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 2kho_1_A DATA FIRST_RESID 4 DATA SEQUENCE IIGIDLGTTN SCVAIMDGTT PRVLENAEGD RTTPSIIAYT QDGETLVGQP DATA SEQUENCE AKRQAVTNPQ NTLFAIKRLI GRRFQDEEVQ RDVSIMPFKI IAADNGDAWV DATA SEQUENCE EVKGQKMAPP QISAEVLKKM KKTAEDYLGE PVTEAVITVP AYFNDAQRQA DATA SEQUENCE TKDAGRIAGL EVKRIINEPT AAALAYGLDK GTGNRTIAVY DLGGGTFDIS DATA SEQUENCE IIEIDEVDGE KTFEVLATNG DTHLGGEDFD SRLINYLVEE FKKDQGIDLR DATA SEQUENCE NDPLAMQRLK EAAEKAKIEL SSAQQTDVNL PYITADATGP KHMNIKVTRA DATA SEQUENCE KLESLVEDLV NRSIEPLKVA LQDAGLSVSD IDDVILVGGQ TRMPMVQKKV DATA SEQUENCE AEFFGKEPRK DVNPDEAVAI GAAVQGGVLT GDVKDVLLLD VTPLSLGIET DATA SEQUENCE MGGVMTTLIA KNTTIPTKHS QVFSTAEDNQ SAVTIHVLQG ERKRAADNKS DATA SEQUENCE LGQFNLDGIN PAPRGMPQIE VTFDIDADGI LHVSAKDKNS GKEQKITIKA DATA SEQUENCE SSGLNEDEIQ KMVRDAEANA EADRKFDELV QTRNQGDHLL HSTRKQVEEA DATA SEQUENCE GDKLPADDKT AIESALTALE TALKGEDKAA IEAKMQELAQ VSQKLMEIAQ 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 4 I HA 0.000 nan 4.170 nan 0.000 0.288 4 I C 0.000 176.112 176.117 -0.008 0.000 1.063 4 I CA 0.000 61.294 61.300 -0.009 0.000 1.566 4 I CB 0.000 37.991 38.000 -0.015 0.000 1.214 5 I N -0.598 119.967 120.570 -0.009 0.000 2.676 5 I HA 0.887 nan 4.170 nan 0.000 0.309 5 I C -0.829 175.275 176.117 -0.021 0.000 0.990 5 I CA -2.637 58.657 61.300 -0.010 0.000 1.168 5 I CB 2.363 40.361 38.000 -0.003 0.000 1.343 5 I HN -0.209 7.996 8.210 -0.008 0.000 0.482 6 G N 1.903 110.686 108.800 -0.028 0.000 2.428 6 G HA2 0.541 nan 3.960 nan 0.000 0.320 6 G HA3 0.541 nan 3.960 nan 0.000 0.320 6 G C -2.051 172.826 174.900 -0.037 0.000 1.098 6 G CA -1.193 43.884 45.100 -0.037 0.000 0.984 6 G HN 0.666 8.941 8.290 -0.026 0.000 0.444 7 I N 6.548 127.098 120.570 -0.034 0.000 2.359 7 I HA 0.312 nan 4.170 nan 0.000 0.294 7 I C -2.074 174.019 176.117 -0.039 0.000 0.987 7 I CA -0.800 60.481 61.300 -0.032 0.000 1.225 7 I CB 2.235 40.221 38.000 -0.024 0.000 1.366 7 I HN 0.879 9.068 8.210 -0.035 0.000 0.466 8 D N 7.341 127.717 120.400 -0.040 0.000 2.373 8 D HA 0.335 nan 4.640 nan 0.000 0.227 8 D C -1.810 174.469 176.300 -0.035 0.000 1.091 8 D CA -1.322 52.651 54.000 -0.044 0.000 0.840 8 D CB 1.794 42.566 40.800 -0.047 0.000 1.060 8 D HN 0.724 8.965 8.370 -0.037 0.107 0.502 9 L N 7.042 128.242 121.223 -0.037 0.000 2.262 9 L HA 0.509 nan 4.340 nan 0.000 0.288 9 L C -1.405 175.445 176.870 -0.034 0.000 1.035 9 L CA -1.206 53.619 54.840 -0.025 0.000 0.820 9 L CB 1.679 43.728 42.059 -0.016 0.000 1.204 9 L HN 0.091 8.293 8.230 -0.047 0.000 0.424 10 G N 4.822 113.612 108.800 -0.017 0.000 2.568 10 G HA2 0.269 nan 3.960 nan 0.000 0.293 10 G HA3 0.269 nan 3.960 nan 0.000 0.293 10 G C -1.130 173.777 174.900 0.011 0.000 1.347 10 G CA -1.209 43.883 45.100 -0.015 0.000 1.039 10 G HN -0.060 8.226 8.290 -0.007 0.000 0.523 11 T N -0.668 113.900 114.554 0.023 0.000 2.814 11 T HA -0.017 nan 4.350 nan 0.000 0.254 11 T C 1.334 176.084 174.700 0.084 0.000 1.037 11 T CA 3.812 65.947 62.100 0.058 0.000 1.143 11 T CB 0.113 69.018 68.868 0.061 0.000 0.866 11 T HN 0.460 8.708 8.240 0.012 0.000 0.431 12 T N 1.223 115.820 114.554 0.072 0.000 3.034 12 T HA 0.094 nan 4.350 nan 0.000 0.248 12 T C -1.229 173.505 174.700 0.057 0.000 1.040 12 T CA 2.086 64.236 62.100 0.084 0.000 1.107 12 T CB 0.518 69.429 68.868 0.071 0.000 0.932 12 T HN 0.182 8.453 8.240 0.052 0.000 0.474 13 N N -0.406 118.315 118.700 0.036 0.000 2.264 13 N HA 0.486 nan 4.740 nan 0.000 0.288 13 N C -1.931 173.585 175.510 0.009 0.000 1.094 13 N CA -0.036 53.026 53.050 0.021 0.000 0.817 13 N CB 3.865 42.363 38.487 0.018 0.000 1.604 13 N HN -0.722 7.677 8.380 0.032 0.000 0.473 14 S N 1.915 117.617 115.700 0.003 0.000 2.513 14 S HA 0.647 nan 4.470 nan 0.000 0.299 14 S C -2.560 172.033 174.600 -0.013 0.000 1.087 14 S CA -0.883 57.313 58.200 -0.006 0.000 1.012 14 S CB 3.097 66.294 63.200 -0.004 0.000 1.044 14 S HN 1.016 9.203 8.310 0.004 0.125 0.485 15 C N 3.279 122.566 119.300 -0.022 0.000 2.985 15 C HA 0.752 nan 4.460 nan 0.000 0.314 15 C C -2.601 172.368 174.990 -0.035 0.000 1.215 15 C CA -0.373 58.628 59.018 -0.029 0.000 1.414 15 C CB 2.905 30.626 27.740 -0.032 0.000 1.842 15 C HN 0.241 8.456 8.230 -0.024 0.000 0.477 16 V N 5.051 124.941 119.914 -0.040 0.000 2.876 16 V HA 0.968 nan 4.120 nan 0.000 0.312 16 V C -2.834 173.227 176.094 -0.055 0.000 1.085 16 V CA -2.165 60.111 62.300 -0.041 0.000 0.945 16 V CB 4.426 36.231 31.823 -0.030 0.000 1.017 16 V HN 0.420 8.584 8.190 -0.043 0.000 0.428 17 A N 5.710 128.498 122.820 -0.053 0.000 2.602 17 A HA 1.145 nan 4.320 nan 0.000 0.290 17 A C -2.892 174.663 177.584 -0.047 0.000 1.114 17 A CA -1.300 50.698 52.037 -0.064 0.000 0.683 17 A CB 3.683 22.641 19.000 -0.070 0.000 1.281 17 A HN 1.097 9.103 8.150 -0.045 0.117 0.416 18 I N -7.825 112.715 120.570 -0.049 0.000 3.095 18 I HA 0.689 nan 4.170 nan 0.000 0.310 18 I C -2.020 174.081 176.117 -0.026 0.000 1.196 18 I CA -1.589 59.696 61.300 -0.025 0.000 0.985 18 I CB 4.260 42.264 38.000 0.007 0.000 1.250 18 I HN 1.007 9.069 8.210 -0.068 0.107 0.446 19 M N 0.111 119.703 119.600 -0.012 0.000 2.113 19 M HA 0.235 nan 4.480 nan 0.000 0.352 19 M C -1.073 175.231 176.300 0.008 0.000 1.170 19 M CA -0.032 55.262 55.300 -0.009 0.000 1.053 19 M CB 1.110 33.704 32.600 -0.010 0.000 1.601 19 M HN 0.445 8.730 8.290 -0.009 0.000 0.459 20 D N 5.143 125.549 120.400 0.010 0.000 2.500 20 D HA 0.112 nan 4.640 nan 0.000 0.219 20 D C 0.503 176.815 176.300 0.019 0.000 1.137 20 D CA -1.279 52.739 54.000 0.030 0.000 0.946 20 D CB 0.039 40.861 40.800 0.036 0.000 1.022 20 D HN 0.835 9.096 8.370 -0.001 0.109 0.518 21 G N 6.400 115.210 108.800 0.017 0.000 2.779 21 G HA2 -0.462 nan 3.960 nan 0.000 0.284 21 G HA3 -0.462 nan 3.960 nan 0.000 0.284 21 G C -0.753 174.150 174.900 0.005 0.000 1.326 21 G CA 1.507 46.613 45.100 0.011 0.000 0.983 21 G HN -0.296 8.006 8.290 0.020 0.000 0.555 22 T N 4.874 119.430 114.554 0.004 0.000 3.022 22 T HA 0.251 nan 4.350 nan 0.000 0.250 22 T C 0.686 175.384 174.700 -0.002 0.000 1.060 22 T CA -0.565 61.535 62.100 0.001 0.000 1.013 22 T CB 0.192 69.061 68.868 0.003 0.000 0.982 22 T HN 0.185 8.428 8.240 0.005 0.000 0.508 23 T N 3.600 118.153 114.554 -0.002 0.000 2.799 23 T HA 0.515 nan 4.350 nan 0.000 0.286 23 T C -2.853 171.838 174.700 -0.015 0.000 0.973 23 T CA -3.224 58.872 62.100 -0.007 0.000 1.035 23 T CB -0.230 68.636 68.868 -0.003 0.000 0.932 23 T HN -0.112 7.958 8.240 0.002 0.172 0.469 24 P HA 0.272 nan 4.420 nan 0.000 0.271 24 P C -1.748 175.523 177.300 -0.049 0.000 1.216 24 P CA -0.165 62.911 63.100 -0.040 0.000 0.771 24 P CB 0.402 32.072 31.700 -0.051 0.000 0.864 25 R N 4.574 125.036 120.500 -0.063 0.000 2.532 25 R HA 0.377 nan 4.340 nan 0.000 0.297 25 R C -2.119 174.108 176.300 -0.122 0.000 0.984 25 R CA -0.776 55.265 56.100 -0.098 0.000 0.884 25 R CB 3.465 33.698 30.300 -0.111 0.000 1.182 25 R HN 1.044 9.174 8.270 -0.059 0.105 0.442 26 V N 6.024 125.859 119.914 -0.132 0.000 2.417 26 V HA 0.630 nan 4.120 nan 0.000 0.291 26 V C -0.460 175.537 176.094 -0.162 0.000 1.024 26 V CA -1.344 60.883 62.300 -0.122 0.000 0.861 26 V CB 0.719 32.488 31.823 -0.091 0.000 0.985 26 V HN 0.398 8.512 8.190 -0.126 0.000 0.436 27 L N 6.607 127.736 121.223 -0.156 0.000 2.416 27 L HA 0.487 nan 4.340 nan 0.000 0.263 27 L C -1.095 175.709 176.870 -0.111 0.000 1.065 27 L CA -0.957 53.770 54.840 -0.188 0.000 0.798 27 L CB 1.564 43.525 42.059 -0.163 0.000 1.267 27 L HN 0.458 8.618 8.230 -0.116 0.000 0.467 28 E N -2.110 118.036 120.200 -0.090 0.000 2.292 28 E HA 0.250 nan 4.350 nan 0.000 0.272 28 E C -1.275 175.315 176.600 -0.017 0.000 0.881 28 E CA -1.914 54.458 56.400 -0.047 0.000 0.754 28 E CB 2.564 32.238 29.700 -0.044 0.000 1.201 28 E HN -0.098 8.202 8.360 -0.099 0.000 0.425 29 N N 2.022 120.716 118.700 -0.011 0.000 2.317 29 N HA 0.049 nan 4.740 nan 0.000 0.245 29 N C 0.783 176.296 175.510 0.005 0.000 1.294 29 N CA -1.070 51.979 53.050 -0.002 0.000 0.924 29 N CB 0.548 39.031 38.487 -0.006 0.000 1.186 29 N HN 0.807 9.057 8.380 -0.015 0.121 0.495 30 A N 0.034 122.858 122.820 0.006 0.000 2.019 30 A HA -0.206 nan 4.320 nan 0.000 0.219 30 A C 0.739 178.325 177.584 0.004 0.000 1.164 30 A CA 2.945 54.987 52.037 0.009 0.000 0.644 30 A CB -0.603 18.400 19.000 0.005 0.000 0.805 30 A HN 0.694 8.845 8.150 0.003 0.000 0.449 31 E N -2.204 117.996 120.200 -0.000 0.000 2.427 31 E HA -0.081 nan 4.350 nan 0.000 0.196 31 E C 0.583 177.182 176.600 -0.001 0.000 1.028 31 E CA -0.176 56.222 56.400 -0.002 0.000 0.864 31 E CB -0.552 29.145 29.700 -0.005 0.000 0.813 31 E HN -0.102 8.335 8.360 -0.002 -0.079 0.514 32 G N -1.471 107.328 108.800 -0.000 0.000 2.141 32 G HA2 -0.385 nan 3.960 nan 0.000 0.231 32 G HA3 -0.385 nan 3.960 nan 0.000 0.231 32 G C -0.836 174.060 174.900 -0.007 0.000 0.984 32 G CA -0.163 44.936 45.100 -0.002 0.000 0.660 32 G HN 0.077 8.233 8.290 0.001 0.135 0.525 33 D N 0.591 120.986 120.400 -0.008 0.000 2.193 33 D HA 0.267 nan 4.640 nan 0.000 0.249 33 D C -0.214 176.076 176.300 -0.016 0.000 1.034 33 D CA -0.563 53.431 54.000 -0.010 0.000 0.902 33 D CB 1.403 42.198 40.800 -0.008 0.000 1.182 33 D HN 0.198 9.067 8.370 -0.007 -0.503 0.436 34 R N 1.650 122.139 120.500 -0.020 0.000 2.056 34 R HA 0.030 nan 4.340 nan 0.000 0.215 34 R C -0.667 175.619 176.300 -0.024 0.000 1.205 34 R CA 2.048 58.131 56.100 -0.028 0.000 1.020 34 R CB 0.831 31.111 30.300 -0.032 0.000 0.911 34 R HN 0.172 8.432 8.270 -0.016 0.000 0.451 35 T N 0.277 114.822 114.554 -0.016 0.000 2.747 35 T HA 0.115 nan 4.350 nan 0.000 0.301 35 T C -0.123 174.573 174.700 -0.007 0.000 0.952 35 T CA 0.350 62.443 62.100 -0.011 0.000 0.983 35 T CB -0.363 68.501 68.868 -0.006 0.000 0.930 35 T HN -0.431 7.801 8.240 -0.014 0.000 0.494 36 T N 9.716 124.266 114.554 -0.007 0.000 2.867 36 T HA 0.478 nan 4.350 nan 0.000 0.282 36 T C -2.359 172.342 174.700 0.002 0.000 1.000 36 T CA -2.045 60.052 62.100 -0.004 0.000 1.042 36 T CB 0.888 69.752 68.868 -0.007 0.000 0.973 36 T HN 0.900 9.031 8.240 -0.009 0.104 0.465 37 P HA 0.123 nan 4.420 nan 0.000 0.271 37 P C -0.811 176.502 177.300 0.021 0.000 1.216 37 P CA -0.291 62.816 63.100 0.013 0.000 0.771 37 P CB 0.080 31.783 31.700 0.006 0.000 0.864 38 S N 5.646 121.368 115.700 0.037 0.000 3.811 38 S HA 0.175 nan 4.470 nan 0.000 0.205 38 S C -1.229 173.412 174.600 0.069 0.000 1.445 38 S CA 0.313 58.539 58.200 0.044 0.000 1.097 38 S CB -1.636 61.593 63.200 0.048 0.000 1.350 38 S HN 0.379 8.590 8.310 0.045 0.126 0.471 39 I N 1.509 122.112 120.570 0.055 0.000 2.509 39 I HA 0.692 nan 4.170 nan 0.000 0.293 39 I C -2.029 174.110 176.117 0.036 0.000 1.020 39 I CA -0.946 60.399 61.300 0.074 0.000 1.088 39 I CB 3.307 41.343 38.000 0.061 0.000 1.267 39 I HN -0.070 8.101 8.210 0.033 0.058 0.430 40 I N 5.557 126.149 120.570 0.038 0.000 2.533 40 I HA 0.719 nan 4.170 nan 0.000 0.290 40 I C -2.421 173.731 176.117 0.058 0.000 1.056 40 I CA -1.180 60.131 61.300 0.019 0.000 1.057 40 I CB 3.518 41.528 38.000 0.017 0.000 1.240 40 I HN 1.075 9.206 8.210 0.050 0.109 0.423 41 A N 5.736 128.581 122.820 0.041 0.000 2.398 41 A HA 0.739 nan 4.320 nan 0.000 0.301 41 A C -2.217 175.409 177.584 0.071 0.000 1.041 41 A CA -1.033 51.064 52.037 0.099 0.000 0.711 41 A CB 3.427 22.466 19.000 0.064 0.000 1.240 41 A HN 0.951 8.974 8.150 -0.023 0.113 0.420 42 Y N 4.404 124.701 120.300 -0.005 0.000 2.454 42 Y HA 0.273 nan 4.550 nan 0.000 0.345 42 Y C -0.557 175.347 175.900 0.007 0.000 0.970 42 Y CA -0.493 57.606 58.100 -0.003 0.000 1.204 42 Y CB -0.082 38.375 38.460 -0.005 0.000 1.122 42 Y HN 0.286 8.807 8.280 0.401 0.000 0.514 43 T N 6.047 120.657 114.554 0.093 0.000 2.918 43 T HA 0.180 nan 4.350 nan 0.000 0.302 43 T C 1.192 175.937 174.700 0.075 0.000 1.045 43 T CA 0.141 62.279 62.100 0.064 0.000 1.114 43 T CB 1.082 69.964 68.868 0.024 0.000 0.965 43 T HN 0.906 9.050 8.240 0.025 0.111 0.540 44 Q N 4.021 123.857 119.800 0.060 0.000 2.181 44 Q HA -0.199 nan 4.340 nan 0.000 0.205 44 Q C -0.202 175.827 176.000 0.049 0.000 0.980 44 Q CA 2.690 58.527 55.803 0.056 0.000 0.862 44 Q CB -0.748 28.016 28.738 0.044 0.000 0.905 44 Q HN 0.454 8.753 8.270 0.047 0.000 0.429 45 D N -1.213 119.209 120.400 0.038 0.000 2.561 45 D HA 0.002 nan 4.640 nan 0.000 0.232 45 D C -0.150 176.168 176.300 0.030 0.000 1.198 45 D CA -0.122 53.896 54.000 0.030 0.000 0.826 45 D CB 0.137 40.949 40.800 0.020 0.000 0.992 45 D HN -0.039 8.345 8.370 0.033 0.005 0.490 46 G N -0.276 108.553 108.800 0.048 0.000 2.213 46 G HA2 -0.378 nan 3.960 nan 0.000 0.226 46 G HA3 -0.378 nan 3.960 nan 0.000 0.226 46 G C -0.946 173.966 174.900 0.020 0.000 0.992 46 G CA -0.116 45.016 45.100 0.053 0.000 0.632 46 G HN 0.266 8.421 8.290 0.064 0.173 0.511 47 E N 1.039 121.236 120.200 -0.005 0.000 2.344 47 E HA -0.017 nan 4.350 nan 0.000 0.270 47 E C -0.697 175.830 176.600 -0.123 0.000 1.021 47 E CA 0.113 56.482 56.400 -0.051 0.000 0.887 47 E CB 0.630 30.307 29.700 -0.038 0.000 0.997 47 E HN -0.333 8.032 8.360 0.009 0.000 0.429 48 T N 5.254 119.680 114.554 -0.214 0.000 2.781 48 T HA 0.477 nan 4.350 nan 0.000 0.305 48 T C -0.637 173.918 174.700 -0.240 0.000 1.001 48 T CA -0.312 61.545 62.100 -0.403 0.000 0.950 48 T CB -0.240 68.322 68.868 -0.509 0.000 0.955 48 T HN 0.341 8.480 8.240 -0.169 0.000 0.471 49 L N 6.940 128.048 121.223 -0.191 0.000 2.330 49 L HA 0.515 nan 4.340 nan 0.000 0.271 49 L C -1.987 174.828 176.870 -0.092 0.000 1.013 49 L CA -0.906 53.871 54.840 -0.106 0.000 0.816 49 L CB 3.251 45.274 42.059 -0.060 0.000 1.287 49 L HN 0.829 8.835 8.230 -0.199 0.105 0.435 50 V N -1.217 118.661 119.914 -0.060 0.000 2.841 50 V HA 0.596 nan 4.120 nan 0.000 0.310 50 V C 0.172 176.252 176.094 -0.024 0.000 1.090 50 V CA -1.164 61.112 62.300 -0.041 0.000 0.930 50 V CB 2.704 34.501 31.823 -0.044 0.000 1.014 50 V HN 0.099 8.258 8.190 -0.053 0.000 0.425 51 G N 5.290 114.084 108.800 -0.011 0.000 2.496 51 G HA2 -0.297 nan 3.960 nan 0.000 0.243 51 G HA3 -0.297 nan 3.960 nan 0.000 0.243 51 G C -0.303 174.593 174.900 -0.007 0.000 1.176 51 G CA 0.386 45.483 45.100 -0.007 0.000 0.940 51 G HN 0.625 8.801 8.290 -0.004 0.111 0.573 52 Q N 2.742 122.537 119.800 -0.009 0.000 2.061 52 Q HA -0.025 nan 4.340 nan 0.000 0.204 52 Q C -0.535 175.458 176.000 -0.011 0.000 0.984 52 Q CA 3.933 59.730 55.803 -0.010 0.000 0.846 52 Q CB -1.856 26.876 28.738 -0.009 0.000 0.902 52 Q HN 0.513 8.777 8.270 -0.009 0.000 0.421 53 P HA -0.003 nan 4.420 nan 0.000 0.242 53 P C -0.770 176.523 177.300 -0.011 0.000 1.197 53 P CA 0.905 63.997 63.100 -0.013 0.000 0.765 53 P CB -0.760 30.930 31.700 -0.016 0.000 0.936 54 A N -1.874 120.941 122.820 -0.009 0.000 1.956 54 A HA 0.021 nan 4.320 nan 0.000 0.212 54 A C 1.111 178.697 177.584 0.004 0.000 1.188 54 A CA 1.396 53.434 52.037 0.001 0.000 0.675 54 A CB 0.331 19.334 19.000 0.005 0.000 0.845 54 A HN -0.309 7.657 8.150 -0.010 0.178 0.455 55 K N -0.400 119.995 120.400 -0.009 0.000 2.031 55 K HA -0.207 nan 4.320 nan 0.000 0.205 55 K C 2.336 178.925 176.600 -0.019 0.000 1.049 55 K CA 2.539 58.812 56.287 -0.024 0.000 0.939 55 K CB 0.209 32.690 32.500 -0.032 0.000 0.717 55 K HN -0.317 7.819 8.250 -0.009 0.108 0.438 56 R N -1.872 118.620 120.500 -0.013 0.000 2.293 56 R HA -0.253 nan 4.340 nan 0.000 0.219 56 R C 1.010 177.306 176.300 -0.006 0.000 1.091 56 R CA 2.473 58.566 56.100 -0.011 0.000 1.004 56 R CB -0.059 30.235 30.300 -0.010 0.000 0.865 56 R HN 0.371 8.519 8.270 -0.012 0.115 0.469 57 Q N -4.368 115.432 119.800 -0.001 0.000 2.159 57 Q HA 0.214 nan 4.340 nan 0.000 0.217 57 Q C 0.211 176.221 176.000 0.016 0.000 0.818 57 Q CA -0.448 55.359 55.803 0.008 0.000 1.008 57 Q CB -0.075 28.669 28.738 0.011 0.000 1.148 57 Q HN -0.593 7.639 8.270 0.000 0.037 0.491 58 A N 1.895 124.720 122.820 0.007 0.000 2.121 58 A HA -0.141 nan 4.320 nan 0.000 0.218 58 A C 0.290 177.890 177.584 0.025 0.000 1.154 58 A CA 2.631 54.677 52.037 0.016 0.000 0.679 58 A CB -0.565 18.421 19.000 -0.023 0.000 0.795 58 A HN 0.183 8.251 8.150 -0.006 0.079 0.458 59 V N -3.811 116.111 119.914 0.014 0.000 2.871 59 V HA -0.142 nan 4.120 nan 0.000 0.256 59 V C 2.236 178.347 176.094 0.029 0.000 1.082 59 V CA 1.553 63.864 62.300 0.018 0.000 1.105 59 V CB -1.009 30.818 31.823 0.007 0.000 0.713 59 V HN -0.043 8.124 8.190 0.005 0.026 0.473 60 T N -4.148 110.424 114.554 0.030 0.000 3.035 60 T HA -0.057 nan 4.350 nan 0.000 0.259 60 T C 0.770 175.495 174.700 0.042 0.000 1.078 60 T CA 1.337 63.455 62.100 0.031 0.000 1.132 60 T CB 0.438 69.320 68.868 0.024 0.000 0.900 60 T HN 0.249 8.340 8.240 0.027 0.165 0.480 61 N N 0.473 119.207 118.700 0.057 0.000 2.639 61 N HA 0.473 nan 4.740 nan 0.000 0.265 61 N C -1.905 173.664 175.510 0.098 0.000 1.689 61 N CA -2.163 50.929 53.050 0.070 0.000 0.813 61 N CB -0.060 38.468 38.487 0.068 0.000 1.353 61 N HN -0.629 7.786 8.380 0.058 0.000 0.510 62 P HA -0.118 nan 4.420 nan 0.000 0.221 62 P C 1.375 178.796 177.300 0.202 0.000 1.150 62 P CA 1.852 65.048 63.100 0.161 0.000 0.800 62 P CB 0.306 32.095 31.700 0.147 0.000 0.787 63 Q N -1.879 118.011 119.800 0.149 0.000 2.364 63 Q HA -0.187 nan 4.340 nan 0.000 0.207 63 Q C 0.298 176.392 176.000 0.156 0.000 0.970 63 Q CA 2.866 58.759 55.803 0.150 0.000 0.888 63 Q CB -0.344 28.450 28.738 0.095 0.000 0.951 63 Q HN 0.516 8.855 8.270 0.115 0.000 0.469 64 N N -2.400 116.377 118.700 0.128 0.000 2.351 64 N HA 0.250 nan 4.740 nan 0.000 0.254 64 N C -1.818 173.764 175.510 0.120 0.000 1.241 64 N CA -0.634 52.469 53.050 0.088 0.000 0.883 64 N CB 1.766 40.297 38.487 0.074 0.000 1.202 64 N HN -0.426 7.995 8.380 0.128 0.035 0.512 65 T N 2.860 117.503 114.554 0.148 0.000 2.779 65 T HA 0.599 nan 4.350 nan 0.000 0.280 65 T C -1.108 173.620 174.700 0.046 0.000 0.987 65 T CA 0.099 62.289 62.100 0.150 0.000 0.966 65 T CB 1.246 70.240 68.868 0.209 0.000 0.933 65 T HN -0.404 7.802 8.240 0.206 0.158 0.442 66 L N 7.656 128.813 121.223 -0.110 0.000 2.319 66 L HA 0.560 nan 4.340 nan 0.000 0.281 66 L C -1.927 174.857 176.870 -0.144 0.000 1.005 66 L CA -0.995 53.522 54.840 -0.538 0.000 0.828 66 L CB 1.863 43.669 42.059 -0.420 0.000 1.227 66 L HN 1.304 9.415 8.230 0.003 0.121 0.415 67 F N -0.997 118.792 119.950 -0.268 0.000 2.613 67 F HA 0.516 nan 4.527 nan 0.000 0.310 67 F C -1.106 174.748 175.800 0.089 0.000 1.085 67 F CA -2.439 55.548 58.000 -0.021 0.000 0.945 67 F CB 3.029 42.066 39.000 0.063 0.000 1.298 67 F HN 0.010 7.855 8.300 -0.757 0.000 0.455 68 A N 1.355 124.281 122.820 0.177 0.000 2.925 68 A HA -0.263 nan 4.320 nan 0.000 0.265 68 A C 0.351 177.975 177.584 0.067 0.000 1.419 68 A CA 1.029 53.144 52.037 0.130 0.000 0.807 68 A CB -1.010 18.092 19.000 0.169 0.000 1.043 68 A HN 0.667 8.956 8.150 0.231 0.000 0.600 69 I N -2.263 118.330 120.570 0.038 0.000 2.916 69 I HA -0.370 nan 4.170 nan 0.000 0.267 69 I C 1.650 177.808 176.117 0.068 0.000 1.263 69 I CA 1.109 62.429 61.300 0.034 0.000 1.471 69 I CB -1.517 36.472 38.000 -0.018 0.000 1.089 69 I HN 0.381 8.605 8.210 0.023 0.000 0.468 70 K N 0.843 121.298 120.400 0.091 0.000 2.280 70 K HA -0.296 nan 4.320 nan 0.000 0.202 70 K C 1.366 178.074 176.600 0.180 0.000 1.047 70 K CA 2.474 58.849 56.287 0.148 0.000 0.942 70 K CB -0.416 32.164 32.500 0.133 0.000 0.739 70 K HN 0.088 8.358 8.250 0.084 0.030 0.457 71 R N -3.515 117.059 120.500 0.123 0.000 2.148 71 R HA -0.165 nan 4.340 nan 0.000 0.223 71 R C 1.245 177.581 176.300 0.060 0.000 1.088 71 R CA 2.094 58.258 56.100 0.105 0.000 0.985 71 R CB 0.282 30.627 30.300 0.076 0.000 0.880 71 R HN -0.370 7.958 8.270 0.106 0.006 0.451 72 L N -2.841 118.417 121.223 0.058 0.000 2.609 72 L HA 0.049 nan 4.340 nan 0.000 0.230 72 L C 1.712 178.596 176.870 0.024 0.000 1.087 72 L CA 0.261 55.130 54.840 0.049 0.000 0.874 72 L CB 0.750 42.865 42.059 0.094 0.000 1.114 72 L HN -0.285 7.832 8.230 0.073 0.156 0.488 73 I N 1.922 122.499 120.570 0.011 0.000 2.229 73 I HA -0.356 nan 4.170 nan 0.000 0.250 73 I C -0.222 175.887 176.117 -0.014 0.000 1.096 73 I CA 2.317 63.621 61.300 0.008 0.000 1.358 73 I CB 0.217 38.238 38.000 0.035 0.000 1.047 73 I HN -0.536 7.689 8.210 0.027 0.000 0.422 74 G N -4.208 104.550 108.800 -0.069 0.000 5.102 74 G HA2 0.062 nan 3.960 nan 0.000 0.212 74 G HA3 0.062 nan 3.960 nan 0.000 0.212 74 G C -1.463 173.383 174.900 -0.091 0.000 0.832 74 G CA -0.164 44.896 45.100 -0.067 0.000 0.718 74 G HN -0.381 7.814 8.290 -0.123 0.021 0.506 75 R N -0.159 120.312 120.500 -0.048 0.000 2.856 75 R HA 0.371 nan 4.340 nan 0.000 0.258 75 R C -1.431 174.880 176.300 0.019 0.000 1.066 75 R CA -2.015 54.064 56.100 -0.035 0.000 1.045 75 R CB 3.561 33.834 30.300 -0.044 0.000 1.178 75 R HN -0.251 7.918 8.270 -0.016 0.091 0.499 76 R N -1.224 119.289 120.500 0.021 0.000 2.832 76 R HA 0.431 nan 4.340 nan 0.000 0.271 76 R C -0.181 176.175 176.300 0.093 0.000 0.996 76 R CA -0.970 55.162 56.100 0.053 0.000 0.977 76 R CB 1.904 32.222 30.300 0.031 0.000 1.168 76 R HN 0.092 8.364 8.270 0.002 0.000 0.482 77 F N 1.364 121.291 119.950 -0.038 0.000 2.126 77 F HA -0.315 nan 4.527 nan 0.000 0.299 77 F C 0.270 176.055 175.800 -0.025 0.000 1.096 77 F CA 3.047 61.028 58.000 -0.032 0.000 1.255 77 F CB 0.797 39.772 39.000 -0.042 0.000 0.997 77 F HN 0.232 8.571 8.300 0.239 0.104 0.479 78 Q N -0.949 118.868 119.800 0.028 0.000 2.421 78 Q HA 0.028 nan 4.340 nan 0.000 0.242 78 Q C -1.383 174.588 176.000 -0.048 0.000 1.024 78 Q CA -0.687 55.079 55.803 -0.061 0.000 0.891 78 Q CB -0.090 28.652 28.738 0.005 0.000 1.222 78 Q HN -0.203 8.150 8.270 0.138 0.000 0.483 79 D N 5.243 125.591 120.400 -0.086 0.000 2.653 79 D HA 0.014 nan 4.640 nan 0.000 0.258 79 D C -0.525 175.733 176.300 -0.069 0.000 1.252 79 D CA -0.569 53.397 54.000 -0.056 0.000 0.777 79 D CB 2.656 43.432 40.800 -0.041 0.000 1.339 79 D HN -0.372 7.914 8.370 -0.140 0.000 0.422 80 E N 1.277 121.453 120.200 -0.040 0.000 2.371 80 E HA -0.168 nan 4.350 nan 0.000 0.194 80 E C 0.024 176.610 176.600 -0.025 0.000 1.012 80 E CA 2.125 58.504 56.400 -0.034 0.000 0.860 80 E CB -0.315 29.374 29.700 -0.017 0.000 0.811 80 E HN 0.329 8.674 8.360 -0.025 0.000 0.502 81 E N 0.061 120.250 120.200 -0.018 0.000 2.099 81 E HA -0.006 nan 4.350 nan 0.000 0.191 81 E C 1.936 178.516 176.600 -0.033 0.000 0.962 81 E CA 1.720 58.119 56.400 -0.001 0.000 0.826 81 E CB 0.774 30.488 29.700 0.024 0.000 0.788 81 E HN 0.204 9.016 8.360 -0.020 -0.465 0.461 82 V N 1.156 121.032 119.914 -0.062 0.000 2.343 82 V HA -0.392 nan 4.120 nan 0.000 0.247 82 V C 1.907 177.893 176.094 -0.179 0.000 1.051 82 V CA 4.578 66.816 62.300 -0.104 0.000 1.036 82 V CB -0.898 30.862 31.823 -0.106 0.000 0.654 82 V HN 0.152 8.601 8.190 -0.064 -0.297 0.451 83 Q N -1.836 117.848 119.800 -0.192 0.000 2.167 83 Q HA -0.268 nan 4.340 nan 0.000 0.202 83 Q C 1.419 177.337 176.000 -0.137 0.000 0.970 83 Q CA 3.108 58.782 55.803 -0.216 0.000 0.855 83 Q CB -0.474 28.152 28.738 -0.188 0.000 0.911 83 Q HN -0.124 8.040 8.270 -0.140 0.022 0.438 84 R N -2.311 118.142 120.500 -0.080 0.000 2.075 84 R HA -0.119 nan 4.340 nan 0.000 0.226 84 R C 1.965 178.241 176.300 -0.041 0.000 1.114 84 R CA 2.237 58.314 56.100 -0.039 0.000 0.972 84 R CB 0.051 30.361 30.300 0.017 0.000 0.869 84 R HN -0.879 7.221 8.270 -0.067 0.130 0.437 85 D N 1.142 121.510 120.400 -0.054 0.000 2.123 85 D HA -0.231 nan 4.640 nan 0.000 0.196 85 D C 2.495 178.704 176.300 -0.152 0.000 0.992 85 D CA 3.480 57.426 54.000 -0.090 0.000 0.833 85 D CB -0.302 40.444 40.800 -0.091 0.000 0.954 85 D HN 0.302 8.528 8.370 -0.047 0.115 0.455 86 V N -1.406 118.420 119.914 -0.146 0.000 2.720 86 V HA -0.265 nan 4.120 nan 0.000 0.256 86 V C 1.623 177.651 176.094 -0.110 0.000 1.082 86 V CA 3.110 65.327 62.300 -0.138 0.000 1.101 86 V CB -0.624 31.109 31.823 -0.150 0.000 0.693 86 V HN 0.143 8.243 8.190 -0.150 0.000 0.479 87 S N -0.358 115.285 115.700 -0.094 0.000 2.458 87 S HA -0.032 nan 4.470 nan 0.000 0.223 87 S C 1.374 175.941 174.600 -0.056 0.000 1.019 87 S CA 2.276 60.436 58.200 -0.067 0.000 0.937 87 S CB 0.204 63.369 63.200 -0.059 0.000 0.788 87 S HN -0.095 7.991 8.310 -0.094 0.168 0.511 88 I N -5.131 115.403 120.570 -0.061 0.000 3.883 88 I HA 0.320 nan 4.170 nan 0.000 0.305 88 I C 0.464 176.546 176.117 -0.058 0.000 1.247 88 I CA 0.205 61.488 61.300 -0.028 0.000 1.350 88 I CB 1.346 39.364 38.000 0.030 0.000 1.194 88 I HN -0.516 7.546 8.210 -0.073 0.104 0.441 89 M N 1.840 121.325 119.600 -0.192 0.000 2.217 89 M HA 0.245 nan 4.480 nan 0.000 0.354 89 M C -0.870 175.227 176.300 -0.337 0.000 1.225 89 M CA -2.589 52.483 55.300 -0.381 0.000 1.137 89 M CB -1.497 30.575 32.600 -0.879 0.000 1.576 89 M HN 0.125 8.197 8.290 -0.219 0.086 0.461 90 P HA 0.002 nan 4.420 nan 0.000 0.224 90 P C -1.200 176.106 177.300 0.011 0.000 1.157 90 P CA 0.920 64.027 63.100 0.010 0.000 0.799 90 P CB 0.079 31.894 31.700 0.191 0.000 0.809 91 F N -3.118 116.850 119.950 0.030 0.000 2.389 91 F HA 0.270 nan 4.527 nan 0.000 0.337 91 F C -0.780 175.020 175.800 0.001 0.000 1.112 91 F CA -3.531 54.476 58.000 0.013 0.000 1.192 91 F CB 0.827 39.825 39.000 -0.005 0.000 1.185 91 F HN -0.983 7.027 8.300 -0.485 0.000 0.552 92 K N 2.917 123.421 120.400 0.172 0.000 2.228 92 K HA 0.061 nan 4.320 nan 0.000 0.284 92 K C -1.349 175.329 176.600 0.130 0.000 1.088 92 K CA -1.196 55.143 56.287 0.087 0.000 0.941 92 K CB -1.038 31.503 32.500 0.068 0.000 1.158 92 K HN 0.244 8.619 8.250 0.209 0.000 0.438 93 I N 6.877 127.488 120.570 0.068 0.000 2.575 93 I HA 0.347 nan 4.170 nan 0.000 0.285 93 I C -0.086 176.123 176.117 0.153 0.000 1.085 93 I CA 0.568 61.944 61.300 0.126 0.000 1.403 93 I CB 0.750 38.784 38.000 0.057 0.000 1.409 93 I HN -0.430 7.754 8.210 -0.044 0.000 0.557 94 I N 0.798 121.461 120.570 0.155 0.000 3.174 94 I HA 0.538 nan 4.170 nan 0.000 0.313 94 I C -2.125 173.931 176.117 -0.103 0.000 1.155 94 I CA -2.317 58.990 61.300 0.013 0.000 0.977 94 I CB 4.202 42.177 38.000 -0.042 0.000 1.248 94 I HN 0.845 9.045 8.210 0.176 0.116 0.453 95 A N 0.972 123.402 122.820 -0.650 0.000 2.366 95 A HA 0.543 nan 4.320 nan 0.000 0.272 95 A C -1.098 176.262 177.584 -0.372 0.000 1.135 95 A CA -0.696 50.935 52.037 -0.675 0.000 0.804 95 A CB 0.209 18.576 19.000 -1.055 0.000 1.064 95 A HN 0.215 7.865 8.150 -0.834 0.000 0.499 96 A N 3.692 126.280 122.820 -0.386 0.000 2.313 96 A HA 0.097 nan 4.320 nan 0.000 0.261 96 A C 0.025 177.433 177.584 -0.292 0.000 1.090 96 A CA -0.927 50.821 52.037 -0.482 0.000 0.807 96 A CB 0.607 18.977 19.000 -1.051 0.000 1.055 96 A HN 1.009 8.814 8.150 -0.373 0.121 0.492 97 D N 0.474 120.751 120.400 -0.205 0.000 2.354 97 D HA -0.200 nan 4.640 nan 0.000 0.216 97 D C 0.391 176.625 176.300 -0.109 0.000 0.970 97 D CA 2.545 56.470 54.000 -0.125 0.000 0.905 97 D CB -0.366 40.391 40.800 -0.073 0.000 0.903 97 D HN 0.372 8.635 8.370 -0.179 0.000 0.508 98 N N -3.362 115.256 118.700 -0.138 0.000 2.205 98 N HA -0.051 nan 4.740 nan 0.000 0.201 98 N C -0.278 175.176 175.510 -0.093 0.000 1.128 98 N CA -0.509 52.484 53.050 -0.094 0.000 0.867 98 N CB 0.615 39.061 38.487 -0.068 0.000 0.996 98 N HN -0.148 8.072 8.380 -0.206 0.036 0.503 99 G N -0.122 108.599 108.800 -0.130 0.000 2.176 99 G HA2 -0.418 nan 3.960 nan 0.000 0.253 99 G HA3 -0.418 nan 3.960 nan 0.000 0.253 99 G C -1.382 173.484 174.900 -0.056 0.000 0.979 99 G CA 0.138 45.189 45.100 -0.081 0.000 0.641 99 G HN 0.305 8.346 8.290 -0.179 0.141 0.530 100 D N 0.968 121.280 120.400 -0.146 0.000 2.368 100 D HA 0.122 nan 4.640 nan 0.000 0.240 100 D C -1.003 175.256 176.300 -0.068 0.000 1.169 100 D CA 0.530 54.464 54.000 -0.111 0.000 0.906 100 D CB 0.662 41.357 40.800 -0.176 0.000 1.187 100 D HN -0.472 7.709 8.370 -0.221 0.056 0.435 101 A N 0.994 123.875 122.820 0.103 0.000 2.279 101 A HA 0.351 nan 4.320 nan 0.000 0.306 101 A C -1.254 176.515 177.584 0.308 0.000 1.300 101 A CA -0.473 51.684 52.037 0.201 0.000 0.925 101 A CB 0.556 19.657 19.000 0.169 0.000 1.152 101 A HN 0.214 8.330 8.150 0.105 0.097 0.544 102 W N 3.449 124.800 121.300 0.084 0.000 2.967 102 W HA 0.652 nan 4.660 nan 0.000 0.342 102 W C -1.203 175.359 176.519 0.072 0.000 1.162 102 W CA -2.854 54.520 57.345 0.049 0.000 1.085 102 W CB 3.877 33.342 29.460 0.009 0.000 1.460 102 W HN 0.623 8.945 8.180 0.235 0.000 0.584 103 V N -5.614 114.396 119.914 0.161 0.000 2.815 103 V HA 0.793 nan 4.120 nan 0.000 0.314 103 V C -2.375 173.752 176.094 0.054 0.000 1.064 103 V CA -3.218 59.154 62.300 0.119 0.000 0.952 103 V CB 2.850 34.722 31.823 0.083 0.000 1.020 103 V HN 0.677 8.921 8.190 0.091 0.000 0.439 104 E N 2.767 122.998 120.200 0.051 0.000 2.165 104 E HA 0.712 nan 4.350 nan 0.000 0.266 104 E C -2.046 174.537 176.600 -0.029 0.000 0.889 104 E CA -1.659 54.743 56.400 0.003 0.000 0.756 104 E CB 3.308 33.019 29.700 0.017 0.000 1.131 104 E HN 0.711 9.017 8.360 0.093 0.110 0.411 105 V N 4.008 123.856 119.914 -0.111 0.000 2.577 105 V HA 0.385 nan 4.120 nan 0.000 0.303 105 V C -0.042 175.960 176.094 -0.154 0.000 1.042 105 V CA -1.221 60.967 62.300 -0.187 0.000 0.872 105 V CB 1.862 33.411 31.823 -0.457 0.000 0.998 105 V HN 0.693 8.714 8.190 -0.109 0.104 0.423 106 K N 8.118 128.470 120.400 -0.080 0.000 3.048 106 K HA -0.417 nan 4.320 nan 0.000 0.274 106 K C -0.324 176.259 176.600 -0.028 0.000 1.098 106 K CA 1.490 57.755 56.287 -0.037 0.000 0.807 106 K CB -1.380 31.108 32.500 -0.021 0.000 1.217 106 K HN 1.054 9.520 8.250 -0.051 -0.247 0.477 107 G N -5.256 103.525 108.800 -0.031 0.000 2.213 107 G HA2 -0.359 nan 3.960 nan 0.000 0.226 107 G HA3 -0.359 nan 3.960 nan 0.000 0.226 107 G C -0.850 174.034 174.900 -0.027 0.000 0.992 107 G CA -0.313 44.774 45.100 -0.021 0.000 0.632 107 G HN 0.244 8.479 8.290 -0.035 0.034 0.511 108 Q N 0.320 120.092 119.800 -0.047 0.000 2.245 108 Q HA 0.218 nan 4.340 nan 0.000 0.256 108 Q C -0.661 175.309 176.000 -0.050 0.000 0.942 108 Q CA -1.466 54.310 55.803 -0.044 0.000 0.896 108 Q CB 1.522 30.234 28.738 -0.045 0.000 1.272 108 Q HN 0.094 8.160 8.270 -0.070 0.162 0.442 109 K N 3.920 124.308 120.400 -0.021 0.000 2.234 109 K HA 0.399 nan 4.320 nan 0.000 0.282 109 K C -0.867 175.726 176.600 -0.012 0.000 1.039 109 K CA 0.239 56.529 56.287 0.005 0.000 0.928 109 K CB 0.942 33.468 32.500 0.042 0.000 1.039 109 K HN 0.344 8.587 8.250 -0.011 0.000 0.470 110 M N 3.088 122.662 119.600 -0.043 0.000 2.531 110 M HA 0.404 nan 4.480 nan 0.000 0.286 110 M C -2.296 173.800 176.300 -0.339 0.000 1.232 110 M CA -0.803 54.418 55.300 -0.132 0.000 0.877 110 M CB 5.283 37.812 32.600 -0.119 0.000 1.726 110 M HN 0.890 9.054 8.290 -0.030 0.108 0.463 111 A N 0.511 123.039 122.820 -0.486 0.000 2.274 111 A HA 0.664 nan 4.320 nan 0.000 0.309 111 A C -1.859 175.518 177.584 -0.346 0.000 1.226 111 A CA -3.567 47.971 52.037 -0.832 0.000 0.853 111 A CB -0.203 18.444 19.000 -0.588 0.000 1.146 111 A HN 0.980 9.418 8.150 -0.299 -0.467 0.518 112 P HA 0.010 nan 4.420 nan 0.000 0.221 112 P C -1.371 175.893 177.300 -0.059 0.000 1.145 112 P CA 2.947 65.990 63.100 -0.095 0.000 0.795 112 P CB -1.966 29.718 31.700 -0.026 0.000 0.775 113 P HA -0.196 nan 4.420 nan 0.000 0.218 113 P C 1.803 179.084 177.300 -0.031 0.000 1.148 113 P CA 2.852 65.933 63.100 -0.031 0.000 0.822 113 P CB -0.422 31.263 31.700 -0.026 0.000 0.784 114 Q N -2.575 117.194 119.800 -0.051 0.000 2.079 114 Q HA -0.322 nan 4.340 nan 0.000 0.200 114 Q C 1.686 177.682 176.000 -0.007 0.000 0.974 114 Q CA 2.764 58.549 55.803 -0.030 0.000 0.840 114 Q CB -0.220 28.493 28.738 -0.042 0.000 0.898 114 Q HN 0.295 8.394 8.270 -0.085 0.121 0.430 115 I N -0.877 119.684 120.570 -0.016 0.000 2.162 115 I HA -0.239 nan 4.170 nan 0.000 0.238 115 I C 1.950 178.067 176.117 0.000 0.000 1.076 115 I CA 1.708 63.012 61.300 0.008 0.000 1.353 115 I CB -0.705 37.279 38.000 -0.028 0.000 1.063 115 I HN -0.594 7.486 8.210 -0.045 0.103 0.408 116 S N 0.336 116.030 115.700 -0.010 0.000 2.440 116 S HA -0.234 nan 4.470 nan 0.000 0.238 116 S C 1.963 176.561 174.600 -0.003 0.000 1.010 116 S CA 3.496 61.694 58.200 -0.003 0.000 0.972 116 S CB -0.854 62.349 63.200 0.005 0.000 0.774 116 S HN 0.514 8.813 8.310 -0.018 0.000 0.501 117 A N 1.178 123.995 122.820 -0.005 0.000 2.024 117 A HA -0.255 nan 4.320 nan 0.000 0.220 117 A C 1.812 179.390 177.584 -0.011 0.000 1.164 117 A CA 2.902 54.935 52.037 -0.007 0.000 0.643 117 A CB -0.860 18.136 19.000 -0.007 0.000 0.806 117 A HN -0.335 7.653 8.150 -0.006 0.158 0.451 118 E N -3.595 116.598 120.200 -0.012 0.000 2.347 118 E HA -0.190 nan 4.350 nan 0.000 0.196 118 E C 2.483 179.069 176.600 -0.024 0.000 1.008 118 E CA 2.303 58.687 56.400 -0.027 0.000 0.852 118 E CB -0.491 29.183 29.700 -0.044 0.000 0.783 118 E HN 0.237 8.433 8.360 -0.006 0.160 0.505 119 V N 0.836 120.742 119.914 -0.013 0.000 2.323 119 V HA -0.284 nan 4.120 nan 0.000 0.244 119 V C 1.974 178.061 176.094 -0.011 0.000 1.041 119 V CA 4.041 66.335 62.300 -0.010 0.000 1.025 119 V CB -0.445 31.377 31.823 -0.002 0.000 0.656 119 V HN -0.566 7.619 8.190 -0.009 0.000 0.451 120 L N -1.160 120.057 121.223 -0.010 0.000 2.093 120 L HA -0.398 nan 4.340 nan 0.000 0.208 120 L C 1.955 178.818 176.870 -0.011 0.000 1.085 120 L CA 3.732 58.566 54.840 -0.010 0.000 0.755 120 L CB -0.706 41.349 42.059 -0.008 0.000 0.904 120 L HN -0.533 7.581 8.230 -0.009 0.111 0.435 121 K N -1.113 119.279 120.400 -0.014 0.000 2.097 121 K HA -0.390 nan 4.320 nan 0.000 0.206 121 K C 2.237 178.827 176.600 -0.016 0.000 1.049 121 K CA 4.184 60.462 56.287 -0.016 0.000 0.933 121 K CB -0.458 32.029 32.500 -0.021 0.000 0.717 121 K HN 0.467 8.604 8.250 -0.016 0.104 0.442 122 K N -0.145 120.244 120.400 -0.018 0.000 2.057 122 K HA -0.257 nan 4.320 nan 0.000 0.206 122 K C 2.343 178.937 176.600 -0.010 0.000 1.050 122 K CA 3.030 59.307 56.287 -0.017 0.000 0.935 122 K CB -0.374 32.115 32.500 -0.019 0.000 0.715 122 K HN -0.805 7.308 8.250 -0.019 0.126 0.439 123 M N -0.982 118.612 119.600 -0.010 0.000 2.117 123 M HA -0.291 nan 4.480 nan 0.000 0.262 123 M C 2.179 178.477 176.300 -0.004 0.000 1.065 123 M CA 1.943 57.237 55.300 -0.009 0.000 1.114 123 M CB -1.035 31.558 32.600 -0.012 0.000 1.361 123 M HN 0.108 8.189 8.290 -0.011 0.202 0.408 124 K N -0.089 120.309 120.400 -0.004 0.000 2.026 124 K HA -0.409 nan 4.320 nan 0.000 0.208 124 K C 1.951 178.553 176.600 0.004 0.000 1.048 124 K CA 3.945 60.231 56.287 -0.001 0.000 0.929 124 K CB -0.067 32.431 32.500 -0.004 0.000 0.713 124 K HN 0.585 8.710 8.250 -0.007 0.120 0.439 125 K N -1.336 119.064 120.400 0.000 0.000 2.032 125 K HA -0.285 nan 4.320 nan 0.000 0.209 125 K C 2.451 179.059 176.600 0.013 0.000 1.048 125 K CA 2.927 59.216 56.287 0.003 0.000 0.927 125 K CB -0.576 31.922 32.500 -0.004 0.000 0.712 125 K HN -0.233 7.835 8.250 -0.004 0.179 0.441 126 T N 1.358 115.919 114.554 0.012 0.000 2.720 126 T HA -0.300 nan 4.350 nan 0.000 0.268 126 T C 2.027 176.753 174.700 0.043 0.000 1.037 126 T CA 4.863 66.975 62.100 0.021 0.000 1.144 126 T CB -0.612 68.259 68.868 0.005 0.000 0.864 126 T HN 0.283 8.409 8.240 0.004 0.116 0.444 127 A N 1.226 124.068 122.820 0.035 0.000 1.873 127 A HA -0.241 nan 4.320 nan 0.000 0.215 127 A C 1.899 179.531 177.584 0.081 0.000 1.186 127 A CA 3.135 55.207 52.037 0.058 0.000 0.616 127 A CB -0.812 18.207 19.000 0.033 0.000 0.823 127 A HN -0.014 8.027 8.150 0.021 0.121 0.442 128 E N -1.036 119.190 120.200 0.044 0.000 2.085 128 E HA -0.440 nan 4.350 nan 0.000 0.194 128 E C 2.446 179.063 176.600 0.029 0.000 0.994 128 E CA 3.255 59.672 56.400 0.029 0.000 0.801 128 E CB -0.204 29.503 29.700 0.011 0.000 0.743 128 E HN 0.396 8.662 8.360 0.029 0.112 0.453 129 D N -0.965 119.461 120.400 0.042 0.000 2.218 129 D HA -0.193 nan 4.640 nan 0.000 0.204 129 D C 1.397 177.732 176.300 0.058 0.000 0.976 129 D CA 3.027 57.050 54.000 0.039 0.000 0.853 129 D CB -0.303 40.522 40.800 0.042 0.000 0.939 129 D HN 0.233 8.527 8.370 0.044 0.103 0.481 130 Y N -1.623 118.670 120.300 -0.011 0.000 2.269 130 Y HA -0.131 nan 4.550 nan 0.000 0.294 130 Y C 0.475 176.369 175.900 -0.010 0.000 1.120 130 Y CA 1.908 60.001 58.100 -0.011 0.000 1.159 130 Y CB 0.730 39.183 38.460 -0.011 0.000 1.024 130 Y HN -0.925 7.395 8.280 0.207 0.085 0.532 131 L N -2.826 118.371 121.223 -0.043 0.000 2.131 131 L HA -0.202 nan 4.340 nan 0.000 0.206 131 L C 1.249 178.046 176.870 -0.123 0.000 1.087 131 L CA 1.179 55.959 54.840 -0.101 0.000 0.767 131 L CB 0.819 42.885 42.059 0.012 0.000 0.917 131 L HN -0.408 7.765 8.230 0.065 0.096 0.441 132 G N -2.946 105.809 108.800 -0.076 0.000 2.268 132 G HA2 -0.415 nan 3.960 nan 0.000 0.240 132 G HA3 -0.415 nan 3.960 nan 0.000 0.240 132 G C -1.192 173.685 174.900 -0.039 0.000 1.010 132 G CA 0.248 45.310 45.100 -0.064 0.000 0.618 132 G HN 0.319 8.458 8.290 -0.043 0.124 0.516 133 E N 0.589 120.769 120.200 -0.033 0.000 2.283 133 E HA 0.349 nan 4.350 nan 0.000 0.271 133 E C -2.528 174.065 176.600 -0.012 0.000 1.031 133 E CA -3.518 52.870 56.400 -0.021 0.000 0.868 133 E CB 0.595 30.282 29.700 -0.020 0.000 1.094 133 E HN -0.161 8.095 8.360 -0.036 0.082 0.401 134 P HA 0.001 nan 4.420 nan 0.000 0.276 134 P C -1.526 175.772 177.300 -0.004 0.000 1.235 134 P CA -0.314 62.782 63.100 -0.006 0.000 0.772 134 P CB 0.527 32.223 31.700 -0.007 0.000 0.871 135 V N 5.544 125.458 119.914 -0.001 0.000 2.617 135 V HA 0.141 nan 4.120 nan 0.000 0.298 135 V C 0.007 176.100 176.094 -0.002 0.000 1.048 135 V CA -0.094 62.206 62.300 0.001 0.000 0.964 135 V CB 1.875 33.701 31.823 0.005 0.000 1.004 135 V HN -0.051 8.474 8.190 0.000 -0.334 0.466 136 T N -1.100 113.452 114.554 -0.003 0.000 3.262 136 T HA 0.252 nan 4.350 nan 0.000 0.300 136 T C -0.923 173.774 174.700 -0.005 0.000 0.959 136 T CA 0.010 62.108 62.100 -0.004 0.000 0.936 136 T CB 0.488 69.354 68.868 -0.004 0.000 1.169 136 T HN 0.160 8.399 8.240 -0.003 0.000 0.532 137 E N -0.543 119.654 120.200 -0.005 0.000 2.383 137 E HA 0.707 nan 4.350 nan 0.000 0.275 137 E C -2.448 174.147 176.600 -0.009 0.000 0.918 137 E CA -0.999 55.397 56.400 -0.007 0.000 0.764 137 E CB 4.252 33.948 29.700 -0.008 0.000 1.252 137 E HN -0.448 7.910 8.360 -0.004 0.000 0.449 138 A N 0.557 123.370 122.820 -0.012 0.000 2.566 138 A HA 0.973 nan 4.320 nan 0.000 0.292 138 A C -2.588 174.983 177.584 -0.021 0.000 1.112 138 A CA -1.405 50.623 52.037 -0.015 0.000 0.707 138 A CB 3.999 22.991 19.000 -0.014 0.000 1.302 138 A HN 1.134 9.163 8.150 -0.012 0.114 0.409 139 V N -0.733 119.165 119.914 -0.027 0.000 2.715 139 V HA 0.825 nan 4.120 nan 0.000 0.310 139 V C -1.535 174.538 176.094 -0.036 0.000 1.054 139 V CA -1.349 60.931 62.300 -0.035 0.000 0.928 139 V CB 2.635 34.432 31.823 -0.044 0.000 1.007 139 V HN 0.769 8.943 8.190 -0.027 0.000 0.437 140 I N 3.020 123.567 120.570 -0.038 0.000 2.769 140 I HA 0.638 nan 4.170 nan 0.000 0.298 140 I C -1.526 174.559 176.117 -0.054 0.000 1.128 140 I CA -1.471 59.805 61.300 -0.039 0.000 1.031 140 I CB 4.524 42.510 38.000 -0.025 0.000 1.235 140 I HN -0.061 8.125 8.210 -0.040 0.000 0.423 141 T N 2.389 116.903 114.554 -0.066 0.000 2.913 141 T HA 0.589 nan 4.350 nan 0.000 0.287 141 T C 0.075 174.696 174.700 -0.131 0.000 1.008 141 T CA -1.540 60.503 62.100 -0.095 0.000 1.067 141 T CB 0.430 69.241 68.868 -0.096 0.000 0.996 141 T HN -0.045 8.160 8.240 -0.059 0.000 0.513 142 V N -6.416 113.377 119.914 -0.203 0.000 3.188 142 V HA 0.662 nan 4.120 nan 0.000 0.305 142 V C -2.613 173.178 176.094 -0.505 0.000 1.232 142 V CA -3.657 58.406 62.300 -0.395 0.000 1.043 142 V CB 1.560 33.184 31.823 -0.331 0.000 1.068 142 V HN 0.230 8.310 8.190 -0.183 0.000 0.439 143 P HA 0.132 nan 4.420 nan 0.000 0.272 143 P C -0.434 176.568 177.300 -0.498 0.000 1.254 143 P CA 0.092 62.773 63.100 -0.698 0.000 0.795 143 P CB 0.433 31.503 31.700 -1.049 0.000 1.022 144 A N -0.498 122.178 122.820 -0.240 0.000 2.067 144 A HA -0.109 nan 4.320 nan 0.000 0.217 144 A C 0.574 178.176 177.584 0.030 0.000 1.156 144 A CA 1.916 53.916 52.037 -0.061 0.000 0.683 144 A CB -0.300 18.719 19.000 0.031 0.000 0.808 144 A HN 0.550 8.603 8.150 -0.163 0.000 0.455 145 Y N -7.817 112.515 120.300 0.053 0.000 2.493 145 Y HA 0.245 nan 4.550 nan 0.000 0.275 145 Y C -1.314 174.743 175.900 0.261 0.000 1.183 145 Y CA -2.368 55.806 58.100 0.125 0.000 1.258 145 Y CB -0.843 37.674 38.460 0.095 0.000 1.108 145 Y HN -0.480 7.603 8.280 -0.330 0.000 0.521 146 F N 2.803 122.608 119.950 -0.241 0.000 2.412 146 F HA 0.010 nan 4.527 nan 0.000 0.348 146 F C 0.397 176.167 175.800 -0.050 0.000 1.102 146 F CA -0.797 57.103 58.000 -0.167 0.000 1.196 146 F CB 0.677 39.556 39.000 -0.202 0.000 1.144 146 F HN -0.762 7.492 8.300 0.026 0.061 0.541 147 N N 3.722 122.456 118.700 0.057 0.000 2.476 147 N HA 0.025 nan 4.740 nan 0.000 0.287 147 N C 0.171 175.692 175.510 0.018 0.000 1.262 147 N CA -1.021 52.049 53.050 0.033 0.000 0.980 147 N CB 1.421 39.913 38.487 0.008 0.000 1.163 147 N HN -0.095 8.256 8.380 -0.049 0.000 0.592 148 D N -1.371 119.037 120.400 0.014 0.000 2.178 148 D HA -0.325 nan 4.640 nan 0.000 0.201 148 D C 1.484 177.783 176.300 -0.003 0.000 0.980 148 D CA 4.362 58.370 54.000 0.013 0.000 0.842 148 D CB -0.249 40.558 40.800 0.011 0.000 0.948 148 D HN 0.462 8.841 8.370 0.015 0.000 0.472 149 A N -0.227 122.578 122.820 -0.025 0.000 1.930 149 A HA -0.232 nan 4.320 nan 0.000 0.217 149 A C 2.349 179.896 177.584 -0.063 0.000 1.175 149 A CA 2.881 54.897 52.037 -0.035 0.000 0.627 149 A CB -0.581 18.395 19.000 -0.040 0.000 0.815 149 A HN -0.196 8.154 8.150 -0.032 -0.219 0.443 150 Q N -1.971 117.751 119.800 -0.130 0.000 2.123 150 Q HA -0.332 nan 4.340 nan 0.000 0.199 150 Q C 2.841 178.834 176.000 -0.011 0.000 0.966 150 Q CA 2.963 58.627 55.803 -0.231 0.000 0.845 150 Q CB 0.003 28.294 28.738 -0.745 0.000 0.907 150 Q HN -0.257 8.037 8.270 -0.119 -0.096 0.439 151 R N -0.677 119.858 120.500 0.059 0.000 2.075 151 R HA -0.329 nan 4.340 nan 0.000 0.232 151 R C 2.484 178.814 176.300 0.050 0.000 1.126 151 R CA 3.314 59.472 56.100 0.097 0.000 0.963 151 R CB -0.096 30.249 30.300 0.074 0.000 0.858 151 R HN 0.241 8.329 8.270 0.024 0.197 0.435 152 Q N -0.597 119.217 119.800 0.023 0.000 2.119 152 Q HA -0.213 nan 4.340 nan 0.000 0.201 152 Q C 1.772 177.780 176.000 0.014 0.000 0.972 152 Q CA 2.431 58.243 55.803 0.015 0.000 0.847 152 Q CB -0.715 28.028 28.738 0.009 0.000 0.903 152 Q HN 0.202 8.375 8.270 0.012 0.104 0.433 153 A N -1.569 121.256 122.820 0.008 0.000 1.940 153 A HA -0.287 nan 4.320 nan 0.000 0.219 153 A C 1.915 179.511 177.584 0.019 0.000 1.176 153 A CA 3.655 55.696 52.037 0.007 0.000 0.631 153 A CB -0.987 18.008 19.000 -0.008 0.000 0.814 153 A HN -0.120 7.933 8.150 0.000 0.097 0.446 154 T N -0.468 114.110 114.554 0.040 0.000 2.857 154 T HA -0.241 nan 4.350 nan 0.000 0.266 154 T C 2.238 176.952 174.700 0.022 0.000 1.048 154 T CA 4.458 66.584 62.100 0.044 0.000 1.139 154 T CB -0.435 68.476 68.868 0.072 0.000 0.874 154 T HN -0.442 7.700 8.240 0.050 0.127 0.455 155 K N 0.902 121.313 120.400 0.019 0.000 2.097 155 K HA -0.286 nan 4.320 nan 0.000 0.205 155 K C 2.233 178.837 176.600 0.005 0.000 1.050 155 K CA 3.288 59.580 56.287 0.009 0.000 0.938 155 K CB -0.392 32.112 32.500 0.008 0.000 0.718 155 K HN -0.775 7.376 8.250 0.023 0.113 0.442 156 D N -0.181 120.223 120.400 0.006 0.000 2.117 156 D HA -0.236 nan 4.640 nan 0.000 0.197 156 D C 2.014 178.314 176.300 -0.001 0.000 0.987 156 D CA 3.419 57.421 54.000 0.002 0.000 0.829 156 D CB -0.620 40.181 40.800 0.002 0.000 0.961 156 D HN 0.395 8.661 8.370 0.009 0.110 0.460 157 A N -1.357 121.464 122.820 0.001 0.000 1.940 157 A HA -0.197 nan 4.320 nan 0.000 0.219 157 A C 2.362 179.945 177.584 -0.002 0.000 1.176 157 A CA 2.776 54.812 52.037 -0.001 0.000 0.631 157 A CB -0.685 18.317 19.000 0.004 0.000 0.814 157 A HN -0.166 7.884 8.150 0.006 0.104 0.446 158 G N -1.665 107.134 108.800 -0.000 0.000 2.433 158 G HA2 -0.351 nan 3.960 nan 0.000 0.216 158 G HA3 -0.351 nan 3.960 nan 0.000 0.216 158 G C 1.207 176.105 174.900 -0.004 0.000 1.186 158 G CA 1.695 46.793 45.100 -0.003 0.000 0.779 158 G HN -0.312 7.831 8.290 0.002 0.148 0.543 159 R N 2.661 123.160 120.500 -0.003 0.000 2.096 159 R HA -0.234 nan 4.340 nan 0.000 0.235 159 R C 2.949 179.247 176.300 -0.004 0.000 1.127 159 R CA 1.948 58.046 56.100 -0.003 0.000 0.968 159 R CB -0.459 29.840 30.300 -0.002 0.000 0.861 159 R HN -0.357 7.812 8.270 -0.001 0.101 0.440 160 I N -0.237 120.330 120.570 -0.005 0.000 2.567 160 I HA -0.308 nan 4.170 nan 0.000 0.257 160 I C 0.544 176.657 176.117 -0.006 0.000 1.184 160 I CA 2.836 64.132 61.300 -0.006 0.000 1.451 160 I CB -0.107 37.888 38.000 -0.008 0.000 1.089 160 I HN -0.047 8.160 8.210 -0.004 0.000 0.441 161 A N -1.868 120.948 122.820 -0.006 0.000 2.275 161 A HA 0.144 nan 4.320 nan 0.000 0.212 161 A C 0.309 177.889 177.584 -0.007 0.000 1.201 161 A CA -0.352 51.681 52.037 -0.007 0.000 0.843 161 A CB 0.249 19.245 19.000 -0.008 0.000 0.873 161 A HN -0.336 7.657 8.150 -0.006 0.154 0.492 162 G N -1.863 106.934 108.800 -0.006 0.000 2.160 162 G HA2 -0.371 nan 3.960 nan 0.000 0.244 162 G HA3 -0.371 nan 3.960 nan 0.000 0.244 162 G C -0.926 173.971 174.900 -0.005 0.000 1.022 162 G CA 0.207 45.304 45.100 -0.005 0.000 0.741 162 G HN -0.258 7.839 8.290 -0.005 0.189 0.508 163 L N -0.561 120.659 121.223 -0.005 0.000 2.298 163 L HA 0.071 nan 4.340 nan 0.000 0.284 163 L C -0.942 175.924 176.870 -0.006 0.000 1.013 163 L CA -1.281 53.556 54.840 -0.006 0.000 0.824 163 L CB 0.827 42.882 42.059 -0.007 0.000 1.221 163 L HN -0.345 7.862 8.230 -0.005 0.020 0.418 164 E N 4.401 124.598 120.200 -0.006 0.000 2.290 164 E HA -0.000 nan 4.350 nan 0.000 0.277 164 E C -0.980 175.615 176.600 -0.008 0.000 1.035 164 E CA -0.315 56.082 56.400 -0.006 0.000 0.873 164 E CB 0.931 30.628 29.700 -0.006 0.000 1.029 164 E HN 0.294 8.527 8.360 -0.006 0.124 0.419 165 V N 5.777 125.686 119.914 -0.008 0.000 2.339 165 V HA 0.068 nan 4.120 nan 0.000 0.261 165 V C 0.152 176.239 176.094 -0.012 0.000 1.058 165 V CA -0.162 62.132 62.300 -0.010 0.000 0.897 165 V CB -1.043 30.776 31.823 -0.008 0.000 1.052 165 V HN 0.629 8.816 8.190 -0.006 0.000 0.480 166 K N 7.332 127.722 120.400 -0.016 0.000 2.426 166 K HA 0.054 nan 4.320 nan 0.000 0.193 166 K C -0.498 176.088 176.600 -0.023 0.000 1.028 166 K CA -0.608 55.668 56.287 -0.017 0.000 1.047 166 K CB 0.721 33.211 32.500 -0.017 0.000 0.821 166 K HN 0.737 8.976 8.250 -0.018 0.000 0.513 167 R N -2.364 118.120 120.500 -0.027 0.000 2.739 167 R HA 0.124 nan 4.340 nan 0.000 0.266 167 R C -2.801 173.478 176.300 -0.034 0.000 1.044 167 R CA -0.027 56.053 56.100 -0.034 0.000 0.885 167 R CB 3.632 33.902 30.300 -0.049 0.000 1.260 167 R HN -0.670 7.554 8.270 -0.026 0.030 0.477 168 I N 3.755 124.304 120.570 -0.034 0.000 2.468 168 I HA 0.682 nan 4.170 nan 0.000 0.285 168 I C -1.796 174.293 176.117 -0.046 0.000 1.039 168 I CA -1.869 59.411 61.300 -0.034 0.000 1.074 168 I CB 1.785 39.776 38.000 -0.015 0.000 1.228 168 I HN -0.008 8.181 8.210 -0.035 0.000 0.436 169 I N 4.479 125.011 120.570 -0.063 0.000 2.910 169 I HA 0.546 nan 4.170 nan 0.000 0.310 169 I C -1.887 174.178 176.117 -0.087 0.000 1.043 169 I CA -2.467 58.786 61.300 -0.078 0.000 1.053 169 I CB 4.268 42.210 38.000 -0.098 0.000 1.242 169 I HN 0.805 8.977 8.210 -0.063 0.000 0.452 170 N N 1.023 119.673 118.700 -0.083 0.000 2.509 170 N HA 0.230 nan 4.740 nan 0.000 0.287 170 N C 0.985 176.440 175.510 -0.091 0.000 1.121 170 N CA -1.333 51.658 53.050 -0.098 0.000 0.977 170 N CB 0.518 38.965 38.487 -0.067 0.000 1.167 170 N HN 0.029 8.363 8.380 -0.076 0.000 0.476 171 E N 2.771 122.897 120.200 -0.123 0.000 2.085 171 E HA -0.239 nan 4.350 nan 0.000 0.194 171 E C -0.210 176.362 176.600 -0.046 0.000 0.994 171 E CA 5.740 62.081 56.400 -0.098 0.000 0.801 171 E CB -1.541 28.077 29.700 -0.136 0.000 0.743 171 E HN 0.965 9.110 8.360 -0.177 0.108 0.453 172 P HA -0.090 nan 4.420 nan 0.000 0.218 172 P C 1.494 178.824 177.300 0.051 0.000 1.149 172 P CA 3.218 66.328 63.100 0.016 0.000 0.817 172 P CB -0.445 31.264 31.700 0.016 0.000 0.785 173 T N 0.696 115.273 114.554 0.039 0.000 2.737 173 T HA -0.221 nan 4.350 nan 0.000 0.265 173 T C 1.676 176.402 174.700 0.044 0.000 1.038 173 T CA 4.802 66.948 62.100 0.076 0.000 1.144 173 T CB -0.671 68.202 68.868 0.007 0.000 0.866 173 T HN -0.463 7.642 8.240 0.002 0.136 0.434 174 A N 0.973 123.786 122.820 -0.011 0.000 1.883 174 A HA -0.327 nan 4.320 nan 0.000 0.217 174 A C 1.588 179.167 177.584 -0.009 0.000 1.186 174 A CA 3.025 55.043 52.037 -0.032 0.000 0.624 174 A CB -0.833 18.133 19.000 -0.057 0.000 0.822 174 A HN 0.486 8.504 8.150 -0.030 0.114 0.444 175 A N -2.009 120.829 122.820 0.030 0.000 1.883 175 A HA -0.367 nan 4.320 nan 0.000 0.217 175 A C 1.896 179.590 177.584 0.183 0.000 1.186 175 A CA 2.990 55.088 52.037 0.102 0.000 0.624 175 A CB -0.683 18.405 19.000 0.148 0.000 0.822 175 A HN 0.562 8.608 8.150 0.018 0.114 0.444 176 A N -1.897 121.021 122.820 0.162 0.000 1.902 176 A HA -0.293 nan 4.320 nan 0.000 0.217 176 A C 2.103 179.797 177.584 0.183 0.000 1.181 176 A CA 2.864 55.014 52.037 0.188 0.000 0.623 176 A CB -0.752 18.358 19.000 0.183 0.000 0.818 176 A HN 0.029 8.153 8.150 0.134 0.106 0.443 177 L N -2.005 119.304 121.223 0.144 0.000 2.046 177 L HA -0.400 nan 4.340 nan 0.000 0.208 177 L C 2.846 179.732 176.870 0.027 0.000 1.077 177 L CA 2.846 57.746 54.840 0.100 0.000 0.747 177 L CB -0.470 41.601 42.059 0.020 0.000 0.896 177 L HN 0.395 8.501 8.230 0.107 0.189 0.432 178 A N -0.370 122.419 122.820 -0.053 0.000 1.940 178 A HA -0.239 nan 4.320 nan 0.000 0.219 178 A C 1.281 178.707 177.584 -0.262 0.000 1.176 178 A CA 2.839 54.750 52.037 -0.210 0.000 0.631 178 A CB -0.576 18.189 19.000 -0.391 0.000 0.814 178 A HN 0.135 8.159 8.150 -0.032 0.106 0.446 179 Y N -3.860 116.449 120.300 0.016 0.000 2.470 179 Y HA 0.010 nan 4.550 nan 0.000 0.284 179 Y C 0.020 175.927 175.900 0.012 0.000 1.188 179 Y CA -0.108 57.998 58.100 0.010 0.000 1.269 179 Y CB -0.672 37.791 38.460 0.004 0.000 1.094 179 Y HN -0.407 7.924 8.280 0.118 0.020 0.518 180 G N -2.220 106.645 108.800 0.108 0.000 2.141 180 G HA2 -0.404 nan 3.960 nan 0.000 0.231 180 G HA3 -0.404 nan 3.960 nan 0.000 0.231 180 G C -0.059 174.891 174.900 0.083 0.000 0.984 180 G CA 0.122 45.268 45.100 0.078 0.000 0.660 180 G HN -0.053 8.090 8.290 0.074 0.192 0.525 181 L N 0.020 121.306 121.223 0.105 0.000 2.873 181 L HA 0.056 nan 4.340 nan 0.000 0.236 181 L C -0.491 176.442 176.870 0.104 0.000 1.375 181 L CA -0.284 54.600 54.840 0.074 0.000 1.239 181 L CB -1.666 40.425 42.059 0.053 0.000 1.603 181 L HN -0.325 7.984 8.230 0.132 0.000 0.430 182 D N 0.968 121.445 120.400 0.128 0.000 2.271 182 D HA -0.016 nan 4.640 nan 0.000 0.206 182 D C -0.816 175.550 176.300 0.110 0.000 0.967 182 D CA 1.864 55.984 54.000 0.200 0.000 0.867 182 D CB 0.846 41.734 40.800 0.147 0.000 0.960 182 D HN 0.090 8.436 8.370 0.098 0.083 0.509 183 K N -3.358 117.068 120.400 0.044 0.000 2.711 183 K HA 0.225 nan 4.320 nan 0.000 0.294 183 K C -0.966 175.636 176.600 0.004 0.000 1.037 183 K CA 0.026 56.324 56.287 0.018 0.000 0.858 183 K CB 1.425 33.943 32.500 0.031 0.000 1.521 183 K HN -0.804 7.470 8.250 0.040 0.000 0.386 184 G N -0.706 108.091 108.800 -0.004 0.000 2.140 184 G HA2 -0.299 nan 3.960 nan 0.000 0.211 184 G HA3 -0.299 nan 3.960 nan 0.000 0.211 184 G C -0.941 173.951 174.900 -0.013 0.000 1.013 184 G CA 0.174 45.271 45.100 -0.005 0.000 0.705 184 G HN 0.532 8.817 8.290 -0.008 0.000 0.508 185 T N -1.278 113.262 114.554 -0.024 0.000 2.792 185 T HA 0.220 nan 4.350 nan 0.000 0.303 185 T C -0.300 174.378 174.700 -0.036 0.000 1.310 185 T CA -0.775 61.307 62.100 -0.030 0.000 1.007 185 T CB 2.351 71.196 68.868 -0.038 0.000 1.335 185 T HN -0.384 7.839 8.240 -0.028 0.000 0.504 186 G N -0.358 108.420 108.800 -0.035 0.000 2.453 186 G HA2 -0.155 nan 3.960 nan 0.000 0.215 186 G HA3 -0.155 nan 3.960 nan 0.000 0.215 186 G C -1.198 173.670 174.900 -0.053 0.000 1.147 186 G CA 0.883 45.961 45.100 -0.038 0.000 0.802 186 G HN 0.135 8.405 8.290 -0.033 0.000 0.535 187 N N -2.168 116.498 118.700 -0.057 0.000 2.446 187 N HA 0.460 nan 4.740 nan 0.000 0.272 187 N C -2.034 173.435 175.510 -0.068 0.000 1.127 187 N CA -0.165 52.844 53.050 -0.068 0.000 0.896 187 N CB 2.289 40.745 38.487 -0.051 0.000 1.658 187 N HN -0.681 7.670 8.380 -0.050 0.000 0.483 188 R N 1.510 121.958 120.500 -0.086 0.000 2.604 188 R HA 0.526 nan 4.340 nan 0.000 0.281 188 R C -1.776 174.480 176.300 -0.072 0.000 1.020 188 R CA -1.156 54.900 56.100 -0.073 0.000 0.899 188 R CB 5.278 35.534 30.300 -0.074 0.000 1.205 188 R HN 0.909 9.115 8.270 -0.107 0.000 0.450 189 T N 5.780 120.301 114.554 -0.055 0.000 2.756 189 T HA 0.765 nan 4.350 nan 0.000 0.290 189 T C -1.180 173.486 174.700 -0.057 0.000 0.985 189 T CA 0.151 62.225 62.100 -0.044 0.000 0.955 189 T CB 0.321 69.174 68.868 -0.025 0.000 0.930 189 T HN 1.115 9.877 8.240 -0.052 -0.553 0.451 190 I N 5.971 126.509 120.570 -0.054 0.000 2.562 190 I HA 0.874 nan 4.170 nan 0.000 0.301 190 I C -2.298 173.776 176.117 -0.072 0.000 1.003 190 I CA -1.811 59.445 61.300 -0.075 0.000 1.127 190 I CB 3.371 41.344 38.000 -0.044 0.000 1.304 190 I HN 1.081 9.269 8.210 -0.036 0.000 0.446 191 A N 5.584 128.312 122.820 -0.154 0.000 2.287 191 A HA 0.767 nan 4.320 nan 0.000 0.317 191 A C -1.992 175.546 177.584 -0.078 0.000 1.220 191 A CA -1.727 50.233 52.037 -0.127 0.000 0.835 191 A CB 1.662 20.455 19.000 -0.344 0.000 1.180 191 A HN 1.083 8.977 8.150 -0.240 0.112 0.500 192 V N 4.994 124.919 119.914 0.019 0.000 2.328 192 V HA 0.498 nan 4.120 nan 0.000 0.278 192 V C -1.738 174.421 176.094 0.108 0.000 1.021 192 V CA -1.293 61.038 62.300 0.052 0.000 0.838 192 V CB 0.285 32.132 31.823 0.040 0.000 0.999 192 V HN 0.920 9.025 8.190 0.036 0.107 0.447 193 Y N 9.444 129.756 120.300 0.019 0.000 2.434 193 Y HA 0.348 nan 4.550 nan 0.000 0.341 193 Y C -2.594 173.342 175.900 0.059 0.000 0.965 193 Y CA -1.600 56.549 58.100 0.082 0.000 1.205 193 Y CB 1.554 40.119 38.460 0.176 0.000 1.121 193 Y HN 0.946 9.371 8.280 0.241 0.000 0.507 194 D N 9.423 129.710 120.400 -0.188 0.000 2.414 194 D HA 0.405 nan 4.640 nan 0.000 0.232 194 D C -2.641 173.551 176.300 -0.180 0.000 1.070 194 D CA -1.011 52.911 54.000 -0.129 0.000 0.839 194 D CB 2.524 43.239 40.800 -0.141 0.000 1.079 194 D HN 0.856 8.948 8.370 -0.464 0.000 0.521 195 L N 8.505 129.739 121.223 0.018 0.000 2.417 195 L HA 0.612 nan 4.340 nan 0.000 0.259 195 L C -1.917 175.014 176.870 0.102 0.000 1.023 195 L CA -1.518 53.392 54.840 0.116 0.000 0.901 195 L CB 1.833 43.980 42.059 0.146 0.000 1.227 195 L HN 0.103 8.393 8.230 0.101 0.000 0.454 196 G N 2.956 111.799 108.800 0.071 0.000 2.783 196 G HA2 0.291 nan 3.960 nan 0.000 0.182 196 G HA3 0.291 nan 3.960 nan 0.000 0.182 196 G C -0.143 174.793 174.900 0.061 0.000 1.516 196 G CA -0.607 44.526 45.100 0.054 0.000 1.079 196 G HN 0.459 8.790 8.290 0.067 0.000 0.573 197 G N -1.313 107.517 108.800 0.051 0.000 2.492 197 G HA2 -0.065 nan 3.960 nan 0.000 0.214 197 G HA3 -0.065 nan 3.960 nan 0.000 0.214 197 G C 0.110 175.046 174.900 0.059 0.000 1.147 197 G CA 0.342 45.474 45.100 0.054 0.000 0.809 197 G HN 0.377 8.693 8.290 0.044 0.000 0.533 198 G N -1.886 106.949 108.800 0.058 0.000 5.482 198 G HA2 0.052 nan 3.960 nan 0.000 0.208 198 G HA3 0.052 nan 3.960 nan 0.000 0.208 198 G C -2.134 172.785 174.900 0.031 0.000 0.756 198 G CA 0.355 45.488 45.100 0.055 0.000 0.682 198 G HN -0.219 8.102 8.290 0.053 0.000 0.405 199 T N -2.968 111.612 114.554 0.044 0.000 2.827 199 T HA 0.312 nan 4.350 nan 0.000 0.328 199 T C -2.467 172.290 174.700 0.094 0.000 1.598 199 T CA -1.089 61.040 62.100 0.049 0.000 1.043 199 T CB 2.678 71.567 68.868 0.035 0.000 1.447 199 T HN -0.851 7.423 8.240 0.056 0.000 0.491 200 F N 0.446 120.356 119.950 -0.067 0.000 2.561 200 F HA 0.734 nan 4.527 nan 0.000 0.313 200 F C -2.875 172.874 175.800 -0.086 0.000 1.126 200 F CA -1.706 56.224 58.000 -0.118 0.000 0.918 200 F CB 3.318 42.226 39.000 -0.154 0.000 1.199 200 F HN -0.067 8.310 8.300 0.127 0.000 0.444 201 D N 6.876 126.620 120.400 -1.093 0.000 2.819 201 D HA 0.718 nan 4.640 nan 0.000 0.232 201 D C -2.716 172.912 176.300 -1.119 0.000 1.160 201 D CA -0.145 53.344 54.000 -0.852 0.000 0.858 201 D CB 5.071 45.683 40.800 -0.313 0.000 1.610 201 D HN 0.782 8.415 8.370 -1.046 0.109 0.481 202 I N 2.282 122.451 120.570 -0.668 0.000 2.436 202 I HA 0.644 nan 4.170 nan 0.000 0.289 202 I C -2.730 173.330 176.117 -0.096 0.000 1.010 202 I CA -2.406 58.738 61.300 -0.260 0.000 1.098 202 I CB 3.236 41.243 38.000 0.013 0.000 1.266 202 I HN 1.003 8.801 8.210 -0.483 0.121 0.434 203 S N 8.895 124.580 115.700 -0.025 0.000 2.647 203 S HA 0.713 nan 4.470 nan 0.000 0.300 203 S C -1.698 172.929 174.600 0.046 0.000 1.129 203 S CA -0.343 57.867 58.200 0.016 0.000 1.029 203 S CB 2.052 65.256 63.200 0.007 0.000 1.007 203 S HN 0.470 8.777 8.310 -0.003 0.000 0.484 204 I N 5.889 126.496 120.570 0.062 0.000 2.354 204 I HA 0.846 nan 4.170 nan 0.000 0.292 204 I C -1.528 174.617 176.117 0.046 0.000 0.989 204 I CA -0.616 60.722 61.300 0.064 0.000 1.188 204 I CB 1.178 39.236 38.000 0.097 0.000 1.342 204 I HN 1.208 9.340 8.210 0.063 0.116 0.457 205 I N 1.742 122.331 120.570 0.030 0.000 2.865 205 I HA 0.834 nan 4.170 nan 0.000 0.302 205 I C -2.128 173.990 176.117 0.002 0.000 1.140 205 I CA -2.012 59.304 61.300 0.027 0.000 1.021 205 I CB 4.163 42.188 38.000 0.042 0.000 1.233 205 I HN 0.878 9.099 8.210 0.019 0.000 0.427 206 E N 2.716 122.911 120.200 -0.007 0.000 2.187 206 E HA 0.773 nan 4.350 nan 0.000 0.268 206 E C -1.635 174.910 176.600 -0.091 0.000 0.896 206 E CA -1.739 54.637 56.400 -0.040 0.000 0.766 206 E CB 3.226 32.911 29.700 -0.025 0.000 1.142 206 E HN 0.479 8.844 8.360 0.008 0.000 0.408 207 I N 4.672 125.147 120.570 -0.159 0.000 2.382 207 I HA 0.551 nan 4.170 nan 0.000 0.285 207 I C -1.930 174.049 176.117 -0.230 0.000 1.007 207 I CA -2.658 58.451 61.300 -0.318 0.000 1.142 207 I CB 0.381 38.129 38.000 -0.422 0.000 1.289 207 I HN 0.934 9.067 8.210 -0.130 0.000 0.453 208 D N 7.240 127.516 120.400 -0.207 0.000 2.498 208 D HA 0.452 nan 4.640 nan 0.000 0.247 208 D C -0.360 175.867 176.300 -0.120 0.000 1.070 208 D CA -1.664 52.262 54.000 -0.124 0.000 0.842 208 D CB 3.433 44.190 40.800 -0.073 0.000 1.361 208 D HN 0.605 8.731 8.370 -0.229 0.107 0.484 209 E N 4.317 124.466 120.200 -0.085 0.000 2.511 209 E HA 0.305 nan 4.350 nan 0.000 0.209 209 E C 2.134 178.715 176.600 -0.031 0.000 0.986 209 E CA 0.022 56.388 56.400 -0.055 0.000 0.974 209 E CB 0.742 30.412 29.700 -0.051 0.000 1.030 209 E HN 0.668 8.879 8.360 -0.079 0.102 0.490 210 V N 0.334 120.229 119.914 -0.031 0.000 3.461 210 V HA -0.233 nan 4.120 nan 0.000 0.267 210 V C 0.126 176.212 176.094 -0.013 0.000 1.186 210 V CA 2.983 65.271 62.300 -0.021 0.000 1.154 210 V CB -1.328 30.482 31.823 -0.021 0.000 0.802 210 V HN 0.527 9.281 8.190 -0.039 -0.587 0.474 211 D N -3.103 117.290 120.400 -0.011 0.000 2.325 211 D HA -0.026 nan 4.640 nan 0.000 0.225 211 D C 0.983 177.284 176.300 0.001 0.000 1.096 211 D CA -0.641 53.357 54.000 -0.003 0.000 0.844 211 D CB -1.147 39.653 40.800 0.001 0.000 0.925 211 D HN -0.451 7.875 8.370 -0.016 0.034 0.513 212 G N 0.536 109.336 108.800 -0.001 0.000 2.526 212 G HA2 -0.333 nan 3.960 nan 0.000 0.225 212 G HA3 -0.333 nan 3.960 nan 0.000 0.225 212 G C -0.489 174.417 174.900 0.010 0.000 1.120 212 G CA -0.194 44.908 45.100 0.003 0.000 0.904 212 G HN -0.525 7.600 8.290 -0.006 0.161 0.498 213 E N -3.873 116.330 120.200 0.006 0.000 2.416 213 E HA -0.525 nan 4.350 nan 0.000 0.249 213 E C -1.237 175.390 176.600 0.044 0.000 1.124 213 E CA 0.863 57.272 56.400 0.016 0.000 0.732 213 E CB -1.287 28.426 29.700 0.022 0.000 1.286 213 E HN 0.412 8.632 8.360 -0.005 0.138 0.394 214 K N -2.186 118.236 120.400 0.036 0.000 2.865 214 K HA 0.242 nan 4.320 nan 0.000 0.259 214 K C -2.260 174.376 176.600 0.059 0.000 1.236 214 K CA 0.262 56.597 56.287 0.080 0.000 1.024 214 K CB 1.891 34.438 32.500 0.077 0.000 1.344 214 K HN -0.555 7.874 8.250 0.010 -0.173 0.558 215 T N 4.837 119.405 114.554 0.023 0.000 3.193 215 T HA 0.298 nan 4.350 nan 0.000 0.332 215 T C -2.745 171.931 174.700 -0.041 0.000 1.208 215 T CA 0.291 62.423 62.100 0.053 0.000 1.080 215 T CB 2.697 71.580 68.868 0.025 0.000 1.180 215 T HN 0.742 8.842 8.240 -0.061 0.104 0.469 216 F N 5.777 125.730 119.950 0.004 0.000 2.366 216 F HA 0.545 nan 4.527 nan 0.000 0.366 216 F C -1.335 174.468 175.800 0.006 0.000 1.096 216 F CA -1.192 56.810 58.000 0.004 0.000 1.060 216 F CB 1.618 40.619 39.000 0.002 0.000 1.282 216 F HN 0.363 8.893 8.300 0.384 0.000 0.450 217 E N 5.158 125.427 120.200 0.114 0.000 2.288 217 E HA 0.416 nan 4.350 nan 0.000 0.268 217 E C -2.028 174.611 176.600 0.065 0.000 0.885 217 E CA -1.944 54.504 56.400 0.080 0.000 0.767 217 E CB 4.493 34.221 29.700 0.046 0.000 1.220 217 E HN 0.646 9.035 8.360 0.048 0.000 0.427 218 V N 5.082 125.033 119.914 0.062 0.000 2.383 218 V HA 0.290 nan 4.120 nan 0.000 0.275 218 V C -0.391 175.732 176.094 0.048 0.000 1.036 218 V CA 0.359 62.692 62.300 0.055 0.000 0.889 218 V CB -0.351 31.507 31.823 0.058 0.000 0.985 218 V HN 0.601 8.829 8.190 0.063 0.000 0.459 219 L N 9.189 130.438 121.223 0.044 0.000 2.200 219 L HA 0.310 nan 4.340 nan 0.000 0.200 219 L C -0.740 176.157 176.870 0.046 0.000 1.072 219 L CA 1.027 55.891 54.840 0.041 0.000 0.787 219 L CB 1.563 43.644 42.059 0.036 0.000 0.957 219 L HN 0.807 8.958 8.230 0.045 0.107 0.459 220 A N -4.331 118.520 122.820 0.052 0.000 2.540 220 A HA 0.254 nan 4.320 nan 0.000 0.297 220 A C -2.617 175.000 177.584 0.054 0.000 1.056 220 A CA 0.450 52.519 52.037 0.054 0.000 0.700 220 A CB 2.826 21.861 19.000 0.059 0.000 1.280 220 A HN -0.250 7.932 8.150 0.053 0.000 0.398 221 T N 2.580 117.162 114.554 0.047 0.000 2.900 221 T HA 0.709 nan 4.350 nan 0.000 0.295 221 T C -1.366 173.332 174.700 -0.002 0.000 1.044 221 T CA -0.495 61.626 62.100 0.034 0.000 0.995 221 T CB 2.956 71.870 68.868 0.075 0.000 1.072 221 T HN 0.003 8.269 8.240 0.043 0.000 0.473 222 N N 1.638 120.316 118.700 -0.036 0.000 2.927 222 N HA 0.403 nan 4.740 nan 0.000 0.248 222 N C -2.524 172.916 175.510 -0.118 0.000 1.443 222 N CA -0.155 52.855 53.050 -0.066 0.000 0.870 222 N CB 3.628 42.115 38.487 0.001 0.000 1.444 222 N HN 0.854 9.206 8.380 -0.048 0.000 0.519 223 G N -1.631 107.120 108.800 -0.082 0.000 2.349 223 G HA2 0.110 nan 3.960 nan 0.000 0.294 223 G HA3 0.110 nan 3.960 nan 0.000 0.294 223 G C -2.860 172.076 174.900 0.060 0.000 1.380 223 G CA 0.842 45.894 45.100 -0.080 0.000 0.811 223 G HN -0.060 8.215 8.290 -0.026 0.000 0.519 224 D N -3.548 116.936 120.400 0.140 0.000 2.609 224 D HA 0.305 nan 4.640 nan 0.000 0.239 224 D C -0.119 176.222 176.300 0.068 0.000 1.229 224 D CA -1.437 52.628 54.000 0.108 0.000 0.808 224 D CB 3.116 43.990 40.800 0.124 0.000 1.448 224 D HN 0.103 8.497 8.370 0.212 0.103 0.433 225 T N 1.962 116.531 114.554 0.025 0.000 3.033 225 T HA 0.065 nan 4.350 nan 0.000 0.248 225 T C 0.038 174.554 174.700 -0.307 0.000 1.040 225 T CA 1.708 63.765 62.100 -0.072 0.000 1.133 225 T CB 0.529 69.413 68.868 0.026 0.000 0.895 225 T HN 0.218 8.492 8.240 0.056 0.000 0.465 226 H N 0.917 120.007 119.070 0.035 0.000 2.514 226 H HA 0.223 nan 4.556 nan 0.000 0.226 226 H C -1.944 173.380 175.328 -0.006 0.000 1.421 226 H CA -0.411 55.651 56.048 0.023 0.000 1.394 226 H CB 0.617 30.387 29.762 0.014 0.000 1.701 226 H HN -0.209 8.424 8.280 0.105 -0.291 0.515 227 L N -0.421 120.824 121.223 0.035 0.000 2.346 227 L HA 0.124 nan 4.340 nan 0.000 0.274 227 L C -0.418 176.405 176.870 -0.078 0.000 1.007 227 L CA -0.178 54.635 54.840 -0.046 0.000 0.818 227 L CB 2.257 44.272 42.059 -0.073 0.000 1.284 227 L HN -0.311 7.932 8.230 0.022 0.000 0.424 228 G N 3.149 111.836 108.800 -0.188 0.000 2.553 228 G HA2 -0.380 nan 3.960 nan 0.000 0.242 228 G HA3 -0.380 nan 3.960 nan 0.000 0.242 228 G C -0.052 174.809 174.900 -0.064 0.000 1.277 228 G CA -0.640 44.331 45.100 -0.215 0.000 0.910 228 G HN 0.345 8.497 8.290 -0.231 0.000 0.576 229 G N 0.703 109.539 108.800 0.060 0.000 3.133 229 G HA2 -0.573 nan 3.960 nan 0.000 0.357 229 G HA3 -0.573 nan 3.960 nan 0.000 0.357 229 G C 0.524 175.503 174.900 0.131 0.000 1.229 229 G CA 1.732 46.900 45.100 0.114 0.000 1.018 229 G HN 0.292 8.649 8.290 0.112 0.000 0.635 230 E N 4.397 124.657 120.200 0.101 0.000 2.150 230 E HA -0.183 nan 4.350 nan 0.000 0.193 230 E C 1.799 178.461 176.600 0.103 0.000 0.985 230 E CA 2.543 59.006 56.400 0.106 0.000 0.814 230 E CB -0.307 29.467 29.700 0.124 0.000 0.752 230 E HN -0.141 8.245 8.360 0.084 0.025 0.466 231 D N -1.603 118.856 120.400 0.097 0.000 2.354 231 D HA -0.033 nan 4.640 nan 0.000 0.209 231 D C 0.324 176.748 176.300 0.207 0.000 1.015 231 D CA 1.923 55.984 54.000 0.102 0.000 0.867 231 D CB 0.412 41.242 40.800 0.050 0.000 0.933 231 D HN -0.527 7.863 8.370 0.077 0.027 0.520 232 F N 0.811 120.769 119.950 0.014 0.000 2.315 232 F HA 0.089 nan 4.527 nan 0.000 0.284 232 F C 1.843 177.652 175.800 0.015 0.000 1.049 232 F CA 1.433 59.438 58.000 0.008 0.000 1.323 232 F CB 1.501 40.503 39.000 0.004 0.000 1.113 232 F HN -0.155 8.148 8.300 0.283 0.167 0.544 233 D N 0.133 120.658 120.400 0.209 0.000 2.219 233 D HA -0.182 nan 4.640 nan 0.000 0.205 233 D C 2.321 178.666 176.300 0.076 0.000 0.970 233 D CA 3.755 57.816 54.000 0.102 0.000 0.851 233 D CB -0.878 39.982 40.800 0.100 0.000 0.943 233 D HN 0.867 9.260 8.370 0.228 0.115 0.488 234 S N -0.204 115.552 115.700 0.094 0.000 2.442 234 S HA -0.161 nan 4.470 nan 0.000 0.236 234 S C 2.025 176.665 174.600 0.067 0.000 1.007 234 S CA 3.044 61.288 58.200 0.073 0.000 0.965 234 S CB -0.491 62.753 63.200 0.074 0.000 0.773 234 S HN -0.246 8.134 8.310 0.119 0.001 0.504 235 R N 0.719 121.257 120.500 0.064 0.000 2.073 235 R HA -0.154 nan 4.340 nan 0.000 0.229 235 R C 2.043 178.372 176.300 0.048 0.000 1.120 235 R CA 1.920 58.045 56.100 0.041 0.000 0.967 235 R CB -0.503 29.795 30.300 -0.003 0.000 0.862 235 R HN -0.130 7.995 8.270 0.072 0.189 0.436 236 L N 0.601 121.839 121.223 0.025 0.000 2.044 236 L HA -0.163 nan 4.340 nan 0.000 0.205 236 L C 1.884 178.817 176.870 0.105 0.000 1.075 236 L CA 2.708 57.582 54.840 0.057 0.000 0.747 236 L CB -0.277 41.784 42.059 0.004 0.000 0.903 236 L HN -0.732 7.419 8.230 0.005 0.082 0.435 237 I N -1.620 118.989 120.570 0.066 0.000 2.151 237 I HA -0.599 nan 4.170 nan 0.000 0.243 237 I C 2.397 178.545 176.117 0.053 0.000 1.080 237 I CA 2.439 63.767 61.300 0.048 0.000 1.339 237 I CB -1.861 36.158 38.000 0.032 0.000 1.039 237 I HN 0.709 8.844 8.210 0.057 0.109 0.409 238 N N -0.696 118.046 118.700 0.069 0.000 2.188 238 N HA -0.288 nan 4.740 nan 0.000 0.184 238 N C 2.384 177.948 175.510 0.089 0.000 1.018 238 N CA 3.180 56.269 53.050 0.065 0.000 0.858 238 N CB 0.072 38.598 38.487 0.064 0.000 0.989 238 N HN -0.672 7.740 8.380 0.075 0.013 0.426 239 Y N 2.234 122.539 120.300 0.008 0.000 2.181 239 Y HA -0.362 nan 4.550 nan 0.000 0.288 239 Y C 1.629 177.545 175.900 0.028 0.000 1.146 239 Y CA 3.714 61.821 58.100 0.012 0.000 1.164 239 Y CB -0.071 38.388 38.460 -0.002 0.000 0.982 239 Y HN -0.560 7.762 8.280 0.232 0.097 0.515 240 L N -2.580 118.645 121.223 0.004 0.000 2.093 240 L HA -0.440 nan 4.340 nan 0.000 0.208 240 L C 2.301 179.133 176.870 -0.063 0.000 1.085 240 L CA 3.171 57.969 54.840 -0.069 0.000 0.755 240 L CB -0.470 41.604 42.059 0.026 0.000 0.904 240 L HN -0.132 8.033 8.230 0.110 0.132 0.435 241 V N 0.378 120.271 119.914 -0.035 0.000 2.237 241 V HA -0.509 nan 4.120 nan 0.000 0.245 241 V C 2.205 178.307 176.094 0.014 0.000 1.046 241 V CA 4.785 67.078 62.300 -0.011 0.000 1.007 241 V CB -0.967 30.850 31.823 -0.010 0.000 0.638 241 V HN 0.104 8.165 8.190 -0.013 0.121 0.445 242 E N -1.955 118.220 120.200 -0.041 0.000 2.204 242 E HA -0.293 nan 4.350 nan 0.000 0.194 242 E C 2.849 179.384 176.600 -0.108 0.000 0.989 242 E CA 2.792 59.165 56.400 -0.045 0.000 0.824 242 E CB -0.842 28.844 29.700 -0.023 0.000 0.756 242 E HN 0.005 8.218 8.360 -0.069 0.106 0.477 243 E N 0.610 120.653 120.200 -0.261 0.000 2.072 243 E HA -0.248 nan 4.350 nan 0.000 0.191 243 E C 1.984 178.531 176.600 -0.090 0.000 0.985 243 E CA 2.980 59.213 56.400 -0.278 0.000 0.801 243 E CB -0.283 29.111 29.700 -0.510 0.000 0.750 243 E HN 0.179 8.226 8.360 -0.325 0.117 0.452 244 F N 0.616 120.473 119.950 -0.156 0.000 2.134 244 F HA -0.343 nan 4.527 nan 0.000 0.299 244 F C 1.528 177.286 175.800 -0.071 0.000 1.097 244 F CA 3.354 61.298 58.000 -0.093 0.000 1.264 244 F CB 0.400 39.358 39.000 -0.071 0.000 1.001 244 F HN -0.379 7.988 8.300 0.111 0.000 0.479 245 K N -0.971 119.526 120.400 0.161 0.000 2.097 245 K HA -0.406 nan 4.320 nan 0.000 0.206 245 K C 2.679 179.256 176.600 -0.038 0.000 1.049 245 K CA 3.406 59.739 56.287 0.076 0.000 0.933 245 K CB -0.265 32.277 32.500 0.070 0.000 0.717 245 K HN 0.570 8.813 8.250 0.170 0.109 0.442 246 K N -1.212 119.152 120.400 -0.059 0.000 2.007 246 K HA -0.209 nan 4.320 nan 0.000 0.206 246 K C 1.487 178.019 176.600 -0.114 0.000 1.047 246 K CA 2.807 59.049 56.287 -0.074 0.000 0.937 246 K CB -0.123 32.336 32.500 -0.068 0.000 0.718 246 K HN -0.525 7.603 8.250 -0.051 0.092 0.438 247 D N -1.331 118.971 120.400 -0.163 0.000 2.123 247 D HA -0.085 nan 4.640 nan 0.000 0.200 247 D C 1.688 177.827 176.300 -0.268 0.000 0.976 247 D CA 2.652 56.535 54.000 -0.194 0.000 0.831 247 D CB 0.598 41.278 40.800 -0.200 0.000 0.974 247 D HN -0.089 7.988 8.370 -0.172 0.189 0.469 248 Q N -3.919 115.616 119.800 -0.441 0.000 2.189 248 Q HA 0.207 nan 4.340 nan 0.000 0.223 248 Q C 0.001 175.807 176.000 -0.325 0.000 0.828 248 Q CA -0.395 55.100 55.803 -0.515 0.000 0.967 248 Q CB 1.557 29.687 28.738 -1.013 0.000 1.139 248 Q HN 0.265 8.158 8.270 -0.450 0.107 0.497 249 G N -0.501 108.179 108.800 -0.201 0.000 2.179 249 G HA2 -0.421 nan 3.960 nan 0.000 0.257 249 G HA3 -0.421 nan 3.960 nan 0.000 0.257 249 G C -0.867 174.020 174.900 -0.022 0.000 1.010 249 G CA 0.978 46.026 45.100 -0.087 0.000 0.736 249 G HN -0.390 7.669 8.290 -0.205 0.108 0.513 250 I N -1.517 119.075 120.570 0.036 0.000 2.722 250 I HA 0.139 nan 4.170 nan 0.000 0.295 250 I C -1.882 174.389 176.117 0.257 0.000 1.161 250 I CA -2.090 59.301 61.300 0.152 0.000 1.032 250 I CB 3.639 41.765 38.000 0.211 0.000 1.244 250 I HN -0.610 7.588 8.210 0.011 0.019 0.421 251 D N 2.452 122.942 120.400 0.150 0.000 2.340 251 D HA 0.107 nan 4.640 nan 0.000 0.251 251 D C -0.951 175.376 176.300 0.046 0.000 1.080 251 D CA -0.240 53.821 54.000 0.102 0.000 0.971 251 D CB 1.432 42.265 40.800 0.055 0.000 1.137 251 D HN -0.020 8.413 8.370 0.104 0.000 0.475 252 L N -0.065 121.144 121.223 -0.023 0.000 2.803 252 L HA 0.198 nan 4.340 nan 0.000 0.246 252 L C 1.381 178.222 176.870 -0.048 0.000 1.100 252 L CA 0.603 55.389 54.840 -0.090 0.000 0.919 252 L CB 1.455 43.395 42.059 -0.199 0.000 1.285 252 L HN 0.094 8.318 8.230 -0.010 0.000 0.522 253 R N 0.534 121.021 120.500 -0.021 0.000 2.237 253 R HA -0.267 nan 4.340 nan 0.000 0.219 253 R C 0.382 176.679 176.300 -0.004 0.000 1.080 253 R CA 2.436 58.530 56.100 -0.010 0.000 0.995 253 R CB -0.385 29.916 30.300 0.001 0.000 0.875 253 R HN 0.384 9.326 8.270 -0.007 -0.677 0.462 254 N N -1.702 116.996 118.700 -0.002 0.000 2.446 254 N HA -0.104 nan 4.740 nan 0.000 0.179 254 N C -1.079 174.431 175.510 -0.001 0.000 1.054 254 N CA 0.784 53.836 53.050 0.003 0.000 0.905 254 N CB 0.223 38.716 38.487 0.010 0.000 0.973 254 N HN -0.295 8.138 8.380 -0.002 -0.054 0.448 255 D N -0.320 120.073 120.400 -0.012 0.000 2.392 255 D HA 0.425 nan 4.640 nan 0.000 0.228 255 D C -1.354 174.936 176.300 -0.016 0.000 1.074 255 D CA -2.966 51.026 54.000 -0.014 0.000 0.838 255 D CB 1.889 42.672 40.800 -0.028 0.000 1.067 255 D HN -0.093 8.087 8.370 -0.022 0.177 0.511 256 P HA -0.062 nan 4.420 nan 0.000 0.223 256 P C 0.470 177.764 177.300 -0.009 0.000 1.151 256 P CA 1.519 64.617 63.100 -0.003 0.000 0.787 256 P CB 0.513 32.216 31.700 0.006 0.000 0.788 257 L N -1.790 119.426 121.223 -0.011 0.000 2.168 257 L HA -0.046 nan 4.340 nan 0.000 0.203 257 L C 1.115 177.970 176.870 -0.025 0.000 1.078 257 L CA 2.211 57.043 54.840 -0.012 0.000 0.780 257 L CB -0.003 42.053 42.059 -0.005 0.000 0.939 257 L HN 0.202 8.669 8.230 -0.011 -0.244 0.451 258 A N -0.141 122.656 122.820 -0.039 0.000 1.933 258 A HA -0.320 nan 4.320 nan 0.000 0.218 258 A C 2.237 179.780 177.584 -0.069 0.000 1.175 258 A CA 3.204 55.199 52.037 -0.070 0.000 0.628 258 A CB -0.576 18.356 19.000 -0.114 0.000 0.814 258 A HN 0.856 9.580 8.150 -0.034 -0.595 0.444 259 M N -2.018 117.552 119.600 -0.050 0.000 2.086 259 M HA -0.369 nan 4.480 nan 0.000 0.261 259 M C 2.306 178.590 176.300 -0.026 0.000 1.067 259 M CA 2.970 58.248 55.300 -0.037 0.000 1.116 259 M CB -1.261 31.327 32.600 -0.021 0.000 1.348 259 M HN 0.018 8.281 8.290 -0.046 0.000 0.407 260 Q N -0.751 119.035 119.800 -0.022 0.000 2.084 260 Q HA -0.298 nan 4.340 nan 0.000 0.202 260 Q C 2.472 178.459 176.000 -0.022 0.000 0.978 260 Q CA 3.393 59.184 55.803 -0.020 0.000 0.844 260 Q CB -0.468 28.258 28.738 -0.021 0.000 0.898 260 Q HN -0.386 7.768 8.270 -0.023 0.102 0.426 261 R N -0.521 119.963 120.500 -0.026 0.000 2.075 261 R HA -0.303 nan 4.340 nan 0.000 0.232 261 R C 2.731 179.015 176.300 -0.026 0.000 1.126 261 R CA 3.316 59.402 56.100 -0.025 0.000 0.963 261 R CB -0.179 30.106 30.300 -0.025 0.000 0.858 261 R HN 0.048 8.117 8.270 -0.030 0.183 0.435 262 L N -0.079 121.120 121.223 -0.039 0.000 2.046 262 L HA -0.309 nan 4.340 nan 0.000 0.208 262 L C 1.098 177.960 176.870 -0.013 0.000 1.077 262 L CA 2.896 57.714 54.840 -0.036 0.000 0.747 262 L CB -0.458 41.565 42.059 -0.059 0.000 0.896 262 L HN 0.318 8.321 8.230 -0.045 0.200 0.432 263 K N -0.666 119.728 120.400 -0.010 0.000 1.978 263 K HA -0.505 nan 4.320 nan 0.000 0.214 263 K C 1.922 178.525 176.600 0.006 0.000 1.049 263 K CA 4.012 60.301 56.287 0.004 0.000 0.939 263 K CB -0.326 32.176 32.500 0.003 0.000 0.721 263 K HN 0.402 8.528 8.250 -0.016 0.115 0.441 264 E N -1.563 118.635 120.200 -0.003 0.000 2.085 264 E HA -0.339 nan 4.350 nan 0.000 0.194 264 E C 2.558 179.160 176.600 0.004 0.000 0.994 264 E CA 2.814 59.213 56.400 -0.001 0.000 0.801 264 E CB -0.127 29.567 29.700 -0.009 0.000 0.743 264 E HN -0.329 8.026 8.360 -0.010 0.000 0.453 265 A N -1.263 121.558 122.820 0.001 0.000 1.897 265 A HA -0.142 nan 4.320 nan 0.000 0.215 265 A C 1.939 179.530 177.584 0.012 0.000 1.181 265 A CA 2.889 54.929 52.037 0.005 0.000 0.620 265 A CB -0.763 18.237 19.000 -0.000 0.000 0.821 265 A HN -0.036 7.993 8.150 -0.004 0.119 0.443 266 A N -1.563 121.265 122.820 0.014 0.000 1.968 266 A HA -0.225 nan 4.320 nan 0.000 0.217 266 A C 2.158 179.756 177.584 0.024 0.000 1.169 266 A CA 2.915 54.965 52.037 0.022 0.000 0.638 266 A CB -0.689 18.327 19.000 0.027 0.000 0.812 266 A HN 0.396 8.454 8.150 0.010 0.097 0.446 267 E N -1.804 118.411 120.200 0.026 0.000 2.150 267 E HA -0.386 nan 4.350 nan 0.000 0.193 267 E C 2.342 178.961 176.600 0.032 0.000 0.985 267 E CA 2.997 59.418 56.400 0.035 0.000 0.814 267 E CB -0.213 29.509 29.700 0.037 0.000 0.752 267 E HN 0.301 8.675 8.360 0.023 0.000 0.466 268 K N -0.604 119.811 120.400 0.024 0.000 2.025 268 K HA -0.242 nan 4.320 nan 0.000 0.207 268 K C 2.005 178.618 176.600 0.022 0.000 1.049 268 K CA 2.669 58.969 56.287 0.023 0.000 0.933 268 K CB 0.043 32.553 32.500 0.017 0.000 0.714 268 K HN -0.721 7.413 8.250 0.020 0.127 0.438 269 A N -1.261 121.570 122.820 0.020 0.000 1.908 269 A HA -0.295 nan 4.320 nan 0.000 0.218 269 A C 1.866 179.458 177.584 0.012 0.000 1.181 269 A CA 3.102 55.149 52.037 0.018 0.000 0.627 269 A CB -0.831 18.182 19.000 0.021 0.000 0.818 269 A HN -0.074 8.088 8.150 0.019 0.000 0.445 270 K N -2.390 118.017 120.400 0.011 0.000 2.103 270 K HA -0.293 nan 4.320 nan 0.000 0.207 270 K C 2.124 178.732 176.600 0.013 0.000 1.048 270 K CA 3.010 59.297 56.287 -0.000 0.000 0.930 270 K CB -0.034 32.467 32.500 0.002 0.000 0.716 270 K HN 0.120 8.270 8.250 0.015 0.109 0.444 271 I N -4.051 116.536 120.570 0.028 0.000 2.676 271 I HA -0.278 nan 4.170 nan 0.000 0.259 271 I C 1.465 177.599 176.117 0.028 0.000 1.194 271 I CA 2.312 63.634 61.300 0.037 0.000 1.473 271 I CB 0.029 38.056 38.000 0.044 0.000 1.096 271 I HN -0.612 7.459 8.210 0.028 0.155 0.443 272 E N -0.382 119.830 120.200 0.020 0.000 2.076 272 E HA -0.168 nan 4.350 nan 0.000 0.190 272 E C 1.891 178.498 176.600 0.011 0.000 0.979 272 E CA 2.488 58.898 56.400 0.016 0.000 0.807 272 E CB 0.340 30.048 29.700 0.014 0.000 0.761 272 E HN -0.629 7.578 8.360 0.018 0.164 0.454 273 L N -3.003 118.222 121.223 0.004 0.000 2.622 273 L HA -0.128 nan 4.340 nan 0.000 0.233 273 L C 0.209 177.075 176.870 -0.007 0.000 1.156 273 L CA 1.420 56.256 54.840 -0.007 0.000 0.866 273 L CB -0.087 41.960 42.059 -0.021 0.000 0.980 273 L HN -0.610 7.533 8.230 0.003 0.089 0.448 274 S N -0.921 114.782 115.700 0.004 0.000 2.481 274 S HA 0.237 nan 4.470 nan 0.000 0.243 274 S C -0.581 174.029 174.600 0.016 0.000 1.152 274 S CA -0.050 58.157 58.200 0.011 0.000 1.168 274 S CB -0.356 62.859 63.200 0.026 0.000 0.835 274 S HN -0.259 8.000 8.310 0.011 0.059 0.474 275 S N -4.203 111.504 115.700 0.011 0.000 2.436 275 S HA 0.099 nan 4.470 nan 0.000 0.207 275 S C -1.766 172.839 174.600 0.009 0.000 0.847 275 S CA 0.825 59.033 58.200 0.013 0.000 1.623 275 S CB 0.743 63.954 63.200 0.018 0.000 1.267 275 S HN -0.182 8.043 8.310 0.007 0.088 0.591 276 A N 0.444 123.268 122.820 0.006 0.000 2.564 276 A HA 0.254 nan 4.320 nan 0.000 0.291 276 A C -1.694 175.890 177.584 -0.000 0.000 1.102 276 A CA -0.174 51.865 52.037 0.004 0.000 0.660 276 A CB 1.152 20.156 19.000 0.006 0.000 1.283 276 A HN -0.705 7.447 8.150 0.004 0.000 0.430 277 Q N -2.798 117.001 119.800 -0.001 0.000 2.250 277 Q HA -0.089 nan 4.340 nan 0.000 0.200 277 Q C -1.095 174.902 176.000 -0.005 0.000 0.941 277 Q CA 1.446 57.246 55.803 -0.004 0.000 0.872 277 Q CB 0.956 29.693 28.738 -0.003 0.000 0.965 277 Q HN 0.555 8.826 8.270 0.002 0.000 0.480 278 Q N -7.234 112.567 119.800 0.001 0.000 2.482 278 Q HA 0.561 nan 4.340 nan 0.000 0.286 278 Q C -1.545 174.461 176.000 0.009 0.000 1.007 278 Q CA -1.037 54.769 55.803 0.005 0.000 0.801 278 Q CB 3.666 32.409 28.738 0.008 0.000 1.455 278 Q HN -0.797 7.474 8.270 0.003 0.000 0.398 279 T N 0.305 114.868 114.554 0.014 0.000 2.840 279 T HA 0.292 nan 4.350 nan 0.000 0.317 279 T C -2.413 172.302 174.700 0.024 0.000 1.401 279 T CA -0.522 61.589 62.100 0.017 0.000 1.028 279 T CB 2.545 71.422 68.868 0.015 0.000 1.317 279 T HN 0.576 8.826 8.240 0.016 0.000 0.495 280 D N 2.839 123.254 120.400 0.024 0.000 2.308 280 D HA 0.667 nan 4.640 nan 0.000 0.242 280 D C -0.214 176.104 176.300 0.030 0.000 1.059 280 D CA -0.811 53.207 54.000 0.030 0.000 0.830 280 D CB 1.825 42.640 40.800 0.026 0.000 1.161 280 D HN 0.157 8.539 8.370 0.020 0.000 0.494 281 V N 6.433 126.371 119.914 0.039 0.000 2.267 281 V HA 0.019 nan 4.120 nan 0.000 0.254 281 V C -1.251 174.864 176.094 0.035 0.000 1.144 281 V CA -1.067 61.255 62.300 0.036 0.000 0.992 281 V CB -0.813 31.037 31.823 0.045 0.000 1.199 281 V HN 1.132 9.232 8.190 0.048 0.118 0.493 282 N N 7.954 126.669 118.700 0.025 0.000 2.426 282 N HA 0.560 nan 4.740 nan 0.000 0.275 282 N C -1.656 173.859 175.510 0.008 0.000 1.019 282 N CA -0.081 52.981 53.050 0.020 0.000 0.941 282 N CB 1.373 39.868 38.487 0.013 0.000 1.123 282 N HN -0.335 8.057 8.380 0.020 0.000 0.486 283 L N 6.314 127.540 121.223 0.005 0.000 2.518 283 L HA 0.461 nan 4.340 nan 0.000 0.262 283 L C -2.479 174.370 176.870 -0.035 0.000 0.982 283 L CA -2.272 52.561 54.840 -0.010 0.000 0.873 283 L CB 3.562 45.612 42.059 -0.016 0.000 1.198 283 L HN 1.030 9.156 8.230 0.020 0.116 0.427 284 P HA 0.155 nan 4.420 nan 0.000 0.279 284 P C -0.977 176.293 177.300 -0.050 0.000 1.239 284 P CA -0.670 62.296 63.100 -0.224 0.000 0.789 284 P CB 0.289 31.881 31.700 -0.180 0.000 0.933 285 Y N -1.413 118.799 120.300 -0.148 0.000 2.970 285 Y HA -0.448 nan 4.550 nan 0.000 0.164 285 Y C -0.541 175.367 175.900 0.012 0.000 1.661 285 Y CA 0.694 58.799 58.100 0.008 0.000 0.895 285 Y CB -1.937 36.517 38.460 -0.010 0.000 1.437 285 Y HN 0.549 8.402 8.280 -0.711 0.000 0.371 286 I N 0.750 121.378 120.570 0.096 0.000 2.628 286 I HA 0.021 nan 4.170 nan 0.000 0.255 286 I C -1.293 174.836 176.117 0.020 0.000 1.119 286 I CA 0.123 61.434 61.300 0.019 0.000 1.448 286 I CB 1.668 39.622 38.000 -0.077 0.000 1.133 286 I HN -0.065 8.211 8.210 0.110 0.000 0.438 287 T N -7.589 107.014 114.554 0.082 0.000 2.769 287 T HA 0.289 nan 4.350 nan 0.000 0.306 287 T C -2.804 171.979 174.700 0.139 0.000 1.400 287 T CA -1.878 60.274 62.100 0.087 0.000 1.007 287 T CB 2.661 71.563 68.868 0.057 0.000 1.392 287 T HN -0.859 7.461 8.240 0.133 0.000 0.500 288 A N 0.814 123.703 122.820 0.115 0.000 2.549 288 A HA 0.863 nan 4.320 nan 0.000 0.297 288 A C -2.175 175.457 177.584 0.079 0.000 1.061 288 A CA -0.342 51.760 52.037 0.108 0.000 0.690 288 A CB 3.174 22.247 19.000 0.122 0.000 1.287 288 A HN 0.147 8.353 8.150 0.093 0.000 0.402 289 D N 0.741 121.179 120.400 0.063 0.000 2.825 289 D HA 0.157 nan 4.640 nan 0.000 0.327 289 D C 0.282 176.601 176.300 0.032 0.000 1.277 289 D CA -0.310 53.718 54.000 0.046 0.000 0.950 289 D CB 1.159 41.987 40.800 0.046 0.000 1.438 289 D HN 0.679 8.970 8.370 0.059 0.115 0.526 290 A N -2.101 120.732 122.820 0.022 0.000 2.121 290 A HA -0.089 nan 4.320 nan 0.000 0.218 290 A C 0.961 178.549 177.584 0.008 0.000 1.154 290 A CA 2.427 54.473 52.037 0.015 0.000 0.679 290 A CB -0.441 18.565 19.000 0.010 0.000 0.795 290 A HN 0.435 8.597 8.150 0.021 0.000 0.458 291 T N -7.281 107.274 114.554 0.003 0.000 3.107 291 T HA 0.125 nan 4.350 nan 0.000 0.249 291 T C 0.806 175.499 174.700 -0.012 0.000 1.096 291 T CA -0.553 61.541 62.100 -0.010 0.000 1.012 291 T CB -0.221 68.633 68.868 -0.024 0.000 0.977 291 T HN 0.261 9.025 8.240 0.006 -0.520 0.527 292 G N 2.040 110.844 108.800 0.008 0.000 2.416 292 G HA2 -0.212 nan 3.960 nan 0.000 0.203 292 G HA3 -0.212 nan 3.960 nan 0.000 0.203 292 G C -3.034 171.887 174.900 0.036 0.000 1.227 292 G CA -0.496 44.615 45.100 0.019 0.000 1.041 292 G HN -0.190 7.935 8.290 0.018 0.176 0.546 293 P HA 0.507 nan 4.420 nan 0.000 0.276 293 P C -1.597 175.697 177.300 -0.010 0.000 1.252 293 P CA -0.717 62.421 63.100 0.064 0.000 0.802 293 P CB 0.690 32.447 31.700 0.094 0.000 1.035 294 K N -0.301 120.149 120.400 0.083 0.000 2.292 294 K HA 0.414 nan 4.320 nan 0.000 0.257 294 K C -0.996 175.736 176.600 0.220 0.000 0.940 294 K CA -1.762 54.594 56.287 0.114 0.000 0.811 294 K CB 3.086 35.755 32.500 0.282 0.000 1.120 294 K HN 0.814 9.025 8.250 0.140 0.123 0.428 295 H N 2.052 121.104 119.070 -0.030 0.000 2.457 295 H HA 0.543 nan 4.556 nan 0.000 0.335 295 H C -0.900 174.478 175.328 0.084 0.000 1.115 295 H CA -1.653 54.365 56.048 -0.050 0.000 1.219 295 H CB 2.313 32.000 29.762 -0.125 0.000 1.471 295 H HN 0.360 8.662 8.280 0.037 0.000 0.491 296 M N 5.019 124.753 119.600 0.223 0.000 2.149 296 M HA 0.192 nan 4.480 nan 0.000 0.342 296 M C -2.251 174.125 176.300 0.127 0.000 1.068 296 M CA -0.884 54.563 55.300 0.245 0.000 0.991 296 M CB 2.278 34.991 32.600 0.189 0.000 1.596 296 M HN 0.622 8.994 8.290 0.136 0.000 0.439 297 N N 6.981 125.748 118.700 0.111 0.000 2.558 297 N HA 0.408 nan 4.740 nan 0.000 0.285 297 N C -1.547 174.001 175.510 0.063 0.000 1.112 297 N CA -0.381 52.710 53.050 0.068 0.000 0.857 297 N CB 1.561 40.078 38.487 0.050 0.000 1.376 297 N HN 0.370 8.818 8.380 0.114 0.000 0.526 298 I N 5.560 126.169 120.570 0.065 0.000 2.433 298 I HA 0.224 nan 4.170 nan 0.000 0.292 298 I C -1.661 174.494 176.117 0.064 0.000 1.001 298 I CA -2.143 59.194 61.300 0.062 0.000 1.119 298 I CB 3.023 41.062 38.000 0.066 0.000 1.289 298 I HN 0.941 9.082 8.210 0.066 0.109 0.438 299 K N 7.009 127.448 120.400 0.064 0.000 2.227 299 K HA 0.372 nan 4.320 nan 0.000 0.280 299 K C -1.467 175.188 176.600 0.092 0.000 1.041 299 K CA -0.260 56.064 56.287 0.062 0.000 0.905 299 K CB 0.801 33.329 32.500 0.046 0.000 1.068 299 K HN 0.202 8.487 8.250 0.059 0.000 0.470 300 V N 6.232 126.189 119.914 0.073 0.000 2.823 300 V HA 0.540 nan 4.120 nan 0.000 0.312 300 V C -1.814 174.293 176.094 0.022 0.000 1.072 300 V CA -1.592 60.748 62.300 0.067 0.000 0.937 300 V CB 4.187 36.054 31.823 0.072 0.000 1.013 300 V HN 0.300 8.522 8.190 0.053 0.000 0.430 301 T N 0.460 115.010 114.554 -0.007 0.000 2.916 301 T HA 0.651 nan 4.350 nan 0.000 0.292 301 T C 0.271 174.944 174.700 -0.045 0.000 1.064 301 T CA -2.052 60.036 62.100 -0.020 0.000 1.011 301 T CB 3.541 72.397 68.868 -0.019 0.000 1.152 301 T HN -0.249 7.975 8.240 -0.026 0.000 0.510 302 R N 2.376 122.853 120.500 -0.038 0.000 2.096 302 R HA -0.358 nan 4.340 nan 0.000 0.235 302 R C 1.135 177.395 176.300 -0.066 0.000 1.127 302 R CA 3.889 59.959 56.100 -0.050 0.000 0.968 302 R CB -0.085 30.196 30.300 -0.033 0.000 0.861 302 R HN 0.714 8.881 8.270 -0.027 0.087 0.440 303 A N -1.564 121.222 122.820 -0.056 0.000 1.930 303 A HA -0.168 nan 4.320 nan 0.000 0.217 303 A C 2.519 180.047 177.584 -0.092 0.000 1.175 303 A CA 3.051 55.051 52.037 -0.061 0.000 0.627 303 A CB -0.970 18.005 19.000 -0.042 0.000 0.815 303 A HN 0.383 8.494 8.150 -0.044 0.013 0.443 304 K N -1.904 118.427 120.400 -0.115 0.000 2.103 304 K HA -0.219 nan 4.320 nan 0.000 0.204 304 K C 1.646 178.095 176.600 -0.251 0.000 1.052 304 K CA 1.970 58.139 56.287 -0.197 0.000 0.945 304 K CB -0.114 32.246 32.500 -0.233 0.000 0.722 304 K HN -0.406 7.787 8.250 -0.096 0.000 0.443 305 L N -1.274 119.831 121.223 -0.197 0.000 1.994 305 L HA -0.278 nan 4.340 nan 0.000 0.208 305 L C 2.111 178.860 176.870 -0.201 0.000 1.071 305 L CA 2.868 57.585 54.840 -0.204 0.000 0.745 305 L CB 0.121 42.089 42.059 -0.153 0.000 0.892 305 L HN 0.038 8.178 8.230 -0.151 0.000 0.431 306 E N -0.605 119.506 120.200 -0.147 0.000 2.171 306 E HA -0.389 nan 4.350 nan 0.000 0.197 306 E C 1.541 178.070 176.600 -0.119 0.000 0.997 306 E CA 3.066 59.393 56.400 -0.122 0.000 0.810 306 E CB -0.286 29.368 29.700 -0.076 0.000 0.738 306 E HN 0.632 8.797 8.360 -0.121 0.122 0.467 307 S N -2.734 112.889 115.700 -0.128 0.000 2.631 307 S HA 0.003 nan 4.470 nan 0.000 0.217 307 S C 0.603 175.123 174.600 -0.134 0.000 0.958 307 S CA 1.206 59.339 58.200 -0.113 0.000 0.920 307 S CB 0.041 63.179 63.200 -0.103 0.000 0.776 307 S HN -0.522 7.702 8.310 -0.136 0.004 0.517 308 L N 0.130 121.245 121.223 -0.181 0.000 2.537 308 L HA 0.171 nan 4.340 nan 0.000 0.224 308 L C 0.799 177.568 176.870 -0.169 0.000 1.065 308 L CA 1.011 55.746 54.840 -0.174 0.000 0.860 308 L CB 1.826 43.750 42.059 -0.224 0.000 1.086 308 L HN 0.231 8.157 8.230 -0.210 0.178 0.482 309 V N -6.148 113.611 119.914 -0.259 0.000 2.852 309 V HA 0.368 nan 4.120 nan 0.000 0.359 309 V C -0.958 175.088 176.094 -0.081 0.000 1.244 309 V CA -2.034 59.993 62.300 -0.456 0.000 1.371 309 V CB -0.290 30.860 31.823 -1.122 0.000 1.491 309 V HN -0.591 7.453 8.190 -0.243 0.000 0.603 310 E N 1.978 122.205 120.200 0.046 0.000 1.861 310 E HA 0.194 nan 4.350 nan 0.000 0.263 310 E C -1.237 175.468 176.600 0.174 0.000 1.137 310 E CA 0.174 56.637 56.400 0.106 0.000 0.944 310 E CB -0.528 29.194 29.700 0.037 0.000 1.092 310 E HN -0.039 8.318 8.360 -0.006 0.000 0.420 311 D N 4.697 125.270 120.400 0.289 0.000 2.035 311 D HA -0.109 nan 4.640 nan 0.000 0.054 311 D C 0.077 176.318 176.300 -0.099 0.000 1.433 311 D CA 0.797 54.864 54.000 0.111 0.000 0.989 311 D CB -0.005 40.857 40.800 0.102 0.000 2.958 311 D HN -0.303 8.329 8.370 0.437 0.000 0.194 312 L N 0.417 121.295 121.223 -0.576 0.000 2.456 312 L HA -0.158 nan 4.340 nan 0.000 0.224 312 L C 1.389 177.891 176.870 -0.614 0.000 1.148 312 L CA 2.193 56.577 54.840 -0.760 0.000 0.825 312 L CB -0.220 41.159 42.059 -1.134 0.000 0.937 312 L HN 0.054 7.703 8.230 -0.967 0.000 0.450 313 V N -1.403 118.247 119.914 -0.440 0.000 2.515 313 V HA -0.341 nan 4.120 nan 0.000 0.250 313 V C 2.556 178.541 176.094 -0.181 0.000 1.058 313 V CA 3.501 65.684 62.300 -0.195 0.000 1.064 313 V CB -0.955 30.877 31.823 0.016 0.000 0.675 313 V HN -0.181 7.740 8.190 -0.447 0.000 0.461 314 N N 0.047 118.649 118.700 -0.162 0.000 2.244 314 N HA -0.233 nan 4.740 nan 0.000 0.183 314 N C 1.607 176.994 175.510 -0.204 0.000 1.016 314 N CA 3.561 56.517 53.050 -0.156 0.000 0.866 314 N CB -0.316 38.106 38.487 -0.108 0.000 0.980 314 N HN 0.231 8.534 8.380 -0.128 0.000 0.430 315 R N -1.405 118.951 120.500 -0.239 0.000 2.285 315 R HA -0.123 nan 4.340 nan 0.000 0.213 315 R C 0.888 176.982 176.300 -0.344 0.000 1.068 315 R CA 2.133 58.084 56.100 -0.249 0.000 1.004 315 R CB -0.084 30.068 30.300 -0.246 0.000 0.873 315 R HN -0.070 7.933 8.270 -0.262 0.109 0.467 316 S N -2.442 113.007 115.700 -0.419 0.000 2.535 316 S HA 0.037 nan 4.470 nan 0.000 0.214 316 S C 0.972 175.453 174.600 -0.199 0.000 0.980 316 S CA 1.553 59.396 58.200 -0.596 0.000 0.907 316 S CB 0.356 63.168 63.200 -0.648 0.000 0.790 316 S HN -0.121 7.797 8.310 -0.343 0.187 0.510 317 I N 0.617 121.051 120.570 -0.227 0.000 3.708 317 I HA 0.199 nan 4.170 nan 0.000 0.302 317 I C 1.640 177.530 176.117 -0.379 0.000 1.255 317 I CA -0.188 60.890 61.300 -0.371 0.000 1.362 317 I CB -0.253 37.467 38.000 -0.467 0.000 1.100 317 I HN 0.045 7.951 8.210 -0.246 0.157 0.434 318 E N 0.415 120.478 120.200 -0.228 0.000 2.015 318 E HA -0.053 nan 4.350 nan 0.000 0.191 318 E C 0.421 176.977 176.600 -0.073 0.000 0.991 318 E CA 4.018 60.328 56.400 -0.149 0.000 0.802 318 E CB -2.459 27.172 29.700 -0.114 0.000 0.759 318 E HN -0.004 8.228 8.360 -0.213 0.000 0.447 319 P HA -0.043 nan 4.420 nan 0.000 0.226 319 P C 0.543 177.909 177.300 0.109 0.000 1.153 319 P CA 1.880 65.020 63.100 0.067 0.000 0.777 319 P CB -0.629 31.159 31.700 0.146 0.000 0.794 320 L N -3.061 118.217 121.223 0.092 0.000 2.362 320 L HA -0.202 nan 4.340 nan 0.000 0.219 320 L C 0.985 177.934 176.870 0.133 0.000 1.134 320 L CA 1.945 56.870 54.840 0.141 0.000 0.807 320 L CB -0.371 41.716 42.059 0.047 0.000 0.927 320 L HN 0.007 8.133 8.230 0.021 0.118 0.447 321 K N -1.298 119.123 120.400 0.036 0.000 2.044 321 K HA -0.216 nan 4.320 nan 0.000 0.204 321 K C 1.805 178.464 176.600 0.098 0.000 1.049 321 K CA 3.276 59.625 56.287 0.103 0.000 0.945 321 K CB 0.100 32.627 32.500 0.045 0.000 0.724 321 K HN -0.142 7.930 8.250 -0.047 0.150 0.440 322 V N -3.030 116.924 119.914 0.067 0.000 2.427 322 V HA -0.158 nan 4.120 nan 0.000 0.248 322 V C 1.542 177.680 176.094 0.074 0.000 1.051 322 V CA 3.031 65.366 62.300 0.058 0.000 1.048 322 V CB -1.450 30.396 31.823 0.037 0.000 0.666 322 V HN -0.535 7.570 8.190 0.058 0.120 0.456 323 A N -0.464 122.415 122.820 0.100 0.000 2.070 323 A HA -0.193 nan 4.320 nan 0.000 0.220 323 A C 1.441 179.098 177.584 0.122 0.000 1.159 323 A CA 3.003 55.106 52.037 0.111 0.000 0.656 323 A CB -0.651 18.435 19.000 0.144 0.000 0.800 323 A HN 0.194 8.408 8.150 0.107 0.000 0.453 324 L N -3.277 118.029 121.223 0.137 0.000 2.221 324 L HA -0.157 nan 4.340 nan 0.000 0.202 324 L C 2.094 179.013 176.870 0.082 0.000 1.074 324 L CA 2.153 57.066 54.840 0.122 0.000 0.795 324 L CB 0.450 42.592 42.059 0.137 0.000 0.960 324 L HN -0.697 7.491 8.230 0.148 0.131 0.458 325 Q N -0.188 119.657 119.800 0.075 0.000 2.124 325 Q HA -0.358 nan 4.340 nan 0.000 0.202 325 Q C 2.150 178.176 176.000 0.043 0.000 0.977 325 Q CA 3.113 58.947 55.803 0.053 0.000 0.850 325 Q CB -0.096 28.670 28.738 0.047 0.000 0.901 325 Q HN 0.520 8.668 8.270 0.087 0.174 0.429 326 D N -0.692 119.736 120.400 0.046 0.000 2.149 326 D HA -0.125 nan 4.640 nan 0.000 0.201 326 D C 0.914 177.237 176.300 0.038 0.000 0.972 326 D CA 2.151 56.174 54.000 0.038 0.000 0.835 326 D CB -0.276 40.547 40.800 0.037 0.000 0.966 326 D HN 0.421 8.703 8.370 0.053 0.119 0.476 327 A N -2.271 120.578 122.820 0.048 0.000 1.970 327 A HA 0.013 nan 4.320 nan 0.000 0.216 327 A C 0.857 178.464 177.584 0.037 0.000 1.170 327 A CA 0.573 52.637 52.037 0.045 0.000 0.645 327 A CB 0.552 19.587 19.000 0.057 0.000 0.816 327 A HN -0.382 7.709 8.150 0.058 0.094 0.447 328 G N -2.338 106.485 108.800 0.038 0.000 2.142 328 G HA2 -0.338 nan 3.960 nan 0.000 0.225 328 G HA3 -0.338 nan 3.960 nan 0.000 0.225 328 G C -0.701 174.215 174.900 0.027 0.000 1.015 328 G CA 0.095 45.213 45.100 0.029 0.000 0.716 328 G HN 0.023 8.239 8.290 0.044 0.100 0.508 329 L N -1.727 119.518 121.223 0.036 0.000 2.313 329 L HA 0.609 nan 4.340 nan 0.000 0.268 329 L C -1.712 175.175 176.870 0.027 0.000 1.010 329 L CA -1.159 53.702 54.840 0.034 0.000 0.814 329 L CB 2.378 44.466 42.059 0.049 0.000 1.304 329 L HN -0.687 7.572 8.230 0.048 0.000 0.441 330 S N -0.196 115.512 115.700 0.013 0.000 2.681 330 S HA 0.395 nan 4.470 nan 0.000 0.299 330 S C 1.304 175.902 174.600 -0.004 0.000 1.113 330 S CA -1.819 56.370 58.200 -0.018 0.000 1.013 330 S CB 2.753 65.934 63.200 -0.032 0.000 1.076 330 S HN 0.755 9.754 8.310 0.013 -0.682 0.534 331 V N -1.615 118.250 119.914 -0.083 0.000 2.913 331 V HA 0.024 nan 4.120 nan 0.000 0.260 331 V C 0.827 176.957 176.094 0.059 0.000 1.098 331 V CA 2.178 64.454 62.300 -0.040 0.000 1.121 331 V CB -0.552 31.057 31.823 -0.356 0.000 0.714 331 V HN 0.491 8.583 8.190 -0.163 0.000 0.487 332 S N -1.167 114.532 115.700 -0.002 0.000 2.496 332 S HA 0.088 nan 4.470 nan 0.000 0.224 332 S C 0.925 175.531 174.600 0.010 0.000 0.996 332 S CA 1.954 60.155 58.200 0.003 0.000 0.927 332 S CB -0.225 62.966 63.200 -0.016 0.000 0.774 332 S HN 0.147 8.412 8.310 -0.031 0.027 0.524 333 D N -0.151 120.261 120.400 0.019 0.000 2.323 333 D HA -0.023 nan 4.640 nan 0.000 0.209 333 D C -0.346 175.958 176.300 0.008 0.000 0.973 333 D CA 0.990 54.997 54.000 0.011 0.000 0.874 333 D CB 0.477 41.286 40.800 0.016 0.000 0.930 333 D HN 0.221 8.437 8.370 0.033 0.173 0.521 334 I N -0.876 119.708 120.570 0.023 0.000 2.416 334 I HA -0.060 nan 4.170 nan 0.000 0.288 334 I C 0.068 176.156 176.117 -0.048 0.000 1.051 334 I CA -1.426 59.864 61.300 -0.017 0.000 1.375 334 I CB 0.000 37.987 38.000 -0.022 0.000 1.407 334 I HN -0.842 7.370 8.210 0.058 0.033 0.516 335 D N 7.558 127.917 120.400 -0.068 0.000 2.110 335 D HA -0.064 nan 4.640 nan 0.000 0.202 335 D C -0.065 176.172 176.300 -0.104 0.000 0.975 335 D CA 2.678 56.637 54.000 -0.069 0.000 0.839 335 D CB 1.127 41.890 40.800 -0.061 0.000 0.996 335 D HN 0.886 9.103 8.370 -0.073 0.109 0.464 336 D N -1.455 118.860 120.400 -0.141 0.000 2.502 336 D HA 0.266 nan 4.640 nan 0.000 0.249 336 D C -2.382 173.753 176.300 -0.276 0.000 1.092 336 D CA -0.489 53.404 54.000 -0.178 0.000 0.839 336 D CB 3.002 43.719 40.800 -0.138 0.000 1.264 336 D HN -0.605 7.684 8.370 -0.135 0.000 0.511 337 V N 4.368 124.075 119.914 -0.344 0.000 2.347 337 V HA 0.826 nan 4.120 nan 0.000 0.280 337 V C -1.813 174.108 176.094 -0.288 0.000 1.021 337 V CA -1.995 60.047 62.300 -0.429 0.000 0.847 337 V CB 1.382 32.771 31.823 -0.722 0.000 0.990 337 V HN 0.521 8.531 8.190 -0.300 0.000 0.444 338 I N 4.988 125.419 120.570 -0.233 0.000 2.530 338 I HA 0.941 nan 4.170 nan 0.000 0.297 338 I C -2.015 174.047 176.117 -0.092 0.000 1.011 338 I CA -2.206 58.916 61.300 -0.297 0.000 1.107 338 I CB 3.020 40.798 38.000 -0.370 0.000 1.285 338 I HN 1.090 9.089 8.210 -0.176 0.106 0.436 339 L N 5.242 126.412 121.223 -0.090 0.000 2.322 339 L HA 0.771 nan 4.340 nan 0.000 0.279 339 L C -0.739 176.273 176.870 0.237 0.000 1.036 339 L CA -0.888 54.028 54.840 0.127 0.000 0.807 339 L CB 1.036 43.160 42.059 0.110 0.000 1.226 339 L HN -0.203 7.862 8.230 -0.276 0.000 0.433 340 V N -0.076 119.966 119.914 0.212 0.000 3.007 340 V HA 0.594 nan 4.120 nan 0.000 0.311 340 V C -1.390 174.784 176.094 0.133 0.000 1.120 340 V CA -1.311 61.085 62.300 0.160 0.000 0.980 340 V CB 3.845 35.731 31.823 0.106 0.000 1.033 340 V HN 0.648 8.974 8.190 0.225 0.000 0.429 341 G N 1.682 110.540 108.800 0.097 0.000 2.907 341 G HA2 -0.254 nan 3.960 nan 0.000 0.686 341 G HA3 -0.254 nan 3.960 nan 0.000 0.686 341 G C -0.297 174.661 174.900 0.098 0.000 1.115 341 G CA -0.488 44.662 45.100 0.083 0.000 0.760 341 G HN 0.690 8.924 8.290 0.089 0.110 0.620 342 G N 0.661 109.506 108.800 0.076 0.000 2.498 342 G HA2 -0.266 nan 3.960 nan 0.000 0.219 342 G HA3 -0.266 nan 3.960 nan 0.000 0.219 342 G C 0.953 175.904 174.900 0.085 0.000 1.119 342 G CA 1.728 46.872 45.100 0.072 0.000 0.766 342 G HN 0.480 8.808 8.290 0.063 0.000 0.552 343 Q N 0.862 120.723 119.800 0.103 0.000 2.435 343 Q HA -0.067 nan 4.340 nan 0.000 0.207 343 Q C 1.517 177.603 176.000 0.142 0.000 0.956 343 Q CA 1.449 57.323 55.803 0.117 0.000 0.917 343 Q CB 0.081 28.893 28.738 0.124 0.000 0.997 343 Q HN -0.410 7.909 8.270 0.100 0.011 0.497 344 T N -5.006 109.642 114.554 0.156 0.000 3.380 344 T HA 0.168 nan 4.350 nan 0.000 0.250 344 T C 0.621 175.389 174.700 0.114 0.000 1.082 344 T CA 0.595 62.797 62.100 0.169 0.000 0.968 344 T CB -1.143 67.853 68.868 0.213 0.000 1.027 344 T HN 0.230 8.400 8.240 0.147 0.159 0.575 345 R N -0.742 119.815 120.500 0.094 0.000 2.334 345 R HA 0.150 nan 4.340 nan 0.000 0.212 345 R C -0.017 176.321 176.300 0.064 0.000 0.897 345 R CA -0.351 55.792 56.100 0.071 0.000 1.056 345 R CB 0.762 31.099 30.300 0.060 0.000 1.046 345 R HN -0.415 7.833 8.270 0.096 0.080 0.513 346 M N 3.346 122.993 119.600 0.077 0.000 2.143 346 M HA 0.327 nan 4.480 nan 0.000 0.348 346 M C -1.468 174.870 176.300 0.063 0.000 1.375 346 M CA -1.905 53.438 55.300 0.071 0.000 1.124 346 M CB 0.708 33.364 32.600 0.094 0.000 1.669 346 M HN -0.379 7.868 8.290 0.096 0.100 0.469 347 P HA -0.268 nan 4.420 nan 0.000 0.217 347 P C 0.887 178.209 177.300 0.036 0.000 1.148 347 P CA 2.496 65.617 63.100 0.034 0.000 0.834 347 P CB -0.302 31.413 31.700 0.024 0.000 0.783 348 M N -3.072 116.557 119.600 0.049 0.000 2.159 348 M HA -0.292 nan 4.480 nan 0.000 0.263 348 M C 1.716 178.049 176.300 0.056 0.000 1.063 348 M CA 3.707 59.041 55.300 0.055 0.000 1.110 348 M CB 0.079 32.727 32.600 0.079 0.000 1.374 348 M HN -0.408 7.893 8.290 0.054 0.022 0.411 349 V N -5.175 114.782 119.914 0.071 0.000 2.488 349 V HA -0.310 nan 4.120 nan 0.000 0.246 349 V C 1.894 177.968 176.094 -0.034 0.000 1.046 349 V CA 2.760 65.093 62.300 0.055 0.000 1.053 349 V CB -1.446 30.480 31.823 0.172 0.000 0.679 349 V HN -0.402 7.815 8.190 0.081 0.022 0.458 350 Q N 0.872 120.671 119.800 -0.002 0.000 2.084 350 Q HA -0.384 nan 4.340 nan 0.000 0.202 350 Q C 2.333 178.320 176.000 -0.021 0.000 0.978 350 Q CA 3.519 59.308 55.803 -0.024 0.000 0.844 350 Q CB -0.350 28.390 28.738 0.005 0.000 0.898 350 Q HN -0.453 7.730 8.270 0.029 0.104 0.426 351 K N -0.293 120.107 120.400 0.000 0.000 2.002 351 K HA -0.353 nan 4.320 nan 0.000 0.209 351 K C 2.122 178.727 176.600 0.009 0.000 1.048 351 K CA 3.420 59.712 56.287 0.008 0.000 0.930 351 K CB -0.104 32.405 32.500 0.014 0.000 0.714 351 K HN 0.539 8.678 8.250 0.010 0.117 0.438 352 K N -2.023 118.377 120.400 0.000 0.000 2.283 352 K HA -0.170 nan 4.320 nan 0.000 0.202 352 K C 2.788 179.387 176.600 -0.003 0.000 1.048 352 K CA 2.465 58.752 56.287 -0.001 0.000 0.948 352 K CB -0.138 32.357 32.500 -0.008 0.000 0.742 352 K HN -0.456 7.695 8.250 -0.005 0.097 0.458 353 V N -0.163 119.721 119.914 -0.050 0.000 2.407 353 V HA -0.253 nan 4.120 nan 0.000 0.245 353 V C 1.384 177.573 176.094 0.159 0.000 1.041 353 V CA 3.988 66.286 62.300 -0.004 0.000 1.040 353 V CB -0.767 30.898 31.823 -0.263 0.000 0.671 353 V HN 0.208 8.232 8.190 -0.100 0.107 0.455 354 A N -0.398 122.467 122.820 0.075 0.000 1.877 354 A HA -0.382 nan 4.320 nan 0.000 0.216 354 A C 2.025 179.664 177.584 0.091 0.000 1.186 354 A CA 3.634 55.722 52.037 0.086 0.000 0.620 354 A CB -0.917 18.105 19.000 0.036 0.000 0.822 354 A HN -0.142 7.924 8.150 0.023 0.098 0.443 355 E N -1.635 118.608 120.200 0.073 0.000 2.160 355 E HA -0.332 nan 4.350 nan 0.000 0.195 355 E C 1.807 178.461 176.600 0.089 0.000 0.991 355 E CA 2.546 58.985 56.400 0.065 0.000 0.810 355 E CB -0.033 29.702 29.700 0.058 0.000 0.742 355 E HN 0.071 8.363 8.360 0.058 0.104 0.466 356 F N -1.060 118.836 119.950 -0.089 0.000 2.179 356 F HA -0.185 nan 4.527 nan 0.000 0.292 356 F C 0.359 176.002 175.800 -0.263 0.000 1.089 356 F CA 2.147 60.022 58.000 -0.208 0.000 1.295 356 F CB 0.790 39.603 39.000 -0.311 0.000 1.041 356 F HN -0.801 7.545 8.300 0.208 0.079 0.487 357 F N -5.496 114.443 119.950 -0.018 0.000 2.416 357 F HA -0.161 nan 4.527 nan 0.000 0.296 357 F C 0.809 176.546 175.800 -0.106 0.000 1.099 357 F CA 1.516 59.448 58.000 -0.112 0.000 1.427 357 F CB 1.062 40.041 39.000 -0.035 0.000 1.079 357 F HN -0.303 8.116 8.300 0.197 0.000 0.536 358 G N -2.455 106.395 108.800 0.084 0.000 2.268 358 G HA2 -0.330 nan 3.960 nan 0.000 0.240 358 G HA3 -0.330 nan 3.960 nan 0.000 0.240 358 G C -1.452 173.470 174.900 0.037 0.000 1.010 358 G CA 0.094 45.212 45.100 0.031 0.000 0.618 358 G HN 0.301 8.525 8.290 0.094 0.123 0.516 359 K N 1.173 121.609 120.400 0.060 0.000 2.345 359 K HA 0.212 nan 4.320 nan 0.000 0.255 359 K C -0.794 175.813 176.600 0.011 0.000 0.934 359 K CA -1.469 54.829 56.287 0.019 0.000 0.801 359 K CB 1.507 34.006 32.500 -0.002 0.000 1.137 359 K HN -0.234 8.010 8.250 0.117 0.076 0.424 360 E N 3.619 123.814 120.200 -0.009 0.000 2.415 360 E HA 0.076 nan 4.350 nan 0.000 0.263 360 E C -1.089 175.478 176.600 -0.055 0.000 0.995 360 E CA -1.614 54.775 56.400 -0.019 0.000 0.915 360 E CB -0.358 29.331 29.700 -0.019 0.000 0.951 360 E HN 0.183 8.538 8.360 -0.009 0.000 0.449 361 P HA 0.096 nan 4.420 nan 0.000 0.271 361 P C -1.718 175.499 177.300 -0.137 0.000 1.216 361 P CA -0.274 62.753 63.100 -0.122 0.000 0.776 361 P CB 0.678 32.309 31.700 -0.114 0.000 0.881 362 R N 3.095 123.457 120.500 -0.231 0.000 2.308 362 R HA 0.097 nan 4.340 nan 0.000 0.305 362 R C -0.595 175.493 176.300 -0.353 0.000 1.053 362 R CA 0.095 56.028 56.100 -0.279 0.000 0.957 362 R CB 1.286 31.377 30.300 -0.348 0.000 1.022 362 R HN 0.552 8.651 8.270 -0.286 0.000 0.461 363 K N 5.101 125.437 120.400 -0.107 0.000 3.257 363 K HA 0.091 nan 4.320 nan 0.000 0.196 363 K C -1.713 174.985 176.600 0.163 0.000 1.089 363 K CA 0.098 56.433 56.287 0.080 0.000 0.959 363 K CB 0.581 33.114 32.500 0.054 0.000 0.719 363 K HN 0.255 8.473 8.250 -0.053 0.000 0.446 364 D N -1.210 119.318 120.400 0.214 0.000 2.319 364 D HA -0.065 nan 4.640 nan 0.000 0.230 364 D C -1.906 174.502 176.300 0.179 0.000 1.094 364 D CA 0.821 54.922 54.000 0.168 0.000 0.856 364 D CB 0.179 41.062 40.800 0.139 0.000 0.915 364 D HN -0.233 8.271 8.370 0.223 0.000 0.517 365 V N -3.200 116.853 119.914 0.233 0.000 2.969 365 V HA 0.103 nan 4.120 nan 0.000 0.304 365 V C -1.604 174.528 176.094 0.063 0.000 1.192 365 V CA -1.270 61.054 62.300 0.041 0.000 0.962 365 V CB 2.920 34.617 31.823 -0.210 0.000 1.045 365 V HN -0.761 7.576 8.190 0.396 0.091 0.428 366 N N 5.538 124.242 118.700 0.006 0.000 2.431 366 N HA 0.254 nan 4.740 nan 0.000 0.265 366 N C -0.334 175.192 175.510 0.027 0.000 1.184 366 N CA -2.728 50.340 53.050 0.029 0.000 0.943 366 N CB 0.811 39.302 38.487 0.007 0.000 1.080 366 N HN 0.270 8.637 8.380 -0.021 0.000 0.477 367 P HA 0.052 nan 4.420 nan 0.000 0.258 367 P C -1.527 175.807 177.300 0.055 0.000 1.403 367 P CA 1.209 64.364 63.100 0.092 0.000 0.826 367 P CB 0.027 31.817 31.700 0.150 0.000 1.414 368 D N -5.371 115.046 120.400 0.027 0.000 2.479 368 D HA 0.081 nan 4.640 nan 0.000 0.218 368 D C -0.355 175.938 176.300 -0.012 0.000 1.177 368 D CA -0.120 53.887 54.000 0.012 0.000 0.830 368 D CB -0.581 40.229 40.800 0.017 0.000 1.014 368 D HN -0.160 8.173 8.370 0.022 0.051 0.503 369 E N -0.969 119.214 120.200 -0.028 0.000 2.441 369 E HA 0.145 nan 4.350 nan 0.000 0.207 369 E C 1.655 178.204 176.600 -0.086 0.000 0.803 369 E CA 0.492 56.860 56.400 -0.053 0.000 1.240 369 E CB 1.606 31.272 29.700 -0.056 0.000 1.233 369 E HN 0.188 8.423 8.360 -0.024 0.111 0.590 370 A N 1.925 124.675 122.820 -0.117 0.000 1.903 370 A HA -0.287 nan 4.320 nan 0.000 0.219 370 A C 1.419 178.894 177.584 -0.181 0.000 1.191 370 A CA 3.532 55.430 52.037 -0.232 0.000 0.638 370 A CB -0.906 17.869 19.000 -0.375 0.000 0.823 370 A HN 0.577 8.567 8.150 -0.086 0.109 0.451 371 V N -4.110 115.741 119.914 -0.105 0.000 2.913 371 V HA -0.183 nan 4.120 nan 0.000 0.260 371 V C 0.508 176.556 176.094 -0.077 0.000 1.098 371 V CA 1.742 63.996 62.300 -0.077 0.000 1.121 371 V CB -1.260 30.536 31.823 -0.046 0.000 0.714 371 V HN 0.008 8.155 8.190 -0.072 0.000 0.487 372 A N -0.687 122.087 122.820 -0.078 0.000 1.943 372 A HA -0.031 nan 4.320 nan 0.000 0.213 372 A C 1.553 179.089 177.584 -0.079 0.000 1.181 372 A CA 2.488 54.483 52.037 -0.071 0.000 0.653 372 A CB 0.421 19.384 19.000 -0.062 0.000 0.833 372 A HN -0.151 7.794 8.150 -0.080 0.157 0.451 373 I N -0.646 119.864 120.570 -0.099 0.000 2.361 373 I HA -0.530 nan 4.170 nan 0.000 0.251 373 I C 1.622 177.681 176.117 -0.096 0.000 1.133 373 I CA 3.941 65.180 61.300 -0.102 0.000 1.413 373 I CB -0.310 37.612 38.000 -0.129 0.000 1.073 373 I HN 0.128 8.146 8.210 -0.115 0.123 0.424 374 G N -2.136 106.601 108.800 -0.105 0.000 2.450 374 G HA2 -0.313 nan 3.960 nan 0.000 0.220 374 G HA3 -0.313 nan 3.960 nan 0.000 0.220 374 G C 0.138 174.992 174.900 -0.076 0.000 1.130 374 G CA 2.182 47.231 45.100 -0.084 0.000 0.760 374 G HN 0.332 8.358 8.290 -0.117 0.193 0.557 375 A N 1.401 124.177 122.820 -0.073 0.000 1.874 375 A HA -0.033 nan 4.320 nan 0.000 0.214 375 A C 1.632 179.180 177.584 -0.060 0.000 1.189 375 A CA 2.276 54.273 52.037 -0.067 0.000 0.615 375 A CB -0.340 18.624 19.000 -0.060 0.000 0.830 375 A HN -0.772 7.163 8.150 -0.075 0.171 0.443 376 A N -1.000 121.785 122.820 -0.058 0.000 1.908 376 A HA -0.280 nan 4.320 nan 0.000 0.218 376 A C 1.921 179.478 177.584 -0.046 0.000 1.181 376 A CA 3.349 55.357 52.037 -0.049 0.000 0.627 376 A CB -0.587 18.382 19.000 -0.052 0.000 0.818 376 A HN 0.491 8.494 8.150 -0.063 0.109 0.445 377 V N -2.190 117.693 119.914 -0.052 0.000 2.809 377 V HA -0.306 nan 4.120 nan 0.000 0.256 377 V C 1.228 177.292 176.094 -0.049 0.000 1.080 377 V CA 3.226 65.499 62.300 -0.043 0.000 1.102 377 V CB -0.570 31.229 31.823 -0.040 0.000 0.705 377 V HN 0.407 8.456 8.190 -0.059 0.105 0.475 378 Q N -0.477 119.284 119.800 -0.065 0.000 2.061 378 Q HA -0.132 nan 4.340 nan 0.000 0.195 378 Q C 2.144 178.109 176.000 -0.058 0.000 0.967 378 Q CA 2.613 58.368 55.803 -0.079 0.000 0.829 378 Q CB -0.175 28.502 28.738 -0.102 0.000 0.900 378 Q HN -0.677 7.439 8.270 -0.068 0.113 0.450 379 G N -1.391 107.378 108.800 -0.051 0.000 2.446 379 G HA2 -0.350 nan 3.960 nan 0.000 0.217 379 G HA3 -0.350 nan 3.960 nan 0.000 0.217 379 G C 0.840 175.723 174.900 -0.028 0.000 1.168 379 G CA 1.722 46.799 45.100 -0.038 0.000 0.771 379 G HN 0.380 8.637 8.290 -0.054 0.000 0.551 380 G N 0.802 109.587 108.800 -0.026 0.000 2.620 380 G HA2 -0.192 nan 3.960 nan 0.000 0.180 380 G HA3 -0.192 nan 3.960 nan 0.000 0.180 380 G C 0.594 175.485 174.900 -0.015 0.000 1.545 380 G CA 1.199 46.289 45.100 -0.017 0.000 0.866 380 G HN -0.059 8.100 8.290 -0.030 0.112 0.432 381 V N 2.667 122.573 119.914 -0.014 0.000 2.515 381 V HA -0.258 nan 4.120 nan 0.000 0.250 381 V C 1.867 177.953 176.094 -0.012 0.000 1.058 381 V CA 2.924 65.218 62.300 -0.010 0.000 1.064 381 V CB -0.516 31.303 31.823 -0.006 0.000 0.675 381 V HN -0.421 7.761 8.190 -0.014 0.000 0.461 382 L N -1.702 119.510 121.223 -0.020 0.000 1.971 382 L HA -0.288 nan 4.340 nan 0.000 0.208 382 L C 1.816 178.670 176.870 -0.026 0.000 1.083 382 L CA 3.278 58.103 54.840 -0.025 0.000 0.753 382 L CB 0.337 42.371 42.059 -0.041 0.000 0.893 382 L HN -0.547 7.644 8.230 -0.024 0.025 0.436 383 T N -0.490 114.044 114.554 -0.032 0.000 3.118 383 T HA -0.116 nan 4.350 nan 0.000 0.260 383 T C 1.775 176.463 174.700 -0.020 0.000 1.139 383 T CA 2.424 64.507 62.100 -0.029 0.000 1.085 383 T CB -0.936 67.910 68.868 -0.036 0.000 0.934 383 T HN 0.234 8.450 8.240 -0.041 0.000 0.518 384 G N 2.879 111.669 108.800 -0.017 0.000 2.946 384 G HA2 -0.462 nan 3.960 nan 0.000 0.290 384 G HA3 -0.462 nan 3.960 nan 0.000 0.290 384 G C -0.358 174.536 174.900 -0.010 0.000 1.077 384 G CA 1.720 46.813 45.100 -0.011 0.000 0.808 384 G HN 0.317 8.597 8.290 -0.017 0.000 0.792 385 D N -0.886 119.509 120.400 -0.009 0.000 3.719 385 D HA 0.049 nan 4.640 nan 0.000 0.236 385 D C -0.685 175.610 176.300 -0.008 0.000 1.496 385 D CA -0.375 53.621 54.000 -0.006 0.000 1.057 385 D CB 2.468 43.266 40.800 -0.003 0.000 1.296 385 D HN -0.160 8.086 8.370 -0.011 0.118 0.627 386 V N -1.322 118.591 119.914 -0.002 0.000 3.910 386 V HA -0.355 nan 4.120 nan 0.000 0.510 386 V C -1.553 174.538 176.094 -0.005 0.000 0.682 386 V CA 1.334 63.634 62.300 -0.001 0.000 2.016 386 V CB -0.657 31.167 31.823 0.003 0.000 2.410 386 V HN 0.375 8.566 8.190 0.001 0.000 0.511 387 K N 5.016 125.418 120.400 0.003 0.000 8.023 387 K HA -0.058 nan 4.320 nan 0.000 0.227 387 K C -2.140 174.467 176.600 0.011 0.000 1.587 387 K CA -0.054 56.238 56.287 0.007 0.000 0.933 387 K CB 1.268 33.772 32.500 0.006 0.000 0.497 387 K HN 1.020 9.817 8.250 0.008 -0.543 0.449 388 D N -1.210 119.196 120.400 0.009 0.000 2.579 388 D HA 0.258 nan 4.640 nan 0.000 0.257 388 D C -0.887 175.420 176.300 0.011 0.000 1.176 388 D CA -0.228 53.780 54.000 0.012 0.000 0.914 388 D CB 2.433 43.241 40.800 0.014 0.000 1.431 388 D HN -0.179 8.194 8.370 0.004 0.000 0.454 389 V N -5.344 114.578 119.914 0.013 0.000 3.787 389 V HA 0.155 nan 4.120 nan 0.000 0.330 389 V C -2.323 173.779 176.094 0.012 0.000 2.098 389 V CA 0.213 62.520 62.300 0.012 0.000 0.970 389 V CB 0.164 31.994 31.823 0.011 0.000 0.921 389 V HN 0.171 8.369 8.190 0.014 0.000 0.430 390 L N -1.315 119.915 121.223 0.012 0.000 2.223 390 L HA 0.511 nan 4.340 nan 0.000 0.243 390 L C -2.092 174.785 176.870 0.013 0.000 1.105 390 L CA -0.564 54.282 54.840 0.011 0.000 0.943 390 L CB 3.661 45.726 42.059 0.011 0.000 1.542 390 L HN -0.011 8.227 8.230 0.013 0.000 0.437 391 L N -3.594 117.635 121.223 0.011 0.000 2.331 391 L HA 0.798 nan 4.340 nan 0.000 0.268 391 L C -0.953 175.929 176.870 0.020 0.000 1.015 391 L CA -1.237 53.612 54.840 0.015 0.000 0.807 391 L CB 0.930 42.992 42.059 0.005 0.000 1.293 391 L HN -0.226 8.009 8.230 0.009 0.000 0.451 392 L N -3.308 117.932 121.223 0.029 0.000 8.477 392 L HA -0.165 nan 4.340 nan 0.000 0.053 392 L C -2.201 174.692 176.870 0.037 0.000 1.421 392 L CA 0.343 55.204 54.840 0.035 0.000 1.077 392 L CB 0.253 42.330 42.059 0.028 0.000 3.162 392 L HN 0.150 8.400 8.230 0.034 0.000 1.313 393 D N -1.852 118.565 120.400 0.030 0.000 2.340 393 D HA 0.627 nan 4.640 nan 0.000 0.240 393 D C -1.345 174.968 176.300 0.022 0.000 1.001 393 D CA 0.135 54.152 54.000 0.028 0.000 0.888 393 D CB 2.440 43.255 40.800 0.025 0.000 1.310 393 D HN -0.246 8.139 8.370 0.025 0.000 0.474 394 V N 1.201 121.128 119.914 0.022 0.000 5.773 394 V HA 0.180 nan 4.120 nan 0.000 0.097 394 V C -1.767 174.337 176.094 0.015 0.000 1.006 394 V CA 0.817 63.128 62.300 0.017 0.000 1.103 394 V CB 2.929 34.762 31.823 0.016 0.000 1.712 394 V HN 0.651 8.704 8.190 0.024 0.152 0.617 395 T N -0.473 114.091 114.554 0.016 0.000 3.847 395 T HA -0.008 nan 4.350 nan 0.000 0.178 395 T C -1.948 172.764 174.700 0.019 0.000 0.512 395 T CA -0.793 61.318 62.100 0.018 0.000 1.032 395 T CB -0.591 68.289 68.868 0.019 0.000 1.453 395 T HN -0.136 8.112 8.240 0.013 0.000 0.577 396 P HA -0.170 nan 4.420 nan 0.000 0.250 396 P C -0.483 176.826 177.300 0.016 0.000 1.363 396 P CA -0.079 63.029 63.100 0.013 0.000 0.832 396 P CB 0.499 32.204 31.700 0.009 0.000 1.074 397 L N -2.490 118.741 121.223 0.013 0.000 2.482 397 L HA -0.090 nan 4.340 nan 0.000 0.273 397 L C 0.498 177.376 176.870 0.013 0.000 1.228 397 L CA 0.166 55.013 54.840 0.010 0.000 0.827 397 L CB 0.579 42.643 42.059 0.008 0.000 1.099 397 L HN -0.218 8.021 8.230 0.014 0.000 0.494 398 S N 1.322 117.024 115.700 0.003 0.000 2.584 398 S HA 0.355 nan 4.470 nan 0.000 0.270 398 S C -1.509 173.092 174.600 0.002 0.000 1.346 398 S CA 1.137 59.333 58.200 -0.006 0.000 1.018 398 S CB 0.362 63.546 63.200 -0.026 0.000 0.899 398 S HN 0.876 9.788 8.310 -0.001 -0.603 0.542 399 L N 0.433 121.650 121.223 -0.009 0.000 2.408 399 L HA 0.813 nan 4.340 nan 0.000 0.268 399 L C -1.133 175.636 176.870 -0.167 0.000 0.986 399 L CA -0.762 54.093 54.840 0.025 0.000 0.820 399 L CB 3.200 45.370 42.059 0.185 0.000 1.303 399 L HN 0.604 8.703 8.230 -0.038 0.108 0.411 400 G N 0.852 109.577 108.800 -0.125 0.000 2.561 400 G HA2 0.809 nan 3.960 nan 0.000 0.310 400 G HA3 0.809 nan 3.960 nan 0.000 0.310 400 G C -3.203 171.671 174.900 -0.044 0.000 1.292 400 G CA 0.298 45.247 45.100 -0.252 0.000 0.811 400 G HN 0.640 8.960 8.290 0.050 0.000 0.482 401 I N -6.809 113.718 120.570 -0.071 0.000 3.074 401 I HA 0.846 nan 4.170 nan 0.000 0.310 401 I C -2.616 173.463 176.117 -0.062 0.000 1.153 401 I CA -2.710 58.569 61.300 -0.036 0.000 0.993 401 I CB 4.274 42.243 38.000 -0.052 0.000 1.237 401 I HN 0.809 8.951 8.210 -0.114 0.000 0.443 402 E N 1.009 121.202 120.200 -0.012 0.000 2.259 402 E HA 0.302 nan 4.350 nan 0.000 0.281 402 E C -0.382 176.170 176.600 -0.080 0.000 1.037 402 E CA -0.454 55.958 56.400 0.020 0.000 0.854 402 E CB 1.262 31.051 29.700 0.148 0.000 1.051 402 E HN -0.008 8.376 8.360 0.040 0.000 0.409 403 T N 1.445 115.959 114.554 -0.066 0.000 2.940 403 T HA 0.474 nan 4.350 nan 0.000 0.288 403 T C -1.119 173.568 174.700 -0.020 0.000 1.045 403 T CA -2.906 59.142 62.100 -0.087 0.000 1.018 403 T CB 2.392 71.218 68.868 -0.069 0.000 1.151 403 T HN 0.593 8.822 8.240 -0.018 0.000 0.529 404 M N 2.594 122.185 119.600 -0.016 0.000 2.390 404 M HA -0.307 nan 4.480 nan 0.000 0.353 404 M C 0.216 176.519 176.300 0.005 0.000 1.623 404 M CA 2.466 57.765 55.300 -0.002 0.000 1.065 404 M CB -0.360 32.242 32.600 0.002 0.000 2.025 404 M HN 0.382 8.661 8.290 -0.018 0.000 0.461 405 G N 4.241 113.051 108.800 0.018 0.000 2.545 405 G HA2 -0.271 nan 3.960 nan 0.000 0.195 405 G HA3 -0.271 nan 3.960 nan 0.000 0.195 405 G C -0.180 174.796 174.900 0.126 0.000 1.009 405 G CA -0.587 44.525 45.100 0.020 0.000 0.703 405 G HN -0.054 8.252 8.290 0.026 0.000 0.479 406 G N 0.465 109.335 108.800 0.116 0.000 2.171 406 G HA2 -0.410 nan 3.960 nan 0.000 0.238 406 G HA3 -0.410 nan 3.960 nan 0.000 0.238 406 G C -2.112 172.922 174.900 0.224 0.000 1.039 406 G CA 0.233 45.428 45.100 0.157 0.000 0.759 406 G HN 0.278 8.494 8.290 0.068 0.114 0.501 407 V N 0.701 120.717 119.914 0.170 0.000 2.547 407 V HA 0.754 nan 4.120 nan 0.000 0.299 407 V C -1.624 174.522 176.094 0.087 0.000 1.040 407 V CA -2.970 59.435 62.300 0.174 0.000 0.913 407 V CB 3.091 34.980 31.823 0.110 0.000 0.992 407 V HN -0.676 7.575 8.190 0.102 0.000 0.449 408 M N 8.425 128.071 119.600 0.076 0.000 2.227 408 M HA 0.229 nan 4.480 nan 0.000 0.349 408 M C -1.023 175.287 176.300 0.016 0.000 1.443 408 M CA 0.425 55.741 55.300 0.027 0.000 1.110 408 M CB 0.853 33.462 32.600 0.015 0.000 1.773 408 M HN 0.890 9.116 8.290 0.098 0.123 0.463 409 T N 10.331 124.883 114.554 -0.005 0.000 2.771 409 T HA 0.357 nan 4.350 nan 0.000 0.281 409 T C -0.981 173.700 174.700 -0.032 0.000 0.982 409 T CA -0.555 61.554 62.100 0.015 0.000 0.978 409 T CB 1.386 70.305 68.868 0.084 0.000 0.930 409 T HN 0.931 9.046 8.240 -0.028 0.109 0.447 410 T N 8.807 123.332 114.554 -0.049 0.000 2.817 410 T HA 0.366 nan 4.350 nan 0.000 0.293 410 T C -0.716 173.884 174.700 -0.167 0.000 0.964 410 T CA 0.510 62.540 62.100 -0.117 0.000 1.085 410 T CB 0.264 69.078 68.868 -0.089 0.000 0.921 410 T HN 0.588 8.811 8.240 -0.028 0.000 0.502 411 L N 4.296 125.323 121.223 -0.325 0.000 2.445 411 L HA 0.336 nan 4.340 nan 0.000 0.207 411 L C 0.162 176.857 176.870 -0.293 0.000 1.053 411 L CA 0.796 55.405 54.840 -0.384 0.000 0.841 411 L CB 1.512 43.047 42.059 -0.874 0.000 1.074 411 L HN 0.616 8.598 8.230 -0.414 0.000 0.479 412 I N -2.426 117.997 120.570 -0.244 0.000 2.406 412 I HA 0.120 nan 4.170 nan 0.000 0.290 412 I C -1.478 174.591 176.117 -0.081 0.000 0.999 412 I CA -2.032 59.223 61.300 -0.074 0.000 1.124 412 I CB 0.662 38.716 38.000 0.091 0.000 1.289 412 I HN 0.136 8.050 8.210 -0.312 0.108 0.441 413 A N 6.922 129.691 122.820 -0.085 0.000 2.296 413 A HA 0.218 nan 4.320 nan 0.000 0.264 413 A C -1.265 176.309 177.584 -0.016 0.000 1.097 413 A CA -0.841 51.160 52.037 -0.060 0.000 0.811 413 A CB 0.714 19.672 19.000 -0.070 0.000 1.072 413 A HN 0.291 8.373 8.150 -0.113 0.000 0.495 414 K N 0.233 120.624 120.400 -0.015 0.000 2.368 414 K HA -0.283 nan 4.320 nan 0.000 0.282 414 K C -0.496 176.108 176.600 0.005 0.000 1.035 414 K CA 0.491 56.777 56.287 -0.001 0.000 0.973 414 K CB 0.210 32.708 32.500 -0.004 0.000 0.957 414 K HN 0.056 8.292 8.250 -0.022 0.000 0.474 415 N N 1.688 120.396 118.700 0.014 0.000 2.862 415 N HA -0.400 nan 4.740 nan 0.000 0.248 415 N C -1.599 173.926 175.510 0.025 0.000 1.116 415 N CA 0.652 53.712 53.050 0.016 0.000 0.727 415 N CB -0.729 37.764 38.487 0.011 0.000 1.083 415 N HN 0.156 8.546 8.380 0.016 0.000 0.555 416 T N -0.540 114.036 114.554 0.036 0.000 2.855 416 T HA 0.650 nan 4.350 nan 0.000 0.281 416 T C 0.183 174.916 174.700 0.054 0.000 1.007 416 T CA -0.281 61.852 62.100 0.054 0.000 1.009 416 T CB 2.587 71.506 68.868 0.084 0.000 0.983 416 T HN -0.508 7.754 8.240 0.037 0.000 0.455 417 T N 2.149 116.733 114.554 0.050 0.000 2.771 417 T HA 0.466 nan 4.350 nan 0.000 0.290 417 T C -0.941 173.785 174.700 0.044 0.000 1.005 417 T CA -1.763 60.361 62.100 0.040 0.000 0.944 417 T CB 1.116 70.002 68.868 0.030 0.000 1.147 417 T HN 0.749 8.910 8.240 0.050 0.109 0.534 418 I N -7.127 113.463 120.570 0.034 0.000 2.647 418 I HA 0.604 nan 4.170 nan 0.000 0.295 418 I C -2.607 173.525 176.117 0.025 0.000 1.078 418 I CA -4.123 57.197 61.300 0.034 0.000 1.048 418 I CB 2.489 40.510 38.000 0.035 0.000 1.239 418 I HN 0.104 8.331 8.210 0.028 0.000 0.421 419 P HA 0.236 nan 4.420 nan 0.000 0.279 419 P C -1.393 175.911 177.300 0.008 0.000 1.252 419 P CA -1.042 62.072 63.100 0.024 0.000 0.811 419 P CB 1.068 32.781 31.700 0.021 0.000 1.035 420 T N -0.476 114.081 114.554 0.005 0.000 3.012 420 T HA 0.239 nan 4.350 nan 0.000 0.330 420 T C -2.630 172.031 174.700 -0.066 0.000 1.321 420 T CA 0.044 62.110 62.100 -0.057 0.000 1.067 420 T CB 2.915 71.776 68.868 -0.011 0.000 1.235 420 T HN 0.147 8.406 8.240 0.031 0.000 0.479 421 K N 6.513 126.782 120.400 -0.219 0.000 2.507 421 K HA 0.817 nan 4.320 nan 0.000 0.251 421 K C -1.692 174.735 176.600 -0.288 0.000 0.943 421 K CA -1.173 55.042 56.287 -0.120 0.000 0.794 421 K CB 2.262 34.729 32.500 -0.055 0.000 1.188 421 K HN 0.350 8.381 8.250 -0.365 0.000 0.428 422 H N 4.151 123.288 119.070 0.112 0.000 2.985 422 H HA 0.329 nan 4.556 nan 0.000 0.360 422 H C -2.229 173.171 175.328 0.120 0.000 1.221 422 H CA -0.504 55.595 56.048 0.085 0.000 1.121 422 H CB 4.856 34.650 29.762 0.052 0.000 1.854 422 H HN 0.674 9.081 8.280 0.212 0.000 0.551 423 S N -0.235 115.604 115.700 0.232 0.000 2.588 423 S HA 0.593 nan 4.470 nan 0.000 0.269 423 S C -2.307 172.341 174.600 0.081 0.000 1.157 423 S CA -0.417 57.886 58.200 0.172 0.000 0.824 423 S CB 3.490 66.774 63.200 0.139 0.000 1.126 423 S HN 0.089 8.530 8.310 0.218 0.000 0.464 424 Q N -0.411 119.423 119.800 0.057 0.000 2.472 424 Q HA 0.312 nan 4.340 nan 0.000 0.281 424 Q C -2.471 173.405 176.000 -0.207 0.000 0.997 424 Q CA -0.244 55.477 55.803 -0.137 0.000 0.828 424 Q CB 4.159 32.770 28.738 -0.212 0.000 1.443 424 Q HN 0.534 8.886 8.270 0.136 0.000 0.390 425 V N 3.396 123.079 119.914 -0.384 0.000 2.435 425 V HA 0.671 nan 4.120 nan 0.000 0.290 425 V C -1.054 174.722 176.094 -0.531 0.000 1.030 425 V CA -0.403 61.740 62.300 -0.260 0.000 0.881 425 V CB 0.670 32.413 31.823 -0.132 0.000 0.983 425 V HN 0.246 8.204 8.190 -0.386 0.000 0.445 426 F N 6.004 125.971 119.950 0.028 0.000 2.740 426 F HA 0.466 nan 4.527 nan 0.000 0.357 426 F C -1.619 174.191 175.800 0.017 0.000 1.141 426 F CA -2.123 55.888 58.000 0.019 0.000 1.044 426 F CB 4.015 43.028 39.000 0.020 0.000 1.430 426 F HN 1.198 9.481 8.300 0.174 0.121 0.518 427 S N -2.068 113.779 115.700 0.245 0.000 2.671 427 S HA 0.342 nan 4.470 nan 0.000 0.277 427 S C -0.968 173.686 174.600 0.088 0.000 1.165 427 S CA -1.223 57.051 58.200 0.124 0.000 0.822 427 S CB 2.288 65.543 63.200 0.091 0.000 1.150 427 S HN 0.007 8.502 8.310 0.308 0.000 0.479 428 T N -3.038 111.545 114.554 0.048 0.000 2.828 428 T HA 0.430 nan 4.350 nan 0.000 0.290 428 T C 0.197 174.899 174.700 0.004 0.000 1.019 428 T CA -0.968 61.142 62.100 0.016 0.000 1.031 428 T CB 0.763 69.634 68.868 0.006 0.000 1.001 428 T HN 0.109 8.376 8.240 0.046 0.000 0.531 429 A N 1.002 123.808 122.820 -0.023 0.000 2.167 429 A HA 0.293 nan 4.320 nan 0.000 0.208 429 A C -0.172 177.350 177.584 -0.103 0.000 1.198 429 A CA 0.465 52.474 52.037 -0.045 0.000 0.863 429 A CB 1.167 20.146 19.000 -0.035 0.000 0.904 429 A HN 0.911 9.460 8.150 -0.027 -0.415 0.484 430 E N -1.420 118.726 120.200 -0.091 0.000 2.320 430 E HA 0.254 nan 4.350 nan 0.000 0.264 430 E C -1.683 174.865 176.600 -0.085 0.000 0.923 430 E CA -2.013 54.317 56.400 -0.116 0.000 0.796 430 E CB 3.363 33.021 29.700 -0.070 0.000 1.262 430 E HN -0.082 8.644 8.360 -0.059 -0.401 0.428 431 D N 0.918 121.275 120.400 -0.072 0.000 2.256 431 D HA 0.025 nan 4.640 nan 0.000 0.250 431 D C 0.494 176.796 176.300 0.004 0.000 1.093 431 D CA 0.793 54.791 54.000 -0.004 0.000 0.882 431 D CB 0.270 41.109 40.800 0.065 0.000 1.185 431 D HN 0.155 8.474 8.370 -0.085 0.000 0.437 432 N N 1.817 120.524 118.700 0.011 0.000 2.776 432 N HA -0.527 nan 4.740 nan 0.000 0.250 432 N C -1.642 173.869 175.510 0.001 0.000 1.112 432 N CA 1.409 54.464 53.050 0.009 0.000 0.733 432 N CB -0.400 38.094 38.487 0.011 0.000 1.097 432 N HN 0.277 8.667 8.380 0.016 0.000 0.558 433 Q N -0.511 119.286 119.800 -0.004 0.000 2.295 433 Q HA 0.126 nan 4.340 nan 0.000 0.259 433 Q C -0.400 175.599 176.000 -0.001 0.000 0.976 433 Q CA 0.086 55.884 55.803 -0.008 0.000 0.923 433 Q CB 0.824 29.552 28.738 -0.018 0.000 1.185 433 Q HN -0.711 7.509 8.270 -0.006 0.046 0.410 434 S N 3.387 119.086 115.700 -0.001 0.000 2.540 434 S HA 0.203 nan 4.470 nan 0.000 0.218 434 S C -1.501 173.100 174.600 0.002 0.000 0.977 434 S CA -0.071 58.131 58.200 0.003 0.000 0.918 434 S CB 0.610 63.812 63.200 0.004 0.000 0.806 434 S HN 0.479 8.786 8.310 -0.004 0.000 0.496 435 A N -0.499 122.318 122.820 -0.005 0.000 2.612 435 A HA 0.732 nan 4.320 nan 0.000 0.293 435 A C -2.379 175.190 177.584 -0.026 0.000 1.075 435 A CA -0.103 51.928 52.037 -0.011 0.000 0.680 435 A CB 2.341 21.334 19.000 -0.013 0.000 1.279 435 A HN -0.851 7.294 8.150 -0.009 0.000 0.411 436 V N -6.486 113.402 119.914 -0.043 0.000 2.876 436 V HA 0.645 nan 4.120 nan 0.000 0.312 436 V C -1.278 174.746 176.094 -0.116 0.000 1.085 436 V CA -2.559 59.698 62.300 -0.072 0.000 0.945 436 V CB 3.065 34.846 31.823 -0.070 0.000 1.017 436 V HN 0.578 8.743 8.190 -0.041 0.000 0.428 437 T N 3.879 118.355 114.554 -0.130 0.000 2.845 437 T HA 0.605 nan 4.350 nan 0.000 0.288 437 T C -0.728 173.832 174.700 -0.233 0.000 0.980 437 T CA -0.354 61.645 62.100 -0.167 0.000 1.071 437 T CB 0.435 69.227 68.868 -0.126 0.000 0.941 437 T HN -0.007 8.168 8.240 -0.108 0.000 0.487 438 I N 5.183 125.518 120.570 -0.391 0.000 2.382 438 I HA 0.237 nan 4.170 nan 0.000 0.286 438 I C -1.810 174.197 176.117 -0.183 0.000 1.002 438 I CA -1.692 59.356 61.300 -0.420 0.000 1.135 438 I CB 1.320 38.770 38.000 -0.917 0.000 1.288 438 I HN 0.873 8.822 8.210 -0.435 0.000 0.448 439 H N 7.715 126.704 119.070 -0.135 0.000 2.511 439 H HA 0.450 nan 4.556 nan 0.000 0.328 439 H C -1.362 173.990 175.328 0.040 0.000 1.044 439 H CA -1.756 54.269 56.048 -0.037 0.000 1.212 439 H CB 1.983 31.721 29.762 -0.040 0.000 1.428 439 H HN 0.297 8.608 8.280 0.051 0.000 0.483 440 V N 8.460 128.355 119.914 -0.031 0.000 2.364 440 V HA 0.320 nan 4.120 nan 0.000 0.272 440 V C -1.482 174.518 176.094 -0.157 0.000 1.036 440 V CA -0.303 62.009 62.300 0.020 0.000 0.880 440 V CB 0.192 32.059 31.823 0.072 0.000 0.991 440 V HN 1.229 9.327 8.190 0.049 0.121 0.460 441 L N 7.036 128.201 121.223 -0.096 0.000 2.317 441 L HA 0.620 nan 4.340 nan 0.000 0.281 441 L C -1.799 175.067 176.870 -0.007 0.000 1.024 441 L CA -1.138 53.622 54.840 -0.134 0.000 0.810 441 L CB 2.220 44.199 42.059 -0.134 0.000 1.240 441 L HN 1.124 9.263 8.230 0.031 0.110 0.427 442 Q N 2.697 122.486 119.800 -0.019 0.000 2.322 442 Q HA 0.702 nan 4.340 nan 0.000 0.265 442 Q C -1.462 174.534 176.000 -0.008 0.000 0.985 442 Q CA -1.439 54.368 55.803 0.006 0.000 0.849 442 Q CB 3.253 31.998 28.738 0.012 0.000 1.274 442 Q HN 0.872 9.006 8.270 -0.043 0.110 0.449 443 G N 4.217 113.015 108.800 -0.004 0.000 2.327 443 G HA2 0.064 nan 3.960 nan 0.000 0.291 443 G HA3 0.064 nan 3.960 nan 0.000 0.291 443 G C -2.685 172.211 174.900 -0.006 0.000 1.290 443 G CA 0.856 45.953 45.100 -0.006 0.000 0.857 443 G HN 0.431 8.722 8.290 0.001 0.000 0.520 444 E N -2.527 117.671 120.200 -0.003 0.000 2.743 444 E HA 0.203 nan 4.350 nan 0.000 0.222 444 E C -0.385 176.219 176.600 0.005 0.000 0.959 444 E CA -0.715 55.684 56.400 -0.001 0.000 1.198 444 E CB 2.033 31.733 29.700 -0.000 0.000 1.100 444 E HN -0.184 8.212 8.360 -0.003 -0.038 0.518 445 R N -0.252 120.251 120.500 0.006 0.000 2.500 445 R HA 0.209 nan 4.340 nan 0.000 0.277 445 R C 0.402 176.722 176.300 0.034 0.000 1.026 445 R CA -1.980 54.128 56.100 0.013 0.000 1.058 445 R CB 0.531 30.830 30.300 -0.003 0.000 1.078 445 R HN -0.107 8.551 8.270 0.001 -0.388 0.509 446 K N 0.610 121.051 120.400 0.069 0.000 2.007 446 K HA -0.211 nan 4.320 nan 0.000 0.206 446 K C 0.367 177.063 176.600 0.161 0.000 1.047 446 K CA 1.658 58.023 56.287 0.131 0.000 0.937 446 K CB 0.487 33.121 32.500 0.223 0.000 0.718 446 K HN 0.937 9.880 8.250 0.068 -0.652 0.438 447 R N -0.124 120.434 120.500 0.095 0.000 2.370 447 R HA -0.019 nan 4.340 nan 0.000 0.309 447 R C 1.018 177.316 176.300 -0.004 0.000 1.059 447 R CA -0.043 56.042 56.100 -0.025 0.000 0.981 447 R CB 0.129 30.144 30.300 -0.476 0.000 0.972 447 R HN -0.518 7.769 8.270 0.028 0.000 0.437 448 A N 7.817 130.672 122.820 0.059 0.000 1.972 448 A HA -0.224 nan 4.320 nan 0.000 0.219 448 A C 1.362 178.982 177.584 0.059 0.000 1.169 448 A CA 3.110 55.189 52.037 0.069 0.000 0.635 448 A CB -0.555 18.515 19.000 0.117 0.000 0.810 448 A HN 1.413 9.499 8.150 0.114 0.131 0.446 449 A N -3.286 119.545 122.820 0.018 0.000 2.216 449 A HA -0.176 nan 4.320 nan 0.000 0.214 449 A C 0.439 178.013 177.584 -0.015 0.000 1.160 449 A CA 2.130 54.170 52.037 0.005 0.000 0.725 449 A CB -0.595 18.384 19.000 -0.034 0.000 0.784 449 A HN 0.422 8.554 8.150 -0.013 0.010 0.472 450 D N -3.659 116.723 120.400 -0.030 0.000 2.379 450 D HA 0.204 nan 4.640 nan 0.000 0.208 450 D C -0.063 176.229 176.300 -0.013 0.000 1.065 450 D CA 0.314 54.294 54.000 -0.033 0.000 0.848 450 D CB 0.760 41.527 40.800 -0.055 0.000 0.949 450 D HN 0.139 8.315 8.370 -0.033 0.175 0.509 451 N N -0.979 117.719 118.700 -0.002 0.000 2.485 451 N HA 0.243 nan 4.740 nan 0.000 0.280 451 N C -1.195 174.311 175.510 -0.007 0.000 1.205 451 N CA -0.290 52.755 53.050 -0.007 0.000 0.959 451 N CB 1.854 40.332 38.487 -0.015 0.000 1.206 451 N HN -0.505 7.762 8.380 0.008 0.118 0.545 452 K N 0.976 121.366 120.400 -0.017 0.000 2.248 452 K HA 0.147 nan 4.320 nan 0.000 0.281 452 K C -0.793 175.782 176.600 -0.042 0.000 1.054 452 K CA -1.014 55.266 56.287 -0.012 0.000 0.903 452 K CB 1.056 33.552 32.500 -0.007 0.000 1.077 452 K HN 0.625 8.866 8.250 -0.016 0.000 0.474 453 S N 6.383 122.075 115.700 -0.013 0.000 2.437 453 S HA 0.107 nan 4.470 nan 0.000 0.304 453 S C 0.441 175.041 174.600 -0.000 0.000 1.167 453 S CA 0.452 58.640 58.200 -0.020 0.000 1.106 453 S CB -0.475 62.847 63.200 0.204 0.000 1.099 453 S HN 0.701 9.030 8.310 0.031 0.000 0.524 454 L N 7.452 128.652 121.223 -0.039 0.000 2.131 454 L HA -0.015 nan 4.340 nan 0.000 0.206 454 L C -0.316 176.567 176.870 0.022 0.000 1.087 454 L CA 0.735 55.572 54.840 -0.005 0.000 0.767 454 L CB 0.837 42.890 42.059 -0.008 0.000 0.917 454 L HN 0.333 8.509 8.230 -0.091 0.000 0.441 455 G N -5.721 103.109 108.800 0.051 0.000 2.368 455 G HA2 0.185 nan 3.960 nan 0.000 0.293 455 G HA3 0.185 nan 3.960 nan 0.000 0.293 455 G C -3.683 171.336 174.900 0.199 0.000 1.467 455 G CA 0.077 45.242 45.100 0.108 0.000 0.804 455 G HN -0.810 7.490 8.290 0.017 0.000 0.535 456 Q N -2.186 117.745 119.800 0.219 0.000 2.462 456 Q HA 1.046 nan 4.340 nan 0.000 0.285 456 Q C -1.682 174.488 176.000 0.283 0.000 1.035 456 Q CA -1.506 54.434 55.803 0.229 0.000 0.799 456 Q CB 3.888 32.719 28.738 0.156 0.000 1.452 456 Q HN 0.180 8.557 8.270 0.178 0.000 0.404 457 F N -2.502 117.467 119.950 0.032 0.000 2.741 457 F HA 0.458 nan 4.527 nan 0.000 0.313 457 F C -2.702 173.107 175.800 0.015 0.000 1.153 457 F CA -1.276 56.733 58.000 0.015 0.000 0.931 457 F CB 2.422 41.426 39.000 0.006 0.000 1.335 457 F HN 0.799 9.025 8.300 -0.124 0.000 0.460 458 N N -0.659 118.085 118.700 0.073 0.000 2.404 458 N HA 0.759 nan 4.740 nan 0.000 0.297 458 N C -1.535 174.006 175.510 0.052 0.000 1.163 458 N CA -0.365 52.663 53.050 -0.037 0.000 0.864 458 N CB 2.457 40.956 38.487 0.019 0.000 1.247 458 N HN -0.009 8.542 8.380 0.284 0.000 0.510 459 L N 3.532 124.742 121.223 -0.022 0.000 2.406 459 L HA 0.398 nan 4.340 nan 0.000 0.270 459 L C -2.590 174.291 176.870 0.019 0.000 0.982 459 L CA -1.357 53.510 54.840 0.044 0.000 0.843 459 L CB 2.543 44.631 42.059 0.048 0.000 1.225 459 L HN 0.463 8.643 8.230 -0.083 0.000 0.412 460 D N 4.222 124.642 120.400 0.034 0.000 2.326 460 D HA 0.458 nan 4.640 nan 0.000 0.251 460 D C 0.435 176.751 176.300 0.026 0.000 1.023 460 D CA -1.525 52.488 54.000 0.022 0.000 0.966 460 D CB 1.388 42.202 40.800 0.022 0.000 1.156 460 D HN 0.017 8.416 8.370 0.050 0.000 0.494 461 G N -1.269 107.542 108.800 0.019 0.000 2.164 461 G HA2 -0.445 nan 3.960 nan 0.000 0.212 461 G HA3 -0.445 nan 3.960 nan 0.000 0.212 461 G C -0.771 174.141 174.900 0.021 0.000 1.031 461 G CA -0.084 45.027 45.100 0.020 0.000 0.730 461 G HN 0.424 8.722 8.290 0.014 0.000 0.501 462 I N -0.730 119.851 120.570 0.019 0.000 2.496 462 I HA -0.194 nan 4.170 nan 0.000 0.285 462 I C 0.348 176.475 176.117 0.018 0.000 1.080 462 I CA 0.596 61.908 61.300 0.020 0.000 1.404 462 I CB 0.615 38.627 38.000 0.020 0.000 1.403 462 I HN -0.113 7.980 8.210 0.016 0.126 0.539 463 N N 7.532 126.244 118.700 0.019 0.000 2.415 463 N HA 0.122 nan 4.740 nan 0.000 0.248 463 N C -1.630 173.890 175.510 0.017 0.000 1.271 463 N CA -1.095 51.966 53.050 0.017 0.000 0.913 463 N CB 0.180 38.678 38.487 0.018 0.000 1.129 463 N HN 0.046 8.439 8.380 0.022 0.000 0.444 464 P HA -0.010 nan 4.420 nan 0.000 0.241 464 P C -1.851 175.460 177.300 0.019 0.000 1.760 464 P CA 0.087 63.196 63.100 0.016 0.000 1.081 464 P CB -1.347 30.361 31.700 0.014 0.000 1.975 465 A N 5.031 127.864 122.820 0.022 0.000 2.269 465 A HA 0.425 nan 4.320 nan 0.000 0.319 465 A C -2.459 175.144 177.584 0.032 0.000 1.110 465 A CA -2.481 49.571 52.037 0.026 0.000 0.847 465 A CB 0.028 19.044 19.000 0.027 0.000 1.161 465 A HN 0.335 8.450 8.150 0.021 0.047 0.497 466 P HA 0.472 nan 4.420 nan 0.000 0.276 466 P C -1.137 176.197 177.300 0.058 0.000 1.244 466 P CA -1.080 62.056 63.100 0.061 0.000 0.801 466 P CB 0.495 32.239 31.700 0.074 0.000 1.006 467 R N 0.849 121.383 120.500 0.057 0.000 2.679 467 R HA -0.248 nan 4.340 nan 0.000 0.269 467 R C 0.828 177.170 176.300 0.071 0.000 1.076 467 R CA 0.609 56.725 56.100 0.027 0.000 1.160 467 R CB 0.104 30.362 30.300 -0.071 0.000 1.054 467 R HN 0.847 9.779 8.270 0.055 -0.629 0.507 468 G N 3.441 112.277 108.800 0.060 0.000 2.284 468 G HA2 -0.411 nan 3.960 nan 0.000 0.230 468 G HA3 -0.411 nan 3.960 nan 0.000 0.230 468 G C -0.047 174.888 174.900 0.058 0.000 1.021 468 G CA 0.513 45.658 45.100 0.075 0.000 0.619 468 G HN 0.280 8.596 8.290 0.044 0.000 0.510 469 M N 0.360 119.991 119.600 0.053 0.000 2.429 469 M HA 0.254 nan 4.480 nan 0.000 0.265 469 M C -1.774 174.549 176.300 0.039 0.000 1.120 469 M CA -0.104 55.222 55.300 0.043 0.000 1.173 469 M CB -1.530 31.095 32.600 0.042 0.000 1.343 469 M HN -0.384 7.852 8.290 0.054 0.086 0.464 470 P HA -0.033 nan 4.420 nan 0.000 0.266 470 P C -1.301 176.027 177.300 0.048 0.000 1.215 470 P CA -0.066 63.058 63.100 0.040 0.000 0.763 470 P CB -0.041 31.683 31.700 0.039 0.000 0.806 471 Q N 5.521 125.347 119.800 0.043 0.000 2.490 471 Q HA 0.237 nan 4.340 nan 0.000 0.226 471 Q C -1.027 175.009 176.000 0.060 0.000 1.132 471 Q CA -0.395 55.434 55.803 0.043 0.000 0.928 471 Q CB 0.013 28.769 28.738 0.030 0.000 1.299 471 Q HN 0.462 8.754 8.270 0.038 0.000 0.528 472 I N 5.476 126.098 120.570 0.087 0.000 2.307 472 I HA 0.338 nan 4.170 nan 0.000 0.289 472 I C -1.447 174.760 176.117 0.150 0.000 1.021 472 I CA -2.405 58.966 61.300 0.117 0.000 1.224 472 I CB -0.663 37.416 38.000 0.131 0.000 1.376 472 I HN 0.950 9.130 8.210 0.095 0.087 0.470 473 E N 8.527 128.805 120.200 0.130 0.000 2.283 473 E HA 0.525 nan 4.350 nan 0.000 0.278 473 E C -1.735 174.992 176.600 0.212 0.000 1.027 473 E CA -0.666 55.818 56.400 0.140 0.000 0.843 473 E CB 2.051 31.812 29.700 0.101 0.000 1.062 473 E HN 0.999 9.320 8.360 0.115 0.108 0.401 474 V N 7.372 127.459 119.914 0.288 0.000 2.487 474 V HA 0.658 nan 4.120 nan 0.000 0.298 474 V C -1.639 174.663 176.094 0.348 0.000 1.028 474 V CA -1.078 61.438 62.300 0.359 0.000 0.860 474 V CB 2.173 34.283 31.823 0.480 0.000 0.991 474 V HN 0.933 9.289 8.190 0.277 0.000 0.427 475 T N 8.988 123.742 114.554 0.334 0.000 2.841 475 T HA 0.801 nan 4.350 nan 0.000 0.283 475 T C -2.040 172.890 174.700 0.384 0.000 1.000 475 T CA -0.957 61.329 62.100 0.310 0.000 0.977 475 T CB 2.311 71.289 68.868 0.183 0.000 0.979 475 T HN 1.139 9.445 8.240 0.298 0.113 0.446 476 F N 5.459 125.494 119.950 0.141 0.000 2.467 476 F HA 0.697 nan 4.527 nan 0.000 0.336 476 F C -2.395 173.473 175.800 0.114 0.000 1.123 476 F CA -2.191 55.888 58.000 0.132 0.000 0.964 476 F CB 3.237 42.320 39.000 0.137 0.000 1.136 476 F HN 1.020 9.625 8.300 0.510 0.000 0.447 477 D N 3.962 124.478 120.400 0.192 0.000 2.696 477 D HA 0.673 nan 4.640 nan 0.000 0.251 477 D C -1.907 174.490 176.300 0.162 0.000 1.188 477 D CA -1.096 52.996 54.000 0.153 0.000 0.876 477 D CB 2.788 43.658 40.800 0.115 0.000 1.334 477 D HN 0.867 9.294 8.370 0.095 0.000 0.540 478 I N 4.557 125.209 120.570 0.138 0.000 2.362 478 I HA 0.590 nan 4.170 nan 0.000 0.289 478 I C -1.222 174.958 176.117 0.106 0.000 0.994 478 I CA -1.461 59.904 61.300 0.108 0.000 1.158 478 I CB 1.861 39.916 38.000 0.091 0.000 1.315 478 I HN 0.753 9.031 8.210 0.115 0.000 0.451 479 D N 7.180 127.660 120.400 0.134 0.000 2.478 479 D HA 0.142 nan 4.640 nan 0.000 0.269 479 D C 0.319 176.658 176.300 0.066 0.000 1.232 479 D CA -0.981 53.089 54.000 0.115 0.000 1.059 479 D CB 0.784 41.694 40.800 0.182 0.000 1.104 479 D HN 0.545 8.990 8.370 0.125 0.000 0.566 480 A N -1.771 121.079 122.820 0.051 0.000 2.251 480 A HA -0.028 nan 4.320 nan 0.000 0.209 480 A C 0.194 177.794 177.584 0.028 0.000 1.187 480 A CA 1.971 54.028 52.037 0.033 0.000 0.823 480 A CB -0.300 18.715 19.000 0.025 0.000 0.846 480 A HN 0.415 8.598 8.150 0.055 0.000 0.486 481 D N -2.917 117.503 120.400 0.033 0.000 2.349 481 D HA 0.108 nan 4.640 nan 0.000 0.214 481 D C 0.424 176.730 176.300 0.010 0.000 1.063 481 D CA 0.109 54.122 54.000 0.021 0.000 0.847 481 D CB 0.736 41.551 40.800 0.025 0.000 0.933 481 D HN -0.103 8.606 8.370 0.049 -0.310 0.513 482 G N -1.528 107.280 108.800 0.013 0.000 2.157 482 G HA2 -0.371 nan 3.960 nan 0.000 0.248 482 G HA3 -0.371 nan 3.960 nan 0.000 0.248 482 G C -0.462 174.419 174.900 -0.031 0.000 0.979 482 G CA 0.055 45.156 45.100 0.001 0.000 0.650 482 G HN -0.536 7.667 8.290 0.026 0.103 0.529 483 I N 0.698 121.238 120.570 -0.050 0.000 2.474 483 I HA -0.101 nan 4.170 nan 0.000 0.287 483 I C -1.480 174.445 176.117 -0.319 0.000 1.048 483 I CA 0.168 61.362 61.300 -0.177 0.000 1.383 483 I CB 0.657 38.562 38.000 -0.158 0.000 1.412 483 I HN -0.636 7.716 8.210 -0.006 -0.145 0.531 484 L N 8.034 129.032 121.223 -0.374 0.000 2.275 484 L HA 0.571 nan 4.340 nan 0.000 0.288 484 L C -2.303 174.243 176.870 -0.540 0.000 1.046 484 L CA -1.181 53.477 54.840 -0.305 0.000 0.805 484 L CB 1.682 43.648 42.059 -0.156 0.000 1.193 484 L HN 0.793 8.835 8.230 -0.315 0.000 0.426 485 H N 7.012 126.015 119.070 -0.112 0.000 2.589 485 H HA 0.593 nan 4.556 nan 0.000 0.335 485 H C -1.746 173.445 175.328 -0.229 0.000 1.019 485 H CA -1.332 54.627 56.048 -0.149 0.000 1.213 485 H CB 2.422 32.125 29.762 -0.098 0.000 1.472 485 H HN 1.178 9.313 8.280 -0.059 0.109 0.508 486 V N 4.546 124.323 119.914 -0.228 0.000 2.555 486 V HA 0.640 nan 4.120 nan 0.000 0.302 486 V C -1.570 174.422 176.094 -0.170 0.000 1.038 486 V CA -1.287 60.809 62.300 -0.340 0.000 0.887 486 V CB 2.143 33.658 31.823 -0.513 0.000 0.991 486 V HN 1.016 9.061 8.190 -0.241 0.000 0.434 487 S N 4.949 120.647 115.700 -0.003 0.000 2.541 487 S HA 0.936 nan 4.470 nan 0.000 0.280 487 S C -2.316 172.427 174.600 0.238 0.000 1.112 487 S CA -1.560 56.682 58.200 0.070 0.000 0.925 487 S CB 3.338 66.558 63.200 0.032 0.000 1.067 487 S HN 1.008 9.335 8.310 0.027 0.000 0.479 488 A N 1.037 124.054 122.820 0.328 0.000 2.414 488 A HA 0.995 nan 4.320 nan 0.000 0.306 488 A C -3.079 174.629 177.584 0.208 0.000 1.054 488 A CA -1.285 50.927 52.037 0.291 0.000 0.724 488 A CB 3.226 22.399 19.000 0.288 0.000 1.267 488 A HN 1.043 9.398 8.150 0.341 0.000 0.418 489 K N 1.311 121.804 120.400 0.154 0.000 2.523 489 K HA 0.585 nan 4.320 nan 0.000 0.257 489 K C -2.766 173.891 176.600 0.095 0.000 0.932 489 K CA -1.164 55.190 56.287 0.112 0.000 0.812 489 K CB 4.489 37.044 32.500 0.092 0.000 1.326 489 K HN 0.929 9.163 8.250 0.159 0.111 0.433 490 D N 4.796 125.241 120.400 0.075 0.000 2.277 490 D HA 0.235 nan 4.640 nan 0.000 0.249 490 D C 0.649 176.980 176.300 0.052 0.000 1.134 490 D CA -1.123 52.913 54.000 0.061 0.000 0.863 490 D CB 1.033 41.864 40.800 0.051 0.000 1.143 490 D HN 0.141 8.555 8.370 0.072 0.000 0.458 491 K N 6.986 127.414 120.400 0.047 0.000 2.432 491 K HA -0.195 nan 4.320 nan 0.000 0.196 491 K C 0.796 177.414 176.600 0.031 0.000 1.038 491 K CA 1.515 57.825 56.287 0.038 0.000 0.986 491 K CB 0.226 32.746 32.500 0.034 0.000 0.782 491 K HN 0.527 8.808 8.250 0.052 0.000 0.485 492 N N -0.598 118.121 118.700 0.031 0.000 2.148 492 N HA -0.133 nan 4.740 nan 0.000 0.186 492 N C 1.561 177.086 175.510 0.025 0.000 1.031 492 N CA 2.355 55.420 53.050 0.026 0.000 0.848 492 N CB 0.585 39.088 38.487 0.026 0.000 1.005 492 N HN 0.093 9.055 8.380 0.035 -0.561 0.427 493 S N -3.318 112.398 115.700 0.027 0.000 2.470 493 S HA 0.220 nan 4.470 nan 0.000 0.222 493 S C 1.545 176.161 174.600 0.026 0.000 1.024 493 S CA 0.429 58.644 58.200 0.025 0.000 0.931 493 S CB 1.780 64.995 63.200 0.026 0.000 0.791 493 S HN 0.454 9.472 8.310 0.031 -0.690 0.513 494 G N 2.069 110.887 108.800 0.030 0.000 2.175 494 G HA2 -0.427 nan 3.960 nan 0.000 0.244 494 G HA3 -0.427 nan 3.960 nan 0.000 0.244 494 G C -1.439 173.482 174.900 0.035 0.000 0.982 494 G CA -0.228 44.891 45.100 0.031 0.000 0.641 494 G HN -0.048 8.262 8.290 0.034 0.000 0.527 495 K N 2.240 122.663 120.400 0.038 0.000 2.378 495 K HA -0.093 nan 4.320 nan 0.000 0.288 495 K C -1.088 175.546 176.600 0.058 0.000 1.057 495 K CA 0.217 56.529 56.287 0.043 0.000 0.971 495 K CB 0.509 33.034 32.500 0.041 0.000 0.975 495 K HN -0.575 7.667 8.250 0.038 0.031 0.475 496 E N 5.806 126.039 120.200 0.056 0.000 2.248 496 E HA 0.463 nan 4.350 nan 0.000 0.272 496 E C -0.963 175.688 176.600 0.084 0.000 1.008 496 E CA -0.632 55.809 56.400 0.069 0.000 0.856 496 E CB 1.802 31.527 29.700 0.042 0.000 1.120 496 E HN 0.263 8.649 8.360 0.043 0.000 0.397 497 Q N 2.540 122.421 119.800 0.135 0.000 2.462 497 Q HA 0.416 nan 4.340 nan 0.000 0.285 497 Q C -2.275 173.725 176.000 -0.000 0.000 1.035 497 Q CA -1.804 54.079 55.803 0.133 0.000 0.799 497 Q CB 5.022 33.936 28.738 0.293 0.000 1.452 497 Q HN 0.856 9.233 8.270 0.179 0.000 0.404 498 K N -0.605 119.572 120.400 -0.371 0.000 2.444 498 K HA 0.937 nan 4.320 nan 0.000 0.252 498 K C -1.611 174.318 176.600 -1.118 0.000 0.993 498 K CA -1.344 54.557 56.287 -0.642 0.000 0.847 498 K CB 3.609 35.937 32.500 -0.287 0.000 1.340 498 K HN 0.140 8.212 8.250 -0.296 0.000 0.446 499 I N -0.431 119.608 120.570 -0.884 0.000 2.841 499 I HA 0.271 nan 4.170 nan 0.000 0.298 499 I C -2.515 173.441 176.117 -0.269 0.000 1.304 499 I CA -1.080 59.913 61.300 -0.511 0.000 1.019 499 I CB 4.380 42.115 38.000 -0.440 0.000 1.282 499 I HN 0.778 8.462 8.210 -0.704 0.104 0.432 500 T N 8.889 123.346 114.554 -0.161 0.000 2.824 500 T HA 0.764 nan 4.350 nan 0.000 0.282 500 T C -1.121 173.486 174.700 -0.155 0.000 0.993 500 T CA -0.565 61.455 62.100 -0.134 0.000 0.967 500 T CB 0.681 69.554 68.868 0.009 0.000 0.960 500 T HN -0.033 8.122 8.240 -0.142 0.000 0.441 501 I N 6.514 126.955 120.570 -0.215 0.000 2.608 501 I HA 0.328 nan 4.170 nan 0.000 0.295 501 I C -1.665 174.356 176.117 -0.160 0.000 1.049 501 I CA -1.109 60.103 61.300 -0.148 0.000 1.063 501 I CB 4.523 42.449 38.000 -0.123 0.000 1.248 501 I HN 1.174 9.076 8.210 -0.322 0.115 0.424 502 K N 4.606 124.947 120.400 -0.098 0.000 2.126 502 K HA 0.126 nan 4.320 nan 0.000 0.257 502 K C 1.127 177.686 176.600 -0.068 0.000 1.007 502 K CA -0.215 56.022 56.287 -0.083 0.000 0.928 502 K CB 0.647 33.117 32.500 -0.050 0.000 1.013 502 K HN -0.115 8.091 8.250 -0.074 0.000 0.473 503 A N 2.372 125.158 122.820 -0.056 0.000 2.070 503 A HA -0.138 nan 4.320 nan 0.000 0.220 503 A C 0.490 178.060 177.584 -0.023 0.000 1.159 503 A CA 2.590 54.606 52.037 -0.036 0.000 0.656 503 A CB -0.812 18.173 19.000 -0.025 0.000 0.800 503 A HN 0.607 8.725 8.150 -0.052 0.000 0.453 504 S N -5.818 109.869 115.700 -0.023 0.000 2.597 504 S HA 0.136 nan 4.470 nan 0.000 0.224 504 S C 0.074 174.664 174.600 -0.016 0.000 0.955 504 S CA -0.305 57.885 58.200 -0.016 0.000 0.933 504 S CB -0.408 62.783 63.200 -0.014 0.000 0.788 504 S HN -0.182 8.093 8.310 -0.028 0.019 0.488 505 S N 2.682 118.369 115.700 -0.022 0.000 2.616 505 S HA 0.206 nan 4.470 nan 0.000 0.277 505 S C -0.310 174.284 174.600 -0.012 0.000 1.234 505 S CA 0.436 58.625 58.200 -0.018 0.000 1.028 505 S CB 0.991 64.175 63.200 -0.027 0.000 0.988 505 S HN -0.240 7.858 8.310 -0.030 0.194 0.522 506 G N 0.676 109.472 108.800 -0.006 0.000 2.482 506 G HA2 -0.292 nan 3.960 nan 0.000 0.214 506 G HA3 -0.292 nan 3.960 nan 0.000 0.214 506 G C -1.516 173.383 174.900 -0.001 0.000 1.271 506 G CA -0.612 44.486 45.100 -0.003 0.000 0.944 506 G HN -0.140 8.146 8.290 -0.005 0.000 0.568 507 L N 3.229 124.452 121.223 0.000 0.000 2.367 507 L HA -0.122 nan 4.340 nan 0.000 0.275 507 L C -0.583 176.287 176.870 0.000 0.000 1.129 507 L CA 0.157 54.997 54.840 0.000 0.000 0.839 507 L CB 0.250 42.309 42.059 0.001 0.000 1.133 507 L HN 0.496 9.221 8.230 0.002 -0.494 0.453 508 N N 4.699 123.398 118.700 -0.001 0.000 2.379 508 N HA 0.001 nan 4.740 nan 0.000 0.260 508 N C 0.405 175.915 175.510 -0.000 0.000 1.254 508 N CA -1.053 51.997 53.050 -0.001 0.000 0.958 508 N CB 1.336 39.822 38.487 -0.002 0.000 1.208 508 N HN 0.842 9.838 8.380 -0.001 -0.616 0.532 509 E N -0.919 119.281 120.200 -0.001 0.000 2.086 509 E HA -0.478 nan 4.350 nan 0.000 0.200 509 E C 2.309 178.909 176.600 -0.000 0.000 1.012 509 E CA 4.410 60.810 56.400 -0.000 0.000 0.812 509 E CB -0.337 29.363 29.700 -0.001 0.000 0.743 509 E HN 0.508 8.868 8.360 -0.001 0.000 0.453 510 D N -2.241 118.158 120.400 -0.001 0.000 2.213 510 D HA -0.058 nan 4.640 nan 0.000 0.205 510 D C 2.163 178.462 176.300 -0.001 0.000 0.961 510 D CA 2.735 56.734 54.000 -0.001 0.000 0.853 510 D CB 0.288 41.087 40.800 -0.002 0.000 0.967 510 D HN 0.123 8.746 8.370 -0.001 -0.253 0.496 511 E N 0.748 120.947 120.200 -0.001 0.000 2.106 511 E HA -0.274 nan 4.350 nan 0.000 0.192 511 E C 2.605 179.205 176.600 -0.001 0.000 0.984 511 E CA 2.812 59.211 56.400 -0.001 0.000 0.806 511 E CB 0.076 29.776 29.700 -0.001 0.000 0.750 511 E HN -0.789 7.661 8.360 -0.001 -0.091 0.458 512 I N 0.370 120.940 120.570 -0.000 0.000 2.179 512 I HA -0.547 nan 4.170 nan 0.000 0.242 512 I C 1.947 178.065 176.117 0.000 0.000 1.088 512 I CA 4.177 65.477 61.300 0.001 0.000 1.357 512 I CB -0.206 37.795 38.000 0.002 0.000 1.051 512 I HN 0.663 8.687 8.210 0.000 0.186 0.409 513 Q N -1.591 118.209 119.800 0.000 0.000 2.061 513 Q HA -0.419 nan 4.340 nan 0.000 0.204 513 Q C 2.207 178.206 176.000 -0.001 0.000 0.984 513 Q CA 3.430 59.233 55.803 -0.000 0.000 0.846 513 Q CB -0.392 28.346 28.738 -0.001 0.000 0.902 513 Q HN -0.174 7.996 8.270 -0.000 0.100 0.421 514 K N -0.055 120.344 120.400 -0.002 0.000 2.020 514 K HA -0.382 nan 4.320 nan 0.000 0.212 514 K C 2.272 178.870 176.600 -0.002 0.000 1.050 514 K CA 3.243 59.529 56.287 -0.002 0.000 0.929 514 K CB -0.196 32.303 32.500 -0.003 0.000 0.714 514 K HN -0.279 7.781 8.250 -0.001 0.189 0.443 515 M N -0.751 118.847 119.600 -0.002 0.000 2.144 515 M HA -0.343 nan 4.480 nan 0.000 0.260 515 M C 2.029 178.329 176.300 -0.001 0.000 1.067 515 M CA 2.793 58.092 55.300 -0.002 0.000 1.095 515 M CB -0.655 31.944 32.600 -0.001 0.000 1.365 515 M HN -0.147 7.964 8.290 -0.002 0.178 0.406 516 V N -0.444 119.470 119.914 -0.000 0.000 2.295 516 V HA -0.566 nan 4.120 nan 0.000 0.246 516 V C 2.211 178.305 176.094 0.000 0.000 1.049 516 V CA 4.324 66.624 62.300 0.000 0.000 1.024 516 V CB -1.130 30.693 31.823 0.001 0.000 0.648 516 V HN -0.302 7.755 8.190 -0.000 0.134 0.447 517 R N -1.606 118.894 120.500 -0.001 0.000 2.081 517 R HA -0.406 nan 4.340 nan 0.000 0.235 517 R C 2.321 178.621 176.300 -0.001 0.000 1.131 517 R CA 3.601 59.701 56.100 -0.001 0.000 0.960 517 R CB -0.433 29.866 30.300 -0.001 0.000 0.856 517 R HN -0.019 8.193 8.270 -0.001 0.058 0.436 518 D N -0.606 119.792 120.400 -0.002 0.000 2.092 518 D HA -0.255 nan 4.640 nan 0.000 0.193 518 D C 2.000 178.299 176.300 -0.002 0.000 0.994 518 D CA 3.743 57.741 54.000 -0.004 0.000 0.828 518 D CB 0.312 41.109 40.800 -0.006 0.000 0.963 518 D HN 0.383 8.560 8.370 -0.002 0.191 0.450 519 A N -1.678 121.142 122.820 -0.000 0.000 1.968 519 A HA -0.140 nan 4.320 nan 0.000 0.217 519 A C 1.286 178.873 177.584 0.005 0.000 1.169 519 A CA 2.472 54.511 52.037 0.003 0.000 0.638 519 A CB -0.416 18.586 19.000 0.003 0.000 0.812 519 A HN -0.067 7.977 8.150 -0.000 0.106 0.446 520 E N -2.089 118.113 120.200 0.003 0.000 2.112 520 E HA -0.105 nan 4.350 nan 0.000 0.190 520 E C 2.102 178.704 176.600 0.004 0.000 0.979 520 E CA 1.911 58.312 56.400 0.003 0.000 0.814 520 E CB 0.265 29.966 29.700 0.002 0.000 0.762 520 E HN -0.397 7.834 8.360 0.002 0.130 0.460 521 A N -0.813 122.008 122.820 0.002 0.000 1.930 521 A HA -0.044 nan 4.320 nan 0.000 0.215 521 A C 1.574 179.160 177.584 0.004 0.000 1.176 521 A CA 2.412 54.450 52.037 0.002 0.000 0.632 521 A CB -0.018 18.982 19.000 0.000 0.000 0.819 521 A HN -0.284 7.770 8.150 0.001 0.097 0.445 522 N N -2.143 116.559 118.700 0.004 0.000 2.314 522 N HA 0.030 nan 4.740 nan 0.000 0.200 522 N C 0.195 175.714 175.510 0.015 0.000 1.135 522 N CA 0.581 53.635 53.050 0.006 0.000 0.835 522 N CB 0.290 38.776 38.487 -0.000 0.000 0.989 522 N HN -0.117 8.265 8.380 0.003 0.000 0.478 523 A N 0.589 123.417 122.820 0.014 0.000 1.917 523 A HA -0.329 nan 4.320 nan 0.000 0.219 523 A C 1.791 179.390 177.584 0.025 0.000 1.182 523 A CA 3.465 55.514 52.037 0.019 0.000 0.633 523 A CB -0.604 18.404 19.000 0.013 0.000 0.819 523 A HN -0.206 7.879 8.150 0.011 0.071 0.448 524 E N -2.012 118.201 120.200 0.021 0.000 2.106 524 E HA -0.317 nan 4.350 nan 0.000 0.192 524 E C 2.197 178.818 176.600 0.034 0.000 0.984 524 E CA 2.483 58.897 56.400 0.023 0.000 0.806 524 E CB -0.177 29.533 29.700 0.017 0.000 0.750 524 E HN 0.346 8.716 8.360 0.016 0.000 0.458 525 A N -0.324 122.515 122.820 0.033 0.000 1.930 525 A HA -0.164 nan 4.320 nan 0.000 0.215 525 A C 2.160 179.790 177.584 0.076 0.000 1.176 525 A CA 2.661 54.723 52.037 0.041 0.000 0.632 525 A CB -0.395 18.617 19.000 0.019 0.000 0.819 525 A HN -0.330 7.691 8.150 0.026 0.144 0.445 526 D N -1.132 119.311 120.400 0.072 0.000 2.117 526 D HA -0.201 nan 4.640 nan 0.000 0.198 526 D C 2.051 178.437 176.300 0.143 0.000 0.982 526 D CA 3.568 57.639 54.000 0.118 0.000 0.828 526 D CB 0.025 40.873 40.800 0.081 0.000 0.967 526 D HN 0.303 8.594 8.370 0.049 0.107 0.464 527 R N -0.489 120.060 120.500 0.080 0.000 2.105 527 R HA -0.348 nan 4.340 nan 0.000 0.239 527 R C 2.074 178.409 176.300 0.058 0.000 1.135 527 R CA 3.340 59.473 56.100 0.056 0.000 0.967 527 R CB -0.032 30.287 30.300 0.031 0.000 0.861 527 R HN 0.217 8.419 8.270 0.059 0.104 0.442 528 K N -3.897 116.549 120.400 0.077 0.000 2.280 528 K HA -0.306 nan 4.320 nan 0.000 0.202 528 K C 0.662 177.329 176.600 0.113 0.000 1.047 528 K CA 2.537 58.868 56.287 0.074 0.000 0.942 528 K CB -0.105 32.437 32.500 0.069 0.000 0.739 528 K HN -0.580 7.605 8.250 0.082 0.115 0.457 529 F N -2.295 117.656 119.950 0.001 0.000 2.188 529 F HA -0.036 nan 4.527 nan 0.000 0.289 529 F C 1.247 177.048 175.800 0.002 0.000 1.082 529 F CA 1.765 59.766 58.000 0.001 0.000 1.282 529 F CB 1.255 40.256 39.000 0.001 0.000 1.060 529 F HN -0.763 7.555 8.300 0.271 0.144 0.493 530 D N 0.567 120.913 120.400 -0.090 0.000 2.158 530 D HA -0.380 nan 4.640 nan 0.000 0.197 530 D C 1.735 177.922 176.300 -0.188 0.000 0.995 530 D CA 3.609 57.500 54.000 -0.183 0.000 0.846 530 D CB -0.103 40.677 40.800 -0.033 0.000 0.941 530 D HN 0.515 8.861 8.370 0.132 0.103 0.456 531 E N -2.420 117.715 120.200 -0.107 0.000 2.478 531 E HA -0.179 nan 4.350 nan 0.000 0.198 531 E C 1.462 178.000 176.600 -0.104 0.000 1.046 531 E CA 1.816 58.166 56.400 -0.084 0.000 0.870 531 E CB -0.145 29.532 29.700 -0.038 0.000 0.818 531 E HN 0.179 8.400 8.360 -0.053 0.107 0.527 532 L N -0.550 120.569 121.223 -0.173 0.000 2.286 532 L HA 0.052 nan 4.340 nan 0.000 0.203 532 L C 0.974 177.701 176.870 -0.238 0.000 1.068 532 L CA 2.334 57.073 54.840 -0.169 0.000 0.811 532 L CB 1.017 42.996 42.059 -0.134 0.000 0.989 532 L HN -0.107 7.795 8.230 -0.241 0.183 0.467 533 V N 0.942 120.599 119.914 -0.429 0.000 2.332 533 V HA -0.555 nan 4.120 nan 0.000 0.248 533 V C 2.247 178.230 176.094 -0.186 0.000 1.055 533 V CA 4.461 66.537 62.300 -0.373 0.000 1.038 533 V CB -1.078 30.453 31.823 -0.486 0.000 0.651 533 V HN 0.062 7.825 8.190 -0.557 0.093 0.450 534 Q N -1.721 117.984 119.800 -0.157 0.000 2.061 534 Q HA -0.304 nan 4.340 nan 0.000 0.204 534 Q C 2.187 178.147 176.000 -0.067 0.000 0.984 534 Q CA 3.445 59.193 55.803 -0.092 0.000 0.846 534 Q CB -0.659 28.033 28.738 -0.078 0.000 0.902 534 Q HN -0.005 8.154 8.270 -0.186 0.000 0.421 535 T N 2.366 116.878 114.554 -0.070 0.000 2.812 535 T HA -0.261 nan 4.350 nan 0.000 0.264 535 T C 2.362 177.043 174.700 -0.031 0.000 1.042 535 T CA 4.329 66.404 62.100 -0.042 0.000 1.140 535 T CB -0.655 68.190 68.868 -0.038 0.000 0.870 535 T HN -0.236 7.864 8.240 -0.091 0.086 0.445 536 R N 1.130 121.600 120.500 -0.049 0.000 2.091 536 R HA -0.433 nan 4.340 nan 0.000 0.238 536 R C 2.399 178.694 176.300 -0.009 0.000 1.136 536 R CA 3.958 60.041 56.100 -0.028 0.000 0.959 536 R CB -0.250 30.024 30.300 -0.042 0.000 0.856 536 R HN 0.452 8.485 8.270 -0.082 0.187 0.437 537 N N -0.602 118.087 118.700 -0.019 0.000 2.270 537 N HA -0.162 nan 4.740 nan 0.000 0.181 537 N C 2.489 178.022 175.510 0.038 0.000 1.016 537 N CA 2.599 55.652 53.050 0.006 0.000 0.870 537 N CB -0.662 37.820 38.487 -0.009 0.000 0.979 537 N HN -0.291 7.932 8.380 -0.041 0.133 0.431 538 Q N 0.608 120.420 119.800 0.021 0.000 2.084 538 Q HA -0.249 nan 4.340 nan 0.000 0.202 538 Q C 2.484 178.533 176.000 0.082 0.000 0.978 538 Q CA 3.154 58.984 55.803 0.043 0.000 0.844 538 Q CB -0.095 28.651 28.738 0.014 0.000 0.898 538 Q HN -0.158 8.021 8.270 -0.003 0.089 0.426 539 G N -1.170 107.659 108.800 0.048 0.000 2.408 539 G HA2 -0.349 nan 3.960 nan 0.000 0.217 539 G HA3 -0.349 nan 3.960 nan 0.000 0.217 539 G C 0.667 175.603 174.900 0.059 0.000 1.150 539 G CA 1.488 46.616 45.100 0.046 0.000 0.776 539 G HN 0.046 8.233 8.290 0.028 0.119 0.542 540 D N 1.937 122.376 120.400 0.065 0.000 2.097 540 D HA -0.349 nan 4.640 nan 0.000 0.195 540 D C 1.425 177.796 176.300 0.118 0.000 0.989 540 D CA 3.814 57.857 54.000 0.071 0.000 0.827 540 D CB 0.158 40.989 40.800 0.052 0.000 0.966 540 D HN -0.121 8.204 8.370 0.054 0.077 0.456 541 H N 0.182 119.283 119.070 0.052 0.000 2.319 541 H HA -0.281 nan 4.556 nan 0.000 0.299 541 H C 2.066 177.437 175.328 0.072 0.000 1.092 541 H CA 3.586 59.680 56.048 0.076 0.000 1.302 541 H CB 0.633 30.423 29.762 0.048 0.000 1.373 541 H HN -0.508 7.816 8.280 0.218 0.086 0.497 542 L N -0.436 120.837 121.223 0.084 0.000 2.017 542 L HA -0.283 nan 4.340 nan 0.000 0.208 542 L C 1.903 178.756 176.870 -0.029 0.000 1.073 542 L CA 2.986 57.833 54.840 0.011 0.000 0.745 542 L CB -0.408 41.682 42.059 0.053 0.000 0.894 542 L HN -0.224 7.994 8.230 0.137 0.094 0.432 543 L N -1.514 119.718 121.223 0.015 0.000 2.013 543 L HA -0.477 nan 4.340 nan 0.000 0.212 543 L C 1.662 178.542 176.870 0.017 0.000 1.073 543 L CA 3.532 58.382 54.840 0.018 0.000 0.753 543 L CB -0.616 41.466 42.059 0.038 0.000 0.890 543 L HN 0.276 8.413 8.230 0.040 0.116 0.432 544 H N -1.593 117.432 119.070 -0.074 0.000 2.333 544 H HA -0.312 nan 4.556 nan 0.000 0.302 544 H C 2.303 177.558 175.328 -0.122 0.000 1.075 544 H CA 3.931 59.929 56.048 -0.085 0.000 1.348 544 H CB 0.695 30.410 29.762 -0.078 0.000 1.393 544 H HN 0.153 8.505 8.280 0.120 0.000 0.509 545 S N 0.040 115.534 115.700 -0.343 0.000 2.368 545 S HA -0.204 nan 4.470 nan 0.000 0.224 545 S C 2.377 176.834 174.600 -0.238 0.000 1.029 545 S CA 4.029 61.996 58.200 -0.388 0.000 0.988 545 S CB -0.286 62.653 63.200 -0.435 0.000 0.838 545 S HN 0.455 8.480 8.310 -0.295 0.107 0.462 546 T N 4.405 118.866 114.554 -0.155 0.000 2.915 546 T HA -0.218 nan 4.350 nan 0.000 0.269 546 T C 1.985 176.630 174.700 -0.091 0.000 1.071 546 T CA 4.150 66.192 62.100 -0.096 0.000 1.132 546 T CB -0.772 68.063 68.868 -0.056 0.000 0.878 546 T HN 0.555 8.598 8.240 -0.141 0.112 0.479 547 R N 0.606 121.043 120.500 -0.105 0.000 2.073 547 R HA -0.317 nan 4.340 nan 0.000 0.234 547 R C 2.077 178.315 176.300 -0.104 0.000 1.134 547 R CA 3.763 59.812 56.100 -0.085 0.000 0.952 547 R CB -0.199 30.061 30.300 -0.066 0.000 0.850 547 R HN -0.399 7.666 8.270 -0.128 0.128 0.433 548 K N -0.107 120.189 120.400 -0.172 0.000 2.167 548 K HA -0.236 nan 4.320 nan 0.000 0.203 548 K C 2.380 178.918 176.600 -0.104 0.000 1.052 548 K CA 2.911 59.108 56.287 -0.149 0.000 0.956 548 K CB -0.100 32.273 32.500 -0.213 0.000 0.735 548 K HN -0.519 7.456 8.250 -0.230 0.137 0.451 549 Q N -0.644 119.093 119.800 -0.106 0.000 2.226 549 Q HA -0.309 nan 4.340 nan 0.000 0.204 549 Q C 2.746 178.715 176.000 -0.052 0.000 0.975 549 Q CA 3.257 59.018 55.803 -0.071 0.000 0.866 549 Q CB -0.160 28.539 28.738 -0.066 0.000 0.915 549 Q HN 0.392 8.469 8.270 -0.135 0.112 0.440 550 V N 0.459 120.342 119.914 -0.052 0.000 2.283 550 V HA -0.397 nan 4.120 nan 0.000 0.243 550 V C 1.563 177.636 176.094 -0.035 0.000 1.039 550 V CA 4.416 66.694 62.300 -0.037 0.000 1.016 550 V CB -0.570 31.233 31.823 -0.033 0.000 0.650 550 V HN -0.323 7.697 8.190 -0.064 0.131 0.449 551 E N -0.974 119.201 120.200 -0.041 0.000 2.204 551 E HA -0.337 nan 4.350 nan 0.000 0.195 551 E C 2.393 178.975 176.600 -0.030 0.000 0.990 551 E CA 2.790 59.169 56.400 -0.034 0.000 0.821 551 E CB -0.297 29.381 29.700 -0.036 0.000 0.750 551 E HN -0.412 7.829 8.360 -0.054 0.087 0.477 552 E N -2.028 118.150 120.200 -0.036 0.000 2.152 552 E HA -0.178 nan 4.350 nan 0.000 0.192 552 E C 0.839 177.426 176.600 -0.022 0.000 0.983 552 E CA 1.491 57.873 56.400 -0.029 0.000 0.818 552 E CB 0.094 29.774 29.700 -0.034 0.000 0.758 552 E HN 0.400 8.625 8.360 -0.046 0.108 0.467 553 A N -1.700 121.106 122.820 -0.023 0.000 1.840 553 A HA -0.068 nan 4.320 nan 0.000 0.214 553 A C 0.899 178.474 177.584 -0.015 0.000 1.198 553 A CA 0.780 52.806 52.037 -0.018 0.000 0.608 553 A CB 0.503 19.492 19.000 -0.019 0.000 0.839 553 A HN -0.517 7.499 8.150 -0.028 0.118 0.443 554 G N -1.318 107.473 108.800 -0.015 0.000 2.583 554 G HA2 -0.533 nan 3.960 nan 0.000 0.292 554 G HA3 -0.533 nan 3.960 nan 0.000 0.292 554 G C -0.241 174.653 174.900 -0.010 0.000 1.203 554 G CA 1.237 46.329 45.100 -0.012 0.000 0.987 554 G HN 0.121 8.400 8.290 -0.018 0.000 0.554 555 D N 4.357 124.753 120.400 -0.008 0.000 2.392 555 D HA -0.073 nan 4.640 nan 0.000 0.228 555 D C 0.825 177.121 176.300 -0.007 0.000 1.003 555 D CA 1.778 55.774 54.000 -0.007 0.000 0.917 555 D CB -0.699 40.097 40.800 -0.006 0.000 0.890 555 D HN 0.430 8.795 8.370 -0.008 0.000 0.532 556 K N -1.813 118.583 120.400 -0.008 0.000 2.228 556 K HA -0.117 nan 4.320 nan 0.000 0.202 556 K C 0.227 176.823 176.600 -0.007 0.000 1.051 556 K CA 1.084 57.367 56.287 -0.007 0.000 0.960 556 K CB 0.628 33.123 32.500 -0.008 0.000 0.743 556 K HN -0.730 7.443 8.250 -0.009 0.072 0.458 557 L N 1.320 122.538 121.223 -0.008 0.000 2.257 557 L HA 0.276 nan 4.340 nan 0.000 0.290 557 L C -2.374 174.492 176.870 -0.007 0.000 1.044 557 L CA -2.228 52.607 54.840 -0.009 0.000 0.810 557 L CB 0.454 42.507 42.059 -0.011 0.000 1.193 557 L HN -0.569 7.520 8.230 -0.009 0.135 0.425 558 P HA 0.092 nan 4.420 nan 0.000 0.271 558 P C -0.408 176.889 177.300 -0.005 0.000 1.244 558 P CA -0.537 62.559 63.100 -0.005 0.000 0.793 558 P CB 1.168 32.865 31.700 -0.004 0.000 0.984 559 A N 1.313 124.131 122.820 -0.004 0.000 1.898 559 A HA -0.287 nan 4.320 nan 0.000 0.216 559 A C 2.094 179.676 177.584 -0.004 0.000 1.181 559 A CA 3.384 55.418 52.037 -0.004 0.000 0.620 559 A CB -0.836 18.162 19.000 -0.003 0.000 0.819 559 A HN 0.520 8.668 8.150 -0.004 0.000 0.442 560 D N -1.166 119.232 120.400 -0.004 0.000 2.097 560 D HA -0.262 nan 4.640 nan 0.000 0.195 560 D C 1.637 177.935 176.300 -0.004 0.000 0.989 560 D CA 3.698 57.696 54.000 -0.003 0.000 0.827 560 D CB -0.825 39.973 40.800 -0.003 0.000 0.966 560 D HN 0.404 8.772 8.370 -0.004 0.000 0.456 561 D N 0.160 120.558 120.400 -0.005 0.000 2.084 561 D HA -0.247 nan 4.640 nan 0.000 0.194 561 D C 2.014 178.310 176.300 -0.006 0.000 0.990 561 D CA 3.734 57.731 54.000 -0.006 0.000 0.826 561 D CB -0.161 40.635 40.800 -0.006 0.000 0.971 561 D HN -0.061 8.221 8.370 -0.005 0.085 0.453 562 K N -0.641 119.755 120.400 -0.007 0.000 2.032 562 K HA -0.403 nan 4.320 nan 0.000 0.209 562 K C 2.412 179.008 176.600 -0.006 0.000 1.048 562 K CA 3.680 59.963 56.287 -0.008 0.000 0.927 562 K CB 0.053 32.548 32.500 -0.007 0.000 0.712 562 K HN 0.399 8.536 8.250 -0.007 0.109 0.441 563 T N 1.128 115.679 114.554 -0.005 0.000 2.708 563 T HA -0.252 nan 4.350 nan 0.000 0.266 563 T C 2.131 176.829 174.700 -0.004 0.000 1.037 563 T CA 4.230 66.328 62.100 -0.004 0.000 1.146 563 T CB -0.486 68.380 68.868 -0.003 0.000 0.865 563 T HN 0.138 8.173 8.240 -0.005 0.202 0.435 564 A N 1.452 124.270 122.820 -0.004 0.000 1.897 564 A HA -0.179 nan 4.320 nan 0.000 0.215 564 A C 1.894 179.475 177.584 -0.004 0.000 1.181 564 A CA 3.038 55.073 52.037 -0.003 0.000 0.620 564 A CB -0.714 18.285 19.000 -0.003 0.000 0.821 564 A HN 0.182 8.139 8.150 -0.004 0.191 0.443 565 I N -1.623 118.944 120.570 -0.005 0.000 2.202 565 I HA -0.606 nan 4.170 nan 0.000 0.242 565 I C 1.968 178.081 176.117 -0.007 0.000 1.091 565 I CA 4.574 65.870 61.300 -0.007 0.000 1.368 565 I CB -0.024 37.970 38.000 -0.010 0.000 1.058 565 I HN 0.710 8.800 8.210 -0.006 0.117 0.410 566 E N -0.757 119.439 120.200 -0.007 0.000 2.204 566 E HA -0.382 nan 4.350 nan 0.000 0.195 566 E C 2.844 179.442 176.600 -0.004 0.000 0.990 566 E CA 3.382 59.779 56.400 -0.006 0.000 0.821 566 E CB -0.493 29.203 29.700 -0.006 0.000 0.750 566 E HN 0.022 8.377 8.360 -0.007 0.000 0.477 567 S N 0.428 116.127 115.700 -0.003 0.000 2.355 567 S HA -0.163 nan 4.470 nan 0.000 0.222 567 S C 1.900 176.499 174.600 -0.000 0.000 1.031 567 S CA 3.316 61.515 58.200 -0.001 0.000 0.993 567 S CB -0.613 62.587 63.200 -0.001 0.000 0.859 567 S HN -0.546 7.651 8.310 -0.003 0.111 0.453 568 A N 1.649 124.468 122.820 -0.001 0.000 1.929 568 A HA -0.146 nan 4.320 nan 0.000 0.216 568 A C 1.834 179.418 177.584 0.000 0.000 1.176 568 A CA 2.855 54.892 52.037 -0.000 0.000 0.628 568 A CB -0.782 18.218 19.000 -0.001 0.000 0.816 568 A HN -0.477 7.574 8.150 -0.002 0.097 0.444 569 L N -2.841 118.381 121.223 -0.002 0.000 2.042 569 L HA -0.516 nan 4.340 nan 0.000 0.210 569 L C 2.395 179.267 176.870 0.002 0.000 1.076 569 L CA 3.548 58.387 54.840 -0.001 0.000 0.749 569 L CB -0.427 41.629 42.059 -0.005 0.000 0.893 569 L HN 0.668 8.785 8.230 -0.004 0.111 0.432 570 T N 0.350 114.905 114.554 0.002 0.000 2.708 570 T HA -0.342 nan 4.350 nan 0.000 0.266 570 T C 1.657 176.360 174.700 0.005 0.000 1.037 570 T CA 4.444 66.546 62.100 0.003 0.000 1.146 570 T CB -0.624 68.245 68.868 0.002 0.000 0.865 570 T HN -0.513 7.609 8.240 0.001 0.119 0.435 571 A N 1.076 123.898 122.820 0.004 0.000 1.930 571 A HA -0.176 nan 4.320 nan 0.000 0.217 571 A C 1.766 179.353 177.584 0.006 0.000 1.175 571 A CA 2.809 54.849 52.037 0.005 0.000 0.627 571 A CB -0.897 18.106 19.000 0.004 0.000 0.815 571 A HN -0.480 7.584 8.150 0.003 0.087 0.443 572 L N -1.057 120.170 121.223 0.007 0.000 2.083 572 L HA -0.302 nan 4.340 nan 0.000 0.209 572 L C 1.577 178.453 176.870 0.011 0.000 1.083 572 L CA 3.009 57.854 54.840 0.009 0.000 0.752 572 L CB -0.292 41.772 42.059 0.009 0.000 0.899 572 L HN 0.028 8.147 8.230 0.006 0.114 0.433 573 E N -1.805 118.401 120.200 0.010 0.000 2.347 573 E HA -0.260 nan 4.350 nan 0.000 0.196 573 E C 1.398 178.004 176.600 0.010 0.000 1.008 573 E CA 2.692 59.099 56.400 0.012 0.000 0.852 573 E CB -0.016 29.691 29.700 0.011 0.000 0.783 573 E HN -0.238 8.031 8.360 0.009 0.097 0.505 574 T N 0.134 114.694 114.554 0.009 0.000 2.866 574 T HA -0.026 nan 4.350 nan 0.000 0.250 574 T C 1.822 176.528 174.700 0.010 0.000 1.033 574 T CA 3.207 65.312 62.100 0.008 0.000 1.145 574 T CB 0.047 68.919 68.868 0.007 0.000 0.866 574 T HN -0.473 7.625 8.240 0.008 0.147 0.434 575 A N 2.863 125.689 122.820 0.009 0.000 1.940 575 A HA -0.181 nan 4.320 nan 0.000 0.219 575 A C 2.083 179.674 177.584 0.012 0.000 1.176 575 A CA 3.058 55.101 52.037 0.010 0.000 0.631 575 A CB -0.819 18.186 19.000 0.009 0.000 0.814 575 A HN 0.247 8.216 8.150 0.009 0.186 0.446 576 L N -3.585 117.645 121.223 0.012 0.000 2.622 576 L HA -0.247 nan 4.340 nan 0.000 0.233 576 L C 1.042 177.921 176.870 0.015 0.000 1.156 576 L CA 1.611 56.459 54.840 0.013 0.000 0.866 576 L CB -0.404 41.664 42.059 0.015 0.000 0.980 576 L HN 0.336 8.460 8.230 0.012 0.113 0.448 577 K N -2.919 117.490 120.400 0.014 0.000 2.372 577 K HA 0.040 nan 4.320 nan 0.000 0.200 577 K C 0.290 176.900 176.600 0.018 0.000 1.022 577 K CA -0.445 55.852 56.287 0.015 0.000 1.125 577 K CB 0.304 32.811 32.500 0.012 0.000 0.855 577 K HN -0.018 8.037 8.250 0.013 0.203 0.524 578 G N 0.860 109.671 108.800 0.019 0.000 2.488 578 G HA2 0.036 nan 3.960 nan 0.000 0.318 578 G HA3 0.036 nan 3.960 nan 0.000 0.318 578 G C -0.886 174.032 174.900 0.030 0.000 1.188 578 G CA -0.465 44.648 45.100 0.022 0.000 0.944 578 G HN -0.403 7.717 8.290 0.017 0.180 0.495 579 E N -1.171 119.051 120.200 0.037 0.000 2.463 579 E HA 0.004 nan 4.350 nan 0.000 0.193 579 E C -0.951 175.675 176.600 0.043 0.000 1.041 579 E CA -0.063 56.370 56.400 0.054 0.000 0.879 579 E CB 0.330 30.070 29.700 0.066 0.000 0.997 579 E HN -0.018 8.362 8.360 0.032 0.000 0.478 580 D N 0.331 120.748 120.400 0.028 0.000 2.316 580 D HA 0.055 nan 4.640 nan 0.000 0.245 580 D C -0.019 176.289 176.300 0.014 0.000 1.171 580 D CA -0.125 53.887 54.000 0.021 0.000 0.856 580 D CB 0.949 41.759 40.800 0.016 0.000 1.090 580 D HN -0.326 7.985 8.370 0.025 0.074 0.476 581 K N 6.625 127.032 120.400 0.012 0.000 2.057 581 K HA -0.282 nan 4.320 nan 0.000 0.206 581 K C 1.011 177.612 176.600 0.002 0.000 1.050 581 K CA 2.937 59.224 56.287 0.001 0.000 0.935 581 K CB 0.200 32.699 32.500 -0.002 0.000 0.715 581 K HN 0.312 8.572 8.250 0.017 0.000 0.439 582 A N -1.354 121.469 122.820 0.005 0.000 1.929 582 A HA -0.089 nan 4.320 nan 0.000 0.216 582 A C 2.009 179.596 177.584 0.004 0.000 1.176 582 A CA 2.681 54.721 52.037 0.004 0.000 0.628 582 A CB -0.908 18.095 19.000 0.005 0.000 0.816 582 A HN 0.105 8.442 8.150 0.008 -0.183 0.444 583 A N -1.045 121.779 122.820 0.006 0.000 1.933 583 A HA -0.272 nan 4.320 nan 0.000 0.218 583 A C 1.965 179.553 177.584 0.006 0.000 1.175 583 A CA 3.290 55.331 52.037 0.006 0.000 0.628 583 A CB -0.779 18.226 19.000 0.008 0.000 0.814 583 A HN 0.735 9.387 8.150 0.008 -0.497 0.444 584 I N -1.571 119.002 120.570 0.005 0.000 2.233 584 I HA -0.557 nan 4.170 nan 0.000 0.243 584 I C 2.143 178.263 176.117 0.004 0.000 1.093 584 I CA 3.781 65.084 61.300 0.005 0.000 1.380 584 I CB -0.128 37.874 38.000 0.003 0.000 1.067 584 I HN -0.917 7.150 8.210 0.005 0.146 0.413 585 E N -0.607 119.594 120.200 0.002 0.000 2.085 585 E HA -0.439 nan 4.350 nan 0.000 0.194 585 E C 2.621 179.223 176.600 0.003 0.000 0.994 585 E CA 3.319 59.720 56.400 0.001 0.000 0.801 585 E CB -0.245 29.455 29.700 -0.001 0.000 0.743 585 E HN 0.180 8.539 8.360 -0.000 0.000 0.453 586 A N -0.577 122.245 122.820 0.003 0.000 1.873 586 A HA -0.236 nan 4.320 nan 0.000 0.215 586 A C 2.144 179.731 177.584 0.004 0.000 1.186 586 A CA 3.272 55.312 52.037 0.004 0.000 0.616 586 A CB -0.620 18.383 19.000 0.004 0.000 0.823 586 A HN 0.594 8.629 8.150 0.003 0.117 0.442 587 K N -1.678 118.725 120.400 0.005 0.000 2.211 587 K HA -0.212 nan 4.320 nan 0.000 0.203 587 K C 2.662 179.266 176.600 0.006 0.000 1.050 587 K CA 2.016 58.306 56.287 0.006 0.000 0.945 587 K CB -0.618 31.886 32.500 0.006 0.000 0.732 587 K HN 0.100 8.158 8.250 0.005 0.196 0.451 588 M N 0.052 119.657 119.600 0.008 0.000 2.117 588 M HA -0.395 nan 4.480 nan 0.000 0.262 588 M C 1.887 178.192 176.300 0.008 0.000 1.065 588 M CA 4.429 59.735 55.300 0.010 0.000 1.114 588 M CB -0.275 32.333 32.600 0.013 0.000 1.361 588 M HN 0.225 8.394 8.290 0.007 0.126 0.408 589 Q N 0.024 119.827 119.800 0.006 0.000 2.046 589 Q HA -0.352 nan 4.340 nan 0.000 0.200 589 Q C 2.006 178.008 176.000 0.004 0.000 0.975 589 Q CA 3.706 59.512 55.803 0.005 0.000 0.836 589 Q CB -0.283 28.457 28.738 0.003 0.000 0.896 589 Q HN -0.300 7.860 8.270 0.005 0.114 0.428 590 E N -0.510 119.692 120.200 0.003 0.000 2.118 590 E HA -0.333 nan 4.350 nan 0.000 0.195 590 E C 1.961 178.562 176.600 0.002 0.000 0.992 590 E CA 2.886 59.288 56.400 0.002 0.000 0.804 590 E CB -0.075 29.627 29.700 0.003 0.000 0.741 590 E HN 0.155 8.400 8.360 0.004 0.117 0.458 591 L N -1.488 119.737 121.223 0.003 0.000 2.007 591 L HA -0.164 nan 4.340 nan 0.000 0.205 591 L C 1.841 178.712 176.870 0.001 0.000 1.073 591 L CA 2.702 57.543 54.840 0.001 0.000 0.744 591 L CB 0.029 42.089 42.059 0.002 0.000 0.898 591 L HN -0.309 7.709 8.230 0.004 0.215 0.435 592 A N -1.531 121.291 122.820 0.004 0.000 1.940 592 A HA -0.376 nan 4.320 nan 0.000 0.219 592 A C 2.573 180.159 177.584 0.002 0.000 1.176 592 A CA 2.912 54.951 52.037 0.004 0.000 0.631 592 A CB -0.744 18.260 19.000 0.007 0.000 0.814 592 A HN 0.744 8.771 8.150 0.005 0.126 0.446 593 Q N -2.411 117.390 119.800 0.002 0.000 2.181 593 Q HA -0.262 nan 4.340 nan 0.000 0.205 593 Q C 2.137 178.137 176.000 -0.000 0.000 0.980 593 Q CA 2.872 58.676 55.803 0.001 0.000 0.862 593 Q CB 0.246 28.984 28.738 0.001 0.000 0.905 593 Q HN 0.304 8.464 8.270 0.002 0.111 0.429 594 V N -9.351 110.563 119.914 -0.001 0.000 3.596 594 V HA 0.251 nan 4.120 nan 0.000 0.289 594 V C 0.154 176.245 176.094 -0.004 0.000 1.336 594 V CA -0.529 61.770 62.300 -0.002 0.000 1.137 594 V CB -0.820 31.002 31.823 -0.003 0.000 0.966 594 V HN -0.549 7.489 8.190 -0.001 0.151 0.428 595 S N 1.896 117.593 115.700 -0.004 0.000 2.588 595 S HA 0.319 nan 4.470 nan 0.000 0.245 595 S C 0.518 175.115 174.600 -0.004 0.000 1.021 595 S CA 0.324 58.521 58.200 -0.006 0.000 1.006 595 S CB -0.492 62.704 63.200 -0.007 0.000 0.830 595 S HN -0.256 7.875 8.310 -0.002 0.177 0.468 596 Q N 3.316 123.115 119.800 -0.003 0.000 2.050 596 Q HA -0.360 nan 4.340 nan 0.000 0.202 596 Q C 1.414 177.412 176.000 -0.003 0.000 0.980 596 Q CA 4.288 60.089 55.803 -0.002 0.000 0.840 596 Q CB -0.071 28.666 28.738 -0.002 0.000 0.898 596 Q HN 0.000 8.211 8.270 -0.003 0.058 0.424 597 K N -0.912 119.485 120.400 -0.004 0.000 2.228 597 K HA -0.180 nan 4.320 nan 0.000 0.202 597 K C 2.050 178.646 176.600 -0.007 0.000 1.051 597 K CA 1.996 58.280 56.287 -0.005 0.000 0.960 597 K CB -0.870 31.627 32.500 -0.005 0.000 0.743 597 K HN 0.060 8.307 8.250 -0.005 0.000 0.458 598 L N -0.982 120.236 121.223 -0.008 0.000 2.027 598 L HA -0.281 nan 4.340 nan 0.000 0.206 598 L C 1.827 178.690 176.870 -0.012 0.000 1.074 598 L CA 2.772 57.605 54.840 -0.012 0.000 0.745 598 L CB -0.134 41.916 42.059 -0.014 0.000 0.898 598 L HN -0.393 7.683 8.230 -0.008 0.149 0.433 599 M N -2.578 117.016 119.600 -0.009 0.000 2.213 599 M HA -0.403 nan 4.480 nan 0.000 0.263 599 M C 2.314 178.611 176.300 -0.006 0.000 1.062 599 M CA 2.614 57.910 55.300 -0.007 0.000 1.105 599 M CB -1.290 31.309 32.600 -0.003 0.000 1.385 599 M HN 0.530 8.701 8.290 -0.007 0.115 0.417 600 E N -0.176 120.021 120.200 -0.005 0.000 2.160 600 E HA -0.264 nan 4.350 nan 0.000 0.195 600 E C 1.690 178.287 176.600 -0.006 0.000 0.991 600 E CA 2.767 59.164 56.400 -0.004 0.000 0.810 600 E CB -0.128 29.569 29.700 -0.004 0.000 0.742 600 E HN -0.633 7.651 8.360 -0.005 0.073 0.466 601 I N -1.010 119.556 120.570 -0.008 0.000 2.333 601 I HA -0.261 nan 4.170 nan 0.000 0.246 601 I C 1.341 177.452 176.117 -0.011 0.000 1.106 601 I CA 1.475 62.770 61.300 -0.009 0.000 1.411 601 I CB 0.490 38.483 38.000 -0.011 0.000 1.082 601 I HN -0.538 7.505 8.210 -0.009 0.161 0.420 602 A N -0.938 121.874 122.820 -0.013 0.000 2.019 602 A HA -0.185 nan 4.320 nan 0.000 0.219 602 A C 0.626 178.205 177.584 -0.009 0.000 1.164 602 A CA 1.609 53.637 52.037 -0.014 0.000 0.644 602 A CB 0.099 19.088 19.000 -0.018 0.000 0.805 602 A HN -0.163 7.892 8.150 -0.012 0.088 0.449 603 Q N 0.000 119.797 119.800 -0.006 0.000 2.315 603 Q HA 0.000 nan 4.340 nan 0.000 0.214 603 Q CA 0.000 55.801 55.803 -0.003 0.000 1.022 603 Q CB 0.000 28.737 28.738 -0.002 0.000 1.108 603 Q HN 0.000 8.152 8.270 -0.006 0.115 0.481