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 1knw_1_A DATA FIRST_RESID 2 DATA SEQUENCE PHSLFSTDTD LTAENLLRLP AEFGCPVWVY DAQIIRRQIA ALKQFDVVRF DATA SEQUENCE AQKACSNIHI LRLMREQGVK VDSVSLGEIE RALAAGYNPQ THPDDIVFTA DATA SEQUENCE DVIDQATLER VSELQIPVNA GSVDMLDQLG QVSPGHRVWL RVNPGFGHGH DATA SEQUENCE SQKTNTGGEN SKHGIWYTDL PAALDVIQRH HLQLVGIHMH IGSGVDYAHL DATA SEQUENCE EQVCGAMVRQ VIEFGQDLQA ISAGGGLSVP YQQGEEAVDT EHYYGLWNAA DATA SEQUENCE REQIARHLGH PVKLEIEPGR FLVAQSGVLI TQVRSVKQMG SRHFVLVDAG DATA SEQUENCE FNDLMRPAMY GSYHHISALA ADGRSLEHAP TVETVVAGPL CESGDVFTQQ DATA SEQUENCE EGGNVETRAL PEVKAGDYLV LHDTGAYGAS MSSNYNSRPL LPEVLFDNGQ DATA SEQUENCE ARLIRRRQTI EELLALELLH H 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.318 177.300 0.030 0.000 1.155 2 P CA 0.000 63.117 63.100 0.028 0.000 0.800 2 P CB 0.000 31.739 31.700 0.065 0.000 0.726 3 H N -0.032 119.088 119.070 0.083 0.000 2.582 3 H HA 0.494 5.049 4.556 -0.001 0.000 0.345 3 H C -0.123 175.259 175.328 0.090 0.000 1.104 3 H CA 0.011 56.093 56.048 0.056 0.000 1.390 3 H CB 0.777 30.558 29.762 0.032 0.000 1.461 3 H HN 0.493 nan 8.280 nan 0.000 0.551 4 S N 3.467 119.176 115.700 0.016 0.000 2.580 4 S HA 0.078 4.548 4.470 -0.001 0.000 0.274 4 S C 1.422 175.989 174.600 -0.055 0.000 1.329 4 S CA -0.985 57.209 58.200 -0.009 0.000 1.036 4 S CB 0.822 64.091 63.200 0.113 0.000 0.919 4 S HN 0.556 nan 8.310 nan 0.000 0.515 5 L N 0.785 121.833 121.223 -0.293 0.000 2.551 5 L HA 0.135 4.475 4.340 -0.001 0.000 0.228 5 L C 0.576 177.005 176.870 -0.736 0.000 1.153 5 L CA 1.201 55.724 54.840 -0.529 0.000 0.851 5 L CB -1.785 39.840 42.059 -0.723 0.000 0.959 5 L HN 0.734 nan 8.230 nan 0.000 0.451 6 F N -1.207 118.777 119.950 0.057 0.000 2.668 6 F HA 0.146 4.672 4.527 -0.001 0.000 0.301 6 F C 2.166 177.990 175.800 0.039 0.000 1.106 6 F CA 0.158 58.179 58.000 0.034 0.000 1.289 6 F CB -0.390 38.615 39.000 0.009 0.000 1.006 6 F HN 0.019 nan 8.300 nan 0.000 0.535 7 S N -0.567 115.208 115.700 0.125 0.000 2.348 7 S HA -0.112 4.358 4.470 -0.001 0.000 0.219 7 S C 1.220 175.853 174.600 0.056 0.000 1.033 7 S CA 1.149 59.408 58.200 0.099 0.000 0.974 7 S CB -0.814 62.445 63.200 0.098 0.000 0.868 7 S HN 0.297 nan 8.310 nan 0.000 0.459 8 T N 2.000 116.566 114.554 0.019 0.000 4.131 8 T HA -0.153 4.196 4.350 -0.001 0.000 0.347 8 T C 0.116 174.795 174.700 -0.036 0.000 0.755 8 T CA 1.228 63.314 62.100 -0.024 0.000 1.936 8 T CB -2.520 66.346 68.868 -0.003 0.000 1.861 8 T HN 0.943 nan 8.240 nan 0.000 0.863 9 D N -0.093 120.279 120.400 -0.046 0.000 2.324 9 D HA 0.083 4.723 4.640 -0.001 0.000 0.212 9 D C 1.302 177.540 176.300 -0.102 0.000 0.984 9 D CA 0.708 54.675 54.000 -0.056 0.000 0.885 9 D CB 0.099 40.877 40.800 -0.036 0.000 0.996 9 D HN 0.646 nan 8.370 nan 0.000 0.505 10 T N -2.685 111.777 114.554 -0.155 0.000 2.888 10 T HA 0.262 4.612 4.350 -0.001 0.000 0.283 10 T C 0.385 174.913 174.700 -0.288 0.000 1.013 10 T CA -0.640 61.326 62.100 -0.225 0.000 0.938 10 T CB 1.132 69.814 68.868 -0.311 0.000 1.298 10 T HN -0.197 nan 8.240 nan 0.000 0.580 11 D N -0.129 120.032 120.400 -0.399 0.000 2.339 11 D HA 0.143 4.783 4.640 -0.001 0.000 0.217 11 D C 0.316 176.171 176.300 -0.741 0.000 1.050 11 D CA 0.077 53.669 54.000 -0.680 0.000 0.856 11 D CB -0.092 40.080 40.800 -1.046 0.000 0.922 11 D HN 0.161 nan 8.370 nan 0.000 0.518 12 L N 1.525 122.465 121.223 -0.472 0.000 2.873 12 L HA 0.175 4.515 4.340 -0.001 0.000 0.236 12 L C 0.498 177.298 176.870 -0.117 0.000 1.375 12 L CA 0.226 54.888 54.840 -0.297 0.000 1.239 12 L CB -0.869 40.937 42.059 -0.421 0.000 1.603 12 L HN -0.240 nan 8.230 nan 0.000 0.430 13 T N -1.333 113.116 114.554 -0.175 0.000 2.884 13 T HA 0.476 4.825 4.350 -0.001 0.000 0.277 13 T C 1.497 176.111 174.700 -0.144 0.000 0.976 13 T CA 0.032 62.048 62.100 -0.141 0.000 0.956 13 T CB 1.559 70.351 68.868 -0.127 0.000 1.113 13 T HN 0.287 nan 8.240 nan 0.000 0.554 14 A N 0.448 123.146 122.820 -0.204 0.000 1.858 14 A HA -0.088 4.232 4.320 -0.001 0.000 0.216 14 A C 2.187 179.744 177.584 -0.045 0.000 1.190 14 A CA 1.239 53.182 52.037 -0.157 0.000 0.617 14 A CB -0.589 18.316 19.000 -0.158 0.000 0.827 14 A HN 0.794 nan 8.150 nan 0.000 0.443 15 E N 0.258 120.451 120.200 -0.012 0.000 2.072 15 E HA -0.177 4.173 4.350 -0.001 0.000 0.191 15 E C 1.839 178.449 176.600 0.017 0.000 0.985 15 E CA 1.507 57.915 56.400 0.014 0.000 0.801 15 E CB -0.471 29.244 29.700 0.026 0.000 0.750 15 E HN 0.783 nan 8.360 nan 0.000 0.452 16 N N 0.559 119.265 118.700 0.011 0.000 2.120 16 N HA -0.129 4.611 4.740 -0.001 0.000 0.188 16 N C 2.035 177.621 175.510 0.127 0.000 1.024 16 N CA 0.997 54.100 53.050 0.088 0.000 0.852 16 N CB -0.197 38.265 38.487 -0.042 0.000 1.003 16 N HN 0.081 nan 8.380 nan 0.000 0.424 17 L N -0.090 121.153 121.223 0.034 0.000 2.109 17 L HA -0.024 4.316 4.340 -0.001 0.000 0.207 17 L C 2.111 178.928 176.870 -0.088 0.000 1.086 17 L CA 0.376 55.214 54.840 -0.003 0.000 0.760 17 L CB -0.303 41.725 42.059 -0.051 0.000 0.910 17 L HN 0.206 nan 8.230 nan 0.000 0.437 18 L N 0.915 122.082 121.223 -0.092 0.000 2.083 18 L HA -0.187 4.152 4.340 -0.001 0.000 0.209 18 L C 2.843 179.603 176.870 -0.184 0.000 1.083 18 L CA 1.656 56.394 54.840 -0.169 0.000 0.752 18 L CB -0.513 41.510 42.059 -0.061 0.000 0.899 18 L HN 0.259 nan 8.230 nan 0.000 0.433 19 R N -0.867 119.588 120.500 -0.076 0.000 2.189 19 R HA -0.068 4.271 4.340 -0.001 0.000 0.218 19 R C 1.984 178.249 176.300 -0.059 0.000 1.074 19 R CA 1.199 57.264 56.100 -0.057 0.000 0.991 19 R CB -0.796 29.498 30.300 -0.009 0.000 0.883 19 R HN 0.399 nan 8.270 nan 0.000 0.457 20 L N 1.365 122.572 121.223 -0.026 0.000 2.017 20 L HA -0.055 4.285 4.340 -0.001 0.000 0.208 20 L C -0.379 176.517 176.870 0.043 0.000 1.073 20 L CA 1.229 56.112 54.840 0.071 0.000 0.745 20 L CB -1.513 40.596 42.059 0.083 0.000 0.894 20 L HN 0.201 nan 8.230 nan 0.000 0.432 21 P HA -0.163 nan 4.420 nan 0.000 0.218 21 P C 1.383 178.651 177.300 -0.054 0.000 1.149 21 P CA 1.858 64.901 63.100 -0.094 0.000 0.817 21 P CB 0.031 31.572 31.700 -0.266 0.000 0.785 22 A N 0.305 123.071 122.820 -0.089 0.000 1.898 22 A HA -0.197 4.122 4.320 -0.001 0.000 0.216 22 A C 2.394 179.903 177.584 -0.125 0.000 1.181 22 A CA 1.759 53.755 52.037 -0.068 0.000 0.620 22 A CB -1.238 17.724 19.000 -0.063 0.000 0.819 22 A HN 0.243 nan 8.150 nan 0.000 0.442 23 E N -1.483 118.586 120.200 -0.219 0.000 2.051 23 E HA -0.062 4.288 4.350 -0.001 0.000 0.189 23 E C 1.243 177.522 176.600 -0.535 0.000 0.979 23 E CA 1.037 57.155 56.400 -0.470 0.000 0.803 23 E CB -0.124 29.106 29.700 -0.782 0.000 0.761 23 E HN 0.625 nan 8.360 nan 0.000 0.451 24 F N -0.278 119.633 119.950 -0.064 0.000 2.731 24 F HA 0.374 4.900 4.527 -0.001 0.000 0.298 24 F C 0.854 176.630 175.800 -0.040 0.000 1.106 24 F CA 0.305 58.272 58.000 -0.055 0.000 1.329 24 F CB 1.518 40.476 39.000 -0.070 0.000 1.100 24 F HN 0.200 nan 8.300 nan 0.000 0.592 25 G N -0.119 108.735 108.800 0.090 0.000 2.555 25 G HA2 0.023 3.982 3.960 -0.001 0.000 0.686 25 G HA3 0.023 3.982 3.960 -0.001 0.000 0.686 25 G C -1.770 173.157 174.900 0.044 0.000 1.275 25 G CA -1.063 44.071 45.100 0.057 0.000 0.871 25 G HN 0.307 nan 8.290 nan 0.000 0.603 26 C N 2.239 121.557 119.300 0.031 0.000 2.891 26 C HA 0.860 5.319 4.460 -0.001 0.000 0.342 26 C C -2.177 172.807 174.990 -0.010 0.000 1.126 26 C CA -0.685 58.344 59.018 0.018 0.000 1.322 26 C CB 1.267 29.071 27.740 0.108 0.000 1.763 26 C HN 0.938 nan 8.230 nan 0.000 0.491 27 P HA 0.514 nan 4.420 nan 0.000 0.276 27 P C -1.202 175.984 177.300 -0.190 0.000 1.261 27 P CA -0.175 62.845 63.100 -0.133 0.000 0.800 27 P CB 1.157 32.730 31.700 -0.213 0.000 1.066 28 V N 0.217 119.966 119.914 -0.274 0.000 2.924 28 V HA 0.406 4.526 4.120 -0.001 0.000 0.300 28 V C -1.770 174.137 176.094 -0.311 0.000 1.227 28 V CA -0.757 61.400 62.300 -0.238 0.000 0.954 28 V CB 1.351 33.124 31.823 -0.084 0.000 1.055 28 V HN 0.484 nan 8.190 nan 0.000 0.429 29 W N 4.830 126.069 121.300 -0.102 0.000 2.315 29 W HA 0.690 5.350 4.660 -0.001 0.000 0.316 29 W C -0.257 176.072 176.519 -0.317 0.000 1.211 29 W CA -0.509 56.703 57.345 -0.221 0.000 1.201 29 W CB 1.470 30.831 29.460 -0.165 0.000 1.184 29 W HN 0.462 nan 8.180 nan 0.000 0.544 30 V N 3.751 123.536 119.914 -0.215 0.000 2.656 30 V HA 0.460 4.579 4.120 -0.001 0.000 0.307 30 V C -1.016 174.858 176.094 -0.367 0.000 1.051 30 V CA -1.405 60.774 62.300 -0.202 0.000 0.893 30 V CB 1.238 33.025 31.823 -0.060 0.000 0.999 30 V HN 0.354 nan 8.190 nan 0.000 0.426 31 Y N 1.066 121.402 120.300 0.060 0.000 2.499 31 Y HA 0.593 5.143 4.550 -0.001 0.000 0.347 31 Y C -0.279 175.663 175.900 0.070 0.000 0.987 31 Y CA -1.041 57.086 58.100 0.044 0.000 1.044 31 Y CB 1.798 40.257 38.460 -0.001 0.000 1.245 31 Y HN 0.575 nan 8.280 nan 0.000 0.461 32 D N 1.401 121.905 120.400 0.173 0.000 2.441 32 D HA 0.416 5.056 4.640 -0.001 0.000 0.231 32 D C 0.655 176.982 176.300 0.045 0.000 1.073 32 D CA -0.132 53.924 54.000 0.093 0.000 0.850 32 D CB 1.752 42.528 40.800 -0.041 0.000 1.062 32 D HN 0.717 nan 8.370 nan 0.000 0.524 33 A N 3.870 126.720 122.820 0.050 0.000 1.917 33 A HA -0.268 4.052 4.320 -0.001 0.000 0.219 33 A C 1.878 179.442 177.584 -0.033 0.000 1.182 33 A CA 1.748 53.784 52.037 -0.002 0.000 0.633 33 A CB -0.404 18.598 19.000 0.003 0.000 0.819 33 A HN 0.576 nan 8.150 nan 0.000 0.448 34 Q N -0.247 119.532 119.800 -0.034 0.000 2.167 34 Q HA -0.007 4.333 4.340 -0.001 0.000 0.202 34 Q C 1.715 177.673 176.000 -0.069 0.000 0.970 34 Q CA 1.391 57.163 55.803 -0.052 0.000 0.855 34 Q CB -0.432 28.275 28.738 -0.052 0.000 0.911 34 Q HN 0.735 nan 8.270 nan 0.000 0.438 35 I N -0.378 120.144 120.570 -0.080 0.000 2.286 35 I HA -0.265 3.905 4.170 -0.001 0.000 0.248 35 I C 1.842 177.891 176.117 -0.114 0.000 1.115 35 I CA 0.928 62.168 61.300 -0.099 0.000 1.392 35 I CB -0.252 37.685 38.000 -0.105 0.000 1.065 35 I HN 0.235 nan 8.210 nan 0.000 0.418 36 I N 0.403 120.910 120.570 -0.105 0.000 2.179 36 I HA -0.280 3.890 4.170 -0.001 0.000 0.242 36 I C 2.702 178.746 176.117 -0.122 0.000 1.088 36 I CA 1.369 62.586 61.300 -0.138 0.000 1.357 36 I CB -0.477 37.430 38.000 -0.155 0.000 1.051 36 I HN 0.159 nan 8.210 nan 0.000 0.409 37 R N 0.361 120.806 120.500 -0.091 0.000 2.091 37 R HA -0.187 4.152 4.340 -0.001 0.000 0.238 37 R C 2.455 178.722 176.300 -0.055 0.000 1.136 37 R CA 1.292 57.352 56.100 -0.067 0.000 0.959 37 R CB -0.471 29.798 30.300 -0.052 0.000 0.856 37 R HN 0.370 nan 8.270 nan 0.000 0.437 38 R N 0.871 121.332 120.500 -0.065 0.000 2.073 38 R HA -0.161 4.179 4.340 -0.001 0.000 0.234 38 R C 2.037 178.303 176.300 -0.056 0.000 1.134 38 R CA 1.480 57.547 56.100 -0.055 0.000 0.952 38 R CB 0.026 30.285 30.300 -0.068 0.000 0.850 38 R HN 0.196 nan 8.270 nan 0.000 0.433 39 Q N 0.476 120.203 119.800 -0.121 0.000 2.124 39 Q HA -0.134 4.206 4.340 -0.001 0.000 0.202 39 Q C 2.235 178.264 176.000 0.049 0.000 0.977 39 Q CA 1.334 57.043 55.803 -0.156 0.000 0.850 39 Q CB -0.208 28.294 28.738 -0.394 0.000 0.901 39 Q HN 0.480 nan 8.270 nan 0.000 0.429 40 I N 0.697 121.268 120.570 0.002 0.000 2.226 40 I HA -0.249 3.920 4.170 -0.001 0.000 0.245 40 I C 2.287 178.441 176.117 0.063 0.000 1.100 40 I CA 1.081 62.401 61.300 0.034 0.000 1.374 40 I CB -0.373 37.617 38.000 -0.018 0.000 1.057 40 I HN 0.060 nan 8.210 nan 0.000 0.413 41 A N 0.611 123.456 122.820 0.043 0.000 1.969 41 A HA -0.081 4.239 4.320 -0.001 0.000 0.218 41 A C 2.480 180.112 177.584 0.079 0.000 1.169 41 A CA 1.523 53.588 52.037 0.046 0.000 0.635 41 A CB -0.688 18.326 19.000 0.022 0.000 0.810 41 A HN 0.421 nan 8.150 nan 0.000 0.445 42 A N -0.701 122.195 122.820 0.126 0.000 2.125 42 A HA 0.141 4.460 4.320 -0.001 0.000 0.219 42 A C 1.562 179.254 177.584 0.180 0.000 1.156 42 A CA 1.006 53.146 52.037 0.172 0.000 0.671 42 A CB -0.379 18.791 19.000 0.284 0.000 0.794 42 A HN 0.453 nan 8.150 nan 0.000 0.459 43 L N -0.379 120.952 121.223 0.180 0.000 2.928 43 L HA 0.097 4.437 4.340 -0.001 0.000 0.246 43 L C 1.769 178.776 176.870 0.228 0.000 1.239 43 L CA 0.115 55.091 54.840 0.227 0.000 1.035 43 L CB 0.058 42.176 42.059 0.098 0.000 1.360 43 L HN 0.509 nan 8.230 nan 0.000 0.529 44 K N -0.565 119.902 120.400 0.113 0.000 2.280 44 K HA -0.183 4.137 4.320 -0.001 0.000 0.202 44 K C 1.442 178.028 176.600 -0.024 0.000 1.047 44 K CA 1.138 57.454 56.287 0.049 0.000 0.942 44 K CB -0.047 32.460 32.500 0.013 0.000 0.739 44 K HN 0.398 nan 8.250 nan 0.000 0.457 45 Q N 0.302 120.014 119.800 -0.148 0.000 2.170 45 Q HA -0.018 4.321 4.340 -0.001 0.000 0.203 45 Q C -0.059 175.669 176.000 -0.453 0.000 0.976 45 Q CA 0.687 56.157 55.803 -0.555 0.000 0.858 45 Q CB -0.152 27.828 28.738 -1.264 0.000 0.907 45 Q HN 0.230 nan 8.270 nan 0.000 0.433 46 F N 1.536 121.434 119.950 -0.087 0.000 2.518 46 F HA -0.060 4.467 4.527 -0.000 0.000 0.359 46 F C 1.337 177.179 175.800 0.070 0.000 1.118 46 F CA -0.108 57.955 58.000 0.104 0.000 1.287 46 F CB 0.463 39.534 39.000 0.117 0.000 1.132 46 F HN -0.052 nan 8.300 nan 0.000 0.587 47 D N 1.088 121.644 120.400 0.260 0.000 2.104 47 D HA -0.091 4.549 4.640 -0.001 0.000 0.194 47 D C 0.243 176.640 176.300 0.162 0.000 0.994 47 D CA 1.501 55.605 54.000 0.174 0.000 0.830 47 D CB 0.061 40.963 40.800 0.170 0.000 0.959 47 D HN 0.071 nan 8.370 nan 0.000 0.452 48 V N 1.011 121.039 119.914 0.191 0.000 2.638 48 V HA 0.255 4.375 4.120 -0.001 0.000 0.306 48 V C -0.241 175.909 176.094 0.094 0.000 1.052 48 V CA -0.769 61.607 62.300 0.127 0.000 0.885 48 V CB 2.808 34.698 31.823 0.112 0.000 0.999 48 V HN -0.254 nan 8.190 nan 0.000 0.424 49 V N 5.432 125.381 119.914 0.059 0.000 2.328 49 V HA 0.471 4.591 4.120 -0.001 0.000 0.278 49 V C 0.221 176.320 176.094 0.009 0.000 1.021 49 V CA -0.542 61.761 62.300 0.005 0.000 0.838 49 V CB 1.301 33.138 31.823 0.022 0.000 0.999 49 V HN 0.809 nan 8.190 nan 0.000 0.447 50 R N 4.704 125.182 120.500 -0.036 0.000 2.247 50 R HA 0.348 4.688 4.340 -0.001 0.000 0.329 50 R C -0.677 175.613 176.300 -0.017 0.000 1.014 50 R CA -0.679 55.390 56.100 -0.052 0.000 0.907 50 R CB 0.494 30.709 30.300 -0.141 0.000 1.146 50 R HN 0.555 nan 8.270 nan 0.000 0.499 51 F N 3.556 123.434 119.950 -0.120 0.000 2.578 51 F HA 0.188 4.715 4.527 -0.001 0.000 0.381 51 F C -0.068 175.644 175.800 -0.147 0.000 1.069 51 F CA -0.765 57.168 58.000 -0.111 0.000 1.231 51 F CB 0.673 39.627 39.000 -0.077 0.000 1.086 51 F HN 0.588 nan 8.300 nan 0.000 0.564 52 A N 6.988 129.435 122.820 -0.622 0.000 2.671 52 A HA 0.181 4.500 4.320 -0.001 0.000 0.306 52 A C 1.157 178.010 177.584 -1.218 0.000 1.473 52 A CA -0.078 51.534 52.037 -0.708 0.000 1.155 52 A CB -0.665 18.074 19.000 -0.434 0.000 1.123 52 A HN 0.941 nan 8.150 nan 0.000 0.545 53 Q N 2.924 122.095 119.800 -1.048 0.000 2.439 53 Q HA -0.221 4.119 4.340 -0.001 0.000 0.211 53 Q C 1.360 177.057 176.000 -0.505 0.000 0.978 53 Q CA 1.692 56.950 55.803 -0.908 0.000 0.897 53 Q CB -0.500 28.022 28.738 -0.359 0.000 0.956 53 Q HN 0.827 nan 8.270 nan 0.000 0.483 54 K N 0.040 120.206 120.400 -0.391 0.000 2.360 54 K HA 0.005 4.324 4.320 -0.001 0.000 0.201 54 K C 1.834 178.295 176.600 -0.232 0.000 1.046 54 K CA 1.120 57.292 56.287 -0.191 0.000 0.945 54 K CB -0.139 32.319 32.500 -0.070 0.000 0.750 54 K HN 0.225 nan 8.250 nan 0.000 0.464 55 A N 0.421 122.962 122.820 -0.464 0.000 2.014 55 A HA 0.027 4.347 4.320 -0.001 0.000 0.218 55 A C 0.821 178.175 177.584 -0.384 0.000 1.163 55 A CA 0.776 52.345 52.037 -0.780 0.000 0.652 55 A CB -0.258 18.363 19.000 -0.631 0.000 0.808 55 A HN 0.529 nan 8.150 nan 0.000 0.449 56 C N -1.255 117.956 119.300 -0.148 0.000 3.098 56 C HA 0.457 4.917 4.460 -0.001 0.000 0.391 56 C C 0.572 175.573 174.990 0.018 0.000 1.088 56 C CA -0.116 58.870 59.018 -0.053 0.000 1.294 56 C CB -0.163 27.582 27.740 0.008 0.000 1.677 56 C HN 0.244 nan 8.230 nan 0.000 0.510 57 S N 2.745 118.411 115.700 -0.057 0.000 2.540 57 S HA 0.092 4.562 4.470 -0.001 0.000 0.218 57 S C 0.598 175.177 174.600 -0.035 0.000 0.977 57 S CA -0.162 58.021 58.200 -0.027 0.000 0.918 57 S CB -0.216 62.954 63.200 -0.051 0.000 0.806 57 S HN 0.874 nan 8.310 nan 0.000 0.496 58 N N 2.880 121.530 118.700 -0.083 0.000 2.292 58 N HA -0.047 4.692 4.740 -0.001 0.000 0.258 58 N C 1.279 176.747 175.510 -0.069 0.000 1.261 58 N CA 0.169 53.175 53.050 -0.074 0.000 0.845 58 N CB 0.406 38.824 38.487 -0.114 0.000 1.064 58 N HN 0.436 nan 8.380 nan 0.000 0.471 59 I N 1.757 122.264 120.570 -0.104 0.000 2.454 59 I HA -0.225 3.945 4.170 -0.001 0.000 0.254 59 I C 1.051 177.022 176.117 -0.244 0.000 1.156 59 I CA 1.203 62.401 61.300 -0.170 0.000 1.433 59 I CB -0.425 37.440 38.000 -0.225 0.000 1.082 59 I HN 0.506 nan 8.210 nan 0.000 0.432 60 H N 1.134 120.167 119.070 -0.062 0.000 2.428 60 H HA 0.105 4.661 4.556 -0.001 0.000 0.296 60 H C 2.216 177.481 175.328 -0.105 0.000 1.062 60 H CA 1.757 57.759 56.048 -0.077 0.000 1.350 60 H CB -0.016 29.698 29.762 -0.079 0.000 1.403 60 H HN 0.335 nan 8.280 nan 0.000 0.533 61 I N 0.166 120.707 120.570 -0.048 0.000 2.500 61 I HA -0.185 3.985 4.170 -0.001 0.000 0.252 61 I C 1.650 177.707 176.117 -0.100 0.000 1.142 61 I CA 0.674 61.892 61.300 -0.136 0.000 1.451 61 I CB 0.004 37.847 38.000 -0.261 0.000 1.093 61 I HN 0.235 nan 8.210 nan 0.000 0.430 62 L N 0.038 121.246 121.223 -0.024 0.000 2.046 62 L HA -0.186 4.154 4.340 -0.001 0.000 0.208 62 L C 2.685 179.566 176.870 0.018 0.000 1.077 62 L CA 1.359 56.247 54.840 0.079 0.000 0.747 62 L CB -0.620 41.532 42.059 0.154 0.000 0.896 62 L HN 0.173 nan 8.230 nan 0.000 0.432 63 R N -0.156 120.309 120.500 -0.058 0.000 2.081 63 R HA -0.194 4.145 4.340 -0.001 0.000 0.235 63 R C 2.238 178.482 176.300 -0.093 0.000 1.131 63 R CA 1.313 57.349 56.100 -0.106 0.000 0.960 63 R CB -0.456 29.794 30.300 -0.084 0.000 0.856 63 R HN 0.179 nan 8.270 nan 0.000 0.436 64 L N 0.549 121.729 121.223 -0.072 0.000 2.042 64 L HA -0.195 4.144 4.340 -0.001 0.000 0.210 64 L C 2.017 178.834 176.870 -0.088 0.000 1.076 64 L CA 1.812 56.605 54.840 -0.079 0.000 0.749 64 L CB -0.325 41.680 42.059 -0.089 0.000 0.893 64 L HN 0.129 nan 8.230 nan 0.000 0.432 65 M N -0.483 119.061 119.600 -0.093 0.000 2.065 65 M HA -0.251 4.228 4.480 -0.001 0.000 0.259 65 M C 2.537 178.835 176.300 -0.003 0.000 1.069 65 M CA 2.016 57.279 55.300 -0.061 0.000 1.110 65 M CB -1.349 31.243 32.600 -0.014 0.000 1.328 65 M HN 0.364 nan 8.290 nan 0.000 0.405 66 R N 0.488 120.967 120.500 -0.036 0.000 2.096 66 R HA -0.160 4.180 4.340 -0.001 0.000 0.235 66 R C 1.942 178.174 176.300 -0.114 0.000 1.127 66 R CA 1.669 57.680 56.100 -0.149 0.000 0.968 66 R CB -0.097 29.839 30.300 -0.607 0.000 0.861 66 R HN 0.457 nan 8.270 nan 0.000 0.440 67 E N -0.196 119.941 120.200 -0.104 0.000 2.160 67 E HA -0.196 4.153 4.350 -0.001 0.000 0.195 67 E C 1.591 178.162 176.600 -0.049 0.000 0.991 67 E CA 0.956 57.312 56.400 -0.073 0.000 0.810 67 E CB 0.124 29.786 29.700 -0.063 0.000 0.742 67 E HN 0.378 nan 8.360 nan 0.000 0.466 68 Q N -0.833 118.942 119.800 -0.042 0.000 2.365 68 Q HA 0.066 4.406 4.340 -0.001 0.000 0.203 68 Q C 0.973 176.967 176.000 -0.010 0.000 0.929 68 Q CA 0.704 56.491 55.803 -0.027 0.000 0.948 68 Q CB 1.258 29.976 28.738 -0.035 0.000 1.043 68 Q HN 0.419 nan 8.270 nan 0.000 0.505 69 G N 0.434 109.231 108.800 -0.005 0.000 2.136 69 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.242 69 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.242 69 G C 0.147 175.075 174.900 0.047 0.000 0.989 69 G CA 0.207 45.314 45.100 0.011 0.000 0.682 69 G HN 0.232 nan 8.290 nan 0.000 0.522 70 V N 1.098 121.051 119.914 0.066 0.000 2.498 70 V HA 0.416 4.536 4.120 -0.001 0.000 0.279 70 V C 0.948 177.154 176.094 0.187 0.000 1.048 70 V CA -0.143 62.214 62.300 0.095 0.000 0.967 70 V CB 1.423 33.283 31.823 0.062 0.000 0.988 70 V HN 0.373 nan 8.190 nan 0.000 0.473 71 K N 2.718 123.188 120.400 0.116 0.000 2.399 71 K HA 0.757 5.077 4.320 -0.001 0.000 0.247 71 K C -0.938 175.603 176.600 -0.099 0.000 1.036 71 K CA -0.665 55.650 56.287 0.046 0.000 0.977 71 K CB 1.674 34.175 32.500 0.002 0.000 1.272 71 K HN 0.391 nan 8.250 nan 0.000 0.501 72 V N 0.584 120.292 119.914 -0.345 0.000 2.841 72 V HA 0.202 4.321 4.120 -0.001 0.000 0.310 72 V C -1.839 174.068 176.094 -0.312 0.000 1.090 72 V CA -0.667 61.428 62.300 -0.341 0.000 0.930 72 V CB 2.133 33.618 31.823 -0.564 0.000 1.014 72 V HN 0.741 nan 8.190 nan 0.000 0.425 73 D N 3.161 123.385 120.400 -0.293 0.000 2.256 73 D HA 0.587 5.226 4.640 -0.001 0.000 0.240 73 D C -0.604 175.527 176.300 -0.283 0.000 1.062 73 D CA 0.205 54.018 54.000 -0.311 0.000 0.832 73 D CB 1.759 42.346 40.800 -0.354 0.000 1.135 73 D HN 0.520 nan 8.370 nan 0.000 0.484 74 S N 1.751 117.322 115.700 -0.215 0.000 2.472 74 S HA 0.356 4.826 4.470 -0.001 0.000 0.303 74 S C 0.793 175.294 174.600 -0.164 0.000 1.099 74 S CA -0.798 57.328 58.200 -0.124 0.000 1.077 74 S CB 1.695 64.903 63.200 0.012 0.000 1.031 74 S HN 0.460 nan 8.310 nan 0.000 0.487 75 V N 0.003 119.832 119.914 -0.141 0.000 3.380 75 V HA 0.492 4.612 4.120 -0.001 0.000 0.307 75 V C 0.186 176.301 176.094 0.036 0.000 1.434 75 V CA 0.084 62.244 62.300 -0.234 0.000 1.075 75 V CB -0.673 31.017 31.823 -0.222 0.000 0.954 75 V HN 0.763 nan 8.190 nan 0.000 0.444 76 S N -0.892 114.959 115.700 0.252 0.000 2.615 76 S HA 0.559 5.028 4.470 -0.001 0.000 0.269 76 S C -0.016 174.705 174.600 0.200 0.000 1.161 76 S CA -0.040 58.335 58.200 0.291 0.000 0.817 76 S CB 1.973 65.242 63.200 0.115 0.000 1.131 76 S HN 0.256 nan 8.310 nan 0.000 0.467 77 L N 2.128 123.386 121.223 0.058 0.000 2.083 77 L HA 0.224 4.564 4.340 -0.001 0.000 0.209 77 L C 2.314 179.183 176.870 -0.001 0.000 1.083 77 L CA 2.782 57.599 54.840 -0.038 0.000 0.752 77 L CB -1.340 40.676 42.059 -0.072 0.000 0.899 77 L HN 1.028 nan 8.230 nan 0.000 0.433 78 G N -1.116 107.694 108.800 0.016 0.000 2.440 78 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.218 78 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.218 78 G C 1.458 176.366 174.900 0.012 0.000 1.154 78 G CA 0.832 45.939 45.100 0.012 0.000 0.767 78 G HN 0.548 nan 8.290 nan 0.000 0.552 79 E N -0.123 120.090 120.200 0.022 0.000 2.150 79 E HA -0.011 4.339 4.350 -0.001 0.000 0.193 79 E C 2.498 179.104 176.600 0.009 0.000 0.985 79 E CA 0.239 56.641 56.400 0.004 0.000 0.814 79 E CB -0.083 29.608 29.700 -0.014 0.000 0.752 79 E HN 0.499 nan 8.360 nan 0.000 0.466 80 I N 1.493 122.081 120.570 0.030 0.000 2.179 80 I HA -0.252 3.918 4.170 -0.001 0.000 0.242 80 I C 2.290 178.415 176.117 0.013 0.000 1.088 80 I CA 0.989 62.300 61.300 0.019 0.000 1.357 80 I CB -0.153 37.848 38.000 0.001 0.000 1.051 80 I HN 0.024 nan 8.210 nan 0.000 0.409 81 E N 0.775 120.978 120.200 0.006 0.000 2.106 81 E HA -0.183 4.167 4.350 -0.001 0.000 0.192 81 E C 2.249 178.857 176.600 0.013 0.000 0.984 81 E CA 1.004 57.408 56.400 0.007 0.000 0.806 81 E CB -0.307 29.392 29.700 -0.001 0.000 0.750 81 E HN 0.478 nan 8.360 nan 0.000 0.458 82 R N 0.603 121.110 120.500 0.011 0.000 2.083 82 R HA -0.096 4.244 4.340 -0.001 0.000 0.237 82 R C 2.393 178.721 176.300 0.046 0.000 1.137 82 R CA 1.414 57.520 56.100 0.011 0.000 0.951 82 R CB -0.404 29.897 30.300 0.002 0.000 0.851 82 R HN 0.143 nan 8.270 nan 0.000 0.434 83 A N 1.202 124.061 122.820 0.064 0.000 1.908 83 A HA -0.152 4.167 4.320 -0.001 0.000 0.218 83 A C 2.196 179.908 177.584 0.214 0.000 1.181 83 A CA 1.280 53.413 52.037 0.160 0.000 0.627 83 A CB -0.596 18.415 19.000 0.018 0.000 0.818 83 A HN 0.194 nan 8.150 nan 0.000 0.445 84 L N -0.839 120.451 121.223 0.111 0.000 2.083 84 L HA -0.185 4.154 4.340 -0.001 0.000 0.209 84 L C 3.027 179.927 176.870 0.049 0.000 1.083 84 L CA 1.040 55.932 54.840 0.087 0.000 0.752 84 L CB -0.584 41.504 42.059 0.048 0.000 0.899 84 L HN 0.427 nan 8.230 nan 0.000 0.433 85 A N 0.037 122.873 122.820 0.026 0.000 2.019 85 A HA -0.053 4.267 4.320 -0.001 0.000 0.219 85 A C 2.299 179.859 177.584 -0.039 0.000 1.164 85 A CA 1.512 53.540 52.037 -0.014 0.000 0.644 85 A CB -0.496 18.485 19.000 -0.032 0.000 0.805 85 A HN 0.393 nan 8.150 nan 0.000 0.449 86 A N -1.983 120.832 122.820 -0.009 0.000 2.251 86 A HA 0.435 4.755 4.320 -0.001 0.000 0.209 86 A C 1.666 179.170 177.584 -0.132 0.000 1.187 86 A CA 1.104 53.106 52.037 -0.060 0.000 0.823 86 A CB -0.773 18.237 19.000 0.017 0.000 0.846 86 A HN 1.792 nan 8.150 nan 0.000 0.486 87 G N -2.217 106.538 108.800 -0.075 0.000 2.176 87 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.232 87 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.232 87 G C 0.021 174.858 174.900 -0.106 0.000 0.986 87 G CA 0.050 45.089 45.100 -0.103 0.000 0.643 87 G HN 0.424 nan 8.290 nan 0.000 0.522 88 Y N 0.709 121.021 120.300 0.019 0.000 2.497 88 Y HA 0.466 5.015 4.550 -0.001 0.000 0.334 88 Y C 0.858 176.785 175.900 0.045 0.000 1.199 88 Y CA 0.307 58.432 58.100 0.041 0.000 1.425 88 Y CB 0.811 39.291 38.460 0.033 0.000 1.291 88 Y HN 0.152 nan 8.280 nan 0.000 0.562 89 N N 4.208 123.048 118.700 0.234 0.000 2.577 89 N HA 0.278 5.017 4.740 -0.001 0.000 0.275 89 N C -2.528 173.049 175.510 0.112 0.000 1.091 89 N CA -2.362 50.764 53.050 0.127 0.000 0.843 89 N CB 1.806 40.336 38.487 0.071 0.000 1.295 89 N HN 0.139 nan 8.380 nan 0.000 0.530 90 P HA -0.112 nan 4.420 nan 0.000 0.220 90 P C 1.162 178.478 177.300 0.027 0.000 1.148 90 P CA 0.857 63.997 63.100 0.067 0.000 0.803 90 P CB 0.583 32.315 31.700 0.054 0.000 0.782 91 Q N -0.160 119.640 119.800 -0.000 0.000 2.083 91 Q HA -0.096 4.244 4.340 -0.001 0.000 0.198 91 Q C 1.896 177.848 176.000 -0.079 0.000 0.969 91 Q CA 2.406 58.191 55.803 -0.030 0.000 0.838 91 Q CB -0.743 27.979 28.738 -0.028 0.000 0.900 91 Q HN 0.311 nan 8.270 nan 0.000 0.436 92 T N -2.045 112.417 114.554 -0.152 0.000 2.937 92 T HA -0.003 4.346 4.350 -0.001 0.000 0.260 92 T C 0.597 174.988 174.700 -0.514 0.000 1.051 92 T CA 0.513 62.397 62.100 -0.360 0.000 1.141 92 T CB -0.084 68.486 68.868 -0.497 0.000 0.879 92 T HN 0.165 nan 8.240 nan 0.000 0.459 93 H N 1.278 120.377 119.070 0.048 0.000 2.791 93 H HA 0.345 4.900 4.556 -0.001 0.000 0.272 93 H C -2.355 173.012 175.328 0.065 0.000 1.188 93 H CA -2.425 53.659 56.048 0.060 0.000 1.436 93 H CB 1.708 31.517 29.762 0.079 0.000 1.467 93 H HN 0.166 nan 8.280 nan 0.000 0.500 94 P HA -0.085 nan 4.420 nan 0.000 0.222 94 P C 0.708 178.078 177.300 0.117 0.000 1.147 94 P CA 1.104 64.263 63.100 0.098 0.000 0.790 94 P CB 0.564 32.302 31.700 0.063 0.000 0.780 95 D N -1.593 118.891 120.400 0.140 0.000 2.363 95 D HA 0.009 4.649 4.640 -0.001 0.000 0.214 95 D C 0.697 177.055 176.300 0.098 0.000 1.093 95 D CA 0.219 54.301 54.000 0.137 0.000 0.837 95 D CB 0.005 40.904 40.800 0.165 0.000 0.948 95 D HN 0.087 nan 8.370 nan 0.000 0.507 96 D N 0.384 120.851 120.400 0.113 0.000 2.183 96 D HA 0.040 4.679 4.640 -0.001 0.000 0.203 96 D C 0.693 176.932 176.300 -0.102 0.000 0.969 96 D CA 0.767 54.816 54.000 0.081 0.000 0.842 96 D CB 0.689 41.647 40.800 0.262 0.000 0.957 96 D HN 0.284 nan 8.370 nan 0.000 0.484 97 I N 0.609 121.139 120.570 -0.066 0.000 2.433 97 I HA 0.253 4.423 4.170 -0.001 0.000 0.292 97 I C -0.704 175.379 176.117 -0.055 0.000 1.001 97 I CA -0.791 60.431 61.300 -0.130 0.000 1.119 97 I CB 2.585 40.541 38.000 -0.075 0.000 1.289 97 I HN -0.386 nan 8.210 nan 0.000 0.438 98 V N 6.167 126.011 119.914 -0.117 0.000 2.495 98 V HA 0.324 4.444 4.120 -0.001 0.000 0.298 98 V C -0.639 175.401 176.094 -0.089 0.000 1.031 98 V CA -0.695 61.539 62.300 -0.110 0.000 0.871 98 V CB 1.890 33.528 31.823 -0.310 0.000 0.988 98 V HN 0.461 nan 8.190 nan 0.000 0.432 99 F N 4.047 123.926 119.950 -0.118 0.000 2.411 99 F HA 0.617 5.143 4.527 -0.001 0.000 0.355 99 F C 0.292 176.004 175.800 -0.147 0.000 1.117 99 F CA 0.133 58.063 58.000 -0.118 0.000 1.139 99 F CB 1.030 39.992 39.000 -0.065 0.000 1.120 99 F HN 0.468 nan 8.300 nan 0.000 0.493 100 T N 6.130 120.075 114.554 -1.014 0.000 2.809 100 T HA 0.850 5.200 4.350 -0.001 0.000 0.284 100 T C -0.702 173.468 174.700 -0.883 0.000 0.992 100 T CA -0.438 61.176 62.100 -0.809 0.000 0.957 100 T CB 1.157 69.656 68.868 -0.615 0.000 0.942 100 T HN 0.899 nan 8.240 nan 0.000 0.439 101 A N 2.147 124.601 122.820 -0.611 0.000 2.540 101 A HA 0.654 4.973 4.320 -0.001 0.000 0.291 101 A C -0.470 177.051 177.584 -0.105 0.000 1.083 101 A CA -0.654 51.186 52.037 -0.327 0.000 0.650 101 A CB 0.694 19.511 19.000 -0.306 0.000 1.292 101 A HN 0.584 nan 8.150 nan 0.000 0.435 102 D N -0.630 119.771 120.400 0.001 0.000 2.346 102 D HA 0.223 4.863 4.640 -0.001 0.000 0.206 102 D C 0.802 177.133 176.300 0.051 0.000 1.001 102 D CA 1.834 55.863 54.000 0.048 0.000 0.871 102 D CB 0.725 41.572 40.800 0.079 0.000 0.943 102 D HN 0.804 nan 8.370 nan 0.000 0.518 103 V N -1.826 118.126 119.914 0.063 0.000 3.160 103 V HA 0.663 4.782 4.120 -0.001 0.000 0.310 103 V C -0.907 175.271 176.094 0.140 0.000 1.181 103 V CA -1.104 61.242 62.300 0.078 0.000 1.047 103 V CB 3.091 34.949 31.823 0.058 0.000 1.068 103 V HN -0.103 nan 8.190 nan 0.000 0.441 104 I N 2.052 122.688 120.570 0.111 0.000 2.607 104 I HA 0.598 4.768 4.170 -0.001 0.000 0.290 104 I C -1.412 174.720 176.117 0.024 0.000 1.129 104 I CA -0.260 61.104 61.300 0.108 0.000 1.042 104 I CB 2.012 40.069 38.000 0.094 0.000 1.242 104 I HN 1.124 nan 8.210 nan 0.000 0.421 105 D N 4.722 125.118 120.400 -0.007 0.000 2.437 105 D HA 0.199 4.839 4.640 -0.001 0.000 0.259 105 D C 0.590 176.857 176.300 -0.055 0.000 1.118 105 D CA -0.413 53.573 54.000 -0.022 0.000 1.017 105 D CB 0.879 41.672 40.800 -0.012 0.000 1.120 105 D HN 0.444 nan 8.370 nan 0.000 0.541 106 Q N 0.603 120.377 119.800 -0.044 0.000 2.077 106 Q HA -0.173 4.166 4.340 -0.001 0.000 0.206 106 Q C 1.944 177.905 176.000 -0.066 0.000 0.989 106 Q CA 2.795 58.568 55.803 -0.050 0.000 0.853 106 Q CB -0.939 27.779 28.738 -0.033 0.000 0.907 106 Q HN 0.643 nan 8.270 nan 0.000 0.418 107 A N -0.978 121.803 122.820 -0.063 0.000 1.933 107 A HA -0.185 4.135 4.320 -0.001 0.000 0.218 107 A C 2.291 179.806 177.584 -0.115 0.000 1.175 107 A CA 2.048 54.042 52.037 -0.072 0.000 0.628 107 A CB -0.990 17.976 19.000 -0.056 0.000 0.814 107 A HN 0.516 nan 8.150 nan 0.000 0.444 108 T N 0.388 114.845 114.554 -0.162 0.000 2.777 108 T HA -0.057 4.293 4.350 -0.001 0.000 0.266 108 T C 1.826 176.357 174.700 -0.282 0.000 1.040 108 T CA 1.318 63.243 62.100 -0.292 0.000 1.141 108 T CB -0.399 68.204 68.868 -0.443 0.000 0.868 108 T HN 0.349 nan 8.240 nan 0.000 0.444 109 L N 0.864 121.964 121.223 -0.205 0.000 2.013 109 L HA -0.196 4.144 4.340 -0.001 0.000 0.212 109 L C 2.795 179.589 176.870 -0.127 0.000 1.073 109 L CA 1.639 56.379 54.840 -0.167 0.000 0.753 109 L CB -0.567 41.422 42.059 -0.117 0.000 0.890 109 L HN 0.360 nan 8.230 nan 0.000 0.432 110 E N -0.731 119.410 120.200 -0.098 0.000 2.077 110 E HA -0.257 4.093 4.350 -0.001 0.000 0.193 110 E C 2.262 178.825 176.600 -0.062 0.000 0.989 110 E CA 0.909 57.269 56.400 -0.065 0.000 0.800 110 E CB -0.053 29.616 29.700 -0.052 0.000 0.746 110 E HN 0.228 nan 8.360 nan 0.000 0.452 111 R N 1.005 121.451 120.500 -0.091 0.000 2.066 111 R HA -0.117 4.222 4.340 -0.001 0.000 0.232 111 R C 2.398 178.660 176.300 -0.063 0.000 1.131 111 R CA 1.410 57.462 56.100 -0.080 0.000 0.955 111 R CB -0.617 29.620 30.300 -0.106 0.000 0.851 111 R HN 0.226 nan 8.270 nan 0.000 0.432 112 V N -2.102 117.749 119.914 -0.104 0.000 2.667 112 V HA -0.071 4.048 4.120 -0.001 0.000 0.252 112 V C 1.799 177.965 176.094 0.121 0.000 1.065 112 V CA 1.941 64.228 62.300 -0.020 0.000 1.083 112 V CB -0.451 31.317 31.823 -0.092 0.000 0.692 112 V HN 0.185 nan 8.190 nan 0.000 0.468 113 S N 0.526 116.260 115.700 0.056 0.000 2.355 113 S HA -0.202 4.268 4.470 -0.001 0.000 0.222 113 S C 1.934 176.585 174.600 0.085 0.000 1.031 113 S CA 1.792 60.066 58.200 0.124 0.000 0.993 113 S CB -0.419 62.804 63.200 0.040 0.000 0.859 113 S HN 0.872 nan 8.310 nan 0.000 0.453 114 E N 1.073 121.293 120.200 0.034 0.000 2.070 114 E HA -0.171 4.179 4.350 -0.001 0.000 0.197 114 E C 1.604 178.217 176.600 0.022 0.000 1.004 114 E CA 1.144 57.555 56.400 0.018 0.000 0.805 114 E CB -0.167 29.533 29.700 0.000 0.000 0.744 114 E HN 0.443 nan 8.360 nan 0.000 0.451 115 L N 0.107 121.347 121.223 0.029 0.000 2.567 115 L HA 0.063 4.403 4.340 -0.001 0.000 0.225 115 L C 0.323 177.211 176.870 0.031 0.000 1.119 115 L CA -0.069 54.787 54.840 0.026 0.000 0.871 115 L CB 0.268 42.341 42.059 0.024 0.000 1.036 115 L HN 0.141 nan 8.230 nan 0.000 0.459 116 Q N 0.746 120.576 119.800 0.050 0.000 2.463 116 Q HA -0.178 4.162 4.340 -0.001 0.000 0.299 116 Q C -0.303 175.706 176.000 0.015 0.000 1.353 116 Q CA 0.898 56.694 55.803 -0.013 0.000 0.828 116 Q CB -1.878 26.819 28.738 -0.068 0.000 1.157 116 Q HN 0.476 nan 8.270 nan 0.000 0.436 117 I N 2.037 122.680 120.570 0.122 0.000 2.352 117 I HA 0.124 4.294 4.170 -0.001 0.000 0.290 117 I C -1.697 174.590 176.117 0.283 0.000 1.036 117 I CA -1.874 59.516 61.300 0.150 0.000 1.336 117 I CB 0.813 38.886 38.000 0.123 0.000 1.407 117 I HN -0.097 nan 8.210 nan 0.000 0.497 118 P HA -0.019 nan 4.420 nan 0.000 0.264 118 P C -0.720 176.776 177.300 0.327 0.000 1.183 118 P CA 0.093 63.372 63.100 0.299 0.000 0.763 118 P CB 0.424 32.299 31.700 0.293 0.000 0.807 119 V N 3.935 124.072 119.914 0.372 0.000 2.417 119 V HA 0.274 4.394 4.120 -0.001 0.000 0.291 119 V C 0.434 176.659 176.094 0.218 0.000 1.024 119 V CA -0.566 61.896 62.300 0.271 0.000 0.861 119 V CB 1.417 33.358 31.823 0.196 0.000 0.985 119 V HN 0.490 nan 8.190 nan 0.000 0.436 120 N N 4.323 123.053 118.700 0.051 0.000 2.558 120 N HA 0.397 5.136 4.740 -0.001 0.000 0.233 120 N C -0.164 175.314 175.510 -0.053 0.000 1.038 120 N CA -0.205 52.835 53.050 -0.016 0.000 0.934 120 N CB 1.345 39.623 38.487 -0.349 0.000 1.175 120 N HN 0.806 nan 8.380 nan 0.000 0.512 121 A N 1.961 124.809 122.820 0.047 0.000 2.366 121 A HA 0.562 4.882 4.320 -0.001 0.000 0.272 121 A C 1.117 178.719 177.584 0.031 0.000 1.135 121 A CA -0.254 51.807 52.037 0.040 0.000 0.804 121 A CB 0.384 19.429 19.000 0.075 0.000 1.064 121 A HN 0.677 nan 8.150 nan 0.000 0.499 122 G N 0.823 109.639 108.800 0.026 0.000 3.453 122 G HA2 0.450 4.410 3.960 -0.001 0.000 0.263 122 G HA3 0.450 4.410 3.960 -0.001 0.000 0.263 122 G C 0.007 174.951 174.900 0.073 0.000 1.060 122 G CA 0.276 45.409 45.100 0.054 0.000 0.793 122 G HN 0.670 nan 8.290 nan 0.000 0.532 123 S N -1.108 114.631 115.700 0.065 0.000 2.536 123 S HA 0.270 4.739 4.470 -0.001 0.000 0.271 123 S C 0.880 175.519 174.600 0.065 0.000 1.134 123 S CA -0.529 57.710 58.200 0.066 0.000 0.897 123 S CB 2.190 65.423 63.200 0.055 0.000 1.094 123 S HN -0.133 nan 8.310 nan 0.000 0.473 124 V N 1.784 121.739 119.914 0.067 0.000 2.407 124 V HA -0.156 3.964 4.120 -0.001 0.000 0.248 124 V C 1.903 178.038 176.094 0.068 0.000 1.055 124 V CA 1.926 64.269 62.300 0.071 0.000 1.049 124 V CB -0.471 31.394 31.823 0.071 0.000 0.662 124 V HN 0.800 nan 8.190 nan 0.000 0.455 125 D N -0.413 120.021 120.400 0.056 0.000 2.116 125 D HA -0.248 4.392 4.640 -0.001 0.000 0.193 125 D C 2.088 178.414 176.300 0.044 0.000 0.998 125 D CA 1.873 55.902 54.000 0.048 0.000 0.836 125 D CB -0.269 40.553 40.800 0.036 0.000 0.951 125 D HN 0.393 nan 8.370 nan 0.000 0.449 126 M N -0.209 119.419 119.600 0.045 0.000 2.117 126 M HA -0.176 4.303 4.480 -0.001 0.000 0.262 126 M C 2.053 178.375 176.300 0.036 0.000 1.065 126 M CA 1.108 56.433 55.300 0.042 0.000 1.114 126 M CB -0.027 32.608 32.600 0.058 0.000 1.361 126 M HN 0.053 nan 8.290 nan 0.000 0.408 127 L N 0.818 122.075 121.223 0.056 0.000 2.046 127 L HA -0.220 4.119 4.340 -0.001 0.000 0.208 127 L C 1.792 178.698 176.870 0.060 0.000 1.077 127 L CA 2.301 57.181 54.840 0.068 0.000 0.747 127 L CB -0.767 41.351 42.059 0.097 0.000 0.896 127 L HN 0.377 nan 8.230 nan 0.000 0.432 128 D N -1.416 119.029 120.400 0.076 0.000 2.117 128 D HA -0.207 4.433 4.640 -0.001 0.000 0.198 128 D C 2.155 178.419 176.300 -0.060 0.000 0.982 128 D CA 1.263 55.318 54.000 0.092 0.000 0.828 128 D CB 0.044 40.926 40.800 0.137 0.000 0.967 128 D HN 0.461 nan 8.370 nan 0.000 0.464 129 Q N -0.573 119.206 119.800 -0.036 0.000 2.084 129 Q HA -0.127 4.212 4.340 -0.001 0.000 0.202 129 Q C 2.134 178.062 176.000 -0.119 0.000 0.978 129 Q CA 1.020 56.785 55.803 -0.064 0.000 0.844 129 Q CB -0.167 28.553 28.738 -0.029 0.000 0.898 129 Q HN 0.301 nan 8.270 nan 0.000 0.426 130 L N 0.316 121.469 121.223 -0.116 0.000 2.017 130 L HA -0.063 4.277 4.340 -0.001 0.000 0.208 130 L C 2.093 178.842 176.870 -0.202 0.000 1.073 130 L CA 2.387 57.131 54.840 -0.159 0.000 0.745 130 L CB -1.092 40.879 42.059 -0.147 0.000 0.894 130 L HN 0.183 nan 8.230 nan 0.000 0.432 131 G N -1.457 107.180 108.800 -0.272 0.000 2.440 131 G HA2 -0.362 3.598 3.960 -0.001 0.000 0.218 131 G HA3 -0.362 3.598 3.960 -0.001 0.000 0.218 131 G C 1.512 176.020 174.900 -0.653 0.000 1.154 131 G CA 0.885 45.717 45.100 -0.446 0.000 0.767 131 G HN 0.480 nan 8.290 nan 0.000 0.552 132 Q N 0.244 119.603 119.800 -0.734 0.000 2.096 132 Q HA -0.103 4.237 4.340 -0.001 0.000 0.204 132 Q C 2.647 178.570 176.000 -0.128 0.000 0.982 132 Q CA 2.106 57.709 55.803 -0.334 0.000 0.850 132 Q CB -0.296 28.350 28.738 -0.155 0.000 0.901 132 Q HN 0.520 nan 8.270 nan 0.000 0.422 133 V N -3.691 116.152 119.914 -0.119 0.000 3.506 133 V HA 0.281 4.400 4.120 -0.001 0.000 0.263 133 V C 0.748 176.826 176.094 -0.027 0.000 1.203 133 V CA 0.851 63.117 62.300 -0.057 0.000 1.133 133 V CB 0.680 32.468 31.823 -0.058 0.000 0.802 133 V HN 0.183 nan 8.190 nan 0.000 0.459 134 S N 2.665 118.348 115.700 -0.028 0.000 2.317 134 S HA 0.472 4.941 4.470 -0.001 0.000 0.144 134 S C -2.783 171.879 174.600 0.103 0.000 1.660 134 S CA -1.030 57.209 58.200 0.065 0.000 1.273 134 S CB 0.576 63.850 63.200 0.124 0.000 1.330 134 S HN 0.470 nan 8.310 nan 0.000 0.395 135 P HA 0.242 nan 4.420 nan 0.000 0.265 135 P C 0.972 178.359 177.300 0.146 0.000 1.193 135 P CA 1.208 64.393 63.100 0.141 0.000 0.765 135 P CB 0.404 32.185 31.700 0.136 0.000 0.823 136 G N 1.055 109.967 108.800 0.187 0.000 2.148 136 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.254 136 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.254 136 G C 0.235 175.209 174.900 0.124 0.000 0.981 136 G CA 0.286 45.476 45.100 0.149 0.000 0.670 136 G HN 0.806 nan 8.290 nan 0.000 0.528 137 H N 0.674 119.789 119.070 0.075 0.000 2.871 137 H HA 0.459 5.015 4.556 -0.001 0.000 0.355 137 H C 1.188 176.561 175.328 0.075 0.000 1.092 137 H CA 0.342 56.429 56.048 0.065 0.000 1.420 137 H CB 0.399 30.196 29.762 0.057 0.000 1.400 137 H HN 0.364 nan 8.280 nan 0.000 0.604 138 R N 3.308 123.765 120.500 -0.073 0.000 2.267 138 R HA 0.268 4.607 4.340 -0.001 0.000 0.319 138 R C -0.754 175.682 176.300 0.227 0.000 1.067 138 R CA -0.441 55.693 56.100 0.058 0.000 0.936 138 R CB 0.468 30.764 30.300 -0.007 0.000 1.006 138 R HN 0.404 nan 8.270 nan 0.000 0.452 139 V N -0.071 119.955 119.914 0.186 0.000 3.001 139 V HA 0.663 4.782 4.120 -0.001 0.000 0.314 139 V C -1.003 175.194 176.094 0.171 0.000 1.099 139 V CA -1.245 61.199 62.300 0.239 0.000 0.989 139 V CB 1.696 33.642 31.823 0.205 0.000 1.040 139 V HN 0.628 nan 8.190 nan 0.000 0.434 140 W N 1.629 122.964 121.300 0.057 0.000 2.647 140 W HA 0.836 5.496 4.660 -0.000 0.000 0.353 140 W C -0.639 175.888 176.519 0.014 0.000 1.080 140 W CA -0.817 56.546 57.345 0.029 0.000 1.208 140 W CB 1.679 31.123 29.460 -0.026 0.000 1.396 140 W HN 0.524 nan 8.180 nan 0.000 0.573 141 L N 2.767 124.145 121.223 0.257 0.000 2.325 141 L HA 0.493 4.832 4.340 -0.001 0.000 0.281 141 L C 0.193 177.162 176.870 0.164 0.000 1.004 141 L CA -1.107 53.814 54.840 0.135 0.000 0.823 141 L CB 1.500 43.567 42.059 0.014 0.000 1.236 141 L HN 0.352 nan 8.230 nan 0.000 0.415 142 R N 3.115 123.690 120.500 0.126 0.000 2.216 142 R HA 0.481 4.821 4.340 -0.001 0.000 0.332 142 R C -1.209 175.160 176.300 0.114 0.000 1.056 142 R CA -0.417 55.802 56.100 0.199 0.000 0.901 142 R CB 1.035 31.441 30.300 0.176 0.000 1.039 142 R HN 0.410 nan 8.270 nan 0.000 0.456 143 V N 4.916 124.878 119.914 0.080 0.000 2.427 143 V HA 0.151 4.270 4.120 -0.001 0.000 0.286 143 V C 0.073 176.149 176.094 -0.029 0.000 1.034 143 V CA -0.895 61.405 62.300 0.000 0.000 0.893 143 V CB 1.460 33.250 31.823 -0.055 0.000 0.982 143 V HN 0.726 nan 8.190 nan 0.000 0.452 144 N N 7.102 125.789 118.700 -0.020 0.000 2.420 144 N HA 0.290 5.029 4.740 -0.001 0.000 0.249 144 N C -1.745 173.588 175.510 -0.296 0.000 1.033 144 N CA -1.998 51.004 53.050 -0.081 0.000 0.944 144 N CB 1.960 40.524 38.487 0.128 0.000 1.113 144 N HN 0.343 nan 8.380 nan 0.000 0.502 145 P HA 0.158 nan 4.420 nan 0.000 0.249 145 P C 0.491 177.313 177.300 -0.798 0.000 1.241 145 P CA 0.480 63.203 63.100 -0.627 0.000 0.781 145 P CB 0.158 31.488 31.700 -0.616 0.000 1.088 146 G N -0.168 108.213 108.800 -0.699 0.000 2.179 146 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.220 146 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.220 146 G C -0.148 174.817 174.900 0.109 0.000 0.990 146 G CA 0.012 44.840 45.100 -0.453 0.000 0.646 146 G HN 0.496 nan 8.290 nan 0.000 0.517 147 F N -1.543 118.361 119.950 -0.076 0.000 2.654 147 F HA 0.808 5.335 4.527 -0.001 0.000 0.308 147 F C 0.455 176.292 175.800 0.062 0.000 1.108 147 F CA -0.586 57.431 58.000 0.028 0.000 0.957 147 F CB 0.651 39.639 39.000 -0.021 0.000 1.309 147 F HN 0.443 nan 8.300 nan 0.000 0.446 148 G N -0.099 108.842 108.800 0.235 0.000 3.247 148 G HA2 0.430 4.389 3.960 -0.001 0.000 0.163 148 G HA3 0.430 4.389 3.960 -0.001 0.000 0.163 148 G C -1.783 173.369 174.900 0.420 0.000 1.206 148 G CA -0.732 44.476 45.100 0.181 0.000 0.918 148 G HN 0.978 nan 8.290 nan 0.000 0.625 149 H N -0.928 118.198 119.070 0.093 0.000 2.782 149 H HA 0.489 5.045 4.556 -0.001 0.000 0.347 149 H C 0.230 175.499 175.328 -0.099 0.000 1.038 149 H CA -0.001 55.998 56.048 -0.083 0.000 1.255 149 H CB 1.323 30.908 29.762 -0.296 0.000 1.623 149 H HN 1.305 nan 8.280 nan 0.000 0.525 150 G N 2.864 111.491 108.800 -0.288 0.000 2.447 150 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.220 150 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.220 150 G C -1.144 173.619 174.900 -0.228 0.000 1.261 150 G CA -0.926 43.952 45.100 -0.370 0.000 1.000 150 G HN 0.748 nan 8.290 nan 0.000 0.515 151 H N 0.911 119.951 119.070 -0.049 0.000 3.034 151 H HA 0.255 4.811 4.556 -0.001 0.000 0.324 151 H C 2.078 177.417 175.328 0.018 0.000 1.015 151 H CA 0.951 56.992 56.048 -0.012 0.000 1.429 151 H CB 1.264 31.017 29.762 -0.016 0.000 1.429 151 H HN 0.835 nan 8.280 nan 0.000 0.585 152 S N 2.211 117.995 115.700 0.140 0.000 2.481 152 S HA -0.130 4.339 4.470 -0.001 0.000 0.231 152 S C 1.424 176.084 174.600 0.101 0.000 0.996 152 S CA 0.768 59.038 58.200 0.116 0.000 0.942 152 S CB 0.100 63.362 63.200 0.103 0.000 0.768 152 S HN 0.625 nan 8.310 nan 0.000 0.520 153 Q N 0.559 120.416 119.800 0.094 0.000 2.354 153 Q HA 0.208 4.548 4.340 -0.001 0.000 0.203 153 Q C 0.340 176.369 176.000 0.048 0.000 0.933 153 Q CA 0.520 56.357 55.803 0.056 0.000 0.901 153 Q CB 0.231 28.988 28.738 0.031 0.000 1.007 153 Q HN 0.569 nan 8.270 nan 0.000 0.495 154 K N 1.062 121.503 120.400 0.069 0.000 2.109 154 K HA 0.193 4.513 4.320 -0.001 0.000 0.243 154 K C 0.013 176.642 176.600 0.050 0.000 1.006 154 K CA -0.310 56.008 56.287 0.051 0.000 0.917 154 K CB 0.770 33.309 32.500 0.065 0.000 1.081 154 K HN 0.020 nan 8.250 nan 0.000 0.468 155 T N -0.646 113.929 114.554 0.034 0.000 2.933 155 T HA 0.016 4.366 4.350 -0.001 0.000 0.306 155 T C -0.048 174.680 174.700 0.046 0.000 1.045 155 T CA -0.157 61.961 62.100 0.029 0.000 1.143 155 T CB 0.082 68.962 68.868 0.020 0.000 1.003 155 T HN 0.713 nan 8.240 nan 0.000 0.540 156 N N -0.005 118.732 118.700 0.062 0.000 2.732 156 N HA 0.403 5.143 4.740 -0.001 0.000 0.259 156 N C 0.923 176.524 175.510 0.152 0.000 1.402 156 N CA -0.406 52.697 53.050 0.088 0.000 0.829 156 N CB 1.591 40.136 38.487 0.097 0.000 1.495 156 N HN 0.742 nan 8.380 nan 0.000 0.511 157 T N -2.147 112.483 114.554 0.126 0.000 3.081 157 T HA 0.365 4.715 4.350 -0.001 0.000 0.255 157 T C 0.732 175.499 174.700 0.112 0.000 1.113 157 T CA 0.140 62.325 62.100 0.140 0.000 1.082 157 T CB 0.100 68.912 68.868 -0.093 0.000 0.939 157 T HN 0.477 nan 8.240 nan 0.000 0.506 158 G N -1.138 107.718 108.800 0.093 0.000 2.687 158 G HA2 0.617 4.577 3.960 -0.001 0.000 0.291 158 G HA3 0.617 4.577 3.960 -0.001 0.000 0.291 158 G C -0.126 174.860 174.900 0.144 0.000 1.420 158 G CA -0.198 44.936 45.100 0.057 0.000 0.796 158 G HN 0.935 nan 8.290 nan 0.000 0.485 159 G N -0.704 108.218 108.800 0.203 0.000 2.795 159 G HA2 0.027 3.986 3.960 -0.001 0.000 0.664 159 G HA3 0.027 3.986 3.960 -0.001 0.000 0.664 159 G C 0.797 175.981 174.900 0.472 0.000 1.381 159 G CA 0.815 46.140 45.100 0.375 0.000 0.853 159 G HN 1.596 nan 8.290 nan 0.000 0.545 160 E N -0.639 119.784 120.200 0.371 0.000 2.338 160 E HA -0.062 4.287 4.350 -0.001 0.000 0.197 160 E C 1.050 177.658 176.600 0.013 0.000 1.007 160 E CA 1.056 57.475 56.400 0.031 0.000 0.849 160 E CB -0.042 29.596 29.700 -0.104 0.000 0.774 160 E HN 0.344 nan 8.360 nan 0.000 0.506 161 N N 1.105 119.849 118.700 0.073 0.000 2.378 161 N HA 0.066 4.806 4.740 -0.001 0.000 0.243 161 N C -1.030 174.504 175.510 0.040 0.000 1.137 161 N CA 0.103 53.175 53.050 0.037 0.000 0.862 161 N CB 1.188 39.702 38.487 0.045 0.000 1.116 161 N HN 0.022 nan 8.380 nan 0.000 0.499 162 S N 0.320 116.053 115.700 0.054 0.000 2.521 162 S HA 0.243 4.712 4.470 -0.001 0.000 0.295 162 S C 0.925 175.505 174.600 -0.033 0.000 1.098 162 S CA -0.773 57.445 58.200 0.030 0.000 0.999 162 S CB 1.431 64.710 63.200 0.132 0.000 1.034 162 S HN 0.332 nan 8.310 nan 0.000 0.483 163 K N 2.519 122.802 120.400 -0.196 0.000 2.459 163 K HA 0.102 4.422 4.320 -0.001 0.000 0.193 163 K C -0.206 176.309 176.600 -0.141 0.000 1.030 163 K CA 0.258 56.428 56.287 -0.195 0.000 1.026 163 K CB -0.169 32.171 32.500 -0.267 0.000 0.809 163 K HN 0.579 nan 8.250 nan 0.000 0.504 164 H N 1.394 120.506 119.070 0.071 0.000 2.580 164 H HA 0.328 4.883 4.556 -0.001 0.000 0.322 164 H C 0.809 176.193 175.328 0.094 0.000 1.082 164 H CA 0.701 56.792 56.048 0.072 0.000 1.383 164 H CB 1.094 30.899 29.762 0.071 0.000 1.450 164 H HN 0.491 nan 8.280 nan 0.000 0.505 165 G N 2.420 111.349 108.800 0.215 0.000 2.787 165 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.685 165 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.685 165 G C -0.287 174.708 174.900 0.157 0.000 1.437 165 G CA -0.738 44.458 45.100 0.160 0.000 0.872 165 G HN 0.630 nan 8.290 nan 0.000 0.566 166 I N 1.343 121.985 120.570 0.120 0.000 2.452 166 I HA 0.100 4.269 4.170 -0.001 0.000 0.287 166 I C 1.249 177.472 176.117 0.176 0.000 1.079 166 I CA -0.205 61.172 61.300 0.127 0.000 1.387 166 I CB 0.685 38.721 38.000 0.060 0.000 1.404 166 I HN 0.573 nan 8.210 nan 0.000 0.522 167 W N 7.883 129.202 121.300 0.031 0.000 2.314 167 W HA -0.126 4.533 4.660 -0.000 0.000 0.339 167 W C 0.964 177.506 176.519 0.038 0.000 1.293 167 W CA -0.403 56.973 57.345 0.053 0.000 1.288 167 W CB 0.387 29.846 29.460 -0.001 0.000 1.186 167 W HN 0.719 nan 8.180 nan 0.000 0.566 168 Y N 1.823 121.807 120.300 -0.528 0.000 2.241 168 Y HA -0.285 4.264 4.550 -0.001 0.000 0.286 168 Y C 2.230 178.027 175.900 -0.172 0.000 1.166 168 Y CA 2.113 60.001 58.100 -0.354 0.000 1.203 168 Y CB -1.048 37.159 38.460 -0.421 0.000 0.977 168 Y HN 0.291 nan 8.280 nan 0.000 0.529 169 T N -3.686 110.465 114.554 -0.671 0.000 3.148 169 T HA -0.002 4.347 4.350 -0.001 0.000 0.253 169 T C 0.781 175.464 174.700 -0.029 0.000 1.134 169 T CA 0.661 62.577 62.100 -0.307 0.000 1.051 169 T CB -0.328 68.373 68.868 -0.278 0.000 0.959 169 T HN 0.323 nan 8.240 nan 0.000 0.525 170 D N 0.513 120.940 120.400 0.045 0.000 2.339 170 D HA 0.281 4.921 4.640 -0.001 0.000 0.217 170 D C 1.801 178.135 176.300 0.056 0.000 1.050 170 D CA -0.044 54.002 54.000 0.077 0.000 0.856 170 D CB 0.030 40.904 40.800 0.123 0.000 0.922 170 D HN 0.379 nan 8.370 nan 0.000 0.518 171 L N 0.974 122.211 121.223 0.023 0.000 2.042 171 L HA -0.142 4.197 4.340 -0.001 0.000 0.210 171 L C -0.476 176.531 176.870 0.230 0.000 1.076 171 L CA 1.480 56.331 54.840 0.017 0.000 0.749 171 L CB -1.383 40.607 42.059 -0.115 0.000 0.893 171 L HN 0.048 nan 8.230 nan 0.000 0.432 172 P HA -0.177 nan 4.420 nan 0.000 0.216 172 P C 1.393 178.776 177.300 0.137 0.000 1.150 172 P CA 1.763 64.971 63.100 0.181 0.000 0.837 172 P CB -0.016 31.746 31.700 0.104 0.000 0.786 173 A N -0.124 122.759 122.820 0.105 0.000 1.969 173 A HA -0.044 4.276 4.320 -0.001 0.000 0.218 173 A C 2.300 179.944 177.584 0.101 0.000 1.169 173 A CA 1.843 53.929 52.037 0.082 0.000 0.635 173 A CB -1.508 17.531 19.000 0.065 0.000 0.810 173 A HN 0.192 nan 8.150 nan 0.000 0.445 174 A N -0.427 122.469 122.820 0.128 0.000 1.930 174 A HA -0.003 4.317 4.320 -0.001 0.000 0.217 174 A C 2.086 179.794 177.584 0.206 0.000 1.175 174 A CA 1.637 53.760 52.037 0.144 0.000 0.627 174 A CB -0.555 18.504 19.000 0.099 0.000 0.815 174 A HN 0.657 nan 8.150 nan 0.000 0.443 175 L N 0.222 121.619 121.223 0.290 0.000 2.046 175 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 175 L C 1.578 178.490 176.870 0.071 0.000 1.077 175 L CA 2.436 57.401 54.840 0.207 0.000 0.747 175 L CB -0.720 41.394 42.059 0.091 0.000 0.896 175 L HN 0.332 nan 8.230 nan 0.000 0.432 176 D N -0.722 119.711 120.400 0.054 0.000 2.123 176 D HA -0.177 4.462 4.640 -0.001 0.000 0.196 176 D C 2.325 178.614 176.300 -0.019 0.000 0.992 176 D CA 1.718 55.719 54.000 0.001 0.000 0.833 176 D CB -0.303 40.501 40.800 0.006 0.000 0.954 176 D HN 0.300 nan 8.370 nan 0.000 0.455 177 V N 1.159 121.093 119.914 0.032 0.000 2.307 177 V HA -0.206 3.913 4.120 -0.001 0.000 0.245 177 V C 2.570 178.705 176.094 0.068 0.000 1.045 177 V CA 1.010 63.341 62.300 0.051 0.000 1.024 177 V CB -0.346 31.557 31.823 0.133 0.000 0.651 177 V HN 0.170 nan 8.190 nan 0.000 0.449 178 I N -0.305 120.321 120.570 0.093 0.000 2.151 178 I HA -0.368 3.801 4.170 -0.001 0.000 0.243 178 I C 2.714 178.826 176.117 -0.008 0.000 1.080 178 I CA 1.871 63.224 61.300 0.090 0.000 1.339 178 I CB -0.330 37.739 38.000 0.114 0.000 1.039 178 I HN 0.384 nan 8.210 nan 0.000 0.409 179 Q N -0.181 119.574 119.800 -0.075 0.000 2.119 179 Q HA -0.220 4.119 4.340 -0.001 0.000 0.201 179 Q C 2.319 178.136 176.000 -0.305 0.000 0.972 179 Q CA 1.210 56.902 55.803 -0.184 0.000 0.847 179 Q CB -0.198 28.453 28.738 -0.145 0.000 0.903 179 Q HN 0.387 nan 8.270 nan 0.000 0.433 180 R N 0.127 120.467 120.500 -0.266 0.000 2.091 180 R HA -0.159 4.180 4.340 -0.001 0.000 0.238 180 R C 1.091 177.169 176.300 -0.369 0.000 1.136 180 R CA 1.409 57.289 56.100 -0.367 0.000 0.959 180 R CB 0.056 30.059 30.300 -0.494 0.000 0.856 180 R HN 0.382 nan 8.270 nan 0.000 0.437 181 H N -0.815 118.254 119.070 -0.002 0.000 2.520 181 H HA 0.119 4.675 4.556 -0.001 0.000 0.284 181 H C -0.261 175.176 175.328 0.183 0.000 1.037 181 H CA 0.114 56.227 56.048 0.108 0.000 1.168 181 H CB 0.132 29.949 29.762 0.092 0.000 1.497 181 H HN 0.380 nan 8.280 nan 0.000 0.547 182 H N -0.148 118.984 119.070 0.103 0.000 2.791 182 H HA -0.152 4.403 4.556 -0.001 0.000 0.302 182 H C 0.176 175.560 175.328 0.095 0.000 1.198 182 H CA 0.270 56.364 56.048 0.077 0.000 1.145 182 H CB -1.911 27.888 29.762 0.062 0.000 1.385 182 H HN 0.317 nan 8.280 nan 0.000 0.409 183 L N 1.031 122.356 121.223 0.169 0.000 2.483 183 L HA 0.005 4.345 4.340 -0.001 0.000 0.276 183 L C 1.106 178.045 176.870 0.115 0.000 1.213 183 L CA 0.783 55.720 54.840 0.162 0.000 0.843 183 L CB 0.363 42.523 42.059 0.169 0.000 1.107 183 L HN 0.179 nan 8.230 nan 0.000 0.487 184 Q N 2.951 122.811 119.800 0.101 0.000 2.368 184 Q HA 0.315 4.654 4.340 -0.001 0.000 0.256 184 Q C -0.803 175.218 176.000 0.036 0.000 0.980 184 Q CA -0.793 55.044 55.803 0.056 0.000 0.887 184 Q CB 1.926 30.685 28.738 0.035 0.000 1.221 184 Q HN 0.335 nan 8.270 nan 0.000 0.458 185 L N 4.250 125.487 121.223 0.024 0.000 2.385 185 L HA 0.039 4.379 4.340 -0.001 0.000 0.281 185 L C 0.326 177.132 176.870 -0.108 0.000 1.106 185 L CA 0.583 55.420 54.840 -0.006 0.000 0.856 185 L CB 0.739 42.831 42.059 0.055 0.000 1.186 185 L HN 0.559 nan 8.230 nan 0.000 0.453 186 V N 4.567 124.332 119.914 -0.247 0.000 2.500 186 V HA 0.407 4.527 4.120 -0.001 0.000 0.243 186 V C 1.143 176.812 176.094 -0.708 0.000 1.039 186 V CA 1.100 63.148 62.300 -0.421 0.000 1.053 186 V CB -0.389 31.140 31.823 -0.489 0.000 0.695 186 V HN 0.928 nan 8.190 nan 0.000 0.463 187 G N -1.199 106.994 108.800 -1.012 0.000 2.559 187 G HA2 0.624 4.583 3.960 -0.001 0.000 0.291 187 G HA3 0.624 4.583 3.960 -0.001 0.000 0.291 187 G C -1.890 172.778 174.900 -0.386 0.000 1.424 187 G CA -0.583 43.888 45.100 -1.048 0.000 0.786 187 G HN 0.001 nan 8.290 nan 0.000 0.485 188 I N 0.381 120.935 120.570 -0.026 0.000 2.509 188 I HA 0.479 4.648 4.170 -0.001 0.000 0.293 188 I C -0.577 175.789 176.117 0.414 0.000 1.020 188 I CA -0.813 60.612 61.300 0.210 0.000 1.088 188 I CB 2.486 40.543 38.000 0.095 0.000 1.267 188 I HN 0.779 nan 8.210 nan 0.000 0.430 189 H N 6.454 125.682 119.070 0.263 0.000 2.768 189 H HA 0.746 5.302 4.556 -0.001 0.000 0.371 189 H C -1.615 173.747 175.328 0.057 0.000 1.151 189 H CA -0.825 55.324 56.048 0.168 0.000 1.165 189 H CB 1.903 31.738 29.762 0.120 0.000 1.722 189 H HN 0.471 nan 8.280 nan 0.000 0.543 190 M N 3.391 122.739 119.600 -0.419 0.000 2.393 190 M HA 0.186 4.666 4.480 -0.001 0.000 0.299 190 M C -1.664 174.306 176.300 -0.549 0.000 1.103 190 M CA -0.724 54.370 55.300 -0.344 0.000 0.910 190 M CB 2.190 34.717 32.600 -0.121 0.000 1.659 190 M HN 0.733 nan 8.290 nan 0.000 0.445 191 H N 3.630 122.459 119.070 -0.401 0.000 2.887 191 H HA 0.490 5.045 4.556 -0.001 0.000 0.300 191 H C -0.880 174.365 175.328 -0.138 0.000 1.038 191 H CA -0.400 55.489 56.048 -0.264 0.000 1.352 191 H CB 0.663 30.328 29.762 -0.162 0.000 1.473 191 H HN 0.647 nan 8.280 nan 0.000 0.503 192 I N 2.493 122.784 120.570 -0.464 0.000 3.739 192 I HA 0.371 4.541 4.170 -0.001 0.000 0.272 192 I C 0.838 176.790 176.117 -0.275 0.000 1.167 192 I CA 1.065 62.181 61.300 -0.306 0.000 1.386 192 I CB -0.358 37.557 38.000 -0.143 0.000 1.490 192 I HN 0.839 nan 8.210 nan 0.000 0.452 193 G N 1.401 110.093 108.800 -0.179 0.000 3.190 193 G HA2 -0.118 3.841 3.960 -0.001 0.000 0.686 193 G HA3 -0.118 3.841 3.960 -0.001 0.000 0.686 193 G C 0.098 174.879 174.900 -0.199 0.000 1.033 193 G CA 0.039 45.080 45.100 -0.098 0.000 0.797 193 G HN 0.167 nan 8.290 nan 0.000 0.567 194 S N 0.979 116.597 115.700 -0.137 0.000 2.632 194 S HA 0.501 4.971 4.470 -0.001 0.000 0.237 194 S C 2.003 176.508 174.600 -0.160 0.000 1.037 194 S CA 1.286 59.246 58.200 -0.399 0.000 1.009 194 S CB 0.436 63.566 63.200 -0.116 0.000 0.974 194 S HN 2.607 nan 8.310 nan 0.000 0.544 195 G N 2.040 110.868 108.800 0.047 0.000 2.591 195 G HA2 -0.351 3.609 3.960 -0.001 0.000 0.298 195 G HA3 -0.351 3.609 3.960 -0.001 0.000 0.298 195 G C 0.668 175.554 174.900 -0.024 0.000 1.195 195 G CA 0.801 45.938 45.100 0.063 0.000 0.989 195 G HN 1.183 nan 8.290 nan 0.000 0.551 196 V N -1.938 117.874 119.914 -0.171 0.000 3.121 196 V HA 0.513 4.633 4.120 -0.001 0.000 0.344 196 V C 0.462 176.097 176.094 -0.766 0.000 1.390 196 V CA 0.986 62.966 62.300 -0.534 0.000 1.177 196 V CB 0.854 32.553 31.823 -0.206 0.000 1.163 196 V HN 0.613 nan 8.190 nan 0.000 0.484 197 D N 0.585 120.713 120.400 -0.455 0.000 2.508 197 D HA 0.166 4.805 4.640 -0.001 0.000 0.224 197 D C 0.765 176.864 176.300 -0.335 0.000 1.171 197 D CA -0.220 53.611 54.000 -0.282 0.000 1.006 197 D CB 0.064 40.825 40.800 -0.064 0.000 1.073 197 D HN 0.550 nan 8.370 nan 0.000 0.513 198 Y N 1.457 121.687 120.300 -0.117 0.000 2.421 198 Y HA -0.118 4.431 4.550 -0.001 0.000 0.292 198 Y C 2.410 178.209 175.900 -0.168 0.000 1.136 198 Y CA 0.786 58.736 58.100 -0.250 0.000 1.255 198 Y CB 0.008 38.215 38.460 -0.422 0.000 0.991 198 Y HN 0.473 nan 8.280 nan 0.000 0.552 199 A N -0.478 122.352 122.820 0.018 0.000 1.929 199 A HA -0.211 4.109 4.320 -0.001 0.000 0.216 199 A C 2.107 179.654 177.584 -0.061 0.000 1.176 199 A CA 1.604 53.631 52.037 -0.017 0.000 0.628 199 A CB -0.888 18.111 19.000 -0.001 0.000 0.816 199 A HN 0.568 nan 8.150 nan 0.000 0.444 200 H N -0.414 118.578 119.070 -0.130 0.000 2.357 200 H HA -0.094 4.461 4.556 -0.001 0.000 0.301 200 H C 1.980 177.202 175.328 -0.176 0.000 1.082 200 H CA 1.807 57.768 56.048 -0.145 0.000 1.342 200 H CB -0.202 29.464 29.762 -0.161 0.000 1.389 200 H HN 0.330 nan 8.280 nan 0.000 0.511 201 L N 1.660 122.809 121.223 -0.124 0.000 2.079 201 L HA -0.156 4.183 4.340 -0.001 0.000 0.210 201 L C 2.571 179.232 176.870 -0.348 0.000 1.081 201 L CA 2.279 56.976 54.840 -0.238 0.000 0.752 201 L CB -0.709 41.145 42.059 -0.341 0.000 0.896 201 L HN 0.336 nan 8.230 nan 0.000 0.433 202 E N -1.517 118.514 120.200 -0.281 0.000 2.150 202 E HA -0.234 4.115 4.350 -0.001 0.000 0.193 202 E C 2.057 178.480 176.600 -0.295 0.000 0.985 202 E CA 0.942 57.169 56.400 -0.288 0.000 0.814 202 E CB 0.005 29.596 29.700 -0.182 0.000 0.752 202 E HN 0.532 nan 8.360 nan 0.000 0.466 203 Q N 0.009 119.634 119.800 -0.291 0.000 2.084 203 Q HA -0.115 4.224 4.340 -0.001 0.000 0.202 203 Q C 2.405 178.329 176.000 -0.127 0.000 0.978 203 Q CA 1.244 56.877 55.803 -0.284 0.000 0.844 203 Q CB -0.306 28.151 28.738 -0.469 0.000 0.898 203 Q HN 0.293 nan 8.270 nan 0.000 0.426 204 V N 0.394 120.205 119.914 -0.172 0.000 2.295 204 V HA -0.291 3.829 4.120 -0.001 0.000 0.246 204 V C 2.580 178.512 176.094 -0.269 0.000 1.049 204 V CA 1.659 63.891 62.300 -0.113 0.000 1.024 204 V CB -0.884 30.893 31.823 -0.078 0.000 0.648 204 V HN 0.337 nan 8.190 nan 0.000 0.447 205 C N 0.980 119.898 119.300 -0.635 0.000 2.413 205 C HA -0.110 4.349 4.460 -0.001 0.000 0.276 205 C C 2.975 177.724 174.990 -0.401 0.000 1.236 205 C CA 0.957 59.431 59.018 -0.908 0.000 1.735 205 C CB -1.756 25.372 27.740 -1.019 0.000 2.031 205 C HN 0.694 nan 8.230 nan 0.000 0.474 206 G N 0.149 108.774 108.800 -0.291 0.000 2.422 206 G HA2 -0.034 3.926 3.960 -0.001 0.000 0.218 206 G HA3 -0.034 3.926 3.960 -0.001 0.000 0.218 206 G C 1.853 176.678 174.900 -0.125 0.000 1.146 206 G CA 1.050 46.040 45.100 -0.184 0.000 0.769 206 G HN 0.639 nan 8.290 nan 0.000 0.547 207 A N 0.248 123.012 122.820 -0.092 0.000 1.930 207 A HA 0.061 4.380 4.320 -0.001 0.000 0.217 207 A C 2.286 179.834 177.584 -0.061 0.000 1.175 207 A CA 2.113 54.112 52.037 -0.063 0.000 0.627 207 A CB -0.350 18.647 19.000 -0.004 0.000 0.815 207 A HN 0.399 nan 8.150 nan 0.000 0.443 208 M N 0.031 119.616 119.600 -0.026 0.000 2.065 208 M HA -0.112 4.367 4.480 -0.001 0.000 0.259 208 M C 1.909 178.226 176.300 0.028 0.000 1.069 208 M CA 2.063 57.396 55.300 0.056 0.000 1.110 208 M CB -0.701 32.044 32.600 0.242 0.000 1.328 208 M HN 0.110 nan 8.290 nan 0.000 0.405 209 V N 0.240 120.148 119.914 -0.010 0.000 2.255 209 V HA -0.322 3.797 4.120 -0.001 0.000 0.247 209 V C 2.556 178.619 176.094 -0.051 0.000 1.051 209 V CA 2.457 64.741 62.300 -0.027 0.000 1.018 209 V CB -0.912 30.879 31.823 -0.053 0.000 0.641 209 V HN 0.542 nan 8.190 nan 0.000 0.445 210 R N -0.561 119.903 120.500 -0.060 0.000 2.094 210 R HA -0.212 4.128 4.340 -0.001 0.000 0.239 210 R C 2.541 178.820 176.300 -0.036 0.000 1.137 210 R CA 1.905 57.969 56.100 -0.060 0.000 0.943 210 R CB -0.250 30.010 30.300 -0.067 0.000 0.850 210 R HN 0.496 nan 8.270 nan 0.000 0.433 211 Q N -0.201 119.583 119.800 -0.027 0.000 2.084 211 Q HA -0.114 4.225 4.340 -0.001 0.000 0.202 211 Q C 2.256 178.282 176.000 0.043 0.000 0.978 211 Q CA 1.369 57.173 55.803 0.001 0.000 0.844 211 Q CB -0.347 28.370 28.738 -0.036 0.000 0.898 211 Q HN 0.251 nan 8.270 nan 0.000 0.426 212 V N 1.239 121.175 119.914 0.036 0.000 2.295 212 V HA -0.241 3.878 4.120 -0.001 0.000 0.246 212 V C 2.371 178.502 176.094 0.061 0.000 1.049 212 V CA 1.488 63.836 62.300 0.079 0.000 1.024 212 V CB -0.548 31.312 31.823 0.061 0.000 0.648 212 V HN 0.258 nan 8.190 nan 0.000 0.447 213 I N 0.093 120.637 120.570 -0.043 0.000 2.226 213 I HA -0.240 3.930 4.170 -0.001 0.000 0.245 213 I C 2.631 178.709 176.117 -0.065 0.000 1.100 213 I CA 1.845 63.053 61.300 -0.154 0.000 1.374 213 I CB -0.346 37.424 38.000 -0.383 0.000 1.057 213 I HN 0.368 nan 8.210 nan 0.000 0.413 214 E N 1.225 121.422 120.200 -0.005 0.000 2.077 214 E HA -0.272 4.077 4.350 -0.001 0.000 0.193 214 E C 2.039 178.715 176.600 0.126 0.000 0.989 214 E CA 1.474 57.903 56.400 0.047 0.000 0.800 214 E CB -0.428 29.307 29.700 0.060 0.000 0.746 214 E HN 0.362 nan 8.360 nan 0.000 0.452 215 F N 0.493 120.434 119.950 -0.015 0.000 2.161 215 F HA 0.018 4.545 4.527 -0.001 0.000 0.300 215 F C 1.774 177.571 175.800 -0.005 0.000 1.089 215 F CA 1.945 59.945 58.000 -0.001 0.000 1.282 215 F CB -0.445 38.559 39.000 0.007 0.000 1.010 215 F HN 0.229 nan 8.300 nan 0.000 0.485 216 G N 0.540 109.337 108.800 -0.005 0.000 2.160 216 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.251 216 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.251 216 G C 0.086 174.897 174.900 -0.148 0.000 1.008 216 G CA 0.399 45.449 45.100 -0.083 0.000 0.724 216 G HN 0.432 nan 8.290 nan 0.000 0.514 217 Q N 0.044 119.747 119.800 -0.163 0.000 2.257 217 Q HA 0.513 4.852 4.340 -0.001 0.000 0.262 217 Q C -0.254 175.743 176.000 -0.004 0.000 0.997 217 Q CA -0.788 54.930 55.803 -0.141 0.000 0.873 217 Q CB 1.586 30.187 28.738 -0.229 0.000 1.312 217 Q HN 0.362 nan 8.270 nan 0.000 0.450 218 D N 0.914 121.321 120.400 0.012 0.000 2.341 218 D HA 0.438 5.078 4.640 -0.001 0.000 0.245 218 D C -0.906 175.433 176.300 0.065 0.000 1.106 218 D CA -0.174 53.869 54.000 0.072 0.000 0.905 218 D CB 0.523 41.382 40.800 0.098 0.000 1.202 218 D HN 0.314 nan 8.370 nan 0.000 0.426 219 L N 0.411 121.689 121.223 0.092 0.000 2.600 219 L HA 0.505 4.845 4.340 -0.001 0.000 0.257 219 L C 0.036 176.950 176.870 0.074 0.000 1.048 219 L CA -0.728 54.124 54.840 0.020 0.000 0.869 219 L CB 1.218 43.254 42.059 -0.037 0.000 1.482 219 L HN 0.158 nan 8.230 nan 0.000 0.408 220 Q N 0.279 120.056 119.800 -0.039 0.000 2.350 220 Q HA 0.798 5.138 4.340 -0.001 0.000 0.225 220 Q C -0.041 175.960 176.000 0.001 0.000 0.878 220 Q CA 0.864 56.674 55.803 0.011 0.000 0.935 220 Q CB 1.141 29.854 28.738 -0.041 0.000 1.099 220 Q HN 0.892 nan 8.270 nan 0.000 0.527 221 A N 0.342 123.092 122.820 -0.116 0.000 2.612 221 A HA 0.729 5.048 4.320 -0.001 0.000 0.293 221 A C -1.418 176.142 177.584 -0.040 0.000 1.075 221 A CA -0.867 51.150 52.037 -0.033 0.000 0.680 221 A CB 0.989 20.023 19.000 0.056 0.000 1.279 221 A HN 0.244 nan 8.150 nan 0.000 0.411 222 I N -1.585 119.090 120.570 0.174 0.000 2.892 222 I HA 0.893 5.063 4.170 -0.001 0.000 0.306 222 I C -0.319 175.995 176.117 0.330 0.000 1.078 222 I CA -0.744 60.713 61.300 0.261 0.000 1.032 222 I CB 2.291 40.401 38.000 0.184 0.000 1.229 222 I HN 0.547 nan 8.210 nan 0.000 0.435 223 S N 2.307 118.159 115.700 0.253 0.000 2.532 223 S HA 0.717 5.187 4.470 -0.001 0.000 0.299 223 S C 0.476 174.792 174.600 -0.474 0.000 1.105 223 S CA -0.108 58.061 58.200 -0.053 0.000 1.018 223 S CB 1.819 65.018 63.200 -0.002 0.000 1.021 223 S HN 0.933 nan 8.310 nan 0.000 0.483 224 A N 3.523 125.850 122.820 -0.821 0.000 2.206 224 A HA 0.542 4.861 4.320 -0.001 0.000 0.211 224 A C 1.478 178.696 177.584 -0.610 0.000 1.158 224 A CA 0.792 52.008 52.037 -1.369 0.000 0.761 224 A CB -1.489 16.425 19.000 -1.808 0.000 0.801 224 A HN 2.076 nan 8.150 nan 0.000 0.473 225 G N -1.786 106.737 108.800 -0.461 0.000 2.645 225 G HA2 0.183 4.143 3.960 -0.001 0.000 0.246 225 G HA3 0.183 4.143 3.960 -0.001 0.000 0.246 225 G C 0.535 175.402 174.900 -0.056 0.000 1.322 225 G CA -0.205 44.754 45.100 -0.234 0.000 0.898 225 G HN 1.435 nan 8.290 nan 0.000 0.573 226 G N -3.102 105.854 108.800 0.261 0.000 3.122 226 G HA2 0.757 4.716 3.960 -0.001 0.000 0.180 226 G HA3 0.757 4.716 3.960 -0.001 0.000 0.180 226 G C 1.264 176.296 174.900 0.220 0.000 1.279 226 G CA 1.019 46.212 45.100 0.155 0.000 0.987 226 G HN 2.627 nan 8.290 nan 0.000 0.589 227 G N -1.779 107.147 108.800 0.211 0.000 2.144 227 G HA2 -0.109 3.850 3.960 -0.001 0.000 0.218 227 G HA3 -0.109 3.850 3.960 -0.001 0.000 0.218 227 G C 0.074 175.044 174.900 0.116 0.000 0.988 227 G CA 0.083 45.272 45.100 0.149 0.000 0.659 227 G HN 0.630 nan 8.290 nan 0.000 0.522 228 L N 2.507 123.751 121.223 0.035 0.000 2.455 228 L HA 0.492 4.831 4.340 -0.001 0.000 0.272 228 L C 1.407 178.333 176.870 0.093 0.000 1.174 228 L CA 0.770 55.554 54.840 -0.092 0.000 0.869 228 L CB 1.010 42.797 42.059 -0.454 0.000 1.130 228 L HN 0.498 nan 8.230 nan 0.000 0.474 229 S N 2.616 118.379 115.700 0.105 0.000 2.669 229 S HA 0.811 5.280 4.470 -0.001 0.000 0.270 229 S C -0.178 174.507 174.600 0.142 0.000 1.225 229 S CA -0.713 57.571 58.200 0.140 0.000 0.991 229 S CB 1.814 65.080 63.200 0.110 0.000 0.987 229 S HN 0.571 nan 8.310 nan 0.000 0.552 230 V N -2.690 117.249 119.914 0.042 0.000 2.823 230 V HA 0.747 4.867 4.120 -0.001 0.000 0.312 230 V C -2.962 173.006 176.094 -0.209 0.000 1.072 230 V CA -2.692 59.538 62.300 -0.118 0.000 0.937 230 V CB 1.573 33.218 31.823 -0.296 0.000 1.013 230 V HN 0.838 nan 8.190 nan 0.000 0.430 231 P HA 0.298 nan 4.420 nan 0.000 0.273 231 P C -0.365 176.869 177.300 -0.109 0.000 1.428 231 P CA 0.155 63.210 63.100 -0.074 0.000 0.995 231 P CB 0.111 31.794 31.700 -0.028 0.000 1.286 232 Y N 0.983 121.312 120.300 0.049 0.000 2.373 232 Y HA -0.050 4.500 4.550 -0.001 0.000 0.293 232 Y C 1.579 177.533 175.900 0.090 0.000 1.129 232 Y CA 0.868 59.025 58.100 0.095 0.000 1.226 232 Y CB 0.284 38.801 38.460 0.095 0.000 1.000 232 Y HN 0.301 nan 8.280 nan 0.000 0.549 233 Q N 0.954 120.793 119.800 0.065 0.000 2.282 233 Q HA 0.221 4.560 4.340 -0.001 0.000 0.260 233 Q C -0.723 175.223 176.000 -0.091 0.000 0.964 233 Q CA -1.036 54.677 55.803 -0.150 0.000 0.880 233 Q CB 1.493 29.993 28.738 -0.395 0.000 1.286 233 Q HN 0.160 nan 8.270 nan 0.000 0.445 234 Q N 0.509 120.248 119.800 -0.102 0.000 2.549 234 Q HA 0.042 4.382 4.340 -0.001 0.000 0.347 234 Q C 1.098 177.062 176.000 -0.060 0.000 1.081 234 Q CA 1.661 57.412 55.803 -0.087 0.000 1.093 234 Q CB -0.350 28.338 28.738 -0.083 0.000 1.067 234 Q HN 1.026 nan 8.270 nan 0.000 0.398 235 G N 1.381 110.159 108.800 -0.037 0.000 2.225 235 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.254 235 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.254 235 G C -0.075 174.819 174.900 -0.009 0.000 0.988 235 G CA 0.140 45.229 45.100 -0.019 0.000 0.625 235 G HN 0.570 nan 8.290 nan 0.000 0.527 236 E N 0.918 121.109 120.200 -0.015 0.000 2.404 236 E HA 0.369 4.719 4.350 -0.001 0.000 0.261 236 E C 0.420 177.033 176.600 0.022 0.000 1.074 236 E CA -0.148 56.253 56.400 0.001 0.000 0.917 236 E CB 0.725 30.424 29.700 -0.000 0.000 0.965 236 E HN 0.483 nan 8.360 nan 0.000 0.433 237 E N 0.995 121.218 120.200 0.039 0.000 2.316 237 E HA 0.293 4.643 4.350 -0.001 0.000 0.275 237 E C -1.095 175.554 176.600 0.082 0.000 1.029 237 E CA -0.531 55.910 56.400 0.068 0.000 0.871 237 E CB 0.824 30.575 29.700 0.086 0.000 1.022 237 E HN 0.494 nan 8.360 nan 0.000 0.418 238 A N 3.735 126.615 122.820 0.100 0.000 2.286 238 A HA 0.329 4.649 4.320 -0.001 0.000 0.286 238 A C -0.261 177.437 177.584 0.190 0.000 1.097 238 A CA -0.693 51.419 52.037 0.125 0.000 0.821 238 A CB 0.996 20.064 19.000 0.112 0.000 1.076 238 A HN 0.531 nan 8.150 nan 0.000 0.490 239 V N 1.933 121.979 119.914 0.220 0.000 2.673 239 V HA 0.023 4.143 4.120 -0.001 0.000 0.303 239 V C 0.324 176.579 176.094 0.267 0.000 1.046 239 V CA 0.339 62.779 62.300 0.235 0.000 1.126 239 V CB 0.877 32.715 31.823 0.027 0.000 0.934 239 V HN 0.881 nan 8.190 nan 0.000 0.487 240 D N 3.432 124.058 120.400 0.377 0.000 2.428 240 D HA 0.147 4.787 4.640 -0.001 0.000 0.221 240 D C 1.305 177.793 176.300 0.313 0.000 1.123 240 D CA 0.108 54.282 54.000 0.290 0.000 0.869 240 D CB 1.521 42.468 40.800 0.245 0.000 1.032 240 D HN 0.734 nan 8.370 nan 0.000 0.506 241 T N 1.212 115.895 114.554 0.215 0.000 2.867 241 T HA -0.152 4.197 4.350 -0.001 0.000 0.268 241 T C 1.344 176.256 174.700 0.353 0.000 1.057 241 T CA 0.877 63.111 62.100 0.223 0.000 1.136 241 T CB 0.014 68.965 68.868 0.138 0.000 0.874 241 T HN 0.206 nan 8.240 nan 0.000 0.466 242 E N 0.628 120.982 120.200 0.256 0.000 2.110 242 E HA -0.061 4.289 4.350 -0.001 0.000 0.193 242 E C 1.929 178.687 176.600 0.263 0.000 0.988 242 E CA 1.234 57.769 56.400 0.225 0.000 0.804 242 E CB -0.529 29.244 29.700 0.121 0.000 0.745 242 E HN 0.831 nan 8.360 nan 0.000 0.458 243 H N -1.578 117.559 119.070 0.111 0.000 2.326 243 H HA -0.138 4.418 4.556 -0.001 0.000 0.301 243 H C 1.509 176.911 175.328 0.124 0.000 1.081 243 H CA 1.058 57.096 56.048 -0.016 0.000 1.334 243 H CB 0.050 29.612 29.762 -0.333 0.000 1.385 243 H HN 0.163 nan 8.280 nan 0.000 0.504 244 Y N -0.546 119.952 120.300 0.329 0.000 2.128 244 Y HA -0.331 4.219 4.550 -0.001 0.000 0.284 244 Y C 2.485 178.687 175.900 0.504 0.000 1.154 244 Y CA 1.981 60.332 58.100 0.419 0.000 1.149 244 Y CB -0.711 38.005 38.460 0.428 0.000 0.976 244 Y HN 0.348 nan 8.280 nan 0.000 0.505 245 Y N -0.016 120.561 120.300 0.461 0.000 2.145 245 Y HA -0.141 4.408 4.550 -0.001 0.000 0.286 245 Y C 2.490 178.419 175.900 0.048 0.000 1.145 245 Y CA 1.478 59.612 58.100 0.056 0.000 1.148 245 Y CB -0.884 37.445 38.460 -0.219 0.000 0.981 245 Y HN 0.061 nan 8.280 nan 0.000 0.507 246 G N 0.477 109.290 108.800 0.021 0.000 2.491 246 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.218 246 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.218 246 G C 1.714 176.529 174.900 -0.142 0.000 1.180 246 G CA 1.500 46.546 45.100 -0.091 0.000 0.774 246 G HN 0.458 nan 8.290 nan 0.000 0.562 247 L N -1.721 119.462 121.223 -0.066 0.000 2.056 247 L HA 0.010 4.349 4.340 -0.001 0.000 0.207 247 L C 2.752 179.471 176.870 -0.252 0.000 1.078 247 L CA 0.930 55.662 54.840 -0.179 0.000 0.749 247 L CB -0.336 41.583 42.059 -0.233 0.000 0.901 247 L HN 0.327 nan 8.230 nan 0.000 0.433 248 W N 0.118 121.367 121.300 -0.086 0.000 2.418 248 W HA -0.116 4.543 4.660 -0.001 0.000 0.292 248 W C 2.614 179.026 176.519 -0.177 0.000 1.213 248 W CA 1.027 58.343 57.345 -0.050 0.000 1.283 248 W CB -0.240 29.319 29.460 0.164 0.000 1.119 248 W HN 0.203 nan 8.180 nan 0.000 0.542 249 N N 0.737 119.289 118.700 -0.247 0.000 2.104 249 N HA -0.208 4.532 4.740 -0.001 0.000 0.190 249 N C 1.804 177.209 175.510 -0.176 0.000 1.024 249 N CA 1.743 54.555 53.050 -0.397 0.000 0.853 249 N CB -0.230 37.682 38.487 -0.958 0.000 1.008 249 N HN 0.123 nan 8.380 nan 0.000 0.424 250 A N 0.957 123.675 122.820 -0.170 0.000 1.908 250 A HA -0.029 4.291 4.320 -0.001 0.000 0.218 250 A C 2.400 179.940 177.584 -0.073 0.000 1.181 250 A CA 1.861 53.830 52.037 -0.114 0.000 0.627 250 A CB -0.913 18.011 19.000 -0.126 0.000 0.818 250 A HN 0.514 nan 8.150 nan 0.000 0.445 251 A N -0.456 122.322 122.820 -0.071 0.000 1.898 251 A HA -0.150 4.169 4.320 -0.001 0.000 0.216 251 A C 2.284 179.906 177.584 0.063 0.000 1.181 251 A CA 1.617 53.640 52.037 -0.022 0.000 0.620 251 A CB -0.530 18.434 19.000 -0.061 0.000 0.819 251 A HN 0.461 nan 8.150 nan 0.000 0.442 252 R N 0.336 120.901 120.500 0.109 0.000 2.091 252 R HA -0.168 4.172 4.340 -0.001 0.000 0.238 252 R C 1.804 178.134 176.300 0.049 0.000 1.136 252 R CA 2.103 58.265 56.100 0.104 0.000 0.959 252 R CB -0.523 29.845 30.300 0.112 0.000 0.856 252 R HN 0.711 nan 8.270 nan 0.000 0.437 253 E N 0.236 120.446 120.200 0.016 0.000 2.077 253 E HA -0.244 4.106 4.350 -0.001 0.000 0.193 253 E C 2.099 178.706 176.600 0.012 0.000 0.989 253 E CA 1.313 57.715 56.400 0.005 0.000 0.800 253 E CB -0.091 29.600 29.700 -0.016 0.000 0.746 253 E HN 0.460 nan 8.360 nan 0.000 0.452 254 Q N 0.756 120.566 119.800 0.016 0.000 2.084 254 Q HA -0.184 4.155 4.340 -0.001 0.000 0.202 254 Q C 2.149 178.198 176.000 0.081 0.000 0.978 254 Q CA 1.294 57.123 55.803 0.045 0.000 0.844 254 Q CB -0.039 28.719 28.738 0.033 0.000 0.898 254 Q HN 0.273 nan 8.270 nan 0.000 0.426 255 I N 0.510 121.114 120.570 0.056 0.000 2.179 255 I HA -0.288 3.882 4.170 -0.001 0.000 0.242 255 I C 2.431 178.561 176.117 0.022 0.000 1.088 255 I CA 1.047 62.378 61.300 0.052 0.000 1.357 255 I CB -0.427 37.602 38.000 0.047 0.000 1.051 255 I HN 0.309 nan 8.210 nan 0.000 0.409 256 A N 0.607 123.424 122.820 -0.006 0.000 1.908 256 A HA -0.207 4.113 4.320 -0.001 0.000 0.218 256 A C 2.371 179.915 177.584 -0.067 0.000 1.181 256 A CA 1.413 53.412 52.037 -0.063 0.000 0.627 256 A CB -0.480 18.509 19.000 -0.020 0.000 0.818 256 A HN 0.246 nan 8.150 nan 0.000 0.445 257 R N -1.030 119.456 120.500 -0.024 0.000 2.091 257 R HA -0.160 4.180 4.340 -0.001 0.000 0.238 257 R C 1.992 178.239 176.300 -0.088 0.000 1.136 257 R CA 1.972 58.043 56.100 -0.049 0.000 0.959 257 R CB -0.980 29.295 30.300 -0.041 0.000 0.856 257 R HN 0.789 nan 8.270 nan 0.000 0.437 258 H N 0.238 119.272 119.070 -0.059 0.000 2.389 258 H HA 0.046 4.601 4.556 -0.000 0.000 0.299 258 H C 1.988 177.269 175.328 -0.079 0.000 1.081 258 H CA 1.353 57.369 56.048 -0.054 0.000 1.345 258 H CB 0.035 29.774 29.762 -0.038 0.000 1.393 258 H HN 0.033 nan 8.280 nan 0.000 0.520 259 L N -1.657 119.544 121.223 -0.038 0.000 2.341 259 L HA 0.099 4.438 4.340 -0.001 0.000 0.214 259 L C 1.651 178.409 176.870 -0.186 0.000 1.115 259 L CA 0.653 55.390 54.840 -0.171 0.000 0.820 259 L CB 0.087 41.894 42.059 -0.421 0.000 0.944 259 L HN 0.575 nan 8.230 nan 0.000 0.452 260 G N 0.363 109.078 108.800 -0.143 0.000 2.143 260 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.249 260 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.249 260 G C 0.052 174.976 174.900 0.040 0.000 0.981 260 G CA 0.476 45.551 45.100 -0.040 0.000 0.665 260 G HN 0.692 nan 8.290 nan 0.000 0.528 261 H N -3.070 116.010 119.070 0.016 0.000 3.014 261 H HA 0.691 5.247 4.556 -0.001 0.000 0.337 261 H C -3.221 172.122 175.328 0.025 0.000 1.320 261 H CA -1.907 54.151 56.048 0.017 0.000 1.128 261 H CB 0.134 29.904 29.762 0.014 0.000 1.862 261 H HN 0.080 nan 8.280 nan 0.000 0.536 262 P HA 0.136 nan 4.420 nan 0.000 0.265 262 P C -0.690 176.734 177.300 0.206 0.000 1.193 262 P CA -0.268 62.923 63.100 0.151 0.000 0.765 262 P CB 0.650 32.424 31.700 0.124 0.000 0.823 263 V N 4.262 124.248 119.914 0.120 0.000 2.487 263 V HA 0.252 4.371 4.120 -0.001 0.000 0.298 263 V C 0.381 176.548 176.094 0.121 0.000 1.028 263 V CA -0.786 61.585 62.300 0.118 0.000 0.860 263 V CB 1.661 33.524 31.823 0.067 0.000 0.991 263 V HN 0.430 nan 8.190 nan 0.000 0.427 264 K N 3.470 123.947 120.400 0.129 0.000 2.270 264 K HA 0.455 4.775 4.320 -0.001 0.000 0.276 264 K C -0.794 175.916 176.600 0.183 0.000 1.023 264 K CA -0.541 55.836 56.287 0.151 0.000 0.955 264 K CB 1.128 33.719 32.500 0.152 0.000 0.975 264 K HN 0.393 nan 8.250 nan 0.000 0.471 265 L N 3.016 124.363 121.223 0.207 0.000 2.294 265 L HA 0.223 4.563 4.340 -0.001 0.000 0.283 265 L C -0.678 176.359 176.870 0.278 0.000 1.015 265 L CA 0.059 55.045 54.840 0.243 0.000 0.831 265 L CB 1.036 43.253 42.059 0.264 0.000 1.217 265 L HN 0.541 nan 8.230 nan 0.000 0.420 266 E N 4.805 125.126 120.200 0.202 0.000 2.242 266 E HA 0.446 4.795 4.350 -0.001 0.000 0.275 266 E C -1.066 175.495 176.600 -0.065 0.000 1.002 266 E CA -0.695 55.767 56.400 0.102 0.000 0.841 266 E CB 2.918 32.648 29.700 0.051 0.000 1.109 266 E HN 0.596 nan 8.360 nan 0.000 0.394 267 I N 0.695 121.144 120.570 -0.201 0.000 2.569 267 I HA 0.169 4.338 4.170 -0.001 0.000 0.296 267 I C -0.718 175.223 176.117 -0.293 0.000 1.028 267 I CA -0.320 60.712 61.300 -0.446 0.000 1.082 267 I CB 1.617 39.031 38.000 -0.977 0.000 1.264 267 I HN 0.512 nan 8.210 nan 0.000 0.429 268 E N 8.152 128.198 120.200 -0.258 0.000 3.786 268 E HA 0.386 4.736 4.350 -0.001 0.000 0.215 268 E C -2.550 173.970 176.600 -0.133 0.000 1.188 268 E CA -2.072 54.218 56.400 -0.183 0.000 1.248 268 E CB 0.650 30.235 29.700 -0.192 0.000 1.260 268 E HN 0.332 nan 8.360 nan 0.000 0.426 269 P HA 0.164 nan 4.420 nan 0.000 0.275 269 P C 0.126 177.495 177.300 0.115 0.000 1.228 269 P CA 0.080 63.194 63.100 0.024 0.000 0.786 269 P CB 2.124 33.864 31.700 0.067 0.000 0.927 270 G N 2.270 111.145 108.800 0.124 0.000 2.531 270 G HA2 -0.006 3.954 3.960 -0.001 0.000 0.210 270 G HA3 -0.006 3.954 3.960 -0.001 0.000 0.210 270 G C 1.468 176.505 174.900 0.229 0.000 1.547 270 G CA -0.012 45.145 45.100 0.095 0.000 0.740 270 G HN 0.436 nan 8.290 nan 0.000 0.611 271 R N -0.526 120.108 120.500 0.224 0.000 2.112 271 R HA -0.155 4.184 4.340 -0.001 0.000 0.242 271 R C 2.307 178.732 176.300 0.208 0.000 1.137 271 R CA 2.094 58.342 56.100 0.246 0.000 0.944 271 R CB -0.619 29.906 30.300 0.376 0.000 0.857 271 R HN 0.289 nan 8.270 nan 0.000 0.435 272 F N 1.247 121.237 119.950 0.067 0.000 2.120 272 F HA -0.219 4.308 4.527 -0.001 0.000 0.300 272 F C 1.871 177.668 175.800 -0.006 0.000 1.095 272 F CA 1.592 59.595 58.000 0.004 0.000 1.249 272 F CB -0.155 38.816 39.000 -0.048 0.000 0.995 272 F HN 0.035 nan 8.300 nan 0.000 0.480 273 L N -0.372 120.905 121.223 0.090 0.000 2.109 273 L HA -0.114 4.225 4.340 -0.001 0.000 0.207 273 L C 2.126 178.897 176.870 -0.166 0.000 1.086 273 L CA 1.386 56.175 54.840 -0.086 0.000 0.760 273 L CB -0.614 41.396 42.059 -0.081 0.000 0.910 273 L HN 0.297 nan 8.230 nan 0.000 0.437 274 V N -5.746 114.128 119.914 -0.068 0.000 3.612 274 V HA 0.353 4.473 4.120 -0.001 0.000 0.268 274 V C 2.257 178.371 176.094 0.034 0.000 1.365 274 V CA 0.492 62.766 62.300 -0.044 0.000 1.044 274 V CB 0.070 31.878 31.823 -0.025 0.000 0.820 274 V HN 0.119 nan 8.190 nan 0.000 0.444 275 A N 1.134 123.982 122.820 0.046 0.000 1.859 275 A HA -0.291 4.028 4.320 -0.001 0.000 0.217 275 A C 2.139 179.784 177.584 0.101 0.000 1.198 275 A CA 2.599 54.707 52.037 0.119 0.000 0.629 275 A CB -0.812 18.255 19.000 0.111 0.000 0.830 275 A HN 0.642 nan 8.150 nan 0.000 0.446 276 Q N 0.027 119.827 119.800 0.000 0.000 2.436 276 Q HA -0.072 4.267 4.340 -0.001 0.000 0.209 276 Q C 2.144 178.163 176.000 0.030 0.000 0.965 276 Q CA 1.193 57.007 55.803 0.018 0.000 0.910 276 Q CB -0.180 28.521 28.738 -0.063 0.000 0.980 276 Q HN 0.857 nan 8.270 nan 0.000 0.491 277 S N -0.741 114.972 115.700 0.022 0.000 2.489 277 S HA 0.046 4.515 4.470 -0.001 0.000 0.228 277 S C 0.896 175.541 174.600 0.075 0.000 0.995 277 S CA 0.226 58.444 58.200 0.030 0.000 0.934 277 S CB 0.214 63.440 63.200 0.044 0.000 0.771 277 S HN 0.246 nan 8.310 nan 0.000 0.522 278 G N 0.972 109.826 108.800 0.090 0.000 2.420 278 G HA2 0.623 4.583 3.960 -0.001 0.000 0.331 278 G HA3 0.623 4.583 3.960 -0.001 0.000 0.331 278 G C -0.746 174.152 174.900 -0.004 0.000 1.168 278 G CA -0.353 44.721 45.100 -0.044 0.000 0.936 278 G HN 0.860 nan 8.290 nan 0.000 0.479 279 V N -0.389 119.476 119.914 -0.081 0.000 3.141 279 V HA 0.879 4.999 4.120 -0.001 0.000 0.312 279 V C -1.144 174.923 176.094 -0.045 0.000 1.157 279 V CA -1.337 60.936 62.300 -0.044 0.000 1.041 279 V CB 1.879 33.634 31.823 -0.114 0.000 1.071 279 V HN 0.792 nan 8.190 nan 0.000 0.441 280 L N 2.359 123.526 121.223 -0.093 0.000 2.376 280 L HA 0.705 5.045 4.340 -0.001 0.000 0.275 280 L C -0.814 175.910 176.870 -0.243 0.000 0.987 280 L CA -0.315 54.377 54.840 -0.245 0.000 0.828 280 L CB 1.176 42.996 42.059 -0.398 0.000 1.249 280 L HN 0.705 nan 8.230 nan 0.000 0.409 281 I N 4.159 124.591 120.570 -0.230 0.000 2.336 281 I HA 0.489 4.659 4.170 -0.001 0.000 0.292 281 I C 0.019 176.066 176.117 -0.116 0.000 0.991 281 I CA -0.312 60.899 61.300 -0.149 0.000 1.227 281 I CB 1.742 39.659 38.000 -0.138 0.000 1.366 281 I HN 0.644 nan 8.210 nan 0.000 0.466 282 T N 5.443 119.978 114.554 -0.032 0.000 2.933 282 T HA 0.220 4.569 4.350 -0.001 0.000 0.305 282 T C -0.934 173.814 174.700 0.081 0.000 1.092 282 T CA -0.514 61.577 62.100 -0.015 0.000 1.008 282 T CB 1.750 70.542 68.868 -0.127 0.000 1.102 282 T HN 0.652 nan 8.240 nan 0.000 0.469 283 Q N 3.120 122.941 119.800 0.035 0.000 2.293 283 Q HA 0.500 4.839 4.340 -0.001 0.000 0.251 283 Q C -0.594 175.307 176.000 -0.164 0.000 0.930 283 Q CA -0.640 55.047 55.803 -0.194 0.000 0.893 283 Q CB 1.076 29.666 28.738 -0.247 0.000 1.215 283 Q HN 0.594 nan 8.270 nan 0.000 0.425 284 V N 5.427 125.215 119.914 -0.210 0.000 2.521 284 V HA 0.043 4.162 4.120 -0.001 0.000 0.286 284 V C 0.943 176.966 176.094 -0.119 0.000 1.034 284 V CA 0.142 62.368 62.300 -0.124 0.000 1.045 284 V CB 0.823 32.583 31.823 -0.104 0.000 0.974 284 V HN 0.813 nan 8.190 nan 0.000 0.480 285 R N 2.101 122.556 120.500 -0.074 0.000 2.257 285 R HA 0.310 4.650 4.340 -0.001 0.000 0.195 285 R C 0.151 176.422 176.300 -0.048 0.000 0.921 285 R CA 0.212 56.273 56.100 -0.064 0.000 1.069 285 R CB 0.632 30.901 30.300 -0.053 0.000 1.115 285 R HN 0.605 nan 8.270 nan 0.000 0.571 286 S N 0.268 115.946 115.700 -0.036 0.000 2.575 286 S HA 0.526 4.996 4.470 -0.001 0.000 0.278 286 S C -0.996 173.588 174.600 -0.027 0.000 1.139 286 S CA -0.604 57.578 58.200 -0.031 0.000 0.954 286 S CB 3.067 66.247 63.200 -0.032 0.000 1.054 286 S HN -0.145 nan 8.310 nan 0.000 0.483 287 V N 4.147 124.044 119.914 -0.029 0.000 2.483 287 V HA 0.694 4.814 4.120 -0.001 0.000 0.297 287 V C -0.401 175.671 176.094 -0.038 0.000 1.027 287 V CA -0.705 61.565 62.300 -0.050 0.000 0.855 287 V CB 1.462 33.275 31.823 -0.017 0.000 0.995 287 V HN 0.943 nan 8.190 nan 0.000 0.424 288 K N 2.968 123.330 120.400 -0.063 0.000 2.556 288 K HA 0.742 5.061 4.320 -0.001 0.000 0.274 288 K C -1.425 175.194 176.600 0.032 0.000 0.966 288 K CA -1.122 55.159 56.287 -0.008 0.000 0.865 288 K CB 2.386 34.872 32.500 -0.024 0.000 1.444 288 K HN 0.350 nan 8.250 nan 0.000 0.433 289 Q N 1.969 121.820 119.800 0.085 0.000 2.278 289 Q HA 0.344 4.683 4.340 -0.001 0.000 0.257 289 Q C -1.125 174.933 176.000 0.096 0.000 0.928 289 Q CA -0.223 55.664 55.803 0.141 0.000 0.932 289 Q CB 1.187 30.009 28.738 0.139 0.000 1.221 289 Q HN 0.613 nan 8.270 nan 0.000 0.434 290 M N 4.087 123.777 119.600 0.149 0.000 2.060 290 M HA 0.398 4.877 4.480 -0.001 0.000 0.342 290 M C 0.715 177.081 176.300 0.110 0.000 1.031 290 M CA 0.003 55.348 55.300 0.076 0.000 0.981 290 M CB 0.082 32.672 32.600 -0.018 0.000 1.376 290 M HN 0.845 nan 8.290 nan 0.000 0.397 291 G N 3.117 111.959 108.800 0.069 0.000 2.602 291 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.310 291 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.310 291 G C 0.700 175.649 174.900 0.082 0.000 1.183 291 G CA 0.986 46.125 45.100 0.065 0.000 0.979 291 G HN 0.804 nan 8.290 nan 0.000 0.545 292 S N 1.008 116.759 115.700 0.085 0.000 2.575 292 S HA 0.376 4.846 4.470 -0.001 0.000 0.215 292 S C 0.886 175.549 174.600 0.104 0.000 0.966 292 S CA 0.498 58.746 58.200 0.081 0.000 0.911 292 S CB 0.206 63.441 63.200 0.059 0.000 0.780 292 S HN 0.661 nan 8.310 nan 0.000 0.514 293 R N 1.977 122.570 120.500 0.154 0.000 2.407 293 R HA 0.318 4.657 4.340 -0.001 0.000 0.303 293 R C -0.700 175.743 176.300 0.238 0.000 0.981 293 R CA -0.376 55.825 56.100 0.169 0.000 0.905 293 R CB 0.465 30.911 30.300 0.243 0.000 1.099 293 R HN 0.461 nan 8.270 nan 0.000 0.459 294 H N 3.614 122.708 119.070 0.040 0.000 2.597 294 H HA 0.263 4.818 4.556 -0.001 0.000 0.303 294 H C -0.930 174.398 175.328 -0.000 0.000 1.057 294 H CA -0.370 55.714 56.048 0.059 0.000 1.261 294 H CB 0.280 30.052 29.762 0.016 0.000 1.397 294 H HN 0.282 nan 8.280 nan 0.000 0.461 295 F N 4.018 123.771 119.950 -0.328 0.000 2.421 295 F HA 0.262 4.788 4.527 -0.001 0.000 0.337 295 F C -0.117 175.497 175.800 -0.309 0.000 1.105 295 F CA -0.559 57.305 58.000 -0.227 0.000 1.049 295 F CB 1.662 40.590 39.000 -0.121 0.000 1.139 295 F HN 0.210 nan 8.300 nan 0.000 0.479 296 V N 5.696 125.590 119.914 -0.034 0.000 2.409 296 V HA 0.345 4.464 4.120 -0.001 0.000 0.290 296 V C -0.409 175.725 176.094 0.066 0.000 1.017 296 V CA -0.746 61.541 62.300 -0.021 0.000 0.841 296 V CB 1.435 33.236 31.823 -0.036 0.000 1.003 296 V HN 0.483 nan 8.190 nan 0.000 0.426 297 L N 6.249 127.510 121.223 0.063 0.000 2.289 297 L HA 0.720 5.059 4.340 -0.001 0.000 0.285 297 L C 0.089 176.981 176.870 0.037 0.000 1.049 297 L CA -0.599 54.287 54.840 0.077 0.000 0.804 297 L CB 1.607 43.695 42.059 0.049 0.000 1.195 297 L HN 0.548 nan 8.230 nan 0.000 0.428 298 V N -0.827 119.127 119.914 0.066 0.000 3.234 298 V HA 0.452 4.572 4.120 -0.001 0.000 0.317 298 V C 0.387 176.497 176.094 0.027 0.000 1.147 298 V CA -0.638 61.676 62.300 0.023 0.000 1.037 298 V CB 1.819 33.644 31.823 0.003 0.000 1.148 298 V HN 0.794 nan 8.190 nan 0.000 0.455 299 D N 0.102 120.497 120.400 -0.007 0.000 2.340 299 D HA 0.300 4.940 4.640 -0.001 0.000 0.220 299 D C 0.578 176.873 176.300 -0.008 0.000 1.039 299 D CA 0.662 54.653 54.000 -0.014 0.000 0.866 299 D CB 0.071 40.854 40.800 -0.029 0.000 0.913 299 D HN 0.946 nan 8.370 nan 0.000 0.523 300 A N -0.229 122.601 122.820 0.017 0.000 2.312 300 A HA 0.743 5.062 4.320 -0.001 0.000 0.326 300 A C 0.431 178.165 177.584 0.249 0.000 1.172 300 A CA -0.181 51.882 52.037 0.043 0.000 0.821 300 A CB 1.474 20.426 19.000 -0.079 0.000 1.166 300 A HN 0.257 nan 8.150 nan 0.000 0.493 301 G N -0.629 108.286 108.800 0.192 0.000 3.140 301 G HA2 0.495 4.455 3.960 -0.001 0.000 0.271 301 G HA3 0.495 4.455 3.960 -0.001 0.000 0.271 301 G C 0.283 175.263 174.900 0.133 0.000 1.370 301 G CA 0.025 45.179 45.100 0.091 0.000 1.014 301 G HN 1.098 nan 8.290 nan 0.000 0.541 302 F N 0.953 120.867 119.950 -0.060 0.000 2.365 302 F HA -0.052 4.475 4.527 -0.001 0.000 0.300 302 F C 2.138 178.008 175.800 0.117 0.000 1.090 302 F CA 1.119 59.117 58.000 -0.002 0.000 1.408 302 F CB -0.704 38.242 39.000 -0.089 0.000 1.060 302 F HN 0.399 nan 8.300 nan 0.000 0.534 303 N N 0.758 119.557 118.700 0.165 0.000 2.223 303 N HA -0.217 4.522 4.740 -0.001 0.000 0.185 303 N C 0.924 176.607 175.510 0.287 0.000 1.016 303 N CA 1.701 54.899 53.050 0.247 0.000 0.863 303 N CB -0.721 37.839 38.487 0.120 0.000 0.983 303 N HN 0.401 nan 8.380 nan 0.000 0.429 304 D N 0.752 121.318 120.400 0.277 0.000 2.113 304 D HA -0.007 4.633 4.640 -0.001 0.000 0.206 304 D C 0.476 177.115 176.300 0.564 0.000 0.979 304 D CA 0.465 54.685 54.000 0.367 0.000 0.862 304 D CB -0.096 40.780 40.800 0.127 0.000 1.013 304 D HN 0.205 nan 8.370 nan 0.000 0.455 305 L N 1.729 123.246 121.223 0.490 0.000 2.295 305 L HA 0.181 4.520 4.340 -0.001 0.000 0.281 305 L C 0.770 177.889 176.870 0.416 0.000 1.018 305 L CA -0.132 55.015 54.840 0.512 0.000 0.841 305 L CB 1.205 43.515 42.059 0.417 0.000 1.218 305 L HN -0.142 nan 8.230 nan 0.000 0.424 306 M N 2.282 122.084 119.600 0.336 0.000 2.288 306 M HA 0.014 4.494 4.480 -0.001 0.000 0.266 306 M C 1.852 178.220 176.300 0.114 0.000 1.072 306 M CA 1.079 56.501 55.300 0.204 0.000 1.132 306 M CB -0.509 32.189 32.600 0.164 0.000 1.386 306 M HN 0.674 nan 8.290 nan 0.000 0.432 307 R N 0.291 120.947 120.500 0.261 0.000 2.136 307 R HA -0.214 4.126 4.340 -0.001 0.000 0.242 307 R C -0.504 175.929 176.300 0.223 0.000 1.131 307 R CA 1.948 58.249 56.100 0.335 0.000 0.937 307 R CB -2.187 28.379 30.300 0.444 0.000 0.863 307 R HN 0.286 nan 8.270 nan 0.000 0.435 308 P HA -0.130 nan 4.420 nan 0.000 0.214 308 P C 1.006 178.316 177.300 0.018 0.000 1.162 308 P CA 1.897 65.097 63.100 0.167 0.000 0.879 308 P CB -0.062 31.807 31.700 0.281 0.000 0.786 309 A N -0.922 121.853 122.820 -0.076 0.000 1.898 309 A HA -0.164 4.156 4.320 -0.001 0.000 0.216 309 A C 2.121 179.493 177.584 -0.353 0.000 1.181 309 A CA 1.890 53.798 52.037 -0.216 0.000 0.620 309 A CB -1.359 17.472 19.000 -0.282 0.000 0.819 309 A HN 0.033 nan 8.150 nan 0.000 0.442 310 M N -2.031 117.275 119.600 -0.489 0.000 2.193 310 M HA 0.017 4.497 4.480 -0.001 0.000 0.265 310 M C 1.371 177.266 176.300 -0.674 0.000 1.071 310 M CA 1.466 56.322 55.300 -0.741 0.000 1.140 310 M CB -1.095 30.849 32.600 -1.093 0.000 1.369 310 M HN 0.618 nan 8.290 nan 0.000 0.423 311 Y N -0.939 119.324 120.300 -0.061 0.000 2.453 311 Y HA 0.430 4.979 4.550 -0.001 0.000 0.247 311 Y C 1.492 177.383 175.900 -0.016 0.000 1.124 311 Y CA 0.128 58.206 58.100 -0.037 0.000 1.243 311 Y CB 0.286 38.728 38.460 -0.030 0.000 1.213 311 Y HN 0.432 nan 8.280 nan 0.000 0.523 312 G N 0.937 109.793 108.800 0.093 0.000 2.137 312 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.237 312 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.237 312 G C -0.031 174.938 174.900 0.114 0.000 1.002 312 G CA 0.234 45.386 45.100 0.087 0.000 0.702 312 G HN 0.214 nan 8.290 nan 0.000 0.515 313 S N -0.638 115.142 115.700 0.133 0.000 2.568 313 S HA 0.386 4.856 4.470 -0.001 0.000 0.282 313 S C -0.022 174.616 174.600 0.063 0.000 1.338 313 S CA -0.206 58.033 58.200 0.064 0.000 1.045 313 S CB 1.000 64.215 63.200 0.025 0.000 0.873 313 S HN 0.492 nan 8.310 nan 0.000 0.516 314 Y N 2.199 122.414 120.300 -0.142 0.000 2.327 314 Y HA 0.328 4.878 4.550 -0.001 0.000 0.336 314 Y C -0.131 175.603 175.900 -0.276 0.000 1.035 314 Y CA -0.170 57.879 58.100 -0.086 0.000 1.165 314 Y CB 0.493 38.944 38.460 -0.016 0.000 1.181 314 Y HN 0.691 nan 8.280 nan 0.000 0.494 315 H N 3.503 122.403 119.070 -0.283 0.000 2.609 315 H HA 0.221 4.777 4.556 -0.001 0.000 0.344 315 H C -1.005 174.160 175.328 -0.272 0.000 1.040 315 H CA -0.854 55.162 56.048 -0.055 0.000 1.216 315 H CB 0.712 30.486 29.762 0.019 0.000 1.529 315 H HN 0.716 nan 8.280 nan 0.000 0.519 316 H N 2.565 121.676 119.070 0.070 0.000 2.948 316 H HA 0.185 4.740 4.556 -0.001 0.000 0.351 316 H C -0.507 174.778 175.328 -0.071 0.000 1.079 316 H CA 0.545 56.571 56.048 -0.037 0.000 1.407 316 H CB 0.352 30.052 29.762 -0.104 0.000 1.373 316 H HN 0.504 nan 8.280 nan 0.000 0.605 317 I N 3.587 123.735 120.570 -0.704 0.000 2.466 317 I HA 0.220 4.390 4.170 -0.001 0.000 0.289 317 I C -0.344 175.524 176.117 -0.415 0.000 1.026 317 I CA -0.394 60.688 61.300 -0.362 0.000 1.078 317 I CB 1.878 39.728 38.000 -0.251 0.000 1.249 317 I HN 0.487 nan 8.210 nan 0.000 0.429 318 S N 3.463 119.125 115.700 -0.064 0.000 2.648 318 S HA 0.859 5.328 4.470 -0.001 0.000 0.305 318 S C -0.510 174.113 174.600 0.039 0.000 1.094 318 S CA -0.647 57.572 58.200 0.030 0.000 0.983 318 S CB 2.073 65.411 63.200 0.229 0.000 1.101 318 S HN 0.675 nan 8.310 nan 0.000 0.514 319 A N 1.646 124.503 122.820 0.063 0.000 2.350 319 A HA 0.831 5.151 4.320 -0.001 0.000 0.324 319 A C -1.302 176.345 177.584 0.106 0.000 1.118 319 A CA -0.622 51.456 52.037 0.069 0.000 0.783 319 A CB 0.481 19.515 19.000 0.056 0.000 1.236 319 A HN 0.725 nan 8.150 nan 0.000 0.457 320 L N 1.997 123.291 121.223 0.118 0.000 2.349 320 L HA 0.616 4.956 4.340 -0.001 0.000 0.278 320 L C 0.557 177.519 176.870 0.154 0.000 0.996 320 L CA -0.703 54.221 54.840 0.141 0.000 0.825 320 L CB 1.836 43.974 42.059 0.133 0.000 1.243 320 L HN 0.837 nan 8.230 nan 0.000 0.412 321 A N 2.148 125.043 122.820 0.126 0.000 2.462 321 A HA 0.498 4.817 4.320 -0.001 0.000 0.243 321 A C 1.306 178.970 177.584 0.133 0.000 1.076 321 A CA 0.466 52.565 52.037 0.103 0.000 0.773 321 A CB 0.815 19.862 19.000 0.079 0.000 1.010 321 A HN 0.977 nan 8.150 nan 0.000 0.493 322 A N 1.828 124.715 122.820 0.111 0.000 1.917 322 A HA -0.192 4.127 4.320 -0.001 0.000 0.219 322 A C 1.479 179.130 177.584 0.113 0.000 1.182 322 A CA 2.180 54.299 52.037 0.137 0.000 0.633 322 A CB -0.507 18.527 19.000 0.057 0.000 0.819 322 A HN 0.926 nan 8.150 nan 0.000 0.448 323 D N -2.679 117.767 120.400 0.077 0.000 2.339 323 D HA 0.296 4.935 4.640 -0.001 0.000 0.217 323 D C 1.124 177.461 176.300 0.061 0.000 1.050 323 D CA 0.927 54.963 54.000 0.060 0.000 0.856 323 D CB -0.504 40.322 40.800 0.044 0.000 0.922 323 D HN 0.876 nan 8.370 nan 0.000 0.518 324 G N 1.255 110.101 108.800 0.076 0.000 2.176 324 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.253 324 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.253 324 G C 0.354 175.299 174.900 0.077 0.000 0.979 324 G CA 0.095 45.241 45.100 0.077 0.000 0.641 324 G HN 0.695 nan 8.290 nan 0.000 0.530 325 R N 0.519 121.058 120.500 0.065 0.000 2.679 325 R HA 0.466 4.806 4.340 -0.001 0.000 0.268 325 R C 0.311 176.650 176.300 0.064 0.000 1.044 325 R CA 0.514 56.647 56.100 0.055 0.000 1.105 325 R CB 0.556 30.881 30.300 0.041 0.000 0.989 325 R HN 0.522 nan 8.270 nan 0.000 0.447 326 S N 2.076 117.801 115.700 0.042 0.000 2.549 326 S HA 0.139 4.608 4.470 -0.001 0.000 0.279 326 S C 0.914 175.509 174.600 -0.009 0.000 1.321 326 S CA -0.646 57.561 58.200 0.011 0.000 1.054 326 S CB 0.252 63.405 63.200 -0.079 0.000 0.899 326 S HN 0.629 nan 8.310 nan 0.000 0.497 327 L N 4.238 125.464 121.223 0.005 0.000 2.808 327 L HA 0.260 4.599 4.340 -0.001 0.000 0.246 327 L C 1.948 178.764 176.870 -0.090 0.000 1.153 327 L CA -0.065 54.775 54.840 -0.000 0.000 0.956 327 L CB -0.200 41.895 42.059 0.062 0.000 1.270 327 L HN 0.712 nan 8.230 nan 0.000 0.528 328 E N 0.647 120.664 120.200 -0.306 0.000 2.068 328 E HA -0.269 4.081 4.350 -0.001 0.000 0.207 328 E C 0.812 177.098 176.600 -0.523 0.000 1.032 328 E CA 2.011 58.035 56.400 -0.627 0.000 0.839 328 E CB -0.082 28.940 29.700 -1.130 0.000 0.758 328 E HN 0.643 nan 8.360 nan 0.000 0.457 329 H N -1.115 117.889 119.070 -0.110 0.000 2.505 329 H HA 0.406 4.962 4.556 -0.001 0.000 0.286 329 H C -0.239 175.068 175.328 -0.034 0.000 1.072 329 H CA -0.253 55.758 56.048 -0.062 0.000 1.141 329 H CB 0.744 30.466 29.762 -0.066 0.000 1.550 329 H HN 0.086 nan 8.280 nan 0.000 0.547 330 A N 2.353 125.194 122.820 0.034 0.000 2.483 330 A HA 0.211 4.530 4.320 -0.001 0.000 0.238 330 A C -1.702 175.901 177.584 0.032 0.000 1.070 330 A CA -1.147 50.909 52.037 0.032 0.000 0.770 330 A CB 0.008 19.019 19.000 0.019 0.000 1.008 330 A HN 0.145 nan 8.150 nan 0.000 0.497 331 P HA 0.204 nan 4.420 nan 0.000 0.268 331 P C 0.002 177.308 177.300 0.010 0.000 1.208 331 P CA 0.172 63.282 63.100 0.016 0.000 0.777 331 P CB 0.337 32.041 31.700 0.005 0.000 0.875 332 T N -1.664 112.896 114.554 0.009 0.000 2.945 332 T HA 0.641 4.991 4.350 -0.001 0.000 0.286 332 T C 0.006 174.699 174.700 -0.012 0.000 1.025 332 T CA -0.808 61.295 62.100 0.006 0.000 1.039 332 T CB 1.358 70.237 68.868 0.018 0.000 1.068 332 T HN 0.392 nan 8.240 nan 0.000 0.497 333 V N -1.139 118.762 119.914 -0.021 0.000 2.656 333 V HA 0.617 4.737 4.120 -0.001 0.000 0.307 333 V C -0.430 175.660 176.094 -0.008 0.000 1.051 333 V CA -1.170 61.101 62.300 -0.048 0.000 0.893 333 V CB 1.813 33.545 31.823 -0.152 0.000 0.999 333 V HN 0.875 nan 8.190 nan 0.000 0.426 334 E N 2.673 122.870 120.200 -0.004 0.000 2.383 334 E HA 0.285 4.635 4.350 -0.001 0.000 0.257 334 E C -0.032 176.591 176.600 0.040 0.000 1.079 334 E CA 0.417 56.826 56.400 0.014 0.000 0.934 334 E CB 0.830 30.536 29.700 0.010 0.000 0.978 334 E HN 0.880 nan 8.360 nan 0.000 0.462 335 T N 1.760 116.332 114.554 0.029 0.000 2.863 335 T HA 0.373 4.723 4.350 -0.001 0.000 0.285 335 T C -0.093 174.540 174.700 -0.111 0.000 1.009 335 T CA -0.636 61.481 62.100 0.027 0.000 0.989 335 T CB 1.714 70.623 68.868 0.068 0.000 1.004 335 T HN 0.062 nan 8.240 nan 0.000 0.455 336 V N 3.534 123.271 119.914 -0.295 0.000 2.383 336 V HA 0.363 4.483 4.120 -0.001 0.000 0.275 336 V C -0.030 175.875 176.094 -0.316 0.000 1.036 336 V CA -0.634 61.388 62.300 -0.463 0.000 0.889 336 V CB 1.283 32.444 31.823 -1.104 0.000 0.985 336 V HN 0.694 nan 8.190 nan 0.000 0.459 337 V N 4.759 124.615 119.914 -0.097 0.000 2.394 337 V HA 0.879 4.999 4.120 -0.001 0.000 0.282 337 V C 0.381 176.606 176.094 0.217 0.000 1.031 337 V CA -0.093 62.245 62.300 0.064 0.000 0.881 337 V CB 1.266 33.136 31.823 0.078 0.000 0.982 337 V HN 1.038 nan 8.190 nan 0.000 0.451 338 A N 3.586 126.567 122.820 0.269 0.000 2.569 338 A HA 0.974 5.294 4.320 -0.001 0.000 0.290 338 A C 0.026 177.748 177.584 0.231 0.000 1.136 338 A CA -0.068 52.109 52.037 0.234 0.000 0.710 338 A CB 1.732 20.899 19.000 0.278 0.000 1.303 338 A HN 0.983 nan 8.150 nan 0.000 0.413 339 G N -1.012 107.842 108.800 0.089 0.000 2.671 339 G HA2 0.648 4.608 3.960 -0.001 0.000 0.275 339 G HA3 0.648 4.608 3.960 -0.001 0.000 0.275 339 G C -1.998 172.907 174.900 0.009 0.000 1.368 339 G CA -0.821 44.337 45.100 0.098 0.000 1.044 339 G HN 0.490 nan 8.290 nan 0.000 0.543 340 P HA 0.199 nan 4.420 nan 0.000 0.267 340 P C 0.399 177.626 177.300 -0.121 0.000 1.289 340 P CA -0.144 62.917 63.100 -0.065 0.000 0.866 340 P CB 0.434 32.101 31.700 -0.055 0.000 1.309 341 L N 0.161 121.277 121.223 -0.177 0.000 2.461 341 L HA 0.122 4.461 4.340 -0.001 0.000 0.272 341 L C 0.845 177.591 176.870 -0.206 0.000 1.197 341 L CA -0.390 54.290 54.840 -0.267 0.000 0.836 341 L CB 0.276 42.086 42.059 -0.416 0.000 1.105 341 L HN -0.079 nan 8.230 nan 0.000 0.477 342 C N 2.993 122.157 119.300 -0.226 0.000 2.615 342 C HA 0.294 4.753 4.460 -0.001 0.000 0.503 342 C C 0.314 175.231 174.990 -0.121 0.000 1.039 342 C CA 0.003 58.930 59.018 -0.151 0.000 1.226 342 C CB -1.817 25.843 27.740 -0.134 0.000 1.447 342 C HN 0.665 nan 8.230 nan 0.000 0.572 343 E N 0.157 120.309 120.200 -0.080 0.000 2.343 343 E HA 0.204 4.553 4.350 -0.001 0.000 0.288 343 E C 0.692 177.326 176.600 0.056 0.000 0.907 343 E CA -0.134 56.282 56.400 0.027 0.000 0.792 343 E CB 0.864 30.603 29.700 0.064 0.000 1.275 343 E HN 0.295 nan 8.360 nan 0.000 0.402 344 S N 2.242 117.985 115.700 0.071 0.000 2.400 344 S HA -0.103 4.366 4.470 -0.001 0.000 0.232 344 S C 1.760 176.415 174.600 0.091 0.000 1.025 344 S CA 1.072 59.307 58.200 0.058 0.000 0.993 344 S CB -0.355 62.872 63.200 0.044 0.000 0.808 344 S HN 0.611 nan 8.310 nan 0.000 0.478 345 G N 0.827 109.720 108.800 0.155 0.000 2.848 345 G HA2 0.006 3.966 3.960 -0.001 0.000 0.208 345 G HA3 0.006 3.966 3.960 -0.001 0.000 0.208 345 G C 0.302 175.327 174.900 0.209 0.000 1.152 345 G CA 0.244 45.434 45.100 0.149 0.000 0.789 345 G HN 0.537 nan 8.290 nan 0.000 0.531 346 D N 0.956 121.474 120.400 0.196 0.000 2.688 346 D HA 0.262 4.902 4.640 -0.001 0.000 0.228 346 D C -0.455 175.790 176.300 -0.092 0.000 1.116 346 D CA -0.039 54.005 54.000 0.073 0.000 1.023 346 D CB 0.028 40.766 40.800 -0.103 0.000 1.100 346 D HN -0.075 nan 8.370 nan 0.000 0.487 347 V N 3.290 123.137 119.914 -0.111 0.000 2.525 347 V HA 0.230 4.349 4.120 -0.001 0.000 0.299 347 V C 0.661 176.670 176.094 -0.140 0.000 1.034 347 V CA -0.688 61.566 62.300 -0.076 0.000 0.863 347 V CB 1.469 33.323 31.823 0.052 0.000 0.999 347 V HN 0.245 nan 8.190 nan 0.000 0.423 348 F N 1.474 121.458 119.950 0.057 0.000 2.367 348 F HA -0.022 4.505 4.527 -0.001 0.000 0.298 348 F C 1.891 177.691 175.800 -0.001 0.000 1.094 348 F CA 0.840 58.860 58.000 0.034 0.000 1.409 348 F CB 0.219 39.225 39.000 0.009 0.000 1.064 348 F HN 0.565 nan 8.300 nan 0.000 0.528 349 T N 0.010 114.645 114.554 0.135 0.000 3.400 349 T HA 0.389 4.739 4.350 -0.001 0.000 0.364 349 T C -0.484 174.238 174.700 0.038 0.000 1.636 349 T CA -0.666 61.467 62.100 0.054 0.000 1.211 349 T CB -0.293 68.577 68.868 0.003 0.000 1.180 349 T HN 0.353 nan 8.240 nan 0.000 0.730 350 Q N 1.295 121.128 119.800 0.054 0.000 2.379 350 Q HA 0.498 4.837 4.340 -0.001 0.000 0.278 350 Q C -1.132 174.902 176.000 0.057 0.000 1.068 350 Q CA -1.196 54.633 55.803 0.043 0.000 0.816 350 Q CB 1.847 30.601 28.738 0.027 0.000 1.387 350 Q HN 0.470 nan 8.270 nan 0.000 0.413 351 Q N 0.685 120.516 119.800 0.051 0.000 2.249 351 Q HA 0.199 4.539 4.340 -0.001 0.000 0.226 351 Q C -0.663 175.364 176.000 0.045 0.000 0.983 351 Q CA -0.713 55.125 55.803 0.058 0.000 0.930 351 Q CB 1.093 29.861 28.738 0.049 0.000 1.193 351 Q HN 0.637 nan 8.270 nan 0.000 0.508 352 E N -0.481 119.749 120.200 0.051 0.000 2.529 352 E HA 0.023 4.372 4.350 -0.001 0.000 0.259 352 E C 0.381 176.994 176.600 0.022 0.000 0.966 352 E CA 1.055 57.481 56.400 0.043 0.000 0.937 352 E CB -0.060 29.671 29.700 0.052 0.000 0.923 352 E HN 0.800 nan 8.360 nan 0.000 0.468 353 G N 2.717 111.521 108.800 0.007 0.000 2.194 353 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.236 353 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.236 353 G C 0.837 175.733 174.900 -0.007 0.000 0.987 353 G CA 0.175 45.272 45.100 -0.005 0.000 0.635 353 G HN 1.493 nan 8.290 nan 0.000 0.520 354 G N -0.929 107.869 108.800 -0.003 0.000 2.179 354 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.220 354 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.220 354 G C 0.065 174.973 174.900 0.013 0.000 0.990 354 G CA 0.516 45.614 45.100 -0.003 0.000 0.646 354 G HN 1.174 nan 8.290 nan 0.000 0.517 355 N N 0.864 119.575 118.700 0.018 0.000 2.447 355 N HA 0.362 5.101 4.740 -0.001 0.000 0.263 355 N C 0.700 176.229 175.510 0.030 0.000 1.226 355 N CA 0.102 53.167 53.050 0.025 0.000 0.906 355 N CB 1.376 39.878 38.487 0.024 0.000 1.060 355 N HN 0.212 nan 8.380 nan 0.000 0.468 356 V N 2.278 122.213 119.914 0.035 0.000 2.740 356 V HA 0.059 4.178 4.120 -0.001 0.000 0.303 356 V C 0.730 176.833 176.094 0.015 0.000 1.054 356 V CA 0.256 62.573 62.300 0.028 0.000 1.106 356 V CB 0.311 32.161 31.823 0.045 0.000 0.957 356 V HN 0.787 nan 8.190 nan 0.000 0.486 357 E N 2.323 122.524 120.200 0.001 0.000 2.446 357 E HA 0.732 5.082 4.350 -0.001 0.000 0.276 357 E C -0.939 175.646 176.600 -0.025 0.000 0.969 357 E CA -0.967 55.436 56.400 0.005 0.000 0.800 357 E CB 2.153 31.875 29.700 0.037 0.000 1.341 357 E HN 0.596 nan 8.360 nan 0.000 0.460 358 T N -0.920 113.627 114.554 -0.011 0.000 2.950 358 T HA 0.718 5.068 4.350 -0.001 0.000 0.288 358 T C -0.411 174.295 174.700 0.009 0.000 1.035 358 T CA -1.015 61.070 62.100 -0.026 0.000 1.028 358 T CB 1.670 70.525 68.868 -0.021 0.000 1.109 358 T HN 0.486 nan 8.240 nan 0.000 0.514 359 R N 0.305 120.804 120.500 -0.001 0.000 2.621 359 R HA 0.686 5.025 4.340 -0.001 0.000 0.292 359 R C -0.673 175.636 176.300 0.015 0.000 0.969 359 R CA -0.496 55.614 56.100 0.017 0.000 0.887 359 R CB 1.511 31.800 30.300 -0.020 0.000 1.180 359 R HN 1.011 nan 8.270 nan 0.000 0.450 360 A N 5.496 128.334 122.820 0.031 0.000 2.444 360 A HA 0.432 4.752 4.320 -0.001 0.000 0.287 360 A C -0.721 176.873 177.584 0.017 0.000 1.195 360 A CA 0.066 52.119 52.037 0.027 0.000 0.858 360 A CB -0.464 18.560 19.000 0.040 0.000 1.117 360 A HN 0.603 nan 8.150 nan 0.000 0.521 361 L N 3.502 124.733 121.223 0.015 0.000 2.371 361 L HA 0.462 4.801 4.340 -0.001 0.000 0.262 361 L C -2.436 174.447 176.870 0.022 0.000 1.006 361 L CA -2.508 52.339 54.840 0.011 0.000 0.818 361 L CB 2.699 44.761 42.059 0.005 0.000 1.354 361 L HN 0.350 nan 8.230 nan 0.000 0.415 362 P HA -0.053 nan 4.420 nan 0.000 0.269 362 P C -0.882 176.440 177.300 0.036 0.000 1.217 362 P CA -0.112 63.005 63.100 0.028 0.000 0.783 362 P CB 0.424 32.145 31.700 0.035 0.000 0.898 363 E N 1.710 121.927 120.200 0.028 0.000 1.802 363 E HA 0.190 4.539 4.350 -0.001 0.000 0.265 363 E C -0.091 176.546 176.600 0.062 0.000 1.168 363 E CA -0.629 55.799 56.400 0.046 0.000 1.033 363 E CB -0.316 29.383 29.700 -0.002 0.000 1.095 363 E HN 0.204 nan 8.360 nan 0.000 0.436 364 V N 1.151 121.108 119.914 0.073 0.000 3.133 364 V HA 0.380 4.499 4.120 -0.001 0.000 0.305 364 V C -0.006 176.114 176.094 0.044 0.000 1.084 364 V CA -0.523 61.805 62.300 0.046 0.000 1.089 364 V CB 1.167 33.007 31.823 0.028 0.000 1.073 364 V HN 0.404 nan 8.190 nan 0.000 0.477 365 K N 1.510 121.918 120.400 0.013 0.000 2.352 365 K HA 0.792 5.112 4.320 -0.001 0.000 0.240 365 K C -0.257 176.320 176.600 -0.038 0.000 1.017 365 K CA -0.509 55.779 56.287 0.001 0.000 0.851 365 K CB 1.902 34.402 32.500 0.000 0.000 1.261 365 K HN 1.042 nan 8.250 nan 0.000 0.451 366 A N 0.353 123.148 122.820 -0.043 0.000 2.540 366 A HA 0.387 4.706 4.320 -0.001 0.000 0.239 366 A C 1.140 178.661 177.584 -0.104 0.000 1.061 366 A CA 1.261 53.254 52.037 -0.074 0.000 0.758 366 A CB -0.966 18.001 19.000 -0.056 0.000 0.991 366 A HN 0.924 nan 8.150 nan 0.000 0.502 367 G N 1.977 110.670 108.800 -0.178 0.000 2.279 367 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.223 367 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.223 367 G C 0.090 174.770 174.900 -0.367 0.000 1.015 367 G CA 0.322 45.283 45.100 -0.232 0.000 0.621 367 G HN 0.794 nan 8.290 nan 0.000 0.506 368 D N -0.052 120.194 120.400 -0.257 0.000 2.384 368 D HA 0.578 5.217 4.640 -0.001 0.000 0.244 368 D C 0.011 176.068 176.300 -0.406 0.000 1.251 368 D CA 0.335 54.214 54.000 -0.203 0.000 0.961 368 D CB 0.361 41.128 40.800 -0.055 0.000 1.116 368 D HN 0.287 nan 8.370 nan 0.000 0.484 369 Y N -0.786 119.507 120.300 -0.011 0.000 2.509 369 Y HA 0.467 5.016 4.550 -0.001 0.000 0.341 369 Y C 0.104 175.982 175.900 -0.037 0.000 1.038 369 Y CA -0.868 57.214 58.100 -0.030 0.000 1.089 369 Y CB 1.404 39.845 38.460 -0.032 0.000 1.241 369 Y HN -0.032 nan 8.280 nan 0.000 0.468 370 L N 2.514 123.789 121.223 0.087 0.000 2.334 370 L HA 0.691 5.031 4.340 -0.001 0.000 0.273 370 L C -1.068 175.792 176.870 -0.018 0.000 1.013 370 L CA -1.264 53.582 54.840 0.010 0.000 0.816 370 L CB 1.854 43.876 42.059 -0.062 0.000 1.278 370 L HN 0.304 nan 8.230 nan 0.000 0.431 371 V N 3.875 123.775 119.914 -0.023 0.000 2.384 371 V HA 0.349 4.469 4.120 -0.001 0.000 0.287 371 V C -0.065 176.018 176.094 -0.018 0.000 1.020 371 V CA -0.453 61.807 62.300 -0.067 0.000 0.850 371 V CB 1.768 33.523 31.823 -0.112 0.000 0.987 371 V HN 0.475 nan 8.190 nan 0.000 0.436 372 L N 5.665 126.834 121.223 -0.091 0.000 2.260 372 L HA 0.459 4.798 4.340 -0.001 0.000 0.289 372 L C 0.131 177.062 176.870 0.103 0.000 1.057 372 L CA -0.275 54.553 54.840 -0.021 0.000 0.811 372 L CB 0.370 42.302 42.059 -0.212 0.000 1.184 372 L HN 0.642 nan 8.230 nan 0.000 0.429 373 H N 2.194 121.332 119.070 0.114 0.000 2.546 373 H HA 0.153 4.709 4.556 -0.001 0.000 0.365 373 H C -0.082 175.469 175.328 0.372 0.000 1.220 373 H CA -0.436 55.738 56.048 0.210 0.000 1.386 373 H CB 0.484 30.383 29.762 0.228 0.000 1.510 373 H HN 0.546 nan 8.280 nan 0.000 0.591 374 D N 0.095 120.768 120.400 0.454 0.000 2.689 374 D HA -0.158 4.482 4.640 -0.001 0.000 0.237 374 D C 0.205 176.857 176.300 0.588 0.000 1.148 374 D CA 1.285 55.569 54.000 0.473 0.000 0.656 374 D CB -1.556 39.547 40.800 0.506 0.000 1.050 374 D HN 0.755 nan 8.370 nan 0.000 0.426 375 T N -4.222 110.547 114.554 0.359 0.000 3.176 375 T HA 0.404 4.754 4.350 -0.001 0.000 0.263 375 T C 1.724 176.552 174.700 0.214 0.000 1.021 375 T CA 0.339 62.614 62.100 0.292 0.000 0.905 375 T CB 0.803 69.823 68.868 0.254 0.000 1.057 375 T HN 0.198 nan 8.240 nan 0.000 0.558 376 G N 1.214 110.146 108.800 0.219 0.000 2.448 376 G HA2 0.387 4.347 3.960 -0.001 0.000 0.218 376 G HA3 0.387 4.347 3.960 -0.001 0.000 0.218 376 G C 0.614 175.613 174.900 0.166 0.000 1.135 376 G CA 0.219 45.469 45.100 0.251 0.000 0.784 376 G HN 0.842 nan 8.290 nan 0.000 0.543 377 A N -1.103 121.806 122.820 0.148 0.000 2.304 377 A HA 0.641 4.961 4.320 -0.001 0.000 0.323 377 A C -0.077 177.538 177.584 0.053 0.000 1.195 377 A CA -0.786 51.234 52.037 -0.027 0.000 0.826 377 A CB 0.342 19.378 19.000 0.061 0.000 1.184 377 A HN 0.708 nan 8.150 nan 0.000 0.496 378 Y N 0.405 120.770 120.300 0.109 0.000 3.825 378 Y HA -0.343 4.206 4.550 -0.001 0.000 0.221 378 Y C 1.467 177.418 175.900 0.085 0.000 1.195 378 Y CA 0.835 58.993 58.100 0.097 0.000 1.699 378 Y CB -1.529 37.015 38.460 0.140 0.000 1.531 378 Y HN 0.927 nan 8.280 nan 0.000 0.640 379 G N -0.468 108.332 108.800 -0.001 0.000 2.571 379 G HA2 0.283 4.242 3.960 -0.001 0.000 0.225 379 G HA3 0.283 4.242 3.960 -0.001 0.000 0.225 379 G C 1.494 176.105 174.900 -0.481 0.000 1.731 379 G CA 0.302 45.298 45.100 -0.173 0.000 0.858 379 G HN 0.513 nan 8.290 nan 0.000 0.611 380 A N 0.952 123.055 122.820 -1.195 0.000 1.978 380 A HA -0.050 4.269 4.320 -0.001 0.000 0.220 380 A C 2.667 180.097 177.584 -0.256 0.000 1.170 380 A CA 2.852 54.366 52.037 -0.872 0.000 0.636 380 A CB -0.848 17.510 19.000 -1.070 0.000 0.810 380 A HN 0.921 nan 8.150 nan 0.000 0.448 381 S N -0.575 115.009 115.700 -0.193 0.000 2.399 381 S HA -0.109 4.361 4.470 -0.001 0.000 0.231 381 S C 1.742 176.367 174.600 0.042 0.000 1.022 381 S CA 1.654 59.816 58.200 -0.062 0.000 0.983 381 S CB -0.485 62.667 63.200 -0.079 0.000 0.803 381 S HN 0.534 nan 8.310 nan 0.000 0.480 382 M N 1.706 121.364 119.600 0.096 0.000 2.495 382 M HA 0.230 4.709 4.480 -0.001 0.000 0.237 382 M C 0.159 176.559 176.300 0.166 0.000 1.131 382 M CA -0.175 55.220 55.300 0.158 0.000 1.032 382 M CB 0.010 32.745 32.600 0.224 0.000 1.513 382 M HN 0.131 nan 8.290 nan 0.000 0.488 383 S N 1.584 117.386 115.700 0.170 0.000 2.558 383 S HA 0.124 4.594 4.470 -0.001 0.000 0.287 383 S C 0.486 175.198 174.600 0.188 0.000 1.321 383 S CA -0.302 58.036 58.200 0.231 0.000 1.048 383 S CB 0.468 63.840 63.200 0.286 0.000 0.844 383 S HN 0.513 nan 8.310 nan 0.000 0.512 384 S N 1.040 116.863 115.700 0.206 0.000 2.715 384 S HA 0.459 4.929 4.470 -0.001 0.000 0.307 384 S C -0.284 174.418 174.600 0.169 0.000 1.119 384 S CA -1.058 57.247 58.200 0.175 0.000 0.937 384 S CB 0.967 64.280 63.200 0.189 0.000 1.150 384 S HN 0.599 nan 8.310 nan 0.000 0.521 385 N N -0.423 118.368 118.700 0.150 0.000 2.279 385 N HA 0.192 4.932 4.740 -0.001 0.000 0.226 385 N C -1.053 174.549 175.510 0.153 0.000 1.126 385 N CA -0.265 52.861 53.050 0.127 0.000 0.846 385 N CB -0.009 38.536 38.487 0.096 0.000 1.050 385 N HN 0.530 nan 8.380 nan 0.000 0.502 386 Y N 2.156 122.469 120.300 0.022 0.000 2.811 386 Y HA -0.145 4.405 4.550 -0.001 0.000 0.334 386 Y C 0.580 176.445 175.900 -0.059 0.000 1.247 386 Y CA 0.186 58.276 58.100 -0.015 0.000 1.526 386 Y CB 0.046 38.490 38.460 -0.027 0.000 1.284 386 Y HN 0.256 nan 8.280 nan 0.000 0.586 387 N N 1.874 120.369 118.700 -0.342 0.000 2.776 387 N HA -0.233 4.506 4.740 -0.001 0.000 0.249 387 N C -0.099 175.326 175.510 -0.141 0.000 1.111 387 N CA 1.278 54.117 53.050 -0.352 0.000 0.711 387 N CB -1.677 36.518 38.487 -0.486 0.000 1.065 387 N HN 0.587 nan 8.380 nan 0.000 0.556 388 S N -1.281 114.391 115.700 -0.047 0.000 3.550 388 S HA -0.291 4.178 4.470 -0.001 0.000 0.372 388 S C 0.172 174.761 174.600 -0.018 0.000 0.966 388 S CA 0.917 59.109 58.200 -0.013 0.000 1.229 388 S CB -0.787 62.403 63.200 -0.017 0.000 0.917 388 S HN 0.428 nan 8.310 nan 0.000 0.496 389 R N 0.846 121.341 120.500 -0.009 0.000 2.338 389 R HA 0.444 4.783 4.340 -0.001 0.000 0.317 389 R C -2.876 173.447 176.300 0.037 0.000 0.968 389 R CA -2.103 53.996 56.100 -0.001 0.000 0.849 389 R CB 1.067 31.354 30.300 -0.022 0.000 1.128 389 R HN 0.101 nan 8.270 nan 0.000 0.448 390 P HA 0.092 nan 4.420 nan 0.000 0.279 390 P C -0.386 176.965 177.300 0.085 0.000 1.239 390 P CA -0.467 62.668 63.100 0.058 0.000 0.789 390 P CB 0.642 32.369 31.700 0.045 0.000 0.933 391 L N 2.577 123.866 121.223 0.110 0.000 2.593 391 L HA -0.051 4.288 4.340 -0.001 0.000 0.287 391 L C 0.877 177.845 176.870 0.163 0.000 1.243 391 L CA 0.290 55.226 54.840 0.159 0.000 0.890 391 L CB -0.487 41.661 42.059 0.150 0.000 1.134 391 L HN 0.250 nan 8.230 nan 0.000 0.502 392 L N 4.852 126.212 121.223 0.229 0.000 2.472 392 L HA 0.303 4.642 4.340 -0.001 0.000 0.260 392 L C -1.849 175.157 176.870 0.227 0.000 1.209 392 L CA -1.752 53.191 54.840 0.172 0.000 0.817 392 L CB 0.201 42.293 42.059 0.055 0.000 1.106 392 L HN 0.437 nan 8.230 nan 0.000 0.479 393 P HA 0.165 nan 4.420 nan 0.000 0.277 393 P C -1.342 176.088 177.300 0.218 0.000 1.240 393 P CA -0.344 62.843 63.100 0.145 0.000 0.798 393 P CB 0.876 32.629 31.700 0.088 0.000 0.979 394 E N 0.346 120.650 120.200 0.173 0.000 2.222 394 E HA 0.496 4.845 4.350 -0.001 0.000 0.267 394 E C -1.013 175.589 176.600 0.002 0.000 0.884 394 E CA -1.059 55.477 56.400 0.227 0.000 0.764 394 E CB 2.211 32.097 29.700 0.310 0.000 1.169 394 E HN 0.120 nan 8.360 nan 0.000 0.413 395 V N 3.084 122.968 119.914 -0.050 0.000 2.604 395 V HA 0.357 4.477 4.120 -0.001 0.000 0.305 395 V C -0.989 175.039 176.094 -0.111 0.000 1.043 395 V CA -0.881 61.228 62.300 -0.318 0.000 0.888 395 V CB 1.822 33.271 31.823 -0.623 0.000 0.995 395 V HN 0.475 nan 8.190 nan 0.000 0.429 396 L N 4.825 125.941 121.223 -0.177 0.000 2.305 396 L HA 0.615 4.955 4.340 -0.001 0.000 0.284 396 L C -0.949 175.863 176.870 -0.097 0.000 1.013 396 L CA 0.077 54.890 54.840 -0.045 0.000 0.819 396 L CB 1.023 43.052 42.059 -0.049 0.000 1.227 396 L HN 0.497 nan 8.230 nan 0.000 0.417 397 F N 3.637 123.574 119.950 -0.022 0.000 2.396 397 F HA 0.401 4.928 4.527 -0.001 0.000 0.343 397 F C 0.115 175.896 175.800 -0.032 0.000 1.104 397 F CA -0.006 57.975 58.000 -0.032 0.000 1.161 397 F CB 1.171 40.148 39.000 -0.038 0.000 1.146 397 F HN 0.473 nan 8.300 nan 0.000 0.522 398 D N 3.717 124.260 120.400 0.239 0.000 2.616 398 D HA 0.116 4.756 4.640 -0.001 0.000 0.238 398 D C -0.797 175.565 176.300 0.105 0.000 1.354 398 D CA -0.433 53.636 54.000 0.115 0.000 0.970 398 D CB 0.661 41.492 40.800 0.051 0.000 1.369 398 D HN 0.487 nan 8.370 nan 0.000 0.585 399 N N 2.990 121.724 118.700 0.056 0.000 2.714 399 N HA -0.213 4.526 4.740 -0.001 0.000 0.253 399 N C 0.942 176.488 175.510 0.060 0.000 1.024 399 N CA 2.131 55.198 53.050 0.029 0.000 0.726 399 N CB -1.025 37.474 38.487 0.019 0.000 0.908 399 N HN 0.886 nan 8.380 nan 0.000 0.542 400 G N -1.330 107.515 108.800 0.075 0.000 2.205 400 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.261 400 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.261 400 G C -0.392 174.725 174.900 0.361 0.000 0.980 400 G CA 0.646 45.818 45.100 0.119 0.000 0.632 400 G HN 0.563 nan 8.290 nan 0.000 0.533 401 Q N 0.364 120.364 119.800 0.334 0.000 2.325 401 Q HA 0.718 5.057 4.340 -0.001 0.000 0.262 401 Q C 0.128 176.149 176.000 0.035 0.000 0.968 401 Q CA 0.222 56.142 55.803 0.194 0.000 0.877 401 Q CB 1.651 30.443 28.738 0.090 0.000 1.253 401 Q HN 0.846 nan 8.270 nan 0.000 0.448 402 A N 3.863 126.533 122.820 -0.249 0.000 2.274 402 A HA 0.698 5.017 4.320 -0.001 0.000 0.309 402 A C -0.061 177.390 177.584 -0.222 0.000 1.226 402 A CA -0.623 51.056 52.037 -0.597 0.000 0.853 402 A CB 0.473 18.915 19.000 -0.930 0.000 1.146 402 A HN 0.758 nan 8.150 nan 0.000 0.518 403 R N 2.715 123.040 120.500 -0.292 0.000 2.744 403 R HA 0.645 4.985 4.340 -0.001 0.000 0.279 403 R C -1.282 174.798 176.300 -0.366 0.000 0.977 403 R CA -0.862 55.120 56.100 -0.197 0.000 0.906 403 R CB 1.198 31.421 30.300 -0.128 0.000 1.197 403 R HN 0.535 nan 8.270 nan 0.000 0.463 404 L N 4.700 125.755 121.223 -0.279 0.000 2.462 404 L HA 0.157 4.497 4.340 -0.001 0.000 0.272 404 L C 0.667 177.395 176.870 -0.236 0.000 1.166 404 L CA 0.149 54.821 54.840 -0.279 0.000 0.880 404 L CB 0.698 42.733 42.059 -0.040 0.000 1.142 404 L HN 0.909 nan 8.230 nan 0.000 0.473 405 I N 1.282 121.731 120.570 -0.202 0.000 4.240 405 I HA 0.352 4.522 4.170 -0.001 0.000 0.331 405 I C 0.384 176.511 176.117 0.017 0.000 1.381 405 I CA -0.297 60.879 61.300 -0.207 0.000 1.136 405 I CB 0.393 38.292 38.000 -0.169 0.000 1.137 405 I HN 0.529 nan 8.210 nan 0.000 0.411 406 R N 2.565 123.079 120.500 0.023 0.000 2.522 406 R HA 0.457 4.797 4.340 -0.001 0.000 0.273 406 R C -0.901 175.440 176.300 0.068 0.000 1.133 406 R CA -0.616 55.529 56.100 0.075 0.000 0.969 406 R CB 1.746 32.109 30.300 0.106 0.000 1.235 406 R HN 0.335 nan 8.270 nan 0.000 0.433 407 R N 2.725 123.267 120.500 0.071 0.000 2.528 407 R HA 0.355 4.695 4.340 -0.001 0.000 0.271 407 R C -0.398 175.951 176.300 0.082 0.000 1.056 407 R CA -0.838 55.306 56.100 0.073 0.000 1.117 407 R CB 0.936 31.274 30.300 0.063 0.000 1.085 407 R HN 0.465 nan 8.270 nan 0.000 0.530 408 R N 1.792 122.340 120.500 0.079 0.000 2.522 408 R HA -0.084 4.255 4.340 -0.001 0.000 0.284 408 R C -0.170 176.169 176.300 0.065 0.000 1.032 408 R CA 0.168 56.313 56.100 0.076 0.000 1.049 408 R CB 0.615 30.952 30.300 0.062 0.000 0.956 408 R HN 0.720 nan 8.270 nan 0.000 0.422 409 Q N 2.054 121.896 119.800 0.071 0.000 2.454 409 Q HA 0.038 4.378 4.340 -0.001 0.000 0.247 409 Q C -0.542 175.485 176.000 0.045 0.000 1.028 409 Q CA 0.150 55.988 55.803 0.059 0.000 0.910 409 Q CB 0.840 29.618 28.738 0.066 0.000 1.276 409 Q HN 0.751 nan 8.270 nan 0.000 0.489 410 T N -0.042 114.533 114.554 0.036 0.000 2.952 410 T HA 0.276 4.625 4.350 -0.001 0.000 0.286 410 T C 0.813 175.528 174.700 0.024 0.000 1.024 410 T CA -0.858 61.259 62.100 0.027 0.000 1.029 410 T CB 0.908 69.789 68.868 0.021 0.000 1.094 410 T HN 0.635 nan 8.240 nan 0.000 0.515 411 I N 0.701 121.282 120.570 0.018 0.000 2.394 411 I HA 0.014 4.184 4.170 -0.001 0.000 0.251 411 I C 2.068 178.193 176.117 0.014 0.000 1.136 411 I CA 1.434 62.743 61.300 0.016 0.000 1.425 411 I CB -0.679 37.327 38.000 0.010 0.000 1.079 411 I HN 0.774 nan 8.210 nan 0.000 0.425 412 E N 0.622 120.829 120.200 0.012 0.000 2.077 412 E HA -0.238 4.112 4.350 -0.001 0.000 0.193 412 E C 2.115 178.720 176.600 0.009 0.000 0.989 412 E CA 1.578 57.983 56.400 0.009 0.000 0.800 412 E CB -0.256 29.447 29.700 0.006 0.000 0.746 412 E HN 0.562 nan 8.360 nan 0.000 0.452 413 E N -0.044 120.164 120.200 0.014 0.000 2.153 413 E HA -0.138 4.211 4.350 -0.001 0.000 0.194 413 E C 1.946 178.557 176.600 0.018 0.000 0.988 413 E CA 0.718 57.127 56.400 0.015 0.000 0.811 413 E CB -0.054 29.659 29.700 0.022 0.000 0.746 413 E HN 0.236 nan 8.360 nan 0.000 0.466 414 L N 0.276 121.512 121.223 0.022 0.000 2.109 414 L HA -0.122 4.217 4.340 -0.001 0.000 0.207 414 L C 2.290 179.172 176.870 0.020 0.000 1.086 414 L CA 0.650 55.505 54.840 0.025 0.000 0.760 414 L CB -0.210 41.866 42.059 0.029 0.000 0.910 414 L HN 0.166 nan 8.230 nan 0.000 0.437 415 L N -0.299 120.934 121.223 0.016 0.000 2.201 415 L HA -0.113 4.226 4.340 -0.001 0.000 0.212 415 L C 2.782 179.657 176.870 0.009 0.000 1.105 415 L CA 0.730 55.578 54.840 0.013 0.000 0.775 415 L CB -0.592 41.474 42.059 0.012 0.000 0.913 415 L HN 0.221 nan 8.230 nan 0.000 0.440 416 A N 0.157 122.979 122.820 0.004 0.000 2.070 416 A HA -0.138 4.181 4.320 -0.001 0.000 0.220 416 A C 2.189 179.774 177.584 0.001 0.000 1.159 416 A CA 1.152 53.186 52.037 -0.005 0.000 0.656 416 A CB -0.553 18.442 19.000 -0.009 0.000 0.800 416 A HN 0.405 nan 8.150 nan 0.000 0.453 417 L N -1.081 120.147 121.223 0.009 0.000 2.201 417 L HA -0.145 4.195 4.340 -0.001 0.000 0.212 417 L C 2.129 179.009 176.870 0.016 0.000 1.105 417 L CA 1.374 56.223 54.840 0.013 0.000 0.775 417 L CB -0.384 41.686 42.059 0.018 0.000 0.913 417 L HN 0.479 nan 8.230 nan 0.000 0.440 418 E N -0.413 119.798 120.200 0.017 0.000 2.431 418 E HA 0.147 4.497 4.350 -0.001 0.000 0.200 418 E C 0.331 176.946 176.600 0.025 0.000 0.995 418 E CA -0.093 56.320 56.400 0.022 0.000 0.915 418 E CB 0.472 30.185 29.700 0.022 0.000 0.930 418 E HN 0.354 nan 8.360 nan 0.000 0.496 419 L N 2.342 123.576 121.223 0.019 0.000 2.328 419 L HA 0.227 4.567 4.340 -0.001 0.000 0.280 419 L C 0.684 177.565 176.870 0.017 0.000 1.111 419 L CA -0.114 54.739 54.840 0.022 0.000 0.909 419 L CB 0.551 42.614 42.059 0.006 0.000 1.277 419 L HN 0.069 nan 8.230 nan 0.000 0.433 420 L N 1.901 123.154 121.223 0.050 0.000 2.592 420 L HA 0.114 4.453 4.340 -0.001 0.000 0.227 420 L C 0.360 177.308 176.870 0.130 0.000 1.127 420 L CA 0.248 55.126 54.840 0.064 0.000 0.884 420 L CB -0.081 42.015 42.059 0.061 0.000 1.065 420 L HN 0.667 nan 8.230 nan 0.000 0.457 421 H N -0.875 118.206 119.070 0.019 0.000 3.568 421 H HA 0.239 4.795 4.556 -0.001 0.000 0.220 421 H C -0.717 174.707 175.328 0.159 0.000 1.218 421 H CA -0.497 55.579 56.048 0.047 0.000 1.363 421 H CB -0.221 29.586 29.762 0.074 0.000 2.546 421 H HN 0.269 nan 8.280 nan 0.000 0.560 422 H N 0.000 119.041 119.070 -0.048 0.000 2.539 422 H HA 0.000 4.556 4.556 -0.001 0.000 0.296 422 H CA 0.000 56.035 56.048 -0.022 0.000 1.023 422 H CB 0.000 29.755 29.762 -0.011 0.000 1.292 422 H HN 0.000 nan 8.280 nan 0.000 0.496