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 3fr7_1_A DATA FIRST_RESID 86 DATA SEQUENCE LDFDTSVFNK EKVSLAGHEE YIVRGGRNLF PLLPEAFKGI KQIGVIGWGS DATA SEQUENCE QGPAQAQNLR DSLAEAKSDI VVKIGLRKGS KSFDEARAAG FTEESGTLGD DATA SEQUENCE IWETVSGSDL VLLLISDAAQ ADNYEKIFSH MKPNSILGLS HGFLLGHLQS DATA SEQUENCE AGLDFPKNIS VIAVCPKGMG PSVRRLYVQG KEINGAGINS SFAVHQDVDG DATA SEQUENCE RATDVALGWS VALGSPFTFA TTLEQEYKSD IFGERGILLG AVHGIVEALF DATA SEQUENCE RRYTEQGMDE EMAYKNTVEG ITGIISKTIS KKGMLEVYNS LTEEGKKEFN DATA SEQUENCE KAYSASFYPC MDILYECYED VASGSEIRSV VLAGRRFYEK EGLPAFPMGN DATA SEQUENCE IDQTRMWKVG EKVRSTRPEN DLGPLHPFTA GVYVALMMAQ IEVLRKKGHS DATA SEQUENCE YSEIINESVI ESVDSLNPFM HARGVAFMVD NCSTTARLGS RKWAPRFDYI DATA SEQUENCE LTQQAFVTVD KDAPINQDLI SNFMSDPVHG AIEVCAELRP TVDIS 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 86 L HA 0.000 nan 4.340 nan 0.000 0.249 86 L C 0.000 177.036 176.870 0.277 0.000 1.165 86 L CA 0.000 54.932 54.840 0.154 0.000 0.813 86 L CB 0.000 42.133 42.059 0.124 0.000 0.961 87 D N 2.923 123.464 120.400 0.235 0.000 2.392 87 D HA 0.826 5.466 4.640 -0.001 0.000 0.246 87 D C -1.194 175.243 176.300 0.228 0.000 1.013 87 D CA 0.174 54.284 54.000 0.184 0.000 0.993 87 D CB 1.807 42.656 40.800 0.082 0.000 1.219 87 D HN 0.327 nan 8.370 nan 0.000 0.538 88 F N -0.817 119.156 119.950 0.038 0.000 2.668 88 F HA 0.492 5.019 4.527 -0.001 0.000 0.309 88 F C -1.352 174.454 175.800 0.009 0.000 1.117 88 F CA -1.156 56.893 58.000 0.081 0.000 0.951 88 F CB 1.246 40.401 39.000 0.258 0.000 1.323 88 F HN 0.000 nan 8.300 nan 0.000 0.451 89 D N 1.041 121.578 120.400 0.229 0.000 2.440 89 D HA 0.377 5.017 4.640 -0.001 0.000 0.239 89 D C -1.209 175.208 176.300 0.196 0.000 1.084 89 D CA 0.132 54.191 54.000 0.098 0.000 0.843 89 D CB 1.723 42.559 40.800 0.060 0.000 1.097 89 D HN 0.846 nan 8.370 nan 0.000 0.531 90 T N 1.771 116.427 114.554 0.169 0.000 2.792 90 T HA 0.351 4.700 4.350 -0.001 0.000 0.280 90 T C 0.786 175.532 174.700 0.077 0.000 0.990 90 T CA -0.516 61.696 62.100 0.186 0.000 0.960 90 T CB 1.074 70.132 68.868 0.317 0.000 0.939 90 T HN 0.169 nan 8.240 nan 0.000 0.439 91 S N 3.088 118.810 115.700 0.037 0.000 2.496 91 S HA 0.036 4.506 4.470 -0.001 0.000 0.224 91 S C 1.748 176.296 174.600 -0.087 0.000 0.996 91 S CA 0.203 58.391 58.200 -0.020 0.000 0.927 91 S CB 0.165 63.353 63.200 -0.021 0.000 0.774 91 S HN 0.633 nan 8.310 nan 0.000 0.524 92 V N 0.124 119.944 119.914 -0.157 0.000 2.788 92 V HA 0.289 4.409 4.120 -0.001 0.000 0.241 92 V C 0.220 175.993 176.094 -0.535 0.000 1.083 92 V CA 0.724 62.767 62.300 -0.428 0.000 1.103 92 V CB -0.204 31.191 31.823 -0.713 0.000 0.800 92 V HN 0.300 nan 8.190 nan 0.000 0.476 93 F N 0.367 120.304 119.950 -0.022 0.000 2.450 93 F HA 0.506 5.032 4.527 -0.001 0.000 0.328 93 F C 0.315 176.116 175.800 0.002 0.000 1.068 93 F CA -1.112 56.879 58.000 -0.016 0.000 1.007 93 F CB 0.522 39.506 39.000 -0.026 0.000 1.251 93 F HN -0.103 nan 8.300 nan 0.000 0.492 94 N N 1.458 120.290 118.700 0.221 0.000 2.426 94 N HA 0.154 4.893 4.740 -0.001 0.000 0.257 94 N C -1.102 174.489 175.510 0.135 0.000 1.002 94 N CA -0.525 52.599 53.050 0.122 0.000 0.942 94 N CB 0.744 39.283 38.487 0.086 0.000 1.112 94 N HN 0.507 nan 8.380 nan 0.000 0.499 95 K N 2.064 122.516 120.400 0.087 0.000 2.297 95 K HA 0.133 4.452 4.320 -0.001 0.000 0.286 95 K C -0.526 176.161 176.600 0.145 0.000 1.053 95 K CA -0.305 56.036 56.287 0.090 0.000 0.940 95 K CB 0.537 32.921 32.500 -0.192 0.000 1.019 95 K HN 0.590 nan 8.250 nan 0.000 0.475 96 E N 3.805 124.130 120.200 0.209 0.000 2.207 96 E HA 0.191 4.541 4.350 -0.001 0.000 0.270 96 E C -1.245 175.490 176.600 0.224 0.000 0.927 96 E CA -0.827 55.687 56.400 0.190 0.000 0.799 96 E CB 1.356 31.150 29.700 0.156 0.000 1.172 96 E HN 0.362 nan 8.360 nan 0.000 0.404 97 K N 2.166 122.653 120.400 0.144 0.000 2.130 97 K HA 0.443 4.762 4.320 -0.001 0.000 0.268 97 K C -1.301 175.314 176.600 0.024 0.000 0.983 97 K CA -0.657 55.652 56.287 0.036 0.000 0.893 97 K CB 1.413 33.892 32.500 -0.036 0.000 1.066 97 K HN 0.273 nan 8.250 nan 0.000 0.450 98 V N 1.498 121.413 119.914 0.002 0.000 2.823 98 V HA 0.361 4.481 4.120 -0.001 0.000 0.312 98 V C -0.811 175.279 176.094 -0.006 0.000 1.072 98 V CA -0.861 61.446 62.300 0.011 0.000 0.937 98 V CB 1.947 33.799 31.823 0.048 0.000 1.013 98 V HN 0.789 nan 8.190 nan 0.000 0.430 99 S N 3.894 119.586 115.700 -0.013 0.000 2.519 99 S HA 0.797 5.266 4.470 -0.001 0.000 0.309 99 S C -1.147 173.432 174.600 -0.035 0.000 1.100 99 S CA -0.486 57.699 58.200 -0.025 0.000 1.059 99 S CB 0.487 63.659 63.200 -0.047 0.000 1.008 99 S HN 0.557 nan 8.310 nan 0.000 0.478 100 L N 3.968 125.174 121.223 -0.029 0.000 2.372 100 L HA 0.643 4.983 4.340 -0.001 0.000 0.274 100 L C 0.736 177.479 176.870 -0.212 0.000 0.988 100 L CA -0.866 53.901 54.840 -0.121 0.000 0.833 100 L CB 1.530 43.545 42.059 -0.074 0.000 1.236 100 L HN 0.922 nan 8.230 nan 0.000 0.410 101 A N 2.637 125.280 122.820 -0.294 0.000 2.704 101 A HA -0.072 4.247 4.320 -0.001 0.000 0.299 101 A C 1.415 178.874 177.584 -0.208 0.000 1.507 101 A CA 1.161 53.033 52.037 -0.275 0.000 0.776 101 A CB -1.824 16.873 19.000 -0.505 0.000 1.027 101 A HN 1.773 nan 8.150 nan 0.000 0.475 102 G N -2.575 106.100 108.800 -0.208 0.000 2.179 102 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.260 102 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.260 102 G C -0.133 174.556 174.900 -0.352 0.000 0.977 102 G CA 0.996 45.930 45.100 -0.276 0.000 0.641 102 G HN 1.724 nan 8.290 nan 0.000 0.533 103 H N 1.019 120.080 119.070 -0.015 0.000 2.541 103 H HA 0.541 5.097 4.556 -0.001 0.000 0.316 103 H C 0.030 175.356 175.328 -0.003 0.000 1.043 103 H CA -0.558 55.505 56.048 0.024 0.000 1.232 103 H CB 0.910 30.747 29.762 0.125 0.000 1.406 103 H HN 0.409 nan 8.280 nan 0.000 0.469 104 E N 2.905 123.136 120.200 0.052 0.000 2.331 104 E HA 0.210 4.560 4.350 -0.001 0.000 0.272 104 E C -0.318 176.245 176.600 -0.062 0.000 1.036 104 E CA -0.326 56.047 56.400 -0.045 0.000 0.864 104 E CB 1.372 30.993 29.700 -0.131 0.000 1.035 104 E HN 0.610 nan 8.360 nan 0.000 0.408 105 E N 1.335 121.488 120.200 -0.079 0.000 2.393 105 E HA 0.315 4.664 4.350 -0.001 0.000 0.273 105 E C -1.309 175.234 176.600 -0.095 0.000 0.918 105 E CA -0.764 55.616 56.400 -0.033 0.000 0.773 105 E CB 1.589 31.374 29.700 0.142 0.000 1.275 105 E HN 0.372 nan 8.360 nan 0.000 0.451 106 Y N 1.054 121.466 120.300 0.187 0.000 2.361 106 Y HA 0.479 5.028 4.550 -0.001 0.000 0.332 106 Y C 0.397 176.487 175.900 0.317 0.000 1.101 106 Y CA -0.798 57.419 58.100 0.195 0.000 1.137 106 Y CB 1.112 39.621 38.460 0.083 0.000 1.207 106 Y HN 0.355 nan 8.280 nan 0.000 0.463 107 I N -0.872 119.937 120.570 0.397 0.000 3.042 107 I HA 0.833 5.002 4.170 -0.001 0.000 0.310 107 I C -1.596 174.674 176.117 0.254 0.000 1.117 107 I CA -1.327 60.109 61.300 0.227 0.000 1.003 107 I CB 2.224 40.199 38.000 -0.042 0.000 1.228 107 I HN 0.214 nan 8.210 nan 0.000 0.443 108 V N 2.969 122.945 119.914 0.105 0.000 2.407 108 V HA 0.449 4.569 4.120 -0.001 0.000 0.291 108 V C 0.110 176.162 176.094 -0.070 0.000 1.018 108 V CA -0.519 61.795 62.300 0.024 0.000 0.842 108 V CB 1.323 33.072 31.823 -0.123 0.000 0.996 108 V HN 0.736 nan 8.190 nan 0.000 0.426 109 R N 2.644 123.109 120.500 -0.059 0.000 2.543 109 R HA 0.503 4.842 4.340 -0.001 0.000 0.277 109 R C 0.655 176.799 176.300 -0.260 0.000 1.074 109 R CA 0.337 56.283 56.100 -0.257 0.000 1.076 109 R CB 0.953 31.147 30.300 -0.178 0.000 0.993 109 R HN 0.898 nan 8.270 nan 0.000 0.459 110 G N 0.660 109.247 108.800 -0.355 0.000 2.568 110 G HA2 0.637 4.597 3.960 -0.001 0.000 0.293 110 G HA3 0.637 4.597 3.960 -0.001 0.000 0.293 110 G C -0.543 174.235 174.900 -0.202 0.000 1.347 110 G CA -0.251 44.718 45.100 -0.217 0.000 1.039 110 G HN 0.880 nan 8.290 nan 0.000 0.523 111 G N -2.029 106.676 108.800 -0.159 0.000 2.307 111 G HA2 0.092 4.051 3.960 -0.001 0.000 0.348 111 G HA3 0.092 4.051 3.960 -0.001 0.000 0.348 111 G C 0.364 175.019 174.900 -0.409 0.000 1.603 111 G CA -0.423 44.534 45.100 -0.239 0.000 0.961 111 G HN 0.590 nan 8.290 nan 0.000 0.686 112 R N 0.544 120.664 120.500 -0.632 0.000 2.152 112 R HA -0.132 4.207 4.340 -0.001 0.000 0.232 112 R C 2.307 178.227 176.300 -0.633 0.000 1.117 112 R CA 1.494 56.919 56.100 -1.124 0.000 0.981 112 R CB -0.132 29.698 30.300 -0.782 0.000 0.870 112 R HN 0.675 nan 8.270 nan 0.000 0.451 113 N N 1.235 119.746 118.700 -0.316 0.000 2.585 113 N HA -0.148 4.591 4.740 -0.001 0.000 0.188 113 N C 1.327 176.802 175.510 -0.059 0.000 1.102 113 N CA 1.007 53.968 53.050 -0.148 0.000 0.920 113 N CB -0.250 38.176 38.487 -0.102 0.000 0.963 113 N HN 0.312 nan 8.380 nan 0.000 0.447 114 L N -1.280 119.920 121.223 -0.037 0.000 2.585 114 L HA 0.192 4.531 4.340 -0.001 0.000 0.226 114 L C 1.295 178.350 176.870 0.309 0.000 1.113 114 L CA -0.129 54.796 54.840 0.142 0.000 0.876 114 L CB -0.297 41.889 42.059 0.212 0.000 1.072 114 L HN -0.139 nan 8.230 nan 0.000 0.468 115 F N 1.287 121.272 119.950 0.058 0.000 2.161 115 F HA -0.069 4.458 4.527 -0.000 0.000 0.300 115 F C -0.099 175.728 175.800 0.044 0.000 1.089 115 F CA 0.474 58.515 58.000 0.068 0.000 1.282 115 F CB -2.297 36.748 39.000 0.075 0.000 1.010 115 F HN 0.116 nan 8.300 nan 0.000 0.485 116 P HA -0.149 nan 4.420 nan 0.000 0.223 116 P C 1.741 179.064 177.300 0.039 0.000 1.144 116 P CA 1.258 64.418 63.100 0.100 0.000 0.783 116 P CB -0.161 31.576 31.700 0.060 0.000 0.771 117 L N -2.122 119.115 121.223 0.025 0.000 2.492 117 L HA -0.002 4.337 4.340 -0.001 0.000 0.223 117 L C 2.104 178.892 176.870 -0.137 0.000 1.132 117 L CA 0.354 55.129 54.840 -0.108 0.000 0.850 117 L CB -0.623 41.292 42.059 -0.240 0.000 0.966 117 L HN -0.001 nan 8.230 nan 0.000 0.454 118 L N 0.170 121.365 121.223 -0.047 0.000 2.046 118 L HA -0.123 4.216 4.340 -0.001 0.000 0.208 118 L C -0.131 176.664 176.870 -0.125 0.000 1.077 118 L CA 1.284 56.022 54.840 -0.170 0.000 0.747 118 L CB -1.710 40.299 42.059 -0.083 0.000 0.896 118 L HN 0.222 nan 8.230 nan 0.000 0.432 119 P HA -0.219 nan 4.420 nan 0.000 0.215 119 P C 1.415 178.724 177.300 0.015 0.000 1.153 119 P CA 1.399 64.534 63.100 0.057 0.000 0.853 119 P CB 0.083 31.810 31.700 0.045 0.000 0.788 120 E N -0.453 119.712 120.200 -0.059 0.000 2.072 120 E HA -0.170 4.179 4.350 -0.001 0.000 0.191 120 E C 1.984 178.523 176.600 -0.101 0.000 0.985 120 E CA 1.099 57.449 56.400 -0.084 0.000 0.801 120 E CB -0.512 29.106 29.700 -0.137 0.000 0.750 120 E HN 0.042 nan 8.360 nan 0.000 0.452 121 A N 0.412 123.109 122.820 -0.204 0.000 1.940 121 A HA -0.144 4.175 4.320 -0.001 0.000 0.219 121 A C 1.276 178.833 177.584 -0.044 0.000 1.176 121 A CA 1.070 52.989 52.037 -0.198 0.000 0.631 121 A CB -0.437 18.376 19.000 -0.311 0.000 0.814 121 A HN 0.309 nan 8.150 nan 0.000 0.446 122 F N 1.123 121.105 119.950 0.053 0.000 2.798 122 F HA 0.185 4.711 4.527 -0.001 0.000 0.291 122 F C 1.009 176.822 175.800 0.021 0.000 1.174 122 F CA -1.114 56.909 58.000 0.039 0.000 1.392 122 F CB -0.190 38.828 39.000 0.029 0.000 0.966 122 F HN 0.182 nan 8.300 nan 0.000 0.509 123 K N 0.039 120.538 120.400 0.165 0.000 2.489 123 K HA 0.222 4.541 4.320 -0.001 0.000 0.278 123 K C 1.031 177.688 176.600 0.095 0.000 1.000 123 K CA 1.016 57.363 56.287 0.100 0.000 1.012 123 K CB 0.421 32.954 32.500 0.056 0.000 0.903 123 K HN 0.455 nan 8.250 nan 0.000 0.485 124 G N 2.644 111.485 108.800 0.068 0.000 2.176 124 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.253 124 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.253 124 G C 0.008 174.931 174.900 0.038 0.000 0.979 124 G CA 0.223 45.352 45.100 0.049 0.000 0.641 124 G HN 0.632 nan 8.290 nan 0.000 0.530 125 I N 0.400 120.997 120.570 0.046 0.000 2.339 125 I HA 0.404 4.574 4.170 -0.001 0.000 0.290 125 I C 1.019 177.127 176.117 -0.015 0.000 0.994 125 I CA -0.590 60.705 61.300 -0.008 0.000 1.191 125 I CB 1.674 39.636 38.000 -0.064 0.000 1.343 125 I HN 0.016 nan 8.210 nan 0.000 0.458 126 K N 3.666 124.049 120.400 -0.028 0.000 2.387 126 K HA 0.178 4.497 4.320 -0.001 0.000 0.197 126 K C 0.334 176.908 176.600 -0.043 0.000 1.127 126 K CA 0.132 56.406 56.287 -0.021 0.000 0.950 126 K CB 0.793 33.290 32.500 -0.005 0.000 1.017 126 K HN 0.515 nan 8.250 nan 0.000 0.519 127 Q N 1.277 121.040 119.800 -0.062 0.000 2.323 127 Q HA 0.392 4.732 4.340 -0.001 0.000 0.271 127 Q C -1.551 174.372 176.000 -0.127 0.000 1.048 127 Q CA -0.454 55.304 55.803 -0.075 0.000 0.792 127 Q CB 1.650 30.364 28.738 -0.040 0.000 1.280 127 Q HN 0.071 nan 8.270 nan 0.000 0.441 128 I N 2.935 123.406 120.570 -0.165 0.000 2.330 128 I HA 0.421 4.590 4.170 -0.001 0.000 0.289 128 I C 0.408 176.422 176.117 -0.172 0.000 1.001 128 I CA -0.771 60.392 61.300 -0.229 0.000 1.193 128 I CB 1.665 39.465 38.000 -0.333 0.000 1.345 128 I HN 0.702 nan 8.210 nan 0.000 0.461 129 G N 6.090 114.793 108.800 -0.160 0.000 2.329 129 G HA2 0.491 4.451 3.960 -0.001 0.000 0.309 129 G HA3 0.491 4.451 3.960 -0.001 0.000 0.309 129 G C -0.524 174.276 174.900 -0.166 0.000 1.110 129 G CA -0.272 44.750 45.100 -0.130 0.000 0.923 129 G HN 0.364 nan 8.290 nan 0.000 0.430 130 V N 4.933 124.746 119.914 -0.169 0.000 2.333 130 V HA 0.235 4.354 4.120 -0.001 0.000 0.274 130 V C -0.226 175.777 176.094 -0.153 0.000 1.028 130 V CA -0.802 61.391 62.300 -0.179 0.000 0.851 130 V CB 1.059 32.758 31.823 -0.208 0.000 1.000 130 V HN 0.519 nan 8.190 nan 0.000 0.456 131 I N 4.785 125.275 120.570 -0.135 0.000 2.307 131 I HA 0.739 4.909 4.170 -0.001 0.000 0.289 131 I C 0.721 176.769 176.117 -0.116 0.000 1.021 131 I CA 0.153 61.368 61.300 -0.142 0.000 1.224 131 I CB 0.341 38.255 38.000 -0.142 0.000 1.376 131 I HN 0.848 nan 8.210 nan 0.000 0.470 132 G N 6.149 114.880 108.800 -0.114 0.000 2.674 132 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.686 132 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.686 132 G C -0.534 174.377 174.900 0.019 0.000 1.195 132 G CA -0.428 44.633 45.100 -0.065 0.000 0.776 132 G HN 0.641 nan 8.290 nan 0.000 0.654 133 W N 1.730 122.913 121.300 -0.194 0.000 3.815 133 W HA 0.396 5.055 4.660 -0.001 0.000 0.264 133 W C 1.830 178.277 176.519 -0.120 0.000 2.249 133 W CA 1.879 59.117 57.345 -0.177 0.000 1.949 133 W CB -0.263 29.083 29.460 -0.190 0.000 1.666 133 W HN 2.000 nan 8.180 nan 0.000 0.483 134 G N 1.228 110.041 108.800 0.022 0.000 2.614 134 G HA2 -0.451 3.508 3.960 -0.001 0.000 0.303 134 G HA3 -0.451 3.508 3.960 -0.001 0.000 0.303 134 G C 0.861 175.630 174.900 -0.219 0.000 1.270 134 G CA 1.209 46.265 45.100 -0.073 0.000 0.988 134 G HN 0.510 nan 8.290 nan 0.000 0.551 135 S N -1.582 114.013 115.700 -0.175 0.000 2.355 135 S HA 0.022 4.491 4.470 -0.001 0.000 0.216 135 S C 2.243 176.711 174.600 -0.220 0.000 1.037 135 S CA 1.701 59.794 58.200 -0.179 0.000 0.955 135 S CB -0.234 62.893 63.200 -0.122 0.000 0.877 135 S HN 0.565 nan 8.310 nan 0.000 0.488 136 Q N 0.505 120.198 119.800 -0.178 0.000 2.212 136 Q HA 0.111 4.451 4.340 -0.001 0.000 0.199 136 Q C 2.238 178.112 176.000 -0.210 0.000 0.950 136 Q CA 1.050 56.766 55.803 -0.146 0.000 0.863 136 Q CB -0.999 27.702 28.738 -0.061 0.000 0.944 136 Q HN 0.626 nan 8.270 nan 0.000 0.465 137 G N 2.761 111.395 108.800 -0.278 0.000 2.553 137 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.218 137 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.218 137 G C -0.977 173.578 174.900 -0.575 0.000 1.195 137 G CA 0.972 45.859 45.100 -0.356 0.000 0.779 137 G HN 0.354 nan 8.290 nan 0.000 0.577 138 P HA -0.061 nan 4.420 nan 0.000 0.215 138 P C 2.083 179.119 177.300 -0.440 0.000 1.153 138 P CA 2.202 64.658 63.100 -1.073 0.000 0.853 138 P CB -0.259 30.661 31.700 -1.300 0.000 0.788 139 A N 0.197 122.821 122.820 -0.326 0.000 1.855 139 A HA -0.215 4.104 4.320 -0.001 0.000 0.215 139 A C 2.386 179.883 177.584 -0.144 0.000 1.191 139 A CA 1.540 53.474 52.037 -0.172 0.000 0.613 139 A CB -1.405 17.521 19.000 -0.123 0.000 0.829 139 A HN 0.168 nan 8.150 nan 0.000 0.442 140 Q N -0.651 119.072 119.800 -0.128 0.000 2.084 140 Q HA -0.113 4.227 4.340 -0.001 0.000 0.202 140 Q C 2.448 178.397 176.000 -0.085 0.000 0.978 140 Q CA 1.351 57.124 55.803 -0.051 0.000 0.844 140 Q CB -0.384 28.387 28.738 0.054 0.000 0.898 140 Q HN 0.671 nan 8.270 nan 0.000 0.426 141 A N 1.225 123.953 122.820 -0.154 0.000 1.902 141 A HA -0.238 4.081 4.320 -0.001 0.000 0.217 141 A C 2.006 179.647 177.584 0.095 0.000 1.181 141 A CA 1.435 53.398 52.037 -0.124 0.000 0.623 141 A CB -0.443 18.301 19.000 -0.428 0.000 0.818 141 A HN 0.340 nan 8.150 nan 0.000 0.443 142 Q N -0.502 119.357 119.800 0.098 0.000 2.079 142 Q HA -0.156 4.183 4.340 -0.001 0.000 0.200 142 Q C 1.879 177.830 176.000 -0.082 0.000 0.974 142 Q CA 1.412 57.297 55.803 0.137 0.000 0.840 142 Q CB -0.226 28.578 28.738 0.110 0.000 0.898 142 Q HN 0.629 nan 8.270 nan 0.000 0.430 143 N N 0.780 119.319 118.700 -0.269 0.000 2.084 143 N HA -0.115 4.624 4.740 -0.001 0.000 0.190 143 N C 1.813 177.088 175.510 -0.392 0.000 1.030 143 N CA 1.000 53.630 53.050 -0.699 0.000 0.849 143 N CB -0.334 37.706 38.487 -0.745 0.000 1.012 143 N HN 0.159 nan 8.380 nan 0.000 0.423 144 L N 0.631 121.757 121.223 -0.160 0.000 2.012 144 L HA -0.142 4.198 4.340 -0.001 0.000 0.210 144 L C 2.606 179.454 176.870 -0.037 0.000 1.073 144 L CA 1.155 55.956 54.840 -0.065 0.000 0.748 144 L CB -0.338 41.693 42.059 -0.046 0.000 0.891 144 L HN 0.187 nan 8.230 nan 0.000 0.431 145 R N 0.207 120.715 120.500 0.012 0.000 2.080 145 R HA -0.209 4.130 4.340 -0.001 0.000 0.236 145 R C 1.978 178.296 176.300 0.029 0.000 1.137 145 R CA 2.191 58.319 56.100 0.047 0.000 0.943 145 R CB -0.215 30.147 30.300 0.102 0.000 0.846 145 R HN 0.296 nan 8.270 nan 0.000 0.431 146 D N -0.227 120.195 120.400 0.036 0.000 2.104 146 D HA -0.109 4.531 4.640 -0.001 0.000 0.194 146 D C 2.038 178.421 176.300 0.139 0.000 0.994 146 D CA 1.634 55.710 54.000 0.128 0.000 0.830 146 D CB -0.285 40.673 40.800 0.263 0.000 0.959 146 D HN 0.182 nan 8.370 nan 0.000 0.452 147 S N 0.185 115.909 115.700 0.041 0.000 2.368 147 S HA -0.076 4.393 4.470 -0.001 0.000 0.225 147 S C 2.202 176.693 174.600 -0.182 0.000 1.030 147 S CA 0.546 58.587 58.200 -0.265 0.000 0.999 147 S CB -0.211 62.612 63.200 -0.629 0.000 0.844 147 S HN 0.239 nan 8.310 nan 0.000 0.459 148 L N 1.025 122.213 121.223 -0.058 0.000 2.093 148 L HA -0.097 4.242 4.340 -0.001 0.000 0.208 148 L C 2.758 179.653 176.870 0.041 0.000 1.085 148 L CA 1.053 55.903 54.840 0.016 0.000 0.755 148 L CB -0.671 41.408 42.059 0.035 0.000 0.904 148 L HN 0.314 nan 8.230 nan 0.000 0.435 149 A N 0.007 122.856 122.820 0.048 0.000 1.877 149 A HA -0.271 4.048 4.320 -0.001 0.000 0.216 149 A C 2.252 179.890 177.584 0.089 0.000 1.186 149 A CA 1.895 53.969 52.037 0.062 0.000 0.620 149 A CB -0.546 18.490 19.000 0.061 0.000 0.822 149 A HN 0.451 nan 8.150 nan 0.000 0.443 150 E N -0.237 120.042 120.200 0.130 0.000 2.160 150 E HA -0.115 4.234 4.350 -0.001 0.000 0.195 150 E C 1.778 178.488 176.600 0.183 0.000 0.991 150 E CA 0.998 57.515 56.400 0.194 0.000 0.810 150 E CB -0.220 29.696 29.700 0.359 0.000 0.742 150 E HN 0.551 nan 8.360 nan 0.000 0.466 151 A N 0.505 123.413 122.820 0.147 0.000 2.238 151 A HA 0.002 4.321 4.320 -0.001 0.000 0.208 151 A C 0.498 178.136 177.584 0.091 0.000 1.177 151 A CA 0.600 52.715 52.037 0.129 0.000 0.804 151 A CB -0.210 18.848 19.000 0.097 0.000 0.823 151 A HN 0.286 nan 8.150 nan 0.000 0.482 152 K N -0.146 120.301 120.400 0.079 0.000 3.069 152 K HA -0.147 4.173 4.320 -0.001 0.000 0.267 152 K C 0.174 176.807 176.600 0.055 0.000 1.082 152 K CA 0.693 57.015 56.287 0.060 0.000 0.782 152 K CB -2.215 30.317 32.500 0.053 0.000 1.230 152 K HN 0.467 nan 8.250 nan 0.000 0.488 153 S N 0.227 115.964 115.700 0.061 0.000 2.586 153 S HA 0.177 4.646 4.470 -0.001 0.000 0.274 153 S C 0.645 175.274 174.600 0.047 0.000 1.281 153 S CA -0.707 57.532 58.200 0.064 0.000 1.035 153 S CB 1.007 64.262 63.200 0.093 0.000 0.962 153 S HN 0.176 nan 8.310 nan 0.000 0.512 154 D N 2.663 123.088 120.400 0.041 0.000 2.339 154 D HA 0.241 4.880 4.640 -0.001 0.000 0.217 154 D C 0.246 176.557 176.300 0.019 0.000 1.050 154 D CA 0.135 54.151 54.000 0.028 0.000 0.856 154 D CB -0.069 40.746 40.800 0.025 0.000 0.922 154 D HN 0.554 nan 8.370 nan 0.000 0.518 155 I N 1.197 121.779 120.570 0.020 0.000 2.683 155 I HA -0.088 4.081 4.170 -0.001 0.000 0.286 155 I C 0.318 176.424 176.117 -0.017 0.000 1.175 155 I CA 0.059 61.352 61.300 -0.010 0.000 1.429 155 I CB 0.866 38.845 38.000 -0.034 0.000 1.371 155 I HN -0.333 nan 8.210 nan 0.000 0.569 156 V N 7.718 127.618 119.914 -0.024 0.000 2.407 156 V HA 0.198 4.318 4.120 -0.001 0.000 0.278 156 V C 0.149 176.231 176.094 -0.020 0.000 1.037 156 V CA -0.617 61.679 62.300 -0.007 0.000 0.900 156 V CB 1.537 33.362 31.823 0.003 0.000 0.983 156 V HN 0.368 nan 8.190 nan 0.000 0.459 157 V N 5.693 125.622 119.914 0.024 0.000 2.364 157 V HA 0.409 4.529 4.120 -0.001 0.000 0.272 157 V C 0.099 176.256 176.094 0.105 0.000 1.036 157 V CA -0.507 61.814 62.300 0.035 0.000 0.880 157 V CB 1.218 33.095 31.823 0.090 0.000 0.991 157 V HN 0.852 nan 8.190 nan 0.000 0.460 158 K N 5.579 125.991 120.400 0.019 0.000 2.413 158 K HA 0.587 4.907 4.320 -0.001 0.000 0.257 158 K C -0.958 175.610 176.600 -0.055 0.000 0.946 158 K CA -0.670 55.636 56.287 0.032 0.000 0.823 158 K CB 1.495 34.002 32.500 0.012 0.000 1.109 158 K HN 0.588 nan 8.250 nan 0.000 0.427 159 I N 2.909 123.433 120.570 -0.077 0.000 2.441 159 I HA 0.229 4.398 4.170 -0.001 0.000 0.287 159 I C 0.630 176.673 176.117 -0.123 0.000 1.049 159 I CA -0.271 60.935 61.300 -0.157 0.000 1.381 159 I CB 1.475 39.332 38.000 -0.237 0.000 1.409 159 I HN 0.721 nan 8.210 nan 0.000 0.523 160 G N 7.383 116.092 108.800 -0.152 0.000 2.478 160 G HA2 0.686 4.646 3.960 -0.001 0.000 0.317 160 G HA3 0.686 4.646 3.960 -0.001 0.000 0.317 160 G C -0.964 173.791 174.900 -0.241 0.000 1.259 160 G CA -0.439 44.556 45.100 -0.175 0.000 0.933 160 G HN 0.414 nan 8.290 nan 0.000 0.478 161 L N 1.826 122.883 121.223 -0.277 0.000 2.362 161 L HA 0.552 4.891 4.340 -0.001 0.000 0.271 161 L C 0.600 177.325 176.870 -0.242 0.000 1.002 161 L CA -1.090 53.529 54.840 -0.367 0.000 0.818 161 L CB 2.575 44.146 42.059 -0.813 0.000 1.298 161 L HN 0.451 nan 8.230 nan 0.000 0.420 162 R N 0.851 121.217 120.500 -0.223 0.000 2.694 162 R HA 0.031 4.371 4.340 -0.001 0.000 0.268 162 R C 1.037 177.376 176.300 0.064 0.000 1.061 162 R CA -0.059 55.962 56.100 -0.131 0.000 1.133 162 R CB 0.688 30.922 30.300 -0.111 0.000 1.020 162 R HN 0.490 nan 8.270 nan 0.000 0.475 163 K N 1.221 121.678 120.400 0.095 0.000 2.103 163 K HA -0.139 4.180 4.320 -0.001 0.000 0.207 163 K C 1.612 178.307 176.600 0.159 0.000 1.048 163 K CA 1.803 58.177 56.287 0.145 0.000 0.930 163 K CB -0.175 32.376 32.500 0.086 0.000 0.716 163 K HN 0.813 nan 8.250 nan 0.000 0.444 164 G N 0.145 109.009 108.800 0.106 0.000 2.920 164 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.208 164 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.208 164 G C 0.213 175.175 174.900 0.103 0.000 1.159 164 G CA -0.122 45.029 45.100 0.086 0.000 0.784 164 G HN 0.235 nan 8.290 nan 0.000 0.535 165 S N 0.122 115.904 115.700 0.135 0.000 2.549 165 S HA 0.223 4.692 4.470 -0.001 0.000 0.286 165 S C 1.004 175.671 174.600 0.113 0.000 1.314 165 S CA -0.233 57.987 58.200 0.034 0.000 1.062 165 S CB 0.639 63.708 63.200 -0.219 0.000 0.865 165 S HN 0.098 nan 8.310 nan 0.000 0.498 166 K N 3.205 123.626 120.400 0.035 0.000 2.493 166 K HA 0.248 4.567 4.320 -0.001 0.000 0.207 166 K C 0.470 177.059 176.600 -0.019 0.000 1.033 166 K CA 0.065 56.382 56.287 0.049 0.000 1.161 166 K CB 0.279 32.802 32.500 0.038 0.000 0.873 166 K HN 0.480 nan 8.250 nan 0.000 0.491 167 S N -0.233 115.376 115.700 -0.153 0.000 2.578 167 S HA 0.179 4.648 4.470 -0.001 0.000 0.231 167 S C 1.145 175.413 174.600 -0.554 0.000 0.994 167 S CA -0.436 57.533 58.200 -0.385 0.000 0.956 167 S CB -0.111 62.789 63.200 -0.499 0.000 0.870 167 S HN 0.181 nan 8.310 nan 0.000 0.494 168 F N 2.678 122.456 119.950 -0.286 0.000 2.095 168 F HA -0.150 4.376 4.527 -0.001 0.000 0.298 168 F C 2.230 177.878 175.800 -0.252 0.000 1.104 168 F CA 1.259 59.102 58.000 -0.260 0.000 1.232 168 F CB -0.298 38.608 39.000 -0.156 0.000 0.987 168 F HN 0.159 nan 8.300 nan 0.000 0.475 169 D N -0.041 120.357 120.400 -0.003 0.000 2.144 169 D HA -0.132 4.507 4.640 -0.001 0.000 0.200 169 D C 2.111 178.353 176.300 -0.098 0.000 0.978 169 D CA 1.126 55.106 54.000 -0.033 0.000 0.833 169 D CB -0.374 40.421 40.800 -0.008 0.000 0.961 169 D HN 0.391 nan 8.370 nan 0.000 0.470 170 E N 0.653 120.740 120.200 -0.188 0.000 2.051 170 E HA -0.120 4.230 4.350 -0.001 0.000 0.192 170 E C 2.128 178.534 176.600 -0.322 0.000 0.991 170 E CA 0.980 57.269 56.400 -0.186 0.000 0.799 170 E CB -0.031 29.579 29.700 -0.151 0.000 0.748 170 E HN 0.171 nan 8.360 nan 0.000 0.449 171 A N 1.544 123.888 122.820 -0.793 0.000 1.883 171 A HA -0.234 4.085 4.320 -0.001 0.000 0.217 171 A C 2.067 179.601 177.584 -0.083 0.000 1.186 171 A CA 1.550 53.137 52.037 -0.751 0.000 0.624 171 A CB -0.473 17.998 19.000 -0.881 0.000 0.822 171 A HN 0.094 nan 8.150 nan 0.000 0.444 172 R N -0.611 119.840 120.500 -0.081 0.000 2.096 172 R HA -0.078 4.262 4.340 -0.001 0.000 0.235 172 R C 2.413 178.721 176.300 0.014 0.000 1.127 172 R CA 1.162 57.265 56.100 0.005 0.000 0.968 172 R CB -0.502 29.802 30.300 0.005 0.000 0.861 172 R HN 0.514 nan 8.270 nan 0.000 0.440 173 A N 1.150 123.977 122.820 0.012 0.000 2.019 173 A HA -0.057 4.263 4.320 -0.001 0.000 0.219 173 A C 2.096 179.719 177.584 0.066 0.000 1.164 173 A CA 1.607 53.666 52.037 0.036 0.000 0.644 173 A CB -0.304 18.722 19.000 0.044 0.000 0.805 173 A HN 0.382 nan 8.150 nan 0.000 0.449 174 A N -1.998 120.899 122.820 0.129 0.000 2.307 174 A HA 0.444 4.764 4.320 -0.001 0.000 0.218 174 A C 1.630 179.173 177.584 -0.068 0.000 1.228 174 A CA 1.051 53.191 52.037 0.173 0.000 0.857 174 A CB -0.793 18.505 19.000 0.498 0.000 0.897 174 A HN 1.812 nan 8.150 nan 0.000 0.495 175 G N -1.725 107.011 108.800 -0.107 0.000 2.157 175 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.239 175 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.239 175 G C -0.143 174.532 174.900 -0.375 0.000 0.982 175 G CA 0.013 44.962 45.100 -0.251 0.000 0.650 175 G HN 0.356 nan 8.290 nan 0.000 0.527 176 F N 2.522 122.485 119.950 0.021 0.000 2.375 176 F HA 0.597 5.123 4.527 -0.001 0.000 0.362 176 F C 0.952 176.741 175.800 -0.017 0.000 1.129 176 F CA 0.222 58.227 58.000 0.008 0.000 1.154 176 F CB 1.424 40.437 39.000 0.023 0.000 1.205 176 F HN 0.249 nan 8.300 nan 0.000 0.513 177 T N -1.226 113.395 114.554 0.112 0.000 2.896 177 T HA 0.401 4.750 4.350 -0.001 0.000 0.297 177 T C 0.639 175.377 174.700 0.064 0.000 1.108 177 T CA -0.806 61.335 62.100 0.069 0.000 1.004 177 T CB 1.904 70.787 68.868 0.025 0.000 1.159 177 T HN 0.332 nan 8.240 nan 0.000 0.499 178 E N 0.648 120.880 120.200 0.054 0.000 2.077 178 E HA -0.073 4.277 4.350 -0.001 0.000 0.193 178 E C 1.752 178.369 176.600 0.028 0.000 0.989 178 E CA 1.315 57.740 56.400 0.043 0.000 0.800 178 E CB -0.191 29.528 29.700 0.030 0.000 0.746 178 E HN 0.771 nan 8.360 nan 0.000 0.452 179 E N -0.017 120.194 120.200 0.018 0.000 2.118 179 E HA -0.145 4.205 4.350 -0.001 0.000 0.195 179 E C 1.804 178.410 176.600 0.010 0.000 0.992 179 E CA 1.553 57.959 56.400 0.010 0.000 0.804 179 E CB -0.233 29.470 29.700 0.004 0.000 0.741 179 E HN 0.289 nan 8.360 nan 0.000 0.458 180 S N -1.587 114.120 115.700 0.012 0.000 2.556 180 S HA 0.294 4.763 4.470 -0.001 0.000 0.216 180 S C 1.526 176.138 174.600 0.021 0.000 0.970 180 S CA 0.191 58.395 58.200 0.008 0.000 0.912 180 S CB 0.390 63.586 63.200 -0.007 0.000 0.790 180 S HN 0.331 nan 8.310 nan 0.000 0.504 181 G N 1.630 110.449 108.800 0.031 0.000 2.153 181 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.252 181 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.252 181 G C 0.567 175.500 174.900 0.056 0.000 0.994 181 G CA 0.678 45.800 45.100 0.037 0.000 0.698 181 G HN 1.160 nan 8.290 nan 0.000 0.521 182 T N -2.960 111.644 114.554 0.083 0.000 3.085 182 T HA 0.636 4.985 4.350 -0.001 0.000 0.264 182 T C 0.147 174.963 174.700 0.193 0.000 1.019 182 T CA 0.536 62.729 62.100 0.155 0.000 0.910 182 T CB 0.796 69.780 68.868 0.194 0.000 1.059 182 T HN 1.242 nan 8.240 nan 0.000 0.542 183 L N 0.324 121.619 121.223 0.119 0.000 2.472 183 L HA 0.859 5.199 4.340 -0.001 0.000 0.260 183 L C -0.596 176.319 176.870 0.074 0.000 0.963 183 L CA -0.216 54.676 54.840 0.087 0.000 0.829 183 L CB 1.814 43.937 42.059 0.106 0.000 1.348 183 L HN 0.276 nan 8.230 nan 0.000 0.408 184 G N 1.919 110.753 108.800 0.057 0.000 2.606 184 G HA2 0.342 4.302 3.960 -0.001 0.000 0.300 184 G HA3 0.342 4.302 3.960 -0.001 0.000 0.300 184 G C -1.865 173.079 174.900 0.073 0.000 1.360 184 G CA -0.566 44.578 45.100 0.074 0.000 0.783 184 G HN 0.752 nan 8.290 nan 0.000 0.484 185 D N -0.620 119.822 120.400 0.071 0.000 2.399 185 D HA 0.119 4.759 4.640 -0.001 0.000 0.241 185 D C 1.819 178.046 176.300 -0.121 0.000 1.133 185 D CA -0.052 53.962 54.000 0.023 0.000 0.890 185 D CB 0.980 41.811 40.800 0.052 0.000 1.201 185 D HN 0.366 nan 8.370 nan 0.000 0.432 186 I N 2.835 123.213 120.570 -0.321 0.000 2.145 186 I HA -0.290 3.880 4.170 -0.001 0.000 0.244 186 I C 1.066 176.877 176.117 -0.511 0.000 1.075 186 I CA 1.543 62.501 61.300 -0.570 0.000 1.332 186 I CB -0.008 37.393 38.000 -0.998 0.000 1.033 186 I HN 0.651 nan 8.210 nan 0.000 0.410 187 W N 1.139 122.371 121.300 -0.112 0.000 2.407 187 W HA -0.184 4.475 4.660 -0.001 0.000 0.305 187 W C 2.623 179.126 176.519 -0.027 0.000 1.196 187 W CA 0.920 58.136 57.345 -0.214 0.000 1.311 187 W CB -0.530 28.710 29.460 -0.366 0.000 1.135 187 W HN 0.286 nan 8.180 nan 0.000 0.514 188 E N -0.027 120.290 120.200 0.195 0.000 2.150 188 E HA -0.154 4.196 4.350 -0.001 0.000 0.193 188 E C 1.652 178.308 176.600 0.092 0.000 0.985 188 E CA 2.055 58.546 56.400 0.153 0.000 0.814 188 E CB -1.105 28.665 29.700 0.115 0.000 0.752 188 E HN 0.007 nan 8.360 nan 0.000 0.466 189 T N 0.375 114.948 114.554 0.031 0.000 2.737 189 T HA -0.089 4.260 4.350 -0.001 0.000 0.265 189 T C 1.937 176.646 174.700 0.016 0.000 1.038 189 T CA 1.375 63.474 62.100 -0.001 0.000 1.144 189 T CB -0.361 68.472 68.868 -0.058 0.000 0.866 189 T HN 0.056 nan 8.240 nan 0.000 0.434 190 V N 1.378 121.310 119.914 0.031 0.000 2.287 190 V HA -0.195 3.924 4.120 -0.001 0.000 0.248 190 V C 2.725 178.901 176.094 0.137 0.000 1.053 190 V CA 2.019 64.373 62.300 0.090 0.000 1.027 190 V CB -0.904 31.019 31.823 0.167 0.000 0.646 190 V HN 0.493 nan 8.190 nan 0.000 0.447 191 S N 0.350 116.163 115.700 0.189 0.000 2.374 191 S HA -0.174 4.296 4.470 -0.001 0.000 0.227 191 S C 1.868 176.526 174.600 0.098 0.000 1.037 191 S CA 1.804 60.107 58.200 0.171 0.000 1.024 191 S CB -0.545 62.771 63.200 0.193 0.000 0.861 191 S HN 0.694 nan 8.310 nan 0.000 0.456 192 G N -0.050 108.793 108.800 0.072 0.000 2.985 192 G HA2 0.228 4.187 3.960 -0.001 0.000 0.209 192 G HA3 0.228 4.187 3.960 -0.001 0.000 0.209 192 G C 0.203 175.115 174.900 0.020 0.000 1.165 192 G CA -0.072 45.053 45.100 0.042 0.000 0.776 192 G HN 0.475 nan 8.290 nan 0.000 0.541 193 S N 0.655 116.366 115.700 0.018 0.000 2.541 193 S HA 0.285 4.754 4.470 -0.001 0.000 0.283 193 S C 0.248 174.838 174.600 -0.017 0.000 1.196 193 S CA -0.649 57.541 58.200 -0.017 0.000 1.062 193 S CB 1.802 64.980 63.200 -0.036 0.000 1.009 193 S HN 0.204 nan 8.310 nan 0.000 0.502 194 D N 0.641 121.015 120.400 -0.044 0.000 2.301 194 D HA 0.091 4.730 4.640 -0.001 0.000 0.206 194 D C -0.006 176.256 176.300 -0.064 0.000 0.979 194 D CA 0.479 54.456 54.000 -0.039 0.000 0.874 194 D CB 0.227 41.005 40.800 -0.037 0.000 0.968 194 D HN 0.220 nan 8.370 nan 0.000 0.510 195 L N 1.214 122.363 121.223 -0.123 0.000 2.406 195 L HA 0.337 4.677 4.340 -0.001 0.000 0.272 195 L C -1.319 175.437 176.870 -0.191 0.000 0.980 195 L CA -0.791 53.944 54.840 -0.175 0.000 0.831 195 L CB 2.211 44.095 42.059 -0.291 0.000 1.253 195 L HN -0.365 nan 8.230 nan 0.000 0.406 196 V N 6.627 126.455 119.914 -0.143 0.000 2.328 196 V HA 0.402 4.521 4.120 -0.001 0.000 0.278 196 V C -0.016 175.976 176.094 -0.171 0.000 1.021 196 V CA -0.454 61.776 62.300 -0.116 0.000 0.838 196 V CB 1.365 33.185 31.823 -0.005 0.000 0.999 196 V HN 0.587 nan 8.190 nan 0.000 0.447 197 L N 6.119 127.199 121.223 -0.239 0.000 2.259 197 L HA 0.420 4.760 4.340 -0.001 0.000 0.288 197 L C -0.348 176.469 176.870 -0.088 0.000 1.051 197 L CA -0.550 54.139 54.840 -0.252 0.000 0.824 197 L CB 1.112 42.931 42.059 -0.401 0.000 1.206 197 L HN 0.448 nan 8.230 nan 0.000 0.429 198 L N 5.767 126.994 121.223 0.006 0.000 2.282 198 L HA 0.263 4.602 4.340 -0.001 0.000 0.287 198 L C 0.199 177.107 176.870 0.062 0.000 1.075 198 L CA 0.542 55.408 54.840 0.043 0.000 0.839 198 L CB 0.362 42.489 42.059 0.112 0.000 1.219 198 L HN 0.573 nan 8.230 nan 0.000 0.434 199 L N 6.147 127.378 121.223 0.014 0.000 3.014 199 L HA 0.286 4.625 4.340 -0.001 0.000 0.263 199 L C 0.596 177.459 176.870 -0.011 0.000 1.207 199 L CA -0.244 54.606 54.840 0.016 0.000 1.017 199 L CB -0.129 41.922 42.059 -0.013 0.000 1.360 199 L HN 0.574 nan 8.230 nan 0.000 0.560 200 I N -2.700 117.863 120.570 -0.013 0.000 3.079 200 I HA 0.340 4.509 4.170 -0.001 0.000 0.295 200 I C 1.042 177.147 176.117 -0.020 0.000 1.094 200 I CA -0.498 60.787 61.300 -0.026 0.000 1.295 200 I CB 0.824 38.801 38.000 -0.039 0.000 1.443 200 I HN 0.108 nan 8.210 nan 0.000 0.607 201 S N 1.711 117.388 115.700 -0.037 0.000 2.569 201 S HA -0.015 4.455 4.470 -0.001 0.000 0.274 201 S C 0.640 175.172 174.600 -0.114 0.000 1.353 201 S CA -0.020 58.137 58.200 -0.072 0.000 1.023 201 S CB 0.768 63.933 63.200 -0.059 0.000 0.876 201 S HN 0.748 nan 8.310 nan 0.000 0.540 202 D N 2.110 122.351 120.400 -0.264 0.000 2.116 202 D HA -0.136 4.503 4.640 -0.001 0.000 0.193 202 D C 2.255 178.325 176.300 -0.383 0.000 0.998 202 D CA 2.088 55.730 54.000 -0.597 0.000 0.836 202 D CB -1.012 38.962 40.800 -1.377 0.000 0.951 202 D HN 0.748 nan 8.370 nan 0.000 0.449 203 A N 0.915 123.583 122.820 -0.254 0.000 1.902 203 A HA -0.046 4.274 4.320 -0.001 0.000 0.217 203 A C 2.325 179.897 177.584 -0.019 0.000 1.181 203 A CA 2.387 54.369 52.037 -0.092 0.000 0.623 203 A CB -0.748 18.235 19.000 -0.029 0.000 0.818 203 A HN 0.252 nan 8.150 nan 0.000 0.443 204 A N -0.701 122.110 122.820 -0.014 0.000 1.933 204 A HA -0.194 4.125 4.320 -0.001 0.000 0.218 204 A C 2.114 179.724 177.584 0.044 0.000 1.175 204 A CA 1.570 53.616 52.037 0.015 0.000 0.628 204 A CB -0.546 18.456 19.000 0.003 0.000 0.814 204 A HN 0.667 nan 8.150 nan 0.000 0.444 205 Q N -0.580 119.253 119.800 0.056 0.000 2.050 205 Q HA -0.143 4.197 4.340 -0.001 0.000 0.202 205 Q C 2.424 178.535 176.000 0.185 0.000 0.980 205 Q CA 1.450 57.331 55.803 0.130 0.000 0.840 205 Q CB -0.414 28.431 28.738 0.179 0.000 0.898 205 Q HN 0.680 nan 8.270 nan 0.000 0.424 206 A N 1.343 124.242 122.820 0.132 0.000 1.972 206 A HA -0.203 4.116 4.320 -0.001 0.000 0.219 206 A C 1.556 179.228 177.584 0.146 0.000 1.169 206 A CA 1.698 53.751 52.037 0.026 0.000 0.635 206 A CB -0.233 18.622 19.000 -0.241 0.000 0.810 206 A HN 0.232 nan 8.150 nan 0.000 0.446 207 D N -0.872 119.570 120.400 0.070 0.000 2.249 207 D HA -0.015 4.624 4.640 -0.001 0.000 0.205 207 D C 0.838 177.120 176.300 -0.031 0.000 0.962 207 D CA 0.950 54.961 54.000 0.019 0.000 0.860 207 D CB -0.170 40.638 40.800 0.014 0.000 0.955 207 D HN 0.546 nan 8.370 nan 0.000 0.505 208 N N -0.797 117.910 118.700 0.012 0.000 2.184 208 N HA 0.021 4.760 4.740 -0.001 0.000 0.206 208 N C 1.242 176.697 175.510 -0.092 0.000 1.151 208 N CA -0.214 52.845 53.050 0.015 0.000 0.878 208 N CB 0.223 38.809 38.487 0.165 0.000 1.014 208 N HN 0.233 nan 8.380 nan 0.000 0.512 209 Y N 0.701 120.890 120.300 -0.185 0.000 2.181 209 Y HA -0.002 4.548 4.550 -0.001 0.000 0.288 209 Y C 1.620 177.045 175.900 -0.792 0.000 1.146 209 Y CA 1.075 58.846 58.100 -0.548 0.000 1.164 209 Y CB -0.597 37.496 38.460 -0.612 0.000 0.982 209 Y HN -0.013 nan 8.280 nan 0.000 0.515 210 E N 0.892 120.509 120.200 -0.971 0.000 2.058 210 E HA -0.227 4.123 4.350 -0.001 0.000 0.194 210 E C 2.125 178.602 176.600 -0.205 0.000 0.997 210 E CA 1.687 57.794 56.400 -0.489 0.000 0.801 210 E CB -0.189 29.238 29.700 -0.454 0.000 0.746 210 E HN 0.540 nan 8.360 nan 0.000 0.450 211 K N 0.676 120.944 120.400 -0.220 0.000 2.097 211 K HA -0.114 4.205 4.320 -0.001 0.000 0.205 211 K C 2.015 178.673 176.600 0.097 0.000 1.050 211 K CA 0.823 57.012 56.287 -0.163 0.000 0.938 211 K CB 0.012 32.227 32.500 -0.475 0.000 0.718 211 K HN 0.050 nan 8.250 nan 0.000 0.442 212 I N 0.392 121.075 120.570 0.189 0.000 2.142 212 I HA -0.271 3.898 4.170 -0.001 0.000 0.240 212 I C 1.756 178.125 176.117 0.420 0.000 1.078 212 I CA 1.025 62.550 61.300 0.374 0.000 1.343 212 I CB -0.273 37.869 38.000 0.237 0.000 1.046 212 I HN 0.089 nan 8.210 nan 0.000 0.405 213 F N 1.177 121.281 119.950 0.256 0.000 2.161 213 F HA -0.231 4.296 4.527 -0.001 0.000 0.300 213 F C 3.007 178.901 175.800 0.156 0.000 1.089 213 F CA 1.365 59.492 58.000 0.213 0.000 1.282 213 F CB -1.748 37.377 39.000 0.209 0.000 1.010 213 F HN 0.200 nan 8.300 nan 0.000 0.485 214 S N -0.946 114.937 115.700 0.306 0.000 2.423 214 S HA -0.201 4.268 4.470 -0.001 0.000 0.231 214 S C 1.593 176.214 174.600 0.035 0.000 1.014 214 S CA 1.365 59.637 58.200 0.121 0.000 0.965 214 S CB -0.857 62.347 63.200 0.006 0.000 0.785 214 S HN 0.467 nan 8.310 nan 0.000 0.495 215 H N 0.262 119.409 119.070 0.128 0.000 2.544 215 H HA 0.434 4.990 4.556 -0.001 0.000 0.269 215 H C 0.576 175.994 175.328 0.150 0.000 0.970 215 H CA 0.257 56.392 56.048 0.144 0.000 1.219 215 H CB -0.096 29.812 29.762 0.242 0.000 1.421 215 H HN 0.373 nan 8.280 nan 0.000 0.555 216 M N 1.227 120.984 119.600 0.262 0.000 2.233 216 M HA 0.088 4.568 4.480 -0.001 0.000 0.350 216 M C 0.113 176.485 176.300 0.121 0.000 1.176 216 M CA 0.051 55.467 55.300 0.194 0.000 1.150 216 M CB 0.882 33.608 32.600 0.210 0.000 1.530 216 M HN 0.042 nan 8.290 nan 0.000 0.459 217 K N 3.028 123.482 120.400 0.091 0.000 2.451 217 K HA 0.137 4.457 4.320 -0.001 0.000 0.280 217 K C -2.382 174.248 176.600 0.050 0.000 1.020 217 K CA -1.289 55.033 56.287 0.059 0.000 1.008 217 K CB -0.395 32.132 32.500 0.045 0.000 0.917 217 K HN 0.266 nan 8.250 nan 0.000 0.478 218 P HA -0.070 nan 4.420 nan 0.000 0.265 218 P C -0.622 176.693 177.300 0.025 0.000 1.187 218 P CA 0.476 63.593 63.100 0.029 0.000 0.766 218 P CB 0.304 32.017 31.700 0.022 0.000 0.820 219 N N -1.868 116.845 118.700 0.021 0.000 2.909 219 N HA -0.182 4.557 4.740 -0.001 0.000 0.242 219 N C 0.075 175.598 175.510 0.022 0.000 0.975 219 N CA 0.869 53.931 53.050 0.019 0.000 0.921 219 N CB -1.371 37.128 38.487 0.019 0.000 1.112 219 N HN 0.592 nan 8.380 nan 0.000 0.581 220 S N 0.194 115.909 115.700 0.026 0.000 2.640 220 S HA 0.650 5.119 4.470 -0.001 0.000 0.262 220 S C 0.171 174.783 174.600 0.019 0.000 1.232 220 S CA -0.567 57.647 58.200 0.023 0.000 0.988 220 S CB 1.305 64.522 63.200 0.029 0.000 1.034 220 S HN 0.241 nan 8.310 nan 0.000 0.569 221 I N 0.870 121.445 120.570 0.009 0.000 2.436 221 I HA 0.381 4.550 4.170 -0.001 0.000 0.289 221 I C -1.159 174.954 176.117 -0.007 0.000 1.010 221 I CA -0.845 60.458 61.300 0.004 0.000 1.098 221 I CB 1.769 39.775 38.000 0.010 0.000 1.266 221 I HN 0.471 nan 8.210 nan 0.000 0.434 222 L N 6.031 127.257 121.223 0.005 0.000 2.282 222 L HA 0.785 5.124 4.340 -0.001 0.000 0.288 222 L C 0.069 176.950 176.870 0.018 0.000 1.033 222 L CA 0.194 55.050 54.840 0.026 0.000 0.807 222 L CB 1.275 43.384 42.059 0.084 0.000 1.209 222 L HN 0.641 nan 8.230 nan 0.000 0.423 223 G N 6.068 114.864 108.800 -0.006 0.000 2.415 223 G HA2 0.632 4.592 3.960 -0.001 0.000 0.327 223 G HA3 0.632 4.592 3.960 -0.001 0.000 0.327 223 G C -1.340 173.700 174.900 0.233 0.000 1.182 223 G CA -0.586 44.580 45.100 0.110 0.000 0.924 223 G HN 0.614 nan 8.290 nan 0.000 0.470 224 L N 1.282 122.737 121.223 0.387 0.000 2.333 224 L HA 0.433 4.773 4.340 -0.001 0.000 0.269 224 L C 1.186 178.290 176.870 0.389 0.000 1.010 224 L CA -0.932 54.109 54.840 0.334 0.000 0.818 224 L CB 2.462 44.654 42.059 0.222 0.000 1.306 224 L HN 0.656 nan 8.230 nan 0.000 0.430 225 S N -1.012 114.875 115.700 0.312 0.000 2.556 225 S HA 0.153 4.622 4.470 -0.001 0.000 0.216 225 S C -0.061 174.672 174.600 0.222 0.000 0.970 225 S CA -0.031 58.294 58.200 0.208 0.000 0.912 225 S CB -0.219 63.094 63.200 0.188 0.000 0.790 225 S HN 0.808 nan 8.310 nan 0.000 0.504 226 H N -1.343 117.805 119.070 0.130 0.000 3.060 226 H HA 0.494 5.049 4.556 -0.001 0.000 0.330 226 H C 0.388 175.831 175.328 0.191 0.000 1.305 226 H CA 0.018 56.150 56.048 0.139 0.000 1.209 226 H CB 0.834 30.669 29.762 0.122 0.000 1.913 226 H HN -0.033 nan 8.280 nan 0.000 0.534 227 G N 2.012 110.530 108.800 -0.469 0.000 3.233 227 G HA2 -0.069 3.891 3.960 -0.001 0.000 0.227 227 G HA3 -0.069 3.891 3.960 -0.001 0.000 0.227 227 G C 1.021 175.730 174.900 -0.319 0.000 1.175 227 G CA 0.186 45.167 45.100 -0.198 0.000 0.781 227 G HN 0.541 nan 8.290 nan 0.000 0.542 228 F N 0.914 120.441 119.950 -0.705 0.000 2.085 228 F HA -0.244 4.282 4.527 -0.001 0.000 0.299 228 F C 2.233 177.881 175.800 -0.253 0.000 1.096 228 F CA 1.677 59.469 58.000 -0.347 0.000 1.227 228 F CB 0.022 39.006 39.000 -0.027 0.000 0.983 228 F HN 0.198 nan 8.300 nan 0.000 0.482 229 L N 0.056 121.293 121.223 0.024 0.000 2.083 229 L HA -0.165 4.175 4.340 -0.001 0.000 0.209 229 L C 2.171 178.900 176.870 -0.234 0.000 1.083 229 L CA 1.626 56.447 54.840 -0.033 0.000 0.752 229 L CB -1.171 41.008 42.059 0.200 0.000 0.899 229 L HN 0.373 nan 8.230 nan 0.000 0.433 230 L N -0.227 120.928 121.223 -0.113 0.000 2.012 230 L HA -0.045 4.295 4.340 -0.001 0.000 0.210 230 L C 2.350 178.963 176.870 -0.427 0.000 1.073 230 L CA 2.190 56.946 54.840 -0.140 0.000 0.748 230 L CB -1.504 40.574 42.059 0.031 0.000 0.891 230 L HN 0.296 nan 8.230 nan 0.000 0.431 231 G N -2.043 106.205 108.800 -0.920 0.000 2.422 231 G HA2 -0.375 3.585 3.960 -0.001 0.000 0.218 231 G HA3 -0.375 3.585 3.960 -0.001 0.000 0.218 231 G C 1.538 176.021 174.900 -0.694 0.000 1.146 231 G CA 1.046 45.417 45.100 -1.214 0.000 0.769 231 G HN 0.631 nan 8.290 nan 0.000 0.547 232 H N 0.724 119.295 119.070 -0.831 0.000 2.293 232 H HA 0.055 4.610 4.556 -0.001 0.000 0.300 232 H C 2.553 177.607 175.328 -0.457 0.000 1.082 232 H CA 1.611 57.271 56.048 -0.646 0.000 1.308 232 H CB -0.441 28.913 29.762 -0.680 0.000 1.375 232 H HN 0.247 nan 8.280 nan 0.000 0.495 233 L N 0.098 120.931 121.223 -0.650 0.000 2.013 233 L HA -0.259 4.081 4.340 -0.001 0.000 0.212 233 L C 2.732 179.359 176.870 -0.404 0.000 1.073 233 L CA 1.844 56.317 54.840 -0.612 0.000 0.753 233 L CB -0.632 41.065 42.059 -0.603 0.000 0.890 233 L HN 0.454 nan 8.230 nan 0.000 0.432 234 Q N -0.251 119.364 119.800 -0.309 0.000 2.096 234 Q HA -0.215 4.124 4.340 -0.001 0.000 0.204 234 Q C 2.444 178.340 176.000 -0.173 0.000 0.982 234 Q CA 1.980 57.679 55.803 -0.173 0.000 0.850 234 Q CB -0.249 28.444 28.738 -0.075 0.000 0.901 234 Q HN 0.652 nan 8.270 nan 0.000 0.422 235 S N 0.173 115.732 115.700 -0.235 0.000 2.419 235 S HA -0.080 4.389 4.470 -0.001 0.000 0.233 235 S C 1.806 176.297 174.600 -0.182 0.000 1.016 235 S CA 0.969 59.058 58.200 -0.185 0.000 0.974 235 S CB -0.060 63.025 63.200 -0.192 0.000 0.786 235 S HN 0.357 nan 8.310 nan 0.000 0.492 236 A N 0.267 122.930 122.820 -0.261 0.000 2.308 236 A HA 0.624 4.943 4.320 -0.001 0.000 0.217 236 A C 1.541 179.041 177.584 -0.140 0.000 1.216 236 A CA 0.316 52.228 52.037 -0.208 0.000 0.864 236 A CB -0.925 17.900 19.000 -0.291 0.000 0.902 236 A HN 1.540 nan 8.150 nan 0.000 0.499 237 G N -0.583 108.140 108.800 -0.127 0.000 2.198 237 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.257 237 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.257 237 G C -0.044 174.811 174.900 -0.076 0.000 1.042 237 G CA 0.714 45.767 45.100 -0.080 0.000 0.791 237 G HN 0.495 nan 8.290 nan 0.000 0.502 238 L N -1.217 119.934 121.223 -0.119 0.000 2.271 238 L HA 0.898 5.237 4.340 -0.001 0.000 0.265 238 L C 0.028 176.828 176.870 -0.115 0.000 1.013 238 L CA -1.196 53.582 54.840 -0.104 0.000 0.820 238 L CB 1.805 43.786 42.059 -0.129 0.000 1.352 238 L HN 0.112 nan 8.230 nan 0.000 0.443 239 D N -1.144 119.207 120.400 -0.082 0.000 2.744 239 D HA 0.422 5.062 4.640 -0.001 0.000 0.304 239 D C -1.072 175.163 176.300 -0.109 0.000 1.179 239 D CA -0.448 53.522 54.000 -0.050 0.000 1.024 239 D CB 1.767 42.625 40.800 0.097 0.000 1.453 239 D HN 0.044 nan 8.370 nan 0.000 0.529 240 F N 0.571 120.523 119.950 0.003 0.000 2.485 240 F HA 0.275 4.801 4.527 -0.001 0.000 0.327 240 F C -1.299 174.365 175.800 -0.227 0.000 1.203 240 F CA -0.751 57.140 58.000 -0.181 0.000 1.295 240 F CB -0.133 38.800 39.000 -0.113 0.000 1.191 240 F HN 0.044 nan 8.300 nan 0.000 0.588 241 P HA 0.035 nan 4.420 nan 0.000 0.269 241 P C 0.098 177.370 177.300 -0.046 0.000 1.215 241 P CA -0.219 62.803 63.100 -0.130 0.000 0.780 241 P CB 0.578 32.158 31.700 -0.200 0.000 0.898 242 K N 1.904 122.293 120.400 -0.018 0.000 2.439 242 K HA -0.054 4.265 4.320 -0.001 0.000 0.197 242 K C 0.925 177.517 176.600 -0.014 0.000 1.041 242 K CA 0.940 57.221 56.287 -0.010 0.000 0.970 242 K CB -0.459 32.040 32.500 -0.003 0.000 0.773 242 K HN 0.534 nan 8.250 nan 0.000 0.479 243 N N 0.926 119.616 118.700 -0.016 0.000 2.268 243 N HA 0.009 4.748 4.740 -0.001 0.000 0.204 243 N C 0.444 175.951 175.510 -0.005 0.000 1.124 243 N CA -0.217 52.829 53.050 -0.006 0.000 0.838 243 N CB -0.306 38.184 38.487 0.005 0.000 0.994 243 N HN 0.224 nan 8.380 nan 0.000 0.489 244 I N -3.751 116.806 120.570 -0.021 0.000 2.689 244 I HA 0.587 4.756 4.170 -0.001 0.000 0.299 244 I C -0.703 175.396 176.117 -0.031 0.000 1.059 244 I CA -1.086 60.203 61.300 -0.018 0.000 1.055 244 I CB 2.176 40.167 38.000 -0.016 0.000 1.243 244 I HN -0.289 nan 8.210 nan 0.000 0.425 245 S N 2.837 118.527 115.700 -0.017 0.000 2.601 245 S HA 0.611 5.080 4.470 -0.001 0.000 0.271 245 S C -0.277 174.291 174.600 -0.054 0.000 1.305 245 S CA -0.543 57.645 58.200 -0.021 0.000 1.022 245 S CB 1.615 64.825 63.200 0.016 0.000 0.940 245 S HN 0.454 nan 8.310 nan 0.000 0.525 246 V N 4.051 123.918 119.914 -0.078 0.000 2.525 246 V HA 0.539 4.658 4.120 -0.001 0.000 0.299 246 V C -0.210 175.872 176.094 -0.020 0.000 1.034 246 V CA -0.604 61.601 62.300 -0.158 0.000 0.863 246 V CB 0.957 32.496 31.823 -0.472 0.000 0.999 246 V HN 0.836 nan 8.190 nan 0.000 0.423 247 I N 1.745 122.351 120.570 0.061 0.000 3.145 247 I HA 1.090 5.260 4.170 -0.001 0.000 0.313 247 I C -0.465 175.794 176.117 0.237 0.000 1.122 247 I CA -1.085 60.320 61.300 0.174 0.000 0.987 247 I CB 2.568 40.731 38.000 0.271 0.000 1.236 247 I HN 0.620 nan 8.210 nan 0.000 0.453 248 A N 2.443 125.399 122.820 0.225 0.000 2.520 248 A HA 0.779 5.098 4.320 -0.001 0.000 0.298 248 A C -1.508 176.053 177.584 -0.038 0.000 1.051 248 A CA -0.559 51.576 52.037 0.163 0.000 0.690 248 A CB 1.957 21.014 19.000 0.095 0.000 1.281 248 A HN 0.546 nan 8.150 nan 0.000 0.402 249 V N 1.062 120.707 119.914 -0.448 0.000 2.443 249 V HA 0.374 4.493 4.120 -0.001 0.000 0.293 249 V C -0.786 175.054 176.094 -0.423 0.000 1.021 249 V CA -0.456 61.442 62.300 -0.670 0.000 0.848 249 V CB 1.321 32.182 31.823 -1.603 0.000 0.998 249 V HN 0.993 nan 8.190 nan 0.000 0.424 250 C N 7.163 126.359 119.300 -0.174 0.000 2.409 250 C HA 0.442 4.901 4.460 -0.001 0.000 0.297 250 C C -2.433 172.540 174.990 -0.030 0.000 1.083 250 C CA -1.550 57.439 59.018 -0.048 0.000 1.515 250 C CB 0.570 28.331 27.740 0.035 0.000 1.869 250 C HN 0.592 nan 8.230 nan 0.000 0.413 251 P HA 0.098 nan 4.420 nan 0.000 0.268 251 P C -0.164 177.141 177.300 0.009 0.000 1.205 251 P CA 0.181 63.273 63.100 -0.013 0.000 0.771 251 P CB 0.592 32.280 31.700 -0.020 0.000 0.858 252 K N 2.359 122.778 120.400 0.032 0.000 2.765 252 K HA 0.557 4.876 4.320 -0.001 0.000 0.246 252 K C 0.431 177.043 176.600 0.019 0.000 1.254 252 K CA -0.162 56.139 56.287 0.024 0.000 1.219 252 K CB -0.158 32.364 32.500 0.036 0.000 1.747 252 K HN 0.720 nan 8.250 nan 0.000 0.372 253 G N 0.225 109.024 108.800 -0.001 0.000 2.411 253 G HA2 0.264 4.223 3.960 -0.001 0.000 0.295 253 G HA3 0.264 4.223 3.960 -0.001 0.000 0.295 253 G C -0.856 174.022 174.900 -0.038 0.000 1.542 253 G CA -1.044 44.050 45.100 -0.009 0.000 0.814 253 G HN 0.140 nan 8.290 nan 0.000 0.557 254 M N 1.146 120.708 119.600 -0.062 0.000 2.240 254 M HA 0.303 4.783 4.480 -0.001 0.000 0.333 254 M C 1.913 178.176 176.300 -0.062 0.000 1.110 254 M CA 0.543 55.786 55.300 -0.094 0.000 1.173 254 M CB 0.881 33.389 32.600 -0.154 0.000 1.458 254 M HN 0.796 nan 8.290 nan 0.000 0.458 255 G N 1.955 110.709 108.800 -0.078 0.000 2.599 255 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.219 255 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.219 255 G C -1.081 173.787 174.900 -0.053 0.000 1.193 255 G CA 0.937 45.991 45.100 -0.077 0.000 0.778 255 G HN 0.566 nan 8.290 nan 0.000 0.589 256 P HA -0.049 nan 4.420 nan 0.000 0.216 256 P C 2.172 179.486 177.300 0.023 0.000 1.150 256 P CA 1.712 64.811 63.100 -0.003 0.000 0.843 256 P CB -0.087 31.627 31.700 0.024 0.000 0.787 257 S N -1.158 114.555 115.700 0.023 0.000 2.406 257 S HA -0.066 4.403 4.470 -0.001 0.000 0.228 257 S C 1.947 176.580 174.600 0.055 0.000 1.020 257 S CA 0.724 58.951 58.200 0.045 0.000 0.965 257 S CB -1.032 62.194 63.200 0.043 0.000 0.798 257 S HN -0.051 nan 8.310 nan 0.000 0.488 258 V N 2.060 121.995 119.914 0.034 0.000 2.324 258 V HA -0.214 3.905 4.120 -0.001 0.000 0.250 258 V C 2.555 178.697 176.094 0.081 0.000 1.060 258 V CA 2.019 64.348 62.300 0.049 0.000 1.042 258 V CB -0.563 31.266 31.823 0.011 0.000 0.650 258 V HN 0.301 nan 8.190 nan 0.000 0.450 259 R N 0.404 120.935 120.500 0.051 0.000 2.062 259 R HA -0.055 4.284 4.340 -0.001 0.000 0.226 259 R C 2.416 178.802 176.300 0.144 0.000 1.125 259 R CA 1.669 57.815 56.100 0.077 0.000 0.966 259 R CB -0.687 29.628 30.300 0.026 0.000 0.861 259 R HN 0.414 nan 8.270 nan 0.000 0.433 260 R N 0.071 120.634 120.500 0.104 0.000 2.083 260 R HA -0.077 4.262 4.340 -0.001 0.000 0.237 260 R C 2.050 178.419 176.300 0.115 0.000 1.137 260 R CA 1.879 58.040 56.100 0.102 0.000 0.951 260 R CB -0.373 29.974 30.300 0.078 0.000 0.851 260 R HN 0.286 nan 8.270 nan 0.000 0.434 261 L N -0.450 120.843 121.223 0.117 0.000 2.217 261 L HA -0.163 4.176 4.340 -0.001 0.000 0.211 261 L C 2.275 179.217 176.870 0.121 0.000 1.107 261 L CA 0.940 55.842 54.840 0.102 0.000 0.783 261 L CB -0.610 41.505 42.059 0.093 0.000 0.919 261 L HN 0.310 nan 8.230 nan 0.000 0.442 262 Y N 0.873 121.208 120.300 0.058 0.000 2.145 262 Y HA -0.231 4.318 4.550 -0.001 0.000 0.286 262 Y C 2.456 178.401 175.900 0.076 0.000 1.145 262 Y CA 1.720 59.867 58.100 0.078 0.000 1.148 262 Y CB -0.208 38.306 38.460 0.090 0.000 0.981 262 Y HN -0.173 nan 8.280 nan 0.000 0.507 263 V N 0.903 120.948 119.914 0.219 0.000 2.295 263 V HA -0.351 3.768 4.120 -0.001 0.000 0.246 263 V C 2.269 178.367 176.094 0.007 0.000 1.049 263 V CA 2.307 64.676 62.300 0.116 0.000 1.024 263 V CB -0.854 31.061 31.823 0.153 0.000 0.648 263 V HN 0.476 nan 8.190 nan 0.000 0.447 264 Q N 0.196 120.009 119.800 0.022 0.000 2.135 264 Q HA -0.183 4.156 4.340 -0.001 0.000 0.204 264 Q C 2.352 178.325 176.000 -0.045 0.000 0.981 264 Q CA 1.715 57.518 55.803 -0.000 0.000 0.856 264 Q CB -0.588 28.162 28.738 0.019 0.000 0.902 264 Q HN 0.732 nan 8.270 nan 0.000 0.425 265 G N 1.228 109.977 108.800 -0.086 0.000 2.498 265 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.219 265 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.219 265 G C 1.151 175.939 174.900 -0.187 0.000 1.119 265 G CA 0.410 45.426 45.100 -0.141 0.000 0.766 265 G HN 0.267 nan 8.290 nan 0.000 0.552 266 K N -0.038 120.252 120.400 -0.182 0.000 2.362 266 K HA -0.013 4.306 4.320 -0.001 0.000 0.200 266 K C 1.784 178.330 176.600 -0.089 0.000 1.046 266 K CA 1.011 57.214 56.287 -0.141 0.000 0.952 266 K CB 0.139 32.586 32.500 -0.089 0.000 0.753 266 K HN 0.274 nan 8.250 nan 0.000 0.466 267 E N -0.423 119.734 120.200 -0.071 0.000 2.399 267 E HA 0.123 4.472 4.350 -0.001 0.000 0.206 267 E C 0.252 176.824 176.600 -0.047 0.000 0.812 267 E CA 0.213 56.585 56.400 -0.047 0.000 1.138 267 E CB 0.866 30.551 29.700 -0.025 0.000 1.140 267 E HN 0.049 nan 8.360 nan 0.000 0.536 268 I N 3.028 123.569 120.570 -0.049 0.000 2.354 268 I HA 0.222 4.392 4.170 -0.001 0.000 0.286 268 I C -0.204 175.880 176.117 -0.055 0.000 1.007 268 I CA -0.723 60.554 61.300 -0.039 0.000 1.167 268 I CB 0.669 38.658 38.000 -0.018 0.000 1.320 268 I HN -0.143 nan 8.210 nan 0.000 0.458 269 N N 4.490 123.156 118.700 -0.057 0.000 2.412 269 N HA 0.265 5.004 4.740 -0.001 0.000 0.258 269 N C 1.212 176.690 175.510 -0.054 0.000 1.236 269 N CA 0.868 53.874 53.050 -0.072 0.000 0.882 269 N CB 0.485 38.933 38.487 -0.064 0.000 1.066 269 N HN 0.946 nan 8.380 nan 0.000 0.465 270 G N 0.442 109.197 108.800 -0.075 0.000 2.176 270 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.253 270 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.253 270 G C 0.111 175.008 174.900 -0.005 0.000 0.979 270 G CA 0.023 45.095 45.100 -0.047 0.000 0.641 270 G HN 0.859 nan 8.290 nan 0.000 0.530 271 A N 0.092 122.902 122.820 -0.016 0.000 2.309 271 A HA 0.907 5.227 4.320 -0.001 0.000 0.290 271 A C 0.877 178.469 177.584 0.014 0.000 1.206 271 A CA 0.929 52.971 52.037 0.009 0.000 0.850 271 A CB 0.861 19.861 19.000 0.000 0.000 1.118 271 A HN 2.214 nan 8.150 nan 0.000 0.523 272 G N 0.801 109.635 108.800 0.056 0.000 2.316 272 G HA2 0.419 4.378 3.960 -0.001 0.000 0.296 272 G HA3 0.419 4.378 3.960 -0.001 0.000 0.296 272 G C -1.443 173.518 174.900 0.101 0.000 1.399 272 G CA -0.831 44.322 45.100 0.090 0.000 0.833 272 G HN 0.513 nan 8.290 nan 0.000 0.565 273 I N 1.833 122.469 120.570 0.109 0.000 2.336 273 I HA 0.286 4.456 4.170 -0.001 0.000 0.292 273 I C -0.025 176.162 176.117 0.115 0.000 0.991 273 I CA -1.027 60.334 61.300 0.101 0.000 1.227 273 I CB 1.195 39.240 38.000 0.075 0.000 1.366 273 I HN 0.359 nan 8.210 nan 0.000 0.466 274 N N 3.910 122.707 118.700 0.163 0.000 2.381 274 N HA 0.209 4.948 4.740 -0.001 0.000 0.241 274 N C -0.293 175.324 175.510 0.178 0.000 1.279 274 N CA 0.221 53.411 53.050 0.233 0.000 0.896 274 N CB 0.836 39.555 38.487 0.386 0.000 1.118 274 N HN 0.507 nan 8.380 nan 0.000 0.438 275 S N -0.942 114.877 115.700 0.198 0.000 2.627 275 S HA 0.593 5.062 4.470 -0.001 0.000 0.283 275 S C -0.561 174.183 174.600 0.240 0.000 1.127 275 S CA -0.942 57.334 58.200 0.126 0.000 0.863 275 S CB 1.531 64.718 63.200 -0.021 0.000 1.121 275 S HN 0.601 nan 8.310 nan 0.000 0.479 276 S N 0.948 116.749 115.700 0.169 0.000 2.621 276 S HA 0.891 5.360 4.470 -0.001 0.000 0.302 276 S C -0.796 173.890 174.600 0.143 0.000 1.093 276 S CA -0.756 57.568 58.200 0.207 0.000 1.017 276 S CB 0.902 64.191 63.200 0.148 0.000 1.077 276 S HN 0.744 nan 8.310 nan 0.000 0.517 277 F N -0.530 119.382 119.950 -0.063 0.000 2.593 277 F HA 0.966 5.492 4.527 -0.001 0.000 0.320 277 F C -0.689 175.067 175.800 -0.074 0.000 1.060 277 F CA -1.205 56.721 58.000 -0.122 0.000 0.940 277 F CB 1.164 40.046 39.000 -0.197 0.000 1.268 277 F HN 0.936 nan 8.300 nan 0.000 0.475 278 A N 1.774 124.446 122.820 -0.246 0.000 2.539 278 A HA 0.778 5.097 4.320 -0.001 0.000 0.296 278 A C -2.069 175.486 177.584 -0.047 0.000 1.073 278 A CA -0.831 51.020 52.037 -0.309 0.000 0.700 278 A CB 1.793 20.715 19.000 -0.131 0.000 1.296 278 A HN 0.926 nan 8.150 nan 0.000 0.405 279 V N 2.214 122.103 119.914 -0.042 0.000 2.349 279 V HA 0.253 4.372 4.120 -0.001 0.000 0.284 279 V C 0.646 176.782 176.094 0.070 0.000 1.014 279 V CA -0.032 62.315 62.300 0.078 0.000 0.826 279 V CB 0.816 32.713 31.823 0.124 0.000 1.009 279 V HN 1.152 nan 8.190 nan 0.000 0.431 280 H N 3.663 122.714 119.070 -0.031 0.000 2.399 280 H HA 0.281 4.836 4.556 -0.001 0.000 0.300 280 H C 0.626 175.933 175.328 -0.034 0.000 1.048 280 H CA 1.307 57.330 56.048 -0.042 0.000 1.370 280 H CB 0.642 30.353 29.762 -0.085 0.000 1.428 280 H HN 0.630 nan 8.280 nan 0.000 0.534 281 Q N 0.011 119.751 119.800 -0.101 0.000 2.359 281 Q HA 0.258 4.597 4.340 -0.001 0.000 0.274 281 Q C -1.751 174.225 176.000 -0.039 0.000 1.074 281 Q CA -0.833 54.892 55.803 -0.131 0.000 0.810 281 Q CB 2.740 31.398 28.738 -0.133 0.000 1.342 281 Q HN 0.219 nan 8.270 nan 0.000 0.427 282 D N 1.609 121.995 120.400 -0.024 0.000 2.402 282 D HA 0.178 4.817 4.640 -0.001 0.000 0.252 282 D C 0.342 176.645 176.300 0.006 0.000 1.294 282 D CA -0.492 53.516 54.000 0.012 0.000 0.948 282 D CB 1.627 42.449 40.800 0.038 0.000 1.202 282 D HN 0.368 nan 8.370 nan 0.000 0.561 283 V N 1.352 121.270 119.914 0.007 0.000 2.951 283 V HA 0.163 4.283 4.120 -0.001 0.000 0.255 283 V C 0.673 176.775 176.094 0.013 0.000 1.088 283 V CA 1.468 63.770 62.300 0.005 0.000 1.109 283 V CB -0.180 31.645 31.823 0.002 0.000 0.724 283 V HN 0.506 nan 8.190 nan 0.000 0.471 284 D N -1.522 118.892 120.400 0.023 0.000 2.538 284 D HA 0.298 4.938 4.640 -0.001 0.000 0.241 284 D C 1.438 177.758 176.300 0.032 0.000 1.297 284 D CA 0.453 54.468 54.000 0.025 0.000 0.804 284 D CB 0.285 41.101 40.800 0.026 0.000 1.122 284 D HN 0.812 nan 8.370 nan 0.000 0.519 285 G N 1.119 109.942 108.800 0.039 0.000 2.176 285 G HA2 -0.371 3.588 3.960 -0.001 0.000 0.253 285 G HA3 -0.371 3.588 3.960 -0.001 0.000 0.253 285 G C 1.208 176.145 174.900 0.062 0.000 0.979 285 G CA 0.275 45.403 45.100 0.048 0.000 0.641 285 G HN 0.393 nan 8.290 nan 0.000 0.530 286 R N 0.300 120.840 120.500 0.066 0.000 2.246 286 R HA 0.453 4.792 4.340 -0.001 0.000 0.199 286 R C 2.933 179.300 176.300 0.111 0.000 0.984 286 R CA 0.977 57.127 56.100 0.084 0.000 1.015 286 R CB -0.121 30.228 30.300 0.082 0.000 0.930 286 R HN 0.461 nan 8.270 nan 0.000 0.475 287 A N 0.843 123.728 122.820 0.108 0.000 1.908 287 A HA -0.166 4.153 4.320 -0.001 0.000 0.218 287 A C 2.050 179.734 177.584 0.168 0.000 1.181 287 A CA 1.902 54.019 52.037 0.132 0.000 0.627 287 A CB -0.716 18.350 19.000 0.110 0.000 0.818 287 A HN 0.189 nan 8.150 nan 0.000 0.445 288 T N 0.111 114.765 114.554 0.167 0.000 2.708 288 T HA -0.118 4.231 4.350 -0.001 0.000 0.266 288 T C 1.535 176.298 174.700 0.106 0.000 1.037 288 T CA 1.465 63.675 62.100 0.183 0.000 1.146 288 T CB -0.401 68.608 68.868 0.234 0.000 0.865 288 T HN 0.457 nan 8.240 nan 0.000 0.435 289 D N 0.759 121.244 120.400 0.140 0.000 2.178 289 D HA -0.043 4.596 4.640 -0.001 0.000 0.201 289 D C 2.248 178.654 176.300 0.177 0.000 0.980 289 D CA 0.605 54.709 54.000 0.172 0.000 0.842 289 D CB -0.305 40.565 40.800 0.117 0.000 0.948 289 D HN 0.206 nan 8.370 nan 0.000 0.472 290 V N 1.543 121.584 119.914 0.212 0.000 2.307 290 V HA -0.217 3.903 4.120 -0.001 0.000 0.245 290 V C 2.592 178.918 176.094 0.388 0.000 1.045 290 V CA 1.716 64.231 62.300 0.358 0.000 1.024 290 V CB -0.781 31.234 31.823 0.320 0.000 0.651 290 V HN 0.157 nan 8.190 nan 0.000 0.449 291 A N -0.048 122.934 122.820 0.270 0.000 1.883 291 A HA -0.187 4.133 4.320 -0.001 0.000 0.217 291 A C 2.228 179.797 177.584 -0.025 0.000 1.186 291 A CA 1.992 54.181 52.037 0.253 0.000 0.624 291 A CB -0.619 18.532 19.000 0.252 0.000 0.822 291 A HN 0.494 nan 8.150 nan 0.000 0.444 292 L N -0.766 120.278 121.223 -0.298 0.000 2.046 292 L HA -0.115 4.224 4.340 -0.001 0.000 0.208 292 L C 2.862 179.434 176.870 -0.496 0.000 1.077 292 L CA 1.019 55.489 54.840 -0.616 0.000 0.747 292 L CB -0.878 40.707 42.059 -0.789 0.000 0.896 292 L HN 0.508 nan 8.230 nan 0.000 0.432 293 G N -0.447 108.249 108.800 -0.173 0.000 2.446 293 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.217 293 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.217 293 G C 1.230 176.216 174.900 0.143 0.000 1.168 293 G CA 0.692 45.663 45.100 -0.216 0.000 0.771 293 G HN 0.470 nan 8.290 nan 0.000 0.551 294 W N 1.625 123.064 121.300 0.231 0.000 2.333 294 W HA -0.091 4.569 4.660 -0.001 0.000 0.316 294 W C 2.790 179.353 176.519 0.073 0.000 1.215 294 W CA 1.479 58.980 57.345 0.259 0.000 1.278 294 W CB -0.960 28.613 29.460 0.188 0.000 1.154 294 W HN 0.215 nan 8.180 nan 0.000 0.486 295 S N -0.180 115.478 115.700 -0.070 0.000 2.359 295 S HA -0.193 4.277 4.470 -0.001 0.000 0.224 295 S C 1.974 176.521 174.600 -0.089 0.000 1.035 295 S CA 2.094 60.159 58.200 -0.226 0.000 1.018 295 S CB -0.757 62.265 63.200 -0.296 0.000 0.876 295 S HN 0.059 nan 8.310 nan 0.000 0.448 296 V N 1.945 121.790 119.914 -0.114 0.000 2.343 296 V HA -0.133 3.987 4.120 -0.001 0.000 0.247 296 V C 2.777 178.988 176.094 0.194 0.000 1.051 296 V CA 1.795 64.090 62.300 -0.008 0.000 1.036 296 V CB -1.252 30.502 31.823 -0.116 0.000 0.654 296 V HN 0.608 nan 8.190 nan 0.000 0.451 297 A N -0.632 122.265 122.820 0.128 0.000 2.067 297 A HA -0.068 4.251 4.320 -0.001 0.000 0.219 297 A C 2.119 179.783 177.584 0.134 0.000 1.158 297 A CA 1.254 53.317 52.037 0.043 0.000 0.661 297 A CB -0.462 18.617 19.000 0.132 0.000 0.801 297 A HN 0.529 nan 8.150 nan 0.000 0.452 298 L N -1.536 119.787 121.223 0.167 0.000 2.465 298 L HA 0.074 4.414 4.340 -0.001 0.000 0.224 298 L C 1.746 178.781 176.870 0.275 0.000 1.145 298 L CA 0.735 55.648 54.840 0.121 0.000 0.834 298 L CB -0.279 41.815 42.059 0.058 0.000 0.944 298 L HN 0.609 nan 8.230 nan 0.000 0.451 299 G N -0.743 108.283 108.800 0.378 0.000 2.144 299 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.218 299 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.218 299 G C 0.248 175.253 174.900 0.176 0.000 0.988 299 G CA 0.099 45.444 45.100 0.409 0.000 0.659 299 G HN 0.259 nan 8.290 nan 0.000 0.522 300 S N 1.620 117.381 115.700 0.101 0.000 2.555 300 S HA 0.301 4.770 4.470 -0.001 0.000 0.293 300 S C -0.541 174.041 174.600 -0.030 0.000 1.248 300 S CA 0.148 58.372 58.200 0.040 0.000 1.096 300 S CB 1.336 64.534 63.200 -0.004 0.000 0.881 300 S HN 0.280 nan 8.310 nan 0.000 0.498 301 P HA 0.056 nan 4.420 nan 0.000 0.219 301 P C -0.235 176.720 177.300 -0.575 0.000 1.150 301 P CA 1.018 63.977 63.100 -0.234 0.000 0.814 301 P CB 0.197 31.842 31.700 -0.092 0.000 0.787 302 F N -2.299 117.620 119.950 -0.053 0.000 2.578 302 F HA 0.383 4.909 4.527 -0.002 0.000 0.311 302 F C 0.006 175.674 175.800 -0.220 0.000 1.094 302 F CA -0.662 57.213 58.000 -0.208 0.000 0.923 302 F CB 1.767 40.553 39.000 -0.357 0.000 1.230 302 F HN -0.552 nan 8.300 nan 0.000 0.450 303 T N 3.337 117.818 114.554 -0.122 0.000 2.791 303 T HA 0.526 4.875 4.350 -0.001 0.000 0.288 303 T C -0.736 173.903 174.700 -0.103 0.000 0.999 303 T CA -0.424 61.632 62.100 -0.073 0.000 0.952 303 T CB 0.235 69.004 68.868 -0.166 0.000 0.938 303 T HN 0.162 nan 8.240 nan 0.000 0.444 304 F N 1.654 121.719 119.950 0.192 0.000 2.378 304 F HA 0.659 5.186 4.527 -0.001 0.000 0.325 304 F C 0.808 176.725 175.800 0.194 0.000 1.097 304 F CA -1.080 57.037 58.000 0.194 0.000 1.079 304 F CB 0.833 39.906 39.000 0.122 0.000 1.240 304 F HN 0.536 nan 8.300 nan 0.000 0.519 305 A N 1.555 124.571 122.820 0.328 0.000 2.276 305 A HA 0.665 4.985 4.320 -0.001 0.000 0.316 305 A C -0.180 177.378 177.584 -0.044 0.000 1.229 305 A CA -0.233 51.801 52.037 -0.005 0.000 0.851 305 A CB 1.082 20.207 19.000 0.207 0.000 1.165 305 A HN 0.745 nan 8.150 nan 0.000 0.513 306 T N 0.106 114.522 114.554 -0.231 0.000 2.654 306 T HA 0.775 5.124 4.350 -0.001 0.000 0.289 306 T C -0.117 174.471 174.700 -0.187 0.000 1.062 306 T CA 0.333 62.354 62.100 -0.131 0.000 1.041 306 T CB 1.443 70.281 68.868 -0.050 0.000 1.417 306 T HN 1.207 nan 8.240 nan 0.000 0.510 307 T N 0.292 114.775 114.554 -0.117 0.000 2.940 307 T HA 0.532 4.881 4.350 -0.001 0.000 0.288 307 T C 1.396 176.056 174.700 -0.066 0.000 1.033 307 T CA -0.878 61.167 62.100 -0.091 0.000 1.033 307 T CB 1.088 69.914 68.868 -0.070 0.000 1.079 307 T HN 0.476 nan 8.240 nan 0.000 0.496 308 L N 0.384 121.594 121.223 -0.021 0.000 2.083 308 L HA -0.064 4.276 4.340 -0.001 0.000 0.209 308 L C 2.826 179.682 176.870 -0.023 0.000 1.083 308 L CA 1.742 56.582 54.840 -0.001 0.000 0.752 308 L CB -0.339 41.713 42.059 -0.011 0.000 0.899 308 L HN 0.946 nan 8.230 nan 0.000 0.433 309 E N -0.551 119.590 120.200 -0.098 0.000 2.051 309 E HA -0.281 4.069 4.350 -0.001 0.000 0.192 309 E C 2.141 178.425 176.600 -0.526 0.000 0.991 309 E CA 1.340 57.512 56.400 -0.380 0.000 0.799 309 E CB 0.077 29.650 29.700 -0.210 0.000 0.748 309 E HN 0.545 nan 8.360 nan 0.000 0.449 310 Q N 0.052 119.691 119.800 -0.267 0.000 2.119 310 Q HA -0.185 4.155 4.340 -0.001 0.000 0.201 310 Q C 2.205 178.198 176.000 -0.011 0.000 0.972 310 Q CA 1.141 56.835 55.803 -0.181 0.000 0.847 310 Q CB -0.057 28.544 28.738 -0.227 0.000 0.903 310 Q HN 0.225 nan 8.270 nan 0.000 0.433 311 E N 0.603 120.789 120.200 -0.023 0.000 2.051 311 E HA -0.206 4.143 4.350 -0.001 0.000 0.192 311 E C 2.010 178.692 176.600 0.138 0.000 0.991 311 E CA 1.480 57.925 56.400 0.076 0.000 0.799 311 E CB -0.132 29.617 29.700 0.081 0.000 0.748 311 E HN 0.541 nan 8.360 nan 0.000 0.449 312 Y N 0.768 121.095 120.300 0.046 0.000 2.242 312 Y HA -0.009 4.540 4.550 -0.001 0.000 0.291 312 Y C 2.052 178.007 175.900 0.090 0.000 1.137 312 Y CA 1.321 59.444 58.100 0.038 0.000 1.181 312 Y CB -0.622 37.761 38.460 -0.129 0.000 0.989 312 Y HN -0.123 nan 8.280 nan 0.000 0.527 313 K N 0.420 120.692 120.400 -0.214 0.000 2.026 313 K HA -0.165 4.155 4.320 -0.001 0.000 0.208 313 K C 2.571 179.200 176.600 0.049 0.000 1.048 313 K CA 1.547 57.739 56.287 -0.158 0.000 0.929 313 K CB -0.459 31.835 32.500 -0.343 0.000 0.713 313 K HN 0.377 nan 8.250 nan 0.000 0.439 314 S N 1.254 117.035 115.700 0.136 0.000 2.370 314 S HA -0.231 4.238 4.470 -0.001 0.000 0.226 314 S C 1.896 176.604 174.600 0.180 0.000 1.033 314 S CA 1.835 60.118 58.200 0.138 0.000 1.011 314 S CB -0.328 62.923 63.200 0.086 0.000 0.852 314 S HN 0.296 nan 8.310 nan 0.000 0.457 315 D N 0.331 120.845 120.400 0.190 0.000 2.091 315 D HA -0.047 4.592 4.640 -0.001 0.000 0.199 315 D C 2.034 178.413 176.300 0.132 0.000 0.980 315 D CA 1.294 55.387 54.000 0.155 0.000 0.831 315 D CB -0.196 40.742 40.800 0.230 0.000 0.987 315 D HN 0.526 nan 8.370 nan 0.000 0.460 316 I N 0.315 121.023 120.570 0.230 0.000 2.353 316 I HA -0.191 3.978 4.170 -0.001 0.000 0.248 316 I C 2.426 178.598 176.117 0.093 0.000 1.119 316 I CA 0.551 61.961 61.300 0.184 0.000 1.417 316 I CB -0.343 37.822 38.000 0.275 0.000 1.078 316 I HN 0.013 nan 8.210 nan 0.000 0.421 317 F N 1.784 121.696 119.950 -0.064 0.000 2.146 317 F HA -0.039 4.487 4.527 -0.001 0.000 0.298 317 F C 2.259 178.002 175.800 -0.095 0.000 1.096 317 F CA 1.533 59.452 58.000 -0.135 0.000 1.275 317 F CB -0.869 38.045 39.000 -0.144 0.000 1.008 317 F HN -0.038 nan 8.300 nan 0.000 0.480 318 G N 0.736 109.366 108.800 -0.284 0.000 2.440 318 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.218 318 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.218 318 G C 1.489 176.189 174.900 -0.334 0.000 1.154 318 G CA 0.910 45.761 45.100 -0.416 0.000 0.767 318 G HN 0.637 nan 8.290 nan 0.000 0.552 319 E N 0.327 120.413 120.200 -0.190 0.000 2.208 319 E HA -0.060 4.289 4.350 -0.001 0.000 0.193 319 E C 2.360 178.887 176.600 -0.120 0.000 0.988 319 E CA 0.455 56.778 56.400 -0.128 0.000 0.828 319 E CB -0.247 29.412 29.700 -0.068 0.000 0.763 319 E HN 0.373 nan 8.360 nan 0.000 0.478 320 R N 1.018 121.411 120.500 -0.177 0.000 2.153 320 R HA 0.084 4.423 4.340 -0.001 0.000 0.218 320 R C 1.716 177.920 176.300 -0.161 0.000 1.072 320 R CA 0.829 56.854 56.100 -0.125 0.000 0.990 320 R CB 0.026 30.126 30.300 -0.334 0.000 0.889 320 R HN 0.221 nan 8.270 nan 0.000 0.452 321 G N 0.324 108.865 108.800 -0.432 0.000 2.928 321 G HA2 -0.022 3.937 3.960 -0.001 0.000 0.163 321 G HA3 -0.022 3.937 3.960 -0.001 0.000 0.163 321 G C 0.850 175.482 174.900 -0.448 0.000 1.573 321 G CA -0.484 44.293 45.100 -0.538 0.000 1.084 321 G HN 0.115 nan 8.290 nan 0.000 0.569 322 I N 0.105 120.426 120.570 -0.414 0.000 2.567 322 I HA -0.065 4.104 4.170 -0.001 0.000 0.257 322 I C 2.485 178.517 176.117 -0.141 0.000 1.184 322 I CA 0.565 61.692 61.300 -0.288 0.000 1.451 322 I CB -0.015 37.812 38.000 -0.289 0.000 1.089 322 I HN 0.255 nan 8.210 nan 0.000 0.441 323 L N -0.542 120.591 121.223 -0.149 0.000 2.083 323 L HA -0.187 4.153 4.340 -0.001 0.000 0.209 323 L C 1.926 178.776 176.870 -0.033 0.000 1.083 323 L CA 1.078 55.876 54.840 -0.070 0.000 0.752 323 L CB -0.217 41.792 42.059 -0.084 0.000 0.899 323 L HN 0.388 nan 8.230 nan 0.000 0.433 324 L N -2.737 118.454 121.223 -0.053 0.000 1.918 324 L HA 0.291 4.630 4.340 -0.001 0.000 0.150 324 L C 1.958 178.847 176.870 0.032 0.000 1.315 324 L CA 1.166 56.006 54.840 -0.000 0.000 1.085 324 L CB -0.959 41.098 42.059 -0.003 0.000 2.248 324 L HN -0.076 nan 8.230 nan 0.000 0.481 325 G N 0.288 109.104 108.800 0.027 0.000 2.491 325 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.218 325 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.218 325 G C 1.429 176.343 174.900 0.024 0.000 1.180 325 G CA 1.335 46.504 45.100 0.116 0.000 0.774 325 G HN 0.609 nan 8.290 nan 0.000 0.562 326 A N -0.289 122.342 122.820 -0.314 0.000 1.969 326 A HA 0.187 4.507 4.320 -0.001 0.000 0.218 326 A C 2.595 180.004 177.584 -0.291 0.000 1.169 326 A CA 1.624 53.176 52.037 -0.808 0.000 0.635 326 A CB -0.475 17.630 19.000 -1.493 0.000 0.810 326 A HN 0.259 nan 8.150 nan 0.000 0.445 327 V N -0.414 119.446 119.914 -0.090 0.000 2.295 327 V HA -0.306 3.813 4.120 -0.001 0.000 0.246 327 V C 2.433 178.640 176.094 0.188 0.000 1.049 327 V CA 2.285 64.636 62.300 0.087 0.000 1.024 327 V CB -0.960 30.943 31.823 0.133 0.000 0.648 327 V HN 0.849 nan 8.190 nan 0.000 0.447 328 H N -0.071 119.054 119.070 0.090 0.000 2.319 328 H HA -0.156 4.399 4.556 -0.001 0.000 0.299 328 H C 2.259 177.706 175.328 0.198 0.000 1.092 328 H CA 1.463 57.618 56.048 0.179 0.000 1.302 328 H CB -0.183 29.659 29.762 0.133 0.000 1.373 328 H HN 0.455 nan 8.280 nan 0.000 0.497 329 G N 1.391 110.251 108.800 0.100 0.000 2.418 329 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.217 329 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.217 329 G C 1.813 176.782 174.900 0.114 0.000 1.158 329 G CA 1.059 46.195 45.100 0.060 0.000 0.771 329 G HN 0.658 nan 8.290 nan 0.000 0.545 330 I N 0.207 120.842 120.570 0.109 0.000 2.439 330 I HA -0.059 4.110 4.170 -0.001 0.000 0.251 330 I C 2.601 178.796 176.117 0.130 0.000 1.139 330 I CA 1.416 62.781 61.300 0.107 0.000 1.438 330 I CB -0.482 37.563 38.000 0.076 0.000 1.085 330 I HN 0.086 nan 8.210 nan 0.000 0.427 331 V N -0.696 119.309 119.914 0.150 0.000 2.453 331 V HA -0.089 4.031 4.120 -0.001 0.000 0.247 331 V C 2.403 178.567 176.094 0.118 0.000 1.048 331 V CA 1.424 63.796 62.300 0.121 0.000 1.049 331 V CB -0.987 30.912 31.823 0.126 0.000 0.672 331 V HN 0.398 nan 8.190 nan 0.000 0.457 332 E N 1.475 121.776 120.200 0.168 0.000 2.077 332 E HA -0.165 4.185 4.350 -0.001 0.000 0.193 332 E C 2.439 179.134 176.600 0.158 0.000 0.989 332 E CA 1.740 58.227 56.400 0.144 0.000 0.800 332 E CB -0.505 29.278 29.700 0.138 0.000 0.746 332 E HN 0.718 nan 8.360 nan 0.000 0.452 333 A N 1.318 124.231 122.820 0.154 0.000 1.877 333 A HA -0.133 4.187 4.320 -0.001 0.000 0.216 333 A C 2.385 180.137 177.584 0.280 0.000 1.186 333 A CA 1.065 53.231 52.037 0.215 0.000 0.620 333 A CB -0.718 18.360 19.000 0.130 0.000 0.822 333 A HN 0.135 nan 8.150 nan 0.000 0.443 334 L N -2.153 119.160 121.223 0.149 0.000 2.027 334 L HA -0.137 4.203 4.340 -0.001 0.000 0.206 334 L C 2.486 179.059 176.870 -0.494 0.000 1.074 334 L CA 1.650 56.328 54.840 -0.270 0.000 0.745 334 L CB -0.567 41.306 42.059 -0.310 0.000 0.898 334 L HN 0.514 nan 8.230 nan 0.000 0.433 335 F N 0.762 120.535 119.950 -0.295 0.000 2.095 335 F HA -0.266 4.260 4.527 -0.001 0.000 0.298 335 F C 2.827 178.555 175.800 -0.119 0.000 1.104 335 F CA 1.646 59.536 58.000 -0.183 0.000 1.232 335 F CB -0.199 38.721 39.000 -0.133 0.000 0.987 335 F HN -0.126 nan 8.300 nan 0.000 0.475 336 R N 0.294 120.850 120.500 0.093 0.000 2.083 336 R HA -0.218 4.121 4.340 -0.001 0.000 0.237 336 R C 2.618 178.853 176.300 -0.109 0.000 1.137 336 R CA 1.841 57.952 56.100 0.017 0.000 0.951 336 R CB -0.435 29.927 30.300 0.103 0.000 0.851 336 R HN 0.303 nan 8.270 nan 0.000 0.434 337 R N -0.668 119.737 120.500 -0.159 0.000 2.080 337 R HA -0.198 4.142 4.340 -0.001 0.000 0.236 337 R C 2.039 178.235 176.300 -0.173 0.000 1.137 337 R CA 1.919 57.863 56.100 -0.261 0.000 0.943 337 R CB -0.408 29.520 30.300 -0.621 0.000 0.846 337 R HN 0.264 nan 8.270 nan 0.000 0.431 338 Y N 0.842 120.964 120.300 -0.297 0.000 2.181 338 Y HA -0.170 4.379 4.550 -0.001 0.000 0.288 338 Y C 2.806 178.530 175.900 -0.293 0.000 1.146 338 Y CA 1.656 59.575 58.100 -0.302 0.000 1.164 338 Y CB -1.248 37.032 38.460 -0.300 0.000 0.982 338 Y HN 0.338 nan 8.280 nan 0.000 0.515 339 T N -2.410 112.012 114.554 -0.220 0.000 2.821 339 T HA -0.142 4.207 4.350 -0.001 0.000 0.267 339 T C 1.995 176.604 174.700 -0.151 0.000 1.046 339 T CA 1.604 63.548 62.100 -0.260 0.000 1.139 339 T CB -0.742 67.859 68.868 -0.446 0.000 0.871 339 T HN 0.385 nan 8.240 nan 0.000 0.454 340 E N 1.749 121.872 120.200 -0.127 0.000 2.118 340 E HA -0.211 4.139 4.350 -0.001 0.000 0.195 340 E C 2.037 178.589 176.600 -0.080 0.000 0.992 340 E CA 1.568 57.916 56.400 -0.086 0.000 0.804 340 E CB -1.224 28.430 29.700 -0.075 0.000 0.741 340 E HN 0.863 nan 8.360 nan 0.000 0.458 341 Q N -1.871 117.875 119.800 -0.090 0.000 2.435 341 Q HA 0.264 4.603 4.340 -0.001 0.000 0.207 341 Q C 1.420 177.371 176.000 -0.081 0.000 0.956 341 Q CA 0.455 56.206 55.803 -0.087 0.000 0.917 341 Q CB 0.560 29.236 28.738 -0.102 0.000 0.997 341 Q HN 0.722 nan 8.270 nan 0.000 0.497 342 G N 0.597 109.347 108.800 -0.084 0.000 2.192 342 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.193 342 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.193 342 G C 0.038 174.889 174.900 -0.082 0.000 0.999 342 G CA -0.147 44.908 45.100 -0.075 0.000 0.659 342 G HN 0.271 nan 8.290 nan 0.000 0.503 343 M N 2.901 122.441 119.600 -0.100 0.000 2.239 343 M HA 0.301 4.781 4.480 -0.001 0.000 0.348 343 M C 0.778 177.020 176.300 -0.098 0.000 1.239 343 M CA -0.235 55.005 55.300 -0.100 0.000 1.114 343 M CB 0.314 32.844 32.600 -0.118 0.000 1.641 343 M HN 0.425 nan 8.290 nan 0.000 0.453 344 D N 4.159 124.522 120.400 -0.063 0.000 2.423 344 D HA -0.065 4.574 4.640 -0.001 0.000 0.238 344 D C 0.152 176.427 176.300 -0.042 0.000 1.142 344 D CA 0.146 54.121 54.000 -0.043 0.000 0.884 344 D CB 0.644 41.435 40.800 -0.015 0.000 1.199 344 D HN 0.737 nan 8.370 nan 0.000 0.438 345 E N 1.261 121.448 120.200 -0.022 0.000 2.070 345 E HA -0.245 4.104 4.350 -0.001 0.000 0.197 345 E C 1.579 178.298 176.600 0.198 0.000 1.004 345 E CA 1.565 57.994 56.400 0.049 0.000 0.805 345 E CB 0.049 29.839 29.700 0.149 0.000 0.744 345 E HN 0.546 nan 8.360 nan 0.000 0.451 346 E N 0.639 120.917 120.200 0.130 0.000 2.058 346 E HA -0.211 4.138 4.350 -0.001 0.000 0.194 346 E C 1.924 178.629 176.600 0.176 0.000 0.997 346 E CA 1.180 57.662 56.400 0.137 0.000 0.801 346 E CB -0.257 29.484 29.700 0.067 0.000 0.746 346 E HN 0.206 nan 8.360 nan 0.000 0.450 347 M N 0.059 119.724 119.600 0.109 0.000 2.108 347 M HA -0.163 4.316 4.480 -0.001 0.000 0.261 347 M C 2.059 178.432 176.300 0.122 0.000 1.066 347 M CA 1.867 57.222 55.300 0.092 0.000 1.107 347 M CB -0.086 32.533 32.600 0.032 0.000 1.356 347 M HN 0.189 nan 8.290 nan 0.000 0.406 348 A N -0.945 121.943 122.820 0.112 0.000 1.902 348 A HA -0.241 4.078 4.320 -0.001 0.000 0.217 348 A C 1.972 179.765 177.584 0.349 0.000 1.181 348 A CA 1.672 53.795 52.037 0.143 0.000 0.623 348 A CB -1.274 17.587 19.000 -0.232 0.000 0.818 348 A HN 0.708 nan 8.150 nan 0.000 0.443 349 Y N 0.677 121.177 120.300 0.332 0.000 2.145 349 Y HA -0.210 4.339 4.550 -0.001 0.000 0.286 349 Y C 2.316 178.298 175.900 0.138 0.000 1.145 349 Y CA 2.333 60.564 58.100 0.219 0.000 1.148 349 Y CB -0.171 38.352 38.460 0.105 0.000 0.981 349 Y HN 0.266 nan 8.280 nan 0.000 0.507 350 K N -0.235 120.320 120.400 0.258 0.000 2.057 350 K HA -0.177 4.143 4.320 -0.001 0.000 0.207 350 K C 1.637 178.295 176.600 0.098 0.000 1.049 350 K CA 1.439 57.826 56.287 0.166 0.000 0.931 350 K CB -0.213 32.388 32.500 0.169 0.000 0.714 350 K HN 0.295 nan 8.250 nan 0.000 0.440 351 N N 0.137 118.908 118.700 0.119 0.000 2.494 351 N HA -0.069 4.670 4.740 -0.001 0.000 0.182 351 N C 1.484 177.075 175.510 0.134 0.000 1.076 351 N CA 1.337 54.464 53.050 0.128 0.000 0.908 351 N CB 0.233 38.756 38.487 0.060 0.000 0.967 351 N HN 0.411 nan 8.380 nan 0.000 0.449 352 T N -3.105 111.494 114.554 0.075 0.000 3.587 352 T HA 0.125 4.475 4.350 -0.001 0.000 0.221 352 T C 1.947 176.594 174.700 -0.090 0.000 0.921 352 T CA 0.287 62.398 62.100 0.018 0.000 1.426 352 T CB -0.630 68.244 68.868 0.010 0.000 1.340 352 T HN -0.214 nan 8.240 nan 0.000 0.423 353 V N 2.618 122.363 119.914 -0.282 0.000 2.261 353 V HA -0.136 3.984 4.120 -0.001 0.000 0.246 353 V C 3.064 179.070 176.094 -0.147 0.000 1.047 353 V CA 2.134 64.255 62.300 -0.298 0.000 1.015 353 V CB -0.796 30.606 31.823 -0.701 0.000 0.642 353 V HN 0.519 nan 8.190 nan 0.000 0.446 354 E N 0.573 120.680 120.200 -0.155 0.000 2.058 354 E HA -0.196 4.153 4.350 -0.001 0.000 0.194 354 E C 2.339 179.008 176.600 0.116 0.000 0.997 354 E CA 1.669 58.128 56.400 0.098 0.000 0.801 354 E CB -0.756 29.027 29.700 0.140 0.000 0.746 354 E HN 0.631 nan 8.360 nan 0.000 0.450 355 G N 1.411 110.239 108.800 0.046 0.000 2.421 355 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.216 355 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.216 355 G C 1.778 176.651 174.900 -0.045 0.000 1.171 355 G CA 0.698 45.817 45.100 0.032 0.000 0.775 355 G HN 0.154 nan 8.290 nan 0.000 0.543 356 I N 1.360 121.866 120.570 -0.107 0.000 2.142 356 I HA -0.187 3.983 4.170 -0.001 0.000 0.240 356 I C 3.153 179.124 176.117 -0.244 0.000 1.078 356 I CA 1.888 63.005 61.300 -0.305 0.000 1.343 356 I CB -0.417 37.351 38.000 -0.386 0.000 1.046 356 I HN 0.348 nan 8.210 nan 0.000 0.405 357 T N -2.084 112.417 114.554 -0.088 0.000 3.085 357 T HA 0.130 4.480 4.350 -0.001 0.000 0.263 357 T C 1.290 175.891 174.700 -0.165 0.000 1.127 357 T CA 0.590 62.677 62.100 -0.021 0.000 1.103 357 T CB -0.271 68.685 68.868 0.146 0.000 0.921 357 T HN 0.407 nan 8.240 nan 0.000 0.510 358 G N 1.248 109.884 108.800 -0.272 0.000 2.766 358 G HA2 0.354 4.314 3.960 -0.001 0.000 0.206 358 G HA3 0.354 4.314 3.960 -0.001 0.000 0.206 358 G C 0.948 175.709 174.900 -0.231 0.000 2.072 358 G CA 0.043 44.808 45.100 -0.558 0.000 0.798 358 G HN 0.253 nan 8.290 nan 0.000 0.703 359 I N 1.132 121.629 120.570 -0.122 0.000 2.264 359 I HA -0.098 4.071 4.170 -0.001 0.000 0.248 359 I C 2.630 178.734 176.117 -0.022 0.000 1.111 359 I CA 1.036 62.306 61.300 -0.050 0.000 1.382 359 I CB -0.191 37.806 38.000 -0.005 0.000 1.060 359 I HN 0.324 nan 8.210 nan 0.000 0.418 360 I N -0.763 119.792 120.570 -0.026 0.000 2.179 360 I HA -0.302 3.867 4.170 -0.001 0.000 0.242 360 I C 2.496 178.624 176.117 0.019 0.000 1.088 360 I CA 1.409 62.715 61.300 0.011 0.000 1.357 360 I CB -0.522 37.460 38.000 -0.030 0.000 1.051 360 I HN 0.115 nan 8.210 nan 0.000 0.409 361 S N 0.486 116.161 115.700 -0.041 0.000 2.359 361 S HA -0.240 4.229 4.470 -0.001 0.000 0.224 361 S C 2.043 176.654 174.600 0.019 0.000 1.035 361 S CA 1.434 59.636 58.200 0.003 0.000 1.018 361 S CB -0.283 62.898 63.200 -0.031 0.000 0.876 361 S HN 0.349 nan 8.310 nan 0.000 0.448 362 K N 0.655 121.045 120.400 -0.017 0.000 2.063 362 K HA -0.138 4.181 4.320 -0.001 0.000 0.208 362 K C 1.952 178.566 176.600 0.022 0.000 1.048 362 K CA 1.685 57.969 56.287 -0.005 0.000 0.928 362 K CB -0.393 32.090 32.500 -0.028 0.000 0.713 362 K HN 0.313 nan 8.250 nan 0.000 0.442 363 T N 1.662 116.235 114.554 0.033 0.000 2.737 363 T HA -0.060 4.289 4.350 -0.001 0.000 0.265 363 T C 1.924 176.666 174.700 0.070 0.000 1.038 363 T CA 1.407 63.535 62.100 0.047 0.000 1.144 363 T CB -0.116 68.785 68.868 0.056 0.000 0.866 363 T HN 0.196 nan 8.240 nan 0.000 0.434 364 I N 1.081 121.711 120.570 0.100 0.000 2.226 364 I HA -0.186 3.984 4.170 -0.001 0.000 0.245 364 I C 2.805 178.979 176.117 0.095 0.000 1.100 364 I CA 1.037 62.413 61.300 0.126 0.000 1.374 364 I CB -0.471 37.639 38.000 0.183 0.000 1.057 364 I HN 0.244 nan 8.210 nan 0.000 0.413 365 S N 0.683 116.429 115.700 0.077 0.000 2.370 365 S HA -0.200 4.269 4.470 -0.001 0.000 0.226 365 S C 2.063 176.693 174.600 0.050 0.000 1.033 365 S CA 1.490 59.727 58.200 0.061 0.000 1.011 365 S CB -0.055 63.175 63.200 0.050 0.000 0.852 365 S HN 0.332 nan 8.310 nan 0.000 0.457 366 K N 0.047 120.473 120.400 0.043 0.000 2.021 366 K HA 0.112 4.431 4.320 -0.001 0.000 0.205 366 K C 1.566 178.185 176.600 0.032 0.000 1.047 366 K CA 0.915 57.222 56.287 0.033 0.000 0.943 366 K CB -0.037 32.478 32.500 0.025 0.000 0.725 366 K HN 0.271 nan 8.250 nan 0.000 0.439 367 K N -0.470 119.951 120.400 0.035 0.000 2.517 367 K HA 0.153 4.473 4.320 -0.001 0.000 0.210 367 K C -0.048 176.573 176.600 0.035 0.000 1.166 367 K CA 0.196 56.499 56.287 0.026 0.000 1.030 367 K CB 1.879 34.387 32.500 0.012 0.000 0.974 367 K HN 0.310 nan 8.250 nan 0.000 0.585 368 G N 1.484 110.323 108.800 0.065 0.000 2.757 368 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.638 368 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.638 368 G C 0.458 175.428 174.900 0.116 0.000 1.344 368 G CA -0.317 44.843 45.100 0.099 0.000 0.855 368 G HN 0.035 nan 8.290 nan 0.000 0.537 369 M N 0.041 119.750 119.600 0.182 0.000 2.229 369 M HA 0.060 4.540 4.480 -0.001 0.000 0.264 369 M C 2.670 179.055 176.300 0.141 0.000 1.063 369 M CA 1.404 56.863 55.300 0.265 0.000 1.114 369 M CB -0.324 32.582 32.600 0.511 0.000 1.387 369 M HN 0.477 nan 8.290 nan 0.000 0.420 370 L N -0.270 120.841 121.223 -0.186 0.000 2.131 370 L HA -0.200 4.139 4.340 -0.001 0.000 0.210 370 L C 2.431 179.265 176.870 -0.061 0.000 1.092 370 L CA 1.021 55.699 54.840 -0.270 0.000 0.759 370 L CB -0.644 41.146 42.059 -0.448 0.000 0.903 370 L HN 0.266 nan 8.230 nan 0.000 0.435 371 E N 0.190 120.374 120.200 -0.027 0.000 2.208 371 E HA -0.128 4.221 4.350 -0.001 0.000 0.193 371 E C 2.051 178.658 176.600 0.011 0.000 0.988 371 E CA 0.827 57.222 56.400 -0.009 0.000 0.828 371 E CB -0.057 29.642 29.700 -0.000 0.000 0.763 371 E HN 0.194 nan 8.360 nan 0.000 0.478 372 V N 0.442 120.397 119.914 0.068 0.000 2.287 372 V HA -0.264 3.856 4.120 -0.001 0.000 0.248 372 V C 2.123 178.204 176.094 -0.022 0.000 1.053 372 V CA 2.155 64.509 62.300 0.090 0.000 1.027 372 V CB -0.765 31.196 31.823 0.229 0.000 0.646 372 V HN 0.420 nan 8.190 nan 0.000 0.447 373 Y N 1.716 121.858 120.300 -0.262 0.000 2.163 373 Y HA -0.169 4.380 4.550 -0.001 0.000 0.288 373 Y C 2.485 178.219 175.900 -0.277 0.000 1.136 373 Y CA 1.877 59.652 58.100 -0.541 0.000 1.147 373 Y CB -0.342 37.729 38.460 -0.648 0.000 0.987 373 Y HN 0.273 nan 8.280 nan 0.000 0.509 374 N N 0.031 118.639 118.700 -0.153 0.000 2.364 374 N HA -0.153 4.586 4.740 -0.001 0.000 0.183 374 N C 1.870 177.268 175.510 -0.187 0.000 1.022 374 N CA 1.422 54.364 53.050 -0.179 0.000 0.883 374 N CB -0.575 37.875 38.487 -0.062 0.000 0.965 374 N HN 0.533 nan 8.380 nan 0.000 0.438 375 S N -0.308 115.304 115.700 -0.147 0.000 2.562 375 S HA 0.106 4.575 4.470 -0.001 0.000 0.221 375 S C 0.830 175.355 174.600 -0.125 0.000 0.975 375 S CA -0.203 57.935 58.200 -0.104 0.000 0.918 375 S CB -0.221 62.948 63.200 -0.052 0.000 0.772 375 S HN 0.105 nan 8.310 nan 0.000 0.531 376 L N 2.562 123.662 121.223 -0.207 0.000 2.439 376 L HA 0.361 4.701 4.340 -0.001 0.000 0.261 376 L C 1.166 177.927 176.870 -0.182 0.000 1.153 376 L CA -0.704 54.023 54.840 -0.188 0.000 0.808 376 L CB 0.659 42.568 42.059 -0.250 0.000 1.126 376 L HN 0.225 nan 8.230 nan 0.000 0.460 377 T N -2.640 111.839 114.554 -0.125 0.000 2.748 377 T HA 0.049 4.398 4.350 -0.001 0.000 0.304 377 T C 0.996 175.624 174.700 -0.119 0.000 1.041 377 T CA -0.684 61.354 62.100 -0.104 0.000 1.033 377 T CB 0.828 69.654 68.868 -0.071 0.000 0.995 377 T HN 0.523 nan 8.240 nan 0.000 0.536 378 E N 0.576 120.723 120.200 -0.089 0.000 2.118 378 E HA -0.131 4.218 4.350 -0.001 0.000 0.195 378 E C 2.155 178.731 176.600 -0.040 0.000 0.992 378 E CA 1.127 57.484 56.400 -0.070 0.000 0.804 378 E CB -0.239 29.435 29.700 -0.043 0.000 0.741 378 E HN 0.670 nan 8.360 nan 0.000 0.458 379 E N 0.099 120.280 120.200 -0.031 0.000 2.077 379 E HA -0.097 4.253 4.350 -0.001 0.000 0.193 379 E C 2.172 178.774 176.600 0.003 0.000 0.989 379 E CA 1.120 57.514 56.400 -0.009 0.000 0.800 379 E CB -0.551 29.138 29.700 -0.018 0.000 0.746 379 E HN 0.363 nan 8.360 nan 0.000 0.452 380 G N 1.578 110.362 108.800 -0.026 0.000 2.422 380 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.218 380 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.218 380 G C 1.613 176.538 174.900 0.042 0.000 1.146 380 G CA 0.821 45.918 45.100 -0.005 0.000 0.769 380 G HN 0.234 nan 8.290 nan 0.000 0.547 381 K N 0.490 120.853 120.400 -0.063 0.000 2.063 381 K HA -0.101 4.218 4.320 -0.001 0.000 0.208 381 K C 2.563 179.305 176.600 0.237 0.000 1.048 381 K CA 1.402 57.653 56.287 -0.061 0.000 0.928 381 K CB -0.145 32.178 32.500 -0.296 0.000 0.713 381 K HN 0.245 nan 8.250 nan 0.000 0.442 382 K N 0.636 121.131 120.400 0.158 0.000 2.057 382 K HA -0.141 4.178 4.320 -0.001 0.000 0.207 382 K C 2.048 178.783 176.600 0.224 0.000 1.049 382 K CA 1.158 57.553 56.287 0.180 0.000 0.931 382 K CB 0.019 32.589 32.500 0.117 0.000 0.714 382 K HN 0.097 nan 8.250 nan 0.000 0.440 383 E N 0.522 120.856 120.200 0.223 0.000 2.072 383 E HA -0.172 4.177 4.350 -0.001 0.000 0.191 383 E C 1.847 178.639 176.600 0.319 0.000 0.985 383 E CA 0.924 57.496 56.400 0.287 0.000 0.801 383 E CB -0.325 29.526 29.700 0.252 0.000 0.750 383 E HN 0.251 nan 8.360 nan 0.000 0.452 384 F N 2.873 122.925 119.950 0.170 0.000 2.069 384 F HA -0.218 4.308 4.527 -0.001 0.000 0.298 384 F C 1.822 177.699 175.800 0.128 0.000 1.113 384 F CA 1.540 59.636 58.000 0.159 0.000 1.214 384 F CB -0.254 38.891 39.000 0.243 0.000 0.978 384 F HN -0.036 nan 8.300 nan 0.000 0.474 385 N N 0.846 119.838 118.700 0.486 0.000 2.120 385 N HA -0.167 4.572 4.740 -0.001 0.000 0.188 385 N C 1.778 177.374 175.510 0.143 0.000 1.024 385 N CA 1.449 54.671 53.050 0.285 0.000 0.852 385 N CB -0.433 38.217 38.487 0.270 0.000 1.003 385 N HN 0.405 nan 8.380 nan 0.000 0.424 386 K N 0.828 121.323 120.400 0.157 0.000 2.032 386 K HA -0.064 4.255 4.320 -0.001 0.000 0.209 386 K C 2.084 178.710 176.600 0.044 0.000 1.048 386 K CA 1.456 57.833 56.287 0.149 0.000 0.927 386 K CB -0.191 32.458 32.500 0.248 0.000 0.712 386 K HN 0.144 nan 8.250 nan 0.000 0.441 387 A N 0.639 123.356 122.820 -0.173 0.000 1.877 387 A HA -0.203 4.117 4.320 -0.001 0.000 0.216 387 A C 2.094 179.486 177.584 -0.321 0.000 1.186 387 A CA 1.342 53.044 52.037 -0.559 0.000 0.620 387 A CB -0.782 17.544 19.000 -1.122 0.000 0.822 387 A HN 0.409 nan 8.150 nan 0.000 0.443 388 Y N 0.625 120.663 120.300 -0.436 0.000 2.145 388 Y HA -0.161 4.388 4.550 -0.001 0.000 0.286 388 Y C 2.954 178.735 175.900 -0.198 0.000 1.145 388 Y CA 1.760 59.621 58.100 -0.399 0.000 1.148 388 Y CB -0.518 37.617 38.460 -0.541 0.000 0.981 388 Y HN 0.320 nan 8.280 nan 0.000 0.507 389 S N -0.312 115.468 115.700 0.134 0.000 2.400 389 S HA -0.188 4.282 4.470 -0.001 0.000 0.232 389 S C 2.071 176.710 174.600 0.065 0.000 1.025 389 S CA 1.255 59.523 58.200 0.112 0.000 0.993 389 S CB -0.655 62.611 63.200 0.110 0.000 0.808 389 S HN 0.589 nan 8.310 nan 0.000 0.478 390 A N -0.259 122.586 122.820 0.042 0.000 2.030 390 A HA 0.256 4.575 4.320 -0.001 0.000 0.215 390 A C 2.204 179.810 177.584 0.036 0.000 1.164 390 A CA 1.160 53.243 52.037 0.076 0.000 0.697 390 A CB -0.298 18.777 19.000 0.126 0.000 0.827 390 A HN 0.526 nan 8.150 nan 0.000 0.457 391 S N -1.551 114.110 115.700 -0.065 0.000 2.497 391 S HA 0.122 4.591 4.470 -0.001 0.000 0.218 391 S C 1.396 175.908 174.600 -0.146 0.000 1.023 391 S CA 0.109 58.242 58.200 -0.111 0.000 0.913 391 S CB -0.374 62.717 63.200 -0.181 0.000 0.800 391 S HN 0.566 nan 8.310 nan 0.000 0.505 392 F N 2.044 121.747 119.950 -0.412 0.000 2.069 392 F HA -0.220 4.307 4.527 -0.001 0.000 0.298 392 F C 1.918 177.552 175.800 -0.278 0.000 1.113 392 F CA 1.700 59.389 58.000 -0.518 0.000 1.214 392 F CB -0.319 38.224 39.000 -0.762 0.000 0.978 392 F HN 0.141 nan 8.300 nan 0.000 0.474 393 Y N 0.050 120.419 120.300 0.114 0.000 2.184 393 Y HA -0.015 4.535 4.550 -0.001 0.000 0.290 393 Y C -0.409 175.473 175.900 -0.030 0.000 1.129 393 Y CA 0.758 58.888 58.100 0.050 0.000 1.144 393 Y CB -2.462 36.084 38.460 0.142 0.000 0.995 393 Y HN 0.105 nan 8.280 nan 0.000 0.513 394 P HA -0.186 nan 4.420 nan 0.000 0.215 394 P C 1.643 178.958 177.300 0.025 0.000 1.157 394 P CA 2.155 65.285 63.100 0.051 0.000 0.874 394 P CB -0.103 31.606 31.700 0.015 0.000 0.790 395 C N -1.431 117.869 119.300 0.001 0.000 2.432 395 C HA -0.107 4.353 4.460 -0.001 0.000 0.277 395 C C 2.745 177.767 174.990 0.053 0.000 1.249 395 C CA 0.860 59.932 59.018 0.090 0.000 1.725 395 C CB -1.592 26.120 27.740 -0.046 0.000 2.028 395 C HN 0.272 nan 8.230 nan 0.000 0.477 396 M N 0.917 120.444 119.600 -0.122 0.000 2.108 396 M HA -0.176 4.303 4.480 -0.001 0.000 0.261 396 M C 1.964 178.321 176.300 0.095 0.000 1.066 396 M CA 2.117 57.364 55.300 -0.088 0.000 1.107 396 M CB -0.501 31.971 32.600 -0.214 0.000 1.356 396 M HN 0.340 nan 8.290 nan 0.000 0.406 397 D N 0.581 121.041 120.400 0.100 0.000 2.106 397 D HA -0.198 4.441 4.640 -0.001 0.000 0.191 397 D C 1.787 178.127 176.300 0.068 0.000 0.997 397 D CA 1.675 55.738 54.000 0.105 0.000 0.834 397 D CB -0.134 40.697 40.800 0.053 0.000 0.956 397 D HN 0.368 nan 8.370 nan 0.000 0.448 398 I N 0.458 121.014 120.570 -0.023 0.000 2.286 398 I HA -0.166 4.003 4.170 -0.001 0.000 0.245 398 I C 2.685 178.811 176.117 0.015 0.000 1.104 398 I CA 0.501 61.721 61.300 -0.132 0.000 1.397 398 I CB -1.204 36.369 38.000 -0.712 0.000 1.072 398 I HN 0.124 nan 8.210 nan 0.000 0.417 399 L N -0.407 120.924 121.223 0.180 0.000 2.012 399 L HA -0.284 4.055 4.340 -0.001 0.000 0.210 399 L C 2.735 179.831 176.870 0.376 0.000 1.073 399 L CA 1.508 56.583 54.840 0.392 0.000 0.748 399 L CB -0.918 41.375 42.059 0.390 0.000 0.891 399 L HN 0.165 nan 8.230 nan 0.000 0.431 400 Y N 1.106 121.456 120.300 0.082 0.000 2.128 400 Y HA -0.313 4.236 4.550 -0.001 0.000 0.284 400 Y C 2.573 178.499 175.900 0.044 0.000 1.154 400 Y CA 1.920 60.028 58.100 0.014 0.000 1.149 400 Y CB -0.539 37.914 38.460 -0.011 0.000 0.976 400 Y HN 0.339 nan 8.280 nan 0.000 0.505 401 E N -0.939 119.321 120.200 0.101 0.000 2.038 401 E HA -0.268 4.081 4.350 -0.001 0.000 0.195 401 E C 2.549 179.185 176.600 0.061 0.000 1.000 401 E CA 1.783 58.209 56.400 0.044 0.000 0.803 401 E CB -0.650 29.117 29.700 0.112 0.000 0.750 401 E HN 0.503 nan 8.360 nan 0.000 0.448 402 C N 0.114 119.354 119.300 -0.100 0.000 2.432 402 C HA -0.175 4.284 4.460 -0.001 0.000 0.277 402 C C 2.595 177.532 174.990 -0.088 0.000 1.249 402 C CA 1.198 59.919 59.018 -0.494 0.000 1.725 402 C CB -1.421 25.788 27.740 -0.886 0.000 2.028 402 C HN 0.693 nan 8.230 nan 0.000 0.477 403 Y N 1.702 121.977 120.300 -0.042 0.000 2.128 403 Y HA -0.164 4.386 4.550 -0.001 0.000 0.284 403 Y C 2.448 178.287 175.900 -0.103 0.000 1.154 403 Y CA 2.459 60.414 58.100 -0.243 0.000 1.149 403 Y CB -0.523 37.570 38.460 -0.612 0.000 0.976 403 Y HN 0.461 nan 8.280 nan 0.000 0.505 404 E N -0.460 119.851 120.200 0.184 0.000 2.110 404 E HA -0.206 4.143 4.350 -0.001 0.000 0.193 404 E C 1.675 178.293 176.600 0.030 0.000 0.988 404 E CA 1.201 57.677 56.400 0.127 0.000 0.804 404 E CB -0.149 29.607 29.700 0.093 0.000 0.745 404 E HN 0.565 nan 8.360 nan 0.000 0.458 405 D N 0.342 120.763 120.400 0.036 0.000 2.144 405 D HA -0.109 4.530 4.640 -0.001 0.000 0.200 405 D C 2.091 178.405 176.300 0.024 0.000 0.978 405 D CA 0.642 54.680 54.000 0.064 0.000 0.833 405 D CB -0.130 40.776 40.800 0.177 0.000 0.961 405 D HN 0.011 nan 8.370 nan 0.000 0.470 406 V N 1.414 121.299 119.914 -0.049 0.000 2.295 406 V HA -0.222 3.898 4.120 -0.001 0.000 0.246 406 V C 2.522 178.581 176.094 -0.058 0.000 1.049 406 V CA 1.862 64.127 62.300 -0.059 0.000 1.024 406 V CB -0.805 30.942 31.823 -0.127 0.000 0.648 406 V HN 0.185 nan 8.190 nan 0.000 0.447 407 A N 0.562 123.271 122.820 -0.185 0.000 1.969 407 A HA -0.163 4.157 4.320 -0.001 0.000 0.218 407 A C 2.468 180.053 177.584 0.002 0.000 1.169 407 A CA 1.974 53.943 52.037 -0.113 0.000 0.635 407 A CB -0.587 18.343 19.000 -0.116 0.000 0.810 407 A HN 0.683 nan 8.150 nan 0.000 0.445 408 S N -2.320 113.383 115.700 0.005 0.000 2.489 408 S HA 0.349 4.819 4.470 -0.001 0.000 0.228 408 S C 1.531 176.135 174.600 0.007 0.000 0.995 408 S CA 1.245 59.454 58.200 0.014 0.000 0.934 408 S CB -0.063 63.147 63.200 0.017 0.000 0.771 408 S HN 1.833 nan 8.310 nan 0.000 0.522 409 G N 0.305 109.108 108.800 0.005 0.000 2.259 409 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.217 409 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.217 409 G C 1.124 176.019 174.900 -0.007 0.000 1.001 409 G CA 0.398 45.484 45.100 -0.023 0.000 0.627 409 G HN 0.506 nan 8.290 nan 0.000 0.501 410 S N 0.421 116.132 115.700 0.019 0.000 2.356 410 S HA -0.053 4.416 4.470 -0.001 0.000 0.223 410 S C 1.913 176.552 174.600 0.063 0.000 1.032 410 S CA 2.062 60.284 58.200 0.038 0.000 1.005 410 S CB -0.123 63.110 63.200 0.054 0.000 0.867 410 S HN 0.603 nan 8.310 nan 0.000 0.449 411 E N 1.174 121.425 120.200 0.086 0.000 2.076 411 E HA 0.058 4.407 4.350 -0.001 0.000 0.190 411 E C 1.819 178.486 176.600 0.112 0.000 0.979 411 E CA 0.798 57.280 56.400 0.138 0.000 0.807 411 E CB -0.292 29.506 29.700 0.164 0.000 0.761 411 E HN 0.501 nan 8.360 nan 0.000 0.454 412 I N 0.231 120.831 120.570 0.051 0.000 2.286 412 I HA -0.227 3.942 4.170 -0.001 0.000 0.248 412 I C 2.449 178.592 176.117 0.044 0.000 1.115 412 I CA 0.938 62.246 61.300 0.014 0.000 1.392 412 I CB -0.203 37.671 38.000 -0.210 0.000 1.065 412 I HN 0.073 nan 8.210 nan 0.000 0.418 413 R N 1.201 121.716 120.500 0.025 0.000 2.091 413 R HA -0.133 4.206 4.340 -0.001 0.000 0.238 413 R C 2.305 178.636 176.300 0.053 0.000 1.136 413 R CA 1.994 58.120 56.100 0.044 0.000 0.959 413 R CB -0.805 29.506 30.300 0.018 0.000 0.856 413 R HN 0.159 nan 8.270 nan 0.000 0.437 414 S N -0.538 115.195 115.700 0.056 0.000 2.370 414 S HA -0.125 4.344 4.470 -0.001 0.000 0.226 414 S C 1.912 176.541 174.600 0.048 0.000 1.033 414 S CA 1.451 59.680 58.200 0.048 0.000 1.011 414 S CB -0.330 62.911 63.200 0.069 0.000 0.852 414 S HN 0.175 nan 8.310 nan 0.000 0.457 415 V N 1.274 121.246 119.914 0.096 0.000 2.343 415 V HA -0.133 3.987 4.120 -0.001 0.000 0.247 415 V C 2.292 178.417 176.094 0.053 0.000 1.051 415 V CA 1.423 63.785 62.300 0.103 0.000 1.036 415 V CB -0.675 31.278 31.823 0.217 0.000 0.654 415 V HN 0.337 nan 8.190 nan 0.000 0.451 416 V N -0.188 119.788 119.914 0.102 0.000 2.343 416 V HA -0.249 3.870 4.120 -0.001 0.000 0.247 416 V C 2.281 178.363 176.094 -0.020 0.000 1.051 416 V CA 1.930 64.265 62.300 0.058 0.000 1.036 416 V CB -0.519 31.350 31.823 0.077 0.000 0.654 416 V HN 0.443 nan 8.190 nan 0.000 0.451 417 L N -0.037 121.178 121.223 -0.014 0.000 2.093 417 L HA -0.122 4.217 4.340 -0.001 0.000 0.208 417 L C 2.767 179.565 176.870 -0.121 0.000 1.085 417 L CA 1.419 56.234 54.840 -0.043 0.000 0.755 417 L CB -0.889 41.158 42.059 -0.020 0.000 0.904 417 L HN 0.368 nan 8.230 nan 0.000 0.435 418 A N 0.671 123.400 122.820 -0.152 0.000 1.908 418 A HA -0.165 4.154 4.320 -0.001 0.000 0.218 418 A C 2.409 179.577 177.584 -0.693 0.000 1.181 418 A CA 1.869 53.741 52.037 -0.275 0.000 0.627 418 A CB -1.275 17.622 19.000 -0.171 0.000 0.818 418 A HN 0.444 nan 8.150 nan 0.000 0.445 419 G N -0.698 107.704 108.800 -0.663 0.000 2.432 419 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.219 419 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.219 419 G C 1.718 176.271 174.900 -0.578 0.000 1.135 419 G CA 0.913 45.449 45.100 -0.941 0.000 0.767 419 G HN 0.600 nan 8.290 nan 0.000 0.550 420 R N -0.281 120.071 120.500 -0.246 0.000 2.193 420 R HA 0.151 4.490 4.340 -0.001 0.000 0.213 420 R C 2.384 178.699 176.300 0.026 0.000 1.055 420 R CA 0.266 56.363 56.100 -0.005 0.000 0.995 420 R CB -0.053 30.257 30.300 0.017 0.000 0.893 420 R HN 0.225 nan 8.270 nan 0.000 0.459 421 R N -0.191 120.246 120.500 -0.104 0.000 2.313 421 R HA 0.027 4.367 4.340 -0.001 0.000 0.199 421 R C 0.712 177.098 176.300 0.142 0.000 0.958 421 R CA 0.345 56.470 56.100 0.041 0.000 1.047 421 R CB 0.100 30.423 30.300 0.038 0.000 0.955 421 R HN 0.124 nan 8.270 nan 0.000 0.481 422 F N -0.318 119.556 119.950 -0.126 0.000 2.546 422 F HA 0.015 4.542 4.527 -0.001 0.000 0.298 422 F C 0.377 175.786 175.800 -0.651 0.000 1.120 422 F CA 0.035 57.780 58.000 -0.424 0.000 1.456 422 F CB -0.476 38.111 39.000 -0.689 0.000 1.088 422 F HN -0.113 nan 8.300 nan 0.000 0.572 423 Y N -1.046 119.369 120.300 0.193 0.000 2.570 423 Y HA 0.381 4.930 4.550 -0.001 0.000 0.345 423 Y C 0.392 176.332 175.900 0.067 0.000 1.014 423 Y CA -1.801 56.358 58.100 0.098 0.000 1.063 423 Y CB 0.793 39.300 38.460 0.078 0.000 1.272 423 Y HN -0.229 nan 8.280 nan 0.000 0.477 424 E N 2.841 123.159 120.200 0.196 0.000 2.376 424 E HA 0.177 4.526 4.350 -0.001 0.000 0.266 424 E C -0.798 175.871 176.600 0.115 0.000 1.009 424 E CA -0.006 56.461 56.400 0.111 0.000 0.902 424 E CB 0.511 30.250 29.700 0.065 0.000 0.972 424 E HN 0.484 nan 8.360 nan 0.000 0.439 425 K N 1.009 121.469 120.400 0.099 0.000 2.556 425 K HA 0.286 4.605 4.320 -0.001 0.000 0.274 425 K C -0.565 176.075 176.600 0.065 0.000 0.966 425 K CA -0.907 55.426 56.287 0.076 0.000 0.865 425 K CB 1.395 33.943 32.500 0.081 0.000 1.444 425 K HN 0.346 nan 8.250 nan 0.000 0.433 426 E N -0.110 120.118 120.200 0.047 0.000 2.722 426 E HA -0.282 4.067 4.350 -0.001 0.000 0.265 426 E C 0.556 177.181 176.600 0.041 0.000 1.081 426 E CA 0.816 57.240 56.400 0.040 0.000 0.781 426 E CB -1.809 27.916 29.700 0.040 0.000 1.372 426 E HN 1.158 nan 8.360 nan 0.000 0.423 427 G N -0.566 108.258 108.800 0.040 0.000 2.162 427 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.260 427 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.260 427 G C 0.215 175.144 174.900 0.049 0.000 0.976 427 G CA 0.730 45.852 45.100 0.037 0.000 0.655 427 G HN 0.263 nan 8.290 nan 0.000 0.533 428 L N 0.525 121.790 121.223 0.070 0.000 2.352 428 L HA 0.586 4.926 4.340 -0.001 0.000 0.269 428 L C -1.714 175.206 176.870 0.083 0.000 1.034 428 L CA -2.535 52.369 54.840 0.106 0.000 0.806 428 L CB 1.413 43.569 42.059 0.160 0.000 1.244 428 L HN -0.128 nan 8.230 nan 0.000 0.447 429 P HA 0.152 nan 4.420 nan 0.000 0.273 429 P C -1.119 176.036 177.300 -0.242 0.000 1.250 429 P CA -0.445 62.550 63.100 -0.175 0.000 0.793 429 P CB 0.544 31.997 31.700 -0.412 0.000 1.011 430 A N 0.918 123.554 122.820 -0.306 0.000 2.354 430 A HA 0.506 4.826 4.320 -0.001 0.000 0.269 430 A C -0.772 176.511 177.584 -0.501 0.000 1.109 430 A CA -0.104 51.808 52.037 -0.208 0.000 0.800 430 A CB -0.516 18.421 19.000 -0.105 0.000 1.045 430 A HN 0.434 nan 8.150 nan 0.000 0.489 431 F N 3.134 123.109 119.950 0.041 0.000 2.523 431 F HA 0.277 4.803 4.527 -0.001 0.000 0.322 431 F C -1.992 173.847 175.800 0.064 0.000 1.361 431 F CA -1.784 56.243 58.000 0.046 0.000 1.151 431 F CB 1.092 40.130 39.000 0.063 0.000 1.391 431 F HN 0.373 nan 8.300 nan 0.000 0.566 432 P HA 0.077 nan 4.420 nan 0.000 0.270 432 P C 0.049 177.201 177.300 -0.247 0.000 1.223 432 P CA -0.209 62.673 63.100 -0.362 0.000 0.785 432 P CB 0.949 32.416 31.700 -0.389 0.000 0.923 433 M N 0.735 120.079 119.600 -0.427 0.000 2.249 433 M HA 0.215 4.695 4.480 -0.001 0.000 0.340 433 M C 1.240 177.454 176.300 -0.144 0.000 1.166 433 M CA 0.591 55.776 55.300 -0.192 0.000 1.115 433 M CB 0.085 32.560 32.600 -0.208 0.000 1.606 433 M HN 0.461 nan 8.290 nan 0.000 0.448 434 G N 1.743 110.501 108.800 -0.069 0.000 2.557 434 G HA2 0.413 4.372 3.960 -0.001 0.000 0.302 434 G HA3 0.413 4.372 3.960 -0.001 0.000 0.302 434 G C -0.575 174.284 174.900 -0.068 0.000 1.311 434 G CA -0.797 44.269 45.100 -0.058 0.000 1.030 434 G HN 0.674 nan 8.290 nan 0.000 0.509 435 N N -0.482 118.183 118.700 -0.059 0.000 2.492 435 N HA 0.272 5.012 4.740 -0.001 0.000 0.289 435 N C 1.164 176.643 175.510 -0.051 0.000 1.133 435 N CA -0.605 52.401 53.050 -0.074 0.000 0.961 435 N CB 2.001 40.446 38.487 -0.070 0.000 1.186 435 N HN 0.508 nan 8.380 nan 0.000 0.493 436 I N -1.858 118.653 120.570 -0.098 0.000 3.783 436 I HA 0.147 4.316 4.170 -0.001 0.000 0.310 436 I C 0.949 177.034 176.117 -0.054 0.000 1.274 436 I CA 0.275 61.532 61.300 -0.072 0.000 1.294 436 I CB 0.001 37.904 38.000 -0.162 0.000 1.051 436 I HN 0.246 nan 8.210 nan 0.000 0.435 437 D N 0.589 120.933 120.400 -0.093 0.000 2.371 437 D HA -0.148 4.491 4.640 -0.001 0.000 0.234 437 D C 1.455 177.830 176.300 0.125 0.000 1.049 437 D CA 0.620 54.600 54.000 -0.033 0.000 0.907 437 D CB -0.155 40.606 40.800 -0.065 0.000 0.891 437 D HN 0.435 nan 8.370 nan 0.000 0.531 438 Q N 0.037 119.909 119.800 0.119 0.000 2.217 438 Q HA 0.109 4.448 4.340 -0.001 0.000 0.217 438 Q C 0.577 176.653 176.000 0.126 0.000 0.844 438 Q CA 0.181 56.047 55.803 0.106 0.000 0.957 438 Q CB 0.924 29.699 28.738 0.061 0.000 1.127 438 Q HN 0.503 nan 8.270 nan 0.000 0.503 439 T N -2.955 111.718 114.554 0.198 0.000 2.770 439 T HA 0.295 4.644 4.350 -0.001 0.000 0.281 439 T C 1.237 175.987 174.700 0.082 0.000 0.981 439 T CA -0.640 61.556 62.100 0.159 0.000 0.955 439 T CB 1.783 70.776 68.868 0.209 0.000 1.060 439 T HN 0.047 nan 8.240 nan 0.000 0.531 440 R N 0.192 120.708 120.500 0.027 0.000 2.115 440 R HA -0.199 4.141 4.340 -0.001 0.000 0.239 440 R C 2.538 178.712 176.300 -0.209 0.000 1.133 440 R CA 2.547 58.636 56.100 -0.018 0.000 0.935 440 R CB -0.612 29.733 30.300 0.075 0.000 0.853 440 R HN 0.912 nan 8.270 nan 0.000 0.433 441 M N -1.658 117.594 119.600 -0.579 0.000 2.319 441 M HA -0.058 4.422 4.480 -0.001 0.000 0.265 441 M C 1.187 176.962 176.300 -0.876 0.000 1.068 441 M CA 1.412 56.004 55.300 -1.179 0.000 1.118 441 M CB -0.272 31.105 32.600 -2.038 0.000 1.395 441 M HN 0.161 nan 8.290 nan 0.000 0.435 442 W N 1.498 122.708 121.300 -0.150 0.000 2.576 442 W HA 0.136 4.795 4.660 -0.001 0.000 0.270 442 W C 2.269 178.707 176.519 -0.136 0.000 1.255 442 W CA -0.088 57.197 57.345 -0.101 0.000 1.314 442 W CB -0.110 29.321 29.460 -0.048 0.000 1.101 442 W HN 0.057 nan 8.180 nan 0.000 0.595 443 K N 0.460 120.874 120.400 0.022 0.000 2.057 443 K HA -0.120 4.199 4.320 -0.001 0.000 0.207 443 K C 1.795 178.332 176.600 -0.105 0.000 1.049 443 K CA 1.313 57.589 56.287 -0.019 0.000 0.931 443 K CB -0.971 31.528 32.500 -0.001 0.000 0.714 443 K HN 0.134 nan 8.250 nan 0.000 0.440 444 V N 0.942 120.751 119.914 -0.176 0.000 2.343 444 V HA -0.177 3.942 4.120 -0.001 0.000 0.247 444 V C 2.494 178.310 176.094 -0.462 0.000 1.051 444 V CA 2.160 64.331 62.300 -0.216 0.000 1.036 444 V CB -1.077 30.686 31.823 -0.101 0.000 0.654 444 V HN 0.436 nan 8.190 nan 0.000 0.451 445 G N -0.694 107.637 108.800 -0.782 0.000 2.442 445 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.219 445 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.219 445 G C 1.457 176.067 174.900 -0.483 0.000 1.141 445 G CA 0.863 45.211 45.100 -1.254 0.000 0.763 445 G HN 0.567 nan 8.290 nan 0.000 0.554 446 E N 0.292 120.354 120.200 -0.230 0.000 2.058 446 E HA -0.125 4.224 4.350 -0.001 0.000 0.194 446 E C 2.547 179.074 176.600 -0.122 0.000 0.997 446 E CA 0.992 57.322 56.400 -0.117 0.000 0.801 446 E CB -0.099 29.567 29.700 -0.057 0.000 0.746 446 E HN 0.372 nan 8.360 nan 0.000 0.450 447 K N 0.447 120.767 120.400 -0.133 0.000 2.009 447 K HA -0.153 4.167 4.320 -0.001 0.000 0.210 447 K C 2.263 178.803 176.600 -0.100 0.000 1.049 447 K CA 1.346 57.574 56.287 -0.097 0.000 0.929 447 K CB -0.287 32.164 32.500 -0.080 0.000 0.714 447 K HN -0.014 nan 8.250 nan 0.000 0.440 448 V N 1.492 121.314 119.914 -0.154 0.000 2.252 448 V HA -0.303 3.817 4.120 -0.001 0.000 0.249 448 V C 2.320 178.377 176.094 -0.061 0.000 1.056 448 V CA 1.840 64.083 62.300 -0.096 0.000 1.022 448 V CB -0.502 31.258 31.823 -0.107 0.000 0.641 448 V HN 0.319 nan 8.190 nan 0.000 0.445 449 R N 0.448 120.894 120.500 -0.090 0.000 2.115 449 R HA -0.120 4.219 4.340 -0.001 0.000 0.230 449 R C 2.550 178.814 176.300 -0.060 0.000 1.111 449 R CA 1.582 57.641 56.100 -0.068 0.000 0.976 449 R CB -0.460 29.792 30.300 -0.079 0.000 0.870 449 R HN 0.726 nan 8.270 nan 0.000 0.445 450 S N -0.242 115.422 115.700 -0.060 0.000 2.447 450 S HA -0.090 4.380 4.470 -0.001 0.000 0.233 450 S C 1.754 176.335 174.600 -0.033 0.000 1.006 450 S CA 1.393 59.565 58.200 -0.046 0.000 0.957 450 S CB -0.098 63.076 63.200 -0.044 0.000 0.773 450 S HN 0.400 nan 8.310 nan 0.000 0.507 451 T N -1.703 112.834 114.554 -0.029 0.000 3.044 451 T HA 0.320 4.669 4.350 -0.001 0.000 0.260 451 T C 0.476 175.171 174.700 -0.008 0.000 1.019 451 T CA -0.623 61.467 62.100 -0.016 0.000 0.921 451 T CB -0.240 68.621 68.868 -0.012 0.000 1.053 451 T HN 0.324 nan 8.240 nan 0.000 0.533 452 R N 2.803 123.296 120.500 -0.012 0.000 2.449 452 R HA 0.291 4.631 4.340 -0.001 0.000 0.296 452 R C -2.377 173.924 176.300 0.003 0.000 1.047 452 R CA -1.281 54.819 56.100 -0.001 0.000 1.018 452 R CB -0.106 30.186 30.300 -0.013 0.000 0.962 452 R HN 0.160 nan 8.270 nan 0.000 0.428 453 P HA -0.043 nan 4.420 nan 0.000 0.269 453 P C -0.874 176.438 177.300 0.020 0.000 1.217 453 P CA -0.017 63.092 63.100 0.016 0.000 0.783 453 P CB 0.478 32.191 31.700 0.022 0.000 0.898 454 E N 1.852 122.061 120.200 0.016 0.000 2.465 454 E HA -0.074 4.276 4.350 -0.001 0.000 0.260 454 E C 0.329 176.949 176.600 0.033 0.000 0.980 454 E CA 0.535 56.947 56.400 0.019 0.000 0.927 454 E CB -0.397 29.311 29.700 0.013 0.000 0.934 454 E HN 0.428 nan 8.360 nan 0.000 0.459 455 N N 1.098 119.826 118.700 0.046 0.000 2.708 455 N HA -0.201 4.538 4.740 -0.001 0.000 0.251 455 N C -0.422 175.135 175.510 0.078 0.000 1.123 455 N CA 0.931 54.017 53.050 0.060 0.000 0.739 455 N CB -0.543 37.967 38.487 0.039 0.000 1.113 455 N HN 0.479 nan 8.380 nan 0.000 0.561 456 D N 0.603 121.060 120.400 0.096 0.000 2.417 456 D HA 0.053 4.692 4.640 -0.001 0.000 0.250 456 D C 0.799 177.221 176.300 0.203 0.000 1.166 456 D CA 0.330 54.398 54.000 0.115 0.000 0.881 456 D CB 0.646 41.504 40.800 0.097 0.000 1.164 456 D HN 0.300 nan 8.370 nan 0.000 0.467 457 L N 3.026 124.323 121.223 0.124 0.000 2.693 457 L HA 0.267 4.607 4.340 -0.001 0.000 0.235 457 L C 1.313 178.240 176.870 0.094 0.000 1.127 457 L CA 0.113 54.984 54.840 0.051 0.000 0.914 457 L CB -0.027 42.006 42.059 -0.043 0.000 1.193 457 L HN 0.677 nan 8.230 nan 0.000 0.502 458 G N 1.318 110.197 108.800 0.131 0.000 2.757 458 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.638 458 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.638 458 G C -2.949 172.001 174.900 0.084 0.000 1.344 458 G CA -0.927 44.247 45.100 0.124 0.000 0.855 458 G HN -0.018 nan 8.290 nan 0.000 0.537 459 P HA 0.483 nan 4.420 nan 0.000 0.286 459 P C -0.300 177.057 177.300 0.096 0.000 1.261 459 P CA -0.612 62.537 63.100 0.081 0.000 0.821 459 P CB 1.396 33.150 31.700 0.090 0.000 1.013 460 L N 3.436 124.709 121.223 0.083 0.000 2.288 460 L HA 0.233 4.573 4.340 -0.001 0.000 0.283 460 L C 0.521 177.472 176.870 0.135 0.000 1.072 460 L CA -0.583 54.321 54.840 0.106 0.000 0.862 460 L CB -0.342 41.764 42.059 0.077 0.000 1.245 460 L HN 0.478 nan 8.230 nan 0.000 0.432 461 H N 6.628 125.757 119.070 0.098 0.000 2.668 461 H HA 0.227 4.782 4.556 -0.001 0.000 0.303 461 H C -1.897 173.541 175.328 0.183 0.000 1.074 461 H CA -1.817 54.297 56.048 0.110 0.000 1.406 461 H CB 1.840 31.668 29.762 0.111 0.000 1.442 461 H HN 0.454 nan 8.280 nan 0.000 0.482 462 P HA -0.186 nan 4.420 nan 0.000 0.217 462 P C 1.531 179.079 177.300 0.413 0.000 1.150 462 P CA 0.869 64.134 63.100 0.275 0.000 0.832 462 P CB 0.023 31.815 31.700 0.153 0.000 0.787 463 F N 1.171 121.360 119.950 0.398 0.000 2.113 463 F HA -0.131 4.395 4.527 -0.001 0.000 0.297 463 F C 2.260 178.254 175.800 0.323 0.000 1.103 463 F CA 1.868 60.090 58.000 0.370 0.000 1.248 463 F CB -1.008 38.267 39.000 0.460 0.000 0.999 463 F HN -0.137 nan 8.300 nan 0.000 0.475 464 T N 0.410 115.325 114.554 0.601 0.000 2.684 464 T HA -0.235 4.115 4.350 -0.001 0.000 0.267 464 T C 2.180 177.010 174.700 0.216 0.000 1.036 464 T CA 1.458 63.763 62.100 0.341 0.000 1.148 464 T CB -0.845 68.206 68.868 0.306 0.000 0.863 464 T HN 0.360 nan 8.240 nan 0.000 0.436 465 A N 1.332 124.313 122.820 0.268 0.000 1.902 465 A HA 0.082 4.401 4.320 -0.001 0.000 0.217 465 A C 2.641 180.263 177.584 0.064 0.000 1.181 465 A CA 1.925 54.140 52.037 0.297 0.000 0.623 465 A CB -1.361 17.916 19.000 0.463 0.000 0.818 465 A HN 0.523 nan 8.150 nan 0.000 0.443 466 G N -0.689 107.917 108.800 -0.323 0.000 2.422 466 G HA2 -0.079 3.880 3.960 -0.001 0.000 0.218 466 G HA3 -0.079 3.880 3.960 -0.001 0.000 0.218 466 G C 1.492 176.065 174.900 -0.546 0.000 1.146 466 G CA 1.237 45.714 45.100 -1.037 0.000 0.769 466 G HN 0.327 nan 8.290 nan 0.000 0.547 467 V N -0.251 119.463 119.914 -0.333 0.000 2.307 467 V HA -0.169 3.950 4.120 -0.001 0.000 0.245 467 V C 2.268 178.292 176.094 -0.116 0.000 1.045 467 V CA 1.704 63.873 62.300 -0.219 0.000 1.024 467 V CB -0.723 31.053 31.823 -0.079 0.000 0.651 467 V HN 0.454 nan 8.190 nan 0.000 0.449 468 Y N 0.769 121.002 120.300 -0.111 0.000 2.181 468 Y HA -0.199 4.350 4.550 -0.001 0.000 0.288 468 Y C 2.378 178.253 175.900 -0.043 0.000 1.146 468 Y CA 1.809 59.877 58.100 -0.054 0.000 1.164 468 Y CB -0.274 38.196 38.460 0.016 0.000 0.982 468 Y HN 0.037 nan 8.280 nan 0.000 0.515 469 V N 0.321 120.253 119.914 0.030 0.000 2.427 469 V HA -0.303 3.817 4.120 -0.001 0.000 0.248 469 V C 2.644 178.686 176.094 -0.087 0.000 1.051 469 V CA 1.629 63.957 62.300 0.047 0.000 1.048 469 V CB -1.555 30.444 31.823 0.294 0.000 0.666 469 V HN 0.555 nan 8.190 nan 0.000 0.456 470 A N 0.052 122.672 122.820 -0.334 0.000 1.902 470 A HA -0.210 4.109 4.320 -0.001 0.000 0.217 470 A C 2.172 179.521 177.584 -0.392 0.000 1.181 470 A CA 2.117 53.753 52.037 -0.668 0.000 0.623 470 A CB -0.585 17.899 19.000 -0.860 0.000 0.818 470 A HN 0.456 nan 8.150 nan 0.000 0.443 471 L N -0.708 120.302 121.223 -0.355 0.000 2.012 471 L HA -0.160 4.179 4.340 -0.001 0.000 0.210 471 L C 2.501 179.175 176.870 -0.326 0.000 1.073 471 L CA 2.672 57.304 54.840 -0.347 0.000 0.748 471 L CB -0.502 41.334 42.059 -0.373 0.000 0.891 471 L HN 0.535 nan 8.230 nan 0.000 0.431 472 M N -1.748 117.643 119.600 -0.348 0.000 2.086 472 M HA -0.244 4.235 4.480 -0.001 0.000 0.261 472 M C 2.035 178.296 176.300 -0.065 0.000 1.067 472 M CA 1.864 57.025 55.300 -0.232 0.000 1.116 472 M CB -0.033 32.440 32.600 -0.211 0.000 1.348 472 M HN 0.288 nan 8.290 nan 0.000 0.407 473 M N -0.138 119.487 119.600 0.042 0.000 2.229 473 M HA -0.066 4.414 4.480 -0.001 0.000 0.264 473 M C 2.368 178.736 176.300 0.113 0.000 1.063 473 M CA 1.624 57.052 55.300 0.214 0.000 1.114 473 M CB -1.573 31.332 32.600 0.508 0.000 1.387 473 M HN 0.471 nan 8.290 nan 0.000 0.420 474 A N -0.385 122.315 122.820 -0.200 0.000 1.930 474 A HA -0.202 4.118 4.320 -0.001 0.000 0.217 474 A C 2.136 179.592 177.584 -0.214 0.000 1.175 474 A CA 1.697 53.415 52.037 -0.531 0.000 0.627 474 A CB -0.694 17.803 19.000 -0.838 0.000 0.815 474 A HN 0.577 nan 8.150 nan 0.000 0.443 475 Q N -0.244 119.484 119.800 -0.120 0.000 2.079 475 Q HA -0.128 4.211 4.340 -0.001 0.000 0.200 475 Q C 1.887 177.887 176.000 0.000 0.000 0.974 475 Q CA 1.674 57.486 55.803 0.015 0.000 0.840 475 Q CB -0.299 28.420 28.738 -0.031 0.000 0.898 475 Q HN 0.674 nan 8.270 nan 0.000 0.430 476 I N 0.775 121.330 120.570 -0.025 0.000 2.151 476 I HA -0.304 3.866 4.170 -0.001 0.000 0.243 476 I C 2.417 178.487 176.117 -0.079 0.000 1.080 476 I CA 1.662 62.940 61.300 -0.037 0.000 1.339 476 I CB -0.266 37.743 38.000 0.015 0.000 1.039 476 I HN 0.333 nan 8.210 nan 0.000 0.409 477 E N 0.714 120.888 120.200 -0.043 0.000 2.106 477 E HA -0.149 4.201 4.350 -0.001 0.000 0.192 477 E C 2.083 178.577 176.600 -0.176 0.000 0.984 477 E CA 1.260 57.625 56.400 -0.059 0.000 0.806 477 E CB -0.146 29.595 29.700 0.067 0.000 0.750 477 E HN 0.266 nan 8.360 nan 0.000 0.458 478 V N 0.686 120.470 119.914 -0.215 0.000 2.295 478 V HA -0.253 3.867 4.120 -0.001 0.000 0.246 478 V C 2.469 178.271 176.094 -0.486 0.000 1.049 478 V CA 1.801 63.880 62.300 -0.368 0.000 1.024 478 V CB -0.509 31.128 31.823 -0.308 0.000 0.648 478 V HN 0.313 nan 8.190 nan 0.000 0.447 479 L N -0.605 120.379 121.223 -0.398 0.000 2.083 479 L HA -0.197 4.142 4.340 -0.001 0.000 0.209 479 L C 2.707 179.415 176.870 -0.271 0.000 1.083 479 L CA 1.746 56.331 54.840 -0.426 0.000 0.752 479 L CB -0.551 41.306 42.059 -0.337 0.000 0.899 479 L HN 0.246 nan 8.230 nan 0.000 0.433 480 R N 0.224 120.559 120.500 -0.275 0.000 2.070 480 R HA -0.146 4.193 4.340 -0.001 0.000 0.233 480 R C 2.259 178.411 176.300 -0.246 0.000 1.137 480 R CA 1.297 57.223 56.100 -0.291 0.000 0.945 480 R CB 0.056 30.189 30.300 -0.280 0.000 0.845 480 R HN 0.069 nan 8.270 nan 0.000 0.430 481 K N 0.408 120.659 120.400 -0.248 0.000 2.365 481 K HA -0.045 4.274 4.320 -0.001 0.000 0.199 481 K C 1.302 177.750 176.600 -0.253 0.000 1.045 481 K CA 0.809 56.958 56.287 -0.230 0.000 0.962 481 K CB 0.215 32.569 32.500 -0.244 0.000 0.759 481 K HN 0.116 nan 8.250 nan 0.000 0.469 482 K N -0.163 120.040 120.400 -0.327 0.000 2.458 482 K HA 0.068 4.388 4.320 -0.001 0.000 0.194 482 K C 0.716 177.210 176.600 -0.177 0.000 1.024 482 K CA 0.470 56.559 56.287 -0.330 0.000 1.108 482 K CB 0.504 32.527 32.500 -0.796 0.000 0.846 482 K HN 0.336 nan 8.250 nan 0.000 0.518 483 G N 1.739 110.437 108.800 -0.170 0.000 2.141 483 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.231 483 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.231 483 G C -0.083 174.671 174.900 -0.243 0.000 0.984 483 G CA -0.227 44.754 45.100 -0.198 0.000 0.660 483 G HN 0.441 nan 8.290 nan 0.000 0.525 484 H N 0.956 119.898 119.070 -0.213 0.000 2.551 484 H HA 0.455 5.010 4.556 -0.001 0.000 0.358 484 H C 1.229 176.426 175.328 -0.218 0.000 1.151 484 H CA 0.485 56.428 56.048 -0.175 0.000 1.374 484 H CB 1.335 31.008 29.762 -0.148 0.000 1.473 484 H HN 0.491 nan 8.280 nan 0.000 0.574 485 S N 1.568 117.239 115.700 -0.049 0.000 2.579 485 S HA -0.043 4.426 4.470 -0.001 0.000 0.275 485 S C 1.031 175.590 174.600 -0.067 0.000 1.345 485 S CA -0.509 57.654 58.200 -0.061 0.000 1.031 485 S CB 0.472 63.683 63.200 0.019 0.000 0.892 485 S HN 0.520 nan 8.310 nan 0.000 0.529 486 Y N 1.959 122.229 120.300 -0.051 0.000 2.207 486 Y HA -0.163 4.386 4.550 -0.001 0.000 0.287 486 Y C 3.093 178.956 175.900 -0.061 0.000 1.156 486 Y CA 1.926 59.998 58.100 -0.046 0.000 1.182 486 Y CB -0.768 37.680 38.460 -0.021 0.000 0.979 486 Y HN 0.940 nan 8.280 nan 0.000 0.521 487 S N -0.555 115.201 115.700 0.093 0.000 2.368 487 S HA -0.259 4.211 4.470 -0.001 0.000 0.225 487 S C 1.964 176.455 174.600 -0.181 0.000 1.030 487 S CA 1.436 59.581 58.200 -0.092 0.000 0.999 487 S CB -0.551 62.611 63.200 -0.064 0.000 0.844 487 S HN 0.621 nan 8.310 nan 0.000 0.459 488 E N 1.019 121.174 120.200 -0.076 0.000 2.072 488 E HA -0.057 4.293 4.350 -0.001 0.000 0.191 488 E C 2.010 178.579 176.600 -0.052 0.000 0.985 488 E CA 1.178 57.544 56.400 -0.057 0.000 0.801 488 E CB -0.281 29.441 29.700 0.038 0.000 0.750 488 E HN 0.668 nan 8.360 nan 0.000 0.452 489 I N 0.705 121.249 120.570 -0.044 0.000 2.127 489 I HA -0.307 3.862 4.170 -0.001 0.000 0.241 489 I C 2.343 178.441 176.117 -0.032 0.000 1.075 489 I CA 1.173 62.439 61.300 -0.057 0.000 1.334 489 I CB -0.220 37.720 38.000 -0.099 0.000 1.040 489 I HN 0.216 nan 8.210 nan 0.000 0.405 490 I N 0.426 120.988 120.570 -0.014 0.000 2.233 490 I HA -0.241 3.929 4.170 -0.001 0.000 0.243 490 I C 2.227 178.306 176.117 -0.063 0.000 1.093 490 I CA 1.104 62.398 61.300 -0.012 0.000 1.380 490 I CB -0.499 37.507 38.000 0.010 0.000 1.067 490 I HN 0.250 nan 8.210 nan 0.000 0.413 491 N N 0.957 119.572 118.700 -0.142 0.000 2.104 491 N HA -0.233 4.506 4.740 -0.001 0.000 0.190 491 N C 1.777 177.233 175.510 -0.089 0.000 1.024 491 N CA 1.870 54.817 53.050 -0.172 0.000 0.853 491 N CB -0.263 38.023 38.487 -0.334 0.000 1.008 491 N HN 0.542 nan 8.380 nan 0.000 0.424 492 E N -0.146 120.012 120.200 -0.071 0.000 2.216 492 E HA 0.041 4.391 4.350 -0.001 0.000 0.192 492 E C 1.490 178.070 176.600 -0.033 0.000 0.973 492 E CA 1.003 57.380 56.400 -0.040 0.000 0.851 492 E CB -0.271 29.417 29.700 -0.021 0.000 0.804 492 E HN 0.191 nan 8.360 nan 0.000 0.477 493 S N -0.886 114.794 115.700 -0.033 0.000 2.524 493 S HA 0.205 4.674 4.470 -0.001 0.000 0.215 493 S C 1.332 175.920 174.600 -0.021 0.000 0.986 493 S CA 0.244 58.422 58.200 -0.037 0.000 0.911 493 S CB 0.490 63.668 63.200 -0.036 0.000 0.805 493 S HN 0.127 nan 8.310 nan 0.000 0.501 494 V N 0.796 120.709 119.914 -0.001 0.000 3.097 494 V HA 0.319 4.439 4.120 -0.001 0.000 0.223 494 V C 2.143 178.261 176.094 0.040 0.000 1.199 494 V CA 0.368 62.686 62.300 0.031 0.000 1.260 494 V CB -0.641 31.210 31.823 0.047 0.000 1.155 494 V HN 0.325 nan 8.190 nan 0.000 0.509 495 I N 0.824 121.406 120.570 0.020 0.000 2.142 495 I HA -0.260 3.909 4.170 -0.001 0.000 0.240 495 I C 2.563 178.697 176.117 0.027 0.000 1.078 495 I CA 2.253 63.568 61.300 0.025 0.000 1.343 495 I CB -0.230 37.773 38.000 0.006 0.000 1.046 495 I HN 0.454 nan 8.210 nan 0.000 0.405 496 E N 0.366 120.572 120.200 0.010 0.000 2.110 496 E HA -0.239 4.110 4.350 -0.001 0.000 0.193 496 E C 2.263 178.877 176.600 0.023 0.000 0.988 496 E CA 1.446 57.852 56.400 0.011 0.000 0.804 496 E CB 0.045 29.740 29.700 -0.008 0.000 0.745 496 E HN 0.317 nan 8.360 nan 0.000 0.458 497 S N -0.427 115.291 115.700 0.030 0.000 2.343 497 S HA -0.151 4.318 4.470 -0.001 0.000 0.219 497 S C 2.085 176.735 174.600 0.083 0.000 1.033 497 S CA 1.565 59.799 58.200 0.056 0.000 1.014 497 S CB -0.248 62.993 63.200 0.069 0.000 0.915 497 S HN 0.382 nan 8.310 nan 0.000 0.435 498 V N -0.850 119.118 119.914 0.090 0.000 2.871 498 V HA 0.091 4.210 4.120 -0.001 0.000 0.256 498 V C 1.360 177.494 176.094 0.067 0.000 1.082 498 V CA 1.795 64.148 62.300 0.088 0.000 1.105 498 V CB -0.610 31.274 31.823 0.102 0.000 0.713 498 V HN 0.228 nan 8.190 nan 0.000 0.473 499 D N -0.289 120.148 120.400 0.062 0.000 2.380 499 D HA 0.134 4.773 4.640 -0.001 0.000 0.212 499 D C 2.169 178.509 176.300 0.067 0.000 1.021 499 D CA 1.353 55.389 54.000 0.060 0.000 0.884 499 D CB 0.939 41.772 40.800 0.056 0.000 1.001 499 D HN 0.512 nan 8.370 nan 0.000 0.506 500 S N -0.806 114.930 115.700 0.061 0.000 2.694 500 S HA 0.156 4.625 4.470 -0.001 0.000 0.225 500 S C 1.827 176.475 174.600 0.080 0.000 1.012 500 S CA -0.048 58.186 58.200 0.056 0.000 0.896 500 S CB -0.231 62.981 63.200 0.019 0.000 0.838 500 S HN 0.006 nan 8.310 nan 0.000 0.604 501 L N 1.911 123.172 121.223 0.063 0.000 2.068 501 L HA 0.069 4.408 4.340 -0.001 0.000 0.204 501 L C 2.304 179.267 176.870 0.157 0.000 1.076 501 L CA 0.902 55.793 54.840 0.084 0.000 0.753 501 L CB -0.761 41.319 42.059 0.036 0.000 0.910 501 L HN 0.264 nan 8.230 nan 0.000 0.439 502 N N 0.019 118.792 118.700 0.122 0.000 2.084 502 N HA -0.125 4.615 4.740 -0.001 0.000 0.190 502 N C -0.757 174.840 175.510 0.145 0.000 1.030 502 N CA 1.419 54.540 53.050 0.118 0.000 0.849 502 N CB -1.493 37.038 38.487 0.072 0.000 1.012 502 N HN 0.186 nan 8.380 nan 0.000 0.423 503 P HA -0.091 nan 4.420 nan 0.000 0.215 503 P C 1.393 178.800 177.300 0.178 0.000 1.153 503 P CA 0.755 63.939 63.100 0.141 0.000 0.853 503 P CB -0.084 31.685 31.700 0.114 0.000 0.788 504 F N -0.343 119.642 119.950 0.058 0.000 2.095 504 F HA -0.200 4.326 4.527 -0.001 0.000 0.298 504 F C 2.208 178.036 175.800 0.047 0.000 1.104 504 F CA 1.762 59.789 58.000 0.044 0.000 1.232 504 F CB -0.598 38.434 39.000 0.054 0.000 0.987 504 F HN -0.206 nan 8.300 nan 0.000 0.475 505 M N -1.500 118.247 119.600 0.246 0.000 2.319 505 M HA -0.210 4.269 4.480 -0.001 0.000 0.265 505 M C 2.248 178.618 176.300 0.118 0.000 1.068 505 M CA 1.227 56.624 55.300 0.162 0.000 1.118 505 M CB -0.835 31.869 32.600 0.172 0.000 1.395 505 M HN 0.280 nan 8.290 nan 0.000 0.435 506 H N 0.204 119.290 119.070 0.027 0.000 2.423 506 H HA -0.041 4.514 4.556 -0.001 0.000 0.297 506 H C 1.941 177.257 175.328 -0.021 0.000 1.075 506 H CA 1.550 57.609 56.048 0.018 0.000 1.342 506 H CB 0.439 30.210 29.762 0.015 0.000 1.395 506 H HN 0.366 nan 8.280 nan 0.000 0.530 507 A N 0.496 123.265 122.820 -0.084 0.000 1.898 507 A HA -0.048 4.272 4.320 -0.001 0.000 0.214 507 A C 2.512 179.928 177.584 -0.280 0.000 1.183 507 A CA 1.769 53.682 52.037 -0.207 0.000 0.622 507 A CB -0.534 18.310 19.000 -0.260 0.000 0.824 507 A HN 0.524 nan 8.150 nan 0.000 0.444 508 R N -0.878 119.427 120.500 -0.326 0.000 2.373 508 R HA 0.479 4.819 4.340 -0.001 0.000 0.221 508 R C 1.238 177.462 176.300 -0.126 0.000 0.893 508 R CA 1.327 57.189 56.100 -0.397 0.000 1.049 508 R CB -1.126 28.616 30.300 -0.929 0.000 1.119 508 R HN 2.220 nan 8.270 nan 0.000 0.535 509 G N -1.024 107.773 108.800 -0.005 0.000 2.692 509 G HA2 -0.088 3.872 3.960 -0.001 0.000 0.686 509 G HA3 -0.088 3.872 3.960 -0.001 0.000 0.686 509 G C 0.798 175.740 174.900 0.070 0.000 1.243 509 G CA -0.268 44.911 45.100 0.133 0.000 0.782 509 G HN 0.629 nan 8.290 nan 0.000 0.625 510 V N 1.569 121.495 119.914 0.020 0.000 2.407 510 V HA -0.105 4.014 4.120 -0.001 0.000 0.248 510 V C 3.359 179.168 176.094 -0.474 0.000 1.055 510 V CA 3.359 65.552 62.300 -0.178 0.000 1.049 510 V CB -1.255 30.494 31.823 -0.124 0.000 0.662 510 V HN 1.784 nan 8.190 nan 0.000 0.455 511 A N -0.241 122.061 122.820 -0.864 0.000 1.908 511 A HA -0.280 4.040 4.320 -0.001 0.000 0.218 511 A C 2.112 179.492 177.584 -0.341 0.000 1.181 511 A CA 2.157 53.683 52.037 -0.852 0.000 0.627 511 A CB -0.795 17.657 19.000 -0.914 0.000 0.818 511 A HN 0.524 nan 8.150 nan 0.000 0.445 512 F N 0.380 120.171 119.950 -0.266 0.000 2.091 512 F HA -0.281 4.246 4.527 -0.001 0.000 0.299 512 F C 2.372 178.123 175.800 -0.081 0.000 1.103 512 F CA 2.355 60.276 58.000 -0.131 0.000 1.228 512 F CB -0.171 38.782 39.000 -0.078 0.000 0.984 512 F HN 0.128 nan 8.300 nan 0.000 0.477 513 M N -0.354 119.294 119.600 0.080 0.000 2.117 513 M HA -0.159 4.321 4.480 -0.001 0.000 0.262 513 M C 2.226 178.443 176.300 -0.138 0.000 1.065 513 M CA 1.255 56.565 55.300 0.017 0.000 1.114 513 M CB -1.485 31.176 32.600 0.103 0.000 1.361 513 M HN 0.091 nan 8.290 nan 0.000 0.408 514 V N 0.629 120.423 119.914 -0.200 0.000 2.490 514 V HA -0.236 3.884 4.120 -0.001 0.000 0.250 514 V C 1.697 177.669 176.094 -0.204 0.000 1.061 514 V CA 1.739 63.919 62.300 -0.200 0.000 1.064 514 V CB -0.773 30.874 31.823 -0.294 0.000 0.670 514 V HN 0.340 nan 8.190 nan 0.000 0.461 515 D N -0.363 119.875 120.400 -0.269 0.000 2.289 515 D HA -0.009 4.630 4.640 -0.001 0.000 0.207 515 D C 1.599 177.714 176.300 -0.309 0.000 0.966 515 D CA 0.712 54.550 54.000 -0.270 0.000 0.868 515 D CB -0.055 40.580 40.800 -0.275 0.000 0.943 515 D HN 0.444 nan 8.370 nan 0.000 0.514 516 N N -0.656 117.811 118.700 -0.387 0.000 2.159 516 N HA 0.052 4.792 4.740 -0.001 0.000 0.217 516 N C 0.113 175.480 175.510 -0.237 0.000 1.223 516 N CA -0.130 52.684 53.050 -0.393 0.000 0.896 516 N CB 1.087 39.125 38.487 -0.749 0.000 1.064 516 N HN 0.054 nan 8.380 nan 0.000 0.518 517 C N 1.535 120.727 119.300 -0.180 0.000 2.640 517 C HA 0.213 4.673 4.460 -0.001 0.000 0.330 517 C C 1.642 176.564 174.990 -0.113 0.000 1.416 517 C CA -0.475 58.465 59.018 -0.130 0.000 2.396 517 C CB 0.594 28.272 27.740 -0.104 0.000 2.330 517 C HN 0.469 nan 8.230 nan 0.000 0.704 518 S N 0.926 116.562 115.700 -0.106 0.000 2.561 518 S HA -0.050 4.419 4.470 -0.001 0.000 0.294 518 S C 0.962 175.520 174.600 -0.069 0.000 1.294 518 S CA 0.654 58.797 58.200 -0.096 0.000 1.055 518 S CB 0.482 63.612 63.200 -0.117 0.000 0.819 518 S HN 0.788 nan 8.310 nan 0.000 0.503 519 T N 3.820 118.345 114.554 -0.049 0.000 2.665 519 T HA -0.133 4.217 4.350 -0.001 0.000 0.268 519 T C 1.914 176.625 174.700 0.019 0.000 1.035 519 T CA 2.242 64.349 62.100 0.012 0.000 1.151 519 T CB -1.005 67.907 68.868 0.075 0.000 0.862 519 T HN 0.846 nan 8.240 nan 0.000 0.438 520 T N 1.750 116.280 114.554 -0.039 0.000 2.788 520 T HA -0.018 4.332 4.350 -0.001 0.000 0.268 520 T C 2.361 177.081 174.700 0.033 0.000 1.044 520 T CA 1.154 63.251 62.100 -0.006 0.000 1.139 520 T CB -0.485 68.349 68.868 -0.056 0.000 0.867 520 T HN 0.454 nan 8.240 nan 0.000 0.454 521 A N 1.616 124.431 122.820 -0.009 0.000 1.898 521 A HA -0.048 4.272 4.320 -0.001 0.000 0.216 521 A C 2.386 179.983 177.584 0.022 0.000 1.181 521 A CA 1.094 53.129 52.037 -0.003 0.000 0.620 521 A CB -0.397 18.574 19.000 -0.049 0.000 0.819 521 A HN 0.378 nan 8.150 nan 0.000 0.442 522 R N -0.554 119.951 120.500 0.008 0.000 2.081 522 R HA -0.030 4.310 4.340 -0.001 0.000 0.235 522 R C 2.066 178.404 176.300 0.064 0.000 1.131 522 R CA 1.419 57.526 56.100 0.011 0.000 0.960 522 R CB -0.551 29.736 30.300 -0.023 0.000 0.856 522 R HN 0.490 nan 8.270 nan 0.000 0.436 523 L N -0.353 120.927 121.223 0.096 0.000 2.046 523 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 523 L C 2.596 179.560 176.870 0.157 0.000 1.077 523 L CA 1.510 56.427 54.840 0.128 0.000 0.747 523 L CB -0.834 41.308 42.059 0.138 0.000 0.896 523 L HN 0.381 nan 8.230 nan 0.000 0.432 524 G N -1.343 107.564 108.800 0.179 0.000 2.421 524 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.216 524 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.216 524 G C 1.801 176.892 174.900 0.317 0.000 1.171 524 G CA 0.997 46.270 45.100 0.287 0.000 0.775 524 G HN 0.347 nan 8.290 nan 0.000 0.543 525 S N -0.024 115.791 115.700 0.192 0.000 2.356 525 S HA -0.139 4.330 4.470 -0.001 0.000 0.223 525 S C 2.387 177.110 174.600 0.204 0.000 1.032 525 S CA 1.683 60.000 58.200 0.195 0.000 1.005 525 S CB -0.286 62.988 63.200 0.123 0.000 0.867 525 S HN 0.450 nan 8.310 nan 0.000 0.449 526 R N 0.692 121.279 120.500 0.144 0.000 2.096 526 R HA -0.079 4.260 4.340 -0.001 0.000 0.235 526 R C 2.429 178.753 176.300 0.039 0.000 1.127 526 R CA 1.786 57.945 56.100 0.098 0.000 0.968 526 R CB -0.239 30.100 30.300 0.065 0.000 0.861 526 R HN 0.408 nan 8.270 nan 0.000 0.440 527 K N -0.987 119.431 120.400 0.031 0.000 2.116 527 K HA -0.125 4.195 4.320 -0.001 0.000 0.203 527 K C 1.171 177.550 176.600 -0.368 0.000 1.052 527 K CA 1.353 57.523 56.287 -0.195 0.000 0.952 527 K CB 0.011 32.373 32.500 -0.230 0.000 0.729 527 K HN 0.218 nan 8.250 nan 0.000 0.446 528 W N -0.253 121.081 121.300 0.058 0.000 2.808 528 W HA 0.335 4.995 4.660 -0.001 0.000 0.266 528 W C 2.062 178.698 176.519 0.194 0.000 1.247 528 W CA 0.191 57.594 57.345 0.096 0.000 1.440 528 W CB -0.058 29.504 29.460 0.169 0.000 1.040 528 W HN 0.063 nan 8.180 nan 0.000 0.606 529 A N 1.623 124.645 122.820 0.337 0.000 1.903 529 A HA -0.221 4.099 4.320 -0.001 0.000 0.219 529 A C -0.306 177.348 177.584 0.117 0.000 1.191 529 A CA 2.154 54.320 52.037 0.215 0.000 0.638 529 A CB -1.949 17.061 19.000 0.016 0.000 0.823 529 A HN 0.118 nan 8.150 nan 0.000 0.451 530 P HA -0.132 nan 4.420 nan 0.000 0.218 530 P C 1.415 178.690 177.300 -0.042 0.000 1.149 530 P CA 0.901 63.978 63.100 -0.039 0.000 0.817 530 P CB -0.082 31.527 31.700 -0.152 0.000 0.785 531 R N -1.203 119.246 120.500 -0.084 0.000 2.081 531 R HA -0.044 4.295 4.340 -0.001 0.000 0.235 531 R C 2.195 178.434 176.300 -0.102 0.000 1.131 531 R CA 1.308 57.317 56.100 -0.151 0.000 0.960 531 R CB -1.622 28.547 30.300 -0.218 0.000 0.856 531 R HN 0.299 nan 8.270 nan 0.000 0.436 532 F N 1.403 121.398 119.950 0.075 0.000 2.146 532 F HA -0.158 4.368 4.527 -0.001 0.000 0.298 532 F C 2.378 178.185 175.800 0.012 0.000 1.096 532 F CA 1.448 59.474 58.000 0.043 0.000 1.275 532 F CB -0.492 38.532 39.000 0.039 0.000 1.008 532 F HN 0.068 nan 8.300 nan 0.000 0.480 533 D N -0.489 120.038 120.400 0.211 0.000 2.092 533 D HA -0.250 4.389 4.640 -0.001 0.000 0.193 533 D C 2.179 178.544 176.300 0.108 0.000 0.994 533 D CA 1.692 55.775 54.000 0.138 0.000 0.828 533 D CB -0.472 40.424 40.800 0.161 0.000 0.963 533 D HN 0.224 nan 8.370 nan 0.000 0.450 534 Y N 0.197 120.467 120.300 -0.050 0.000 2.181 534 Y HA -0.086 4.464 4.550 -0.001 0.000 0.288 534 Y C 2.435 178.276 175.900 -0.098 0.000 1.146 534 Y CA 0.814 58.873 58.100 -0.068 0.000 1.164 534 Y CB -0.546 37.873 38.460 -0.067 0.000 0.982 534 Y HN 0.044 nan 8.280 nan 0.000 0.515 535 I N -0.836 119.763 120.570 0.048 0.000 2.439 535 I HA -0.231 3.939 4.170 -0.001 0.000 0.251 535 I C 2.156 178.202 176.117 -0.119 0.000 1.139 535 I CA 1.032 62.314 61.300 -0.029 0.000 1.438 535 I CB -0.327 37.645 38.000 -0.047 0.000 1.085 535 I HN 0.156 nan 8.210 nan 0.000 0.427 536 L N -0.484 120.623 121.223 -0.193 0.000 2.056 536 L HA -0.203 4.136 4.340 -0.001 0.000 0.207 536 L C 2.337 178.730 176.870 -0.794 0.000 1.078 536 L CA 1.864 56.416 54.840 -0.478 0.000 0.749 536 L CB -0.836 40.889 42.059 -0.556 0.000 0.901 536 L HN 0.251 nan 8.230 nan 0.000 0.433 537 T N -1.051 113.167 114.554 -0.560 0.000 2.777 537 T HA -0.203 4.146 4.350 -0.001 0.000 0.266 537 T C 1.827 176.438 174.700 -0.148 0.000 1.040 537 T CA 1.178 63.071 62.100 -0.346 0.000 1.141 537 T CB -0.084 68.674 68.868 -0.183 0.000 0.868 537 T HN 0.383 nan 8.240 nan 0.000 0.444 538 Q N 0.137 119.854 119.800 -0.138 0.000 2.187 538 Q HA 0.034 4.373 4.340 -0.001 0.000 0.199 538 Q C 2.285 178.272 176.000 -0.022 0.000 0.957 538 Q CA 0.919 56.686 55.803 -0.061 0.000 0.857 538 Q CB 0.111 28.826 28.738 -0.039 0.000 0.929 538 Q HN 0.582 nan 8.270 nan 0.000 0.453 539 Q N -0.955 118.821 119.800 -0.041 0.000 2.644 539 Q HA 0.197 4.536 4.340 -0.001 0.000 0.220 539 Q C 2.031 178.049 176.000 0.031 0.000 0.866 539 Q CA 0.504 56.310 55.803 0.005 0.000 0.915 539 Q CB 0.037 28.780 28.738 0.008 0.000 1.191 539 Q HN 0.219 nan 8.270 nan 0.000 0.641 540 A N 1.035 123.838 122.820 -0.029 0.000 1.858 540 A HA -0.129 4.191 4.320 -0.001 0.000 0.216 540 A C 1.854 179.593 177.584 0.258 0.000 1.190 540 A CA 1.261 53.330 52.037 0.053 0.000 0.617 540 A CB -1.002 17.970 19.000 -0.047 0.000 0.827 540 A HN 0.344 nan 8.150 nan 0.000 0.443 541 F N -0.454 119.562 119.950 0.110 0.000 2.234 541 F HA -0.136 4.390 4.527 -0.001 0.000 0.299 541 F C 2.376 178.230 175.800 0.089 0.000 1.087 541 F CA 0.564 58.639 58.000 0.125 0.000 1.340 541 F CB -0.123 38.926 39.000 0.081 0.000 1.031 541 F HN 0.041 nan 8.300 nan 0.000 0.500 542 V N -0.200 119.861 119.914 0.244 0.000 2.343 542 V HA -0.277 3.842 4.120 -0.001 0.000 0.247 542 V C 2.225 178.401 176.094 0.137 0.000 1.051 542 V CA 2.270 64.659 62.300 0.148 0.000 1.036 542 V CB -0.964 30.915 31.823 0.093 0.000 0.654 542 V HN 0.353 nan 8.190 nan 0.000 0.451 543 T N 0.142 114.784 114.554 0.148 0.000 2.684 543 T HA -0.195 4.154 4.350 -0.001 0.000 0.267 543 T C 1.954 176.748 174.700 0.157 0.000 1.036 543 T CA 1.836 64.019 62.100 0.139 0.000 1.148 543 T CB -0.292 68.660 68.868 0.140 0.000 0.863 543 T HN 0.278 nan 8.240 nan 0.000 0.436 544 V N 2.026 122.068 119.914 0.214 0.000 2.295 544 V HA -0.163 3.956 4.120 -0.001 0.000 0.246 544 V C 2.270 178.450 176.094 0.144 0.000 1.049 544 V CA 1.767 64.200 62.300 0.221 0.000 1.024 544 V CB -0.528 31.503 31.823 0.347 0.000 0.648 544 V HN 0.444 nan 8.190 nan 0.000 0.447 545 D N -0.266 120.209 120.400 0.125 0.000 2.264 545 D HA -0.103 4.536 4.640 -0.001 0.000 0.208 545 D C 2.074 178.413 176.300 0.064 0.000 0.966 545 D CA 0.830 54.874 54.000 0.073 0.000 0.864 545 D CB -0.141 40.695 40.800 0.061 0.000 0.933 545 D HN 0.411 nan 8.370 nan 0.000 0.499 546 K N 0.395 120.841 120.400 0.077 0.000 2.486 546 K HA -0.053 4.266 4.320 -0.001 0.000 0.194 546 K C -0.311 176.327 176.600 0.063 0.000 1.033 546 K CA 0.123 56.449 56.287 0.064 0.000 1.004 546 K CB 0.410 32.951 32.500 0.068 0.000 0.798 546 K HN -0.111 nan 8.250 nan 0.000 0.495 547 D N -0.198 120.246 120.400 0.073 0.000 2.800 547 D HA -0.164 4.475 4.640 -0.001 0.000 0.232 547 D C -0.435 175.909 176.300 0.075 0.000 1.137 547 D CA 1.019 55.062 54.000 0.072 0.000 0.718 547 D CB -1.456 39.376 40.800 0.054 0.000 1.084 547 D HN 0.369 nan 8.370 nan 0.000 0.432 548 A N 0.585 123.457 122.820 0.086 0.000 2.520 548 A HA 0.416 4.735 4.320 -0.001 0.000 0.235 548 A C -1.392 176.242 177.584 0.084 0.000 1.065 548 A CA -0.613 51.474 52.037 0.084 0.000 0.764 548 A CB 0.159 19.216 19.000 0.095 0.000 1.002 548 A HN 0.062 nan 8.150 nan 0.000 0.502 549 P HA 0.170 nan 4.420 nan 0.000 0.269 549 P C -0.279 177.070 177.300 0.082 0.000 1.215 549 P CA -0.353 62.790 63.100 0.072 0.000 0.780 549 P CB 0.244 31.980 31.700 0.061 0.000 0.898 550 I N 2.254 122.872 120.570 0.081 0.000 2.683 550 I HA -0.051 4.118 4.170 -0.001 0.000 0.286 550 I C 1.193 177.354 176.117 0.074 0.000 1.175 550 I CA 0.004 61.355 61.300 0.083 0.000 1.429 550 I CB -1.025 37.024 38.000 0.082 0.000 1.371 550 I HN 0.407 nan 8.210 nan 0.000 0.569 551 N N 6.851 125.599 118.700 0.080 0.000 2.448 551 N HA 0.016 4.755 4.740 -0.001 0.000 0.250 551 N C 0.854 176.391 175.510 0.045 0.000 1.136 551 N CA -0.113 52.983 53.050 0.075 0.000 0.953 551 N CB 0.694 39.245 38.487 0.106 0.000 1.251 551 N HN 0.344 nan 8.380 nan 0.000 0.502 552 Q N 1.655 121.477 119.800 0.036 0.000 2.224 552 Q HA -0.149 4.190 4.340 -0.001 0.000 0.203 552 Q C 0.849 176.849 176.000 -0.000 0.000 0.970 552 Q CA 0.967 56.779 55.803 0.015 0.000 0.865 552 Q CB -0.075 28.674 28.738 0.018 0.000 0.922 552 Q HN 0.690 nan 8.270 nan 0.000 0.445 553 D N 0.646 121.054 120.400 0.013 0.000 2.104 553 D HA -0.143 4.496 4.640 -0.001 0.000 0.194 553 D C 1.954 178.231 176.300 -0.038 0.000 0.994 553 D CA 0.990 54.993 54.000 0.004 0.000 0.830 553 D CB -0.102 40.721 40.800 0.038 0.000 0.959 553 D HN 0.156 nan 8.370 nan 0.000 0.452 554 L N 0.001 121.188 121.223 -0.060 0.000 2.012 554 L HA -0.169 4.170 4.340 -0.001 0.000 0.210 554 L C 2.432 179.227 176.870 -0.126 0.000 1.073 554 L CA 0.584 55.329 54.840 -0.158 0.000 0.748 554 L CB -0.421 41.541 42.059 -0.161 0.000 0.891 554 L HN 0.216 nan 8.230 nan 0.000 0.431 555 I N -0.060 120.448 120.570 -0.102 0.000 2.202 555 I HA -0.232 3.937 4.170 -0.001 0.000 0.242 555 I C 2.892 178.952 176.117 -0.095 0.000 1.091 555 I CA 1.868 63.080 61.300 -0.147 0.000 1.368 555 I CB -1.407 36.537 38.000 -0.094 0.000 1.058 555 I HN 0.352 nan 8.210 nan 0.000 0.410 556 S N 1.403 117.062 115.700 -0.069 0.000 2.368 556 S HA -0.173 4.296 4.470 -0.001 0.000 0.225 556 S C 1.809 176.373 174.600 -0.060 0.000 1.030 556 S CA 1.279 59.440 58.200 -0.065 0.000 0.999 556 S CB -0.648 62.527 63.200 -0.041 0.000 0.844 556 S HN 0.360 nan 8.310 nan 0.000 0.459 557 N N 1.382 120.054 118.700 -0.046 0.000 2.120 557 N HA -0.018 4.721 4.740 -0.001 0.000 0.188 557 N C 1.307 176.828 175.510 0.018 0.000 1.024 557 N CA 1.341 54.375 53.050 -0.027 0.000 0.852 557 N CB -0.856 37.600 38.487 -0.051 0.000 1.003 557 N HN 0.525 nan 8.380 nan 0.000 0.424 558 F N 1.524 121.382 119.950 -0.154 0.000 2.069 558 F HA -0.131 4.396 4.527 -0.001 0.000 0.298 558 F C 2.042 177.840 175.800 -0.003 0.000 1.113 558 F CA 1.390 59.329 58.000 -0.102 0.000 1.214 558 F CB -0.273 38.447 39.000 -0.466 0.000 0.978 558 F HN -0.072 nan 8.300 nan 0.000 0.474 559 M N 0.208 119.579 119.600 -0.383 0.000 2.296 559 M HA -0.079 4.400 4.480 -0.001 0.000 0.265 559 M C 2.160 178.299 176.300 -0.268 0.000 1.064 559 M CA 1.602 56.593 55.300 -0.514 0.000 1.109 559 M CB -1.651 30.744 32.600 -0.342 0.000 1.396 559 M HN 0.446 nan 8.290 nan 0.000 0.430 560 S N -1.672 113.948 115.700 -0.133 0.000 2.540 560 S HA 0.066 4.536 4.470 -0.001 0.000 0.218 560 S C 0.508 175.096 174.600 -0.020 0.000 0.977 560 S CA -0.574 57.587 58.200 -0.064 0.000 0.918 560 S CB 0.003 63.172 63.200 -0.053 0.000 0.806 560 S HN 0.347 nan 8.310 nan 0.000 0.496 561 D N 3.300 123.701 120.400 0.001 0.000 2.458 561 D HA 0.104 4.744 4.640 -0.001 0.000 0.243 561 D C -1.545 174.709 176.300 -0.077 0.000 1.146 561 D CA -1.219 52.756 54.000 -0.042 0.000 0.877 561 D CB 1.443 42.175 40.800 -0.115 0.000 1.176 561 D HN 0.071 nan 8.370 nan 0.000 0.461 562 P HA -0.131 nan 4.420 nan 0.000 0.221 562 P C 1.489 178.689 177.300 -0.167 0.000 1.145 562 P CA 0.239 63.290 63.100 -0.083 0.000 0.795 562 P CB 0.258 31.936 31.700 -0.036 0.000 0.775 563 V N -0.254 119.562 119.914 -0.164 0.000 2.594 563 V HA -0.242 3.877 4.120 -0.001 0.000 0.253 563 V C 2.274 178.253 176.094 -0.192 0.000 1.069 563 V CA 1.855 64.064 62.300 -0.151 0.000 1.082 563 V CB -1.037 30.775 31.823 -0.018 0.000 0.680 563 V HN 0.192 nan 8.190 nan 0.000 0.469 564 H N 0.203 119.251 119.070 -0.038 0.000 2.321 564 H HA -0.054 4.502 4.556 -0.001 0.000 0.300 564 H C 2.326 177.615 175.328 -0.065 0.000 1.087 564 H CA 1.539 57.556 56.048 -0.052 0.000 1.319 564 H CB -0.955 28.747 29.762 -0.101 0.000 1.379 564 H HN 0.526 nan 8.280 nan 0.000 0.501 565 G N 0.603 109.409 108.800 0.010 0.000 2.418 565 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.217 565 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.217 565 G C 2.013 176.867 174.900 -0.077 0.000 1.158 565 G CA 1.252 46.328 45.100 -0.040 0.000 0.771 565 G HN 0.521 nan 8.290 nan 0.000 0.545 566 A N 0.661 123.392 122.820 -0.148 0.000 1.933 566 A HA 0.068 4.387 4.320 -0.001 0.000 0.218 566 A C 2.389 179.923 177.584 -0.082 0.000 1.175 566 A CA 1.207 53.132 52.037 -0.187 0.000 0.628 566 A CB -0.330 18.416 19.000 -0.424 0.000 0.814 566 A HN 0.381 nan 8.150 nan 0.000 0.444 567 I N -0.361 120.188 120.570 -0.036 0.000 2.226 567 I HA -0.276 3.893 4.170 -0.001 0.000 0.245 567 I C 2.482 178.605 176.117 0.009 0.000 1.100 567 I CA 1.623 62.930 61.300 0.011 0.000 1.374 567 I CB -0.436 37.601 38.000 0.062 0.000 1.057 567 I HN 0.432 nan 8.210 nan 0.000 0.413 568 E N 0.247 120.452 120.200 0.007 0.000 2.058 568 E HA -0.209 4.140 4.350 -0.001 0.000 0.194 568 E C 2.302 178.897 176.600 -0.009 0.000 0.997 568 E CA 1.619 58.021 56.400 0.003 0.000 0.801 568 E CB -0.140 29.559 29.700 -0.002 0.000 0.746 568 E HN 0.307 nan 8.360 nan 0.000 0.450 569 V N 0.714 120.613 119.914 -0.025 0.000 2.307 569 V HA -0.291 3.829 4.120 -0.001 0.000 0.245 569 V C 2.462 178.539 176.094 -0.028 0.000 1.045 569 V CA 1.480 63.763 62.300 -0.029 0.000 1.024 569 V CB -0.446 31.352 31.823 -0.042 0.000 0.651 569 V HN 0.473 nan 8.190 nan 0.000 0.449 570 C N 0.325 119.610 119.300 -0.025 0.000 2.425 570 C HA -0.101 4.358 4.460 -0.001 0.000 0.277 570 C C 3.088 178.068 174.990 -0.017 0.000 1.280 570 C CA 0.851 59.855 59.018 -0.024 0.000 1.744 570 C CB -1.289 26.428 27.740 -0.038 0.000 1.989 570 C HN 0.635 nan 8.230 nan 0.000 0.491 571 A N 0.172 122.990 122.820 -0.003 0.000 2.019 571 A HA -0.188 4.131 4.320 -0.001 0.000 0.219 571 A C 1.939 179.535 177.584 0.021 0.000 1.164 571 A CA 1.466 53.512 52.037 0.016 0.000 0.644 571 A CB -0.519 18.496 19.000 0.025 0.000 0.805 571 A HN 0.747 nan 8.150 nan 0.000 0.449 572 E N -0.312 119.892 120.200 0.006 0.000 2.338 572 E HA -0.037 4.312 4.350 -0.001 0.000 0.197 572 E C 1.043 177.649 176.600 0.009 0.000 1.007 572 E CA 0.539 56.947 56.400 0.014 0.000 0.849 572 E CB -0.166 29.538 29.700 0.006 0.000 0.774 572 E HN 0.649 nan 8.360 nan 0.000 0.506 573 L N 0.727 121.911 121.223 -0.065 0.000 2.611 573 L HA 0.134 4.473 4.340 -0.001 0.000 0.229 573 L C 0.853 177.774 176.870 0.085 0.000 1.137 573 L CA -0.142 54.555 54.840 -0.237 0.000 0.901 573 L CB -0.063 41.649 42.059 -0.577 0.000 1.098 573 L HN -0.080 nan 8.230 nan 0.000 0.456 574 R N 0.714 121.288 120.500 0.122 0.000 2.679 574 R HA 0.212 4.551 4.340 -0.001 0.000 0.269 574 R C -2.054 174.368 176.300 0.203 0.000 1.076 574 R CA -1.678 54.519 56.100 0.161 0.000 1.160 574 R CB -0.189 30.172 30.300 0.101 0.000 1.054 574 R HN -0.144 nan 8.270 nan 0.000 0.507 575 P HA -0.051 nan 4.420 nan 0.000 0.268 575 P C 0.387 177.751 177.300 0.106 0.000 1.208 575 P CA 0.316 63.501 63.100 0.142 0.000 0.777 575 P CB 0.483 32.251 31.700 0.113 0.000 0.875 576 T N -2.442 112.162 114.554 0.083 0.000 3.169 576 T HA 0.245 4.594 4.350 -0.001 0.000 0.250 576 T C 0.510 175.239 174.700 0.048 0.000 1.111 576 T CA -0.087 62.051 62.100 0.062 0.000 1.010 576 T CB -0.835 68.060 68.868 0.045 0.000 0.984 576 T HN 0.304 nan 8.240 nan 0.000 0.537 577 V N -2.690 117.255 119.914 0.052 0.000 2.962 577 V HA 0.580 4.700 4.120 -0.001 0.000 0.313 577 V C -1.255 174.872 176.094 0.054 0.000 1.099 577 V CA -1.555 60.772 62.300 0.046 0.000 0.971 577 V CB 1.798 33.645 31.823 0.041 0.000 1.028 577 V HN -0.024 nan 8.190 nan 0.000 0.430 578 D N 2.079 122.509 120.400 0.050 0.000 2.488 578 D HA 0.192 4.831 4.640 -0.001 0.000 0.238 578 D C 1.087 177.423 176.300 0.061 0.000 1.138 578 D CA 0.751 54.784 54.000 0.054 0.000 0.873 578 D CB 1.524 42.354 40.800 0.049 0.000 1.183 578 D HN 0.845 nan 8.370 nan 0.000 0.458 579 I N -1.289 119.320 120.570 0.066 0.000 3.956 579 I HA 0.222 4.391 4.170 -0.001 0.000 0.333 579 I C 0.519 176.680 176.117 0.074 0.000 1.302 579 I CA -0.088 61.253 61.300 0.068 0.000 1.122 579 I CB 0.442 38.482 38.000 0.067 0.000 1.013 579 I HN 0.188 nan 8.210 nan 0.000 0.405 580 S N 0.000 115.751 115.700 0.085 0.000 2.498 580 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 580 S CA 0.000 58.270 58.200 0.118 0.000 1.107 580 S CB 0.000 63.281 63.200 0.135 0.000 0.593 580 S HN 0.000 nan 8.310 nan 0.000 0.517