4.254 4.320 0.001 0.000 0.203 286 K C 2.243 178.844 176.600 0.000 0.000 1.046 286 K CA 1.649 57.941 56.287 0.008 0.000 0.938 286 K CB -0.262 32.244 32.500 0.010 0.000 0.737 286 K HN 0.696 nan 8.250 nan 0.000 0.458 287 T N -2.099 112.447 114.554 -0.013 0.000 3.054 287 T HA 0.240 4.590 4.350 0.001 0.000 0.255 287 T C 0.407 175.077 174.700 -0.049 0.000 1.035 287 T CA -0.351 61.739 62.100 -0.016 0.000 0.941 287 T CB 0.044 68.916 68.868 0.006 0.000 1.026 287 T HN -0.099 nan 8.240 nan 0.000 0.533 288 L N 2.019 123.198 121.223 -0.074 0.000 2.295 288 L HA 0.692 5.033 4.340 0.001 0.000 0.285 288 L C 1.102 177.978 176.870 0.011 0.000 1.035 288 L CA -1.224 53.559 54.840 -0.094 0.000 0.806 288 L CB 1.343 43.251 42.059 -0.252 0.000 1.214 288 L HN 0.260 nan 8.230 nan 0.000 0.426 289 G N 2.046 110.855 108.800 0.015 0.000 2.667 289 G HA2 0.191 4.151 3.960 0.001 0.000 0.250 289 G HA3 0.191 4.151 3.960 0.001 0.000 0.250 289 G C -0.587 174.378 174.900 0.108 0.000 1.212 289 G CA -0.403 44.723 45.100 0.044 0.000 0.874 289 G HN 0.751 nan 8.290 nan 0.000 0.561 290 N N 0.028 118.772 118.700 0.073 0.000 2.399 290 N HA 0.276 5.017 4.740 0.001 0.000 0.284 290 N C -0.247 175.271 175.510 0.013 0.000 1.025 290 N CA -0.712 52.369 53.050 0.052 0.000 0.885 290 N CB 1.647 40.150 38.487 0.028 0.000 1.339 290 N HN 0.785 nan 8.380 nan 0.000 0.487 291 N N 1.326 120.027 118.700 0.001 0.000 2.906 291 N HA 0.322 5.063 4.740 0.001 0.000 0.327 291 N C 0.042 175.535 175.510 -0.027 0.000 1.344 291 N CA -0.731 52.309 53.050 -0.017 0.000 0.823 291 N CB 0.956 39.430 38.487 -0.021 0.000 1.351 291 N HN 0.037 nan 8.380 nan 0.000 0.604 292 L N 0.073 121.268 121.223 -0.047 0.000 2.265 292 L HA 0.042 4.383 4.340 0.001 0.000 0.215 292 L C 2.299 179.161 176.870 -0.012 0.000 1.117 292 L CA 1.567 56.383 54.840 -0.040 0.000 0.782 292 L CB -1.094 40.844 42.059 -0.202 0.000 0.914 292 L HN 0.924 nan 8.230 nan 0.000 0.441 293 G N -2.090 106.694 108.800 -0.027 0.000 2.985 293 G HA2 0.435 4.396 3.960 0.001 0.000 0.209 293 G HA3 0.435 4.396 3.960 0.001 0.000 0.209 293 G C 0.828 175.719 174.900 -0.016 0.000 1.165 293 G CA 0.590 45.682 45.100 -0.012 0.000 0.776 293 G HN 0.641 nan 8.290 nan 0.000 0.541 294 G N -0.826 107.949 108.800 -0.043 0.000 2.341 294 G HA2 -0.095 3.865 3.960 0.001 0.000 0.196 294 G HA3 -0.095 3.865 3.960 0.001 0.000 0.196 294 G C -0.700 174.159 174.900 -0.068 0.000 1.231 294 G CA -0.862 44.174 45.100 -0.107 0.000 1.155 294 G HN 0.114 nan 8.290 nan 0.000 0.529 295 Y N 1.372 121.674 120.300 0.003 0.000 2.497 295 Y HA 0.432 4.982 4.550 0.001 0.000 0.334 295 Y C 1.394 177.280 175.900 -0.022 0.000 1.199 295 Y CA 0.540 58.633 58.100 -0.012 0.000 1.425 295 Y CB 0.928 39.380 38.460 -0.014 0.000 1.291 295 Y HN 0.992 nan 8.280 nan 0.000 0.562 296 A N 4.338 127.242 122.820 0.140 0.000 2.981 296 A HA 0.481 4.801 4.320 0.001 0.000 0.280 296 A C -0.230 177.337 177.584 -0.028 0.000 1.743 296 A CA -0.197 51.860 52.037 0.034 0.000 1.430 296 A CB -1.513 17.492 19.000 0.009 0.000 1.085 296 A HN 0.598 nan 8.150 nan 0.000 0.597 297 V N -0.904 118.999 119.914 -0.019 0.000 3.074 297 V HA 0.782 4.903 4.120 0.001 0.000 0.314 297 V C -3.058 172.964 176.094 -0.120 0.000 1.117 297 V CA -2.893 59.331 62.300 -0.127 0.000 1.014 297 V CB 1.538 33.342 31.823 -0.032 0.000 1.057 297 V HN 0.370 nan 8.190 nan 0.000 0.438 298 P HA 0.176 nan 4.420 nan 0.000 0.265 298 P C -0.567 176.758 177.300 0.041 0.000 1.193 298 P CA 0.184 63.192 63.100 -0.152 0.000 0.765 298 P CB 0.095 31.622 31.700 -0.288 0.000 0.823 299 N N 1.291 120.030 118.700 0.065 0.000 2.453 299 N HA 0.158 4.899 4.740 0.001 0.000 0.253 299 N C -0.490 175.131 175.510 0.183 0.000 1.252 299 N CA 0.140 53.268 53.050 0.130 0.000 0.917 299 N CB 0.345 38.885 38.487 0.088 0.000 1.117 299 N HN 0.076 nan 8.380 nan 0.000 0.442 300 V N 1.452 121.510 119.914 0.240 0.000 2.656 300 V HA 0.284 4.405 4.120 0.001 0.000 0.307 300 V C -0.461 175.771 176.094 0.229 0.000 1.051 300 V CA -0.718 61.736 62.300 0.257 0.000 0.893 300 V CB 1.880 33.928 31.823 0.376 0.000 0.999 300 V HN 0.481 nan 8.190 nan 0.000 0.426 301 Q N 2.902 122.809 119.800 0.179 0.000 2.320 301 Q HA 0.586 4.927 4.340 0.001 0.000 0.268 301 Q C -1.275 174.812 176.000 0.145 0.000 1.023 301 Q CA -0.301 55.605 55.803 0.172 0.000 0.744 301 Q CB 1.725 30.541 28.738 0.130 0.000 1.246 301 Q HN 0.664 nan 8.270 nan 0.000 0.462 302 L N 2.354 123.681 121.223 0.174 0.000 2.283 302 L HA 0.501 4.841 4.340 0.001 0.000 0.287 302 L C 0.573 177.509 176.870 0.110 0.000 1.073 302 L CA 0.293 55.193 54.840 0.099 0.000 0.822 302 L CB 1.100 43.179 42.059 0.032 0.000 1.186 302 L HN 0.694 nan 8.230 nan 0.000 0.436 303 G N 6.322 115.168 108.800 0.077 0.000 2.444 303 G HA2 0.393 4.353 3.960 0.001 0.000 0.303 303 G HA3 0.393 4.353 3.960 0.001 0.000 0.303 303 G C -0.179 174.761 174.900 0.067 0.000 1.032 303 G CA -0.440 44.711 45.100 0.086 0.000 1.137 303 G HN 0.465 nan 8.290 nan 0.000 0.430 304 L N 2.160 123.437 121.223 0.090 0.000 2.357 304 L HA 0.245 4.585 4.340 0.001 0.000 0.273 304 L C 0.076 177.006 176.870 0.100 0.000 1.080 304 L CA -1.178 53.698 54.840 0.059 0.000 0.803 304 L CB 0.995 43.059 42.059 0.008 0.000 1.174 304 L HN 0.326 nan 8.230 nan 0.000 0.443 305 D N 1.817 122.262 120.400 0.076 0.000 2.571 305 D HA 0.169 4.810 4.640 0.001 0.000 0.231 305 D C 0.992 177.371 176.300 0.132 0.000 1.133 305 D CA 1.685 55.737 54.000 0.087 0.000 0.862 305 D CB 0.892 41.736 40.800 0.072 0.000 1.179 305 D HN 0.835 nan 8.370 nan 0.000 0.474 306 G N 1.006 109.878 108.800 0.120 0.000 2.184 306 G HA2 -0.070 3.890 3.960 0.001 0.000 0.206 306 G HA3 -0.070 3.890 3.960 0.001 0.000 0.206 306 G C 0.987 175.962 174.900 0.125 0.000 0.995 306 G CA 0.224 45.405 45.100 0.135 0.000 0.651 306 G HN 1.306 nan 8.290 nan 0.000 0.511 307 G N -1.338 107.533 108.800 0.118 0.000 2.162 307 G HA2 -0.022 3.938 3.960 0.001 0.000 0.260 307 G HA3 -0.022 3.938 3.960 0.001 0.000 0.260 307 G C 0.278 175.249 174.900 0.118 0.000 0.976 307 G CA 1.034 46.195 45.100 0.101 0.000 0.655 307 G HN 1.736 nan 8.290 nan 0.000 0.533 308 S N 0.431 116.239 115.700 0.179 0.000 2.532 308 S HA 0.610 5.081 4.470 0.001 0.000 0.301 308 S C -0.683 174.110 174.600 0.323 0.000 1.083 308 S CA -0.732 57.595 58.200 0.212 0.000 1.025 308 S CB 1.710 65.009 63.200 0.164 0.000 1.056 308 S HN 0.285 nan 8.310 nan 0.000 0.494 309 D N 1.299 121.869 120.400 0.284 0.000 2.253 309 D HA 0.184 4.825 4.640 0.001 0.000 0.249 309 D C -0.792 175.770 176.300 0.436 0.000 1.049 309 D CA -0.294 53.883 54.000 0.296 0.000 0.929 309 D CB 0.693 41.617 40.800 0.206 0.000 1.176 309 D HN 0.463 nan 8.370 nan 0.000 0.437 310 W N 3.000 124.381 121.300 0.135 0.000 2.308 310 W HA 0.247 4.908 4.660 0.001 0.000 0.311 310 W C -0.475 176.149 176.519 0.175 0.000 1.088 310 W CA -0.571 56.847 57.345 0.123 0.000 1.309 310 W CB 0.732 30.074 29.460 -0.198 0.000 1.229 310 W HN 0.211 nan 8.180 nan 0.000 0.427 311 T N 5.243 120.018 114.554 0.368 0.000 2.867 311 T HA 0.691 5.042 4.350 0.001 0.000 0.282 311 T C -0.344 174.590 174.700 0.391 0.000 1.000 311 T CA -0.673 61.624 62.100 0.329 0.000 1.042 311 T CB 1.246 70.222 68.868 0.180 0.000 0.973 311 T HN 0.442 nan 8.240 nan 0.000 0.465 312 M N 3.861 123.667 119.600 0.343 0.000 2.253 312 M HA 0.391 4.872 4.480 0.001 0.000 0.314 312 M C 0.270 176.709 176.300 0.231 0.000 1.019 312 M CA -0.872 54.615 55.300 0.312 0.000 0.932 312 M CB 2.347 35.146 32.600 0.332 0.000 1.606 312 M HN 0.968 nan 8.290 nan 0.000 0.430 313 T N -0.971 113.689 114.554 0.176 0.000 2.876 313 T HA 0.535 4.886 4.350 0.001 0.000 0.277 313 T C 1.283 176.068 174.700 0.141 0.000 0.997 313 T CA -0.203 61.978 62.100 0.135 0.000 0.966 313 T CB 1.059 69.970 68.868 0.072 0.000 1.312 313 T HN 0.760 nan 8.240 nan 0.000 0.598 314 G N 0.581 109.455 108.800 0.123 0.000 2.469 314 G HA2 -0.277 3.683 3.960 0.001 0.000 0.220 314 G HA3 -0.277 3.683 3.960 0.001 0.000 0.220 314 G C 1.371 176.335 174.900 0.106 0.000 1.136 314 G CA 1.199 46.390 45.100 0.151 0.000 0.759 314 G HN 0.975 nan 8.290 nan 0.000 0.562 315 K N 0.008 120.437 120.400 0.049 0.000 2.360 315 K HA 0.001 4.321 4.320 0.001 0.000 0.201 315 K C 1.540 178.178 176.600 0.063 0.000 1.046 315 K CA 1.332 57.631 56.287 0.020 0.000 0.945 315 K CB -0.113 32.385 32.500 -0.003 0.000 0.750 315 K HN 0.248 nan 8.250 nan 0.000 0.464 316 N N 0.754 119.510 118.700 0.093 0.000 2.407 316 N HA -0.047 4.694 4.740 0.001 0.000 0.182 316 N C 1.243 176.765 175.510 0.020 0.000 1.079 316 N CA 1.100 54.212 53.050 0.105 0.000 0.882 316 N CB 0.746 39.342 38.487 0.183 0.000 1.106 316 N HN 0.368 nan 8.380 nan 0.000 0.461 317 S N -0.665 115.038 115.700 0.005 0.000 2.540 317 S HA 0.341 4.811 4.470 0.001 0.000 0.218 317 S C 0.397 174.905 174.600 -0.153 0.000 0.977 317 S CA -0.250 57.839 58.200 -0.185 0.000 0.918 317 S CB 0.280 63.488 63.200 0.013 0.000 0.806 317 S HN -0.072 nan 8.310 nan 0.000 0.496 318 M N 2.126 121.724 119.600 -0.002 0.000 2.324 318 M HA 0.488 4.968 4.480 0.001 0.000 0.288 318 M C -1.569 174.756 176.300 0.041 0.000 1.097 318 M CA -0.524 54.801 55.300 0.042 0.000 0.928 318 M CB 2.028 34.768 32.600 0.234 0.000 1.648 318 M HN -0.084 nan 8.290 nan 0.000 0.460 319 V N 2.183 122.051 119.914 -0.076 0.000 2.459 319 V HA 0.406 4.526 4.120 0.001 0.000 0.295 319 V C -0.087 175.961 176.094 -0.077 0.000 1.029 319 V CA -0.914 61.347 62.300 -0.064 0.000 0.874 319 V CB 1.999 33.750 31.823 -0.120 0.000 0.985 319 V HN 0.667 nan 8.190 nan 0.000 0.438 320 D N 2.603 123.020 120.400 0.029 0.000 2.351 320 D HA 0.322 4.962 4.640 0.001 0.000 0.251 320 D C 0.431 176.726 176.300 -0.008 0.000 1.137 320 D CA 0.102 54.124 54.000 0.036 0.000 0.879 320 D CB 2.518 43.367 40.800 0.082 0.000 1.181 320 D HN 0.289 nan 8.370 nan 0.000 0.448 321 V N 2.563 122.461 119.914 -0.027 0.000 3.029 321 V HA 0.059 4.179 4.120 0.001 0.000 0.230 321 V C 0.673 176.780 176.094 0.022 0.000 1.254 321 V CA 0.701 63.000 62.300 -0.001 0.000 1.276 321 V CB 0.317 32.117 31.823 -0.038 0.000 1.080 321 V HN 0.414 nan 8.190 nan 0.000 0.495 322 K N 0.855 121.262 120.400 0.010 0.000 2.346 322 K HA 0.515 4.836 4.320 0.001 0.000 0.238 322 K C -1.014 175.598 176.600 0.020 0.000 1.039 322 K CA -0.881 55.416 56.287 0.017 0.000 0.861 322 K CB 0.812 33.320 32.500 0.014 0.000 1.278 322 K HN 0.104 nan 8.250 nan 0.000 0.460 323 Q N 0.534 120.347 119.800 0.022 0.000 2.289 323 Q HA 0.200 4.541 4.340 0.001 0.000 0.273 323 Q C 0.579 176.591 176.000 0.019 0.000 1.029 323 Q CA 0.712 56.531 55.803 0.026 0.000 0.896 323 Q CB 0.679 29.430 28.738 0.022 0.000 1.182 323 Q HN 0.968 nan 8.270 nan 0.000 0.385 324 G N 2.787 111.601 108.800 0.023 0.000 2.234 324 G HA2 -0.221 3.739 3.960 0.001 0.000 0.235 324 G HA3 -0.221 3.739 3.960 0.001 0.000 0.235 324 G C -0.001 174.896 174.900 -0.005 0.000 0.997 324 G CA 0.127 45.233 45.100 0.011 0.000 0.623 324 G HN 0.700 nan 8.290 nan 0.000 0.514 325 T N 0.741 115.289 114.554 -0.009 0.000 2.879 325 T HA 0.765 5.116 4.350 0.001 0.000 0.290 325 T C -0.241 174.425 174.700 -0.057 0.000 0.993 325 T CA 0.447 62.526 62.100 -0.036 0.000 0.975 325 T CB 1.860 70.708 68.868 -0.033 0.000 0.981 325 T HN 1.503 nan 8.240 nan 0.000 0.439 326 A N 1.877 124.638 122.820 -0.099 0.000 2.371 326 A HA 0.761 5.082 4.320 0.001 0.000 0.311 326 A C -0.297 177.200 177.584 -0.145 0.000 1.068 326 A CA -0.632 51.328 52.037 -0.128 0.000 0.744 326 A CB 0.813 19.710 19.000 -0.172 0.000 1.239 326 A HN 0.945 nan 8.150 nan 0.000 0.435 327 c N 0.816 119.235 118.600 -0.302 0.000 2.470 327 c HA 0.652 5.222 4.570 0.001 0.000 0.341 327 c C 0.460 174.382 174.090 -0.281 0.000 1.190 327 c CA -0.652 55.457 56.329 -0.366 0.000 1.904 327 c CB 1.352 43.326 42.510 -0.893 0.000 2.354 327 c HN 0.665 nan 8.230 nan 0.000 0.509 328 V N 2.515 122.377 119.914 -0.087 0.000 2.508 328 V HA 0.289 4.410 4.120 0.001 0.000 0.281 328 V C 0.991 177.017 176.094 -0.114 0.000 1.041 328 V CA 0.310 62.560 62.300 -0.082 0.000 1.016 328 V CB 0.916 32.753 31.823 0.024 0.000 0.984 328 V HN 1.074 nan 8.190 nan 0.000 0.478 329 A N 5.566 128.202 122.820 -0.306 0.000 2.416 329 A HA 0.392 4.712 4.320 0.001 0.000 0.252 329 A C -0.044 177.359 177.584 -0.301 0.000 1.353 329 A CA 0.062 51.995 52.037 -0.173 0.000 0.996 329 A CB -0.730 18.159 19.000 -0.184 0.000 0.961 329 A HN 0.566 nan 8.150 nan 0.000 0.523 330 F N -0.638 119.373 119.950 0.101 0.000 2.427 330 F HA 0.514 5.041 4.527 0.001 0.000 0.348 330 F C -0.142 175.810 175.800 0.253 0.000 1.125 330 F CA -1.076 57.006 58.000 0.137 0.000 0.989 330 F CB 1.781 40.776 39.000 -0.007 0.000 1.165 330 F HN -0.141 nan 8.300 nan 0.000 0.442 331 V N 2.435 122.584 119.914 0.390 0.000 2.540 331 V HA 0.298 4.418 4.120 0.001 0.000 0.302 331 V C -0.121 176.005 176.094 0.054 0.000 1.035 331 V CA -1.186 61.211 62.300 0.162 0.000 0.873 331 V CB 1.899 33.684 31.823 -0.064 0.000 0.992 331 V HN 0.700 nan 8.190 nan 0.000 0.428 332 E N 3.999 123.988 120.200 -0.353 0.000 2.376 332 E HA 0.234 4.584 4.350 0.001 0.000 0.266 332 E C -0.281 176.208 176.600 -0.185 0.000 1.009 332 E CA -0.362 55.758 56.400 -0.467 0.000 0.902 332 E CB 0.630 29.771 29.700 -0.931 0.000 0.972 332 E HN 0.576 nan 8.360 nan 0.000 0.439 333 M N 4.598 124.144 119.600 -0.090 0.000 2.239 333 M HA 0.086 4.567 4.480 0.001 0.000 0.348 333 M C 0.063 176.323 176.300 -0.068 0.000 1.239 333 M CA 0.388 55.661 55.300 -0.045 0.000 1.114 333 M CB 0.494 33.087 32.600 -0.012 0.000 1.641 333 M HN 0.345 nan 8.290 nan 0.000 0.453 334 K N 0.935 121.304 120.400 -0.052 0.000 2.095 334 K HA 0.702 5.023 4.320 0.001 0.000 0.252 334 K C 0.769 177.351 176.600 -0.030 0.000 0.977 334 K CA -0.432 55.825 56.287 -0.050 0.000 0.900 334 K CB 0.932 33.403 32.500 -0.048 0.000 1.060 334 K HN 0.833 nan 8.250 nan 0.000 0.449 335 G N -0.261 108.523 108.800 -0.027 0.000 2.179 335 G HA2 -0.215 3.745 3.960 0.001 0.000 0.257 335 G HA3 -0.215 3.745 3.960 0.001 0.000 0.257 335 G C -0.403 174.489 174.900 -0.014 0.000 1.010 335 G CA 0.258 45.347 45.100 -0.018 0.000 0.736 335 G HN 0.418 nan 8.290 nan 0.000 0.513 336 V N -0.014 119.891 119.914 -0.016 0.000 2.638 336 V HA 0.808 4.928 4.120 0.001 0.000 0.306 336 V C 0.549 176.637 176.094 -0.009 0.000 1.052 336 V CA -0.575 61.719 62.300 -0.010 0.000 0.885 336 V CB 1.830 33.649 31.823 -0.007 0.000 0.999 336 V HN 1.121 nan 8.190 nan 0.000 0.424 337 A N 3.529 126.345 122.820 -0.005 0.000 2.401 337 A HA 0.769 5.089 4.320 0.001 0.000 0.259 337 A C 0.734 178.319 177.584 0.001 0.000 1.103 337 A CA 0.238 52.274 52.037 -0.003 0.000 0.789 337 A CB 0.454 19.452 19.000 -0.003 0.000 1.035 337 A HN 1.575 nan 8.150 nan 0.000 0.491 338 A N 1.602 124.425 122.820 0.005 0.000 2.587 338 A HA 0.441 4.761 4.320 0.001 0.000 0.233 338 A C 1.629 179.217 177.584 0.008 0.000 1.049 338 A CA 0.872 52.916 52.037 0.011 0.000 0.754 338 A CB -0.715 18.295 19.000 0.016 0.000 0.977 338 A HN 2.776 nan 8.150 nan 0.000 0.509 339 G N 1.438 110.243 108.800 0.009 0.000 2.153 339 G HA2 -0.224 3.737 3.960 0.001 0.000 0.252 339 G HA3 -0.224 3.737 3.960 0.001 0.000 0.252 339 G C 0.020 174.920 174.900 0.001 0.000 0.994 339 G CA 0.589 45.692 45.100 0.004 0.000 0.698 339 G HN 1.180 nan 8.290 nan 0.000 0.521 340 D N 0.433 120.834 120.400 0.001 0.000 2.422 340 D HA 0.464 5.104 4.640 0.001 0.000 0.227 340 D C 1.700 177.996 176.300 -0.005 0.000 1.190 340 D CA 0.332 54.330 54.000 -0.003 0.000 0.905 340 D CB 0.248 41.047 40.800 -0.002 0.000 1.034 340 D HN 0.181 nan 8.370 nan 0.000 0.507 341 G N 3.876 112.670 108.800 -0.010 0.000 2.499 341 G HA2 -0.281 3.679 3.960 0.001 0.000 0.221 341 G HA3 -0.281 3.679 3.960 0.001 0.000 0.221 341 G C 1.467 176.352 174.900 -0.025 0.000 1.109 341 G CA 0.291 45.381 45.100 -0.018 0.000 0.749 341 G HN 0.504 nan 8.290 nan 0.000 0.568 342 R N 0.257 120.745 120.500 -0.020 0.000 2.189 342 R HA 0.205 4.545 4.340 0.001 0.000 0.223 342 R C 1.177 177.470 176.300 -0.011 0.000 1.092 342 R CA 0.624 56.710 56.100 -0.022 0.000 0.989 342 R CB -0.080 30.210 30.300 -0.016 0.000 0.876 342 R HN 0.346 nan 8.270 nan 0.000 0.457 343 A N 2.180 125.001 122.820 0.001 0.000 2.325 343 A HA 0.491 4.811 4.320 0.001 0.000 0.333 343 A C -2.368 175.236 177.584 0.035 0.000 1.155 343 A CA -2.020 50.031 52.037 0.023 0.000 0.814 343 A CB 0.604 19.615 19.000 0.019 0.000 1.206 343 A HN -0.120 nan 8.150 nan 0.000 0.482 344 P HA 0.189 nan 4.420 nan 0.000 0.268 344 P C 0.691 178.019 177.300 0.047 0.000 1.205 344 P CA 0.438 63.593 63.100 0.091 0.000 0.771 344 P CB 0.967 32.755 31.700 0.148 0.000 0.858 345 A N 3.185 126.024 122.820 0.032 0.000 1.929 345 A HA 0.069 4.389 4.320 0.001 0.000 0.216 345 A C 0.800 178.395 177.584 0.019 0.000 1.176 345 A CA 1.367 53.416 52.037 0.020 0.000 0.628 345 A CB -0.234 18.770 19.000 0.007 0.000 0.816 345 A HN 0.439 nan 8.150 nan 0.000 0.444 346 V N 0.023 119.941 119.914 0.008 0.000 2.760 346 V HA 0.421 4.542 4.120 0.001 0.000 0.309 346 V C -0.939 175.138 176.094 -0.029 0.000 1.077 346 V CA -0.376 61.919 62.300 -0.008 0.000 0.910 346 V CB 1.880 33.674 31.823 -0.048 0.000 1.008 346 V HN 0.294 nan 8.190 nan 0.000 0.424 347 I N 5.126 125.681 120.570 -0.026 0.000 2.464 347 I HA 0.348 4.518 4.170 0.001 0.000 0.277 347 I C -0.286 175.778 176.117 -0.088 0.000 1.040 347 I CA -0.321 60.938 61.300 -0.069 0.000 1.153 347 I CB 1.232 39.200 38.000 -0.054 0.000 1.274 347 I HN 0.382 nan 8.210 nan 0.000 0.469 348 L N 5.024 126.147 121.223 -0.166 0.000 2.490 348 L HA 0.274 4.614 4.340 0.001 0.000 0.274 348 L C 1.076 177.863 176.870 -0.138 0.000 1.201 348 L CA 0.233 54.955 54.840 -0.197 0.000 0.869 348 L CB 0.450 42.254 42.059 -0.426 0.000 1.123 348 L HN 0.642 nan 8.230 nan 0.000 0.484 349 G N 1.015 109.765 108.800 -0.084 0.000 3.119 349 G HA2 0.452 4.413 3.960 0.001 0.000 0.206 349 G HA3 0.452 4.413 3.960 0.001 0.000 0.206 349 G C 0.764 175.671 174.900 0.011 0.000 1.313 349 G CA 0.084 45.151 45.100 -0.056 0.000 1.010 349 G HN 0.682 nan 8.290 nan 0.000 0.578 350 G N -0.266 108.580 108.800 0.076 0.000 2.395 350 G HA2 0.183 4.144 3.960 0.001 0.000 0.214 350 G HA3 0.183 4.144 3.960 0.001 0.000 0.214 350 G C 1.901 176.907 174.900 0.177 0.000 1.177 350 G CA 1.692 46.888 45.100 0.160 0.000 0.794 350 G HN 0.971 nan 8.290 nan 0.000 0.532 351 A N 0.164 123.095 122.820 0.185 0.000 2.125 351 A HA 0.002 4.322 4.320 0.001 0.000 0.219 351 A C 2.259 179.936 177.584 0.156 0.000 1.156 351 A CA 1.812 53.950 52.037 0.168 0.000 0.671 351 A CB -0.191 18.895 19.000 0.143 0.000 0.794 351 A HN 0.381 nan 8.150 nan 0.000 0.459 352 Q N -1.247 118.636 119.800 0.138 0.000 2.424 352 Q HA 0.265 4.606 4.340 0.001 0.000 0.204 352 Q C 1.644 177.763 176.000 0.199 0.000 0.933 352 Q CA 0.708 56.624 55.803 0.188 0.000 0.929 352 Q CB 0.016 28.827 28.738 0.122 0.000 1.037 352 Q HN 0.705 nan 8.270 nan 0.000 0.511 353 M N -0.282 119.401 119.600 0.139 0.000 2.337 353 M HA 0.135 4.615 4.480 0.001 0.000 0.256 353 M C -0.296 176.097 176.300 0.156 0.000 1.075 353 M CA 0.116 55.475 55.300 0.099 0.000 1.024 353 M CB 0.690 33.341 32.600 0.085 0.000 1.429 353 M HN 0.057 nan 8.290 nan 0.000 0.497 354 E N 1.745 122.042 120.200 0.161 0.000 2.392 354 E HA -0.059 4.291 4.350 0.001 0.000 0.264 354 E C -0.297 176.406 176.600 0.170 0.000 1.024 354 E CA 0.125 56.601 56.400 0.126 0.000 0.903 354 E CB 0.328 30.107 29.700 0.132 0.000 0.963 354 E HN 0.144 nan 8.360 nan 0.000 0.432 355 D N 0.753 121.172 120.400 0.033 0.000 2.945 355 D HA -0.209 4.432 4.640 0.001 0.000 0.225 355 D C -0.984 175.192 176.300 -0.207 0.000 1.158 355 D CA 1.143 55.070 54.000 -0.122 0.000 0.805 355 D CB -1.310 39.378 40.800 -0.187 0.000 1.098 355 D HN 0.194 nan 8.370 nan 0.000 0.426 356 F N -0.344 119.491 119.950 -0.192 0.000 2.495 356 F HA 0.428 4.955 4.527 0.001 0.000 0.327 356 F C 0.597 176.309 175.800 -0.146 0.000 1.103 356 F CA -0.987 56.877 58.000 -0.227 0.000 0.949 356 F CB 1.659 40.478 39.000 -0.302 0.000 1.142 356 F HN -0.331 nan 8.300 nan 0.000 0.457 357 V N 5.339 125.266 119.914 0.021 0.000 2.408 357 V HA 0.263 4.384 4.120 0.001 0.000 0.267 357 V C -0.112 176.020 176.094 0.063 0.000 1.047 357 V CA -0.428 61.919 62.300 0.079 0.000 0.937 357 V CB 0.561 32.460 31.823 0.128 0.000 0.999 357 V HN 0.471 nan 8.190 nan 0.000 0.472 358 L N 4.378 125.643 121.223 0.069 0.000 2.325 358 L HA 0.532 4.873 4.340 0.001 0.000 0.281 358 L C -0.532 176.295 176.870 -0.071 0.000 1.004 358 L CA -0.502 54.312 54.840 -0.043 0.000 0.823 358 L CB 1.855 43.909 42.059 -0.009 0.000 1.236 358 L HN 0.524 nan 8.230 nan 0.000 0.415 359 D N 3.248 123.545 120.400 -0.172 0.000 2.467 359 D HA 0.274 4.915 4.640 0.001 0.000 0.220 359 D C -0.867 175.298 176.300 -0.224 0.000 1.103 359 D CA -0.278 53.660 54.000 -0.103 0.000 0.886 359 D CB 0.419 41.230 40.800 0.017 0.000 1.025 359 D HN 0.065 nan 8.370 nan 0.000 0.514 360 F N 2.612 122.300 119.950 -0.436 0.000 2.439 360 F HA 0.189 4.717 4.527 0.001 0.000 0.356 360 F C 0.828 176.473 175.800 -0.258 0.000 1.161 360 F CA -0.548 57.148 58.000 -0.506 0.000 1.151 360 F CB 0.609 38.900 39.000 -1.182 0.000 1.222 360 F HN 0.204 nan 8.300 nan 0.000 0.558 361 D N 4.858 125.296 120.400 0.063 0.000 2.454 361 D HA 0.230 4.870 4.640 0.001 0.000 0.225 361 D C 0.456 176.834 176.300 0.130 0.000 1.081 361 D CA -0.191 53.869 54.000 0.100 0.000 0.864 361 D CB 0.874 41.726 40.800 0.088 0.000 1.040 361 D HN 0.524 nan 8.370 nan 0.000 0.517 362 M N 1.760 121.460 119.600 0.167 0.000 2.561 362 M HA 0.097 4.578 4.480 0.001 0.000 0.238 362 M C 1.387 177.770 176.300 0.138 0.000 1.131 362 M CA 0.326 55.738 55.300 0.187 0.000 1.046 362 M CB 0.634 33.383 32.600 0.249 0.000 1.532 362 M HN 0.314 nan 8.290 nan 0.000 0.497 363 E N 0.777 121.043 120.200 0.111 0.000 2.075 363 E HA -0.052 4.299 4.350 0.001 0.000 0.190 363 E C 1.435 178.070 176.600 0.059 0.000 0.969 363 E CA 0.787 57.236 56.400 0.081 0.000 0.815 363 E CB 0.231 29.974 29.700 0.071 0.000 0.776 363 E HN 0.403 nan 8.360 nan 0.000 0.457 364 K N 0.758 121.185 120.400 0.044 0.000 2.444 364 K HA 0.050 4.371 4.320 0.001 0.000 0.193 364 K C -0.387 176.238 176.600 0.041 0.000 1.024 364 K CA 0.099 56.398 56.287 0.020 0.000 1.077 364 K CB 0.229 32.711 32.500 -0.030 0.000 0.833 364 K HN -0.059 nan 8.250 nan 0.000 0.517 365 K N 1.415 121.860 120.400 0.076 0.000 3.419 365 K HA -0.230 4.091 4.320 0.001 0.000 0.272 365 K C -0.874 175.788 176.600 0.103 0.000 0.973 365 K CA 0.635 56.983 56.287 0.102 0.000 0.749 365 K CB -1.453 31.104 32.500 0.095 0.000 1.403 365 K HN 0.414 nan 8.250 nan 0.000 0.456 366 R N -0.426 120.144 120.500 0.116 0.000 2.626 366 R HA 0.611 4.951 4.340 0.001 0.000 0.274 366 R C -1.607 174.810 176.300 0.194 0.000 1.031 366 R CA -1.327 54.874 56.100 0.169 0.000 0.898 366 R CB 1.148 31.547 30.300 0.164 0.000 1.222 366 R HN 0.032 nan 8.270 nan 0.000 0.455 367 L N 1.910 123.222 121.223 0.148 0.000 2.287 367 L HA 0.607 4.948 4.340 0.001 0.000 0.287 367 L C -0.189 176.659 176.870 -0.036 0.000 1.022 367 L CA 0.091 54.898 54.840 -0.055 0.000 0.814 367 L CB 1.707 43.634 42.059 -0.221 0.000 1.217 367 L HN 0.897 nan 8.230 nan 0.000 0.420 368 G N 4.685 113.283 108.800 -0.338 0.000 2.356 368 G HA2 0.502 4.462 3.960 0.001 0.000 0.298 368 G HA3 0.502 4.462 3.960 0.001 0.000 0.298 368 G C -1.224 173.489 174.900 -0.311 0.000 1.145 368 G CA -0.342 44.212 45.100 -0.910 0.000 0.850 368 G HN 0.624 nan 8.290 nan 0.000 0.487 369 F N 0.309 120.025 119.950 -0.390 0.000 2.671 369 F HA 0.688 5.216 4.527 0.001 0.000 0.332 369 F C -0.456 175.237 175.800 -0.180 0.000 1.189 369 F CA -1.642 56.226 58.000 -0.220 0.000 0.988 369 F CB 1.355 40.248 39.000 -0.178 0.000 1.258 369 F HN 0.227 nan 8.300 nan 0.000 0.471 370 S N 3.589 119.186 115.700 -0.171 0.000 2.474 370 S HA 0.466 4.937 4.470 0.001 0.000 0.321 370 S C -0.361 174.012 174.600 -0.378 0.000 1.080 370 S CA -0.794 57.254 58.200 -0.254 0.000 1.106 370 S CB 1.256 64.353 63.200 -0.171 0.000 0.984 370 S HN 0.797 nan 8.310 nan 0.000 0.464 371 R N 3.812 123.948 120.500 -0.608 0.000 2.351 371 R HA 0.249 4.589 4.340 0.001 0.000 0.318 371 R C -0.492 175.403 176.300 -0.675 0.000 1.055 371 R CA -0.286 55.164 56.100 -1.084 0.000 0.968 371 R CB 0.035 29.734 30.300 -1.002 0.000 0.974 371 R HN 0.609 nan 8.270 nan 0.000 0.439 372 L N 7.319 128.125 121.223 -0.694 0.000 2.456 372 L HA 0.222 4.563 4.340 0.001 0.000 0.272 372 L C -1.497 174.991 176.870 -0.638 0.000 1.189 372 L CA -1.666 52.762 54.840 -0.686 0.000 0.846 372 L CB 0.467 42.090 42.059 -0.728 0.000 1.111 372 L HN 0.607 nan 8.230 nan 0.000 0.475 373 P HA 0.057 nan 4.420 nan 0.000 0.274 373 P C -0.003 176.916 177.300 -0.635 0.000 1.256 373 P CA -0.318 62.456 63.100 -0.542 0.000 0.795 373 P CB 0.385 31.789 31.700 -0.494 0.000 1.038 374 H N -0.380 118.446 119.070 -0.406 0.000 2.456 374 H HA -0.122 4.435 4.556 0.001 0.000 0.296 374 H C 1.351 176.526 175.328 -0.256 0.000 1.079 374 H CA 1.381 57.272 56.048 -0.263 0.000 1.322 374 H CB -1.176 28.529 29.762 -0.094 0.000 1.388 374 H HN 0.346 nan 8.280 nan 0.000 0.538 375 F N 0.043 119.387 119.950 -1.009 0.000 2.811 375 F HA 0.330 4.857 4.527 0.001 0.000 0.301 375 F C 0.573 176.127 175.800 -0.409 0.000 1.151 375 F CA 0.216 57.741 58.000 -0.792 0.000 1.412 375 F CB -0.291 38.309 39.000 -0.668 0.000 1.113 375 F HN 0.219 nan 8.300 nan 0.000 0.579 376 T N -0.888 113.213 114.554 -0.755 0.000 2.804 376 T HA 0.804 5.154 4.350 0.001 0.000 0.290 376 T C -0.700 173.697 174.700 -0.505 0.000 1.099 376 T CA -0.164 61.621 62.100 -0.524 0.000 1.011 376 T CB 1.466 69.971 68.868 -0.605 0.000 1.291 376 T HN 0.422 nan 8.240 nan 0.000 0.523 377 G N -0.569 107.982 108.800 -0.415 0.000 2.646 377 G HA2 0.430 4.391 3.960 0.001 0.000 0.291 377 G HA3 0.430 4.391 3.960 0.001 0.000 0.291 377 G C 0.841 175.549 174.900 -0.320 0.000 1.445 377 G CA -0.161 44.733 45.100 -0.343 0.000 0.814 377 G HN 0.901 nan 8.290 nan 0.000 0.495 378 c N 0.206 118.644 118.600 -0.270 0.000 2.401 378 c HA 0.117 4.687 4.570 0.001 0.000 0.276 378 c C 2.210 176.203 174.090 -0.162 0.000 1.233 378 c CA 1.110 57.295 56.329 -0.240 0.000 1.753 378 c CB -0.982 41.446 42.510 -0.138 0.000 2.029 378 c HN 0.956 nan 8.230 nan 0.000 0.478 379 G N -0.851 107.886 108.800 -0.104 0.000 2.248 379 G HA2 0.390 4.350 3.960 0.001 0.000 0.260 379 G HA3 0.390 4.350 3.960 0.001 0.000 0.260 379 G C 1.071 175.929 174.900 -0.069 0.000 1.214 379 G CA 0.601 45.667 45.100 -0.057 0.000 0.979 379 G HN 1.226 nan 8.290 nan 0.000 0.454 380 G N 1.341 110.118 108.800 -0.038 0.000 2.199 380 G HA2 -0.232 3.729 3.960 0.001 0.000 0.254 380 G HA3 -0.232 3.729 3.960 0.001 0.000 0.254 380 G C 0.563 175.438 174.900 -0.043 0.000 0.982 380 G CA 0.499 45.583 45.100 -0.027 0.000 0.632 380 G HN 0.923 nan 8.290 nan 0.000 0.529 381 L N 0.000 121.153 121.223 -0.117 0.000 2.949 381 L HA 0.000 4.340 4.340 0.001 0.000 0.249 381 L CA 0.000 54.716 54.840 -0.207 0.000 0.813 381 L CB 0.000 41.716 42.059 -0.571 0.000 0.961 381 L HN 0.000 nan 8.230 nan 0.000 0.502