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 1dcn_1_C DATA FIRST_RESID 19 DATA SEQUENCE TDPIMEKLNS SIAYDQRLSE VDIQGSMAYA KALEKAGILT KTELEKILSG DATA SEQUENCE LEKISEEWSK GVFVVKQSDE DIHTANERRL KELIGDIAGK LNTGRSRNDQ DATA SEQUENCE VVTDLKLFMK NSLSIISTHL LQLIKTLVER AAIEIDVILP GYTNLQKAQP DATA SEQUENCE IRWSQFLLSH AVALTRDSER LGEVKKRINV LPLGSGALAG NPLDIDREML DATA SEQUENCE RSELEFASIS LNSMDAISER DFVVEFLSFA TLLMIHLSKM AEDLIIYSTS DATA SEQUENCE EFGFLTLSDA XXXXXXXXXX XXXPDSLELI RSKSGRVFGR LASILMVLKG DATA SEQUENCE LPSTYNKDLQ EDKEAVFDVV DTLTAVLQVA TGVISTLQIS KENMEKALTP DATA SEQUENCE EMLATDLALY LVRKGVPFRQ AHTASGKAVH LAETKGITIN NLSLEDLKSI DATA SEQUENCE SPQFSSDVSQ VFNFVNSVEQ YTALAGTAKS SVTTQIEQLR ELMKKQK 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 19 T HA 0.000 nan 4.350 nan 0.000 0.228 19 T C 0.000 174.703 174.700 0.004 0.000 1.109 19 T CA 0.000 62.102 62.100 0.004 0.000 1.349 19 T CB 0.000 68.870 68.868 0.004 0.000 0.612 20 D N 3.989 124.391 120.400 0.005 0.000 2.460 20 D HA 0.474 5.114 4.640 -0.000 0.000 0.232 20 D C -1.332 174.972 176.300 0.007 0.000 1.079 20 D CA -2.274 51.729 54.000 0.005 0.000 0.864 20 D CB 2.033 42.836 40.800 0.005 0.000 1.048 20 D HN 0.044 nan 8.370 nan 0.000 0.523 21 P HA -0.132 nan 4.420 nan 0.000 0.226 21 P C 1.071 178.377 177.300 0.010 0.000 1.146 21 P CA 0.517 63.622 63.100 0.008 0.000 0.773 21 P CB 0.444 32.149 31.700 0.008 0.000 0.772 22 I N -0.863 119.713 120.570 0.009 0.000 2.277 22 I HA -0.134 4.036 4.170 -0.000 0.000 0.243 22 I C 2.739 178.864 176.117 0.012 0.000 1.094 22 I CA 1.317 62.624 61.300 0.011 0.000 1.393 22 I CB -1.095 36.911 38.000 0.009 0.000 1.078 22 I HN -0.181 nan 8.210 nan 0.000 0.417 23 M N 0.452 120.058 119.600 0.010 0.000 2.080 23 M HA -0.217 4.263 4.480 -0.000 0.000 0.260 23 M C 2.637 178.944 176.300 0.012 0.000 1.068 23 M CA 2.392 57.699 55.300 0.011 0.000 1.109 23 M CB -1.560 31.045 32.600 0.008 0.000 1.342 23 M HN 0.458 nan 8.290 nan 0.000 0.405 24 E N 0.820 121.026 120.200 0.010 0.000 2.049 24 E HA -0.269 4.081 4.350 -0.000 0.000 0.198 24 E C 2.063 178.669 176.600 0.010 0.000 1.007 24 E CA 2.209 58.614 56.400 0.009 0.000 0.809 24 E CB -0.921 28.783 29.700 0.008 0.000 0.749 24 E HN 0.639 nan 8.360 nan 0.000 0.450 25 K N -0.333 120.075 120.400 0.014 0.000 2.097 25 K HA -0.038 4.282 4.320 -0.000 0.000 0.206 25 K C 2.407 179.022 176.600 0.026 0.000 1.049 25 K CA 1.242 57.540 56.287 0.018 0.000 0.933 25 K CB -0.334 32.178 32.500 0.021 0.000 0.717 25 K HN 0.400 nan 8.250 nan 0.000 0.442 26 L N 1.094 122.333 121.223 0.027 0.000 2.079 26 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 26 L C 1.543 178.437 176.870 0.040 0.000 1.081 26 L CA 1.071 55.932 54.840 0.036 0.000 0.752 26 L CB -0.386 41.688 42.059 0.025 0.000 0.896 26 L HN 0.264 nan 8.230 nan 0.000 0.433 27 N N -0.681 118.034 118.700 0.024 0.000 2.322 27 N HA 0.017 4.757 4.740 -0.000 0.000 0.194 27 N C 0.098 175.606 175.510 -0.003 0.000 1.126 27 N CA 0.153 53.214 53.050 0.018 0.000 0.845 27 N CB 0.347 38.840 38.487 0.009 0.000 0.976 27 N HN 0.100 nan 8.380 nan 0.000 0.475 28 S N 0.411 116.107 115.700 -0.007 0.000 2.422 28 S HA 0.146 4.616 4.470 -0.000 0.000 0.283 28 S C 1.201 175.721 174.600 -0.134 0.000 1.163 28 S CA -0.545 57.627 58.200 -0.047 0.000 1.054 28 S CB 0.855 64.041 63.200 -0.024 0.000 0.967 28 S HN 0.343 nan 8.310 nan 0.000 0.499 29 S N 2.323 117.874 115.700 -0.248 0.000 2.604 29 S HA 0.088 4.558 4.470 -0.000 0.000 0.235 29 S C 1.388 175.604 174.600 -0.640 0.000 1.043 29 S CA -0.321 57.477 58.200 -0.670 0.000 0.997 29 S CB -0.474 62.466 63.200 -0.433 0.000 0.956 29 S HN 0.526 nan 8.310 nan 0.000 0.535 30 I N 3.313 123.719 120.570 -0.273 0.000 2.502 30 I HA -0.107 4.063 4.170 -0.000 0.000 0.258 30 I C 2.321 178.354 176.117 -0.140 0.000 1.172 30 I CA 0.909 62.124 61.300 -0.141 0.000 1.430 30 I CB -0.752 37.233 38.000 -0.025 0.000 1.086 30 I HN 0.388 nan 8.210 nan 0.000 0.440 31 A N 0.523 123.225 122.820 -0.197 0.000 1.865 31 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 31 A C 2.153 179.732 177.584 -0.009 0.000 1.191 31 A CA 2.347 54.338 52.037 -0.077 0.000 0.623 31 A CB -1.224 17.760 19.000 -0.028 0.000 0.826 31 A HN 0.695 nan 8.150 nan 0.000 0.444 32 Y N 0.089 120.436 120.300 0.079 0.000 2.509 32 Y HA 0.335 4.885 4.550 -0.000 0.000 0.270 32 Y C 0.155 176.118 175.900 0.105 0.000 1.103 32 Y CA -0.730 57.429 58.100 0.099 0.000 1.278 32 Y CB -0.752 37.805 38.460 0.161 0.000 1.087 32 Y HN 0.369 nan 8.280 nan 0.000 0.542 33 D N 0.507 120.907 120.400 0.000 0.000 2.373 33 D HA 0.333 4.973 4.640 -0.000 0.000 0.227 33 D C 0.265 176.520 176.300 -0.075 0.000 1.091 33 D CA -0.406 53.652 54.000 0.096 0.000 0.840 33 D CB 1.529 42.394 40.800 0.109 0.000 1.060 33 D HN 0.408 nan 8.370 nan 0.000 0.502 34 Q N 1.400 121.103 119.800 -0.161 0.000 1.917 34 Q HA -0.016 4.324 4.340 -0.000 0.000 0.188 34 Q C 1.565 177.314 176.000 -0.417 0.000 0.674 34 Q CA -0.242 55.398 55.803 -0.272 0.000 0.789 34 Q CB 0.210 28.904 28.738 -0.073 0.000 1.231 34 Q HN 0.552 nan 8.270 nan 0.000 0.408 35 R N 1.139 121.421 120.500 -0.364 0.000 2.249 35 R HA -0.039 4.301 4.340 -0.000 0.000 0.230 35 R C 1.382 177.446 176.300 -0.395 0.000 1.121 35 R CA 1.073 56.939 56.100 -0.390 0.000 0.997 35 R CB -0.342 29.650 30.300 -0.513 0.000 0.867 35 R HN 0.185 nan 8.270 nan 0.000 0.465 36 L N 2.162 123.150 121.223 -0.393 0.000 2.591 36 L HA 0.025 4.365 4.340 -0.000 0.000 0.228 36 L C 2.326 178.971 176.870 -0.374 0.000 1.133 36 L CA 0.464 55.124 54.840 -0.298 0.000 0.880 36 L CB -0.195 41.754 42.059 -0.185 0.000 1.033 36 L HN 0.311 nan 8.230 nan 0.000 0.450 37 S N 0.351 115.692 115.700 -0.599 0.000 2.372 37 S HA -0.313 4.157 4.470 -0.000 0.000 0.227 37 S C 1.846 176.096 174.600 -0.583 0.000 1.044 37 S CA 1.809 59.480 58.200 -0.882 0.000 1.050 37 S CB -0.272 61.825 63.200 -1.839 0.000 0.901 37 S HN 0.467 nan 8.310 nan 0.000 0.447 38 E N 1.687 121.635 120.200 -0.421 0.000 2.031 38 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 38 E C 2.217 178.720 176.600 -0.163 0.000 0.994 38 E CA 1.914 58.172 56.400 -0.237 0.000 0.800 38 E CB -0.752 28.859 29.700 -0.148 0.000 0.752 38 E HN 0.611 nan 8.360 nan 0.000 0.447 39 V N -0.299 119.536 119.914 -0.132 0.000 2.490 39 V HA -0.193 3.927 4.120 -0.000 0.000 0.250 39 V C 2.098 178.128 176.094 -0.107 0.000 1.061 39 V CA 2.293 64.546 62.300 -0.079 0.000 1.064 39 V CB -0.939 30.875 31.823 -0.016 0.000 0.670 39 V HN 0.263 nan 8.190 nan 0.000 0.461 40 D N 0.660 120.949 120.400 -0.186 0.000 2.144 40 D HA -0.144 4.496 4.640 -0.000 0.000 0.200 40 D C 1.877 178.079 176.300 -0.165 0.000 0.978 40 D CA 1.915 55.775 54.000 -0.232 0.000 0.833 40 D CB -0.292 40.296 40.800 -0.354 0.000 0.961 40 D HN 0.533 nan 8.370 nan 0.000 0.470 41 I N 0.048 120.528 120.570 -0.150 0.000 2.202 41 I HA -0.209 3.961 4.170 -0.000 0.000 0.242 41 I C 2.372 178.467 176.117 -0.037 0.000 1.091 41 I CA 0.916 62.169 61.300 -0.080 0.000 1.368 41 I CB -0.336 37.621 38.000 -0.072 0.000 1.058 41 I HN 0.109 nan 8.210 nan 0.000 0.410 42 Q N 0.499 120.275 119.800 -0.040 0.000 2.291 42 Q HA -0.109 4.231 4.340 -0.000 0.000 0.205 42 Q C 2.261 178.271 176.000 0.017 0.000 0.970 42 Q CA 1.272 57.070 55.803 -0.008 0.000 0.876 42 Q CB -0.252 28.477 28.738 -0.016 0.000 0.935 42 Q HN 0.640 nan 8.270 nan 0.000 0.455 43 G N 0.115 108.915 108.800 0.001 0.000 2.394 43 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.215 43 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.215 43 G C 1.490 176.419 174.900 0.048 0.000 1.165 43 G CA 0.633 45.746 45.100 0.022 0.000 0.784 43 G HN 0.220 nan 8.290 nan 0.000 0.535 44 S N 0.553 116.269 115.700 0.028 0.000 2.368 44 S HA -0.056 4.414 4.470 -0.000 0.000 0.224 44 S C 2.421 177.080 174.600 0.099 0.000 1.029 44 S CA 1.266 59.511 58.200 0.074 0.000 0.988 44 S CB -0.268 62.956 63.200 0.040 0.000 0.838 44 S HN 0.331 nan 8.310 nan 0.000 0.462 45 M N 1.385 121.021 119.600 0.061 0.000 2.080 45 M HA -0.170 4.310 4.480 -0.000 0.000 0.260 45 M C 2.538 178.875 176.300 0.061 0.000 1.068 45 M CA 1.689 57.020 55.300 0.052 0.000 1.109 45 M CB -0.672 31.949 32.600 0.035 0.000 1.342 45 M HN 0.407 nan 8.290 nan 0.000 0.405 46 A N -0.550 122.316 122.820 0.076 0.000 1.883 46 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 46 A C 2.029 179.680 177.584 0.110 0.000 1.186 46 A CA 1.640 53.728 52.037 0.085 0.000 0.624 46 A CB -1.174 17.887 19.000 0.101 0.000 0.822 46 A HN 0.558 nan 8.150 nan 0.000 0.444 47 Y N 0.544 120.846 120.300 0.003 0.000 2.224 47 Y HA -0.069 4.481 4.550 -0.000 0.000 0.289 47 Y C 2.709 178.608 175.900 -0.000 0.000 1.146 47 Y CA 0.842 58.941 58.100 -0.002 0.000 1.182 47 Y CB -0.613 37.844 38.460 -0.004 0.000 0.983 47 Y HN 0.332 nan 8.280 nan 0.000 0.524 48 A N 0.411 123.255 122.820 0.041 0.000 1.865 48 A HA -0.249 4.070 4.320 -0.000 0.000 0.217 48 A C 2.269 179.805 177.584 -0.080 0.000 1.191 48 A CA 2.206 54.224 52.037 -0.031 0.000 0.623 48 A CB -0.659 18.355 19.000 0.023 0.000 0.826 48 A HN 0.483 nan 8.150 nan 0.000 0.444 49 K N -0.403 119.972 120.400 -0.041 0.000 2.074 49 K HA -0.167 4.153 4.320 -0.000 0.000 0.209 49 K C 2.211 178.764 176.600 -0.079 0.000 1.048 49 K CA 1.342 57.603 56.287 -0.043 0.000 0.926 49 K CB -0.372 32.119 32.500 -0.015 0.000 0.713 49 K HN 0.475 nan 8.250 nan 0.000 0.444 50 A N 0.864 123.613 122.820 -0.118 0.000 2.014 50 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 50 A C 2.002 179.454 177.584 -0.219 0.000 1.163 50 A CA 0.948 52.894 52.037 -0.152 0.000 0.652 50 A CB -0.261 18.646 19.000 -0.156 0.000 0.808 50 A HN 0.102 nan 8.150 nan 0.000 0.449 51 L N -0.191 120.850 121.223 -0.303 0.000 2.093 51 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 51 L C 2.444 179.228 176.870 -0.144 0.000 1.085 51 L CA 1.899 56.573 54.840 -0.278 0.000 0.755 51 L CB -0.547 41.329 42.059 -0.304 0.000 0.904 51 L HN 0.477 nan 8.230 nan 0.000 0.435 52 E N 0.115 120.251 120.200 -0.107 0.000 2.077 52 E HA -0.281 4.069 4.350 -0.000 0.000 0.193 52 E C 2.184 178.749 176.600 -0.059 0.000 0.989 52 E CA 1.342 57.702 56.400 -0.066 0.000 0.800 52 E CB 0.042 29.713 29.700 -0.048 0.000 0.746 52 E HN 0.446 nan 8.360 nan 0.000 0.452 53 K N -0.118 120.243 120.400 -0.065 0.000 2.148 53 K HA -0.022 4.298 4.320 -0.000 0.000 0.204 53 K C 1.838 178.405 176.600 -0.055 0.000 1.050 53 K CA 0.977 57.233 56.287 -0.052 0.000 0.942 53 K CB -0.104 32.367 32.500 -0.048 0.000 0.724 53 K HN 0.081 nan 8.250 nan 0.000 0.446 54 A N 0.094 122.869 122.820 -0.076 0.000 2.209 54 A HA 0.124 4.444 4.320 -0.000 0.000 0.212 54 A C 1.481 179.034 177.584 -0.052 0.000 1.158 54 A CA 1.106 53.102 52.037 -0.069 0.000 0.742 54 A CB -0.480 18.461 19.000 -0.098 0.000 0.790 54 A HN 0.578 nan 8.150 nan 0.000 0.472 55 G N -1.542 107.228 108.800 -0.049 0.000 2.175 55 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.244 55 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.244 55 G C 0.630 175.509 174.900 -0.035 0.000 0.982 55 G CA 0.489 45.568 45.100 -0.036 0.000 0.641 55 G HN 0.404 nan 8.290 nan 0.000 0.527 56 I N 0.464 121.006 120.570 -0.047 0.000 2.761 56 I HA 0.335 4.505 4.170 -0.000 0.000 0.261 56 I C 1.310 177.407 176.117 -0.034 0.000 1.198 56 I CA 0.955 62.232 61.300 -0.039 0.000 1.482 56 I CB -0.037 37.933 38.000 -0.050 0.000 1.100 56 I HN 0.239 nan 8.210 nan 0.000 0.445 57 L N -0.189 121.008 121.223 -0.043 0.000 2.370 57 L HA 0.446 4.786 4.340 -0.000 0.000 0.266 57 L C 0.061 176.915 176.870 -0.027 0.000 1.002 57 L CA -0.774 54.047 54.840 -0.032 0.000 0.818 57 L CB 2.075 44.110 42.059 -0.039 0.000 1.325 57 L HN 0.033 nan 8.230 nan 0.000 0.418 58 T N -2.332 112.212 114.554 -0.017 0.000 2.928 58 T HA 0.206 4.556 4.350 -0.000 0.000 0.284 58 T C 0.795 175.487 174.700 -0.013 0.000 1.008 58 T CA -0.752 61.339 62.100 -0.014 0.000 1.057 58 T CB 1.970 70.832 68.868 -0.009 0.000 1.018 58 T HN 0.550 nan 8.240 nan 0.000 0.493 59 K N 1.346 121.739 120.400 -0.012 0.000 2.144 59 K HA -0.157 4.163 4.320 -0.000 0.000 0.209 59 K C 2.003 178.600 176.600 -0.006 0.000 1.047 59 K CA 2.261 58.542 56.287 -0.010 0.000 0.927 59 K CB -1.194 31.301 32.500 -0.008 0.000 0.716 59 K HN 0.755 nan 8.250 nan 0.000 0.454 60 T N 0.510 115.061 114.554 -0.004 0.000 2.698 60 T HA -0.074 4.276 4.350 -0.000 0.000 0.260 60 T C 1.436 176.136 174.700 0.000 0.000 1.044 60 T CA 1.553 63.652 62.100 -0.001 0.000 1.149 60 T CB -0.256 68.612 68.868 -0.001 0.000 0.864 60 T HN 0.395 nan 8.240 nan 0.000 0.419 61 E N 0.761 120.960 120.200 -0.001 0.000 2.070 61 E HA -0.163 4.187 4.350 -0.000 0.000 0.197 61 E C 2.140 178.742 176.600 0.003 0.000 1.004 61 E CA 0.995 57.396 56.400 0.002 0.000 0.805 61 E CB -0.337 29.363 29.700 -0.001 0.000 0.744 61 E HN 0.180 nan 8.360 nan 0.000 0.451 62 L N 1.540 122.762 121.223 -0.002 0.000 1.990 62 L HA -0.288 4.052 4.340 -0.000 0.000 0.213 62 L C 2.503 179.377 176.870 0.005 0.000 1.072 62 L CA 2.868 57.706 54.840 -0.002 0.000 0.755 62 L CB -0.975 41.078 42.059 -0.010 0.000 0.889 62 L HN 0.228 nan 8.230 nan 0.000 0.432 63 E N -0.287 119.916 120.200 0.004 0.000 2.070 63 E HA -0.320 4.030 4.350 -0.000 0.000 0.197 63 E C 2.136 178.743 176.600 0.012 0.000 1.004 63 E CA 1.960 58.365 56.400 0.008 0.000 0.805 63 E CB -0.839 28.865 29.700 0.005 0.000 0.744 63 E HN 0.536 nan 8.360 nan 0.000 0.451 64 K N 0.066 120.472 120.400 0.011 0.000 2.032 64 K HA 0.008 4.328 4.320 -0.000 0.000 0.209 64 K C 2.120 178.733 176.600 0.021 0.000 1.048 64 K CA 1.424 57.720 56.287 0.015 0.000 0.927 64 K CB -0.478 32.030 32.500 0.013 0.000 0.712 64 K HN 0.562 nan 8.250 nan 0.000 0.441 65 I N -0.049 120.534 120.570 0.022 0.000 2.142 65 I HA -0.273 3.897 4.170 -0.000 0.000 0.240 65 I C 1.768 177.905 176.117 0.033 0.000 1.078 65 I CA 0.857 62.174 61.300 0.029 0.000 1.343 65 I CB -0.294 37.723 38.000 0.029 0.000 1.046 65 I HN 0.023 nan 8.210 nan 0.000 0.405 66 L N 0.417 121.657 121.223 0.027 0.000 1.989 66 L HA -0.230 4.110 4.340 -0.000 0.000 0.211 66 L C 2.713 179.602 176.870 0.032 0.000 1.071 66 L CA 1.818 56.675 54.840 0.029 0.000 0.749 66 L CB -1.052 41.019 42.059 0.021 0.000 0.890 66 L HN 0.122 nan 8.230 nan 0.000 0.431 67 S N -0.438 115.279 115.700 0.028 0.000 2.374 67 S HA -0.189 4.281 4.470 -0.000 0.000 0.227 67 S C 2.048 176.670 174.600 0.038 0.000 1.037 67 S CA 1.273 59.490 58.200 0.029 0.000 1.024 67 S CB -0.937 62.276 63.200 0.022 0.000 0.861 67 S HN 0.629 nan 8.310 nan 0.000 0.456 68 G N 1.567 110.391 108.800 0.040 0.000 2.421 68 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.216 68 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.216 68 G C 1.326 176.268 174.900 0.070 0.000 1.171 68 G CA 0.638 45.768 45.100 0.051 0.000 0.775 68 G HN 0.450 nan 8.290 nan 0.000 0.543 69 L N 0.220 121.483 121.223 0.066 0.000 2.131 69 L HA -0.039 4.301 4.340 -0.000 0.000 0.210 69 L C 2.883 179.800 176.870 0.079 0.000 1.092 69 L CA 0.867 55.753 54.840 0.076 0.000 0.759 69 L CB -0.285 41.808 42.059 0.057 0.000 0.903 69 L HN 0.136 nan 8.230 nan 0.000 0.435 70 E N 0.067 120.305 120.200 0.063 0.000 2.106 70 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 70 E C 2.074 178.720 176.600 0.077 0.000 0.984 70 E CA 0.746 57.182 56.400 0.060 0.000 0.806 70 E CB -0.047 29.679 29.700 0.043 0.000 0.750 70 E HN 0.236 nan 8.360 nan 0.000 0.458 71 K N 1.525 121.971 120.400 0.077 0.000 1.973 71 K HA -0.083 4.237 4.320 -0.000 0.000 0.210 71 K C 2.253 178.929 176.600 0.126 0.000 1.045 71 K CA 0.742 57.077 56.287 0.080 0.000 0.937 71 K CB -0.892 31.644 32.500 0.060 0.000 0.721 71 K HN 0.204 nan 8.250 nan 0.000 0.438 72 I N 0.862 121.533 120.570 0.168 0.000 2.236 72 I HA -0.358 3.812 4.170 -0.000 0.000 0.249 72 I C 2.324 178.662 176.117 0.368 0.000 1.102 72 I CA 1.877 63.353 61.300 0.293 0.000 1.365 72 I CB -0.295 37.919 38.000 0.357 0.000 1.051 72 I HN 0.212 nan 8.210 nan 0.000 0.420 73 S N 0.590 116.441 115.700 0.252 0.000 2.351 73 S HA -0.351 4.119 4.470 -0.000 0.000 0.220 73 S C 2.062 176.798 174.600 0.226 0.000 1.035 73 S CA 2.130 60.462 58.200 0.219 0.000 1.031 73 S CB -0.539 62.726 63.200 0.108 0.000 0.928 73 S HN 0.683 nan 8.310 nan 0.000 0.433 74 E N 0.209 120.501 120.200 0.153 0.000 2.265 74 E HA -0.166 4.184 4.350 -0.000 0.000 0.196 74 E C 1.919 178.597 176.600 0.130 0.000 0.996 74 E CA 1.098 57.569 56.400 0.119 0.000 0.832 74 E CB -0.086 29.660 29.700 0.077 0.000 0.756 74 E HN 0.689 nan 8.360 nan 0.000 0.491 75 E N -0.352 119.941 120.200 0.155 0.000 2.028 75 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 75 E C 1.795 178.454 176.600 0.099 0.000 0.988 75 E CA 1.336 57.791 56.400 0.092 0.000 0.799 75 E CB -0.285 29.457 29.700 0.071 0.000 0.755 75 E HN 0.432 nan 8.360 nan 0.000 0.447 76 W N 1.529 122.898 121.300 0.114 0.000 2.338 76 W HA -0.145 4.515 4.660 -0.000 0.000 0.304 76 W C 2.551 179.087 176.519 0.029 0.000 1.212 76 W CA 1.021 58.395 57.345 0.048 0.000 1.264 76 W CB -0.619 28.803 29.460 -0.063 0.000 1.142 76 W HN -0.082 nan 8.180 nan 0.000 0.512 77 S N -0.011 115.837 115.700 0.247 0.000 2.559 77 S HA -0.117 4.353 4.470 -0.000 0.000 0.250 77 S C 1.147 175.808 174.600 0.102 0.000 0.977 77 S CA 1.100 59.385 58.200 0.142 0.000 0.958 77 S CB -0.320 62.943 63.200 0.104 0.000 0.751 77 S HN 0.158 nan 8.310 nan 0.000 0.534 78 K N -0.694 119.764 120.400 0.097 0.000 2.644 78 K HA 0.286 4.606 4.320 -0.000 0.000 0.198 78 K C 1.059 177.686 176.600 0.045 0.000 1.113 78 K CA 0.434 56.755 56.287 0.058 0.000 1.073 78 K CB 0.352 32.875 32.500 0.038 0.000 0.811 78 K HN 0.237 nan 8.250 nan 0.000 0.508 79 G N 1.301 110.143 108.800 0.070 0.000 2.230 79 G HA2 -0.362 3.597 3.960 -0.000 0.000 0.270 79 G HA3 -0.362 3.597 3.960 -0.000 0.000 0.270 79 G C 1.134 176.021 174.900 -0.022 0.000 0.987 79 G CA 1.064 46.190 45.100 0.044 0.000 0.664 79 G HN 0.178 nan 8.290 nan 0.000 0.539 80 V N -0.073 119.822 119.914 -0.031 0.000 2.546 80 V HA -0.014 4.106 4.120 -0.000 0.000 0.254 80 V C 1.820 177.822 176.094 -0.154 0.000 1.076 80 V CA 1.544 63.799 62.300 -0.074 0.000 1.087 80 V CB -0.722 31.067 31.823 -0.057 0.000 0.674 80 V HN 0.476 nan 8.190 nan 0.000 0.470 81 F N 0.043 119.751 119.950 -0.404 0.000 2.668 81 F HA 0.205 4.732 4.527 -0.000 0.000 0.338 81 F C 0.260 175.801 175.800 -0.432 0.000 1.194 81 F CA 0.901 58.531 58.000 -0.616 0.000 1.385 81 F CB 0.559 38.698 39.000 -1.436 0.000 1.088 81 F HN -0.158 nan 8.300 nan 0.000 0.624 82 V N 5.852 125.280 119.914 -0.811 0.000 2.610 82 V HA 0.471 4.591 4.120 -0.000 0.000 0.298 82 V C -1.522 174.407 176.094 -0.275 0.000 1.067 82 V CA -0.585 61.484 62.300 -0.386 0.000 0.894 82 V CB 1.592 33.208 31.823 -0.344 0.000 1.015 82 V HN 0.598 nan 8.190 nan 0.000 0.432 83 V N 7.776 127.703 119.914 0.023 0.000 2.567 83 V HA 0.591 4.711 4.120 -0.000 0.000 0.289 83 V C 0.326 176.442 176.094 0.036 0.000 1.049 83 V CA -0.654 61.723 62.300 0.129 0.000 0.969 83 V CB 1.700 33.638 31.823 0.192 0.000 0.995 83 V HN 0.848 nan 8.190 nan 0.000 0.471 84 K N 2.677 123.103 120.400 0.043 0.000 2.240 84 K HA 0.519 4.839 4.320 -0.000 0.000 0.237 84 K C 0.831 177.448 176.600 0.028 0.000 1.027 84 K CA -0.263 56.033 56.287 0.015 0.000 0.937 84 K CB 0.542 33.047 32.500 0.008 0.000 1.171 84 K HN 0.624 nan 8.250 nan 0.000 0.479 85 Q N -0.084 119.726 119.800 0.016 0.000 2.322 85 Q HA 0.028 4.368 4.340 -0.000 0.000 0.203 85 Q C 1.232 177.244 176.000 0.019 0.000 0.923 85 Q CA 1.000 56.814 55.803 0.017 0.000 0.949 85 Q CB -0.526 nan 28.738 nan 0.000 1.039 85 Q HN 0.628 nan 8.270 nan 0.000 0.496 86 S N -1.726 113.988 115.700 0.025 0.000 2.526 86 S HA 0.115 4.585 4.470 -0.000 0.000 0.220 86 S C -0.028 174.593 174.600 0.035 0.000 1.017 86 S CA -0.124 58.091 58.200 0.025 0.000 0.930 86 S CB 0.174 63.387 63.200 0.022 0.000 0.856 86 S HN 0.498 nan 8.310 nan 0.000 0.497 87 D N 2.859 123.289 120.400 0.051 0.000 2.348 87 D HA 0.212 4.852 4.640 -0.000 0.000 0.259 87 D C 0.555 176.881 176.300 0.044 0.000 1.296 87 D CA 0.183 54.224 54.000 0.068 0.000 0.931 87 D CB 1.273 42.141 40.800 0.112 0.000 1.067 87 D HN 0.244 nan 8.370 nan 0.000 0.503 88 E N 1.438 121.657 120.200 0.030 0.000 2.031 88 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 88 E C 0.674 177.269 176.600 -0.009 0.000 0.994 88 E CA 1.312 57.715 56.400 0.005 0.000 0.800 88 E CB 0.240 29.939 29.700 -0.002 0.000 0.752 88 E HN 0.644 nan 8.360 nan 0.000 0.447 89 D N -2.177 118.232 120.400 0.015 0.000 2.664 89 D HA 0.028 4.668 4.640 -0.000 0.000 0.292 89 D C 0.884 177.230 176.300 0.075 0.000 1.214 89 D CA -0.666 53.343 54.000 0.015 0.000 0.932 89 D CB 0.461 41.261 40.800 -0.000 0.000 1.420 89 D HN -0.059 nan 8.370 nan 0.000 0.471 90 I N 0.609 121.219 120.570 0.067 0.000 2.335 90 I HA -0.254 3.916 4.170 -0.000 0.000 0.251 90 I C 1.884 178.023 176.117 0.037 0.000 1.129 90 I CA 1.851 63.157 61.300 0.010 0.000 1.402 90 I CB -0.615 37.310 38.000 -0.126 0.000 1.069 90 I HN 0.387 nan 8.210 nan 0.000 0.424 91 H N 0.066 119.113 119.070 -0.038 0.000 2.253 91 H HA -0.166 4.390 4.556 -0.000 0.000 0.296 91 H C 2.448 177.784 175.328 0.013 0.000 1.074 91 H CA 2.690 58.724 56.048 -0.023 0.000 1.263 91 H CB -1.225 28.520 29.762 -0.029 0.000 1.363 91 H HN 0.463 nan 8.280 nan 0.000 0.489 92 T N -1.606 113.051 114.554 0.171 0.000 2.833 92 T HA -0.070 4.280 4.350 -0.000 0.000 0.269 92 T C 2.292 177.075 174.700 0.138 0.000 1.054 92 T CA 1.088 63.260 62.100 0.120 0.000 1.135 92 T CB -0.671 68.248 68.868 0.085 0.000 0.869 92 T HN 0.401 nan 8.240 nan 0.000 0.466 93 A N 2.346 125.264 122.820 0.164 0.000 1.940 93 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 93 A C 2.291 180.081 177.584 0.343 0.000 1.176 93 A CA 1.892 54.083 52.037 0.257 0.000 0.631 93 A CB -0.947 18.225 19.000 0.287 0.000 0.814 93 A HN 0.758 nan 8.150 nan 0.000 0.446 94 N N -1.468 117.372 118.700 0.234 0.000 2.278 94 N HA -0.071 4.669 4.740 -0.000 0.000 0.181 94 N C 1.809 177.424 175.510 0.176 0.000 1.023 94 N CA 0.802 53.996 53.050 0.240 0.000 0.862 94 N CB -0.129 38.423 38.487 0.108 0.000 1.003 94 N HN 0.634 nan 8.380 nan 0.000 0.431 95 E N 1.573 121.846 120.200 0.121 0.000 2.267 95 E HA -0.207 4.143 4.350 -0.000 0.000 0.197 95 E C 2.035 178.692 176.600 0.096 0.000 0.998 95 E CA 0.788 57.245 56.400 0.094 0.000 0.830 95 E CB 0.216 29.963 29.700 0.079 0.000 0.751 95 E HN 0.228 nan 8.360 nan 0.000 0.491 96 R N 0.069 120.640 120.500 0.118 0.000 2.052 96 R HA -0.077 4.263 4.340 -0.000 0.000 0.224 96 R C 2.450 178.805 176.300 0.091 0.000 1.149 96 R CA 1.113 57.270 56.100 0.096 0.000 0.962 96 R CB -0.170 30.190 30.300 0.101 0.000 0.856 96 R HN -0.059 nan 8.270 nan 0.000 0.433 97 R N 1.271 121.854 120.500 0.139 0.000 2.105 97 R HA -0.103 4.237 4.340 -0.000 0.000 0.239 97 R C 2.069 178.424 176.300 0.090 0.000 1.135 97 R CA 1.378 57.536 56.100 0.097 0.000 0.967 97 R CB -1.089 29.321 30.300 0.184 0.000 0.861 97 R HN 0.364 nan 8.270 nan 0.000 0.442 98 L N 0.323 121.618 121.223 0.119 0.000 2.093 98 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 98 L C 1.766 178.671 176.870 0.060 0.000 1.085 98 L CA 2.001 56.896 54.840 0.092 0.000 0.755 98 L CB -0.851 41.265 42.059 0.095 0.000 0.904 98 L HN 0.216 nan 8.230 nan 0.000 0.435 99 K N 1.449 121.883 120.400 0.056 0.000 1.965 99 K HA -0.199 4.121 4.320 -0.000 0.000 0.214 99 K C 1.115 177.730 176.600 0.026 0.000 1.046 99 K CA 1.744 58.054 56.287 0.039 0.000 0.944 99 K CB -0.475 32.048 32.500 0.037 0.000 0.726 99 K HN 0.531 nan 8.250 nan 0.000 0.441 100 E N 0.873 121.084 120.200 0.019 0.000 2.778 100 E HA 0.010 4.360 4.350 -0.000 0.000 0.318 100 E C 0.374 176.972 176.600 -0.002 0.000 1.309 100 E CA 0.139 56.540 56.400 0.001 0.000 1.419 100 E CB -0.070 29.622 29.700 -0.013 0.000 1.150 100 E HN 0.293 nan 8.360 nan 0.000 0.492 101 L N 0.972 122.201 121.223 0.008 0.000 1.589 101 L HA 0.161 4.501 4.340 -0.000 0.000 0.161 101 L C 1.059 177.937 176.870 0.013 0.000 1.300 101 L CA 0.450 55.295 54.840 0.009 0.000 1.196 101 L CB 0.152 42.224 42.059 0.023 0.000 2.497 101 L HN 0.441 nan 8.230 nan 0.000 0.492 102 I N -2.233 118.349 120.570 0.020 0.000 4.139 102 I HA 0.778 4.948 4.170 -0.000 0.000 0.335 102 I C 0.867 176.994 176.117 0.016 0.000 1.327 102 I CA 0.296 61.607 61.300 0.018 0.000 1.112 102 I CB 0.570 38.584 38.000 0.024 0.000 1.058 102 I HN 0.314 nan 8.210 nan 0.000 0.396 103 G N 2.926 111.735 108.800 0.016 0.000 2.525 103 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.685 103 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.685 103 G C -0.070 174.840 174.900 0.017 0.000 1.290 103 G CA 0.006 45.114 45.100 0.014 0.000 0.915 103 G HN 0.399 nan 8.290 nan 0.000 0.548 104 D N -0.640 119.769 120.400 0.014 0.000 2.389 104 D HA -0.096 4.544 4.640 -0.000 0.000 0.221 104 D C 1.959 178.270 176.300 0.018 0.000 0.974 104 D CA 1.020 55.030 54.000 0.016 0.000 0.923 104 D CB 0.000 40.808 40.800 0.013 0.000 0.892 104 D HN 0.690 nan 8.370 nan 0.000 0.518 105 I N -0.583 119.997 120.570 0.018 0.000 3.550 105 I HA 0.046 4.216 4.170 -0.000 0.000 0.295 105 I C 1.659 177.791 176.117 0.025 0.000 1.291 105 I CA 0.127 61.438 61.300 0.018 0.000 1.298 105 I CB -0.022 37.987 38.000 0.015 0.000 1.026 105 I HN 0.040 nan 8.210 nan 0.000 0.491 106 A N 0.149 122.986 122.820 0.029 0.000 2.072 106 A HA 0.093 4.413 4.320 -0.000 0.000 0.216 106 A C 2.227 179.836 177.584 0.042 0.000 1.156 106 A CA 0.963 53.023 52.037 0.038 0.000 0.701 106 A CB -0.804 18.220 19.000 0.041 0.000 0.816 106 A HN 0.477 nan 8.150 nan 0.000 0.458 107 G N 0.126 108.947 108.800 0.036 0.000 2.471 107 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.219 107 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.219 107 G C 1.503 176.429 174.900 0.043 0.000 1.125 107 G CA 0.826 45.949 45.100 0.037 0.000 0.775 107 G HN 0.576 nan 8.290 nan 0.000 0.548 108 K N -0.446 119.978 120.400 0.039 0.000 2.283 108 K HA 0.052 4.372 4.320 -0.000 0.000 0.202 108 K C 2.168 178.807 176.600 0.064 0.000 1.048 108 K CA 0.328 56.639 56.287 0.040 0.000 0.948 108 K CB -0.111 32.403 32.500 0.023 0.000 0.742 108 K HN 0.271 nan 8.250 nan 0.000 0.458 109 L N 1.594 122.864 121.223 0.079 0.000 2.141 109 L HA -0.113 4.227 4.340 -0.000 0.000 0.209 109 L C 1.381 178.376 176.870 0.208 0.000 1.094 109 L CA 1.677 56.596 54.840 0.133 0.000 0.763 109 L CB -0.425 41.701 42.059 0.112 0.000 0.908 109 L HN 0.159 nan 8.230 nan 0.000 0.437 110 N N -1.390 117.388 118.700 0.129 0.000 2.434 110 N HA -0.031 4.709 4.740 -0.000 0.000 0.196 110 N C -0.412 175.169 175.510 0.117 0.000 1.183 110 N CA -0.088 53.019 53.050 0.096 0.000 0.849 110 N CB 0.095 38.610 38.487 0.047 0.000 0.992 110 N HN 0.277 nan 8.380 nan 0.000 0.460 111 T N 0.095 114.750 114.554 0.167 0.000 2.784 111 T HA 0.199 4.549 4.350 -0.000 0.000 0.291 111 T C 1.160 175.978 174.700 0.197 0.000 0.942 111 T CA 0.613 62.795 62.100 0.136 0.000 1.161 111 T CB 0.853 69.774 68.868 0.090 0.000 0.885 111 T HN 0.432 nan 8.240 nan 0.000 0.534 112 G N 3.129 112.000 108.800 0.117 0.000 2.212 112 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.266 112 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.266 112 G C 0.304 175.252 174.900 0.081 0.000 0.978 112 G CA 0.395 45.564 45.100 0.115 0.000 0.632 112 G HN 0.783 nan 8.290 nan 0.000 0.537 113 R N 0.262 120.771 120.500 0.015 0.000 2.607 113 R HA 0.712 5.052 4.340 -0.000 0.000 0.261 113 R C -0.200 176.029 176.300 -0.119 0.000 1.051 113 R CA 0.281 56.278 56.100 -0.170 0.000 1.110 113 R CB 1.340 31.345 30.300 -0.492 0.000 1.158 113 R HN 0.362 nan 8.270 nan 0.000 0.543 114 S N -0.328 115.284 115.700 -0.146 0.000 2.588 114 S HA 0.349 4.819 4.470 -0.000 0.000 0.275 114 S C 0.329 174.851 174.600 -0.131 0.000 1.130 114 S CA -0.866 57.258 58.200 -0.127 0.000 0.855 114 S CB 1.657 64.778 63.200 -0.130 0.000 1.116 114 S HN 0.663 nan 8.310 nan 0.000 0.472 115 R N 2.377 122.790 120.500 -0.146 0.000 2.189 115 R HA 0.027 4.367 4.340 -0.000 0.000 0.223 115 R C 1.518 177.710 176.300 -0.180 0.000 1.092 115 R CA 1.245 57.256 56.100 -0.147 0.000 0.989 115 R CB -1.233 28.928 30.300 -0.232 0.000 0.876 115 R HN 0.724 nan 8.270 nan 0.000 0.457 116 N N 1.117 119.656 118.700 -0.269 0.000 2.149 116 N HA -0.162 4.578 4.740 -0.000 0.000 0.188 116 N C 0.872 176.326 175.510 -0.094 0.000 1.019 116 N CA 1.465 54.341 53.050 -0.290 0.000 0.857 116 N CB -0.057 38.207 38.487 -0.372 0.000 0.997 116 N HN 0.345 nan 8.380 nan 0.000 0.426 117 D N -0.204 120.144 120.400 -0.087 0.000 2.379 117 D HA -0.063 4.577 4.640 -0.000 0.000 0.208 117 D C 1.478 177.746 176.300 -0.054 0.000 1.065 117 D CA 0.268 54.233 54.000 -0.058 0.000 0.848 117 D CB -0.132 40.621 40.800 -0.079 0.000 0.949 117 D HN 0.253 nan 8.370 nan 0.000 0.509 118 Q N 0.246 120.022 119.800 -0.039 0.000 2.204 118 Q HA 0.031 4.371 4.340 -0.000 0.000 0.198 118 Q C 1.902 177.970 176.000 0.112 0.000 0.946 118 Q CA 0.413 56.220 55.803 0.006 0.000 0.859 118 Q CB 0.414 29.173 28.738 0.035 0.000 0.946 118 Q HN 0.118 nan 8.270 nan 0.000 0.474 119 V N 0.125 120.124 119.914 0.142 0.000 2.667 119 V HA -0.113 4.007 4.120 -0.000 0.000 0.252 119 V C 1.941 178.117 176.094 0.137 0.000 1.065 119 V CA 1.298 63.704 62.300 0.176 0.000 1.083 119 V CB 0.461 32.337 31.823 0.088 0.000 0.692 119 V HN 0.354 nan 8.190 nan 0.000 0.468 120 V N -0.679 119.298 119.914 0.106 0.000 2.788 120 V HA -0.126 3.994 4.120 -0.000 0.000 0.251 120 V C 2.376 178.485 176.094 0.024 0.000 1.068 120 V CA 2.544 64.910 62.300 0.109 0.000 1.090 120 V CB -0.082 31.808 31.823 0.113 0.000 0.710 120 V HN 0.676 nan 8.190 nan 0.000 0.467 121 T N 0.216 114.782 114.554 0.021 0.000 2.777 121 T HA -0.141 4.209 4.350 -0.000 0.000 0.266 121 T C 1.551 176.313 174.700 0.103 0.000 1.040 121 T CA 1.749 63.875 62.100 0.044 0.000 1.141 121 T CB -0.377 68.497 68.868 0.011 0.000 0.868 121 T HN 0.522 nan 8.240 nan 0.000 0.444 122 D N 1.048 121.493 120.400 0.075 0.000 2.123 122 D HA -0.032 4.608 4.640 -0.000 0.000 0.196 122 D C 2.063 178.442 176.300 0.133 0.000 0.992 122 D CA 0.659 54.702 54.000 0.072 0.000 0.833 122 D CB -0.432 40.396 40.800 0.046 0.000 0.954 122 D HN 0.246 nan 8.370 nan 0.000 0.455 123 L N 0.371 121.683 121.223 0.148 0.000 2.056 123 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 123 L C 2.183 179.156 176.870 0.172 0.000 1.078 123 L CA 1.273 56.246 54.840 0.221 0.000 0.749 123 L CB -0.027 42.201 42.059 0.282 0.000 0.901 123 L HN 0.007 nan 8.230 nan 0.000 0.433 124 K N -0.360 120.035 120.400 -0.009 0.000 2.097 124 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 124 K C 2.039 178.605 176.600 -0.057 0.000 1.050 124 K CA 0.936 57.157 56.287 -0.110 0.000 0.938 124 K CB -0.076 32.315 32.500 -0.181 0.000 0.718 124 K HN 0.267 nan 8.250 nan 0.000 0.442 125 L N 0.130 121.352 121.223 -0.002 0.000 2.017 125 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 125 L C 2.429 179.272 176.870 -0.045 0.000 1.073 125 L CA 1.208 55.988 54.840 -0.101 0.000 0.745 125 L CB -0.420 41.619 42.059 -0.033 0.000 0.894 125 L HN 0.127 nan 8.230 nan 0.000 0.432 126 F N 0.554 120.465 119.950 -0.066 0.000 2.134 126 F HA -0.250 4.277 4.527 -0.000 0.000 0.299 126 F C 2.420 178.183 175.800 -0.062 0.000 1.097 126 F CA 1.628 59.604 58.000 -0.040 0.000 1.264 126 F CB -0.214 38.816 39.000 0.050 0.000 1.001 126 F HN -0.049 nan 8.300 nan 0.000 0.479 127 M N 0.013 119.487 119.600 -0.209 0.000 2.175 127 M HA -0.166 4.313 4.480 -0.000 0.000 0.264 127 M C 2.320 178.421 176.300 -0.331 0.000 1.063 127 M CA 1.648 56.728 55.300 -0.367 0.000 1.119 127 M CB -0.495 31.992 32.600 -0.188 0.000 1.377 127 M HN 0.100 nan 8.290 nan 0.000 0.415 128 K N 0.890 121.143 120.400 -0.245 0.000 2.057 128 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 128 K C 1.385 177.842 176.600 -0.238 0.000 1.049 128 K CA 1.626 57.777 56.287 -0.227 0.000 0.931 128 K CB -0.088 32.264 32.500 -0.247 0.000 0.714 128 K HN 0.459 nan 8.250 nan 0.000 0.440 129 N N -0.213 118.329 118.700 -0.264 0.000 2.080 129 N HA -0.109 4.631 4.740 -0.000 0.000 0.189 129 N C 1.800 177.143 175.510 -0.277 0.000 1.036 129 N CA 1.387 54.291 53.050 -0.242 0.000 0.846 129 N CB -0.043 38.315 38.487 -0.215 0.000 1.015 129 N HN 0.070 nan 8.380 nan 0.000 0.423 130 S N 1.171 116.616 115.700 -0.425 0.000 2.368 130 S HA -0.030 4.440 4.470 -0.000 0.000 0.225 130 S C 1.974 176.440 174.600 -0.225 0.000 1.030 130 S CA 0.778 58.742 58.200 -0.393 0.000 0.999 130 S CB -0.266 62.549 63.200 -0.643 0.000 0.844 130 S HN 0.243 nan 8.310 nan 0.000 0.459 131 L N 1.130 122.220 121.223 -0.221 0.000 2.191 131 L HA -0.075 4.265 4.340 -0.000 0.000 0.212 131 L C 2.380 179.182 176.870 -0.113 0.000 1.103 131 L CA 0.724 55.491 54.840 -0.122 0.000 0.769 131 L CB -0.511 41.463 42.059 -0.141 0.000 0.908 131 L HN 0.276 nan 8.230 nan 0.000 0.438 132 S N -0.108 115.507 115.700 -0.142 0.000 2.368 132 S HA -0.080 4.390 4.470 -0.000 0.000 0.224 132 S C 1.953 176.468 174.600 -0.141 0.000 1.029 132 S CA 0.786 58.908 58.200 -0.128 0.000 0.988 132 S CB -0.017 63.104 63.200 -0.131 0.000 0.838 132 S HN 0.218 nan 8.310 nan 0.000 0.462 133 I N 1.963 122.435 120.570 -0.165 0.000 2.142 133 I HA -0.157 4.013 4.170 -0.000 0.000 0.240 133 I C 2.212 178.169 176.117 -0.267 0.000 1.078 133 I CA 1.396 62.554 61.300 -0.237 0.000 1.343 133 I CB -1.382 36.511 38.000 -0.179 0.000 1.046 133 I HN 0.268 nan 8.210 nan 0.000 0.405 134 I N 0.405 120.926 120.570 -0.082 0.000 2.163 134 I HA -0.344 3.826 4.170 -0.000 0.000 0.243 134 I C 2.873 179.023 176.117 0.056 0.000 1.085 134 I CA 1.653 62.990 61.300 0.062 0.000 1.347 134 I CB -0.427 37.688 38.000 0.191 0.000 1.044 134 I HN 0.239 nan 8.210 nan 0.000 0.408 135 S N 0.211 115.911 115.700 0.001 0.000 2.365 135 S HA -0.248 4.222 4.470 -0.000 0.000 0.225 135 S C 2.082 176.681 174.600 -0.002 0.000 1.039 135 S CA 2.481 60.680 58.200 -0.001 0.000 1.033 135 S CB -0.422 62.749 63.200 -0.047 0.000 0.887 135 S HN 0.462 nan 8.310 nan 0.000 0.447 136 T N 0.991 115.505 114.554 -0.068 0.000 2.652 136 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 136 T C 1.486 176.210 174.700 0.040 0.000 1.039 136 T CA 1.960 64.023 62.100 -0.062 0.000 1.153 136 T CB -0.735 68.035 68.868 -0.163 0.000 0.863 136 T HN 0.687 nan 8.240 nan 0.000 0.428 137 H N 0.213 119.301 119.070 0.031 0.000 2.387 137 H HA 0.058 4.614 4.556 -0.000 0.000 0.299 137 H C 2.401 177.754 175.328 0.042 0.000 1.090 137 H CA 0.765 56.834 56.048 0.035 0.000 1.332 137 H CB -0.094 29.692 29.762 0.041 0.000 1.386 137 H HN 0.140 nan 8.280 nan 0.000 0.516 138 L N 0.310 121.643 121.223 0.182 0.000 1.976 138 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 138 L C 1.824 178.751 176.870 0.094 0.000 1.071 138 L CA 1.119 56.040 54.840 0.135 0.000 0.746 138 L CB -0.117 42.035 42.059 0.154 0.000 0.890 138 L HN 0.244 nan 8.230 nan 0.000 0.432 139 L N -0.136 121.133 121.223 0.077 0.000 2.131 139 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 139 L C 2.472 179.372 176.870 0.050 0.000 1.092 139 L CA 1.531 56.402 54.840 0.052 0.000 0.759 139 L CB -1.000 41.080 42.059 0.035 0.000 0.903 139 L HN 0.384 nan 8.230 nan 0.000 0.435 140 Q N -0.069 119.772 119.800 0.068 0.000 2.084 140 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 140 Q C 2.248 178.276 176.000 0.046 0.000 0.978 140 Q CA 1.710 57.551 55.803 0.063 0.000 0.844 140 Q CB -0.449 28.345 28.738 0.094 0.000 0.898 140 Q HN 0.537 nan 8.270 nan 0.000 0.426 141 L N -0.387 120.866 121.223 0.049 0.000 1.994 141 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 141 L C 2.208 179.088 176.870 0.017 0.000 1.071 141 L CA 1.526 56.383 54.840 0.028 0.000 0.745 141 L CB -0.284 41.793 42.059 0.029 0.000 0.892 141 L HN 0.371 nan 8.230 nan 0.000 0.431 142 I N -0.018 120.565 120.570 0.022 0.000 2.264 142 I HA -0.359 3.811 4.170 -0.000 0.000 0.248 142 I C 2.561 178.680 176.117 0.004 0.000 1.111 142 I CA 1.574 62.879 61.300 0.008 0.000 1.382 142 I CB -0.418 37.592 38.000 0.016 0.000 1.060 142 I HN 0.312 nan 8.210 nan 0.000 0.418 143 K N 0.471 120.879 120.400 0.014 0.000 2.211 143 K HA -0.119 4.201 4.320 -0.000 0.000 0.203 143 K C 1.977 178.584 176.600 0.012 0.000 1.050 143 K CA 1.421 57.715 56.287 0.013 0.000 0.945 143 K CB 0.063 32.574 32.500 0.019 0.000 0.732 143 K HN 0.262 nan 8.250 nan 0.000 0.451 144 T N 1.388 115.950 114.554 0.014 0.000 2.770 144 T HA -0.047 4.303 4.350 -0.000 0.000 0.263 144 T C 1.747 176.453 174.700 0.009 0.000 1.039 144 T CA 0.943 63.053 62.100 0.017 0.000 1.142 144 T CB -0.112 68.769 68.868 0.020 0.000 0.868 144 T HN 0.113 nan 8.240 nan 0.000 0.435 145 L N 0.901 122.119 121.223 -0.008 0.000 2.012 145 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 145 L C 2.691 179.537 176.870 -0.039 0.000 1.073 145 L CA 1.110 55.929 54.840 -0.035 0.000 0.748 145 L CB -0.767 41.257 42.059 -0.060 0.000 0.891 145 L HN 0.141 nan 8.230 nan 0.000 0.431 146 V N -0.556 119.341 119.914 -0.028 0.000 2.295 146 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 146 V C 2.438 178.527 176.094 -0.007 0.000 1.049 146 V CA 1.866 64.151 62.300 -0.024 0.000 1.024 146 V CB -0.467 31.346 31.823 -0.015 0.000 0.648 146 V HN 0.391 nan 8.190 nan 0.000 0.447 147 E N 0.082 120.285 120.200 0.005 0.000 2.268 147 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 147 E C 2.235 178.852 176.600 0.028 0.000 0.995 147 E CA 1.050 57.460 56.400 0.017 0.000 0.836 147 E CB -0.207 29.506 29.700 0.021 0.000 0.763 147 E HN 0.514 nan 8.360 nan 0.000 0.491 148 R N -0.931 119.586 120.500 0.028 0.000 2.140 148 R HA 0.177 4.517 4.340 -0.000 0.000 0.213 148 R C 1.944 178.274 176.300 0.050 0.000 1.059 148 R CA 0.911 57.045 56.100 0.056 0.000 1.000 148 R CB -0.110 30.235 30.300 0.076 0.000 0.910 148 R HN 0.136 nan 8.270 nan 0.000 0.455 149 A N 0.329 123.148 122.820 -0.002 0.000 2.121 149 A HA 0.024 4.344 4.320 -0.000 0.000 0.218 149 A C 2.073 179.668 177.584 0.019 0.000 1.154 149 A CA 1.344 53.368 52.037 -0.022 0.000 0.679 149 A CB -0.376 18.584 19.000 -0.067 0.000 0.795 149 A HN 0.492 nan 8.150 nan 0.000 0.458 150 A N 0.481 123.317 122.820 0.027 0.000 1.935 150 A HA 0.110 4.430 4.320 -0.000 0.000 0.214 150 A C 1.979 179.591 177.584 0.047 0.000 1.178 150 A CA 1.095 53.151 52.037 0.032 0.000 0.640 150 A CB -0.507 18.507 19.000 0.024 0.000 0.825 150 A HN 0.854 nan 8.150 nan 0.000 0.447 151 I N -3.788 116.817 120.570 0.058 0.000 3.419 151 I HA 0.142 4.312 4.170 -0.000 0.000 0.286 151 I C 0.707 176.877 176.117 0.087 0.000 1.268 151 I CA 0.934 62.273 61.300 0.065 0.000 1.414 151 I CB -0.031 38.006 38.000 0.062 0.000 1.074 151 I HN 0.171 nan 8.210 nan 0.000 0.457 152 E N 1.024 121.297 120.200 0.122 0.000 2.789 152 E HA 0.253 4.603 4.350 -0.000 0.000 0.208 152 E C 1.478 178.182 176.600 0.173 0.000 0.988 152 E CA -0.128 56.377 56.400 0.175 0.000 1.092 152 E CB 0.767 30.658 29.700 0.318 0.000 1.066 152 E HN 0.492 nan 8.360 nan 0.000 0.465 153 I N 1.120 121.756 120.570 0.110 0.000 2.850 153 I HA -0.230 3.939 4.170 -0.000 0.000 0.266 153 I C 0.841 177.012 176.117 0.089 0.000 1.257 153 I CA 1.244 62.598 61.300 0.090 0.000 1.465 153 I CB 0.306 38.342 38.000 0.060 0.000 1.091 153 I HN 0.061 nan 8.210 nan 0.000 0.467 154 D N 0.171 120.621 120.400 0.084 0.000 2.327 154 D HA 0.069 4.709 4.640 -0.000 0.000 0.205 154 D C 0.847 177.184 176.300 0.062 0.000 0.989 154 D CA 0.315 54.353 54.000 0.064 0.000 0.873 154 D CB 0.177 41.004 40.800 0.044 0.000 0.955 154 D HN 0.122 nan 8.370 nan 0.000 0.515 155 V N 2.278 122.243 119.914 0.085 0.000 2.673 155 V HA 0.014 4.134 4.120 -0.000 0.000 0.303 155 V C 0.619 176.756 176.094 0.071 0.000 1.046 155 V CA 0.424 62.754 62.300 0.049 0.000 1.126 155 V CB 0.733 32.584 31.823 0.048 0.000 0.934 155 V HN -0.009 nan 8.190 nan 0.000 0.487 156 I N 5.951 126.510 120.570 -0.018 0.000 2.533 156 I HA 0.629 4.799 4.170 -0.000 0.000 0.290 156 I C -0.351 175.685 176.117 -0.136 0.000 1.056 156 I CA -0.471 60.816 61.300 -0.020 0.000 1.057 156 I CB 1.779 39.780 38.000 0.001 0.000 1.240 156 I HN 0.602 nan 8.210 nan 0.000 0.423 157 L N 4.562 125.710 121.223 -0.125 0.000 2.389 157 L HA 0.824 5.164 4.340 -0.000 0.000 0.249 157 L C -2.997 173.792 176.870 -0.135 0.000 1.083 157 L CA -2.267 52.414 54.840 -0.265 0.000 0.876 157 L CB 1.849 43.599 42.059 -0.515 0.000 1.489 157 L HN 0.148 nan 8.230 nan 0.000 0.412 158 P HA 0.291 nan 4.420 nan 0.000 0.271 158 P C -0.665 176.562 177.300 -0.123 0.000 1.218 158 P CA 0.026 63.038 63.100 -0.146 0.000 0.780 158 P CB 0.930 32.502 31.700 -0.214 0.000 0.901 159 G N 1.207 109.892 108.800 -0.192 0.000 2.400 159 G HA2 0.570 4.530 3.960 -0.000 0.000 0.333 159 G HA3 0.570 4.530 3.960 -0.000 0.000 0.333 159 G C -1.663 173.125 174.900 -0.187 0.000 1.143 159 G CA -0.236 44.851 45.100 -0.022 0.000 0.914 159 G HN 0.310 nan 8.290 nan 0.000 0.480 160 Y N -0.270 120.131 120.300 0.168 0.000 2.549 160 Y HA 0.679 5.229 4.550 -0.000 0.000 0.339 160 Y C 0.563 176.534 175.900 0.118 0.000 1.053 160 Y CA -0.815 57.380 58.100 0.159 0.000 1.105 160 Y CB 2.829 41.418 38.460 0.215 0.000 1.258 160 Y HN 0.610 nan 8.280 nan 0.000 0.478 161 T N -0.008 114.702 114.554 0.260 0.000 3.186 161 T HA 0.338 4.688 4.350 -0.000 0.000 0.320 161 T C -1.045 173.750 174.700 0.159 0.000 0.955 161 T CA -1.099 61.099 62.100 0.164 0.000 1.030 161 T CB 0.117 69.046 68.868 0.102 0.000 1.013 161 T HN 0.717 nan 8.240 nan 0.000 0.454 162 N N 2.556 121.340 118.700 0.141 0.000 2.771 162 N HA -0.137 4.602 4.740 -0.000 0.000 0.249 162 N C 0.418 176.020 175.510 0.152 0.000 1.069 162 N CA 0.586 53.703 53.050 0.112 0.000 0.688 162 N CB -1.454 37.085 38.487 0.087 0.000 0.928 162 N HN 0.992 nan 8.380 nan 0.000 0.551 163 L N -2.070 119.267 121.223 0.190 0.000 3.941 163 L HA -0.305 4.035 4.340 -0.000 0.000 0.455 163 L C -0.151 176.943 176.870 0.373 0.000 1.179 163 L CA 1.472 56.453 54.840 0.235 0.000 0.782 163 L CB -0.690 41.430 42.059 0.103 0.000 1.679 163 L HN 0.366 nan 8.230 nan 0.000 0.871 164 Q N 0.244 120.308 119.800 0.439 0.000 2.285 164 Q HA 0.331 4.671 4.340 -0.000 0.000 0.269 164 Q C -0.189 175.916 176.000 0.176 0.000 1.030 164 Q CA -0.702 55.283 55.803 0.303 0.000 0.788 164 Q CB 1.991 30.824 28.738 0.159 0.000 1.266 164 Q HN 0.149 nan 8.270 nan 0.000 0.438 165 K N 1.353 121.759 120.400 0.011 0.000 2.441 165 K HA -0.032 4.288 4.320 -0.000 0.000 0.273 165 K C 0.545 177.057 176.600 -0.146 0.000 1.090 165 K CA 0.438 56.545 56.287 -0.301 0.000 1.158 165 K CB 0.387 32.792 32.500 -0.159 0.000 0.847 165 K HN 0.686 nan 8.250 nan 0.000 0.483 166 A N 4.408 127.119 122.820 -0.183 0.000 2.054 166 A HA 0.012 4.332 4.320 -0.000 0.000 0.221 166 A C 0.123 177.684 177.584 -0.039 0.000 1.587 166 A CA 0.611 52.612 52.037 -0.058 0.000 0.664 166 A CB 0.214 19.201 19.000 -0.022 0.000 1.248 166 A HN 0.782 nan 8.150 nan 0.000 0.527 167 Q N -1.226 118.545 119.800 -0.049 0.000 2.482 167 Q HA 0.520 4.860 4.340 -0.000 0.000 0.286 167 Q C -3.136 172.857 176.000 -0.011 0.000 1.007 167 Q CA -2.337 53.461 55.803 -0.008 0.000 0.801 167 Q CB 1.307 30.051 28.738 0.011 0.000 1.455 167 Q HN 0.043 nan 8.270 nan 0.000 0.398 168 P HA 0.093 nan 4.420 nan 0.000 0.264 168 P C -0.815 176.500 177.300 0.024 0.000 1.193 168 P CA 0.405 63.558 63.100 0.089 0.000 0.763 168 P CB 0.230 32.074 31.700 0.240 0.000 0.810 169 I N -0.776 119.806 120.570 0.020 0.000 3.095 169 I HA 0.593 4.763 4.170 -0.000 0.000 0.310 169 I C -0.709 175.444 176.117 0.061 0.000 1.196 169 I CA -1.760 59.548 61.300 0.014 0.000 0.985 169 I CB 2.547 40.554 38.000 0.011 0.000 1.250 169 I HN 0.023 nan 8.210 nan 0.000 0.446 170 R N 2.500 123.046 120.500 0.076 0.000 2.390 170 R HA 0.116 4.456 4.340 -0.000 0.000 0.291 170 R C 0.653 177.067 176.300 0.191 0.000 1.070 170 R CA -0.394 55.776 56.100 0.117 0.000 1.014 170 R CB 1.063 31.420 30.300 0.095 0.000 1.007 170 R HN 0.878 nan 8.270 nan 0.000 0.466 171 W N 3.245 124.551 121.300 0.009 0.000 2.313 171 W HA -0.273 4.387 4.660 -0.000 0.000 0.293 171 W C 0.505 177.118 176.519 0.157 0.000 1.216 171 W CA 1.652 59.027 57.345 0.049 0.000 1.223 171 W CB 0.144 29.598 29.460 -0.011 0.000 1.138 171 W HN 0.505 nan 8.180 nan 0.000 0.535 172 S N 0.267 116.007 115.700 0.067 0.000 2.428 172 S HA -0.245 4.225 4.470 -0.000 0.000 0.230 172 S C 1.496 176.051 174.600 -0.074 0.000 1.014 172 S CA 1.602 59.757 58.200 -0.074 0.000 0.957 172 S CB -0.356 62.852 63.200 0.013 0.000 0.784 172 S HN 0.311 nan 8.310 nan 0.000 0.499 173 Q N 0.549 120.348 119.800 -0.002 0.000 2.224 173 Q HA -0.002 4.338 4.340 -0.000 0.000 0.203 173 Q C 1.585 177.564 176.000 -0.036 0.000 0.970 173 Q CA 1.124 56.917 55.803 -0.016 0.000 0.865 173 Q CB -0.388 28.357 28.738 0.012 0.000 0.922 173 Q HN 0.561 nan 8.270 nan 0.000 0.445 174 F N -0.344 119.507 119.950 -0.166 0.000 2.098 174 F HA -0.011 4.516 4.527 -0.000 0.000 0.294 174 F C 1.392 177.035 175.800 -0.261 0.000 1.107 174 F CA 1.172 59.058 58.000 -0.189 0.000 1.234 174 F CB -0.188 38.729 39.000 -0.137 0.000 1.002 174 F HN 0.074 nan 8.300 nan 0.000 0.472 175 L N 0.061 120.990 121.223 -0.490 0.000 2.131 175 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 175 L C 2.370 179.043 176.870 -0.329 0.000 1.092 175 L CA 1.022 55.568 54.840 -0.490 0.000 0.759 175 L CB -0.739 41.065 42.059 -0.425 0.000 0.903 175 L HN 0.260 nan 8.230 nan 0.000 0.435 176 L N -0.610 120.456 121.223 -0.262 0.000 2.240 176 L HA -0.112 4.228 4.340 -0.000 0.000 0.211 176 L C 2.852 179.587 176.870 -0.224 0.000 1.106 176 L CA 1.056 55.784 54.840 -0.187 0.000 0.793 176 L CB -0.509 41.475 42.059 -0.125 0.000 0.927 176 L HN 0.362 nan 8.230 nan 0.000 0.446 177 S N -1.301 114.203 115.700 -0.328 0.000 2.382 177 S HA -0.220 4.250 4.470 -0.000 0.000 0.228 177 S C 1.893 176.235 174.600 -0.429 0.000 1.027 177 S CA 0.980 58.956 58.200 -0.374 0.000 0.991 177 S CB -0.573 62.360 63.200 -0.445 0.000 0.823 177 S HN 0.456 nan 8.310 nan 0.000 0.469 178 H N 1.488 120.347 119.070 -0.351 0.000 2.470 178 H HA 0.319 4.875 4.556 -0.000 0.000 0.289 178 H C 2.561 177.748 175.328 -0.235 0.000 1.033 178 H CA 1.022 56.878 56.048 -0.320 0.000 1.331 178 H CB -0.619 28.926 29.762 -0.363 0.000 1.414 178 H HN 0.601 nan 8.280 nan 0.000 0.545 179 A N 0.728 123.486 122.820 -0.103 0.000 1.873 179 A HA -0.082 4.238 4.320 -0.000 0.000 0.215 179 A C 2.765 180.302 177.584 -0.079 0.000 1.186 179 A CA 1.317 53.309 52.037 -0.076 0.000 0.616 179 A CB -0.769 18.184 19.000 -0.079 0.000 0.823 179 A HN 0.183 nan 8.150 nan 0.000 0.442 180 V N 0.069 119.918 119.914 -0.109 0.000 2.295 180 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 180 V C 3.069 179.099 176.094 -0.107 0.000 1.049 180 V CA 1.997 64.241 62.300 -0.094 0.000 1.024 180 V CB -1.320 30.441 31.823 -0.104 0.000 0.648 180 V HN 0.608 nan 8.190 nan 0.000 0.447 181 A N -0.285 122.418 122.820 -0.194 0.000 1.908 181 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 181 A C 2.209 179.700 177.584 -0.155 0.000 1.181 181 A CA 1.881 53.724 52.037 -0.322 0.000 0.627 181 A CB -0.562 18.000 19.000 -0.730 0.000 0.818 181 A HN 0.519 nan 8.150 nan 0.000 0.445 182 L N -0.041 121.139 121.223 -0.072 0.000 2.141 182 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 182 L C 2.941 179.858 176.870 0.079 0.000 1.094 182 L CA 1.617 56.497 54.840 0.067 0.000 0.763 182 L CB -0.761 41.324 42.059 0.043 0.000 0.908 182 L HN 0.670 nan 8.230 nan 0.000 0.437 183 T N -2.893 111.681 114.554 0.034 0.000 2.867 183 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 183 T C 1.964 176.699 174.700 0.060 0.000 1.057 183 T CA 0.715 62.838 62.100 0.039 0.000 1.136 183 T CB -0.245 68.630 68.868 0.011 0.000 0.874 183 T HN 0.283 nan 8.240 nan 0.000 0.466 184 R N 1.082 121.623 120.500 0.068 0.000 2.115 184 R HA -0.013 4.327 4.340 -0.000 0.000 0.230 184 R C 2.037 178.421 176.300 0.141 0.000 1.111 184 R CA 1.389 57.543 56.100 0.090 0.000 0.976 184 R CB -0.255 30.100 30.300 0.092 0.000 0.870 184 R HN 0.482 nan 8.270 nan 0.000 0.445 185 D N -0.119 120.397 120.400 0.194 0.000 2.149 185 D HA -0.103 4.537 4.640 -0.000 0.000 0.201 185 D C 1.781 178.256 176.300 0.292 0.000 0.972 185 D CA 1.062 55.231 54.000 0.282 0.000 0.835 185 D CB -0.127 40.840 40.800 0.278 0.000 0.966 185 D HN 0.021 nan 8.370 nan 0.000 0.476 186 S N 0.249 116.055 115.700 0.178 0.000 2.383 186 S HA -0.178 4.292 4.470 -0.000 0.000 0.227 186 S C 1.810 176.431 174.600 0.035 0.000 1.026 186 S CA 1.182 59.441 58.200 0.099 0.000 0.981 186 S CB 0.039 63.281 63.200 0.070 0.000 0.818 186 S HN 0.248 nan 8.310 nan 0.000 0.472 187 E N 0.325 120.556 120.200 0.051 0.000 2.072 187 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 187 E C 2.390 179.000 176.600 0.015 0.000 0.985 187 E CA 0.768 57.184 56.400 0.027 0.000 0.801 187 E CB -0.068 29.654 29.700 0.037 0.000 0.750 187 E HN 0.413 nan 8.360 nan 0.000 0.452 188 R N 0.041 120.573 120.500 0.053 0.000 2.096 188 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 188 R C 2.512 178.762 176.300 -0.082 0.000 1.127 188 R CA 0.988 57.118 56.100 0.050 0.000 0.968 188 R CB -0.319 30.079 30.300 0.164 0.000 0.861 188 R HN 0.217 nan 8.270 nan 0.000 0.440 189 L N 0.363 121.438 121.223 -0.247 0.000 2.012 189 L HA -0.086 4.254 4.340 -0.000 0.000 0.210 189 L C 2.083 178.786 176.870 -0.279 0.000 1.073 189 L CA 2.288 56.768 54.840 -0.601 0.000 0.748 189 L CB -1.131 40.530 42.059 -0.663 0.000 0.891 189 L HN 0.185 nan 8.230 nan 0.000 0.431 190 G N -1.210 107.499 108.800 -0.152 0.000 2.440 190 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.218 190 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.218 190 G C 1.422 176.285 174.900 -0.063 0.000 1.154 190 G CA 0.855 45.900 45.100 -0.091 0.000 0.767 190 G HN 0.573 nan 8.290 nan 0.000 0.552 191 E N -0.112 120.061 120.200 -0.044 0.000 2.110 191 E HA -0.069 4.281 4.350 -0.000 0.000 0.193 191 E C 2.676 179.272 176.600 -0.006 0.000 0.988 191 E CA 0.890 57.281 56.400 -0.014 0.000 0.804 191 E CB -0.072 29.631 29.700 0.005 0.000 0.745 191 E HN 0.336 nan 8.360 nan 0.000 0.458 192 V N 1.424 121.323 119.914 -0.024 0.000 2.453 192 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 192 V C 2.309 178.409 176.094 0.010 0.000 1.048 192 V CA 1.612 63.922 62.300 0.017 0.000 1.049 192 V CB -0.367 31.470 31.823 0.023 0.000 0.672 192 V HN 0.167 nan 8.190 nan 0.000 0.457 193 K N 0.014 120.386 120.400 -0.047 0.000 2.097 193 K HA -0.196 4.124 4.320 -0.000 0.000 0.206 193 K C 2.263 178.843 176.600 -0.032 0.000 1.049 193 K CA 1.142 57.395 56.287 -0.056 0.000 0.933 193 K CB -0.010 32.434 32.500 -0.093 0.000 0.717 193 K HN 0.230 nan 8.250 nan 0.000 0.442 194 K N 0.530 120.919 120.400 -0.019 0.000 2.057 194 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 194 K C 2.093 178.705 176.600 0.019 0.000 1.050 194 K CA 1.280 57.565 56.287 -0.003 0.000 0.935 194 K CB -0.114 32.386 32.500 -0.000 0.000 0.715 194 K HN 0.218 nan 8.250 nan 0.000 0.439 195 R N 0.189 120.710 120.500 0.034 0.000 2.236 195 R HA 0.132 4.472 4.340 -0.000 0.000 0.208 195 R C 2.251 178.582 176.300 0.052 0.000 1.036 195 R CA 0.407 56.540 56.100 0.054 0.000 1.001 195 R CB -0.022 30.326 30.300 0.080 0.000 0.896 195 R HN 0.150 nan 8.270 nan 0.000 0.464 196 I N 0.264 120.856 120.570 0.035 0.000 2.584 196 I HA -0.168 4.002 4.170 -0.000 0.000 0.255 196 I C 1.305 177.430 176.117 0.014 0.000 1.145 196 I CA 0.720 62.010 61.300 -0.018 0.000 1.462 196 I CB -0.130 37.855 38.000 -0.025 0.000 1.102 196 I HN 0.161 nan 8.210 nan 0.000 0.433 197 N N 1.457 120.175 118.700 0.029 0.000 2.683 197 N HA 0.060 4.800 4.740 -0.000 0.000 0.256 197 N C -0.920 174.746 175.510 0.260 0.000 1.270 197 N CA -0.114 52.979 53.050 0.072 0.000 0.954 197 N CB 0.188 38.668 38.487 -0.011 0.000 1.289 197 N HN -0.033 nan 8.380 nan 0.000 0.508 198 V N 2.171 122.270 119.914 0.308 0.000 2.483 198 V HA 0.205 4.325 4.120 -0.000 0.000 0.297 198 V C -0.044 175.935 176.094 -0.191 0.000 1.027 198 V CA -0.968 61.409 62.300 0.127 0.000 0.855 198 V CB 1.690 33.522 31.823 0.015 0.000 0.995 198 V HN 0.168 nan 8.190 nan 0.000 0.424 199 L N 9.497 130.349 121.223 -0.618 0.000 2.562 199 L HA 0.279 4.619 4.340 -0.000 0.000 0.271 199 L C -1.260 175.254 176.870 -0.593 0.000 1.167 199 L CA -0.071 54.038 54.840 -1.220 0.000 0.917 199 L CB 0.733 42.295 42.059 -0.828 0.000 1.187 199 L HN 0.449 nan 8.230 nan 0.000 0.482 200 P HA -0.016 nan 4.420 nan 0.000 0.236 200 P C 0.345 177.521 177.300 -0.207 0.000 1.174 200 P CA -0.191 62.752 63.100 -0.262 0.000 0.840 200 P CB 0.306 31.886 31.700 -0.200 0.000 0.947 201 L N 1.313 122.387 121.223 -0.250 0.000 2.540 201 L HA 0.318 4.658 4.340 -0.000 0.000 0.276 201 L C 1.277 178.081 176.870 -0.109 0.000 1.212 201 L CA 2.032 56.776 54.840 -0.160 0.000 0.893 201 L CB -0.808 41.170 42.059 -0.135 0.000 1.138 201 L HN 0.431 nan 8.230 nan 0.000 0.491 202 G N 2.180 110.937 108.800 -0.070 0.000 2.168 202 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.197 202 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.197 202 G C 0.798 175.684 174.900 -0.023 0.000 0.997 202 G CA 0.244 45.339 45.100 -0.009 0.000 0.658 202 G HN 0.666 nan 8.290 nan 0.000 0.513 203 S N 0.259 115.930 115.700 -0.048 0.000 2.548 203 S HA 0.461 4.931 4.470 -0.000 0.000 0.215 203 S C 1.890 176.472 174.600 -0.031 0.000 0.976 203 S CA 1.249 59.428 58.200 -0.035 0.000 0.908 203 S CB 0.202 63.380 63.200 -0.037 0.000 0.781 203 S HN 2.187 nan 8.310 nan 0.000 0.519 204 G N 1.746 110.519 108.800 -0.046 0.000 2.575 204 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.267 204 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.267 204 G C 0.809 175.671 174.900 -0.063 0.000 1.264 204 G CA -0.033 45.038 45.100 -0.049 0.000 0.935 204 G HN 0.688 nan 8.290 nan 0.000 0.568 205 A N -2.058 120.727 122.820 -0.058 0.000 2.081 205 A HA 0.555 4.875 4.320 -0.000 0.000 0.214 205 A C 1.913 179.475 177.584 -0.037 0.000 1.158 205 A CA 2.685 54.676 52.037 -0.077 0.000 0.724 205 A CB 0.028 18.981 19.000 -0.078 0.000 0.826 205 A HN 2.125 nan 8.150 nan 0.000 0.463 206 L N -4.389 116.826 121.223 -0.012 0.000 1.381 206 L HA 0.382 4.721 4.340 -0.000 0.000 0.129 206 L C 1.548 178.424 176.870 0.010 0.000 1.359 206 L CA 1.173 56.020 54.840 0.012 0.000 1.203 206 L CB -0.697 41.375 42.059 0.022 0.000 2.498 206 L HN 0.046 nan 8.230 nan 0.000 0.478 207 A N 0.347 123.170 122.820 0.005 0.000 2.251 207 A HA 0.715 5.035 4.320 -0.000 0.000 0.209 207 A C 1.197 178.783 177.584 0.002 0.000 1.187 207 A CA 0.953 52.993 52.037 0.005 0.000 0.823 207 A CB -0.866 18.138 19.000 0.005 0.000 0.846 207 A HN 1.391 nan 8.150 nan 0.000 0.486 208 G N -0.421 108.379 108.800 -0.001 0.000 2.362 208 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.517 208 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.517 208 G C -0.781 174.121 174.900 0.002 0.000 1.256 208 G CA -0.279 44.820 45.100 -0.002 0.000 1.027 208 G HN 0.458 nan 8.290 nan 0.000 0.491 209 N N 1.679 120.387 118.700 0.012 0.000 2.419 209 N HA 0.397 5.137 4.740 -0.000 0.000 0.264 209 N C -0.706 174.821 175.510 0.028 0.000 1.031 209 N CA -1.131 51.938 53.050 0.033 0.000 0.951 209 N CB 1.778 40.301 38.487 0.060 0.000 1.101 209 N HN 0.376 nan 8.380 nan 0.000 0.488 210 P HA 0.045 nan 4.420 nan 0.000 0.241 210 P C 0.662 177.974 177.300 0.020 0.000 1.191 210 P CA 0.530 63.642 63.100 0.021 0.000 0.771 210 P CB 0.507 32.219 31.700 0.019 0.000 0.929 211 L N -0.491 120.748 121.223 0.027 0.000 2.769 211 L HA 0.221 4.561 4.340 -0.000 0.000 0.240 211 L C 0.491 177.363 176.870 0.002 0.000 1.163 211 L CA -0.082 54.766 54.840 0.014 0.000 0.962 211 L CB -0.606 41.462 42.059 0.015 0.000 1.258 211 L HN -0.070 nan 8.230 nan 0.000 0.513 212 D N 1.273 121.677 120.400 0.006 0.000 2.772 212 D HA -0.238 4.402 4.640 -0.000 0.000 0.233 212 D C 0.108 176.404 176.300 -0.007 0.000 1.143 212 D CA 0.363 54.363 54.000 -0.001 0.000 0.700 212 D CB -0.740 40.057 40.800 -0.005 0.000 1.076 212 D HN 0.175 nan 8.370 nan 0.000 0.430 213 I N 0.990 121.560 120.570 0.000 0.000 2.892 213 I HA 0.045 4.215 4.170 -0.000 0.000 0.287 213 I C 0.604 176.715 176.117 -0.010 0.000 1.205 213 I CA -0.011 61.280 61.300 -0.016 0.000 1.409 213 I CB 0.570 38.583 38.000 0.021 0.000 1.367 213 I HN 0.050 nan 8.210 nan 0.000 0.597 214 D N 6.935 127.320 120.400 -0.025 0.000 2.435 214 D HA 0.079 4.719 4.640 -0.000 0.000 0.230 214 D C 1.056 177.353 176.300 -0.004 0.000 1.215 214 D CA 0.080 54.070 54.000 -0.016 0.000 0.947 214 D CB 0.365 41.151 40.800 -0.023 0.000 1.048 214 D HN 0.514 nan 8.370 nan 0.000 0.512 215 R N 2.082 122.580 120.500 -0.002 0.000 2.092 215 R HA -0.163 4.177 4.340 -0.000 0.000 0.231 215 R C 1.665 177.959 176.300 -0.010 0.000 1.119 215 R CA 0.885 56.981 56.100 -0.007 0.000 0.970 215 R CB 0.029 30.316 30.300 -0.021 0.000 0.864 215 R HN 0.330 nan 8.270 nan 0.000 0.440 216 E N 1.549 121.746 120.200 -0.006 0.000 2.118 216 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 216 E C 1.851 178.456 176.600 0.010 0.000 0.992 216 E CA 1.466 57.867 56.400 0.000 0.000 0.804 216 E CB -0.201 29.499 29.700 -0.000 0.000 0.741 216 E HN 0.264 nan 8.360 nan 0.000 0.458 217 M N -0.435 119.169 119.600 0.007 0.000 2.132 217 M HA -0.117 4.363 4.480 -0.000 0.000 0.263 217 M C 1.909 178.226 176.300 0.028 0.000 1.065 217 M CA 1.364 56.671 55.300 0.011 0.000 1.122 217 M CB -0.059 32.540 32.600 -0.001 0.000 1.365 217 M HN 0.220 nan 8.290 nan 0.000 0.411 218 L N -0.412 120.829 121.223 0.031 0.000 2.017 218 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 218 L C 2.770 179.688 176.870 0.079 0.000 1.073 218 L CA 1.576 56.449 54.840 0.055 0.000 0.745 218 L CB -1.020 41.065 42.059 0.043 0.000 0.894 218 L HN 0.399 nan 8.230 nan 0.000 0.432 219 R N 0.061 120.593 120.500 0.054 0.000 2.112 219 R HA -0.244 4.096 4.340 -0.000 0.000 0.242 219 R C 2.583 178.963 176.300 0.134 0.000 1.137 219 R CA 2.242 58.407 56.100 0.109 0.000 0.944 219 R CB -0.442 29.890 30.300 0.055 0.000 0.857 219 R HN 0.280 nan 8.270 nan 0.000 0.435 220 S N 0.200 115.944 115.700 0.074 0.000 2.365 220 S HA -0.185 4.285 4.470 -0.000 0.000 0.221 220 S C 1.794 176.427 174.600 0.054 0.000 1.037 220 S CA 1.633 59.864 58.200 0.053 0.000 1.060 220 S CB -0.280 62.939 63.200 0.031 0.000 0.974 220 S HN 0.410 nan 8.310 nan 0.000 0.427 221 E N 0.897 121.130 120.200 0.056 0.000 2.070 221 E HA -0.117 4.233 4.350 -0.000 0.000 0.197 221 E C 2.089 178.725 176.600 0.060 0.000 1.004 221 E CA 1.205 57.635 56.400 0.050 0.000 0.805 221 E CB -0.488 29.242 29.700 0.051 0.000 0.744 221 E HN 0.574 nan 8.360 nan 0.000 0.451 222 L N 0.201 121.496 121.223 0.119 0.000 2.554 222 L HA 0.022 4.362 4.340 -0.000 0.000 0.226 222 L C 0.275 177.159 176.870 0.025 0.000 1.137 222 L CA 0.212 55.135 54.840 0.137 0.000 0.863 222 L CB -0.292 41.998 42.059 0.386 0.000 0.985 222 L HN 0.088 nan 8.230 nan 0.000 0.451 223 E N -0.764 119.469 120.200 0.055 0.000 2.513 223 E HA -0.231 4.119 4.350 -0.000 0.000 0.257 223 E C -0.264 176.301 176.600 -0.058 0.000 1.098 223 E CA 0.130 56.520 56.400 -0.016 0.000 0.752 223 E CB -1.568 28.085 29.700 -0.079 0.000 1.324 223 E HN 0.254 nan 8.360 nan 0.000 0.403 224 F N -0.240 119.690 119.950 -0.033 0.000 2.375 224 F HA 0.368 4.895 4.527 -0.000 0.000 0.313 224 F C 1.670 177.450 175.800 -0.033 0.000 1.176 224 F CA 0.365 58.341 58.000 -0.040 0.000 1.142 224 F CB 0.557 39.531 39.000 -0.044 0.000 1.275 224 F HN 0.028 nan 8.300 nan 0.000 0.544 225 A N 0.309 123.230 122.820 0.169 0.000 2.081 225 A HA 0.272 4.592 4.320 -0.000 0.000 0.214 225 A C 0.520 178.148 177.584 0.073 0.000 1.158 225 A CA 1.142 53.229 52.037 0.082 0.000 0.724 225 A CB -0.428 18.599 19.000 0.045 0.000 0.826 225 A HN 0.677 nan 8.150 nan 0.000 0.463 226 S N -1.743 114.010 115.700 0.088 0.000 2.724 226 S HA 0.613 5.083 4.470 -0.000 0.000 0.278 226 S C -0.759 173.835 174.600 -0.009 0.000 1.190 226 S CA -0.214 58.006 58.200 0.034 0.000 0.860 226 S CB 0.347 63.559 63.200 0.021 0.000 1.206 226 S HN 1.010 nan 8.310 nan 0.000 0.507 227 I N -0.352 120.194 120.570 -0.039 0.000 2.740 227 I HA 0.781 4.951 4.170 -0.000 0.000 0.303 227 I C -0.086 175.987 176.117 -0.074 0.000 1.044 227 I CA -0.846 60.399 61.300 -0.092 0.000 1.064 227 I CB 2.264 40.214 38.000 -0.083 0.000 1.249 227 I HN 0.864 nan 8.210 nan 0.000 0.433 228 S N 4.737 120.376 115.700 -0.101 0.000 2.537 228 S HA 0.209 4.679 4.470 -0.000 0.000 0.286 228 S C 0.819 175.396 174.600 -0.039 0.000 1.299 228 S CA -0.559 57.602 58.200 -0.065 0.000 1.067 228 S CB 0.777 63.931 63.200 -0.077 0.000 0.864 228 S HN 0.708 nan 8.310 nan 0.000 0.494 229 L N 1.460 122.671 121.223 -0.020 0.000 2.131 229 L HA 0.152 4.492 4.340 -0.000 0.000 0.206 229 L C 1.347 178.213 176.870 -0.007 0.000 1.087 229 L CA 0.626 55.459 54.840 -0.011 0.000 0.767 229 L CB -0.402 41.655 42.059 -0.002 0.000 0.917 229 L HN 0.745 nan 8.230 nan 0.000 0.441 230 N N -0.441 118.257 118.700 -0.004 0.000 2.480 230 N HA 0.050 4.790 4.740 -0.000 0.000 0.289 230 N C 0.753 176.265 175.510 0.003 0.000 1.073 230 N CA 0.381 53.432 53.050 0.001 0.000 0.885 230 N CB 1.791 40.283 38.487 0.008 0.000 1.421 230 N HN -0.008 nan 8.380 nan 0.000 0.503 231 S N 4.352 120.052 115.700 -0.000 0.000 2.372 231 S HA -0.248 4.222 4.470 -0.000 0.000 0.227 231 S C 1.945 176.554 174.600 0.015 0.000 1.044 231 S CA 1.128 59.328 58.200 0.000 0.000 1.050 231 S CB -0.305 62.894 63.200 -0.002 0.000 0.901 231 S HN 0.677 nan 8.310 nan 0.000 0.447 232 M N 1.666 121.278 119.600 0.020 0.000 2.080 232 M HA -0.151 4.329 4.480 -0.000 0.000 0.260 232 M C 2.354 178.678 176.300 0.040 0.000 1.068 232 M CA 2.292 57.611 55.300 0.031 0.000 1.109 232 M CB -0.810 31.805 32.600 0.025 0.000 1.342 232 M HN 0.471 nan 8.290 nan 0.000 0.405 233 D N 0.325 120.745 120.400 0.034 0.000 2.097 233 D HA -0.116 4.524 4.640 -0.000 0.000 0.195 233 D C 1.859 178.194 176.300 0.059 0.000 0.989 233 D CA 1.721 55.746 54.000 0.042 0.000 0.827 233 D CB 0.037 40.857 40.800 0.035 0.000 0.966 233 D HN 0.280 nan 8.370 nan 0.000 0.456 234 A N 0.043 122.890 122.820 0.043 0.000 2.070 234 A HA -0.086 4.234 4.320 -0.000 0.000 0.220 234 A C 2.116 179.742 177.584 0.070 0.000 1.159 234 A CA 0.924 52.987 52.037 0.042 0.000 0.656 234 A CB -0.511 18.486 19.000 -0.006 0.000 0.800 234 A HN 0.383 nan 8.150 nan 0.000 0.453 235 I N -0.136 120.479 120.570 0.075 0.000 2.585 235 I HA -0.072 4.098 4.170 -0.000 0.000 0.254 235 I C 2.474 178.686 176.117 0.159 0.000 1.129 235 I CA 1.820 63.187 61.300 0.111 0.000 1.455 235 I CB -0.891 37.170 38.000 0.100 0.000 1.111 235 I HN 0.490 nan 8.210 nan 0.000 0.433 236 S N 0.400 116.168 115.700 0.113 0.000 2.497 236 S HA 0.018 4.488 4.470 -0.000 0.000 0.221 236 S C 0.703 175.337 174.600 0.055 0.000 1.037 236 S CA -0.390 57.855 58.200 0.076 0.000 0.920 236 S CB -0.315 62.909 63.200 0.040 0.000 0.800 236 S HN 0.459 nan 8.310 nan 0.000 0.505 237 E N 1.105 121.355 120.200 0.084 0.000 2.383 237 E HA 0.463 4.813 4.350 -0.000 0.000 0.264 237 E C 0.109 176.748 176.600 0.064 0.000 1.050 237 E CA -0.399 56.044 56.400 0.071 0.000 0.896 237 E CB 0.464 30.223 29.700 0.099 0.000 0.982 237 E HN 0.020 nan 8.360 nan 0.000 0.424 238 R N 1.361 121.806 120.500 -0.091 0.000 2.590 238 R HA 0.188 4.528 4.340 -0.000 0.000 0.410 238 R C -0.155 175.895 176.300 -0.417 0.000 1.010 238 R CA -0.091 55.765 56.100 -0.407 0.000 1.155 238 R CB -0.124 29.985 30.300 -0.317 0.000 1.455 238 R HN 0.669 nan 8.270 nan 0.000 0.567 239 D N 0.210 120.530 120.400 -0.134 0.000 2.133 239 D HA -0.251 4.389 4.640 -0.000 0.000 0.192 239 D C 1.411 177.703 176.300 -0.014 0.000 1.001 239 D CA 1.901 55.886 54.000 -0.025 0.000 0.844 239 D CB -0.202 40.648 40.800 0.082 0.000 0.944 239 D HN 0.397 nan 8.370 nan 0.000 0.447 240 F N -0.359 119.631 119.950 0.066 0.000 2.250 240 F HA -0.119 4.408 4.527 -0.000 0.000 0.301 240 F C 1.989 177.865 175.800 0.128 0.000 1.077 240 F CA 0.551 58.602 58.000 0.084 0.000 1.348 240 F CB -0.948 38.090 39.000 0.063 0.000 1.040 240 F HN -0.124 nan 8.300 nan 0.000 0.509 241 V N 0.528 120.105 119.914 -0.562 0.000 2.346 241 V HA -0.191 3.929 4.120 -0.000 0.000 0.244 241 V C 2.547 178.650 176.094 0.015 0.000 1.037 241 V CA 1.482 63.645 62.300 -0.227 0.000 1.029 241 V CB -0.447 31.124 31.823 -0.420 0.000 0.663 241 V HN 0.345 nan 8.190 nan 0.000 0.454 242 V N 0.023 119.898 119.914 -0.065 0.000 2.295 242 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 242 V C 2.430 178.558 176.094 0.057 0.000 1.049 242 V CA 2.151 64.445 62.300 -0.009 0.000 1.024 242 V CB -0.757 31.046 31.823 -0.034 0.000 0.648 242 V HN 0.598 nan 8.190 nan 0.000 0.447 243 E N -0.542 119.713 120.200 0.092 0.000 2.097 243 E HA -0.276 4.074 4.350 -0.000 0.000 0.196 243 E C 2.045 178.769 176.600 0.207 0.000 1.000 243 E CA 1.821 58.302 56.400 0.134 0.000 0.804 243 E CB -0.276 29.514 29.700 0.150 0.000 0.740 243 E HN 0.640 nan 8.360 nan 0.000 0.454 244 F N 1.488 121.518 119.950 0.134 0.000 2.075 244 F HA -0.155 4.372 4.527 -0.000 0.000 0.297 244 F C 1.959 177.900 175.800 0.235 0.000 1.113 244 F CA 1.278 59.410 58.000 0.221 0.000 1.218 244 F CB -0.341 38.764 39.000 0.175 0.000 0.984 244 F HN -0.106 nan 8.300 nan 0.000 0.472 245 L N 0.208 121.372 121.223 -0.098 0.000 2.046 245 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 245 L C 2.733 179.491 176.870 -0.188 0.000 1.077 245 L CA 1.653 56.358 54.840 -0.225 0.000 0.747 245 L CB -1.131 40.897 42.059 -0.053 0.000 0.896 245 L HN 0.352 nan 8.230 nan 0.000 0.432 246 S N -0.127 115.533 115.700 -0.065 0.000 2.402 246 S HA -0.210 4.260 4.470 -0.000 0.000 0.229 246 S C 1.901 176.457 174.600 -0.074 0.000 1.021 246 S CA 0.857 59.031 58.200 -0.045 0.000 0.974 246 S CB -0.811 62.395 63.200 0.010 0.000 0.800 246 S HN 0.442 nan 8.310 nan 0.000 0.484 247 F N 3.484 123.343 119.950 -0.152 0.000 2.075 247 F HA 0.129 4.656 4.527 -0.000 0.000 0.297 247 F C 2.453 178.124 175.800 -0.215 0.000 1.113 247 F CA 0.932 58.844 58.000 -0.147 0.000 1.218 247 F CB -1.144 37.793 39.000 -0.105 0.000 0.984 247 F HN 0.258 nan 8.300 nan 0.000 0.472 248 A N -0.037 122.196 122.820 -0.978 0.000 1.940 248 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 248 A C 2.182 179.422 177.584 -0.573 0.000 1.176 248 A CA 2.351 53.798 52.037 -0.983 0.000 0.631 248 A CB -1.526 17.012 19.000 -0.771 0.000 0.814 248 A HN 0.527 nan 8.150 nan 0.000 0.446 249 T N 0.002 114.330 114.554 -0.377 0.000 2.737 249 T HA -0.069 4.281 4.350 -0.000 0.000 0.265 249 T C 1.852 176.385 174.700 -0.279 0.000 1.038 249 T CA 1.228 63.193 62.100 -0.226 0.000 1.144 249 T CB -0.343 68.479 68.868 -0.076 0.000 0.866 249 T HN 0.365 nan 8.240 nan 0.000 0.434 250 L N 0.815 121.847 121.223 -0.317 0.000 2.083 250 L HA -0.061 4.279 4.340 -0.000 0.000 0.209 250 L C 2.356 178.876 176.870 -0.583 0.000 1.083 250 L CA 1.060 55.665 54.840 -0.391 0.000 0.752 250 L CB -0.314 41.563 42.059 -0.303 0.000 0.899 250 L HN 0.236 nan 8.230 nan 0.000 0.433 251 L N -0.321 120.583 121.223 -0.531 0.000 2.017 251 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 251 L C 2.422 179.114 176.870 -0.298 0.000 1.073 251 L CA 1.926 56.506 54.840 -0.434 0.000 0.745 251 L CB -0.561 41.173 42.059 -0.542 0.000 0.894 251 L HN 0.208 nan 8.230 nan 0.000 0.432 252 M N -0.718 118.711 119.600 -0.285 0.000 2.159 252 M HA -0.174 4.306 4.480 -0.000 0.000 0.263 252 M C 2.288 178.502 176.300 -0.144 0.000 1.063 252 M CA 1.280 56.474 55.300 -0.177 0.000 1.110 252 M CB -1.088 31.421 32.600 -0.151 0.000 1.374 252 M HN 0.268 nan 8.290 nan 0.000 0.411 253 I N -0.518 119.933 120.570 -0.198 0.000 2.208 253 I HA -0.302 3.868 4.170 -0.000 0.000 0.245 253 I C 2.308 178.414 176.117 -0.018 0.000 1.097 253 I CA 1.674 62.892 61.300 -0.137 0.000 1.363 253 I CB -1.452 36.440 38.000 -0.181 0.000 1.051 253 I HN 0.433 nan 8.210 nan 0.000 0.413 254 H N 0.198 119.224 119.070 -0.074 0.000 2.353 254 H HA -0.092 4.464 4.556 -0.000 0.000 0.300 254 H C 2.377 177.662 175.328 -0.072 0.000 1.090 254 H CA 0.817 56.838 56.048 -0.046 0.000 1.327 254 H CB 0.073 29.812 29.762 -0.038 0.000 1.383 254 H HN 0.232 nan 8.280 nan 0.000 0.508 255 L N 0.515 121.757 121.223 0.032 0.000 2.141 255 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 255 L C 2.708 179.537 176.870 -0.068 0.000 1.094 255 L CA 1.167 55.980 54.840 -0.046 0.000 0.763 255 L CB -0.396 41.632 42.059 -0.053 0.000 0.908 255 L HN 0.361 nan 8.230 nan 0.000 0.437 256 S N -0.348 115.321 115.700 -0.052 0.000 2.406 256 S HA -0.198 4.272 4.470 -0.000 0.000 0.228 256 S C 1.986 176.554 174.600 -0.053 0.000 1.020 256 S CA 0.848 59.013 58.200 -0.057 0.000 0.965 256 S CB -0.184 62.982 63.200 -0.057 0.000 0.798 256 S HN 0.368 nan 8.310 nan 0.000 0.488 257 K N 0.938 121.324 120.400 -0.022 0.000 2.025 257 K HA -0.021 4.299 4.320 -0.000 0.000 0.207 257 K C 2.377 178.961 176.600 -0.027 0.000 1.049 257 K CA 1.376 57.670 56.287 0.012 0.000 0.933 257 K CB -0.324 32.231 32.500 0.093 0.000 0.714 257 K HN 0.471 nan 8.250 nan 0.000 0.438 258 M N 0.440 119.937 119.600 -0.172 0.000 2.086 258 M HA -0.167 4.313 4.480 -0.000 0.000 0.261 258 M C 2.089 178.273 176.300 -0.192 0.000 1.067 258 M CA 1.905 56.939 55.300 -0.444 0.000 1.116 258 M CB -0.177 32.021 32.600 -0.670 0.000 1.348 258 M HN 0.285 nan 8.290 nan 0.000 0.407 259 A N -0.075 122.661 122.820 -0.139 0.000 1.908 259 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 259 A C 1.826 179.344 177.584 -0.110 0.000 1.181 259 A CA 2.231 54.210 52.037 -0.097 0.000 0.627 259 A CB -0.934 18.019 19.000 -0.078 0.000 0.818 259 A HN 0.658 nan 8.150 nan 0.000 0.445 260 E N 0.701 120.832 120.200 -0.114 0.000 2.058 260 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 260 E C 1.476 177.931 176.600 -0.242 0.000 0.997 260 E CA 1.911 58.225 56.400 -0.144 0.000 0.801 260 E CB -0.299 29.336 29.700 -0.108 0.000 0.746 260 E HN 0.592 nan 8.360 nan 0.000 0.450 261 D N -0.410 119.846 120.400 -0.240 0.000 2.117 261 D HA -0.142 4.498 4.640 -0.000 0.000 0.197 261 D C 1.869 177.752 176.300 -0.696 0.000 0.987 261 D CA 0.870 54.553 54.000 -0.529 0.000 0.829 261 D CB -0.123 40.582 40.800 -0.158 0.000 0.961 261 D HN 0.206 nan 8.370 nan 0.000 0.460 262 L N 0.854 121.937 121.223 -0.234 0.000 2.141 262 L HA -0.065 4.274 4.340 -0.000 0.000 0.209 262 L C 2.431 179.236 176.870 -0.109 0.000 1.094 262 L CA 0.805 55.614 54.840 -0.051 0.000 0.763 262 L CB -0.638 41.457 42.059 0.059 0.000 0.908 262 L HN 0.057 nan 8.230 nan 0.000 0.437 263 I N -1.162 119.305 120.570 -0.173 0.000 2.202 263 I HA -0.289 3.881 4.170 -0.000 0.000 0.242 263 I C 2.268 178.237 176.117 -0.246 0.000 1.091 263 I CA 0.856 62.060 61.300 -0.160 0.000 1.368 263 I CB -0.188 37.722 38.000 -0.149 0.000 1.058 263 I HN 0.144 nan 8.210 nan 0.000 0.410 264 I N 0.364 120.682 120.570 -0.420 0.000 2.142 264 I HA -0.297 3.872 4.170 -0.000 0.000 0.240 264 I C 2.660 178.337 176.117 -0.734 0.000 1.078 264 I CA 1.981 62.879 61.300 -0.670 0.000 1.343 264 I CB -1.509 35.960 38.000 -0.886 0.000 1.046 264 I HN 0.202 nan 8.210 nan 0.000 0.405 265 Y N 1.585 121.554 120.300 -0.553 0.000 2.333 265 Y HA -0.137 4.413 4.550 -0.000 0.000 0.290 265 Y C 2.828 178.655 175.900 -0.123 0.000 1.144 265 Y CA 0.848 58.748 58.100 -0.333 0.000 1.228 265 Y CB -1.570 36.904 38.460 0.023 0.000 0.985 265 Y HN 0.316 nan 8.280 nan 0.000 0.542 266 S N -0.753 114.975 115.700 0.047 0.000 2.650 266 S HA 0.007 4.477 4.470 -0.000 0.000 0.219 266 S C 0.898 175.508 174.600 0.017 0.000 0.960 266 S CA 0.042 58.272 58.200 0.049 0.000 0.925 266 S CB -1.369 61.852 63.200 0.035 0.000 0.775 266 S HN 0.418 nan 8.310 nan 0.000 0.525 267 T N -0.936 113.612 114.554 -0.010 0.000 2.828 267 T HA 0.371 4.721 4.350 -0.000 0.000 0.290 267 T C 1.208 175.944 174.700 0.061 0.000 1.019 267 T CA -0.184 61.927 62.100 0.019 0.000 1.031 267 T CB 1.020 69.906 68.868 0.031 0.000 1.001 267 T HN 0.073 nan 8.240 nan 0.000 0.531 268 S N 1.162 116.889 115.700 0.045 0.000 2.356 268 S HA -0.112 4.358 4.470 -0.000 0.000 0.223 268 S C 1.998 176.619 174.600 0.036 0.000 1.032 268 S CA 1.436 59.656 58.200 0.034 0.000 1.005 268 S CB -0.553 62.659 63.200 0.020 0.000 0.867 268 S HN 0.854 nan 8.310 nan 0.000 0.449 269 E N 0.818 121.051 120.200 0.054 0.000 2.130 269 E HA -0.122 4.228 4.350 -0.000 0.000 0.196 269 E C 1.540 178.093 176.600 -0.079 0.000 0.998 269 E CA 1.295 57.705 56.400 0.016 0.000 0.806 269 E CB -0.343 29.401 29.700 0.074 0.000 0.738 269 E HN 0.521 nan 8.360 nan 0.000 0.459 270 F N -1.042 118.781 119.950 -0.210 0.000 2.220 270 F HA 0.244 4.771 4.527 -0.000 0.000 0.290 270 F C 2.010 177.624 175.800 -0.310 0.000 1.080 270 F CA 0.979 58.708 58.000 -0.451 0.000 1.318 270 F CB -0.450 38.170 39.000 -0.633 0.000 1.063 270 F HN 0.154 nan 8.300 nan 0.000 0.498 271 G N -0.165 108.673 108.800 0.065 0.000 2.212 271 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.267 271 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.267 271 G C 1.015 176.056 174.900 0.234 0.000 1.002 271 G CA 0.581 45.746 45.100 0.108 0.000 0.729 271 G HN 0.232 nan 8.290 nan 0.000 0.517 272 F N -0.538 119.431 119.950 0.031 0.000 2.186 272 F HA 0.302 4.829 4.527 -0.000 0.000 0.299 272 F C 1.596 177.306 175.800 -0.149 0.000 1.090 272 F CA 1.303 59.238 58.000 -0.108 0.000 1.307 272 F CB -0.481 38.406 39.000 -0.188 0.000 1.019 272 F HN 0.504 nan 8.300 nan 0.000 0.489 273 L N -4.261 117.050 121.223 0.146 0.000 2.838 273 L HA 0.733 5.073 4.340 -0.000 0.000 0.266 273 L C -0.801 176.113 176.870 0.073 0.000 1.040 273 L CA -0.770 54.106 54.840 0.060 0.000 0.906 273 L CB 1.859 43.951 42.059 0.054 0.000 1.501 273 L HN -0.368 nan 8.230 nan 0.000 0.407 274 T N 0.939 115.525 114.554 0.054 0.000 2.906 274 T HA 0.758 5.108 4.350 -0.000 0.000 0.295 274 T C -0.650 174.081 174.700 0.053 0.000 1.061 274 T CA -0.559 61.570 62.100 0.048 0.000 1.000 274 T CB 1.681 70.568 68.868 0.031 0.000 1.103 274 T HN 0.630 nan 8.240 nan 0.000 0.486 275 L N 1.670 122.920 121.223 0.046 0.000 2.352 275 L HA 0.490 4.830 4.340 -0.000 0.000 0.269 275 L C 1.597 178.487 176.870 0.033 0.000 1.034 275 L CA -0.841 54.026 54.840 0.045 0.000 0.806 275 L CB 1.538 43.620 42.059 0.039 0.000 1.244 275 L HN 0.889 nan 8.230 nan 0.000 0.447 276 S N 1.007 116.727 115.700 0.033 0.000 2.116 276 S HA 0.001 4.471 4.470 -0.000 0.000 0.173 276 S C -0.085 174.527 174.600 0.019 0.000 1.419 276 S CA 0.142 58.357 58.200 0.026 0.000 2.163 276 S CB -0.172 63.044 63.200 0.026 0.000 0.340 276 S HN 0.808 nan 8.310 nan 0.000 0.358 277 D N -0.395 120.015 120.400 0.016 0.000 4.959 277 D HA 0.168 4.808 4.640 -0.000 0.000 0.313 277 D C -0.373 175.934 176.300 0.011 0.000 2.491 277 D CA 1.330 55.337 54.000 0.013 0.000 1.123 277 D CB -1.083 39.723 40.800 0.011 0.000 1.160 277 D HN 0.910 nan 8.370 nan 0.000 1.324 293 D N 0.219 120.617 120.400 -0.002 0.000 2.746 293 D HA -0.147 4.492 4.640 -0.000 0.000 0.236 293 D C 1.049 177.345 176.300 -0.008 0.000 1.129 293 D CA 1.165 55.162 54.000 -0.006 0.000 0.691 293 D CB -1.729 39.066 40.800 -0.008 0.000 1.077 293 D HN 0.441 nan 8.370 nan 0.000 0.432 294 S N -0.760 114.937 115.700 -0.006 0.000 2.374 294 S HA -0.229 4.241 4.470 -0.000 0.000 0.227 294 S C 2.095 176.687 174.600 -0.014 0.000 1.037 294 S CA 1.122 59.318 58.200 -0.008 0.000 1.024 294 S CB -0.318 62.879 63.200 -0.004 0.000 0.861 294 S HN 0.538 nan 8.310 nan 0.000 0.456 295 L N 0.941 122.154 121.223 -0.016 0.000 2.042 295 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 295 L C 2.946 179.796 176.870 -0.033 0.000 1.076 295 L CA 1.740 56.564 54.840 -0.027 0.000 0.749 295 L CB -0.715 41.326 42.059 -0.029 0.000 0.893 295 L HN 0.291 nan 8.230 nan 0.000 0.432 296 E N -0.060 120.123 120.200 -0.029 0.000 2.085 296 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 296 E C 2.204 178.790 176.600 -0.024 0.000 0.994 296 E CA 0.871 57.253 56.400 -0.029 0.000 0.801 296 E CB -0.233 29.453 29.700 -0.023 0.000 0.743 296 E HN 0.205 nan 8.360 nan 0.000 0.453 297 L N 0.423 121.634 121.223 -0.019 0.000 1.989 297 L HA -0.186 4.154 4.340 -0.000 0.000 0.211 297 L C 2.325 179.183 176.870 -0.020 0.000 1.071 297 L CA 1.679 56.509 54.840 -0.015 0.000 0.749 297 L CB -1.107 40.946 42.059 -0.011 0.000 0.890 297 L HN 0.247 nan 8.230 nan 0.000 0.431 298 I N -0.637 119.918 120.570 -0.025 0.000 2.194 298 I HA -0.368 3.802 4.170 -0.000 0.000 0.246 298 I C 2.822 178.916 176.117 -0.038 0.000 1.093 298 I CA 1.390 62.670 61.300 -0.032 0.000 1.355 298 I CB -0.424 37.553 38.000 -0.039 0.000 1.046 298 I HN 0.317 nan 8.210 nan 0.000 0.413 299 R N 1.130 121.606 120.500 -0.040 0.000 2.075 299 R HA -0.153 4.186 4.340 -0.000 0.000 0.232 299 R C 2.596 178.876 176.300 -0.034 0.000 1.126 299 R CA 1.845 57.920 56.100 -0.043 0.000 0.963 299 R CB -0.125 30.146 30.300 -0.047 0.000 0.858 299 R HN 0.469 nan 8.270 nan 0.000 0.435 300 S N 0.451 116.136 115.700 -0.025 0.000 2.402 300 S HA -0.061 4.409 4.470 -0.000 0.000 0.229 300 S C 1.585 176.180 174.600 -0.009 0.000 1.021 300 S CA 0.696 58.887 58.200 -0.015 0.000 0.974 300 S CB -0.052 63.142 63.200 -0.011 0.000 0.800 300 S HN 0.198 nan 8.310 nan 0.000 0.484 301 K N 1.622 122.014 120.400 -0.014 0.000 2.362 301 K HA 0.131 4.451 4.320 -0.000 0.000 0.200 301 K C 2.288 178.880 176.600 -0.013 0.000 1.046 301 K CA 0.895 57.175 56.287 -0.011 0.000 0.952 301 K CB -0.829 31.663 32.500 -0.015 0.000 0.753 301 K HN 0.496 nan 8.250 nan 0.000 0.466 302 S N 0.439 116.126 115.700 -0.022 0.000 2.383 302 S HA -0.085 4.385 4.470 -0.000 0.000 0.227 302 S C 2.005 176.624 174.600 0.033 0.000 1.026 302 S CA 1.479 59.663 58.200 -0.026 0.000 0.981 302 S CB -0.239 62.928 63.200 -0.054 0.000 0.818 302 S HN 0.458 nan 8.310 nan 0.000 0.472 303 G N 1.451 110.278 108.800 0.045 0.000 2.404 303 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.215 303 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.215 303 G C 1.508 176.470 174.900 0.104 0.000 1.174 303 G CA 0.650 45.819 45.100 0.115 0.000 0.780 303 G HN 0.506 nan 8.290 nan 0.000 0.537 304 R N 0.004 120.529 120.500 0.042 0.000 2.112 304 R HA -0.124 4.216 4.340 -0.000 0.000 0.242 304 R C 2.634 178.936 176.300 0.004 0.000 1.137 304 R CA 2.068 58.176 56.100 0.014 0.000 0.944 304 R CB -0.612 29.693 30.300 0.008 0.000 0.857 304 R HN 0.258 nan 8.270 nan 0.000 0.435 305 V N 0.894 120.814 119.914 0.010 0.000 2.343 305 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 305 V C 2.116 178.215 176.094 0.008 0.000 1.051 305 V CA 1.918 64.210 62.300 -0.013 0.000 1.036 305 V CB -0.770 31.022 31.823 -0.052 0.000 0.654 305 V HN 0.367 nan 8.190 nan 0.000 0.451 306 F N 2.387 122.284 119.950 -0.088 0.000 2.161 306 F HA -0.073 4.454 4.527 -0.000 0.000 0.300 306 F C 2.126 177.887 175.800 -0.065 0.000 1.089 306 F CA 1.457 59.407 58.000 -0.084 0.000 1.282 306 F CB -1.002 37.953 39.000 -0.075 0.000 1.010 306 F HN 0.132 nan 8.300 nan 0.000 0.485 307 G N -0.026 108.591 108.800 -0.304 0.000 2.442 307 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.219 307 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.219 307 G C 1.755 176.474 174.900 -0.302 0.000 1.141 307 G CA 0.719 45.591 45.100 -0.380 0.000 0.763 307 G HN 0.229 nan 8.290 nan 0.000 0.554 308 R N -0.451 119.935 120.500 -0.190 0.000 2.092 308 R HA 0.095 4.435 4.340 -0.000 0.000 0.231 308 R C 2.408 178.615 176.300 -0.156 0.000 1.119 308 R CA 0.564 56.582 56.100 -0.137 0.000 0.970 308 R CB -1.003 29.258 30.300 -0.066 0.000 0.864 308 R HN 0.405 nan 8.270 nan 0.000 0.440 309 L N 0.189 121.305 121.223 -0.179 0.000 1.994 309 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 309 L C 1.984 178.736 176.870 -0.195 0.000 1.071 309 L CA 2.313 57.066 54.840 -0.146 0.000 0.745 309 L CB -1.041 40.972 42.059 -0.076 0.000 0.892 309 L HN 0.197 nan 8.230 nan 0.000 0.431 310 A N -1.439 121.162 122.820 -0.364 0.000 1.908 310 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 310 A C 2.528 179.985 177.584 -0.212 0.000 1.181 310 A CA 2.174 54.014 52.037 -0.328 0.000 0.627 310 A CB -1.281 17.393 19.000 -0.544 0.000 0.818 310 A HN 0.607 nan 8.150 nan 0.000 0.445 311 S N -0.312 115.261 115.700 -0.211 0.000 2.351 311 S HA -0.160 4.310 4.470 -0.000 0.000 0.220 311 S C 1.894 176.422 174.600 -0.120 0.000 1.035 311 S CA 1.734 59.844 58.200 -0.150 0.000 1.031 311 S CB -0.426 62.690 63.200 -0.141 0.000 0.928 311 S HN 0.382 nan 8.310 nan 0.000 0.433 312 I N 1.638 122.138 120.570 -0.117 0.000 2.315 312 I HA -0.069 4.101 4.170 -0.000 0.000 0.248 312 I C 2.338 178.398 176.117 -0.094 0.000 1.117 312 I CA 0.950 62.188 61.300 -0.103 0.000 1.404 312 I CB -1.553 36.387 38.000 -0.099 0.000 1.071 312 I HN 0.353 nan 8.210 nan 0.000 0.419 313 L N -0.293 120.876 121.223 -0.089 0.000 2.083 313 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 313 L C 2.644 179.474 176.870 -0.066 0.000 1.083 313 L CA 1.331 56.129 54.840 -0.070 0.000 0.752 313 L CB -0.364 41.659 42.059 -0.059 0.000 0.899 313 L HN 0.241 nan 8.230 nan 0.000 0.433 314 M N -1.025 118.530 119.600 -0.075 0.000 2.288 314 M HA -0.113 4.367 4.480 -0.000 0.000 0.266 314 M C 2.087 178.348 176.300 -0.066 0.000 1.072 314 M CA 1.181 56.442 55.300 -0.065 0.000 1.132 314 M CB 0.179 32.738 32.600 -0.068 0.000 1.386 314 M HN -0.024 nan 8.290 nan 0.000 0.432 315 V N 1.189 121.057 119.914 -0.076 0.000 2.343 315 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 315 V C 2.288 178.335 176.094 -0.078 0.000 1.051 315 V CA 1.723 63.976 62.300 -0.078 0.000 1.036 315 V CB -0.665 31.106 31.823 -0.087 0.000 0.654 315 V HN 0.541 nan 8.190 nan 0.000 0.451 316 L N -0.612 120.564 121.223 -0.078 0.000 2.217 316 L HA -0.012 4.328 4.340 -0.000 0.000 0.211 316 L C 1.529 178.364 176.870 -0.059 0.000 1.107 316 L CA 0.626 55.422 54.840 -0.074 0.000 0.783 316 L CB -0.363 41.652 42.059 -0.074 0.000 0.919 316 L HN 0.176 nan 8.230 nan 0.000 0.442 317 K N 1.202 121.570 120.400 -0.052 0.000 2.412 317 K HA 0.086 4.406 4.320 -0.000 0.000 0.284 317 K C 0.873 177.450 176.600 -0.040 0.000 1.046 317 K CA 1.006 57.269 56.287 -0.041 0.000 0.999 317 K CB 0.556 33.035 32.500 -0.036 0.000 0.941 317 K HN 0.290 nan 8.250 nan 0.000 0.474 318 G N 3.540 112.320 108.800 -0.034 0.000 2.217 318 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.246 318 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.246 318 G C 0.213 175.091 174.900 -0.037 0.000 0.990 318 G CA 0.119 45.200 45.100 -0.032 0.000 0.627 318 G HN 0.548 nan 8.290 nan 0.000 0.522 319 L N 3.305 124.500 121.223 -0.047 0.000 2.462 319 L HA 0.333 4.673 4.340 -0.000 0.000 0.272 319 L C -0.589 176.254 176.870 -0.045 0.000 1.166 319 L CA -1.354 53.452 54.840 -0.056 0.000 0.880 319 L CB 0.161 42.174 42.059 -0.078 0.000 1.142 319 L HN 0.162 nan 8.230 nan 0.000 0.473 320 P HA 0.181 nan 4.420 nan 0.000 0.276 320 P C -0.557 176.728 177.300 -0.026 0.000 1.252 320 P CA -0.569 62.515 63.100 -0.027 0.000 0.802 320 P CB 0.965 32.652 31.700 -0.022 0.000 1.035 321 S N -0.147 115.547 115.700 -0.011 0.000 2.585 321 S HA 0.230 4.700 4.470 -0.000 0.000 0.273 321 S C 1.037 175.641 174.600 0.007 0.000 1.339 321 S CA -0.166 58.034 58.200 -0.000 0.000 1.028 321 S CB 0.599 63.804 63.200 0.008 0.000 0.906 321 S HN 0.538 nan 8.310 nan 0.000 0.528 322 T N 0.506 115.076 114.554 0.027 0.000 3.556 322 T HA 0.152 4.502 4.350 -0.000 0.000 0.204 322 T C -0.167 174.560 174.700 0.045 0.000 0.896 322 T CA -0.019 62.107 62.100 0.044 0.000 1.380 322 T CB -0.444 68.466 68.868 0.069 0.000 1.584 322 T HN 0.588 nan 8.240 nan 0.000 0.411 323 Y N 3.038 123.336 120.300 -0.003 0.000 2.359 323 Y HA 0.409 4.959 4.550 -0.000 0.000 0.330 323 Y C -0.548 175.346 175.900 -0.009 0.000 1.143 323 Y CA -0.552 57.545 58.100 -0.005 0.000 1.318 323 Y CB 0.117 38.573 38.460 -0.007 0.000 1.234 323 Y HN 0.261 nan 8.280 nan 0.000 0.522 324 N N 4.370 122.429 118.700 -1.068 0.000 2.264 324 N HA 0.197 4.936 4.740 -0.000 0.000 0.288 324 N C 0.032 175.042 175.510 -0.834 0.000 1.094 324 N CA -0.936 51.706 53.050 -0.681 0.000 0.817 324 N CB 1.658 39.953 38.487 -0.320 0.000 1.604 324 N HN 0.404 nan 8.380 nan 0.000 0.473 325 K N 1.068 121.259 120.400 -0.348 0.000 2.127 325 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 325 K C 0.084 176.598 176.600 -0.144 0.000 1.047 325 K CA 1.770 57.981 56.287 -0.126 0.000 0.927 325 K CB -0.269 32.218 32.500 -0.022 0.000 0.716 325 K HN 0.621 nan 8.250 nan 0.000 0.450 326 D N 0.617 120.915 120.400 -0.171 0.000 2.149 326 D HA -0.196 4.444 4.640 -0.000 0.000 0.194 326 D C 1.627 177.849 176.300 -0.130 0.000 1.001 326 D CA 0.771 54.694 54.000 -0.129 0.000 0.849 326 D CB -0.118 40.605 40.800 -0.128 0.000 0.939 326 D HN 0.107 nan 8.370 nan 0.000 0.449 327 L N 0.699 121.807 121.223 -0.191 0.000 2.556 327 L HA -0.163 4.176 4.340 -0.000 0.000 0.230 327 L C 2.114 178.952 176.870 -0.053 0.000 1.163 327 L CA 1.201 55.961 54.840 -0.133 0.000 0.819 327 L CB -1.233 40.730 42.059 -0.160 0.000 0.939 327 L HN 0.270 nan 8.230 nan 0.000 0.452 328 Q N -0.041 119.740 119.800 -0.032 0.000 2.364 328 Q HA -0.155 4.185 4.340 -0.000 0.000 0.207 328 Q C 1.492 177.483 176.000 -0.016 0.000 0.970 328 Q CA 0.742 56.553 55.803 0.013 0.000 0.888 328 Q CB 0.299 29.060 28.738 0.038 0.000 0.951 328 Q HN 0.416 nan 8.270 nan 0.000 0.469 329 E N 1.187 121.356 120.200 -0.052 0.000 2.478 329 E HA -0.139 4.210 4.350 -0.000 0.000 0.198 329 E C 1.172 177.700 176.600 -0.120 0.000 1.046 329 E CA 0.958 57.309 56.400 -0.082 0.000 0.870 329 E CB 0.098 29.749 29.700 -0.083 0.000 0.818 329 E HN 0.626 nan 8.360 nan 0.000 0.527 330 D N 1.129 121.462 120.400 -0.112 0.000 2.097 330 D HA -0.193 4.447 4.640 -0.000 0.000 0.195 330 D C 1.651 177.826 176.300 -0.209 0.000 0.989 330 D CA 1.002 54.921 54.000 -0.136 0.000 0.827 330 D CB -0.288 40.446 40.800 -0.111 0.000 0.966 330 D HN -0.087 nan 8.370 nan 0.000 0.456 331 K N 0.748 120.983 120.400 -0.276 0.000 2.000 331 K HA -0.180 4.140 4.320 -0.000 0.000 0.218 331 K C 2.238 178.348 176.600 -0.818 0.000 1.053 331 K CA 1.988 57.907 56.287 -0.614 0.000 0.946 331 K CB -0.487 31.738 32.500 -0.458 0.000 0.723 331 K HN 0.339 nan 8.250 nan 0.000 0.446 332 E N -0.390 119.446 120.200 -0.607 0.000 2.147 332 E HA -0.259 4.091 4.350 -0.000 0.000 0.199 332 E C 1.949 178.409 176.600 -0.232 0.000 1.005 332 E CA 1.252 57.355 56.400 -0.494 0.000 0.810 332 E CB -0.217 29.157 29.700 -0.545 0.000 0.736 332 E HN 0.412 nan 8.360 nan 0.000 0.460 333 A N 0.863 123.567 122.820 -0.193 0.000 1.873 333 A HA -0.119 4.201 4.320 -0.000 0.000 0.215 333 A C 2.531 180.139 177.584 0.039 0.000 1.186 333 A CA 1.110 53.105 52.037 -0.069 0.000 0.616 333 A CB -0.604 18.353 19.000 -0.072 0.000 0.823 333 A HN 0.118 nan 8.150 nan 0.000 0.442 334 V N -0.618 119.296 119.914 0.001 0.000 2.343 334 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 334 V C 2.352 178.661 176.094 0.359 0.000 1.051 334 V CA 2.042 64.445 62.300 0.173 0.000 1.036 334 V CB -1.094 30.771 31.823 0.069 0.000 0.654 334 V HN 0.628 nan 8.190 nan 0.000 0.451 335 F N 0.535 120.580 119.950 0.158 0.000 2.069 335 F HA -0.262 4.265 4.527 -0.000 0.000 0.298 335 F C 2.559 178.447 175.800 0.146 0.000 1.113 335 F CA 1.608 59.705 58.000 0.162 0.000 1.214 335 F CB -0.389 38.635 39.000 0.039 0.000 0.978 335 F HN 0.274 nan 8.300 nan 0.000 0.474 336 D N 0.551 121.123 120.400 0.286 0.000 2.092 336 D HA -0.162 4.478 4.640 -0.000 0.000 0.193 336 D C 2.028 178.436 176.300 0.179 0.000 0.994 336 D CA 1.354 55.459 54.000 0.176 0.000 0.828 336 D CB -0.288 40.567 40.800 0.092 0.000 0.963 336 D HN 0.017 nan 8.370 nan 0.000 0.450 337 V N -0.118 119.922 119.914 0.210 0.000 2.407 337 V HA -0.193 3.927 4.120 -0.000 0.000 0.248 337 V C 2.679 178.953 176.094 0.301 0.000 1.055 337 V CA 1.225 63.651 62.300 0.209 0.000 1.049 337 V CB -0.356 31.595 31.823 0.214 0.000 0.662 337 V HN 0.161 nan 8.190 nan 0.000 0.455 338 V N 0.378 120.533 119.914 0.401 0.000 2.255 338 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 338 V C 2.299 178.536 176.094 0.239 0.000 1.051 338 V CA 2.418 64.931 62.300 0.355 0.000 1.018 338 V CB -0.663 31.347 31.823 0.311 0.000 0.641 338 V HN 0.581 nan 8.190 nan 0.000 0.445 339 D N -0.574 119.951 120.400 0.209 0.000 2.178 339 D HA -0.113 4.527 4.640 -0.000 0.000 0.202 339 D C 2.232 178.602 176.300 0.118 0.000 0.974 339 D CA 1.655 55.743 54.000 0.147 0.000 0.841 339 D CB -0.313 40.561 40.800 0.124 0.000 0.953 339 D HN 0.427 nan 8.370 nan 0.000 0.478 340 T N 1.399 116.023 114.554 0.116 0.000 2.701 340 T HA -0.050 4.300 4.350 -0.000 0.000 0.263 340 T C 2.276 177.017 174.700 0.068 0.000 1.040 340 T CA 0.545 62.690 62.100 0.075 0.000 1.147 340 T CB -0.287 68.616 68.868 0.058 0.000 0.865 340 T HN 0.116 nan 8.240 nan 0.000 0.426 341 L N 0.773 122.052 121.223 0.093 0.000 2.046 341 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 341 L C 2.915 179.856 176.870 0.118 0.000 1.077 341 L CA 1.236 56.128 54.840 0.087 0.000 0.747 341 L CB -1.231 40.905 42.059 0.128 0.000 0.896 341 L HN 0.311 nan 8.230 nan 0.000 0.432 342 T N -0.010 114.636 114.554 0.152 0.000 2.708 342 T HA -0.172 4.178 4.350 -0.000 0.000 0.266 342 T C 2.019 176.766 174.700 0.079 0.000 1.037 342 T CA 1.477 63.688 62.100 0.186 0.000 1.146 342 T CB -0.226 68.756 68.868 0.189 0.000 0.865 342 T HN 0.455 nan 8.240 nan 0.000 0.435 343 A N 0.788 123.640 122.820 0.053 0.000 1.898 343 A HA 0.007 4.327 4.320 -0.000 0.000 0.216 343 A C 2.578 180.154 177.584 -0.013 0.000 1.181 343 A CA 1.136 53.178 52.037 0.008 0.000 0.620 343 A CB -0.934 18.079 19.000 0.022 0.000 0.819 343 A HN 0.340 nan 8.150 nan 0.000 0.442 344 V N 0.150 120.066 119.914 0.003 0.000 2.427 344 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 344 V C 2.533 178.616 176.094 -0.020 0.000 1.051 344 V CA 1.732 64.026 62.300 -0.010 0.000 1.048 344 V CB -0.687 31.131 31.823 -0.009 0.000 0.666 344 V HN 0.543 nan 8.190 nan 0.000 0.456 345 L N -0.598 120.621 121.223 -0.007 0.000 2.027 345 L HA -0.228 4.112 4.340 -0.000 0.000 0.206 345 L C 2.726 179.558 176.870 -0.064 0.000 1.074 345 L CA 1.705 56.541 54.840 -0.006 0.000 0.745 345 L CB -0.550 41.548 42.059 0.065 0.000 0.898 345 L HN 0.368 nan 8.230 nan 0.000 0.433 346 Q N -0.747 118.962 119.800 -0.153 0.000 2.084 346 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 346 Q C 2.311 178.254 176.000 -0.094 0.000 0.978 346 Q CA 1.452 57.137 55.803 -0.196 0.000 0.844 346 Q CB -0.249 28.307 28.738 -0.302 0.000 0.898 346 Q HN 0.352 nan 8.270 nan 0.000 0.426 347 V N 1.235 121.109 119.914 -0.066 0.000 2.332 347 V HA -0.313 3.807 4.120 -0.000 0.000 0.248 347 V C 2.329 178.407 176.094 -0.028 0.000 1.055 347 V CA 1.887 64.165 62.300 -0.037 0.000 1.038 347 V CB -1.061 30.746 31.823 -0.027 0.000 0.651 347 V HN 0.416 nan 8.190 nan 0.000 0.450 348 A N -0.396 122.406 122.820 -0.030 0.000 1.883 348 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 348 A C 2.408 179.982 177.584 -0.015 0.000 1.186 348 A CA 2.605 54.627 52.037 -0.025 0.000 0.624 348 A CB -1.091 17.890 19.000 -0.031 0.000 0.822 348 A HN 0.493 nan 8.150 nan 0.000 0.444 349 T N -0.183 114.360 114.554 -0.019 0.000 2.684 349 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 349 T C 1.970 176.672 174.700 0.002 0.000 1.036 349 T CA 1.720 63.815 62.100 -0.007 0.000 1.148 349 T CB -0.784 68.076 68.868 -0.014 0.000 0.863 349 T HN 0.627 nan 8.240 nan 0.000 0.436 350 G N 1.154 109.950 108.800 -0.006 0.000 2.491 350 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 350 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 350 G C 1.717 176.629 174.900 0.020 0.000 1.180 350 G CA 1.170 46.273 45.100 0.005 0.000 0.774 350 G HN 0.437 nan 8.290 nan 0.000 0.562 351 V N 1.753 121.678 119.914 0.019 0.000 2.231 351 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 351 V C 2.752 178.883 176.094 0.062 0.000 1.054 351 V CA 1.514 63.836 62.300 0.037 0.000 1.015 351 V CB -0.430 31.410 31.823 0.028 0.000 0.638 351 V HN 0.313 nan 8.190 nan 0.000 0.444 352 I N 1.248 121.851 120.570 0.054 0.000 2.700 352 I HA -0.136 4.034 4.170 -0.000 0.000 0.261 352 I C 2.327 178.495 176.117 0.086 0.000 1.219 352 I CA 2.025 63.372 61.300 0.078 0.000 1.463 352 I CB -1.290 36.735 38.000 0.040 0.000 1.092 352 I HN 0.593 nan 8.210 nan 0.000 0.452 353 S N -1.001 114.737 115.700 0.064 0.000 2.502 353 S HA 0.005 4.475 4.470 -0.000 0.000 0.215 353 S C 1.553 176.192 174.600 0.064 0.000 1.009 353 S CA 0.518 58.755 58.200 0.062 0.000 0.908 353 S CB -0.200 63.025 63.200 0.042 0.000 0.801 353 S HN 0.502 nan 8.310 nan 0.000 0.505 354 T N 0.232 114.824 114.554 0.063 0.000 3.003 354 T HA 0.414 4.764 4.350 -0.000 0.000 0.261 354 T C 0.318 175.057 174.700 0.065 0.000 1.003 354 T CA -0.445 61.689 62.100 0.056 0.000 0.917 354 T CB -0.668 68.224 68.868 0.040 0.000 1.084 354 T HN 0.370 nan 8.240 nan 0.000 0.522 355 L N 1.139 122.415 121.223 0.090 0.000 2.456 355 L HA 0.525 4.865 4.340 -0.000 0.000 0.272 355 L C -0.339 176.584 176.870 0.090 0.000 1.189 355 L CA -0.315 54.584 54.840 0.098 0.000 0.846 355 L CB -0.102 42.043 42.059 0.142 0.000 1.111 355 L HN 0.062 nan 8.230 nan 0.000 0.475 356 Q N 4.374 124.208 119.800 0.056 0.000 2.347 356 Q HA 0.587 4.927 4.340 -0.000 0.000 0.262 356 Q C -0.268 175.721 176.000 -0.020 0.000 0.980 356 Q CA -0.541 55.276 55.803 0.023 0.000 0.867 356 Q CB 2.071 30.817 28.738 0.014 0.000 1.242 356 Q HN 0.820 nan 8.270 nan 0.000 0.453 357 I N -1.383 119.140 120.570 -0.079 0.000 2.970 357 I HA 0.526 4.696 4.170 -0.000 0.000 0.310 357 I C -0.009 175.999 176.117 -0.182 0.000 1.010 357 I CA -0.542 60.626 61.300 -0.219 0.000 1.228 357 I CB 1.558 39.275 38.000 -0.472 0.000 1.433 357 I HN 0.358 nan 8.210 nan 0.000 0.573 358 S N 1.833 117.397 115.700 -0.228 0.000 2.542 358 S HA 0.335 4.804 4.470 -0.000 0.000 0.245 358 S C 0.619 175.080 174.600 -0.232 0.000 1.325 358 S CA -0.807 57.294 58.200 -0.166 0.000 1.176 358 S CB 0.469 63.614 63.200 -0.092 0.000 1.045 358 S HN 0.760 nan 8.310 nan 0.000 0.481 359 K N 2.359 122.632 120.400 -0.212 0.000 2.113 359 K HA -0.161 4.159 4.320 -0.000 0.000 0.208 359 K C 1.549 178.033 176.600 -0.192 0.000 1.047 359 K CA 1.757 57.914 56.287 -0.216 0.000 0.928 359 K CB 0.033 32.446 32.500 -0.145 0.000 0.716 359 K HN 0.678 nan 8.250 nan 0.000 0.446 360 E N 0.529 120.644 120.200 -0.141 0.000 2.072 360 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 360 E C 1.811 178.334 176.600 -0.128 0.000 0.985 360 E CA 0.782 57.111 56.400 -0.119 0.000 0.801 360 E CB -0.049 29.603 29.700 -0.080 0.000 0.750 360 E HN 0.307 nan 8.360 nan 0.000 0.452 361 N N 0.536 119.166 118.700 -0.117 0.000 2.244 361 N HA -0.077 4.663 4.740 -0.000 0.000 0.183 361 N C 1.790 177.201 175.510 -0.165 0.000 1.016 361 N CA 0.975 53.985 53.050 -0.066 0.000 0.866 361 N CB -0.068 38.442 38.487 0.038 0.000 0.980 361 N HN 0.220 nan 8.380 nan 0.000 0.430 362 M N 0.476 119.842 119.600 -0.391 0.000 2.254 362 M HA -0.081 4.399 4.480 -0.000 0.000 0.265 362 M C 2.090 178.137 176.300 -0.422 0.000 1.066 362 M CA 1.117 56.008 55.300 -0.681 0.000 1.123 362 M CB -0.095 32.059 32.600 -0.742 0.000 1.388 362 M HN 0.161 nan 8.290 nan 0.000 0.425 363 E N 1.059 121.076 120.200 -0.304 0.000 2.051 363 E HA -0.194 4.156 4.350 -0.000 0.000 0.189 363 E C 2.007 178.444 176.600 -0.272 0.000 0.979 363 E CA 0.895 57.122 56.400 -0.288 0.000 0.803 363 E CB 0.058 29.623 29.700 -0.225 0.000 0.761 363 E HN 0.343 nan 8.360 nan 0.000 0.451 364 K N 0.464 120.753 120.400 -0.185 0.000 2.089 364 K HA -0.218 4.102 4.320 -0.000 0.000 0.210 364 K C 1.977 178.507 176.600 -0.117 0.000 1.048 364 K CA 1.496 57.706 56.287 -0.128 0.000 0.926 364 K CB -0.276 32.181 32.500 -0.073 0.000 0.714 364 K HN 0.170 nan 8.250 nan 0.000 0.448 365 A N 0.842 123.608 122.820 -0.089 0.000 2.024 365 A HA -0.043 4.277 4.320 -0.000 0.000 0.220 365 A C 0.652 178.179 177.584 -0.095 0.000 1.164 365 A CA 0.693 52.716 52.037 -0.023 0.000 0.643 365 A CB -0.338 18.744 19.000 0.136 0.000 0.806 365 A HN 0.223 nan 8.150 nan 0.000 0.451 366 L N 0.956 122.034 121.223 -0.241 0.000 2.456 366 L HA 0.340 4.680 4.340 -0.000 0.000 0.272 366 L C 0.875 177.638 176.870 -0.180 0.000 1.189 366 L CA 1.148 55.777 54.840 -0.352 0.000 0.846 366 L CB 0.541 41.969 42.059 -1.052 0.000 1.111 366 L HN 0.407 nan 8.230 nan 0.000 0.475 367 T N -0.898 113.746 114.554 0.150 0.000 2.900 367 T HA 0.484 4.834 4.350 -0.000 0.000 0.303 367 T C -2.346 172.616 174.700 0.436 0.000 1.142 367 T CA -1.687 60.565 62.100 0.254 0.000 1.007 367 T CB 1.952 70.891 68.868 0.119 0.000 1.156 367 T HN 0.273 nan 8.240 nan 0.000 0.490 368 P HA -0.039 nan 4.420 nan 0.000 0.219 368 P C 1.205 178.578 177.300 0.121 0.000 1.146 368 P CA 0.953 64.179 63.100 0.211 0.000 0.808 368 P CB 0.122 31.942 31.700 0.201 0.000 0.779 369 E N -0.464 119.806 120.200 0.116 0.000 2.058 369 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 369 E C 1.846 178.478 176.600 0.053 0.000 0.997 369 E CA 1.348 57.794 56.400 0.077 0.000 0.801 369 E CB -0.666 29.075 29.700 0.068 0.000 0.746 369 E HN 0.298 nan 8.360 nan 0.000 0.450 370 M N 0.559 120.203 119.600 0.072 0.000 2.346 370 M HA -0.137 4.343 4.480 -0.000 0.000 0.263 370 M C 1.771 178.060 176.300 -0.019 0.000 1.064 370 M CA 1.070 56.400 55.300 0.051 0.000 1.083 370 M CB -0.185 32.486 32.600 0.119 0.000 1.399 370 M HN 0.105 nan 8.290 nan 0.000 0.435 371 L N -0.581 120.584 121.223 -0.096 0.000 2.599 371 L HA 0.111 4.451 4.340 -0.000 0.000 0.230 371 L C 2.531 179.289 176.870 -0.186 0.000 1.141 371 L CA -0.232 54.466 54.840 -0.236 0.000 0.877 371 L CB -0.790 41.002 42.059 -0.445 0.000 1.009 371 L HN 0.232 nan 8.230 nan 0.000 0.447 372 A N 0.230 123.009 122.820 -0.067 0.000 2.019 372 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 372 A C 2.353 179.939 177.584 0.003 0.000 1.164 372 A CA 2.110 54.137 52.037 -0.016 0.000 0.644 372 A CB -0.533 18.485 19.000 0.030 0.000 0.805 372 A HN 0.350 nan 8.150 nan 0.000 0.449 373 T N 0.304 114.863 114.554 0.009 0.000 2.698 373 T HA -0.105 4.245 4.350 -0.000 0.000 0.260 373 T C 1.492 176.212 174.700 0.034 0.000 1.044 373 T CA 1.335 63.471 62.100 0.059 0.000 1.149 373 T CB -0.398 68.515 68.868 0.076 0.000 0.864 373 T HN 0.499 nan 8.240 nan 0.000 0.419 374 D N 1.312 121.694 120.400 -0.030 0.000 2.149 374 D HA -0.077 4.563 4.640 -0.000 0.000 0.198 374 D C 2.116 178.372 176.300 -0.074 0.000 0.990 374 D CA 0.545 54.507 54.000 -0.064 0.000 0.839 374 D CB -0.455 40.262 40.800 -0.138 0.000 0.948 374 D HN 0.140 nan 8.370 nan 0.000 0.460 375 L N 1.511 122.663 121.223 -0.118 0.000 1.991 375 L HA -0.269 4.071 4.340 -0.000 0.000 0.221 375 L C 2.275 179.181 176.870 0.060 0.000 1.079 375 L CA 2.358 57.166 54.840 -0.053 0.000 0.778 375 L CB -0.936 41.106 42.059 -0.028 0.000 0.893 375 L HN 0.021 nan 8.230 nan 0.000 0.437 376 A N -0.868 121.950 122.820 -0.004 0.000 1.933 376 A HA -0.176 4.143 4.320 -0.000 0.000 0.218 376 A C 2.262 179.766 177.584 -0.134 0.000 1.175 376 A CA 1.897 53.856 52.037 -0.130 0.000 0.628 376 A CB -0.973 17.809 19.000 -0.364 0.000 0.814 376 A HN 0.554 nan 8.150 nan 0.000 0.444 377 L N -1.827 119.358 121.223 -0.065 0.000 2.189 377 L HA -0.245 4.095 4.340 -0.000 0.000 0.214 377 L C 2.540 179.391 176.870 -0.032 0.000 1.097 377 L CA 1.728 56.540 54.840 -0.048 0.000 0.764 377 L CB -0.683 41.361 42.059 -0.026 0.000 0.900 377 L HN 0.625 nan 8.230 nan 0.000 0.436 378 Y N 0.849 121.089 120.300 -0.100 0.000 2.114 378 Y HA -0.254 4.296 4.550 -0.000 0.000 0.284 378 Y C 2.228 178.049 175.900 -0.131 0.000 1.143 378 Y CA 1.535 59.584 58.100 -0.084 0.000 1.135 378 Y CB -0.232 38.218 38.460 -0.018 0.000 0.980 378 Y HN -0.041 nan 8.280 nan 0.000 0.499 379 L N -0.666 120.394 121.223 -0.272 0.000 2.083 379 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 379 L C 2.512 179.201 176.870 -0.302 0.000 1.083 379 L CA 1.294 55.903 54.840 -0.386 0.000 0.752 379 L CB -1.415 40.477 42.059 -0.279 0.000 0.899 379 L HN 0.126 nan 8.230 nan 0.000 0.433 380 V N -0.249 119.534 119.914 -0.219 0.000 2.255 380 V HA -0.332 3.788 4.120 -0.000 0.000 0.247 380 V C 2.654 178.655 176.094 -0.155 0.000 1.051 380 V CA 1.928 64.137 62.300 -0.151 0.000 1.018 380 V CB -0.662 31.103 31.823 -0.096 0.000 0.641 380 V HN 0.428 nan 8.190 nan 0.000 0.445 381 R N 0.174 120.567 120.500 -0.177 0.000 2.152 381 R HA -0.102 4.238 4.340 -0.000 0.000 0.232 381 R C 2.010 178.188 176.300 -0.204 0.000 1.117 381 R CA 0.814 56.816 56.100 -0.163 0.000 0.981 381 R CB -0.285 29.927 30.300 -0.148 0.000 0.870 381 R HN 0.408 nan 8.270 nan 0.000 0.451 382 K N -0.333 119.881 120.400 -0.311 0.000 2.555 382 K HA 0.054 4.374 4.320 -0.000 0.000 0.193 382 K C 1.237 177.713 176.600 -0.207 0.000 1.032 382 K CA 0.902 57.002 56.287 -0.312 0.000 1.004 382 K CB 0.414 32.622 32.500 -0.487 0.000 0.804 382 K HN 0.478 nan 8.250 nan 0.000 0.496 383 G N 0.373 109.072 108.800 -0.168 0.000 2.232 383 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.226 383 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.226 383 G C 0.158 174.993 174.900 -0.108 0.000 0.996 383 G CA -0.008 45.023 45.100 -0.116 0.000 0.626 383 G HN 0.110 nan 8.290 nan 0.000 0.509 384 V N 3.314 123.140 119.914 -0.147 0.000 2.434 384 V HA 0.275 4.395 4.120 -0.000 0.000 0.281 384 V C -1.059 174.980 176.094 -0.092 0.000 1.005 384 V CA -0.482 61.740 62.300 -0.130 0.000 1.089 384 V CB 0.583 32.297 31.823 -0.182 0.000 0.978 384 V HN 0.197 nan 8.190 nan 0.000 0.474 385 P HA -0.004 nan 4.420 nan 0.000 0.269 385 P C 0.666 178.000 177.300 0.057 0.000 1.217 385 P CA -0.190 62.923 63.100 0.023 0.000 0.783 385 P CB 0.430 32.150 31.700 0.033 0.000 0.898 386 F N 2.523 122.464 119.950 -0.016 0.000 2.284 386 F HA -0.336 4.191 4.527 -0.000 0.000 0.308 386 F C 2.353 178.227 175.800 0.123 0.000 1.335 386 F CA 1.895 59.930 58.000 0.058 0.000 1.262 386 F CB -0.821 38.241 39.000 0.103 0.000 0.897 386 F HN 0.181 nan 8.300 nan 0.000 0.593 387 R N 0.277 120.714 120.500 -0.105 0.000 2.133 387 R HA -0.197 4.143 4.340 -0.000 0.000 0.247 387 R C 2.202 178.453 176.300 -0.082 0.000 1.151 387 R CA 1.555 57.554 56.100 -0.168 0.000 0.971 387 R CB -0.820 29.489 30.300 0.015 0.000 0.866 387 R HN 0.465 nan 8.270 nan 0.000 0.447 388 Q N -0.947 118.835 119.800 -0.030 0.000 2.561 388 Q HA -0.006 4.334 4.340 -0.000 0.000 0.217 388 Q C 0.922 176.869 176.000 -0.087 0.000 0.980 388 Q CA 1.326 57.106 55.803 -0.037 0.000 0.927 388 Q CB 0.302 29.032 28.738 -0.014 0.000 0.980 388 Q HN 0.418 nan 8.270 nan 0.000 0.525 389 A N -1.885 120.836 122.820 -0.164 0.000 2.141 389 A HA 0.054 4.374 4.320 -0.000 0.000 0.201 389 A C 1.321 178.742 177.584 -0.271 0.000 1.344 389 A CA -0.165 51.731 52.037 -0.235 0.000 0.971 389 A CB -0.089 18.725 19.000 -0.310 0.000 1.035 389 A HN 0.301 nan 8.150 nan 0.000 0.480 390 H N 1.086 120.039 119.070 -0.194 0.000 2.555 390 H HA -0.032 4.523 4.556 -0.000 0.000 0.269 390 H C 2.218 177.483 175.328 -0.105 0.000 0.988 390 H CA 1.616 57.551 56.048 -0.189 0.000 1.178 390 H CB -0.050 29.494 29.762 -0.363 0.000 1.373 390 H HN 0.687 nan 8.280 nan 0.000 0.588 391 T N -1.962 112.596 114.554 0.006 0.000 2.851 391 T HA 0.049 4.399 4.350 -0.000 0.000 0.262 391 T C 2.345 177.072 174.700 0.045 0.000 1.043 391 T CA 0.737 62.849 62.100 0.020 0.000 1.140 391 T CB -0.339 68.533 68.868 0.007 0.000 0.872 391 T HN 0.222 nan 8.240 nan 0.000 0.446 392 A N 1.546 124.396 122.820 0.050 0.000 2.070 392 A HA 0.040 4.360 4.320 -0.000 0.000 0.220 392 A C 2.597 180.260 177.584 0.133 0.000 1.159 392 A CA 1.635 53.738 52.037 0.110 0.000 0.656 392 A CB -0.971 18.117 19.000 0.146 0.000 0.800 392 A HN 0.536 nan 8.150 nan 0.000 0.453 393 S N -0.281 115.479 115.700 0.100 0.000 2.345 393 S HA -0.050 4.420 4.470 -0.000 0.000 0.220 393 S C 2.109 176.763 174.600 0.091 0.000 1.031 393 S CA 1.178 59.440 58.200 0.102 0.000 0.996 393 S CB -0.705 62.552 63.200 0.095 0.000 0.882 393 S HN 0.733 nan 8.310 nan 0.000 0.445 394 G N 1.758 110.605 108.800 0.078 0.000 2.408 394 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.217 394 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.217 394 G C 1.362 176.319 174.900 0.095 0.000 1.150 394 G CA 0.557 45.701 45.100 0.074 0.000 0.776 394 G HN 0.426 nan 8.290 nan 0.000 0.542 395 K N 0.733 121.188 120.400 0.092 0.000 2.009 395 K HA -0.053 4.266 4.320 -0.000 0.000 0.210 395 K C 2.902 179.558 176.600 0.094 0.000 1.049 395 K CA 1.275 57.623 56.287 0.102 0.000 0.929 395 K CB -0.308 32.247 32.500 0.091 0.000 0.714 395 K HN 0.250 nan 8.250 nan 0.000 0.440 396 A N 1.073 123.941 122.820 0.081 0.000 1.972 396 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 396 A C 2.366 179.976 177.584 0.044 0.000 1.169 396 A CA 1.344 53.410 52.037 0.048 0.000 0.635 396 A CB -0.548 18.483 19.000 0.052 0.000 0.810 396 A HN 0.081 nan 8.150 nan 0.000 0.446 397 V N -0.672 119.286 119.914 0.073 0.000 2.239 397 V HA -0.237 3.883 4.120 -0.000 0.000 0.242 397 V C 2.449 178.589 176.094 0.076 0.000 1.038 397 V CA 2.272 64.615 62.300 0.073 0.000 1.002 397 V CB -1.067 30.807 31.823 0.084 0.000 0.641 397 V HN 0.839 nan 8.190 nan 0.000 0.449 398 H N -0.244 118.838 119.070 0.020 0.000 2.518 398 H HA -0.125 4.431 4.556 -0.000 0.000 0.289 398 H C 1.690 177.023 175.328 0.009 0.000 1.051 398 H CA 1.435 57.492 56.048 0.014 0.000 1.280 398 H CB -0.040 29.730 29.762 0.014 0.000 1.380 398 H HN 0.307 nan 8.280 nan 0.000 0.566 399 L N -0.323 120.830 121.223 -0.116 0.000 2.162 399 L HA 0.228 4.568 4.340 -0.000 0.000 0.205 399 L C 2.319 179.107 176.870 -0.138 0.000 1.086 399 L CA 1.563 56.308 54.840 -0.158 0.000 0.778 399 L CB -0.950 41.076 42.059 -0.056 0.000 0.928 399 L HN 0.305 nan 8.230 nan 0.000 0.446 400 A N -0.130 122.640 122.820 -0.084 0.000 1.970 400 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 400 A C 2.022 179.562 177.584 -0.073 0.000 1.170 400 A CA 1.178 53.176 52.037 -0.065 0.000 0.645 400 A CB -0.565 18.417 19.000 -0.030 0.000 0.816 400 A HN 0.619 nan 8.150 nan 0.000 0.447 401 E N -0.601 119.546 120.200 -0.088 0.000 2.511 401 E HA -0.014 4.336 4.350 -0.000 0.000 0.196 401 E C 1.140 177.648 176.600 -0.153 0.000 1.066 401 E CA 1.635 57.989 56.400 -0.076 0.000 0.871 401 E CB -0.402 29.294 29.700 -0.007 0.000 0.863 401 E HN 0.335 nan 8.360 nan 0.000 0.520 402 T N -0.499 113.930 114.554 -0.209 0.000 3.056 402 T HA 0.157 4.507 4.350 -0.000 0.000 0.243 402 T C 1.111 175.742 174.700 -0.115 0.000 0.995 402 T CA 0.030 62.007 62.100 -0.206 0.000 1.091 402 T CB 0.210 68.903 68.868 -0.291 0.000 0.990 402 T HN -0.044 nan 8.240 nan 0.000 0.464 403 K N 1.264 121.604 120.400 -0.100 0.000 2.410 403 K HA 0.315 4.635 4.320 -0.000 0.000 0.200 403 K C 1.057 177.622 176.600 -0.059 0.000 1.023 403 K CA 0.042 56.285 56.287 -0.072 0.000 1.149 403 K CB 0.119 32.576 32.500 -0.071 0.000 0.859 403 K HN 0.423 nan 8.250 nan 0.000 0.514 404 G N 2.829 111.595 108.800 -0.057 0.000 2.366 404 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.299 404 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.299 404 G C 0.212 175.089 174.900 -0.038 0.000 1.020 404 G CA 1.036 46.111 45.100 -0.041 0.000 1.026 404 G HN 0.491 nan 8.290 nan 0.000 0.512 405 I N -4.203 116.342 120.570 -0.042 0.000 3.467 405 I HA 0.912 5.082 4.170 -0.000 0.000 0.314 405 I C 0.184 176.282 176.117 -0.031 0.000 1.177 405 I CA -0.846 60.429 61.300 -0.042 0.000 0.943 405 I CB 1.882 39.846 38.000 -0.061 0.000 1.338 405 I HN 0.210 nan 8.210 nan 0.000 0.482 406 T N -0.569 113.966 114.554 -0.031 0.000 2.829 406 T HA 0.423 4.773 4.350 -0.000 0.000 0.282 406 T C 1.338 176.018 174.700 -0.034 0.000 0.990 406 T CA -0.561 61.536 62.100 -0.005 0.000 1.028 406 T CB 1.435 70.316 68.868 0.021 0.000 0.951 406 T HN 0.787 nan 8.240 nan 0.000 0.460 407 I N 0.765 121.350 120.570 0.025 0.000 2.450 407 I HA -0.319 3.851 4.170 -0.000 0.000 0.260 407 I C 1.869 177.846 176.117 -0.233 0.000 1.145 407 I CA 1.905 63.225 61.300 0.034 0.000 1.413 407 I CB -0.805 37.343 38.000 0.247 0.000 1.090 407 I HN 0.737 nan 8.210 nan 0.000 0.445 408 N N 1.154 119.634 118.700 -0.367 0.000 2.415 408 N HA -0.129 4.611 4.740 -0.000 0.000 0.176 408 N C 1.106 176.286 175.510 -0.550 0.000 1.042 408 N CA 0.734 53.217 53.050 -0.945 0.000 0.902 408 N CB -0.784 37.367 38.487 -0.560 0.000 0.986 408 N HN 0.488 nan 8.380 nan 0.000 0.447 409 N N 0.959 119.479 118.700 -0.300 0.000 2.550 409 N HA 0.079 4.819 4.740 -0.000 0.000 0.186 409 N C 1.048 176.430 175.510 -0.213 0.000 1.110 409 N CA 0.063 52.986 53.050 -0.211 0.000 0.912 409 N CB 0.298 38.707 38.487 -0.130 0.000 0.968 409 N HN 0.333 nan 8.380 nan 0.000 0.448 410 L N 0.168 121.234 121.223 -0.262 0.000 2.356 410 L HA 0.018 4.358 4.340 -0.000 0.000 0.165 410 L C 1.018 177.753 176.870 -0.226 0.000 0.926 410 L CA 0.169 54.874 54.840 -0.225 0.000 1.088 410 L CB -0.184 41.726 42.059 -0.248 0.000 1.518 410 L HN 0.138 nan 8.230 nan 0.000 0.470 411 S N -2.510 113.063 115.700 -0.212 0.000 2.627 411 S HA 0.254 4.723 4.470 -0.000 0.000 0.268 411 S C -0.345 174.163 174.600 -0.153 0.000 1.130 411 S CA -0.816 57.279 58.200 -0.176 0.000 0.819 411 S CB 0.593 63.720 63.200 -0.122 0.000 1.100 411 S HN 0.233 nan 8.310 nan 0.000 0.465 412 L N 0.527 121.686 121.223 -0.107 0.000 2.622 412 L HA 0.325 4.665 4.340 -0.000 0.000 0.233 412 L C 2.010 178.861 176.870 -0.031 0.000 1.156 412 L CA 1.165 55.973 54.840 -0.054 0.000 0.866 412 L CB -1.002 41.050 42.059 -0.011 0.000 0.980 412 L HN 0.856 nan 8.230 nan 0.000 0.448 413 E N -0.347 119.825 120.200 -0.048 0.000 2.445 413 E HA -0.015 4.335 4.350 -0.000 0.000 0.189 413 E C 0.163 176.744 176.600 -0.032 0.000 1.069 413 E CA 0.420 56.801 56.400 -0.032 0.000 0.871 413 E CB 0.072 29.750 29.700 -0.037 0.000 0.991 413 E HN 0.567 nan 8.360 nan 0.000 0.481 414 D N -2.113 118.262 120.400 -0.041 0.000 2.662 414 D HA 0.088 4.728 4.640 -0.000 0.000 0.132 414 D C 1.373 177.660 176.300 -0.022 0.000 1.465 414 D CA -0.227 53.750 54.000 -0.037 0.000 1.524 414 D CB -0.423 40.338 40.800 -0.065 0.000 1.871 414 D HN -0.040 nan 8.370 nan 0.000 0.213 415 L N 1.084 122.252 121.223 -0.091 0.000 2.085 415 L HA -0.284 4.056 4.340 -0.000 0.000 0.218 415 L C 2.205 179.166 176.870 0.151 0.000 1.080 415 L CA 1.548 56.315 54.840 -0.122 0.000 0.776 415 L CB -0.462 41.239 42.059 -0.596 0.000 0.891 415 L HN 0.131 nan 8.230 nan 0.000 0.437 416 K N -0.347 120.133 120.400 0.133 0.000 2.442 416 K HA -0.146 4.174 4.320 -0.000 0.000 0.199 416 K C 1.784 178.483 176.600 0.165 0.000 1.044 416 K CA 1.352 57.772 56.287 0.221 0.000 0.941 416 K CB 0.117 32.692 32.500 0.125 0.000 0.759 416 K HN 0.325 nan 8.250 nan 0.000 0.472 417 S N 0.359 116.133 115.700 0.123 0.000 2.441 417 S HA 0.092 4.562 4.470 -0.000 0.000 0.224 417 S C 1.641 176.307 174.600 0.110 0.000 1.043 417 S CA 0.256 58.509 58.200 0.089 0.000 0.948 417 S CB 0.010 63.242 63.200 0.053 0.000 0.810 417 S HN 0.248 nan 8.310 nan 0.000 0.504 418 I N 1.329 121.990 120.570 0.151 0.000 2.916 418 I HA 0.026 4.195 4.170 -0.000 0.000 0.267 418 I C 0.794 177.021 176.117 0.183 0.000 1.263 418 I CA 0.498 61.899 61.300 0.168 0.000 1.471 418 I CB 0.010 38.132 38.000 0.204 0.000 1.089 418 I HN 0.157 nan 8.210 nan 0.000 0.468 419 S N -0.926 114.898 115.700 0.208 0.000 2.602 419 S HA 0.255 4.725 4.470 -0.000 0.000 0.301 419 S C -2.404 172.232 174.600 0.059 0.000 1.091 419 S CA -0.820 57.423 58.200 0.072 0.000 0.895 419 S CB 1.364 64.515 63.200 -0.082 0.000 1.090 419 S HN -0.247 nan 8.310 nan 0.000 0.449 420 P HA 0.055 nan 4.420 nan 0.000 0.236 420 P C -0.429 176.858 177.300 -0.020 0.000 1.172 420 P CA 0.713 63.819 63.100 0.011 0.000 0.759 420 P CB 0.107 31.801 31.700 -0.010 0.000 0.843 421 Q N -0.206 119.519 119.800 -0.125 0.000 2.571 421 Q HA 0.350 4.690 4.340 -0.000 0.000 0.243 421 Q C -0.854 174.990 176.000 -0.260 0.000 1.055 421 Q CA -0.160 55.518 55.803 -0.209 0.000 0.815 421 Q CB 0.258 28.780 28.738 -0.358 0.000 1.151 421 Q HN 0.137 nan 8.270 nan 0.000 0.519 422 F N -0.533 119.576 119.950 0.265 0.000 2.598 422 F HA 0.073 4.600 4.527 -0.000 0.000 0.397 422 F C 0.540 176.429 175.800 0.147 0.000 1.402 422 F CA -0.615 57.549 58.000 0.273 0.000 1.072 422 F CB 0.315 39.389 39.000 0.124 0.000 2.048 422 F HN 0.125 nan 8.300 nan 0.000 0.492 423 S N 0.283 116.197 115.700 0.356 0.000 2.580 423 S HA 0.070 4.540 4.470 -0.000 0.000 0.261 423 S C 1.529 176.218 174.600 0.147 0.000 1.366 423 S CA 0.580 58.905 58.200 0.208 0.000 0.996 423 S CB 0.629 63.939 63.200 0.183 0.000 0.902 423 S HN 0.538 nan 8.310 nan 0.000 0.566 424 S N 0.709 116.461 115.700 0.087 0.000 2.711 424 S HA -0.076 4.394 4.470 -0.000 0.000 0.237 424 S C 0.704 175.326 174.600 0.036 0.000 0.971 424 S CA 0.908 59.133 58.200 0.042 0.000 0.964 424 S CB -0.608 62.608 63.200 0.027 0.000 0.775 424 S HN 0.815 nan 8.310 nan 0.000 0.540 425 D N 0.374 120.814 120.400 0.067 0.000 2.392 425 D HA 0.052 4.692 4.640 -0.000 0.000 0.206 425 D C 1.558 177.849 176.300 -0.015 0.000 1.046 425 D CA 0.057 54.094 54.000 0.062 0.000 0.865 425 D CB -0.647 40.229 40.800 0.127 0.000 0.969 425 D HN 0.322 nan 8.370 nan 0.000 0.509 426 V N 1.465 121.281 119.914 -0.165 0.000 3.026 426 V HA -0.210 3.910 4.120 -0.000 0.000 0.265 426 V C 2.061 178.094 176.094 -0.102 0.000 1.121 426 V CA 2.251 64.239 62.300 -0.521 0.000 1.142 426 V CB -0.881 30.569 31.823 -0.622 0.000 0.730 426 V HN 0.405 nan 8.190 nan 0.000 0.503 427 S N -0.670 115.018 115.700 -0.019 0.000 2.419 427 S HA -0.287 4.183 4.470 -0.000 0.000 0.233 427 S C 1.778 176.451 174.600 0.123 0.000 1.016 427 S CA 1.563 59.795 58.200 0.053 0.000 0.974 427 S CB -0.504 62.685 63.200 -0.019 0.000 0.786 427 S HN 0.779 nan 8.310 nan 0.000 0.492 428 Q N 0.716 120.546 119.800 0.050 0.000 2.226 428 Q HA -0.003 4.337 4.340 -0.000 0.000 0.204 428 Q C 2.200 178.203 176.000 0.005 0.000 0.975 428 Q CA 1.311 57.136 55.803 0.036 0.000 0.866 428 Q CB -0.547 28.206 28.738 0.025 0.000 0.915 428 Q HN 0.526 nan 8.270 nan 0.000 0.440 429 V N 0.317 120.205 119.914 -0.044 0.000 2.469 429 V HA -0.212 3.908 4.120 -0.000 0.000 0.251 429 V C 0.882 176.730 176.094 -0.410 0.000 1.064 429 V CA 1.369 63.522 62.300 -0.244 0.000 1.066 429 V CB -0.471 31.106 31.823 -0.410 0.000 0.667 429 V HN 0.253 nan 8.190 nan 0.000 0.461 430 F N 1.458 121.314 119.950 -0.157 0.000 2.752 430 F HA 0.384 4.911 4.527 -0.000 0.000 0.332 430 F C 0.611 176.302 175.800 -0.181 0.000 1.188 430 F CA -0.316 57.565 58.000 -0.199 0.000 1.296 430 F CB -0.519 38.393 39.000 -0.147 0.000 1.526 430 F HN 0.108 nan 8.300 nan 0.000 0.576 431 N N 0.383 119.009 118.700 -0.125 0.000 2.454 431 N HA 0.135 4.875 4.740 -0.000 0.000 0.291 431 N C 0.153 175.601 175.510 -0.102 0.000 1.079 431 N CA -0.371 52.665 53.050 -0.024 0.000 0.893 431 N CB 0.776 39.284 38.487 0.034 0.000 1.512 431 N HN 0.073 nan 8.380 nan 0.000 0.497 432 F N 1.841 121.805 119.950 0.024 0.000 2.259 432 F HA -0.033 4.494 4.527 -0.000 0.000 0.298 432 F C 2.253 178.069 175.800 0.026 0.000 1.088 432 F CA 0.514 58.524 58.000 0.018 0.000 1.358 432 F CB -0.067 38.937 39.000 0.007 0.000 1.040 432 F HN 0.319 nan 8.300 nan 0.000 0.505 433 V N 0.359 120.390 119.914 0.195 0.000 2.307 433 V HA -0.267 3.853 4.120 -0.000 0.000 0.245 433 V C 2.137 178.285 176.094 0.090 0.000 1.045 433 V CA 1.856 64.231 62.300 0.125 0.000 1.024 433 V CB -0.597 31.283 31.823 0.095 0.000 0.651 433 V HN 0.344 nan 8.190 nan 0.000 0.449 434 N N -0.136 118.600 118.700 0.061 0.000 2.289 434 N HA -0.141 4.599 4.740 -0.000 0.000 0.184 434 N C 2.122 177.646 175.510 0.023 0.000 1.016 434 N CA 1.595 54.664 53.050 0.031 0.000 0.872 434 N CB -0.300 38.191 38.487 0.007 0.000 0.973 434 N HN 0.456 nan 8.380 nan 0.000 0.433 435 S N 0.604 116.315 115.700 0.018 0.000 2.348 435 S HA -0.077 4.393 4.470 -0.000 0.000 0.221 435 S C 2.102 176.800 174.600 0.163 0.000 1.033 435 S CA 1.099 59.318 58.200 0.032 0.000 1.010 435 S CB -0.259 62.930 63.200 -0.019 0.000 0.891 435 S HN 0.060 nan 8.310 nan 0.000 0.442 436 V N 2.440 122.463 119.914 0.181 0.000 2.343 436 V HA -0.071 4.049 4.120 -0.000 0.000 0.247 436 V C 2.469 178.710 176.094 0.244 0.000 1.051 436 V CA 1.734 64.180 62.300 0.243 0.000 1.036 436 V CB -0.720 31.195 31.823 0.154 0.000 0.654 436 V HN 0.457 nan 8.190 nan 0.000 0.451 437 E N 0.165 120.444 120.200 0.132 0.000 2.455 437 E HA -0.237 4.113 4.350 -0.000 0.000 0.202 437 E C 2.146 178.768 176.600 0.037 0.000 1.045 437 E CA 0.817 57.267 56.400 0.084 0.000 0.872 437 E CB -0.268 29.463 29.700 0.052 0.000 0.792 437 E HN 0.718 nan 8.360 nan 0.000 0.542 438 Q N -0.609 119.185 119.800 -0.010 0.000 2.230 438 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 438 Q C 0.254 176.061 176.000 -0.321 0.000 0.963 438 Q CA 0.698 56.371 55.803 -0.216 0.000 0.866 438 Q CB -0.063 28.431 28.738 -0.406 0.000 0.931 438 Q HN 0.377 nan 8.270 nan 0.000 0.452 439 Y N 1.029 121.340 120.300 0.017 0.000 2.735 439 Y HA 0.050 4.600 4.550 -0.000 0.000 0.354 439 Y C 1.354 177.263 175.900 0.016 0.000 1.288 439 Y CA 0.138 58.249 58.100 0.018 0.000 1.836 439 Y CB -0.392 38.081 38.460 0.022 0.000 1.920 439 Y HN 0.105 nan 8.280 nan 0.000 0.438 440 T N -2.693 111.897 114.554 0.059 0.000 3.067 440 T HA 0.252 4.602 4.350 -0.000 0.000 0.257 440 T C 1.169 175.896 174.700 0.045 0.000 1.105 440 T CA 0.172 62.301 62.100 0.049 0.000 1.104 440 T CB -0.014 68.864 68.868 0.017 0.000 0.925 440 T HN 0.411 nan 8.240 nan 0.000 0.498 441 A N 1.914 124.760 122.820 0.044 0.000 2.483 441 A HA 0.483 4.803 4.320 -0.000 0.000 0.238 441 A C 0.482 178.096 177.584 0.050 0.000 1.070 441 A CA -0.552 51.509 52.037 0.039 0.000 0.770 441 A CB -0.336 18.686 19.000 0.037 0.000 1.008 441 A HN 0.596 nan 8.150 nan 0.000 0.497 442 L N 1.088 122.330 121.223 0.033 0.000 2.667 442 L HA 0.099 4.439 4.340 -0.000 0.000 0.278 442 L C 1.369 178.258 176.870 0.032 0.000 1.217 442 L CA 1.242 56.099 54.840 0.028 0.000 0.935 442 L CB -0.361 41.708 42.059 0.017 0.000 1.193 442 L HN 1.371 nan 8.230 nan 0.000 0.493 443 A N 2.105 124.942 122.820 0.028 0.000 3.563 443 A HA -0.114 4.206 4.320 -0.000 0.000 0.236 443 A C 0.894 178.498 177.584 0.033 0.000 1.113 443 A CA 0.432 52.481 52.037 0.020 0.000 1.576 443 A CB -2.218 nan 19.000 nan 0.000 0.969 443 A HN 0.887 nan 8.150 nan 0.000 0.844 444 G N -1.356 107.486 108.800 0.070 0.000 2.653 444 G HA2 0.420 4.380 3.960 -0.000 0.000 0.265 444 G HA3 0.420 4.380 3.960 -0.000 0.000 0.265 444 G C 0.872 175.816 174.900 0.072 0.000 1.237 444 G CA 0.989 46.159 45.100 0.116 0.000 0.946 444 G HN 1.033 nan 8.290 nan 0.000 0.522 445 T N -0.919 113.680 114.554 0.076 0.000 3.081 445 T HA 0.393 4.743 4.350 -0.000 0.000 0.250 445 T C 1.359 176.116 174.700 0.095 0.000 1.100 445 T CA 0.804 62.926 62.100 0.036 0.000 1.038 445 T CB -0.671 68.160 68.868 -0.062 0.000 0.962 445 T HN 0.847 nan 8.240 nan 0.000 0.516 446 A N 1.249 124.157 122.820 0.148 0.000 2.507 446 A HA 0.247 4.567 4.320 -0.000 0.000 0.235 446 A C 1.480 179.110 177.584 0.077 0.000 1.070 446 A CA 0.040 52.148 52.037 0.118 0.000 0.768 446 A CB 0.046 19.111 19.000 0.109 0.000 1.011 446 A HN 0.529 nan 8.150 nan 0.000 0.502 447 K N 0.775 121.214 120.400 0.066 0.000 2.211 447 K HA -0.167 4.153 4.320 -0.000 0.000 0.204 447 K C 2.080 178.704 176.600 0.041 0.000 1.047 447 K CA 1.864 58.181 56.287 0.051 0.000 0.935 447 K CB -0.118 32.412 32.500 0.049 0.000 0.728 447 K HN 0.887 nan 8.250 nan 0.000 0.452 448 S N -0.778 114.947 115.700 0.041 0.000 2.371 448 S HA -0.099 4.371 4.470 -0.000 0.000 0.224 448 S C 2.094 176.712 174.600 0.031 0.000 1.029 448 S CA 1.327 59.546 58.200 0.033 0.000 0.978 448 S CB -0.180 63.038 63.200 0.030 0.000 0.833 448 S HN 0.264 nan 8.310 nan 0.000 0.466 449 S N 0.804 116.528 115.700 0.040 0.000 2.383 449 S HA -0.027 4.443 4.470 -0.000 0.000 0.227 449 S C 1.817 176.433 174.600 0.026 0.000 1.026 449 S CA 1.171 59.394 58.200 0.037 0.000 0.981 449 S CB -0.636 62.596 63.200 0.055 0.000 0.818 449 S HN 0.433 nan 8.310 nan 0.000 0.472 450 V N 2.119 122.050 119.914 0.027 0.000 2.270 450 V HA -0.146 3.974 4.120 -0.000 0.000 0.245 450 V C 2.931 179.032 176.094 0.011 0.000 1.043 450 V CA 2.172 64.481 62.300 0.016 0.000 1.014 450 V CB -1.729 30.107 31.823 0.022 0.000 0.645 450 V HN 0.806 nan 8.190 nan 0.000 0.447 451 T N -1.976 112.589 114.554 0.018 0.000 2.699 451 T HA -0.287 4.063 4.350 -0.000 0.000 0.268 451 T C 1.785 176.491 174.700 0.010 0.000 1.036 451 T CA 2.284 64.393 62.100 0.015 0.000 1.147 451 T CB -1.010 67.869 68.868 0.019 0.000 0.862 451 T HN 0.461 nan 8.240 nan 0.000 0.446 452 T N 2.112 116.673 114.554 0.012 0.000 2.720 452 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 452 T C 2.192 176.893 174.700 0.003 0.000 1.037 452 T CA 1.638 63.743 62.100 0.008 0.000 1.144 452 T CB -0.420 68.454 68.868 0.011 0.000 0.864 452 T HN 0.561 nan 8.240 nan 0.000 0.444 453 Q N 0.264 120.064 119.800 -0.000 0.000 2.061 453 Q HA -0.048 4.292 4.340 -0.000 0.000 0.204 453 Q C 2.420 178.414 176.000 -0.011 0.000 0.984 453 Q CA 1.355 57.152 55.803 -0.009 0.000 0.846 453 Q CB -0.420 28.308 28.738 -0.017 0.000 0.902 453 Q HN 0.522 nan 8.270 nan 0.000 0.421 454 I N 0.845 121.410 120.570 -0.009 0.000 2.208 454 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 454 I C 2.013 178.128 176.117 -0.003 0.000 1.097 454 I CA 1.337 62.633 61.300 -0.008 0.000 1.363 454 I CB -0.336 37.663 38.000 -0.002 0.000 1.051 454 I HN 0.265 nan 8.210 nan 0.000 0.413 455 E N 0.412 120.612 120.200 0.000 0.000 2.106 455 E HA -0.230 4.120 4.350 -0.000 0.000 0.192 455 E C 2.212 178.812 176.600 -0.000 0.000 0.984 455 E CA 0.873 57.274 56.400 0.002 0.000 0.806 455 E CB -0.073 29.629 29.700 0.004 0.000 0.750 455 E HN 0.572 nan 8.360 nan 0.000 0.458 456 Q N 0.387 120.186 119.800 -0.002 0.000 2.119 456 Q HA -0.101 4.239 4.340 -0.000 0.000 0.201 456 Q C 2.255 178.252 176.000 -0.005 0.000 0.972 456 Q CA 0.908 56.709 55.803 -0.003 0.000 0.847 456 Q CB 0.006 28.741 28.738 -0.005 0.000 0.903 456 Q HN 0.303 nan 8.270 nan 0.000 0.433 457 L N -0.021 121.198 121.223 -0.008 0.000 2.156 457 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 457 L C 2.317 179.185 176.870 -0.004 0.000 1.095 457 L CA 0.891 55.726 54.840 -0.009 0.000 0.770 457 L CB -0.234 41.815 42.059 -0.016 0.000 0.914 457 L HN 0.139 nan 8.230 nan 0.000 0.439 458 R N -0.370 120.129 120.500 -0.002 0.000 2.115 458 R HA -0.107 4.233 4.340 -0.000 0.000 0.230 458 R C 2.129 178.430 176.300 0.002 0.000 1.111 458 R CA 0.713 56.813 56.100 0.001 0.000 0.976 458 R CB -0.080 30.222 30.300 0.003 0.000 0.870 458 R HN 0.323 nan 8.270 nan 0.000 0.445 459 E N 0.691 120.891 120.200 0.001 0.000 2.046 459 E HA -0.115 4.235 4.350 -0.000 0.000 0.190 459 E C 2.111 178.711 176.600 0.001 0.000 0.982 459 E CA 0.741 57.142 56.400 0.001 0.000 0.800 459 E CB -0.067 29.634 29.700 0.001 0.000 0.756 459 E HN 0.168 nan 8.360 nan 0.000 0.449 460 L N 0.497 121.720 121.223 0.000 0.000 2.013 460 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 460 L C 2.487 179.359 176.870 0.003 0.000 1.073 460 L CA 1.592 56.434 54.840 0.002 0.000 0.753 460 L CB -1.073 40.987 42.059 0.002 0.000 0.890 460 L HN 0.228 nan 8.230 nan 0.000 0.432 461 M N -0.633 118.969 119.600 0.003 0.000 2.077 461 M HA -0.229 4.251 4.480 -0.000 0.000 0.261 461 M C 2.149 178.450 176.300 0.003 0.000 1.070 461 M CA 1.498 56.801 55.300 0.005 0.000 1.125 461 M CB -0.500 32.104 32.600 0.007 0.000 1.339 461 M HN 0.098 nan 8.290 nan 0.000 0.409 462 K N 0.520 120.921 120.400 0.002 0.000 2.442 462 K HA -0.216 4.104 4.320 -0.000 0.000 0.199 462 K C 1.794 178.394 176.600 -0.001 0.000 1.044 462 K CA 1.260 57.547 56.287 0.001 0.000 0.941 462 K CB 0.148 32.649 32.500 0.001 0.000 0.759 462 K HN -0.012 nan 8.250 nan 0.000 0.472 463 K N -0.034 120.366 120.400 -0.001 0.000 2.262 463 K HA 0.066 4.386 4.320 -0.000 0.000 0.200 463 K C 1.704 178.301 176.600 -0.004 0.000 1.058 463 K CA 0.613 56.898 56.287 -0.002 0.000 0.974 463 K CB 0.217 32.716 32.500 -0.001 0.000 0.910 463 K HN -0.021 nan 8.250 nan 0.000 0.484 464 Q N 1.059 120.858 119.800 -0.003 0.000 2.515 464 Q HA -0.087 4.253 4.340 -0.000 0.000 0.215 464 Q C -0.102 175.892 176.000 -0.011 0.000 0.983 464 Q CA 1.140 56.940 55.803 -0.005 0.000 0.905 464 Q CB -0.091 28.648 28.738 0.001 0.000 0.961 464 Q HN 0.296 nan 8.270 nan 0.000 0.503 465 K N 0.000 120.394 120.400 -0.010 0.000 2.780 465 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 465 K CA 0.000 56.279 56.287 -0.013 0.000 0.838 465 K CB 0.000 32.494 32.500 -0.010 0.000 1.064 465 K HN 0.000 nan 8.250 nan 0.000 0.543