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 1jqk_1_A DATA FIRST_RESID 28 DATA SEQUENCE ETAWHRYEKQ QPQCGFGSAG LCCRICLKGP CRIDPFGEGP KYGVCGADRD DATA SEQUENCE TIVARHLVRM IAAGTAAHSE HGRHIALAMQ HISQGELHDY SIRDEAKLYA DATA SEQUENCE IAKTLGVATE GRGLLAIVGD LAAITLGDFQ NQDYDKPCAW LAASLTPRRV DATA SEQUENCE KRLGDLGLLP HNIDASVAQT MSRTHVGCDA DPTNLILGGL RVAMADLDGS DATA SEQUENCE MLATELSDAL FGTPQPVVSA ANLGVMKRGA VNIAVNGHNP MLSDIICDVA DATA SEQUENCE ADLRDEAIAA GAAEGINIIG ICCTGHEVMM RHGVPLATNY LSQELPILTG DATA SEQUENCE ALEAMVVDVQ CIMPSLPRIA ECFHTQIITT DKHNKISGAT HVPFDEHKAV DATA SEQUENCE ETAKTIIRMA IAAFGRRDPN RVAIPAFKQK SIVGFSAEAV VAALAKVNAD DATA SEQUENCE DPLKPLVDNV VNGNIQGIVL FVGCNTTKVQ QDSAYVDLAK SLAKRNVLVL DATA SEQUENCE ATGCAAGAFA KAGLMTSEAT TQYAGEGLKG VLSAIGTAAG LGGPLPLVMH DATA SEQUENCE MGSCVDNSRA VALATALANK LGVDLSDLPL VASAPECMSE KALAIGSWAV DATA SEQUENCE TIGLPTHVGS VPPVIGSQIV TKLVTETAKD LVGGYFIVDT DPKSAGDKLY DATA SEQUENCE AAIQERRAGL 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 28 E HA 0.000 nan 4.350 nan 0.000 0.291 28 E C 0.000 176.572 176.600 -0.047 0.000 1.382 28 E CA 0.000 56.495 56.400 0.159 0.000 0.976 28 E CB 0.000 29.782 29.700 0.137 0.000 0.812 29 T N 1.436 115.772 114.554 -0.363 0.000 2.852 29 T HA 0.606 4.956 4.350 0.000 0.000 0.281 29 T C 1.288 175.906 174.700 -0.137 0.000 0.993 29 T CA 0.462 62.395 62.100 -0.278 0.000 0.933 29 T CB 1.090 69.760 68.868 -0.330 0.000 1.187 29 T HN 0.548 nan 8.240 nan 0.000 0.559 30 A N 0.293 123.002 122.820 -0.185 0.000 1.930 30 A HA -0.010 4.310 4.320 0.000 0.000 0.217 30 A C 2.277 179.765 177.584 -0.159 0.000 1.175 30 A CA 1.058 52.919 52.037 -0.293 0.000 0.627 30 A CB -0.735 17.878 19.000 -0.644 0.000 0.815 30 A HN 0.901 nan 8.150 nan 0.000 0.443 31 W N -0.203 121.097 121.300 -0.000 0.000 2.388 31 W HA -0.123 4.537 4.660 0.000 0.000 0.294 31 W C 2.257 178.954 176.519 0.297 0.000 1.212 31 W CA 1.273 58.705 57.345 0.146 0.000 1.271 31 W CB -0.951 28.579 29.460 0.117 0.000 1.126 31 W HN 0.660 nan 8.180 nan 0.000 0.535 32 H N -0.186 119.065 119.070 0.301 0.000 2.256 32 H HA -0.081 4.475 4.556 0.000 0.000 0.299 32 H C 2.442 177.843 175.328 0.122 0.000 1.071 32 H CA 1.146 57.300 56.048 0.176 0.000 1.280 32 H CB -0.289 29.551 29.762 0.129 0.000 1.370 32 H HN -0.065 nan 8.280 nan 0.000 0.490 33 R N 0.223 120.863 120.500 0.234 0.000 2.133 33 R HA -0.246 4.094 4.340 0.000 0.000 0.247 33 R C 2.342 178.715 176.300 0.122 0.000 1.151 33 R CA 1.895 58.071 56.100 0.127 0.000 0.971 33 R CB -0.533 29.810 30.300 0.072 0.000 0.866 33 R HN 0.424 nan 8.270 nan 0.000 0.447 34 Y N 2.034 122.363 120.300 0.048 0.000 2.145 34 Y HA -0.211 4.339 4.550 0.000 0.000 0.286 34 Y C 2.122 178.055 175.900 0.056 0.000 1.145 34 Y CA 1.484 59.604 58.100 0.033 0.000 1.148 34 Y CB -0.149 38.323 38.460 0.020 0.000 0.981 34 Y HN -0.049 nan 8.280 nan 0.000 0.507 35 E N 0.937 121.060 120.200 -0.129 0.000 2.058 35 E HA -0.224 4.127 4.350 0.000 0.000 0.194 35 E C 2.000 178.488 176.600 -0.186 0.000 0.997 35 E CA 1.825 58.092 56.400 -0.221 0.000 0.801 35 E CB -0.367 29.329 29.700 -0.006 0.000 0.746 35 E HN 0.589 nan 8.360 nan 0.000 0.450 36 K N 0.562 120.917 120.400 -0.076 0.000 2.360 36 K HA -0.117 4.203 4.320 0.000 0.000 0.201 36 K C 1.995 178.548 176.600 -0.077 0.000 1.046 36 K CA 0.686 56.941 56.287 -0.054 0.000 0.940 36 K CB 0.043 32.540 32.500 -0.005 0.000 0.748 36 K HN 0.057 nan 8.250 nan 0.000 0.465 37 Q N 0.492 120.219 119.800 -0.121 0.000 2.389 37 Q HA 0.015 4.355 4.340 0.000 0.000 0.204 37 Q C 0.266 176.185 176.000 -0.136 0.000 0.944 37 Q CA 0.682 56.425 55.803 -0.101 0.000 0.908 37 Q CB 0.307 29.005 28.738 -0.066 0.000 1.002 37 Q HN 0.306 nan 8.270 nan 0.000 0.493 38 Q N 2.162 121.828 119.800 -0.223 0.000 2.313 38 Q HA 0.173 4.513 4.340 0.000 0.000 0.266 38 Q C -1.885 174.056 176.000 -0.098 0.000 0.989 38 Q CA -1.018 54.672 55.803 -0.189 0.000 0.890 38 Q CB 0.292 28.880 28.738 -0.251 0.000 1.200 38 Q HN 0.161 nan 8.270 nan 0.000 0.396 39 P HA 0.187 nan 4.420 nan 0.000 0.292 39 P C -0.774 176.508 177.300 -0.029 0.000 1.287 39 P CA -0.447 62.625 63.100 -0.047 0.000 0.800 39 P CB 1.119 32.804 31.700 -0.025 0.000 0.945 40 Q N 1.020 120.807 119.800 -0.021 0.000 2.373 40 Q HA 0.154 4.494 4.340 0.000 0.000 0.255 40 Q C 0.299 176.309 176.000 0.017 0.000 0.980 40 Q CA -0.409 55.397 55.803 0.005 0.000 0.882 40 Q CB 0.662 29.418 28.738 0.030 0.000 1.249 40 Q HN 0.561 nan 8.270 nan 0.000 0.438 41 C N 2.564 121.883 119.300 0.031 0.000 2.378 41 C HA -0.014 4.446 4.460 0.000 0.000 0.395 41 C C 1.818 176.831 174.990 0.038 0.000 1.476 41 C CA 0.568 59.621 59.018 0.058 0.000 1.541 41 C CB -0.798 26.991 27.740 0.081 0.000 2.524 41 C HN 1.000 nan 8.230 nan 0.000 0.595 42 G N 3.606 112.411 108.800 0.008 0.000 2.430 42 G HA2 -0.060 3.900 3.960 0.000 0.000 0.216 42 G HA3 -0.060 3.900 3.960 0.000 0.000 0.216 42 G C 1.128 175.948 174.900 -0.132 0.000 1.146 42 G CA 0.479 45.524 45.100 -0.091 0.000 0.793 42 G HN 0.774 nan 8.290 nan 0.000 0.537 43 F N 1.692 121.615 119.950 -0.046 0.000 2.134 43 F HA 0.023 4.550 4.527 0.000 0.000 0.299 43 F C 2.879 178.629 175.800 -0.082 0.000 1.097 43 F CA 1.130 59.087 58.000 -0.071 0.000 1.264 43 F CB -0.441 38.515 39.000 -0.073 0.000 1.001 43 F HN 0.189 nan 8.300 nan 0.000 0.479 44 G N -0.669 108.200 108.800 0.116 0.000 2.511 44 G HA2 -0.263 3.697 3.960 0.000 0.000 0.216 44 G HA3 -0.263 3.697 3.960 0.000 0.000 0.216 44 G C 1.848 176.734 174.900 -0.022 0.000 1.218 44 G CA 1.138 46.242 45.100 0.008 0.000 0.788 44 G HN 0.322 nan 8.290 nan 0.000 0.560 45 S N 1.082 116.777 115.700 -0.008 0.000 2.400 45 S HA -0.179 4.291 4.470 0.000 0.000 0.234 45 S C 2.569 177.151 174.600 -0.030 0.000 1.049 45 S CA 1.520 59.711 58.200 -0.015 0.000 1.039 45 S CB -0.382 62.811 63.200 -0.012 0.000 0.856 45 S HN 0.647 nan 8.310 nan 0.000 0.465 46 A N -0.018 122.776 122.820 -0.044 0.000 2.169 46 A HA 0.461 4.781 4.320 0.000 0.000 0.212 46 A C 1.727 179.286 177.584 -0.042 0.000 1.153 46 A CA 0.974 52.979 52.037 -0.053 0.000 0.756 46 A CB -0.739 18.205 19.000 -0.095 0.000 0.813 46 A HN 1.048 nan 8.150 nan 0.000 0.471 47 G N -1.127 107.642 108.800 -0.050 0.000 2.147 47 G HA2 -0.214 3.746 3.960 0.000 0.000 0.244 47 G HA3 -0.214 3.746 3.960 0.000 0.000 0.244 47 G C 0.333 175.203 174.900 -0.049 0.000 1.005 47 G CA 0.379 45.432 45.100 -0.079 0.000 0.713 47 G HN 0.520 nan 8.290 nan 0.000 0.515 48 L N 0.148 121.374 121.223 0.004 0.000 2.928 48 L HA 0.453 4.793 4.340 0.000 0.000 0.236 48 L C 0.957 177.869 176.870 0.071 0.000 1.290 48 L CA -0.283 54.593 54.840 0.059 0.000 1.099 48 L CB 0.286 42.417 42.059 0.120 0.000 1.437 48 L HN 0.411 nan 8.230 nan 0.000 0.493 49 C N -0.527 118.761 119.300 -0.021 0.000 2.783 49 C HA 0.717 5.177 4.460 0.000 0.000 0.312 49 C C -0.708 174.224 174.990 -0.097 0.000 1.182 49 C CA -1.050 57.925 59.018 -0.071 0.000 1.432 49 C CB 1.327 29.025 27.740 -0.069 0.000 1.933 49 C HN 0.528 nan 8.230 nan 0.000 0.473 50 C N 6.090 125.342 119.300 -0.080 0.000 2.516 50 C HA 0.687 5.147 4.460 0.000 0.000 0.338 50 C C 0.217 175.177 174.990 -0.050 0.000 1.132 50 C CA -0.438 58.546 59.018 -0.057 0.000 1.310 50 C CB 0.522 28.241 27.740 -0.034 0.000 1.898 50 C HN 1.052 nan 8.230 nan 0.000 0.452 51 R N 4.523 125.002 120.500 -0.034 0.000 2.700 51 R HA 0.281 4.621 4.340 0.000 0.000 0.377 51 R C 1.037 177.322 176.300 -0.026 0.000 1.130 51 R CA -0.163 55.917 56.100 -0.032 0.000 1.055 51 R CB 0.232 30.516 30.300 -0.026 0.000 1.387 51 R HN 0.770 nan 8.270 nan 0.000 0.580 52 I N 0.556 121.108 120.570 -0.031 0.000 2.614 52 I HA -0.171 3.999 4.170 0.000 0.000 0.258 52 I C 1.115 177.177 176.117 -0.091 0.000 1.189 52 I CA 0.732 62.003 61.300 -0.049 0.000 1.462 52 I CB 0.022 37.991 38.000 -0.051 0.000 1.092 52 I HN 0.359 nan 8.210 nan 0.000 0.442 53 C N -2.407 116.844 119.300 -0.082 0.000 3.291 53 C HA 0.370 4.830 4.460 0.000 0.000 0.316 53 C C 1.201 176.157 174.990 -0.056 0.000 1.391 53 C CA -1.103 57.861 59.018 -0.089 0.000 1.394 53 C CB 0.967 28.634 27.740 -0.123 0.000 1.744 53 C HN 0.181 nan 8.230 nan 0.000 0.461 54 L N 0.684 121.880 121.223 -0.045 0.000 2.465 54 L HA 0.023 4.363 4.340 0.000 0.000 0.224 54 L C 2.352 179.202 176.870 -0.034 0.000 1.145 54 L CA 0.947 55.767 54.840 -0.033 0.000 0.834 54 L CB -0.551 41.495 42.059 -0.023 0.000 0.944 54 L HN 0.800 nan 8.230 nan 0.000 0.451 55 K N 0.469 120.846 120.400 -0.038 0.000 2.515 55 K HA -0.001 4.319 4.320 0.000 0.000 0.196 55 K C 1.224 177.802 176.600 -0.038 0.000 1.038 55 K CA 0.358 56.624 56.287 -0.034 0.000 0.967 55 K CB 0.028 32.509 32.500 -0.033 0.000 0.780 55 K HN 0.354 nan 8.250 nan 0.000 0.483 56 G N 1.977 110.751 108.800 -0.044 0.000 2.606 56 G HA2 0.242 4.202 3.960 0.000 0.000 0.262 56 G HA3 0.242 4.202 3.960 0.000 0.000 0.262 56 G C -2.506 172.363 174.900 -0.053 0.000 1.394 56 G CA -0.903 44.167 45.100 -0.051 0.000 1.044 56 G HN -0.040 nan 8.290 nan 0.000 0.553 57 P HA 0.311 nan 4.420 nan 0.000 0.282 57 P C -0.658 176.580 177.300 -0.103 0.000 1.262 57 P CA -0.232 62.820 63.100 -0.080 0.000 0.773 57 P CB 0.765 32.414 31.700 -0.085 0.000 0.879 58 C N 4.967 124.211 119.300 -0.094 0.000 2.388 58 C HA 0.549 5.009 4.460 0.000 0.000 0.362 58 C C 1.056 175.962 174.990 -0.140 0.000 1.266 58 C CA -0.487 58.471 59.018 -0.101 0.000 2.028 58 C CB 0.063 27.770 27.740 -0.056 0.000 2.440 58 C HN 0.627 nan 8.230 nan 0.000 0.547 59 R N 2.477 122.856 120.500 -0.200 0.000 2.854 59 R HA 0.813 5.153 4.340 0.000 0.000 0.271 59 R C -1.556 174.667 176.300 -0.128 0.000 0.994 59 R CA -0.701 55.242 56.100 -0.261 0.000 0.945 59 R CB 1.033 30.880 30.300 -0.755 0.000 1.194 59 R HN 0.407 nan 8.270 nan 0.000 0.476 60 I N 1.596 122.173 120.570 0.011 0.000 2.378 60 I HA 0.155 4.325 4.170 0.000 0.000 0.291 60 I C -0.684 175.489 176.117 0.094 0.000 0.992 60 I CA -0.824 60.486 61.300 0.017 0.000 1.154 60 I CB 1.408 39.399 38.000 -0.014 0.000 1.315 60 I HN 0.740 nan 8.210 nan 0.000 0.448 61 D N 9.587 129.993 120.400 0.009 0.000 2.393 61 D HA 0.248 4.889 4.640 0.000 0.000 0.232 61 D C -1.285 174.862 176.300 -0.255 0.000 1.192 61 D CA -1.759 52.200 54.000 -0.068 0.000 0.882 61 D CB 1.413 42.202 40.800 -0.019 0.000 1.038 61 D HN 0.239 nan 8.370 nan 0.000 0.499 62 P HA -0.208 nan 4.420 nan 0.000 0.215 62 P C 0.801 177.894 177.300 -0.344 0.000 1.157 62 P CA 1.561 64.355 63.100 -0.510 0.000 0.874 62 P CB 0.001 31.237 31.700 -0.774 0.000 0.790 63 F N -1.226 118.708 119.950 -0.028 0.000 2.534 63 F HA 0.507 5.034 4.527 0.000 0.000 0.274 63 F C 2.326 178.114 175.800 -0.020 0.000 0.917 63 F CA 0.168 58.152 58.000 -0.026 0.000 1.145 63 F CB -1.930 37.053 39.000 -0.029 0.000 1.145 63 F HN -0.200 nan 8.300 nan 0.000 0.746 64 G N 1.799 110.889 108.800 0.483 0.000 3.097 64 G HA2 -0.159 3.801 3.960 0.000 0.000 0.198 64 G HA3 -0.159 3.801 3.960 0.000 0.000 0.198 64 G C 0.355 175.318 174.900 0.106 0.000 1.199 64 G CA 0.673 45.921 45.100 0.247 0.000 0.985 64 G HN 0.721 nan 8.290 nan 0.000 0.518 65 E N -2.295 117.944 120.200 0.065 0.000 2.038 65 E HA -0.224 4.126 4.350 0.000 0.000 0.181 65 E C 0.907 177.509 176.600 0.003 0.000 1.383 65 E CA 0.224 56.632 56.400 0.013 0.000 0.677 65 E CB -1.766 27.944 29.700 0.016 0.000 1.051 65 E HN 0.445 nan 8.360 nan 0.000 0.317 66 G N 1.722 110.520 108.800 -0.004 0.000 3.329 66 G HA2 0.403 4.364 3.960 0.000 0.000 0.180 66 G HA3 0.403 4.364 3.960 0.000 0.000 0.180 66 G C -2.127 172.751 174.900 -0.038 0.000 1.640 66 G CA -0.205 44.892 45.100 -0.004 0.000 1.018 66 G HN 0.349 nan 8.290 nan 0.000 0.581 67 P HA 0.406 nan 4.420 nan 0.000 0.282 67 P C -0.859 176.368 177.300 -0.122 0.000 1.262 67 P CA -0.102 62.959 63.100 -0.066 0.000 0.773 67 P CB 2.125 33.793 31.700 -0.054 0.000 0.879 68 K N 1.890 122.156 120.400 -0.223 0.000 2.360 68 K HA 0.238 4.559 4.320 0.000 0.000 0.196 68 K C -0.067 176.215 176.600 -0.530 0.000 1.049 68 K CA 0.470 56.496 56.287 -0.435 0.000 1.049 68 K CB 0.184 32.281 32.500 -0.671 0.000 0.881 68 K HN 0.505 nan 8.250 nan 0.000 0.542 69 Y N -1.613 118.675 120.300 -0.019 0.000 2.638 69 Y HA 0.573 5.123 4.550 0.000 0.000 0.339 69 Y C 0.731 176.613 175.900 -0.030 0.000 1.084 69 Y CA -1.838 56.250 58.100 -0.021 0.000 1.068 69 Y CB 1.646 40.096 38.460 -0.016 0.000 1.294 69 Y HN -0.128 nan 8.280 nan 0.000 0.480 70 G N -0.123 108.775 108.800 0.164 0.000 2.451 70 G HA2 0.372 4.333 3.960 0.000 0.000 0.303 70 G HA3 0.372 4.333 3.960 0.000 0.000 0.303 70 G C 0.503 175.430 174.900 0.045 0.000 1.166 70 G CA -0.604 44.532 45.100 0.059 0.000 0.884 70 G HN 0.539 nan 8.290 nan 0.000 0.514 71 V N 0.298 120.219 119.914 0.012 0.000 2.794 71 V HA -0.240 3.880 4.120 0.000 0.000 0.260 71 V C 2.697 178.786 176.094 -0.010 0.000 1.103 71 V CA 1.988 64.290 62.300 0.002 0.000 1.125 71 V CB -1.054 30.762 31.823 -0.012 0.000 0.702 71 V HN 0.930 nan 8.190 nan 0.000 0.494 72 C N -1.350 117.941 119.300 -0.016 0.000 2.634 72 C HA 0.645 5.106 4.460 0.000 0.000 0.268 72 C C 1.988 176.947 174.990 -0.051 0.000 1.322 72 C CA 0.113 59.112 59.018 -0.030 0.000 1.737 72 C CB -0.182 27.538 27.740 -0.032 0.000 1.976 72 C HN 0.752 nan 8.230 nan 0.000 0.547 73 G N 0.457 109.223 108.800 -0.056 0.000 2.211 73 G HA2 0.167 4.127 3.960 0.000 0.000 0.201 73 G HA3 0.167 4.127 3.960 0.000 0.000 0.201 73 G C 0.273 175.091 174.900 -0.135 0.000 0.997 73 G CA 0.096 45.100 45.100 -0.159 0.000 0.652 73 G HN 1.408 nan 8.290 nan 0.000 0.500 74 A N 1.351 124.158 122.820 -0.021 0.000 2.511 74 A HA 0.497 4.817 4.320 0.000 0.000 0.242 74 A C 0.593 178.260 177.584 0.138 0.000 1.069 74 A CA 0.827 52.881 52.037 0.027 0.000 0.763 74 A CB 0.128 19.142 19.000 0.023 0.000 1.001 74 A HN 0.704 nan 8.150 nan 0.000 0.498 75 D N 2.138 122.633 120.400 0.159 0.000 2.326 75 D HA 0.198 4.838 4.640 0.000 0.000 0.251 75 D C 1.218 177.585 176.300 0.112 0.000 1.023 75 D CA -0.661 53.487 54.000 0.247 0.000 0.966 75 D CB 0.666 41.641 40.800 0.291 0.000 1.156 75 D HN 0.652 nan 8.370 nan 0.000 0.494 76 R N 0.703 121.245 120.500 0.070 0.000 2.153 76 R HA -0.229 4.111 4.340 0.000 0.000 0.252 76 R C 0.475 176.794 176.300 0.032 0.000 1.158 76 R CA 1.531 57.648 56.100 0.028 0.000 0.975 76 R CB -0.676 29.621 30.300 -0.005 0.000 0.871 76 R HN 0.396 nan 8.270 nan 0.000 0.450 77 D N 0.662 121.087 120.400 0.043 0.000 2.084 77 D HA -0.091 4.549 4.640 0.000 0.000 0.196 77 D C 1.870 178.195 176.300 0.041 0.000 0.985 77 D CA 1.977 56.000 54.000 0.039 0.000 0.826 77 D CB -0.515 40.310 40.800 0.043 0.000 0.978 77 D HN 0.283 nan 8.370 nan 0.000 0.456 78 T N 2.008 116.590 114.554 0.047 0.000 2.622 78 T HA -0.133 4.217 4.350 0.000 0.000 0.266 78 T C 2.294 177.019 174.700 0.042 0.000 1.047 78 T CA 0.796 62.921 62.100 0.042 0.000 1.159 78 T CB -0.458 68.433 68.868 0.039 0.000 0.863 78 T HN 0.127 nan 8.240 nan 0.000 0.422 79 I N 0.896 121.490 120.570 0.040 0.000 2.113 79 I HA -0.222 3.948 4.170 0.000 0.000 0.242 79 I C 2.493 178.634 176.117 0.041 0.000 1.064 79 I CA 1.317 62.637 61.300 0.033 0.000 1.320 79 I CB -0.601 37.411 38.000 0.021 0.000 1.028 79 I HN 0.111 nan 8.210 nan 0.000 0.406 80 V N 0.815 120.750 119.914 0.034 0.000 2.515 80 V HA -0.259 3.861 4.120 0.000 0.000 0.250 80 V C 2.604 178.736 176.094 0.063 0.000 1.058 80 V CA 1.821 64.145 62.300 0.040 0.000 1.064 80 V CB -0.956 30.879 31.823 0.020 0.000 0.675 80 V HN 0.503 nan 8.190 nan 0.000 0.461 81 A N 0.585 123.437 122.820 0.053 0.000 1.855 81 A HA -0.193 4.127 4.320 0.000 0.000 0.215 81 A C 2.349 179.967 177.584 0.057 0.000 1.191 81 A CA 1.712 53.779 52.037 0.050 0.000 0.613 81 A CB -0.468 18.559 19.000 0.044 0.000 0.829 81 A HN 0.494 nan 8.150 nan 0.000 0.442 82 R N -1.292 119.245 120.500 0.062 0.000 2.103 82 R HA -0.197 4.143 4.340 0.000 0.000 0.242 82 R C 2.237 178.578 176.300 0.068 0.000 1.142 82 R CA 1.820 57.955 56.100 0.059 0.000 0.960 82 R CB -0.699 29.636 30.300 0.058 0.000 0.858 82 R HN 0.801 nan 8.270 nan 0.000 0.439 83 H N 0.231 119.301 119.070 -0.000 0.000 2.389 83 H HA -0.020 4.536 4.556 0.000 0.000 0.299 83 H C 1.821 177.141 175.328 -0.012 0.000 1.081 83 H CA 1.244 57.288 56.048 -0.007 0.000 1.345 83 H CB 0.030 29.786 29.762 -0.010 0.000 1.393 83 H HN 0.020 nan 8.280 nan 0.000 0.520 84 L N 0.017 121.246 121.223 0.011 0.000 2.027 84 L HA -0.138 4.202 4.340 0.000 0.000 0.206 84 L C 2.369 179.194 176.870 -0.075 0.000 1.074 84 L CA 1.223 56.031 54.840 -0.052 0.000 0.745 84 L CB -0.894 41.159 42.059 -0.010 0.000 0.898 84 L HN 0.295 nan 8.230 nan 0.000 0.433 85 V N 0.108 120.005 119.914 -0.029 0.000 2.255 85 V HA -0.313 3.807 4.120 0.000 0.000 0.247 85 V C 2.647 178.718 176.094 -0.040 0.000 1.051 85 V CA 1.843 64.136 62.300 -0.011 0.000 1.018 85 V CB -0.577 31.257 31.823 0.018 0.000 0.641 85 V HN 0.440 nan 8.190 nan 0.000 0.445 86 R N -0.932 119.529 120.500 -0.065 0.000 2.159 86 R HA -0.126 4.214 4.340 0.000 0.000 0.237 86 R C 2.272 178.495 176.300 -0.127 0.000 1.131 86 R CA 1.467 57.519 56.100 -0.080 0.000 0.982 86 R CB -0.315 29.940 30.300 -0.075 0.000 0.868 86 R HN 0.484 nan 8.270 nan 0.000 0.453 87 M N -0.208 119.274 119.600 -0.196 0.000 2.200 87 M HA -0.110 4.370 4.480 0.000 0.000 0.265 87 M C 2.050 178.287 176.300 -0.105 0.000 1.066 87 M CA 1.527 56.712 55.300 -0.192 0.000 1.127 87 M CB -0.047 32.407 32.600 -0.243 0.000 1.379 87 M HN 0.138 nan 8.290 nan 0.000 0.420 88 I N -0.085 120.445 120.570 -0.067 0.000 2.202 88 I HA -0.218 3.952 4.170 0.000 0.000 0.242 88 I C 2.687 178.801 176.117 -0.005 0.000 1.091 88 I CA 1.108 62.398 61.300 -0.017 0.000 1.368 88 I CB -0.618 37.394 38.000 0.020 0.000 1.058 88 I HN 0.218 nan 8.210 nan 0.000 0.410 89 A N 0.960 123.774 122.820 -0.010 0.000 1.908 89 A HA -0.224 4.096 4.320 0.000 0.000 0.218 89 A C 2.535 180.110 177.584 -0.015 0.000 1.181 89 A CA 2.089 54.126 52.037 -0.000 0.000 0.627 89 A CB -0.842 18.159 19.000 0.001 0.000 0.818 89 A HN 0.453 nan 8.150 nan 0.000 0.445 90 A N -0.661 122.136 122.820 -0.040 0.000 1.930 90 A HA 0.155 4.475 4.320 0.000 0.000 0.217 90 A C 2.396 179.940 177.584 -0.068 0.000 1.175 90 A CA 1.848 53.853 52.037 -0.053 0.000 0.627 90 A CB -1.295 17.662 19.000 -0.072 0.000 0.815 90 A HN 0.731 nan 8.150 nan 0.000 0.443 91 G N -1.191 107.566 108.800 -0.073 0.000 2.408 91 G HA2 -0.117 3.843 3.960 0.000 0.000 0.217 91 G HA3 -0.117 3.843 3.960 0.000 0.000 0.217 91 G C 1.561 176.420 174.900 -0.068 0.000 1.150 91 G CA 1.597 46.633 45.100 -0.108 0.000 0.776 91 G HN 0.418 nan 8.290 nan 0.000 0.542 92 T N 1.732 116.295 114.554 0.016 0.000 2.674 92 T HA -0.018 4.332 4.350 0.000 0.000 0.265 92 T C 2.833 177.557 174.700 0.041 0.000 1.039 92 T CA 1.589 63.728 62.100 0.066 0.000 1.150 92 T CB -0.440 68.458 68.868 0.049 0.000 0.864 92 T HN 0.357 nan 8.240 nan 0.000 0.427 93 A N 1.280 124.106 122.820 0.011 0.000 1.978 93 A HA 0.086 4.406 4.320 0.000 0.000 0.220 93 A C 2.567 180.153 177.584 0.004 0.000 1.170 93 A CA 1.924 53.971 52.037 0.017 0.000 0.636 93 A CB -0.966 18.037 19.000 0.006 0.000 0.810 93 A HN 0.524 nan 8.150 nan 0.000 0.448 94 A N -1.053 121.735 122.820 -0.053 0.000 1.872 94 A HA -0.113 4.207 4.320 0.000 0.000 0.214 94 A C 1.967 179.529 177.584 -0.037 0.000 1.187 94 A CA 1.615 53.588 52.037 -0.106 0.000 0.614 94 A CB -0.855 18.004 19.000 -0.235 0.000 0.826 94 A HN 0.722 nan 8.150 nan 0.000 0.442 95 H N -0.187 118.894 119.070 0.018 0.000 2.326 95 H HA -0.108 4.448 4.556 0.000 0.000 0.301 95 H C 2.811 178.172 175.328 0.054 0.000 1.081 95 H CA 1.576 57.660 56.048 0.061 0.000 1.334 95 H CB 0.098 29.901 29.762 0.068 0.000 1.385 95 H HN 0.679 nan 8.280 nan 0.000 0.504 96 S N 0.799 116.605 115.700 0.176 0.000 2.365 96 S HA -0.259 4.211 4.470 0.000 0.000 0.225 96 S C 2.088 176.792 174.600 0.175 0.000 1.039 96 S CA 1.778 60.087 58.200 0.182 0.000 1.033 96 S CB -0.205 63.095 63.200 0.166 0.000 0.887 96 S HN 0.367 nan 8.310 nan 0.000 0.447 97 E N 0.839 121.076 120.200 0.063 0.000 2.267 97 E HA -0.184 4.166 4.350 0.000 0.000 0.197 97 E C 1.807 178.222 176.600 -0.308 0.000 0.998 97 E CA 1.590 57.906 56.400 -0.141 0.000 0.830 97 E CB -0.614 29.014 29.700 -0.120 0.000 0.751 97 E HN 0.911 nan 8.360 nan 0.000 0.491 98 H N -1.765 117.210 119.070 -0.158 0.000 2.333 98 H HA -0.010 4.546 4.556 0.000 0.000 0.302 98 H C 1.914 177.213 175.328 -0.048 0.000 1.075 98 H CA 1.002 57.007 56.048 -0.072 0.000 1.348 98 H CB -0.019 29.781 29.762 0.063 0.000 1.393 98 H HN 0.272 nan 8.280 nan 0.000 0.509 99 G N 0.817 109.595 108.800 -0.037 0.000 2.414 99 G HA2 -0.263 3.698 3.960 0.000 0.000 0.215 99 G HA3 -0.263 3.698 3.960 0.000 0.000 0.215 99 G C 1.784 176.636 174.900 -0.079 0.000 1.188 99 G CA 0.393 45.434 45.100 -0.099 0.000 0.783 99 G HN 0.309 nan 8.290 nan 0.000 0.537 100 R N 0.039 120.438 120.500 -0.168 0.000 2.140 100 R HA -0.201 4.139 4.340 0.000 0.000 0.250 100 R C 2.208 178.390 176.300 -0.196 0.000 1.150 100 R CA 2.112 57.903 56.100 -0.514 0.000 0.966 100 R CB -0.691 29.215 30.300 -0.657 0.000 0.869 100 R HN 0.648 nan 8.270 nan 0.000 0.445 101 H N -0.436 118.570 119.070 -0.107 0.000 2.319 101 H HA -0.130 4.426 4.556 0.000 0.000 0.299 101 H C 2.249 177.534 175.328 -0.072 0.000 1.092 101 H CA 1.654 57.667 56.048 -0.059 0.000 1.302 101 H CB -0.060 29.727 29.762 0.040 0.000 1.373 101 H HN 0.244 nan 8.280 nan 0.000 0.497 102 I N 0.504 121.127 120.570 0.089 0.000 2.394 102 I HA -0.190 3.980 4.170 0.000 0.000 0.251 102 I C 2.773 178.861 176.117 -0.048 0.000 1.136 102 I CA 0.634 61.941 61.300 0.012 0.000 1.425 102 I CB -0.259 37.749 38.000 0.013 0.000 1.079 102 I HN 0.282 nan 8.210 nan 0.000 0.425 103 A N 1.131 123.911 122.820 -0.067 0.000 1.933 103 A HA -0.121 4.199 4.320 0.000 0.000 0.218 103 A C 2.281 179.803 177.584 -0.103 0.000 1.175 103 A CA 1.297 53.296 52.037 -0.063 0.000 0.628 103 A CB -0.726 18.228 19.000 -0.076 0.000 0.814 103 A HN 0.394 nan 8.150 nan 0.000 0.444 104 L N -1.001 120.127 121.223 -0.158 0.000 2.291 104 L HA -0.116 4.224 4.340 0.000 0.000 0.214 104 L C 2.960 179.620 176.870 -0.350 0.000 1.120 104 L CA 0.705 55.390 54.840 -0.257 0.000 0.799 104 L CB -0.423 41.474 42.059 -0.270 0.000 0.925 104 L HN 0.449 nan 8.230 nan 0.000 0.446 105 A N -0.210 122.488 122.820 -0.204 0.000 1.929 105 A HA -0.163 4.157 4.320 0.000 0.000 0.216 105 A C 2.326 179.868 177.584 -0.069 0.000 1.176 105 A CA 1.131 53.084 52.037 -0.141 0.000 0.628 105 A CB -0.230 18.700 19.000 -0.117 0.000 0.816 105 A HN 0.205 nan 8.150 nan 0.000 0.444 106 M N -0.523 119.039 119.600 -0.062 0.000 2.067 106 M HA -0.202 4.278 4.480 0.000 0.000 0.260 106 M C 2.368 178.672 176.300 0.007 0.000 1.069 106 M CA 2.055 57.344 55.300 -0.019 0.000 1.117 106 M CB -1.513 31.085 32.600 -0.003 0.000 1.334 106 M HN 0.715 nan 8.290 nan 0.000 0.407 107 Q N -0.058 119.734 119.800 -0.013 0.000 2.062 107 Q HA -0.239 4.101 4.340 0.000 0.000 0.209 107 Q C 1.925 178.003 176.000 0.129 0.000 0.996 107 Q CA 2.048 57.870 55.803 0.031 0.000 0.859 107 Q CB -0.270 28.466 28.738 -0.003 0.000 0.920 107 Q HN 0.657 nan 8.270 nan 0.000 0.415 108 H N -0.456 118.617 119.070 0.005 0.000 2.387 108 H HA -0.089 4.467 4.556 0.000 0.000 0.299 108 H C 2.207 177.536 175.328 0.001 0.000 1.090 108 H CA 1.017 57.069 56.048 0.008 0.000 1.332 108 H CB 0.091 29.841 29.762 -0.020 0.000 1.386 108 H HN 0.314 nan 8.280 nan 0.000 0.516 109 I N 0.652 121.298 120.570 0.127 0.000 2.179 109 I HA -0.232 3.938 4.170 0.000 0.000 0.242 109 I C 2.351 178.503 176.117 0.059 0.000 1.088 109 I CA 1.338 62.682 61.300 0.073 0.000 1.357 109 I CB -0.245 37.784 38.000 0.047 0.000 1.051 109 I HN 0.257 nan 8.210 nan 0.000 0.409 110 S N -0.068 115.665 115.700 0.055 0.000 2.727 110 S HA -0.073 4.397 4.470 0.000 0.000 0.226 110 S C 1.231 175.859 174.600 0.046 0.000 0.963 110 S CA 0.486 58.712 58.200 0.043 0.000 0.950 110 S CB -0.250 62.970 63.200 0.033 0.000 0.779 110 S HN 0.546 nan 8.310 nan 0.000 0.532 111 Q N -0.536 119.297 119.800 0.055 0.000 2.127 111 Q HA 0.345 4.685 4.340 0.000 0.000 0.222 111 Q C 1.111 177.132 176.000 0.035 0.000 0.794 111 Q CA 0.163 55.993 55.803 0.045 0.000 1.010 111 Q CB 1.018 29.788 28.738 0.053 0.000 1.170 111 Q HN 0.656 nan 8.270 nan 0.000 0.479 112 G N 1.197 110.022 108.800 0.042 0.000 2.199 112 G HA2 -0.285 3.675 3.960 0.000 0.000 0.254 112 G HA3 -0.285 3.675 3.960 0.000 0.000 0.254 112 G C 0.060 174.983 174.900 0.038 0.000 0.982 112 G CA 0.252 45.381 45.100 0.048 0.000 0.632 112 G HN 0.332 nan 8.290 nan 0.000 0.529 113 E N -0.836 119.363 120.200 -0.001 0.000 2.314 113 E HA 0.716 5.066 4.350 0.000 0.000 0.262 113 E C 0.906 177.419 176.600 -0.145 0.000 1.093 113 E CA -0.627 55.723 56.400 -0.084 0.000 0.908 113 E CB 0.800 30.451 29.700 -0.082 0.000 1.091 113 E HN 0.470 nan 8.360 nan 0.000 0.425 114 L N 2.373 123.388 121.223 -0.346 0.000 3.385 114 L HA -0.181 4.159 4.340 0.000 0.000 0.550 114 L C -0.763 175.920 176.870 -0.312 0.000 1.326 114 L CA -0.178 54.431 54.840 -0.385 0.000 0.932 114 L CB -1.522 40.438 42.059 -0.166 0.000 1.684 114 L HN 0.671 nan 8.230 nan 0.000 0.848 115 H N -2.121 116.905 119.070 -0.074 0.000 3.195 115 H HA 0.353 4.909 4.556 0.000 0.000 0.241 115 H C 0.457 175.706 175.328 -0.131 0.000 1.823 115 H CA -0.220 55.787 56.048 -0.068 0.000 1.466 115 H CB -0.084 29.656 29.762 -0.036 0.000 1.819 115 H HN 0.304 nan 8.280 nan 0.000 0.575 116 D N 0.331 120.647 120.400 -0.142 0.000 2.310 116 D HA -0.032 4.608 4.640 0.000 0.000 0.470 116 D C -0.538 175.636 176.300 -0.210 0.000 1.038 116 D CA 0.026 53.873 54.000 -0.256 0.000 1.012 116 D CB 0.562 41.044 40.800 -0.529 0.000 1.458 116 D HN 0.407 nan 8.370 nan 0.000 0.457 117 Y N 1.357 121.666 120.300 0.015 0.000 2.425 117 Y HA 0.408 4.959 4.550 0.000 0.000 0.344 117 Y C 0.707 176.576 175.900 -0.051 0.000 0.969 117 Y CA -0.775 57.308 58.100 -0.029 0.000 1.052 117 Y CB 2.097 40.525 38.460 -0.054 0.000 1.215 117 Y HN -0.159 nan 8.280 nan 0.000 0.451 118 S N 1.416 117.164 115.700 0.079 0.000 3.255 118 S HA 0.616 5.086 4.470 0.000 0.000 0.305 118 S C -0.812 173.761 174.600 -0.045 0.000 1.067 118 S CA -0.710 57.504 58.200 0.022 0.000 0.966 118 S CB 0.969 64.190 63.200 0.035 0.000 1.366 118 S HN 0.508 nan 8.310 nan 0.000 0.717 119 I N -1.076 119.481 120.570 -0.021 0.000 2.934 119 I HA 0.636 4.806 4.170 0.000 0.000 0.312 119 I C 0.808 176.916 176.117 -0.015 0.000 1.342 119 I CA -0.709 60.576 61.300 -0.026 0.000 0.946 119 I CB 0.275 38.283 38.000 0.013 0.000 2.034 119 I HN 0.419 nan 8.210 nan 0.000 0.604 120 R N 1.416 121.896 120.500 -0.034 0.000 2.438 120 R HA -0.078 4.262 4.340 0.000 0.000 0.227 120 R C 0.162 176.466 176.300 0.006 0.000 1.153 120 R CA 1.056 57.155 56.100 -0.001 0.000 1.059 120 R CB -0.369 29.942 30.300 0.019 0.000 0.831 120 R HN 0.698 nan 8.270 nan 0.000 0.487 121 D N -0.889 119.515 120.400 0.006 0.000 2.752 121 D HA -0.001 4.639 4.640 0.000 0.000 0.242 121 D C -0.253 176.070 176.300 0.039 0.000 1.295 121 D CA -0.065 53.945 54.000 0.016 0.000 0.846 121 D CB 0.290 41.102 40.800 0.019 0.000 1.454 121 D HN 0.044 nan 8.370 nan 0.000 0.535 122 E N 0.611 120.835 120.200 0.040 0.000 2.331 122 E HA -0.157 4.193 4.350 0.000 0.000 0.199 122 E C 1.716 178.387 176.600 0.119 0.000 1.008 122 E CA 0.740 57.196 56.400 0.094 0.000 0.843 122 E CB 0.416 30.143 29.700 0.045 0.000 0.761 122 E HN 0.542 nan 8.360 nan 0.000 0.507 123 A N 1.635 124.481 122.820 0.044 0.000 1.845 123 A HA -0.224 4.096 4.320 0.000 0.000 0.215 123 A C 2.096 179.747 177.584 0.112 0.000 1.195 123 A CA 1.748 53.811 52.037 0.043 0.000 0.616 123 A CB -0.344 18.660 19.000 0.006 0.000 0.832 123 A HN 0.070 nan 8.150 nan 0.000 0.443 124 K N -0.761 119.689 120.400 0.084 0.000 2.057 124 K HA -0.100 4.220 4.320 0.000 0.000 0.206 124 K C 1.853 178.516 176.600 0.105 0.000 1.050 124 K CA 1.335 57.673 56.287 0.085 0.000 0.935 124 K CB -0.318 32.221 32.500 0.066 0.000 0.715 124 K HN 0.319 nan 8.250 nan 0.000 0.439 125 L N 0.370 121.660 121.223 0.112 0.000 2.189 125 L HA -0.184 4.156 4.340 0.000 0.000 0.214 125 L C 1.618 178.539 176.870 0.084 0.000 1.097 125 L CA 1.747 56.645 54.840 0.098 0.000 0.764 125 L CB -0.559 41.562 42.059 0.104 0.000 0.900 125 L HN 0.244 nan 8.230 nan 0.000 0.436 126 Y N -0.653 119.647 120.300 0.001 0.000 2.231 126 Y HA 0.102 4.652 4.550 0.000 0.000 0.294 126 Y C 2.553 178.444 175.900 -0.015 0.000 1.120 126 Y CA 1.312 59.407 58.100 -0.009 0.000 1.141 126 Y CB -0.710 37.745 38.460 -0.009 0.000 1.022 126 Y HN 0.232 nan 8.280 nan 0.000 0.523 127 A N 0.400 123.304 122.820 0.139 0.000 1.917 127 A HA -0.224 4.096 4.320 0.000 0.000 0.219 127 A C 2.184 179.772 177.584 0.006 0.000 1.182 127 A CA 2.112 54.189 52.037 0.066 0.000 0.633 127 A CB -1.215 17.823 19.000 0.064 0.000 0.819 127 A HN 0.492 nan 8.150 nan 0.000 0.448 128 I N -0.147 120.427 120.570 0.008 0.000 2.069 128 I HA -0.347 3.823 4.170 0.000 0.000 0.237 128 I C 3.000 179.026 176.117 -0.150 0.000 1.053 128 I CA 1.398 62.672 61.300 -0.043 0.000 1.311 128 I CB -0.678 37.341 38.000 0.031 0.000 1.030 128 I HN 0.347 nan 8.210 nan 0.000 0.398 129 A N 0.833 123.558 122.820 -0.158 0.000 1.940 129 A HA -0.346 3.974 4.320 0.000 0.000 0.221 129 A C 2.407 179.882 177.584 -0.182 0.000 1.190 129 A CA 2.498 54.410 52.037 -0.210 0.000 0.647 129 A CB -0.829 17.998 19.000 -0.289 0.000 0.821 129 A HN 0.484 nan 8.150 nan 0.000 0.457 130 K N -1.017 119.303 120.400 -0.133 0.000 1.987 130 K HA -0.204 4.116 4.320 0.000 0.000 0.216 130 K C 1.992 178.527 176.600 -0.109 0.000 1.051 130 K CA 2.237 58.469 56.287 -0.091 0.000 0.942 130 K CB -0.686 31.792 32.500 -0.038 0.000 0.722 130 K HN 0.453 nan 8.250 nan 0.000 0.444 131 T N 1.988 116.470 114.554 -0.120 0.000 2.759 131 T HA -0.099 4.251 4.350 0.000 0.000 0.269 131 T C 1.596 176.171 174.700 -0.208 0.000 1.042 131 T CA 1.263 63.279 62.100 -0.140 0.000 1.140 131 T CB -0.063 68.728 68.868 -0.127 0.000 0.864 131 T HN 0.229 nan 8.240 nan 0.000 0.455 132 L N 0.864 121.912 121.223 -0.291 0.000 2.645 132 L HA 0.275 4.615 4.340 0.000 0.000 0.234 132 L C 1.673 178.406 176.870 -0.229 0.000 1.165 132 L CA -0.029 54.605 54.840 -0.344 0.000 0.944 132 L CB -0.724 41.029 42.059 -0.511 0.000 1.149 132 L HN 0.460 nan 8.230 nan 0.000 0.446 133 G N 0.502 109.200 108.800 -0.171 0.000 2.225 133 G HA2 -0.257 3.704 3.960 0.000 0.000 0.267 133 G HA3 -0.257 3.704 3.960 0.000 0.000 0.267 133 G C 0.118 174.943 174.900 -0.125 0.000 1.024 133 G CA 0.179 45.203 45.100 -0.127 0.000 0.784 133 G HN 0.183 nan 8.290 nan 0.000 0.507 134 V N 0.765 120.590 119.914 -0.149 0.000 2.348 134 V HA 0.678 4.798 4.120 0.000 0.000 0.270 134 V C 1.016 177.023 176.094 -0.145 0.000 1.037 134 V CA -0.531 61.681 62.300 -0.146 0.000 0.872 134 V CB 1.006 32.725 31.823 -0.174 0.000 1.002 134 V HN 1.060 nan 8.190 nan 0.000 0.464 135 A N 4.054 126.806 122.820 -0.113 0.000 2.520 135 A HA 0.432 4.752 4.320 0.000 0.000 0.245 135 A C 1.249 178.752 177.584 -0.135 0.000 1.072 135 A CA 0.603 52.582 52.037 -0.097 0.000 0.761 135 A CB 0.188 19.151 19.000 -0.063 0.000 1.004 135 A HN 1.072 nan 8.150 nan 0.000 0.499 136 T N -0.941 113.533 114.554 -0.133 0.000 2.964 136 T HA 0.127 4.477 4.350 0.000 0.000 0.249 136 T C 0.283 175.000 174.700 0.029 0.000 1.000 136 T CA -0.127 61.863 62.100 -0.183 0.000 0.992 136 T CB -0.174 68.418 68.868 -0.461 0.000 1.087 136 T HN 0.568 nan 8.240 nan 0.000 0.489 137 E N 2.306 122.533 120.200 0.045 0.000 2.905 137 E HA 0.196 4.546 4.350 0.000 0.000 0.240 137 E C 1.496 178.128 176.600 0.052 0.000 0.990 137 E CA 0.995 57.433 56.400 0.064 0.000 0.954 137 E CB -0.425 29.295 29.700 0.033 0.000 0.908 137 E HN 0.724 nan 8.360 nan 0.000 0.532 138 G N 4.134 112.975 108.800 0.069 0.000 2.225 138 G HA2 -0.429 3.531 3.960 0.000 0.000 0.272 138 G HA3 -0.429 3.531 3.960 0.000 0.000 0.272 138 G C 1.246 176.173 174.900 0.044 0.000 0.996 138 G CA 1.155 46.284 45.100 0.049 0.000 0.710 138 G HN 0.534 nan 8.290 nan 0.000 0.522 139 R N 0.100 120.630 120.500 0.050 0.000 2.052 139 R HA 0.362 4.702 4.340 0.000 0.000 0.226 139 R C 1.511 177.837 176.300 0.043 0.000 1.145 139 R CA 1.076 57.194 56.100 0.030 0.000 0.952 139 R CB -0.147 30.154 30.300 0.001 0.000 0.847 139 R HN 1.449 nan 8.270 nan 0.000 0.431 140 G N 0.816 109.663 108.800 0.077 0.000 3.445 140 G HA2 -0.121 3.839 3.960 0.000 0.000 0.686 140 G HA3 -0.121 3.839 3.960 0.000 0.000 0.686 140 G C 0.078 175.022 174.900 0.073 0.000 1.113 140 G CA -0.378 44.770 45.100 0.081 0.000 0.974 140 G HN 0.149 nan 8.290 nan 0.000 0.492 141 L N 1.970 123.263 121.223 0.116 0.000 2.476 141 L HA -0.323 4.017 4.340 0.000 0.000 0.245 141 L C 2.901 179.798 176.870 0.045 0.000 1.272 141 L CA 3.239 58.139 54.840 0.100 0.000 0.790 141 L CB -1.109 41.005 42.059 0.091 0.000 1.077 141 L HN 0.892 nan 8.230 nan 0.000 0.406 142 L N -1.208 120.039 121.223 0.039 0.000 2.563 142 L HA -0.244 4.096 4.340 0.000 0.000 0.230 142 L C 2.172 179.051 176.870 0.016 0.000 1.162 142 L CA 1.031 55.888 54.840 0.028 0.000 0.812 142 L CB -0.765 41.313 42.059 0.031 0.000 0.935 142 L HN 0.639 nan 8.230 nan 0.000 0.451 143 A N -0.629 122.195 122.820 0.007 0.000 2.085 143 A HA 0.140 4.460 4.320 0.000 0.000 0.208 143 A C 2.025 179.591 177.584 -0.030 0.000 1.191 143 A CA 0.101 52.134 52.037 -0.007 0.000 0.799 143 A CB 0.019 19.015 19.000 -0.006 0.000 0.877 143 A HN 0.314 nan 8.150 nan 0.000 0.473 144 I N -0.706 119.837 120.570 -0.046 0.000 2.480 144 I HA -0.089 4.081 4.170 0.000 0.000 0.251 144 I C 2.113 178.191 176.117 -0.065 0.000 1.124 144 I CA 0.579 61.818 61.300 -0.101 0.000 1.444 144 I CB -0.110 37.778 38.000 -0.187 0.000 1.098 144 I HN 0.080 nan 8.210 nan 0.000 0.428 145 V N 1.289 121.188 119.914 -0.023 0.000 2.427 145 V HA -0.159 3.961 4.120 0.000 0.000 0.248 145 V C 2.530 178.625 176.094 0.003 0.000 1.051 145 V CA 2.178 64.477 62.300 -0.002 0.000 1.048 145 V CB -1.076 30.756 31.823 0.015 0.000 0.666 145 V HN 0.557 nan 8.190 nan 0.000 0.456 146 G N -0.411 108.390 108.800 0.001 0.000 2.394 146 G HA2 -0.192 3.768 3.960 0.000 0.000 0.214 146 G HA3 -0.192 3.768 3.960 0.000 0.000 0.214 146 G C 1.159 176.059 174.900 0.001 0.000 1.176 146 G CA 0.901 46.005 45.100 0.008 0.000 0.786 146 G HN 0.516 nan 8.290 nan 0.000 0.533 147 D N 0.688 121.077 120.400 -0.019 0.000 2.097 147 D HA -0.073 4.567 4.640 0.000 0.000 0.195 147 D C 2.592 178.877 176.300 -0.025 0.000 0.989 147 D CA 0.393 54.376 54.000 -0.028 0.000 0.827 147 D CB -0.419 40.348 40.800 -0.054 0.000 0.966 147 D HN 0.241 nan 8.370 nan 0.000 0.456 148 L N 0.552 121.755 121.223 -0.033 0.000 2.043 148 L HA -0.240 4.100 4.340 0.000 0.000 0.212 148 L C 2.399 179.306 176.870 0.061 0.000 1.075 148 L CA 1.325 56.159 54.840 -0.011 0.000 0.752 148 L CB -0.506 41.555 42.059 0.003 0.000 0.891 148 L HN 0.041 nan 8.230 nan 0.000 0.432 149 A N -0.406 122.444 122.820 0.049 0.000 1.969 149 A HA -0.092 4.228 4.320 0.000 0.000 0.218 149 A C 2.459 180.079 177.584 0.061 0.000 1.169 149 A CA 1.596 53.668 52.037 0.058 0.000 0.635 149 A CB -0.477 18.540 19.000 0.029 0.000 0.810 149 A HN 0.431 nan 8.150 nan 0.000 0.445 150 A N -0.311 122.534 122.820 0.042 0.000 1.930 150 A HA 0.115 4.435 4.320 0.000 0.000 0.215 150 A C 2.071 179.689 177.584 0.057 0.000 1.176 150 A CA 1.111 53.173 52.037 0.042 0.000 0.632 150 A CB -0.412 18.601 19.000 0.021 0.000 0.819 150 A HN 0.458 nan 8.150 nan 0.000 0.445 151 I N -0.805 119.790 120.570 0.042 0.000 2.163 151 I HA -0.195 3.975 4.170 0.000 0.000 0.240 151 I C 2.643 178.841 176.117 0.135 0.000 1.081 151 I CA 1.686 63.004 61.300 0.030 0.000 1.353 151 I CB -0.724 37.235 38.000 -0.068 0.000 1.054 151 I HN 0.218 nan 8.210 nan 0.000 0.407 152 T N 1.359 116.058 114.554 0.243 0.000 2.635 152 T HA -0.186 4.164 4.350 0.000 0.000 0.267 152 T C 1.836 176.766 174.700 0.384 0.000 1.040 152 T CA 1.490 63.866 62.100 0.460 0.000 1.156 152 T CB -0.323 68.833 68.868 0.480 0.000 0.863 152 T HN 0.068 nan 8.240 nan 0.000 0.430 153 L N 1.073 122.444 121.223 0.247 0.000 2.261 153 L HA 0.036 4.376 4.340 0.000 0.000 0.216 153 L C 2.650 179.684 176.870 0.272 0.000 1.114 153 L CA 1.398 56.368 54.840 0.218 0.000 0.777 153 L CB -1.198 40.899 42.059 0.064 0.000 0.910 153 L HN 0.361 nan 8.230 nan 0.000 0.440 154 G N -1.267 107.649 108.800 0.193 0.000 2.422 154 G HA2 -0.266 3.694 3.960 0.000 0.000 0.218 154 G HA3 -0.266 3.694 3.960 0.000 0.000 0.218 154 G C 1.233 176.207 174.900 0.123 0.000 1.146 154 G CA 0.637 45.815 45.100 0.131 0.000 0.769 154 G HN 0.313 nan 8.290 nan 0.000 0.547 155 D N -0.279 120.205 120.400 0.139 0.000 2.384 155 D HA -0.009 4.631 4.640 0.000 0.000 0.222 155 D C 1.235 177.404 176.300 -0.218 0.000 0.976 155 D CA 0.466 54.445 54.000 -0.036 0.000 0.915 155 D CB -0.119 40.655 40.800 -0.043 0.000 0.896 155 D HN 0.417 nan 8.370 nan 0.000 0.523 156 F N -0.450 119.490 119.950 -0.017 0.000 2.706 156 F HA 0.174 4.701 4.527 0.000 0.000 0.308 156 F C 1.849 177.632 175.800 -0.028 0.000 1.095 156 F CA -0.037 57.944 58.000 -0.032 0.000 1.244 156 F CB 0.429 39.418 39.000 -0.017 0.000 1.063 156 F HN -0.059 nan 8.300 nan 0.000 0.582 157 Q N -1.013 118.872 119.800 0.141 0.000 2.211 157 Q HA 0.156 4.496 4.340 0.000 0.000 0.242 157 Q C 0.209 176.245 176.000 0.060 0.000 0.825 157 Q CA -0.242 55.616 55.803 0.092 0.000 0.951 157 Q CB -0.166 28.630 28.738 0.096 0.000 1.130 157 Q HN 0.086 nan 8.270 nan 0.000 0.496 158 N N 2.005 120.729 118.700 0.040 0.000 2.412 158 N HA -0.095 4.645 4.740 0.000 0.000 0.258 158 N C 0.235 175.820 175.510 0.124 0.000 1.236 158 N CA 0.637 53.726 53.050 0.065 0.000 0.882 158 N CB 0.714 39.233 38.487 0.054 0.000 1.066 158 N HN 0.073 nan 8.380 nan 0.000 0.465 159 Q N 1.012 120.905 119.800 0.154 0.000 2.219 159 Q HA 0.084 4.424 4.340 0.000 0.000 0.209 159 Q C -0.747 175.377 176.000 0.207 0.000 0.854 159 Q CA -0.017 55.906 55.803 0.199 0.000 0.960 159 Q CB 0.034 28.844 28.738 0.121 0.000 1.116 159 Q HN 0.632 nan 8.270 nan 0.000 0.500 160 D N -0.121 120.401 120.400 0.203 0.000 2.428 160 D HA -0.007 4.633 4.640 0.000 0.000 0.221 160 D C 0.540 176.858 176.300 0.029 0.000 1.123 160 D CA -0.605 53.460 54.000 0.109 0.000 0.869 160 D CB 0.188 41.032 40.800 0.073 0.000 1.032 160 D HN -0.000 nan 8.370 nan 0.000 0.506 161 Y N 2.839 122.947 120.300 -0.320 0.000 2.365 161 Y HA -0.194 4.356 4.550 0.000 0.000 0.287 161 Y C 0.970 176.681 175.900 -0.315 0.000 1.162 161 Y CA 1.662 59.338 58.100 -0.708 0.000 1.260 161 Y CB 0.372 38.556 38.460 -0.459 0.000 0.976 161 Y HN 0.424 nan 8.280 nan 0.000 0.548 162 D N -0.573 119.787 120.400 -0.066 0.000 2.369 162 D HA 0.022 4.662 4.640 0.000 0.000 0.211 162 D C 0.193 176.470 176.300 -0.039 0.000 1.077 162 D CA 0.266 54.235 54.000 -0.051 0.000 0.842 162 D CB 0.068 40.875 40.800 0.013 0.000 0.947 162 D HN 0.210 nan 8.370 nan 0.000 0.509 163 K N 2.317 122.711 120.400 -0.011 0.000 2.257 163 K HA 0.269 4.589 4.320 0.000 0.000 0.270 163 K C -2.703 173.903 176.600 0.009 0.000 1.098 163 K CA -1.894 54.397 56.287 0.006 0.000 0.943 163 K CB 1.180 33.696 32.500 0.026 0.000 1.316 163 K HN -0.237 nan 8.250 nan 0.000 0.447 164 P HA -0.105 nan 4.420 nan 0.000 0.267 164 P C -0.418 176.867 177.300 -0.024 0.000 1.195 164 P CA -0.247 62.836 63.100 -0.029 0.000 0.773 164 P CB 0.446 32.124 31.700 -0.037 0.000 0.837 165 C N 2.040 121.319 119.300 -0.036 0.000 2.662 165 C HA 0.223 4.683 4.460 0.000 0.000 0.420 165 C C 2.168 177.153 174.990 -0.009 0.000 1.314 165 C CA 0.650 59.651 59.018 -0.029 0.000 1.963 165 C CB -0.324 27.383 27.740 -0.053 0.000 2.686 165 C HN 0.696 nan 8.230 nan 0.000 0.609 166 A N 2.563 125.381 122.820 -0.004 0.000 1.849 166 A HA -0.191 4.129 4.320 0.000 0.000 0.217 166 A C 1.800 179.334 177.584 -0.083 0.000 1.202 166 A CA 1.786 53.776 52.037 -0.078 0.000 0.629 166 A CB -0.884 18.025 19.000 -0.152 0.000 0.834 166 A HN 0.996 nan 8.150 nan 0.000 0.447 167 W N -0.086 121.163 121.300 -0.086 0.000 2.305 167 W HA -0.194 4.466 4.660 0.000 0.000 0.308 167 W C 2.215 178.668 176.519 -0.110 0.000 1.226 167 W CA 1.465 58.753 57.345 -0.096 0.000 1.253 167 W CB -0.674 28.720 29.460 -0.109 0.000 1.146 167 W HN 0.268 nan 8.180 nan 0.000 0.507 168 L N -0.430 120.854 121.223 0.102 0.000 1.994 168 L HA -0.212 4.128 4.340 0.000 0.000 0.208 168 L C 2.664 179.522 176.870 -0.021 0.000 1.071 168 L CA 1.477 56.317 54.840 0.000 0.000 0.745 168 L CB -1.300 40.733 42.059 -0.043 0.000 0.892 168 L HN 0.018 nan 8.230 nan 0.000 0.431 169 A N -0.409 122.393 122.820 -0.030 0.000 2.024 169 A HA -0.161 4.159 4.320 0.000 0.000 0.220 169 A C 2.318 179.871 177.584 -0.052 0.000 1.164 169 A CA 1.831 53.842 52.037 -0.042 0.000 0.643 169 A CB -0.544 18.427 19.000 -0.048 0.000 0.806 169 A HN 0.471 nan 8.150 nan 0.000 0.451 170 A N -1.575 121.206 122.820 -0.065 0.000 2.044 170 A HA 0.234 4.554 4.320 0.000 0.000 0.213 170 A C 2.036 179.589 177.584 -0.051 0.000 1.169 170 A CA 1.313 53.298 52.037 -0.086 0.000 0.724 170 A CB -0.085 18.815 19.000 -0.167 0.000 0.840 170 A HN 0.379 nan 8.150 nan 0.000 0.463 171 S N -0.566 115.125 115.700 -0.016 0.000 2.540 171 S HA 0.394 4.864 4.470 0.000 0.000 0.218 171 S C 0.326 174.916 174.600 -0.017 0.000 0.977 171 S CA -0.253 57.948 58.200 0.003 0.000 0.918 171 S CB -0.044 63.190 63.200 0.056 0.000 0.806 171 S HN 0.381 nan 8.310 nan 0.000 0.496 172 L N 2.106 123.313 121.223 -0.027 0.000 2.352 172 L HA 0.411 4.751 4.340 0.000 0.000 0.269 172 L C 0.761 177.618 176.870 -0.022 0.000 1.034 172 L CA -0.925 53.897 54.840 -0.030 0.000 0.806 172 L CB 0.922 42.959 42.059 -0.037 0.000 1.244 172 L HN 0.100 nan 8.230 nan 0.000 0.447 173 T N -1.592 112.953 114.554 -0.016 0.000 2.933 173 T HA 0.025 4.375 4.350 0.000 0.000 0.306 173 T C -1.452 173.239 174.700 -0.015 0.000 1.045 173 T CA -0.999 61.093 62.100 -0.013 0.000 1.143 173 T CB 0.497 69.360 68.868 -0.008 0.000 1.003 173 T HN 0.513 nan 8.240 nan 0.000 0.540 174 P HA -0.140 nan 4.420 nan 0.000 0.219 174 P C 1.456 178.748 177.300 -0.013 0.000 1.146 174 P CA 0.874 63.964 63.100 -0.016 0.000 0.808 174 P CB 0.134 31.824 31.700 -0.016 0.000 0.779 175 R N -0.230 120.265 120.500 -0.009 0.000 2.073 175 R HA -0.099 4.241 4.340 0.000 0.000 0.234 175 R C 2.659 178.956 176.300 -0.005 0.000 1.134 175 R CA 1.088 57.185 56.100 -0.006 0.000 0.952 175 R CB -0.316 29.981 30.300 -0.004 0.000 0.850 175 R HN -0.120 nan 8.270 nan 0.000 0.433 176 R N 0.329 120.826 120.500 -0.006 0.000 2.073 176 R HA -0.087 4.253 4.340 0.000 0.000 0.234 176 R C 2.170 178.465 176.300 -0.008 0.000 1.134 176 R CA 1.413 57.510 56.100 -0.005 0.000 0.952 176 R CB -0.860 29.437 30.300 -0.006 0.000 0.850 176 R HN 0.191 nan 8.270 nan 0.000 0.433 177 V N 1.877 121.782 119.914 -0.014 0.000 2.380 177 V HA -0.241 3.879 4.120 0.000 0.000 0.251 177 V C 2.633 178.718 176.094 -0.014 0.000 1.063 177 V CA 1.694 63.983 62.300 -0.018 0.000 1.055 177 V CB -0.477 31.332 31.823 -0.023 0.000 0.657 177 V HN 0.259 nan 8.190 nan 0.000 0.455 178 K N 0.153 120.546 120.400 -0.011 0.000 2.062 178 K HA -0.131 4.189 4.320 0.000 0.000 0.205 178 K C 2.337 178.935 176.600 -0.003 0.000 1.051 178 K CA 1.347 57.629 56.287 -0.008 0.000 0.941 178 K CB -0.145 32.351 32.500 -0.006 0.000 0.719 178 K HN 0.389 nan 8.250 nan 0.000 0.440 179 R N 0.514 121.014 120.500 -0.001 0.000 2.061 179 R HA -0.025 4.315 4.340 0.000 0.000 0.230 179 R C 2.538 178.842 176.300 0.006 0.000 1.140 179 R CA 1.231 57.334 56.100 0.004 0.000 0.940 179 R CB -0.324 29.980 30.300 0.007 0.000 0.839 179 R HN 0.107 nan 8.270 nan 0.000 0.429 180 L N -0.203 121.022 121.223 0.004 0.000 2.042 180 L HA -0.138 4.202 4.340 0.000 0.000 0.210 180 L C 2.598 179.467 176.870 -0.000 0.000 1.076 180 L CA 1.574 56.417 54.840 0.005 0.000 0.749 180 L CB -1.080 40.979 42.059 0.000 0.000 0.893 180 L HN 0.520 nan 8.230 nan 0.000 0.432 181 G N -0.003 108.793 108.800 -0.008 0.000 2.469 181 G HA2 -0.280 3.680 3.960 0.000 0.000 0.219 181 G HA3 -0.280 3.680 3.960 0.000 0.000 0.219 181 G C 1.157 176.056 174.900 -0.001 0.000 1.150 181 G CA 1.067 46.160 45.100 -0.011 0.000 0.763 181 G HN 0.355 nan 8.290 nan 0.000 0.561 182 D N 0.144 120.546 120.400 0.004 0.000 2.219 182 D HA -0.036 4.604 4.640 0.000 0.000 0.205 182 D C 2.112 178.422 176.300 0.016 0.000 0.970 182 D CA 0.528 54.534 54.000 0.009 0.000 0.851 182 D CB 0.030 40.836 40.800 0.008 0.000 0.943 182 D HN 0.216 nan 8.370 nan 0.000 0.488 183 L N -0.426 120.807 121.223 0.018 0.000 2.591 183 L HA 0.226 4.566 4.340 0.000 0.000 0.228 183 L C 1.667 178.556 176.870 0.033 0.000 1.133 183 L CA 0.399 55.255 54.840 0.026 0.000 0.880 183 L CB -0.435 41.640 42.059 0.027 0.000 1.033 183 L HN 0.070 nan 8.230 nan 0.000 0.450 184 G N -0.231 108.584 108.800 0.025 0.000 2.179 184 G HA2 -0.298 3.662 3.960 0.000 0.000 0.257 184 G HA3 -0.298 3.662 3.960 0.000 0.000 0.257 184 G C 0.830 175.739 174.900 0.015 0.000 1.010 184 G CA 0.544 45.661 45.100 0.028 0.000 0.736 184 G HN 0.381 nan 8.290 nan 0.000 0.513 185 L N -0.979 120.251 121.223 0.011 0.000 2.611 185 L HA 0.372 4.712 4.340 0.000 0.000 0.229 185 L C 0.751 177.615 176.870 -0.011 0.000 1.137 185 L CA -0.268 54.580 54.840 0.014 0.000 0.901 185 L CB 0.174 42.250 42.059 0.030 0.000 1.098 185 L HN 0.162 nan 8.230 nan 0.000 0.456 186 L N 2.686 123.885 121.223 -0.040 0.000 2.255 186 L HA 0.404 4.744 4.340 0.000 0.000 0.289 186 L C -1.914 174.902 176.870 -0.091 0.000 1.046 186 L CA -1.856 52.950 54.840 -0.056 0.000 0.816 186 L CB 0.851 42.879 42.059 -0.052 0.000 1.197 186 L HN -0.181 nan 8.230 nan 0.000 0.427 187 P HA 0.092 nan 4.420 nan 0.000 0.272 187 P C -0.344 176.923 177.300 -0.055 0.000 1.223 187 P CA 0.106 63.163 63.100 -0.071 0.000 0.784 187 P CB 0.699 32.351 31.700 -0.080 0.000 0.923 188 H N 0.040 118.981 119.070 -0.214 0.000 2.885 188 H HA 0.259 4.815 4.556 0.000 0.000 0.260 188 H C -0.305 174.958 175.328 -0.108 0.000 0.985 188 H CA 0.019 55.971 56.048 -0.160 0.000 1.210 188 H CB 0.385 30.037 29.762 -0.183 0.000 1.466 188 H HN 0.352 nan 8.280 nan 0.000 0.493 189 N N 0.711 118.978 118.700 -0.720 0.000 2.537 189 N HA 0.121 4.861 4.740 0.000 0.000 0.281 189 N C 0.477 175.737 175.510 -0.416 0.000 1.097 189 N CA -0.387 52.326 53.050 -0.561 0.000 0.964 189 N CB 1.160 39.252 38.487 -0.658 0.000 1.588 189 N HN 0.058 nan 8.380 nan 0.000 0.511 190 I N 1.390 121.707 120.570 -0.423 0.000 2.069 190 I HA -0.274 3.896 4.170 0.000 0.000 0.237 190 I C 1.287 177.286 176.117 -0.197 0.000 1.053 190 I CA 1.250 62.326 61.300 -0.374 0.000 1.311 190 I CB -0.072 37.523 38.000 -0.674 0.000 1.030 190 I HN 0.508 nan 8.210 nan 0.000 0.398 191 D N 0.983 121.311 120.400 -0.121 0.000 2.123 191 D HA -0.151 4.489 4.640 0.000 0.000 0.196 191 D C 2.219 178.512 176.300 -0.011 0.000 0.992 191 D CA 1.639 55.647 54.000 0.014 0.000 0.833 191 D CB -0.246 40.625 40.800 0.119 0.000 0.954 191 D HN 0.379 nan 8.370 nan 0.000 0.455 192 A N 0.266 123.050 122.820 -0.060 0.000 1.972 192 A HA -0.151 4.169 4.320 0.000 0.000 0.219 192 A C 2.424 180.019 177.584 0.019 0.000 1.169 192 A CA 1.743 53.768 52.037 -0.020 0.000 0.635 192 A CB -0.477 18.476 19.000 -0.079 0.000 0.810 192 A HN 0.148 nan 8.150 nan 0.000 0.446 193 S N -0.546 115.132 115.700 -0.037 0.000 2.355 193 S HA -0.119 4.351 4.470 0.000 0.000 0.222 193 S C 1.928 176.549 174.600 0.033 0.000 1.031 193 S CA 1.380 59.591 58.200 0.019 0.000 0.993 193 S CB -0.437 62.747 63.200 -0.027 0.000 0.859 193 S HN 0.355 nan 8.310 nan 0.000 0.453 194 V N 2.064 121.986 119.914 0.013 0.000 2.287 194 V HA -0.234 3.886 4.120 0.000 0.000 0.248 194 V C 2.647 178.761 176.094 0.033 0.000 1.053 194 V CA 1.843 64.156 62.300 0.021 0.000 1.027 194 V CB -1.220 30.614 31.823 0.018 0.000 0.646 194 V HN 0.540 nan 8.190 nan 0.000 0.447 195 A N -0.721 122.121 122.820 0.037 0.000 1.877 195 A HA -0.287 4.033 4.320 0.000 0.000 0.216 195 A C 2.141 179.755 177.584 0.050 0.000 1.186 195 A CA 1.951 54.013 52.037 0.041 0.000 0.620 195 A CB -0.531 18.494 19.000 0.042 0.000 0.822 195 A HN 0.649 nan 8.150 nan 0.000 0.443 196 Q N -0.932 118.909 119.800 0.069 0.000 2.291 196 Q HA -0.087 4.253 4.340 0.000 0.000 0.205 196 Q C 1.924 177.966 176.000 0.070 0.000 0.970 196 Q CA 1.513 57.363 55.803 0.078 0.000 0.876 196 Q CB -0.295 28.520 28.738 0.128 0.000 0.935 196 Q HN 0.672 nan 8.270 nan 0.000 0.455 197 T N 0.682 115.275 114.554 0.065 0.000 2.770 197 T HA -0.048 4.302 4.350 0.000 0.000 0.263 197 T C 1.760 176.489 174.700 0.048 0.000 1.039 197 T CA 0.806 62.939 62.100 0.056 0.000 1.142 197 T CB 0.044 68.939 68.868 0.045 0.000 0.868 197 T HN 0.171 nan 8.240 nan 0.000 0.435 198 M N 1.325 120.951 119.600 0.044 0.000 2.175 198 M HA 0.055 4.535 4.480 0.000 0.000 0.264 198 M C 2.624 178.964 176.300 0.066 0.000 1.063 198 M CA 1.000 56.328 55.300 0.048 0.000 1.119 198 M CB -1.596 31.028 32.600 0.040 0.000 1.377 198 M HN 0.235 nan 8.290 nan 0.000 0.415 199 S N 1.127 116.858 115.700 0.052 0.000 2.368 199 S HA -0.141 4.329 4.470 0.000 0.000 0.224 199 S C 1.998 176.633 174.600 0.058 0.000 1.029 199 S CA 1.209 59.433 58.200 0.039 0.000 0.988 199 S CB -0.126 63.083 63.200 0.015 0.000 0.838 199 S HN 0.605 nan 8.310 nan 0.000 0.462 200 R N 0.509 121.043 120.500 0.057 0.000 2.276 200 R HA 0.039 4.379 4.340 0.000 0.000 0.203 200 R C 1.289 177.631 176.300 0.069 0.000 1.017 200 R CA 1.461 57.595 56.100 0.056 0.000 1.010 200 R CB -0.937 29.392 30.300 0.048 0.000 0.900 200 R HN 0.521 nan 8.270 nan 0.000 0.469 201 T N -2.538 112.063 114.554 0.080 0.000 3.176 201 T HA 0.071 4.421 4.350 0.000 0.000 0.263 201 T C 0.097 174.851 174.700 0.090 0.000 1.021 201 T CA -0.587 61.556 62.100 0.072 0.000 0.905 201 T CB -0.344 68.556 68.868 0.053 0.000 1.057 201 T HN 0.385 nan 8.240 nan 0.000 0.558 202 H N 0.958 120.036 119.070 0.014 0.000 2.671 202 H HA 0.498 5.054 4.556 0.000 0.000 0.372 202 H C 0.414 175.748 175.328 0.009 0.000 1.227 202 H CA -0.269 55.785 56.048 0.011 0.000 1.426 202 H CB 0.851 30.618 29.762 0.008 0.000 1.480 202 H HN 0.101 nan 8.280 nan 0.000 0.611 203 V N 3.492 123.125 119.914 -0.469 0.000 2.814 203 V HA 0.165 4.286 4.120 0.000 0.000 0.307 203 V C 1.080 177.171 176.094 -0.005 0.000 1.089 203 V CA 1.284 63.449 62.300 -0.226 0.000 1.212 203 V CB -0.334 31.311 31.823 -0.297 0.000 0.912 203 V HN 1.240 nan 8.190 nan 0.000 0.497 204 G N 3.761 112.565 108.800 0.007 0.000 2.249 204 G HA2 -0.252 3.708 3.960 0.000 0.000 0.273 204 G HA3 -0.252 3.708 3.960 0.000 0.000 0.273 204 G C 0.234 175.170 174.900 0.060 0.000 1.036 204 G CA 0.305 45.426 45.100 0.035 0.000 0.824 204 G HN 1.063 nan 8.290 nan 0.000 0.504 205 C N -1.304 118.034 119.300 0.062 0.000 3.178 205 C HA 0.617 5.077 4.460 0.000 0.000 0.099 205 C C 0.935 175.946 174.990 0.036 0.000 2.497 205 C CA -0.039 59.014 59.018 0.059 0.000 1.927 205 C CB 0.368 28.161 27.740 0.088 0.000 3.085 205 C HN 0.581 nan 8.230 nan 0.000 0.376 206 D N 0.219 120.641 120.400 0.038 0.000 2.401 206 D HA 0.431 5.071 4.640 0.000 0.000 0.254 206 D C 0.289 176.606 176.300 0.029 0.000 1.192 206 D CA 0.486 54.504 54.000 0.030 0.000 0.885 206 D CB 0.899 41.720 40.800 0.035 0.000 1.147 206 D HN 0.565 nan 8.370 nan 0.000 0.478 207 A N 3.549 126.382 122.820 0.022 0.000 2.226 207 A HA 0.109 4.429 4.320 0.000 0.000 0.207 207 A C 0.703 178.301 177.584 0.023 0.000 1.293 207 A CA -0.248 51.801 52.037 0.020 0.000 0.968 207 A CB 0.028 19.033 19.000 0.009 0.000 1.044 207 A HN 0.584 nan 8.150 nan 0.000 0.493 208 D N 0.701 121.115 120.400 0.022 0.000 2.382 208 D HA 0.246 4.886 4.640 0.000 0.000 0.259 208 D C -1.554 174.765 176.300 0.032 0.000 1.224 208 D CA -1.274 52.741 54.000 0.025 0.000 0.894 208 D CB 1.101 41.914 40.800 0.022 0.000 1.127 208 D HN 0.014 nan 8.370 nan 0.000 0.487 209 P HA -0.193 nan 4.420 nan 0.000 0.216 209 P C 1.128 178.453 177.300 0.041 0.000 1.157 209 P CA 1.449 64.572 63.100 0.038 0.000 0.880 209 P CB 0.145 31.868 31.700 0.038 0.000 0.791 210 T N -1.189 113.389 114.554 0.039 0.000 2.737 210 T HA -0.145 4.205 4.350 0.000 0.000 0.265 210 T C 1.771 176.498 174.700 0.045 0.000 1.038 210 T CA 1.215 63.341 62.100 0.043 0.000 1.144 210 T CB -0.988 67.903 68.868 0.038 0.000 0.866 210 T HN 0.192 nan 8.240 nan 0.000 0.434 211 N N 0.992 119.716 118.700 0.040 0.000 2.120 211 N HA -0.034 4.706 4.740 0.000 0.000 0.188 211 N C 1.929 177.469 175.510 0.049 0.000 1.024 211 N CA 0.986 54.062 53.050 0.043 0.000 0.852 211 N CB -0.214 38.294 38.487 0.035 0.000 1.003 211 N HN 0.355 nan 8.380 nan 0.000 0.424 212 L N 0.724 121.975 121.223 0.047 0.000 2.046 212 L HA -0.140 4.200 4.340 0.000 0.000 0.208 212 L C 2.281 179.184 176.870 0.056 0.000 1.077 212 L CA 0.672 55.541 54.840 0.049 0.000 0.747 212 L CB -0.294 41.792 42.059 0.045 0.000 0.896 212 L HN 0.170 nan 8.230 nan 0.000 0.432 213 I N -0.260 120.345 120.570 0.058 0.000 2.394 213 I HA -0.250 3.920 4.170 0.000 0.000 0.251 213 I C 2.451 178.613 176.117 0.076 0.000 1.136 213 I CA 1.503 62.843 61.300 0.068 0.000 1.425 213 I CB -0.820 37.223 38.000 0.072 0.000 1.079 213 I HN 0.279 nan 8.210 nan 0.000 0.425 214 L N 0.395 121.660 121.223 0.070 0.000 2.056 214 L HA -0.101 4.239 4.340 0.000 0.000 0.207 214 L C 2.655 179.571 176.870 0.077 0.000 1.078 214 L CA 1.491 56.374 54.840 0.072 0.000 0.749 214 L CB -1.064 41.034 42.059 0.065 0.000 0.901 214 L HN 0.263 nan 8.230 nan 0.000 0.433 215 G N -0.452 108.395 108.800 0.077 0.000 2.450 215 G HA2 -0.201 3.759 3.960 0.000 0.000 0.220 215 G HA3 -0.201 3.759 3.960 0.000 0.000 0.220 215 G C 1.546 176.494 174.900 0.079 0.000 1.130 215 G CA 0.765 45.916 45.100 0.086 0.000 0.760 215 G HN 0.502 nan 8.290 nan 0.000 0.557 216 G N 0.768 109.612 108.800 0.074 0.000 2.403 216 G HA2 -0.086 3.874 3.960 0.000 0.000 0.216 216 G HA3 -0.086 3.874 3.960 0.000 0.000 0.216 216 G C 1.764 176.717 174.900 0.089 0.000 1.154 216 G CA 0.509 45.653 45.100 0.073 0.000 0.784 216 G HN 0.413 nan 8.290 nan 0.000 0.538 217 L N -0.103 121.177 121.223 0.096 0.000 2.083 217 L HA -0.055 4.285 4.340 0.000 0.000 0.209 217 L C 2.905 179.832 176.870 0.094 0.000 1.083 217 L CA 1.326 56.229 54.840 0.105 0.000 0.752 217 L CB -0.347 41.769 42.059 0.095 0.000 0.899 217 L HN 0.234 nan 8.230 nan 0.000 0.433 218 R N 0.263 120.809 120.500 0.076 0.000 2.066 218 R HA -0.124 4.216 4.340 0.000 0.000 0.232 218 R C 2.173 178.503 176.300 0.050 0.000 1.131 218 R CA 1.527 57.659 56.100 0.054 0.000 0.955 218 R CB -0.198 30.134 30.300 0.052 0.000 0.851 218 R HN 0.147 nan 8.270 nan 0.000 0.432 219 V N 1.209 121.160 119.914 0.061 0.000 2.490 219 V HA -0.175 3.945 4.120 0.000 0.000 0.250 219 V C 2.480 178.620 176.094 0.076 0.000 1.061 219 V CA 1.709 64.040 62.300 0.051 0.000 1.064 219 V CB -0.962 30.892 31.823 0.052 0.000 0.670 219 V HN 0.528 nan 8.190 nan 0.000 0.461 220 A N -0.171 122.721 122.820 0.119 0.000 1.933 220 A HA -0.172 4.148 4.320 0.000 0.000 0.218 220 A C 2.202 179.931 177.584 0.241 0.000 1.175 220 A CA 1.857 54.023 52.037 0.216 0.000 0.628 220 A CB -0.436 18.698 19.000 0.224 0.000 0.814 220 A HN 0.400 nan 8.150 nan 0.000 0.444 221 M N -0.495 119.173 119.600 0.114 0.000 2.296 221 M HA -0.021 4.459 4.480 0.000 0.000 0.265 221 M C 2.311 178.557 176.300 -0.090 0.000 1.064 221 M CA 1.235 56.533 55.300 -0.002 0.000 1.109 221 M CB -1.370 31.222 32.600 -0.013 0.000 1.396 221 M HN 0.488 nan 8.290 nan 0.000 0.430 222 A N -0.369 122.420 122.820 -0.051 0.000 2.119 222 A HA -0.164 4.156 4.320 0.000 0.000 0.217 222 A C 1.885 179.409 177.584 -0.100 0.000 1.153 222 A CA 1.847 53.818 52.037 -0.109 0.000 0.692 222 A CB -0.743 18.198 19.000 -0.099 0.000 0.799 222 A HN 0.491 nan 8.150 nan 0.000 0.458 223 D N -0.600 119.802 120.400 0.003 0.000 2.137 223 D HA -0.076 4.564 4.640 0.000 0.000 0.202 223 D C 1.814 178.045 176.300 -0.114 0.000 0.970 223 D CA 0.780 54.841 54.000 0.103 0.000 0.837 223 D CB -0.100 40.939 40.800 0.400 0.000 0.981 223 D HN 0.335 nan 8.370 nan 0.000 0.475 224 L N 0.186 121.125 121.223 -0.474 0.000 1.994 224 L HA -0.154 4.186 4.340 0.000 0.000 0.208 224 L C 1.938 178.507 176.870 -0.502 0.000 1.071 224 L CA 2.004 56.302 54.840 -0.903 0.000 0.745 224 L CB -0.465 40.874 42.059 -1.201 0.000 0.892 224 L HN 0.138 nan 8.230 nan 0.000 0.431 225 D N -0.681 119.504 120.400 -0.358 0.000 2.133 225 D HA -0.216 4.424 4.640 0.000 0.000 0.192 225 D C 2.002 178.093 176.300 -0.349 0.000 1.001 225 D CA 1.710 55.546 54.000 -0.273 0.000 0.844 225 D CB -0.157 40.516 40.800 -0.211 0.000 0.944 225 D HN 0.414 nan 8.370 nan 0.000 0.447 226 G N -1.063 107.557 108.800 -0.300 0.000 2.422 226 G HA2 -0.207 3.753 3.960 0.000 0.000 0.218 226 G HA3 -0.207 3.753 3.960 0.000 0.000 0.218 226 G C 1.786 176.502 174.900 -0.306 0.000 1.140 226 G CA 0.895 45.841 45.100 -0.258 0.000 0.775 226 G HN 0.267 nan 8.290 nan 0.000 0.545 227 S N 0.407 115.912 115.700 -0.324 0.000 2.368 227 S HA -0.040 4.430 4.470 0.000 0.000 0.224 227 S C 2.422 176.801 174.600 -0.368 0.000 1.029 227 S CA 1.271 59.261 58.200 -0.351 0.000 0.988 227 S CB -0.222 62.777 63.200 -0.336 0.000 0.838 227 S HN 0.368 nan 8.310 nan 0.000 0.462 228 M N 1.076 120.430 119.600 -0.410 0.000 2.064 228 M HA -0.041 4.439 4.480 0.000 0.000 0.260 228 M C 2.332 178.201 176.300 -0.719 0.000 1.073 228 M CA 1.281 56.341 55.300 -0.399 0.000 1.124 228 M CB -0.779 31.668 32.600 -0.255 0.000 1.326 228 M HN 0.287 nan 8.290 nan 0.000 0.410 229 L N 0.747 121.286 121.223 -1.140 0.000 2.034 229 L HA -0.286 4.054 4.340 0.000 0.000 0.217 229 L C 2.543 178.909 176.870 -0.840 0.000 1.077 229 L CA 2.085 55.926 54.840 -1.665 0.000 0.769 229 L CB -0.457 40.916 42.059 -1.142 0.000 0.890 229 L HN 0.317 nan 8.230 nan 0.000 0.435 230 A N -1.040 121.450 122.820 -0.549 0.000 1.930 230 A HA -0.140 4.180 4.320 0.000 0.000 0.217 230 A C 2.176 179.579 177.584 -0.302 0.000 1.175 230 A CA 1.989 53.776 52.037 -0.416 0.000 0.627 230 A CB -0.905 17.780 19.000 -0.525 0.000 0.815 230 A HN 0.573 nan 8.150 nan 0.000 0.443 231 T N -0.105 114.287 114.554 -0.270 0.000 2.732 231 T HA -0.092 4.258 4.350 0.000 0.000 0.261 231 T C 1.853 176.506 174.700 -0.078 0.000 1.040 231 T CA 1.319 63.340 62.100 -0.131 0.000 1.145 231 T CB -0.242 68.566 68.868 -0.100 0.000 0.866 231 T HN 0.459 nan 8.240 nan 0.000 0.427 232 E N 1.485 121.621 120.200 -0.107 0.000 2.021 232 E HA -0.114 4.236 4.350 0.000 0.000 0.200 232 E C 2.364 178.989 176.600 0.041 0.000 1.015 232 E CA 1.103 57.516 56.400 0.021 0.000 0.824 232 E CB -0.746 29.054 29.700 0.168 0.000 0.762 232 E HN 0.436 nan 8.360 nan 0.000 0.454 233 L N 1.015 122.236 121.223 -0.004 0.000 2.127 233 L HA -0.174 4.166 4.340 0.000 0.000 0.211 233 L C 2.603 179.478 176.870 0.007 0.000 1.089 233 L CA 0.850 55.703 54.840 0.022 0.000 0.757 233 L CB -0.399 41.657 42.059 -0.005 0.000 0.899 233 L HN 0.032 nan 8.230 nan 0.000 0.434 234 S N -0.406 115.308 115.700 0.022 0.000 2.368 234 S HA -0.176 4.294 4.470 0.000 0.000 0.224 234 S C 1.553 176.253 174.600 0.168 0.000 1.029 234 S CA 1.250 59.536 58.200 0.144 0.000 0.988 234 S CB -0.202 63.085 63.200 0.146 0.000 0.838 234 S HN 0.439 nan 8.310 nan 0.000 0.462 235 D N 1.635 122.094 120.400 0.099 0.000 2.123 235 D HA -0.049 4.591 4.640 0.000 0.000 0.196 235 D C 2.113 178.445 176.300 0.054 0.000 0.992 235 D CA 1.229 55.283 54.000 0.090 0.000 0.833 235 D CB -0.436 40.401 40.800 0.063 0.000 0.954 235 D HN 0.375 nan 8.370 nan 0.000 0.455 236 A N 0.499 123.335 122.820 0.027 0.000 1.902 236 A HA -0.131 4.189 4.320 0.000 0.000 0.217 236 A C 2.405 179.935 177.584 -0.090 0.000 1.181 236 A CA 0.983 53.018 52.037 -0.004 0.000 0.623 236 A CB -0.741 18.267 19.000 0.013 0.000 0.818 236 A HN 0.227 nan 8.150 nan 0.000 0.443 237 L N -2.636 118.460 121.223 -0.212 0.000 2.156 237 L HA -0.022 4.318 4.340 0.000 0.000 0.208 237 L C 1.503 177.904 176.870 -0.782 0.000 1.095 237 L CA 1.025 55.520 54.840 -0.575 0.000 0.770 237 L CB -0.131 41.371 42.059 -0.928 0.000 0.914 237 L HN 0.487 nan 8.230 nan 0.000 0.439 238 F N -1.107 118.868 119.950 0.041 0.000 2.798 238 F HA 0.451 4.978 4.527 0.000 0.000 0.328 238 F C 0.863 176.692 175.800 0.048 0.000 1.098 238 F CA -0.026 58.017 58.000 0.073 0.000 1.172 238 F CB 0.728 39.787 39.000 0.098 0.000 1.072 238 F HN -0.065 nan 8.300 nan 0.000 0.555 239 G N 1.575 110.456 108.800 0.134 0.000 3.225 239 G HA2 -0.019 3.941 3.960 0.000 0.000 0.686 239 G HA3 -0.019 3.941 3.960 0.000 0.000 0.686 239 G C -0.382 174.551 174.900 0.055 0.000 1.105 239 G CA -0.645 44.494 45.100 0.065 0.000 0.831 239 G HN 0.235 nan 8.290 nan 0.000 0.578 240 T N 3.923 118.495 114.554 0.030 0.000 2.853 240 T HA 0.540 4.890 4.350 0.000 0.000 0.298 240 T C -0.943 173.749 174.700 -0.013 0.000 0.978 240 T CA -0.325 61.787 62.100 0.021 0.000 1.152 240 T CB 0.707 69.586 68.868 0.019 0.000 0.914 240 T HN 0.617 nan 8.240 nan 0.000 0.539 241 P HA 0.180 nan 4.420 nan 0.000 0.268 241 P C -1.186 176.059 177.300 -0.092 0.000 1.205 241 P CA -0.223 62.842 63.100 -0.057 0.000 0.771 241 P CB 0.616 32.292 31.700 -0.040 0.000 0.858 242 Q N 2.428 122.149 119.800 -0.132 0.000 2.451 242 Q HA 0.639 4.979 4.340 0.000 0.000 0.281 242 Q C -2.881 172.968 176.000 -0.252 0.000 1.099 242 Q CA -2.902 52.789 55.803 -0.186 0.000 0.806 242 Q CB -0.712 27.943 28.738 -0.139 0.000 1.419 242 Q HN 0.208 nan 8.270 nan 0.000 0.427 243 P HA -0.019 nan 4.420 nan 0.000 0.261 243 P C -1.084 176.104 177.300 -0.187 0.000 1.158 243 P CA 0.282 63.116 63.100 -0.443 0.000 0.758 243 P CB 0.374 31.785 31.700 -0.482 0.000 0.763 244 V N 4.379 124.233 119.914 -0.099 0.000 3.120 244 V HA 0.384 4.504 4.120 0.000 0.000 0.303 244 V C -0.931 175.185 176.094 0.038 0.000 1.238 244 V CA -0.821 61.463 62.300 -0.027 0.000 1.008 244 V CB 2.649 34.453 31.823 -0.031 0.000 1.064 244 V HN 0.105 nan 8.190 nan 0.000 0.434 245 V N 4.160 124.100 119.914 0.043 0.000 2.617 245 V HA 0.871 4.991 4.120 0.000 0.000 0.298 245 V C 0.315 176.446 176.094 0.062 0.000 1.048 245 V CA 0.514 62.854 62.300 0.066 0.000 0.964 245 V CB 1.634 33.490 31.823 0.056 0.000 1.004 245 V HN 1.103 nan 8.190 nan 0.000 0.466 246 S N 1.690 117.435 115.700 0.076 0.000 2.843 246 S HA 0.912 5.382 4.470 0.000 0.000 0.301 246 S C -1.060 173.585 174.600 0.075 0.000 1.206 246 S CA 0.186 58.428 58.200 0.070 0.000 0.875 246 S CB 1.724 64.970 63.200 0.076 0.000 1.248 246 S HN 1.241 nan 8.310 nan 0.000 0.555 247 A N 0.080 122.943 122.820 0.072 0.000 2.479 247 A HA 1.014 5.334 4.320 0.000 0.000 0.296 247 A C -0.576 177.056 177.584 0.080 0.000 1.121 247 A CA -0.125 51.956 52.037 0.073 0.000 0.743 247 A CB 1.261 20.297 19.000 0.060 0.000 1.323 247 A HN 1.628 nan 8.150 nan 0.000 0.415 248 A N 0.248 123.118 122.820 0.084 0.000 2.564 248 A HA 0.871 5.191 4.320 0.000 0.000 0.288 248 A C -0.190 177.442 177.584 0.079 0.000 1.164 248 A CA 0.021 52.108 52.037 0.083 0.000 0.712 248 A CB 0.757 19.817 19.000 0.100 0.000 1.303 248 A HN 2.498 nan 8.150 nan 0.000 0.418 249 N N -2.172 116.566 118.700 0.063 0.000 5.131 249 N HA -0.153 4.588 4.740 0.000 0.000 0.362 249 N C 0.195 175.737 175.510 0.052 0.000 1.524 249 N CA 0.730 53.813 53.050 0.054 0.000 2.717 249 N CB -0.735 37.804 38.487 0.086 0.000 0.499 249 N HN 0.822 nan 8.380 nan 0.000 0.748 250 L N 0.802 122.043 121.223 0.030 0.000 2.211 250 L HA -0.063 4.277 4.340 0.000 0.000 0.216 250 L C 2.010 178.920 176.870 0.067 0.000 1.092 250 L CA 2.141 57.000 54.840 0.031 0.000 0.767 250 L CB -0.740 41.323 42.059 0.007 0.000 0.894 250 L HN 0.681 nan 8.230 nan 0.000 0.437 251 G N -0.256 108.610 108.800 0.110 0.000 3.197 251 G HA2 0.357 4.317 3.960 0.000 0.000 0.257 251 G HA3 0.357 4.317 3.960 0.000 0.000 0.257 251 G C 0.362 175.309 174.900 0.079 0.000 0.835 251 G CA 0.624 45.793 45.100 0.115 0.000 2.001 251 G HN 0.311 nan 8.290 nan 0.000 0.625 252 V N -2.400 117.550 119.914 0.059 0.000 3.823 252 V HA 0.493 4.614 4.120 0.000 0.000 0.594 252 V C -0.213 175.901 176.094 0.034 0.000 1.832 252 V CA -0.630 61.696 62.300 0.044 0.000 2.447 252 V CB -1.041 30.805 31.823 0.039 0.000 1.172 252 V HN 0.286 nan 8.190 nan 0.000 0.640 253 M N 1.319 120.944 119.600 0.041 0.000 2.106 253 M HA 0.542 5.022 4.480 0.000 0.000 0.288 253 M C -0.583 175.747 176.300 0.051 0.000 0.941 253 M CA -0.414 54.911 55.300 0.041 0.000 0.934 253 M CB 2.568 35.195 32.600 0.045 0.000 1.551 253 M HN 0.130 nan 8.290 nan 0.000 0.437 254 K N 2.256 122.683 120.400 0.045 0.000 2.412 254 K HA 0.164 4.484 4.320 0.000 0.000 0.281 254 K C 0.666 177.315 176.600 0.081 0.000 1.027 254 K CA 0.019 56.336 56.287 0.050 0.000 0.989 254 K CB 1.150 33.667 32.500 0.029 0.000 0.935 254 K HN 0.605 nan 8.250 nan 0.000 0.475 255 R N 1.573 122.124 120.500 0.084 0.000 2.092 255 R HA -0.085 4.255 4.340 0.000 0.000 0.231 255 R C 1.864 178.259 176.300 0.158 0.000 1.119 255 R CA 1.322 57.487 56.100 0.108 0.000 0.970 255 R CB -0.133 30.214 30.300 0.079 0.000 0.864 255 R HN 0.743 nan 8.270 nan 0.000 0.440 256 G N -0.017 108.854 108.800 0.119 0.000 3.088 256 G HA2 0.340 4.300 3.960 0.000 0.000 0.212 256 G HA3 0.340 4.300 3.960 0.000 0.000 0.212 256 G C -0.015 174.912 174.900 0.045 0.000 1.173 256 G CA 0.161 45.334 45.100 0.123 0.000 0.779 256 G HN 0.358 nan 8.290 nan 0.000 0.540 257 A N -0.402 122.435 122.820 0.029 0.000 2.354 257 A HA 0.703 5.023 4.320 0.000 0.000 0.321 257 A C -0.565 176.941 177.584 -0.130 0.000 1.125 257 A CA -0.476 51.500 52.037 -0.102 0.000 0.799 257 A CB 1.765 20.735 19.000 -0.050 0.000 1.293 257 A HN 0.187 nan 8.150 nan 0.000 0.452 258 V N 2.955 122.690 119.914 -0.298 0.000 2.427 258 V HA 0.136 4.256 4.120 0.000 0.000 0.268 258 V C -0.251 175.828 176.094 -0.024 0.000 1.046 258 V CA -0.567 61.618 62.300 -0.192 0.000 0.970 258 V CB 0.272 31.938 31.823 -0.262 0.000 1.001 258 V HN 0.744 nan 8.190 nan 0.000 0.476 259 N N 5.955 124.699 118.700 0.074 0.000 2.426 259 N HA 0.531 5.272 4.740 0.000 0.000 0.257 259 N C -0.710 174.809 175.510 0.016 0.000 1.002 259 N CA -0.176 52.898 53.050 0.040 0.000 0.942 259 N CB 2.025 40.549 38.487 0.062 0.000 1.112 259 N HN 0.548 nan 8.380 nan 0.000 0.499 260 I N 1.396 121.956 120.570 -0.017 0.000 2.439 260 I HA 0.398 4.568 4.170 0.000 0.000 0.285 260 I C -0.126 175.960 176.117 -0.053 0.000 1.021 260 I CA -0.903 60.376 61.300 -0.035 0.000 1.091 260 I CB 1.728 39.704 38.000 -0.041 0.000 1.242 260 I HN 0.341 nan 8.210 nan 0.000 0.439 261 A N 6.448 129.231 122.820 -0.062 0.000 2.305 261 A HA 0.774 5.094 4.320 0.000 0.000 0.322 261 A C -0.329 177.202 177.584 -0.088 0.000 1.187 261 A CA -0.544 51.449 52.037 -0.074 0.000 0.825 261 A CB 1.135 20.090 19.000 -0.075 0.000 1.164 261 A HN 0.580 nan 8.150 nan 0.000 0.498 262 V N 0.968 120.821 119.914 -0.101 0.000 2.417 262 V HA 0.754 4.874 4.120 0.000 0.000 0.291 262 V C -0.588 175.435 176.094 -0.120 0.000 1.024 262 V CA -0.812 61.417 62.300 -0.118 0.000 0.861 262 V CB 1.165 32.904 31.823 -0.140 0.000 0.985 262 V HN 0.851 nan 8.190 nan 0.000 0.436 263 N N 2.805 121.442 118.700 -0.104 0.000 2.260 263 N HA 0.877 5.617 4.740 0.000 0.000 0.293 263 N C -0.120 175.354 175.510 -0.061 0.000 1.058 263 N CA 0.709 53.705 53.050 -0.090 0.000 0.824 263 N CB 2.330 40.779 38.487 -0.064 0.000 1.551 263 N HN 1.329 nan 8.380 nan 0.000 0.475 264 G N 1.501 110.266 108.800 -0.058 0.000 2.384 264 G HA2 -0.001 3.959 3.960 0.000 0.000 0.150 264 G HA3 -0.001 3.959 3.960 0.000 0.000 0.150 264 G C -0.662 174.225 174.900 -0.022 0.000 1.269 264 G CA -0.254 44.876 45.100 0.050 0.000 1.094 264 G HN 0.596 nan 8.290 nan 0.000 0.467 265 H N -0.403 118.581 119.070 -0.142 0.000 3.580 265 H HA 0.290 4.846 4.556 0.000 0.000 0.245 265 H C 0.635 175.719 175.328 -0.408 0.000 1.015 265 H CA 0.224 56.138 56.048 -0.224 0.000 1.113 265 H CB 0.445 30.061 29.762 -0.244 0.000 1.469 265 H HN 0.336 nan 8.280 nan 0.000 0.554 266 N N 3.969 122.529 118.700 -0.233 0.000 2.401 266 N HA 0.044 4.784 4.740 0.000 0.000 0.255 266 N C -1.666 173.762 175.510 -0.138 0.000 1.110 266 N CA -1.635 51.304 53.050 -0.186 0.000 0.949 266 N CB 1.217 39.683 38.487 -0.036 0.000 1.110 266 N HN 0.067 nan 8.380 nan 0.000 0.490 267 P HA -0.144 nan 4.420 nan 0.000 0.223 267 P C 1.309 178.344 177.300 -0.441 0.000 1.151 267 P CA 0.941 63.849 63.100 -0.319 0.000 0.787 267 P CB 0.232 31.707 31.700 -0.375 0.000 0.788 268 M N -1.324 118.167 119.600 -0.182 0.000 2.260 268 M HA -0.168 4.312 4.480 0.000 0.000 0.261 268 M C 1.898 178.234 176.300 0.060 0.000 1.066 268 M CA 1.459 56.759 55.300 0.001 0.000 1.082 268 M CB -0.403 32.257 32.600 0.101 0.000 1.388 268 M HN 0.010 nan 8.290 nan 0.000 0.419 269 L N -0.715 120.374 121.223 -0.224 0.000 2.187 269 L HA 0.011 4.351 4.340 0.000 0.000 0.197 269 L C 2.529 179.208 176.870 -0.318 0.000 1.090 269 L CA 1.989 56.501 54.840 -0.548 0.000 0.781 269 L CB -1.112 40.403 42.059 -0.908 0.000 0.956 269 L HN 0.287 nan 8.230 nan 0.000 0.463 270 S N -1.039 114.483 115.700 -0.297 0.000 2.372 270 S HA -0.310 4.161 4.470 0.000 0.000 0.227 270 S C 1.956 176.417 174.600 -0.231 0.000 1.044 270 S CA 1.650 59.703 58.200 -0.245 0.000 1.050 270 S CB -1.222 61.837 63.200 -0.236 0.000 0.901 270 S HN 0.647 nan 8.310 nan 0.000 0.447 271 D N 1.330 121.551 120.400 -0.299 0.000 2.104 271 D HA -0.118 4.522 4.640 0.000 0.000 0.194 271 D C 1.982 178.231 176.300 -0.084 0.000 0.994 271 D CA 1.504 55.331 54.000 -0.287 0.000 0.830 271 D CB -0.127 40.364 40.800 -0.514 0.000 0.959 271 D HN 0.352 nan 8.370 nan 0.000 0.452 272 I N 1.400 121.999 120.570 0.048 0.000 2.286 272 I HA -0.219 3.951 4.170 0.000 0.000 0.248 272 I C 2.595 178.737 176.117 0.042 0.000 1.115 272 I CA 0.593 61.980 61.300 0.144 0.000 1.392 272 I CB -0.954 37.222 38.000 0.293 0.000 1.065 272 I HN 0.148 nan 8.210 nan 0.000 0.418 273 I N 0.153 120.705 120.570 -0.031 0.000 2.226 273 I HA -0.328 3.842 4.170 0.000 0.000 0.245 273 I C 2.692 178.771 176.117 -0.063 0.000 1.100 273 I CA 1.075 62.343 61.300 -0.052 0.000 1.374 273 I CB -0.336 37.605 38.000 -0.099 0.000 1.057 273 I HN 0.243 nan 8.210 nan 0.000 0.413 274 C N 0.531 119.769 119.300 -0.104 0.000 2.413 274 C HA -0.180 4.280 4.460 0.000 0.000 0.277 274 C C 2.432 177.381 174.990 -0.067 0.000 1.265 274 C CA 0.708 59.654 59.018 -0.120 0.000 1.752 274 C CB -1.022 26.577 27.740 -0.236 0.000 1.998 274 C HN 0.531 nan 8.230 nan 0.000 0.489 275 D N 0.652 121.031 120.400 -0.035 0.000 2.075 275 D HA -0.093 4.547 4.640 0.000 0.000 0.196 275 D C 2.201 178.507 176.300 0.010 0.000 0.985 275 D CA 1.323 55.330 54.000 0.011 0.000 0.834 275 D CB -0.516 40.316 40.800 0.054 0.000 0.987 275 D HN 0.268 nan 8.370 nan 0.000 0.452 276 V N 2.005 121.928 119.914 0.016 0.000 2.453 276 V HA -0.273 3.847 4.120 0.000 0.000 0.252 276 V C 2.551 178.643 176.094 -0.003 0.000 1.068 276 V CA 1.758 64.066 62.300 0.013 0.000 1.070 276 V CB -0.908 30.928 31.823 0.022 0.000 0.664 276 V HN 0.167 nan 8.190 nan 0.000 0.461 277 A N 0.328 123.138 122.820 -0.017 0.000 1.865 277 A HA -0.168 4.152 4.320 0.000 0.000 0.217 277 A C 2.499 180.068 177.584 -0.024 0.000 1.191 277 A CA 2.361 54.381 52.037 -0.028 0.000 0.623 277 A CB -0.999 17.976 19.000 -0.042 0.000 0.826 277 A HN 0.600 nan 8.150 nan 0.000 0.444 278 A N 0.284 123.093 122.820 -0.017 0.000 1.908 278 A HA -0.245 4.075 4.320 0.000 0.000 0.218 278 A C 1.682 179.261 177.584 -0.008 0.000 1.181 278 A CA 2.131 54.162 52.037 -0.011 0.000 0.627 278 A CB -0.868 18.132 19.000 0.000 0.000 0.818 278 A HN 0.506 nan 8.150 nan 0.000 0.445 279 D N -0.242 120.157 120.400 -0.002 0.000 2.172 279 D HA -0.136 4.504 4.640 0.000 0.000 0.196 279 D C 0.938 177.234 176.300 -0.007 0.000 0.999 279 D CA 1.031 55.031 54.000 -0.000 0.000 0.856 279 D CB -0.342 40.461 40.800 0.005 0.000 0.934 279 D HN 0.344 nan 8.370 nan 0.000 0.453 280 L N 0.752 121.967 121.223 -0.013 0.000 2.737 280 L HA 0.149 4.489 4.340 0.000 0.000 0.236 280 L C 1.500 178.352 176.870 -0.031 0.000 1.219 280 L CA 0.068 54.896 54.840 -0.020 0.000 1.021 280 L CB -0.302 41.743 42.059 -0.022 0.000 1.291 280 L HN -0.047 nan 8.230 nan 0.000 0.470 281 R N -0.924 119.561 120.500 -0.026 0.000 2.377 281 R HA -0.118 4.222 4.340 0.000 0.000 0.207 281 R C 0.932 177.213 176.300 -0.032 0.000 1.075 281 R CA 1.536 57.617 56.100 -0.031 0.000 1.035 281 R CB -0.749 29.539 30.300 -0.020 0.000 0.857 281 R HN 0.458 nan 8.270 nan 0.000 0.475 282 D N 0.058 120.442 120.400 -0.026 0.000 2.840 282 D HA -0.053 4.587 4.640 0.000 0.000 0.277 282 D C 1.384 177.669 176.300 -0.025 0.000 1.066 282 D CA 0.233 54.220 54.000 -0.022 0.000 0.979 282 D CB -0.794 39.999 40.800 -0.012 0.000 1.157 282 D HN 0.264 nan 8.370 nan 0.000 0.466 283 E N 0.971 121.159 120.200 -0.021 0.000 2.108 283 E HA -0.250 4.100 4.350 0.000 0.000 0.203 283 E C 2.106 178.687 176.600 -0.032 0.000 1.022 283 E CA 1.728 58.117 56.400 -0.018 0.000 0.823 283 E CB -0.216 29.476 29.700 -0.013 0.000 0.744 283 E HN 0.391 nan 8.360 nan 0.000 0.456 284 A N 1.204 123.987 122.820 -0.063 0.000 1.858 284 A HA -0.208 4.112 4.320 0.000 0.000 0.216 284 A C 2.204 179.712 177.584 -0.127 0.000 1.190 284 A CA 1.450 53.413 52.037 -0.124 0.000 0.617 284 A CB -0.753 18.148 19.000 -0.165 0.000 0.827 284 A HN 0.182 nan 8.150 nan 0.000 0.443 285 I N -0.093 120.423 120.570 -0.091 0.000 2.185 285 I HA -0.374 3.797 4.170 0.000 0.000 0.246 285 I C 2.979 179.083 176.117 -0.021 0.000 1.088 285 I CA 1.222 62.486 61.300 -0.059 0.000 1.347 285 I CB -0.503 37.476 38.000 -0.035 0.000 1.041 285 I HN 0.404 nan 8.210 nan 0.000 0.415 286 A N 0.971 123.784 122.820 -0.013 0.000 1.865 286 A HA -0.210 4.110 4.320 0.000 0.000 0.217 286 A C 2.473 180.078 177.584 0.035 0.000 1.191 286 A CA 2.006 54.049 52.037 0.011 0.000 0.623 286 A CB -1.026 17.979 19.000 0.009 0.000 0.826 286 A HN 0.452 nan 8.150 nan 0.000 0.444 287 A N -1.884 120.958 122.820 0.036 0.000 2.272 287 A HA 0.313 4.633 4.320 0.000 0.000 0.213 287 A C 1.806 179.507 177.584 0.196 0.000 1.183 287 A CA 1.590 53.688 52.037 0.101 0.000 0.719 287 A CB -1.190 17.872 19.000 0.103 0.000 0.771 287 A HN 2.145 nan 8.150 nan 0.000 0.484 288 G N -3.092 105.792 108.800 0.140 0.000 2.138 288 G HA2 0.170 4.130 3.960 0.000 0.000 0.193 288 G HA3 0.170 4.130 3.960 0.000 0.000 0.193 288 G C 0.203 175.262 174.900 0.265 0.000 0.998 288 G CA 0.030 45.268 45.100 0.230 0.000 0.668 288 G HN 1.624 nan 8.290 nan 0.000 0.516 289 A N 0.344 123.118 122.820 -0.076 0.000 2.621 289 A HA 0.871 5.191 4.320 0.000 0.000 0.329 289 A C 1.584 179.092 177.584 -0.128 0.000 1.458 289 A CA 0.899 52.720 52.037 -0.360 0.000 1.052 289 A CB 0.187 18.771 19.000 -0.694 0.000 1.142 289 A HN 1.769 nan 8.150 nan 0.000 0.523 290 A N 2.249 125.060 122.820 -0.014 0.000 1.859 290 A HA -0.206 4.114 4.320 0.000 0.000 0.218 290 A C 1.499 179.068 177.584 -0.025 0.000 1.209 290 A CA 1.943 53.982 52.037 0.002 0.000 0.639 290 A CB -0.477 18.546 19.000 0.038 0.000 0.835 290 A HN 0.757 nan 8.150 nan 0.000 0.450 291 E N -0.533 119.650 120.200 -0.029 0.000 2.463 291 E HA 0.349 4.699 4.350 0.000 0.000 0.191 291 E C 1.140 177.703 176.600 -0.061 0.000 1.083 291 E CA 0.118 56.499 56.400 -0.031 0.000 0.872 291 E CB -0.317 29.376 29.700 -0.011 0.000 0.966 291 E HN 0.779 nan 8.360 nan 0.000 0.491 292 G N 2.026 110.764 108.800 -0.103 0.000 2.509 292 G HA2 -0.321 3.639 3.960 0.000 0.000 0.259 292 G HA3 -0.321 3.639 3.960 0.000 0.000 0.259 292 G C -0.127 174.678 174.900 -0.157 0.000 1.169 292 G CA -0.310 44.715 45.100 -0.124 0.000 0.953 292 G HN 0.215 nan 8.290 nan 0.000 0.563 293 I N 1.744 122.249 120.570 -0.109 0.000 2.321 293 I HA 0.370 4.540 4.170 0.000 0.000 0.291 293 I C -0.148 175.930 176.117 -0.065 0.000 0.998 293 I CA -0.473 60.768 61.300 -0.098 0.000 1.227 293 I CB 1.645 39.599 38.000 -0.078 0.000 1.368 293 I HN 0.463 nan 8.210 nan 0.000 0.466 294 N N 8.459 127.126 118.700 -0.056 0.000 2.706 294 N HA 0.336 5.076 4.740 0.000 0.000 0.240 294 N C -0.629 174.863 175.510 -0.031 0.000 1.039 294 N CA -0.592 52.438 53.050 -0.033 0.000 0.888 294 N CB 0.561 39.039 38.487 -0.016 0.000 1.128 294 N HN 0.528 nan 8.380 nan 0.000 0.512 295 I N 1.661 122.207 120.570 -0.040 0.000 2.371 295 I HA 0.435 4.605 4.170 0.000 0.000 0.290 295 I C -0.003 176.086 176.117 -0.047 0.000 1.028 295 I CA -0.799 60.471 61.300 -0.050 0.000 1.345 295 I CB 0.506 38.467 38.000 -0.066 0.000 1.407 295 I HN 0.321 nan 8.210 nan 0.000 0.501 296 I N 3.157 123.698 120.570 -0.049 0.000 2.603 296 I HA 0.894 5.065 4.170 0.000 0.000 0.300 296 I C 0.273 176.347 176.117 -0.071 0.000 1.017 296 I CA -0.712 60.559 61.300 -0.047 0.000 1.098 296 I CB 1.792 39.773 38.000 -0.032 0.000 1.279 296 I HN 0.683 nan 8.210 nan 0.000 0.437 297 G N 5.100 113.852 108.800 -0.081 0.000 2.488 297 G HA2 0.768 4.728 3.960 0.000 0.000 0.318 297 G HA3 0.768 4.728 3.960 0.000 0.000 0.318 297 G C -0.860 173.957 174.900 -0.137 0.000 1.188 297 G CA -0.818 44.210 45.100 -0.120 0.000 0.944 297 G HN 0.659 nan 8.290 nan 0.000 0.495 298 I N -0.213 120.252 120.570 -0.176 0.000 2.610 298 I HA 0.264 4.434 4.170 0.000 0.000 0.289 298 I C 0.110 176.087 176.117 -0.234 0.000 1.163 298 I CA -0.370 60.828 61.300 -0.171 0.000 1.044 298 I CB 1.449 39.384 38.000 -0.108 0.000 1.251 298 I HN 0.780 nan 8.210 nan 0.000 0.424 299 C N 2.660 121.787 119.300 -0.289 0.000 0.168 299 C HA -0.283 4.177 4.460 0.000 0.000 0.017 299 C C 2.335 177.035 174.990 -0.484 0.000 0.171 299 C CA -0.013 58.848 59.018 -0.262 0.000 0.499 299 C CB -1.622 26.061 27.740 -0.096 0.000 3.212 299 C HN 1.035 nan 8.230 nan 0.000 1.118 300 C N -0.114 119.049 119.300 -0.228 0.000 2.388 300 C HA -0.163 4.297 4.460 0.000 0.000 0.277 300 C C 2.760 177.646 174.990 -0.173 0.000 1.210 300 C CA 2.333 61.276 59.018 -0.124 0.000 1.743 300 C CB -1.692 25.723 27.740 -0.542 0.000 2.047 300 C HN 1.033 nan 8.230 nan 0.000 0.458 301 T N -0.074 114.317 114.554 -0.273 0.000 2.778 301 T HA -0.094 4.256 4.350 0.000 0.000 0.269 301 T C 1.724 176.316 174.700 -0.180 0.000 1.050 301 T CA 2.065 64.049 62.100 -0.192 0.000 1.137 301 T CB -0.496 68.260 68.868 -0.188 0.000 0.860 301 T HN 0.673 nan 8.240 nan 0.000 0.468 302 G N -0.713 107.940 108.800 -0.245 0.000 2.402 302 G HA2 -0.146 3.814 3.960 0.000 0.000 0.216 302 G HA3 -0.146 3.814 3.960 0.000 0.000 0.216 302 G C 1.221 176.009 174.900 -0.187 0.000 1.162 302 G CA 0.817 45.771 45.100 -0.244 0.000 0.777 302 G HN 0.647 nan 8.290 nan 0.000 0.539 303 H N 0.191 119.251 119.070 -0.017 0.000 2.423 303 H HA 0.038 4.595 4.556 0.000 0.000 0.297 303 H C 2.556 177.862 175.328 -0.036 0.000 1.075 303 H CA 1.040 57.103 56.048 0.025 0.000 1.342 303 H CB 0.310 30.148 29.762 0.127 0.000 1.395 303 H HN 0.229 nan 8.280 nan 0.000 0.530 304 E N 0.617 120.848 120.200 0.051 0.000 2.038 304 E HA -0.143 4.207 4.350 0.000 0.000 0.195 304 E C 2.509 179.108 176.600 -0.002 0.000 1.000 304 E CA 1.654 58.060 56.400 0.009 0.000 0.803 304 E CB -0.371 29.300 29.700 -0.049 0.000 0.750 304 E HN 0.503 nan 8.360 nan 0.000 0.448 305 V N -0.960 118.929 119.914 -0.042 0.000 2.871 305 V HA -0.042 4.078 4.120 0.000 0.000 0.256 305 V C 2.314 178.436 176.094 0.047 0.000 1.082 305 V CA 1.379 63.668 62.300 -0.017 0.000 1.105 305 V CB -0.535 31.207 31.823 -0.134 0.000 0.713 305 V HN 0.100 nan 8.190 nan 0.000 0.473 306 M N -0.713 118.894 119.600 0.013 0.000 2.288 306 M HA -0.031 4.449 4.480 0.000 0.000 0.266 306 M C 2.167 178.462 176.300 -0.008 0.000 1.072 306 M CA 1.621 56.933 55.300 0.020 0.000 1.132 306 M CB 0.010 32.632 32.600 0.037 0.000 1.386 306 M HN 0.284 nan 8.290 nan 0.000 0.432 307 M N 0.158 119.730 119.600 -0.047 0.000 2.077 307 M HA -0.128 4.352 4.480 0.000 0.000 0.261 307 M C 2.157 178.434 176.300 -0.039 0.000 1.070 307 M CA 1.745 56.990 55.300 -0.091 0.000 1.125 307 M CB -1.111 31.430 32.600 -0.097 0.000 1.339 307 M HN 0.311 nan 8.290 nan 0.000 0.409 308 R N -1.066 119.447 120.500 0.021 0.000 2.055 308 R HA -0.045 4.295 4.340 0.000 0.000 0.228 308 R C 0.471 176.655 176.300 -0.193 0.000 1.143 308 R CA 0.945 57.007 56.100 -0.063 0.000 0.945 308 R CB -0.311 30.004 30.300 0.024 0.000 0.841 308 R HN 0.419 nan 8.270 nan 0.000 0.429 309 H N -2.242 116.817 119.070 -0.019 0.000 2.649 309 H HA 0.282 4.838 4.556 0.000 0.000 0.337 309 H C 1.200 176.520 175.328 -0.015 0.000 1.282 309 H CA -0.317 55.724 56.048 -0.012 0.000 1.333 309 H CB 0.522 30.279 29.762 -0.008 0.000 1.787 309 H HN 0.143 nan 8.280 nan 0.000 0.632 310 G N -0.144 108.732 108.800 0.126 0.000 2.509 310 G HA2 -0.112 3.848 3.960 0.000 0.000 0.218 310 G HA3 -0.112 3.848 3.960 0.000 0.000 0.218 310 G C -0.084 174.851 174.900 0.057 0.000 1.124 310 G CA 0.290 45.431 45.100 0.069 0.000 0.776 310 G HN 0.445 nan 8.290 nan 0.000 0.547 311 V N 3.413 123.360 119.914 0.055 0.000 2.996 311 V HA -0.053 4.067 4.120 0.000 0.000 0.289 311 V C -1.397 174.706 176.094 0.016 0.000 1.171 311 V CA -0.430 61.877 62.300 0.013 0.000 1.298 311 V CB -0.286 31.521 31.823 -0.026 0.000 0.803 311 V HN 0.279 nan 8.190 nan 0.000 0.448 312 P HA 0.187 nan 4.420 nan 0.000 0.276 312 P C -0.553 176.753 177.300 0.010 0.000 1.230 312 P CA -0.588 62.527 63.100 0.025 0.000 0.776 312 P CB 1.325 33.041 31.700 0.027 0.000 0.888 313 L N 3.518 124.758 121.223 0.028 0.000 2.281 313 L HA 0.387 4.727 4.340 0.000 0.000 0.285 313 L C 1.363 178.235 176.870 0.003 0.000 1.074 313 L CA 0.014 54.855 54.840 0.002 0.000 0.817 313 L CB 0.411 42.498 42.059 0.048 0.000 1.168 313 L HN 0.514 nan 8.230 nan 0.000 0.434 314 A N 3.432 126.236 122.820 -0.027 0.000 1.872 314 A HA 0.192 4.512 4.320 0.000 0.000 0.214 314 A C 1.059 178.636 177.584 -0.012 0.000 1.187 314 A CA 1.484 53.511 52.037 -0.017 0.000 0.614 314 A CB -0.236 18.742 19.000 -0.036 0.000 0.826 314 A HN 0.775 nan 8.150 nan 0.000 0.442 315 T N -3.515 111.023 114.554 -0.026 0.000 2.652 315 T HA 0.377 4.727 4.350 0.000 0.000 0.303 315 T C -1.082 173.611 174.700 -0.011 0.000 1.738 315 T CA -0.092 62.004 62.100 -0.007 0.000 0.969 315 T CB -0.113 68.751 68.868 -0.008 0.000 1.778 315 T HN 0.495 nan 8.240 nan 0.000 0.494 316 N N 0.270 118.989 118.700 0.030 0.000 2.718 316 N HA 0.306 5.046 4.740 0.000 0.000 0.298 316 N C 0.907 176.464 175.510 0.078 0.000 1.369 316 N CA -0.257 52.835 53.050 0.071 0.000 0.839 316 N CB -0.771 37.788 38.487 0.120 0.000 1.108 316 N HN 0.577 nan 8.380 nan 0.000 0.489 317 Y N 0.049 120.344 120.300 -0.009 0.000 2.090 317 Y HA 0.109 4.659 4.550 0.000 0.000 0.274 317 Y C 2.068 177.907 175.900 -0.102 0.000 1.110 317 Y CA 1.457 59.531 58.100 -0.045 0.000 1.092 317 Y CB -0.776 37.661 38.460 -0.037 0.000 0.992 317 Y HN 0.311 nan 8.280 nan 0.000 0.479 318 L N 0.015 121.020 121.223 -0.362 0.000 2.129 318 L HA -0.234 4.106 4.340 0.000 0.000 0.212 318 L C 1.952 178.530 176.870 -0.486 0.000 1.087 318 L CA 1.876 56.332 54.840 -0.640 0.000 0.757 318 L CB -0.748 40.997 42.059 -0.523 0.000 0.896 318 L HN 0.370 nan 8.230 nan 0.000 0.434 319 S N -1.168 114.454 115.700 -0.131 0.000 2.634 319 S HA -0.035 4.435 4.470 0.000 0.000 0.221 319 S C 1.488 176.053 174.600 -0.057 0.000 0.952 319 S CA -0.217 58.009 58.200 0.043 0.000 0.930 319 S CB -0.062 63.217 63.200 0.132 0.000 0.780 319 S HN 0.555 nan 8.310 nan 0.000 0.498 320 Q N 1.647 121.352 119.800 -0.158 0.000 2.439 320 Q HA -0.105 4.235 4.340 0.000 0.000 0.211 320 Q C 1.200 177.124 176.000 -0.126 0.000 0.978 320 Q CA 1.387 57.109 55.803 -0.135 0.000 0.897 320 Q CB -0.605 28.040 28.738 -0.154 0.000 0.956 320 Q HN 0.713 nan 8.270 nan 0.000 0.483 321 E N 0.680 120.803 120.200 -0.128 0.000 2.216 321 E HA -0.017 4.333 4.350 0.000 0.000 0.192 321 E C 1.800 178.344 176.600 -0.094 0.000 0.973 321 E CA 0.024 56.356 56.400 -0.114 0.000 0.851 321 E CB 0.095 29.728 29.700 -0.112 0.000 0.804 321 E HN 0.186 nan 8.360 nan 0.000 0.477 322 L N 1.203 122.399 121.223 -0.045 0.000 2.129 322 L HA -0.127 4.213 4.340 0.000 0.000 0.212 322 L C -0.534 176.289 176.870 -0.079 0.000 1.087 322 L CA 1.747 56.563 54.840 -0.039 0.000 0.757 322 L CB -2.183 39.874 42.059 -0.003 0.000 0.896 322 L HN 0.080 nan 8.230 nan 0.000 0.434 323 P HA -0.126 nan 4.420 nan 0.000 0.218 323 P C 2.114 179.319 177.300 -0.159 0.000 1.148 323 P CA 1.137 64.180 63.100 -0.095 0.000 0.822 323 P CB 0.112 31.761 31.700 -0.085 0.000 0.784 324 I N -1.313 119.114 120.570 -0.238 0.000 2.252 324 I HA -0.209 3.962 4.170 0.000 0.000 0.245 324 I C 2.139 177.829 176.117 -0.711 0.000 1.102 324 I CA 1.237 62.268 61.300 -0.449 0.000 1.385 324 I CB -0.801 36.918 38.000 -0.468 0.000 1.064 324 I HN -0.102 nan 8.210 nan 0.000 0.414 325 L N 0.108 121.076 121.223 -0.426 0.000 2.127 325 L HA -0.207 4.133 4.340 0.000 0.000 0.211 325 L C 2.554 179.418 176.870 -0.011 0.000 1.089 325 L CA 1.301 56.030 54.840 -0.186 0.000 0.757 325 L CB -1.342 40.720 42.059 0.004 0.000 0.899 325 L HN 0.259 nan 8.230 nan 0.000 0.434 326 T N -0.054 114.466 114.554 -0.057 0.000 2.822 326 T HA -0.162 4.188 4.350 0.000 0.000 0.270 326 T C 1.498 176.269 174.700 0.119 0.000 1.064 326 T CA 1.499 63.620 62.100 0.034 0.000 1.131 326 T CB -0.434 68.439 68.868 0.009 0.000 0.858 326 T HN 0.739 nan 8.240 nan 0.000 0.483 327 G N 0.213 109.081 108.800 0.114 0.000 2.155 327 G HA2 -0.171 3.789 3.960 0.000 0.000 0.257 327 G HA3 -0.171 3.789 3.960 0.000 0.000 0.257 327 G C 0.516 175.601 174.900 0.309 0.000 0.983 327 G CA 0.266 45.593 45.100 0.379 0.000 0.676 327 G HN 0.909 nan 8.290 nan 0.000 0.528 328 A N -0.976 121.963 122.820 0.198 0.000 2.589 328 A HA 0.712 5.032 4.320 0.000 0.000 0.283 328 A C 0.302 178.001 177.584 0.190 0.000 1.187 328 A CA 0.295 52.453 52.037 0.201 0.000 0.957 328 A CB 0.409 19.489 19.000 0.134 0.000 1.175 328 A HN 1.119 nan 8.150 nan 0.000 0.532 329 L N 0.545 121.835 121.223 0.112 0.000 2.272 329 L HA 0.527 4.867 4.340 0.000 0.000 0.284 329 L C 0.786 177.600 176.870 -0.094 0.000 1.045 329 L CA -0.101 54.735 54.840 -0.007 0.000 0.842 329 L CB 0.776 42.768 42.059 -0.112 0.000 1.224 329 L HN 0.238 nan 8.230 nan 0.000 0.430 330 E N 3.290 123.526 120.200 0.060 0.000 2.058 330 E HA 0.115 4.465 4.350 0.000 0.000 0.194 330 E C 0.227 176.779 176.600 -0.080 0.000 0.997 330 E CA 1.491 57.922 56.400 0.052 0.000 0.801 330 E CB -0.010 29.803 29.700 0.190 0.000 0.746 330 E HN 0.694 nan 8.360 nan 0.000 0.450 331 A N -0.698 122.087 122.820 -0.058 0.000 2.612 331 A HA 0.665 4.985 4.320 0.000 0.000 0.293 331 A C -1.426 176.114 177.584 -0.072 0.000 1.075 331 A CA -0.655 51.340 52.037 -0.070 0.000 0.680 331 A CB 1.293 20.271 19.000 -0.036 0.000 1.279 331 A HN 0.088 nan 8.150 nan 0.000 0.411 332 M N 2.326 121.881 119.600 -0.075 0.000 2.093 332 M HA 0.530 5.010 4.480 0.000 0.000 0.297 332 M C -1.812 174.447 176.300 -0.068 0.000 0.938 332 M CA -0.561 54.694 55.300 -0.075 0.000 0.920 332 M CB 1.254 33.804 32.600 -0.082 0.000 1.517 332 M HN 0.448 nan 8.290 nan 0.000 0.427 333 V N 6.049 125.917 119.914 -0.077 0.000 2.385 333 V HA 0.445 4.565 4.120 0.000 0.000 0.269 333 V C -0.103 175.937 176.094 -0.090 0.000 1.043 333 V CA -0.706 61.542 62.300 -0.086 0.000 0.906 333 V CB 0.778 32.536 31.823 -0.109 0.000 0.995 333 V HN 0.666 nan 8.190 nan 0.000 0.467 334 V N 2.046 121.920 119.914 -0.067 0.000 2.628 334 V HA 0.710 4.830 4.120 0.000 0.000 0.306 334 V C 0.188 176.257 176.094 -0.042 0.000 1.045 334 V CA -0.452 61.818 62.300 -0.049 0.000 0.905 334 V CB 1.942 33.754 31.823 -0.017 0.000 0.997 334 V HN 0.768 nan 8.190 nan 0.000 0.436 335 D N 3.650 124.027 120.400 -0.038 0.000 2.999 335 D HA 0.208 4.848 4.640 0.000 0.000 0.273 335 D C 0.189 176.509 176.300 0.034 0.000 1.485 335 D CA 0.377 54.364 54.000 -0.023 0.000 1.101 335 D CB 0.928 41.685 40.800 -0.071 0.000 1.109 335 D HN 0.496 nan 8.370 nan 0.000 0.368 336 V N 1.674 121.612 119.914 0.041 0.000 2.841 336 V HA 0.278 4.399 4.120 0.000 0.000 0.310 336 V C -1.044 175.073 176.094 0.039 0.000 1.090 336 V CA -0.919 61.410 62.300 0.049 0.000 0.930 336 V CB 1.638 33.493 31.823 0.053 0.000 1.014 336 V HN 0.618 nan 8.190 nan 0.000 0.425 337 Q N 2.916 122.714 119.800 -0.003 0.000 3.241 337 Q HA -0.267 4.073 4.340 0.000 0.000 0.026 337 Q C 0.195 176.225 176.000 0.051 0.000 1.714 337 Q CA 0.401 56.172 55.803 -0.053 0.000 0.238 337 Q CB -1.580 27.014 28.738 -0.240 0.000 0.587 337 Q HN 1.427 nan 8.270 nan 0.000 0.322 338 C N 1.057 120.386 119.300 0.048 0.000 4.497 338 C HA -0.168 4.292 4.460 0.000 0.000 0.292 338 C C 0.373 175.500 174.990 0.228 0.000 1.366 338 C CA 0.771 59.878 59.018 0.148 0.000 1.987 338 C CB -2.399 25.465 27.740 0.207 0.000 1.241 338 C HN 0.566 nan 8.230 nan 0.000 0.788 339 I N 0.555 121.208 120.570 0.139 0.000 2.382 339 I HA 0.306 4.476 4.170 0.000 0.000 0.285 339 I C 0.539 176.693 176.117 0.062 0.000 1.007 339 I CA -0.265 61.086 61.300 0.085 0.000 1.142 339 I CB 0.869 38.900 38.000 0.051 0.000 1.289 339 I HN 0.213 nan 8.210 nan 0.000 0.453 340 M N 7.624 127.237 119.600 0.022 0.000 2.252 340 M HA 0.093 4.573 4.480 0.000 0.000 0.348 340 M C -1.497 174.794 176.300 -0.015 0.000 1.334 340 M CA -0.959 54.331 55.300 -0.016 0.000 1.071 340 M CB 0.252 32.781 32.600 -0.118 0.000 1.763 340 M HN 0.258 nan 8.290 nan 0.000 0.452 341 P HA -0.066 nan 4.420 nan 0.000 0.237 341 P C 0.955 178.250 177.300 -0.010 0.000 1.178 341 P CA 0.789 63.888 63.100 -0.001 0.000 0.766 341 P CB 0.050 31.753 31.700 0.006 0.000 0.876 342 S N -1.132 114.552 115.700 -0.026 0.000 2.461 342 S HA -0.055 4.415 4.470 0.000 0.000 0.228 342 S C 1.855 176.438 174.600 -0.029 0.000 1.005 342 S CA 0.424 58.607 58.200 -0.028 0.000 0.942 342 S CB -1.229 61.944 63.200 -0.046 0.000 0.776 342 S HN -0.074 nan 8.310 nan 0.000 0.514 343 L N 2.369 123.567 121.223 -0.041 0.000 2.010 343 L HA -0.080 4.260 4.340 0.000 0.000 0.219 343 L C -0.312 176.541 176.870 -0.028 0.000 1.077 343 L CA 2.265 57.077 54.840 -0.047 0.000 0.773 343 L CB -2.815 39.214 42.059 -0.050 0.000 0.892 343 L HN 0.255 nan 8.230 nan 0.000 0.436 344 P HA -0.183 nan 4.420 nan 0.000 0.214 344 P C 1.756 179.066 177.300 0.015 0.000 1.169 344 P CA 1.586 64.688 63.100 0.003 0.000 0.908 344 P CB -0.133 31.573 31.700 0.011 0.000 0.791 345 R N -0.828 119.682 120.500 0.018 0.000 2.103 345 R HA -0.157 4.183 4.340 0.000 0.000 0.234 345 R C 2.244 178.575 176.300 0.052 0.000 1.132 345 R CA 1.658 57.778 56.100 0.033 0.000 0.925 345 R CB -1.733 28.583 30.300 0.027 0.000 0.842 345 R HN 0.138 nan 8.270 nan 0.000 0.430 346 I N 1.437 122.029 120.570 0.036 0.000 2.181 346 I HA -0.332 3.838 4.170 0.000 0.000 0.247 346 I C 2.595 178.768 176.117 0.093 0.000 1.081 346 I CA 1.941 63.274 61.300 0.055 0.000 1.340 346 I CB -0.665 37.327 38.000 -0.014 0.000 1.036 346 I HN 0.288 nan 8.210 nan 0.000 0.417 347 A N -0.131 122.707 122.820 0.030 0.000 1.969 347 A HA -0.131 4.189 4.320 0.000 0.000 0.218 347 A C 2.364 180.032 177.584 0.140 0.000 1.169 347 A CA 1.712 53.768 52.037 0.032 0.000 0.635 347 A CB -1.108 17.870 19.000 -0.037 0.000 0.810 347 A HN 0.462 nan 8.150 nan 0.000 0.445 348 E N -0.980 119.286 120.200 0.110 0.000 2.331 348 E HA -0.218 4.132 4.350 0.000 0.000 0.199 348 E C 1.681 178.362 176.600 0.136 0.000 1.008 348 E CA 1.550 58.012 56.400 0.102 0.000 0.843 348 E CB -1.584 28.156 29.700 0.067 0.000 0.761 348 E HN 0.743 nan 8.360 nan 0.000 0.507 349 C N -0.744 118.691 119.300 0.224 0.000 2.500 349 C HA 0.396 4.856 4.460 0.000 0.000 0.273 349 C C 0.843 175.865 174.990 0.053 0.000 1.428 349 C CA -0.375 58.734 59.018 0.151 0.000 1.766 349 C CB -1.320 26.534 27.740 0.189 0.000 1.817 349 C HN 0.574 nan 8.230 nan 0.000 0.543 350 F N -0.452 119.529 119.950 0.052 0.000 3.145 350 F HA 0.319 4.846 4.527 0.000 0.000 0.324 350 F C 1.743 177.628 175.800 0.142 0.000 1.467 350 F CA -0.515 57.557 58.000 0.121 0.000 1.048 350 F CB -0.402 38.690 39.000 0.153 0.000 1.698 350 F HN -0.000 nan 8.300 nan 0.000 0.427 351 H N -1.885 117.337 119.070 0.253 0.000 2.750 351 H HA 0.248 4.804 4.556 0.000 0.000 0.263 351 H C -0.013 175.373 175.328 0.097 0.000 0.964 351 H CA 0.489 56.610 56.048 0.123 0.000 1.205 351 H CB -1.449 28.364 29.762 0.085 0.000 1.454 351 H HN 0.254 nan 8.280 nan 0.000 0.503 352 T N 3.611 117.866 114.554 -0.498 0.000 2.903 352 T HA -0.028 4.322 4.350 0.000 0.000 0.299 352 T C 0.308 174.914 174.700 -0.158 0.000 1.041 352 T CA 0.384 62.236 62.100 -0.413 0.000 1.138 352 T CB 0.744 69.406 68.868 -0.343 0.000 1.040 352 T HN 0.312 nan 8.240 nan 0.000 0.524 353 Q N 1.935 121.662 119.800 -0.121 0.000 2.293 353 Q HA 0.391 4.731 4.340 0.000 0.000 0.261 353 Q C -0.473 175.495 176.000 -0.053 0.000 0.960 353 Q CA -0.668 55.103 55.803 -0.053 0.000 0.882 353 Q CB 1.826 30.548 28.738 -0.027 0.000 1.275 353 Q HN 0.480 nan 8.270 nan 0.000 0.445 354 I N 4.619 125.170 120.570 -0.031 0.000 2.310 354 I HA 0.323 4.493 4.170 0.000 0.000 0.287 354 I C 0.119 176.232 176.117 -0.007 0.000 1.073 354 I CA -0.433 60.851 61.300 -0.027 0.000 1.216 354 I CB 0.232 38.220 38.000 -0.019 0.000 1.415 354 I HN 0.468 nan 8.210 nan 0.000 0.480 355 I N 6.290 126.848 120.570 -0.019 0.000 2.307 355 I HA 0.166 4.336 4.170 0.000 0.000 0.289 355 I C 0.859 176.964 176.117 -0.020 0.000 1.021 355 I CA -0.367 60.923 61.300 -0.017 0.000 1.224 355 I CB 1.204 39.182 38.000 -0.036 0.000 1.376 355 I HN 0.504 nan 8.210 nan 0.000 0.470 356 T N 0.752 115.320 114.554 0.023 0.000 2.899 356 T HA 0.387 4.737 4.350 0.000 0.000 0.284 356 T C 0.826 175.479 174.700 -0.078 0.000 1.004 356 T CA -0.181 61.956 62.100 0.062 0.000 1.043 356 T CB 1.740 70.749 68.868 0.233 0.000 1.013 356 T HN 0.730 nan 8.240 nan 0.000 0.518 357 T N -3.194 111.333 114.554 -0.044 0.000 3.028 357 T HA 0.221 4.571 4.350 0.000 0.000 0.262 357 T C 0.079 174.801 174.700 0.037 0.000 0.916 357 T CA -0.263 61.759 62.100 -0.130 0.000 0.873 357 T CB 0.158 68.975 68.868 -0.085 0.000 1.232 357 T HN 0.683 nan 8.240 nan 0.000 0.529 358 D N 1.235 121.737 120.400 0.171 0.000 2.175 358 D HA 0.319 4.959 4.640 0.000 0.000 0.248 358 D C 0.682 177.137 176.300 0.258 0.000 1.047 358 D CA -0.392 53.717 54.000 0.182 0.000 0.883 358 D CB 1.957 42.837 40.800 0.134 0.000 1.180 358 D HN 0.052 nan 8.370 nan 0.000 0.438 359 K N 1.384 121.881 120.400 0.161 0.000 2.152 359 K HA -0.159 4.161 4.320 0.000 0.000 0.206 359 K C 0.643 177.388 176.600 0.242 0.000 1.048 359 K CA 0.977 57.349 56.287 0.141 0.000 0.933 359 K CB 0.002 32.524 32.500 0.037 0.000 0.721 359 K HN 0.440 nan 8.250 nan 0.000 0.447 360 H N -0.326 118.795 119.070 0.085 0.000 2.605 360 H HA 0.190 4.746 4.556 0.000 0.000 0.308 360 H C -0.260 175.102 175.328 0.056 0.000 1.080 360 H CA -0.128 55.956 56.048 0.060 0.000 1.119 360 H CB -0.211 29.594 29.762 0.072 0.000 1.479 360 H HN 0.089 nan 8.280 nan 0.000 0.537 361 N N 1.136 119.942 118.700 0.177 0.000 2.679 361 N HA 0.026 4.767 4.740 0.000 0.000 0.240 361 N C -1.040 174.535 175.510 0.109 0.000 1.537 361 N CA -0.101 53.023 53.050 0.124 0.000 0.793 361 N CB 0.605 39.167 38.487 0.126 0.000 1.391 361 N HN 0.172 nan 8.380 nan 0.000 0.524 362 K N 1.114 121.546 120.400 0.053 0.000 2.138 362 K HA 0.566 4.886 4.320 0.000 0.000 0.263 362 K C -0.204 176.409 176.600 0.022 0.000 0.965 362 K CA -0.458 55.839 56.287 0.017 0.000 0.868 362 K CB 2.141 34.580 32.500 -0.101 0.000 1.083 362 K HN 0.212 nan 8.250 nan 0.000 0.443 363 I N 1.536 122.127 120.570 0.034 0.000 2.418 363 I HA 0.118 4.288 4.170 0.000 0.000 0.287 363 I C -0.209 175.920 176.117 0.020 0.000 1.008 363 I CA -0.739 60.576 61.300 0.025 0.000 1.104 363 I CB 2.059 40.076 38.000 0.029 0.000 1.264 363 I HN 0.483 nan 8.210 nan 0.000 0.438 364 S N 4.444 120.151 115.700 0.011 0.000 2.546 364 S HA 0.290 4.760 4.470 0.000 0.000 0.290 364 S C 1.073 175.683 174.600 0.017 0.000 1.262 364 S CA 0.872 59.078 58.200 0.011 0.000 1.083 364 S CB 0.498 63.702 63.200 0.007 0.000 0.859 364 S HN 1.139 nan 8.310 nan 0.000 0.495 365 G N 2.186 110.998 108.800 0.021 0.000 2.376 365 G HA2 -0.121 3.839 3.960 0.000 0.000 0.208 365 G HA3 -0.121 3.839 3.960 0.000 0.000 0.208 365 G C 0.257 175.175 174.900 0.029 0.000 1.032 365 G CA -0.159 44.955 45.100 0.024 0.000 0.641 365 G HN 1.146 nan 8.290 nan 0.000 0.503 366 A N 0.746 123.586 122.820 0.034 0.000 2.386 366 A HA 0.643 4.963 4.320 0.000 0.000 0.246 366 A C 0.874 178.494 177.584 0.060 0.000 1.089 366 A CA 1.349 53.411 52.037 0.041 0.000 0.790 366 A CB 0.084 19.113 19.000 0.049 0.000 1.042 366 A HN 1.718 nan 8.150 nan 0.000 0.497 367 T N -0.566 114.023 114.554 0.059 0.000 2.749 367 T HA 0.468 4.819 4.350 0.000 0.000 0.287 367 T C -0.401 174.361 174.700 0.102 0.000 0.970 367 T CA -0.299 61.845 62.100 0.073 0.000 0.980 367 T CB 0.526 69.422 68.868 0.046 0.000 0.924 367 T HN 0.650 nan 8.240 nan 0.000 0.456 368 H N 2.137 121.221 119.070 0.023 0.000 2.580 368 H HA 0.540 5.096 4.556 0.000 0.000 0.322 368 H C -0.811 174.538 175.328 0.036 0.000 1.082 368 H CA -0.383 55.683 56.048 0.030 0.000 1.383 368 H CB 0.727 30.509 29.762 0.033 0.000 1.450 368 H HN 0.526 nan 8.280 nan 0.000 0.505 369 V N 8.464 128.170 119.914 -0.346 0.000 2.380 369 V HA 0.219 4.339 4.120 0.000 0.000 0.268 369 V C -2.266 173.667 176.094 -0.268 0.000 1.008 369 V CA -1.683 60.502 62.300 -0.191 0.000 0.823 369 V CB 0.943 32.719 31.823 -0.079 0.000 1.053 369 V HN 0.841 nan 8.190 nan 0.000 0.446 370 P HA -0.059 nan 4.420 nan 0.000 0.260 370 P C -0.627 176.696 177.300 0.039 0.000 1.172 370 P CA 0.327 63.382 63.100 -0.075 0.000 0.760 370 P CB 0.076 31.806 31.700 0.050 0.000 0.773 371 F N 4.631 124.531 119.950 -0.083 0.000 2.335 371 F HA 0.206 4.733 4.527 0.000 0.000 0.365 371 F C 0.177 175.972 175.800 -0.008 0.000 1.122 371 F CA -0.778 57.196 58.000 -0.042 0.000 1.151 371 F CB 0.151 39.127 39.000 -0.041 0.000 1.282 371 F HN 0.169 nan 8.300 nan 0.000 0.513 372 D N 5.257 125.413 120.400 -0.407 0.000 2.359 372 D HA 0.075 4.715 4.640 0.000 0.000 0.230 372 D C 0.675 176.599 176.300 -0.627 0.000 1.118 372 D CA -0.071 53.714 54.000 -0.359 0.000 0.844 372 D CB 1.188 41.902 40.800 -0.143 0.000 1.059 372 D HN 0.623 nan 8.370 nan 0.000 0.493 373 E N 1.910 121.746 120.200 -0.608 0.000 2.130 373 E HA -0.217 4.133 4.350 0.000 0.000 0.196 373 E C 1.268 177.615 176.600 -0.422 0.000 0.998 373 E CA 1.421 57.521 56.400 -0.500 0.000 0.806 373 E CB -0.278 29.377 29.700 -0.077 0.000 0.738 373 E HN 0.641 nan 8.360 nan 0.000 0.459 374 H N -0.071 118.853 119.070 -0.243 0.000 2.543 374 H HA 0.042 4.598 4.556 0.000 0.000 0.286 374 H C 0.367 175.563 175.328 -0.218 0.000 1.037 374 H CA 1.008 56.916 56.048 -0.234 0.000 1.250 374 H CB 0.188 29.841 29.762 -0.181 0.000 1.373 374 H HN -0.026 nan 8.280 nan 0.000 0.580 375 K N -0.542 119.765 120.400 -0.157 0.000 3.012 375 K HA 0.338 4.658 4.320 0.000 0.000 0.207 375 K C 0.913 177.402 176.600 -0.185 0.000 1.130 375 K CA 0.179 56.392 56.287 -0.125 0.000 1.021 375 K CB 1.303 33.759 32.500 -0.074 0.000 0.736 375 K HN 0.116 nan 8.250 nan 0.000 0.448 376 A N 0.791 123.437 122.820 -0.291 0.000 1.848 376 A HA -0.194 4.126 4.320 0.000 0.000 0.217 376 A C 2.055 179.677 177.584 0.064 0.000 1.220 376 A CA 2.060 53.999 52.037 -0.163 0.000 0.645 376 A CB -0.823 18.068 19.000 -0.181 0.000 0.842 376 A HN 0.104 nan 8.150 nan 0.000 0.451 377 V N 0.213 120.133 119.914 0.010 0.000 2.370 377 V HA -0.341 3.779 4.120 0.000 0.000 0.252 377 V C 2.431 178.548 176.094 0.040 0.000 1.068 377 V CA 2.561 64.886 62.300 0.041 0.000 1.061 377 V CB -1.105 30.725 31.823 0.013 0.000 0.656 377 V HN 0.655 nan 8.190 nan 0.000 0.455 378 E N -0.232 119.977 120.200 0.015 0.000 2.077 378 E HA -0.177 4.173 4.350 0.000 0.000 0.193 378 E C 2.329 178.950 176.600 0.036 0.000 0.989 378 E CA 1.789 58.199 56.400 0.016 0.000 0.800 378 E CB -0.271 29.428 29.700 -0.001 0.000 0.746 378 E HN 0.606 nan 8.360 nan 0.000 0.452 379 T N 0.772 115.359 114.554 0.056 0.000 2.857 379 T HA -0.074 4.276 4.350 0.000 0.000 0.266 379 T C 1.966 176.742 174.700 0.127 0.000 1.048 379 T CA 0.942 63.103 62.100 0.101 0.000 1.139 379 T CB -0.160 68.807 68.868 0.165 0.000 0.874 379 T HN 0.226 nan 8.240 nan 0.000 0.455 380 A N 2.175 125.089 122.820 0.156 0.000 1.883 380 A HA -0.192 4.128 4.320 0.000 0.000 0.217 380 A C 2.246 179.860 177.584 0.049 0.000 1.186 380 A CA 1.788 53.886 52.037 0.101 0.000 0.624 380 A CB -0.516 18.546 19.000 0.104 0.000 0.822 380 A HN 0.460 nan 8.150 nan 0.000 0.444 381 K N -0.971 119.455 120.400 0.044 0.000 2.063 381 K HA -0.127 4.193 4.320 0.000 0.000 0.208 381 K C 2.146 178.759 176.600 0.023 0.000 1.048 381 K CA 1.842 58.145 56.287 0.025 0.000 0.928 381 K CB -0.502 32.011 32.500 0.022 0.000 0.713 381 K HN 0.522 nan 8.250 nan 0.000 0.442 382 T N 1.739 116.310 114.554 0.029 0.000 2.684 382 T HA -0.133 4.217 4.350 0.000 0.000 0.267 382 T C 1.931 176.643 174.700 0.020 0.000 1.036 382 T CA 1.346 63.461 62.100 0.025 0.000 1.148 382 T CB -0.243 68.641 68.868 0.027 0.000 0.863 382 T HN 0.142 nan 8.240 nan 0.000 0.436 383 I N 0.650 121.232 120.570 0.020 0.000 2.142 383 I HA -0.141 4.029 4.170 0.000 0.000 0.240 383 I C 2.315 178.433 176.117 0.001 0.000 1.078 383 I CA 1.438 62.741 61.300 0.005 0.000 1.343 383 I CB -0.474 37.521 38.000 -0.008 0.000 1.046 383 I HN 0.203 nan 8.210 nan 0.000 0.405 384 I N 0.204 120.774 120.570 -0.000 0.000 2.361 384 I HA -0.270 3.900 4.170 0.000 0.000 0.251 384 I C 2.676 178.796 176.117 0.005 0.000 1.133 384 I CA 1.078 62.375 61.300 -0.005 0.000 1.413 384 I CB -0.361 37.632 38.000 -0.011 0.000 1.073 384 I HN 0.167 nan 8.210 nan 0.000 0.424 385 R N 0.648 121.156 120.500 0.012 0.000 2.081 385 R HA -0.070 4.270 4.340 0.000 0.000 0.235 385 R C 2.245 178.564 176.300 0.032 0.000 1.131 385 R CA 1.525 57.637 56.100 0.020 0.000 0.960 385 R CB -0.524 29.788 30.300 0.020 0.000 0.856 385 R HN 0.282 nan 8.270 nan 0.000 0.436 386 M N -0.651 118.965 119.600 0.028 0.000 2.202 386 M HA -0.172 4.308 4.480 0.000 0.000 0.262 386 M C 2.120 178.449 176.300 0.049 0.000 1.063 386 M CA 1.919 57.240 55.300 0.035 0.000 1.097 386 M CB -0.263 32.351 32.600 0.022 0.000 1.382 386 M HN 0.245 nan 8.290 nan 0.000 0.413 387 A N 0.538 123.383 122.820 0.042 0.000 1.874 387 A HA -0.040 4.280 4.320 0.000 0.000 0.214 387 A C 1.983 179.632 177.584 0.109 0.000 1.189 387 A CA 1.039 53.112 52.037 0.061 0.000 0.615 387 A CB -0.744 18.273 19.000 0.028 0.000 0.830 387 A HN 0.449 nan 8.150 nan 0.000 0.443 388 I N 0.014 120.626 120.570 0.070 0.000 2.657 388 I HA -0.272 3.898 4.170 0.000 0.000 0.261 388 I C 2.663 178.875 176.117 0.159 0.000 1.212 388 I CA 0.842 62.189 61.300 0.079 0.000 1.453 388 I CB -0.260 37.752 38.000 0.021 0.000 1.092 388 I HN 0.388 nan 8.210 nan 0.000 0.452 389 A N 0.784 123.682 122.820 0.130 0.000 1.850 389 A HA 0.122 4.442 4.320 0.000 0.000 0.212 389 A C 2.549 180.226 177.584 0.156 0.000 1.208 389 A CA 1.001 53.113 52.037 0.125 0.000 0.609 389 A CB -0.816 18.234 19.000 0.083 0.000 0.860 389 A HN 0.334 nan 8.150 nan 0.000 0.448 390 A N -1.164 121.752 122.820 0.160 0.000 2.131 390 A HA -0.087 4.233 4.320 0.000 0.000 0.220 390 A C 1.900 179.659 177.584 0.292 0.000 1.158 390 A CA 1.601 53.759 52.037 0.201 0.000 0.665 390 A CB -0.792 18.305 19.000 0.161 0.000 0.795 390 A HN 0.686 nan 8.150 nan 0.000 0.460 391 F N 1.063 121.089 119.950 0.126 0.000 2.075 391 F HA -0.020 4.507 4.527 0.000 0.000 0.297 391 F C 2.152 177.980 175.800 0.046 0.000 1.113 391 F CA 1.658 59.718 58.000 0.101 0.000 1.218 391 F CB -0.750 38.286 39.000 0.061 0.000 0.984 391 F HN 0.184 nan 8.300 nan 0.000 0.472 392 G N -0.505 108.288 108.800 -0.012 0.000 2.776 392 G HA2 -0.160 3.800 3.960 0.000 0.000 0.209 392 G HA3 -0.160 3.800 3.960 0.000 0.000 0.209 392 G C 1.573 176.394 174.900 -0.131 0.000 1.145 392 G CA 0.230 45.248 45.100 -0.137 0.000 0.791 392 G HN 0.390 nan 8.290 nan 0.000 0.530 393 R N -0.336 120.108 120.500 -0.093 0.000 2.437 393 R HA 0.216 4.556 4.340 0.000 0.000 0.257 393 R C 1.112 177.298 176.300 -0.189 0.000 0.927 393 R CA -0.614 55.450 56.100 -0.060 0.000 1.078 393 R CB 0.135 30.469 30.300 0.057 0.000 1.161 393 R HN 0.237 nan 8.270 nan 0.000 0.529 394 R N 0.917 121.170 120.500 -0.413 0.000 2.537 394 R HA -0.014 4.326 4.340 0.000 0.000 0.280 394 R C -0.747 175.272 176.300 -0.469 0.000 1.058 394 R CA -0.078 55.525 56.100 -0.828 0.000 1.057 394 R CB 0.577 30.438 30.300 -0.732 0.000 0.973 394 R HN -0.083 nan 8.270 nan 0.000 0.438 395 D N 5.673 125.843 120.400 -0.384 0.000 2.338 395 D HA 0.067 4.707 4.640 0.000 0.000 0.255 395 D C -1.482 174.726 176.300 -0.154 0.000 1.237 395 D CA -2.043 51.842 54.000 -0.193 0.000 0.883 395 D CB 1.531 42.258 40.800 -0.123 0.000 1.087 395 D HN 0.487 nan 8.370 nan 0.000 0.485 396 P HA -0.068 nan 4.420 nan 0.000 0.223 396 P C 0.416 177.684 177.300 -0.052 0.000 1.151 396 P CA 0.576 63.618 63.100 -0.097 0.000 0.787 396 P CB 0.552 32.195 31.700 -0.095 0.000 0.788 397 N N -0.155 118.515 118.700 -0.051 0.000 2.336 397 N HA 0.079 4.819 4.740 0.000 0.000 0.189 397 N C 1.374 176.872 175.510 -0.019 0.000 1.113 397 N CA 0.187 53.219 53.050 -0.031 0.000 0.858 397 N CB 0.232 38.698 38.487 -0.035 0.000 0.970 397 N HN 0.303 nan 8.380 nan 0.000 0.471 398 R N -0.027 120.464 120.500 -0.014 0.000 2.446 398 R HA 0.229 4.569 4.340 0.000 0.000 0.254 398 R C 0.198 176.548 176.300 0.084 0.000 0.918 398 R CA -0.127 55.983 56.100 0.018 0.000 1.069 398 R CB 0.885 31.173 30.300 -0.020 0.000 1.194 398 R HN -0.100 nan 8.270 nan 0.000 0.534 399 V N 1.599 121.550 119.914 0.063 0.000 3.032 399 V HA 0.220 4.340 4.120 0.000 0.000 0.307 399 V C 0.381 176.523 176.094 0.082 0.000 1.097 399 V CA 0.368 62.718 62.300 0.083 0.000 1.191 399 V CB 1.243 33.097 31.823 0.052 0.000 0.964 399 V HN 0.349 nan 8.190 nan 0.000 0.494 400 A N 5.783 128.657 122.820 0.090 0.000 2.480 400 A HA 0.549 4.869 4.320 0.000 0.000 0.302 400 A C -0.999 176.633 177.584 0.080 0.000 1.151 400 A CA -0.493 51.593 52.037 0.081 0.000 0.907 400 A CB 0.189 19.240 19.000 0.085 0.000 1.487 400 A HN 0.634 nan 8.150 nan 0.000 0.396 401 I N 2.932 123.549 120.570 0.079 0.000 2.330 401 I HA 0.330 4.500 4.170 0.000 0.000 0.286 401 I C -2.088 174.096 176.117 0.112 0.000 1.025 401 I CA -1.919 59.432 61.300 0.084 0.000 1.197 401 I CB 1.448 39.494 38.000 0.076 0.000 1.358 401 I HN 0.361 nan 8.210 nan 0.000 0.467 402 P HA -0.016 nan 4.420 nan 0.000 0.266 402 P C 0.624 178.086 177.300 0.271 0.000 1.186 402 P CA 0.043 63.319 63.100 0.293 0.000 0.767 402 P CB 0.876 32.773 31.700 0.328 0.000 0.820 403 A N 2.580 125.513 122.820 0.190 0.000 2.014 403 A HA -0.024 4.296 4.320 0.000 0.000 0.218 403 A C 0.675 178.278 177.584 0.031 0.000 1.163 403 A CA 0.219 52.268 52.037 0.020 0.000 0.652 403 A CB -1.134 17.790 19.000 -0.126 0.000 0.808 403 A HN 0.586 nan 8.150 nan 0.000 0.449 404 F N 0.629 120.589 119.950 0.016 0.000 2.374 404 F HA -0.031 4.496 4.527 0.000 0.000 0.405 404 F C 0.969 176.782 175.800 0.022 0.000 0.976 404 F CA 1.052 59.063 58.000 0.018 0.000 1.037 404 F CB 0.011 39.019 39.000 0.014 0.000 0.888 404 F HN 0.166 nan 8.300 nan 0.000 0.519 405 K N 3.467 123.951 120.400 0.140 0.000 2.992 405 K HA 0.144 4.464 4.320 0.000 0.000 0.178 405 K C -0.646 176.006 176.600 0.087 0.000 1.122 405 K CA -0.778 55.571 56.287 0.104 0.000 0.926 405 K CB 0.486 33.028 32.500 0.069 0.000 1.121 405 K HN 0.480 nan 8.250 nan 0.000 0.610 406 Q N 2.683 122.547 119.800 0.107 0.000 2.311 406 Q HA 0.084 4.424 4.340 0.000 0.000 0.272 406 Q C -0.944 175.107 176.000 0.085 0.000 1.012 406 Q CA 0.544 56.404 55.803 0.095 0.000 0.891 406 Q CB 0.765 29.568 28.738 0.108 0.000 1.201 406 Q HN 0.179 nan 8.270 nan 0.000 0.391 407 K N 1.446 121.892 120.400 0.076 0.000 2.185 407 K HA 0.535 4.855 4.320 0.000 0.000 0.271 407 K C -0.902 175.752 176.600 0.089 0.000 1.013 407 K CA -0.073 56.259 56.287 0.076 0.000 0.943 407 K CB 1.220 33.758 32.500 0.064 0.000 0.998 407 K HN 0.667 nan 8.250 nan 0.000 0.468 408 S N 1.366 117.126 115.700 0.100 0.000 2.536 408 S HA 0.528 4.999 4.470 0.000 0.000 0.271 408 S C -0.739 173.943 174.600 0.137 0.000 1.134 408 S CA -0.798 57.475 58.200 0.122 0.000 0.897 408 S CB 0.994 64.282 63.200 0.148 0.000 1.094 408 S HN 0.388 nan 8.310 nan 0.000 0.473 409 I N 3.131 123.798 120.570 0.162 0.000 2.330 409 I HA 0.447 4.617 4.170 0.000 0.000 0.286 409 I C -0.047 176.276 176.117 0.343 0.000 1.025 409 I CA -0.577 60.857 61.300 0.222 0.000 1.197 409 I CB 0.817 38.956 38.000 0.233 0.000 1.358 409 I HN 0.518 nan 8.210 nan 0.000 0.467 410 V N 2.012 122.107 119.914 0.302 0.000 3.182 410 V HA 0.972 5.092 4.120 0.000 0.000 0.311 410 V C 0.607 176.814 176.094 0.188 0.000 1.221 410 V CA -0.308 62.190 62.300 0.331 0.000 1.060 410 V CB 1.317 33.217 31.823 0.128 0.000 1.164 410 V HN 0.885 nan 8.190 nan 0.000 0.466 411 G N -0.332 108.530 108.800 0.104 0.000 2.167 411 G HA2 -0.168 3.792 3.960 0.000 0.000 0.194 411 G HA3 -0.168 3.792 3.960 0.000 0.000 0.194 411 G C -0.606 174.194 174.900 -0.167 0.000 1.027 411 G CA 0.073 45.131 45.100 -0.070 0.000 0.717 411 G HN 0.962 nan 8.290 nan 0.000 0.501 412 F N 3.115 123.072 119.950 0.012 0.000 2.509 412 F HA 0.459 4.986 4.527 0.000 0.000 0.344 412 F C 1.461 177.280 175.800 0.031 0.000 1.197 412 F CA -0.326 57.692 58.000 0.029 0.000 1.294 412 F CB 0.176 39.205 39.000 0.048 0.000 1.643 412 F HN 0.314 nan 8.300 nan 0.000 0.596 413 S N 0.225 115.966 115.700 0.069 0.000 2.589 413 S HA 0.389 4.859 4.470 0.000 0.000 0.265 413 S C 1.540 176.187 174.600 0.078 0.000 1.342 413 S CA -0.317 57.923 58.200 0.066 0.000 1.005 413 S CB 1.265 64.478 63.200 0.022 0.000 0.909 413 S HN 0.525 nan 8.310 nan 0.000 0.555 414 A N 0.752 123.614 122.820 0.069 0.000 1.978 414 A HA -0.089 4.232 4.320 0.000 0.000 0.220 414 A C 2.006 179.619 177.584 0.049 0.000 1.170 414 A CA 1.820 53.896 52.037 0.064 0.000 0.636 414 A CB -1.073 17.958 19.000 0.051 0.000 0.810 414 A HN 0.889 nan 8.150 nan 0.000 0.448 415 E N 0.084 120.304 120.200 0.033 0.000 2.017 415 E HA -0.029 4.321 4.350 0.000 0.000 0.193 415 E C 2.357 178.961 176.600 0.006 0.000 0.997 415 E CA 1.438 57.849 56.400 0.017 0.000 0.804 415 E CB -0.640 29.065 29.700 0.008 0.000 0.757 415 E HN 0.530 nan 8.360 nan 0.000 0.448 416 A N 0.638 123.447 122.820 -0.017 0.000 1.927 416 A HA -0.253 4.067 4.320 0.000 0.000 0.220 416 A C 2.519 180.102 177.584 -0.002 0.000 1.185 416 A CA 1.965 53.964 52.037 -0.063 0.000 0.639 416 A CB -1.029 17.865 19.000 -0.177 0.000 0.820 416 A HN 0.160 nan 8.150 nan 0.000 0.451 417 V N -0.633 119.325 119.914 0.073 0.000 2.343 417 V HA -0.219 3.901 4.120 0.000 0.000 0.247 417 V C 2.537 178.675 176.094 0.073 0.000 1.051 417 V CA 2.001 64.377 62.300 0.125 0.000 1.036 417 V CB -0.620 31.287 31.823 0.140 0.000 0.654 417 V HN 0.400 nan 8.190 nan 0.000 0.451 418 V N 0.160 120.103 119.914 0.048 0.000 2.548 418 V HA -0.151 3.969 4.120 0.000 0.000 0.249 418 V C 2.621 178.730 176.094 0.023 0.000 1.055 418 V CA 1.584 63.904 62.300 0.033 0.000 1.065 418 V CB -0.955 30.883 31.823 0.026 0.000 0.681 418 V HN 0.540 nan 8.190 nan 0.000 0.462 419 A N 0.237 123.066 122.820 0.014 0.000 1.902 419 A HA -0.076 4.244 4.320 0.000 0.000 0.217 419 A C 2.420 180.009 177.584 0.008 0.000 1.181 419 A CA 1.956 53.994 52.037 0.002 0.000 0.623 419 A CB -0.644 18.346 19.000 -0.017 0.000 0.818 419 A HN 0.539 nan 8.150 nan 0.000 0.443 420 A N -0.255 122.578 122.820 0.021 0.000 1.898 420 A HA 0.026 4.346 4.320 0.000 0.000 0.216 420 A C 2.052 179.658 177.584 0.037 0.000 1.181 420 A CA 1.325 53.384 52.037 0.036 0.000 0.620 420 A CB -0.587 18.459 19.000 0.076 0.000 0.819 420 A HN 0.454 nan 8.150 nan 0.000 0.442 421 L N -0.656 120.591 121.223 0.040 0.000 2.353 421 L HA -0.155 4.185 4.340 0.000 0.000 0.220 421 L C 2.878 179.761 176.870 0.022 0.000 1.133 421 L CA 0.597 55.456 54.840 0.032 0.000 0.798 421 L CB -0.432 41.646 42.059 0.033 0.000 0.922 421 L HN 0.470 nan 8.230 nan 0.000 0.445 422 A N -0.142 122.689 122.820 0.018 0.000 1.897 422 A HA -0.143 4.177 4.320 0.000 0.000 0.215 422 A C 1.906 179.497 177.584 0.011 0.000 1.181 422 A CA 1.051 53.095 52.037 0.012 0.000 0.620 422 A CB -0.190 18.815 19.000 0.008 0.000 0.821 422 A HN 0.117 nan 8.150 nan 0.000 0.443 423 K N -0.644 119.764 120.400 0.013 0.000 2.699 423 K HA 0.182 4.502 4.320 0.000 0.000 0.205 423 K C 0.589 177.198 176.600 0.014 0.000 1.008 423 K CA 0.598 56.892 56.287 0.012 0.000 1.100 423 K CB 0.023 32.531 32.500 0.013 0.000 0.878 423 K HN 0.269 nan 8.250 nan 0.000 0.496 424 V N -1.225 118.698 119.914 0.015 0.000 3.443 424 V HA 0.240 4.360 4.120 0.000 0.000 0.277 424 V C -1.152 174.949 176.094 0.012 0.000 1.648 424 V CA -0.147 62.162 62.300 0.015 0.000 1.058 424 V CB -0.035 31.799 31.823 0.018 0.000 0.877 424 V HN 0.518 nan 8.190 nan 0.000 0.417 425 N N -0.288 118.419 118.700 0.011 0.000 4.193 425 N HA 0.201 4.941 4.740 0.000 0.000 0.161 425 N C 0.455 175.970 175.510 0.008 0.000 1.406 425 N CA 0.609 53.664 53.050 0.009 0.000 0.884 425 N CB 0.576 39.069 38.487 0.009 0.000 1.738 425 N HN 0.150 nan 8.380 nan 0.000 0.780 426 A N 1.374 124.198 122.820 0.006 0.000 2.121 426 A HA -0.113 4.207 4.320 0.000 0.000 0.218 426 A C 1.446 179.033 177.584 0.004 0.000 1.154 426 A CA 1.309 53.349 52.037 0.005 0.000 0.679 426 A CB -0.071 18.930 19.000 0.003 0.000 0.795 426 A HN 0.728 nan 8.150 nan 0.000 0.458 427 D N 0.073 120.476 120.400 0.004 0.000 2.149 427 D HA -0.016 4.624 4.640 0.000 0.000 0.206 427 D C -0.256 176.047 176.300 0.005 0.000 0.967 427 D CA 0.810 54.812 54.000 0.004 0.000 0.848 427 D CB -0.008 40.794 40.800 0.003 0.000 0.998 427 D HN 0.372 nan 8.370 nan 0.000 0.474 428 D N 0.435 120.838 120.400 0.006 0.000 2.400 428 D HA 0.167 4.807 4.640 0.000 0.000 0.272 428 D C -1.942 174.364 176.300 0.009 0.000 1.220 428 D CA -1.345 52.659 54.000 0.007 0.000 0.897 428 D CB 2.359 43.163 40.800 0.006 0.000 1.134 428 D HN -0.122 nan 8.370 nan 0.000 0.507 429 P HA -0.121 nan 4.420 nan 0.000 0.218 429 P C 1.518 178.828 177.300 0.015 0.000 1.148 429 P CA 0.522 63.630 63.100 0.014 0.000 0.822 429 P CB 0.509 32.218 31.700 0.015 0.000 0.784 430 L N -0.849 120.382 121.223 0.013 0.000 2.313 430 L HA -0.058 4.282 4.340 0.000 0.000 0.214 430 L C 2.285 179.161 176.870 0.010 0.000 1.119 430 L CA 1.484 56.332 54.840 0.013 0.000 0.809 430 L CB -1.360 40.706 42.059 0.010 0.000 0.933 430 L HN -0.112 nan 8.230 nan 0.000 0.449 431 K N 1.222 121.627 120.400 0.009 0.000 1.988 431 K HA -0.182 4.138 4.320 0.000 0.000 0.221 431 K C -0.637 175.968 176.600 0.009 0.000 1.053 431 K CA 2.282 58.574 56.287 0.008 0.000 0.959 431 K CB -1.587 30.917 32.500 0.007 0.000 0.728 431 K HN 0.172 nan 8.250 nan 0.000 0.447 432 P HA -0.228 nan 4.420 nan 0.000 0.216 432 P C 1.660 178.967 177.300 0.012 0.000 1.153 432 P CA 1.358 64.465 63.100 0.012 0.000 0.858 432 P CB -0.222 31.487 31.700 0.014 0.000 0.789 433 L N 0.004 121.235 121.223 0.013 0.000 2.046 433 L HA -0.097 4.243 4.340 0.000 0.000 0.208 433 L C 2.379 179.254 176.870 0.008 0.000 1.077 433 L CA 1.822 56.669 54.840 0.012 0.000 0.747 433 L CB -1.153 40.915 42.059 0.015 0.000 0.896 433 L HN -0.128 nan 8.230 nan 0.000 0.432 434 V N 0.693 120.611 119.914 0.007 0.000 2.237 434 V HA -0.293 3.827 4.120 0.000 0.000 0.245 434 V C 2.440 178.536 176.094 0.003 0.000 1.046 434 V CA 2.023 64.325 62.300 0.004 0.000 1.007 434 V CB -0.653 31.173 31.823 0.004 0.000 0.638 434 V HN 0.433 nan 8.190 nan 0.000 0.445 435 D N 0.487 120.889 120.400 0.005 0.000 2.156 435 D HA -0.216 4.424 4.640 0.000 0.000 0.190 435 D C 1.981 178.284 176.300 0.005 0.000 0.998 435 D CA 1.685 55.688 54.000 0.005 0.000 0.842 435 D CB -0.709 40.094 40.800 0.006 0.000 0.974 435 D HN 0.375 nan 8.370 nan 0.000 0.447 436 N N 0.462 119.166 118.700 0.007 0.000 2.247 436 N HA -0.136 4.604 4.740 0.000 0.000 0.189 436 N C 1.918 177.432 175.510 0.007 0.000 1.009 436 N CA 0.602 53.657 53.050 0.008 0.000 0.872 436 N CB -0.148 38.345 38.487 0.010 0.000 0.980 436 N HN 0.111 nan 8.380 nan 0.000 0.436 437 V N 0.390 120.307 119.914 0.004 0.000 2.719 437 V HA -0.070 4.050 4.120 0.000 0.000 0.252 437 V C 2.294 178.386 176.094 -0.003 0.000 1.065 437 V CA 0.707 63.006 62.300 -0.001 0.000 1.086 437 V CB 0.018 31.838 31.823 -0.005 0.000 0.700 437 V HN 0.040 nan 8.190 nan 0.000 0.467 438 V N 2.008 121.921 119.914 -0.001 0.000 2.488 438 V HA -0.166 3.954 4.120 0.000 0.000 0.246 438 V C 2.268 178.363 176.094 0.000 0.000 1.046 438 V CA 2.101 64.400 62.300 -0.002 0.000 1.053 438 V CB -0.890 30.933 31.823 -0.001 0.000 0.679 438 V HN 0.864 nan 8.190 nan 0.000 0.458 439 N N 0.629 119.331 118.700 0.004 0.000 2.300 439 N HA 0.158 4.898 4.740 0.000 0.000 0.179 439 N C 1.372 176.888 175.510 0.009 0.000 1.016 439 N CA 1.626 54.680 53.050 0.006 0.000 0.876 439 N CB 0.093 38.584 38.487 0.007 0.000 0.979 439 N HN 0.418 nan 8.380 nan 0.000 0.432 440 G N -0.966 107.840 108.800 0.011 0.000 2.367 440 G HA2 -0.234 3.726 3.960 0.000 0.000 0.181 440 G HA3 -0.234 3.726 3.960 0.000 0.000 0.181 440 G C 0.802 175.718 174.900 0.025 0.000 1.000 440 G CA 0.135 45.246 45.100 0.018 0.000 0.693 440 G HN 0.227 nan 8.290 nan 0.000 0.480 441 N N 0.314 119.026 118.700 0.021 0.000 2.094 441 N HA -0.061 4.679 4.740 0.000 0.000 0.191 441 N C 0.868 176.394 175.510 0.027 0.000 1.023 441 N CA 1.298 54.361 53.050 0.022 0.000 0.857 441 N CB 0.114 38.611 38.487 0.017 0.000 1.013 441 N HN 0.499 nan 8.380 nan 0.000 0.426 442 I N 1.782 122.366 120.570 0.022 0.000 2.371 442 I HA 0.086 4.256 4.170 0.000 0.000 0.282 442 I C 0.976 177.105 176.117 0.021 0.000 1.031 442 I CA -0.402 60.912 61.300 0.023 0.000 1.180 442 I CB 1.795 39.802 38.000 0.012 0.000 1.336 442 I HN -0.123 nan 8.210 nan 0.000 0.467 443 Q N 3.868 123.695 119.800 0.044 0.000 2.084 443 Q HA 0.025 4.365 4.340 0.000 0.000 0.202 443 Q C 0.951 176.935 176.000 -0.026 0.000 0.978 443 Q CA 0.972 56.790 55.803 0.025 0.000 0.844 443 Q CB 0.286 29.096 28.738 0.121 0.000 0.898 443 Q HN 0.898 nan 8.270 nan 0.000 0.426 444 G N -1.225 107.572 108.800 -0.006 0.000 2.427 444 G HA2 0.499 4.459 3.960 0.000 0.000 0.306 444 G HA3 0.499 4.459 3.960 0.000 0.000 0.306 444 G C -1.627 173.258 174.900 -0.025 0.000 1.280 444 G CA -0.841 44.239 45.100 -0.032 0.000 0.837 444 G HN 0.040 nan 8.290 nan 0.000 0.482 445 I N 0.106 120.648 120.570 -0.047 0.000 2.533 445 I HA 0.552 4.722 4.170 0.000 0.000 0.290 445 I C -0.727 175.327 176.117 -0.105 0.000 1.056 445 I CA -1.172 60.092 61.300 -0.061 0.000 1.057 445 I CB 2.220 40.191 38.000 -0.048 0.000 1.240 445 I HN 0.356 nan 8.210 nan 0.000 0.423 446 V N 7.409 127.230 119.914 -0.155 0.000 2.417 446 V HA 0.471 4.591 4.120 0.000 0.000 0.291 446 V C -0.781 175.106 176.094 -0.345 0.000 1.024 446 V CA -0.523 61.599 62.300 -0.297 0.000 0.861 446 V CB 1.987 33.547 31.823 -0.437 0.000 0.985 446 V HN 0.542 nan 8.190 nan 0.000 0.436 447 L N 7.450 128.485 121.223 -0.313 0.000 2.276 447 L HA 0.552 4.892 4.340 0.000 0.000 0.286 447 L C -1.165 175.571 176.870 -0.223 0.000 1.024 447 L CA -0.346 54.378 54.840 -0.193 0.000 0.826 447 L CB 1.055 43.062 42.059 -0.086 0.000 1.211 447 L HN 0.622 nan 8.230 nan 0.000 0.422 448 F N 5.246 125.222 119.950 0.044 0.000 2.404 448 F HA 0.405 4.932 4.527 0.000 0.000 0.358 448 F C 0.454 176.246 175.800 -0.014 0.000 1.120 448 F CA -0.479 57.563 58.000 0.070 0.000 1.144 448 F CB 1.568 40.686 39.000 0.197 0.000 1.133 448 F HN 0.292 nan 8.300 nan 0.000 0.495 449 V N 1.159 121.176 119.914 0.172 0.000 3.102 449 V HA 1.088 5.208 4.120 0.000 0.000 0.312 449 V C -0.294 175.856 176.094 0.094 0.000 1.135 449 V CA -0.413 61.925 62.300 0.063 0.000 1.022 449 V CB 1.365 33.194 31.823 0.010 0.000 1.056 449 V HN 1.104 nan 8.190 nan 0.000 0.436 450 G N 0.077 108.914 108.800 0.062 0.000 2.353 450 G HA2 0.273 4.233 3.960 0.000 0.000 0.424 450 G HA3 0.273 4.233 3.960 0.000 0.000 0.424 450 G C -0.558 174.414 174.900 0.120 0.000 1.320 450 G CA -0.068 45.100 45.100 0.114 0.000 0.995 450 G HN 1.509 nan 8.290 nan 0.000 0.580 451 C N -0.969 118.395 119.300 0.107 0.000 2.511 451 C HA 0.868 5.328 4.460 0.000 0.000 0.221 451 C C 0.129 175.194 174.990 0.125 0.000 2.963 451 C CA -0.818 58.236 59.018 0.059 0.000 1.934 451 C CB 0.808 28.486 27.740 -0.104 0.000 2.827 451 C HN 0.760 nan 8.230 nan 0.000 0.360 452 N N 0.603 119.343 118.700 0.066 0.000 2.577 452 N HA 0.327 5.067 4.740 0.000 0.000 0.275 452 N C -1.032 174.490 175.510 0.020 0.000 1.091 452 N CA 0.150 53.240 53.050 0.067 0.000 0.843 452 N CB 1.595 40.176 38.487 0.157 0.000 1.295 452 N HN 0.658 nan 8.380 nan 0.000 0.530 453 T N -0.438 114.068 114.554 -0.079 0.000 2.922 453 T HA 0.283 4.633 4.350 0.000 0.000 0.285 453 T C 1.429 176.013 174.700 -0.193 0.000 1.005 453 T CA -0.211 61.818 62.100 -0.118 0.000 1.061 453 T CB 0.653 69.445 68.868 -0.126 0.000 1.007 453 T HN 0.525 nan 8.240 nan 0.000 0.502 454 T N 1.231 115.592 114.554 -0.322 0.000 3.067 454 T HA 0.124 4.474 4.350 0.000 0.000 0.261 454 T C 1.368 175.710 174.700 -0.597 0.000 1.110 454 T CA 0.434 62.202 62.100 -0.553 0.000 1.113 454 T CB -0.110 68.188 68.868 -0.950 0.000 0.917 454 T HN 0.657 nan 8.240 nan 0.000 0.499 455 K N 1.010 121.178 120.400 -0.386 0.000 2.589 455 K HA 0.290 4.610 4.320 0.000 0.000 0.192 455 K C -0.386 176.150 176.600 -0.106 0.000 1.029 455 K CA 0.027 56.203 56.287 -0.185 0.000 1.031 455 K CB 0.089 32.547 32.500 -0.069 0.000 0.821 455 K HN 0.256 nan 8.250 nan 0.000 0.502 456 V N 0.902 120.739 119.914 -0.129 0.000 2.969 456 V HA 0.049 4.170 4.120 0.000 0.000 0.304 456 V C -0.778 175.278 176.094 -0.064 0.000 1.192 456 V CA -1.168 61.078 62.300 -0.090 0.000 0.962 456 V CB 2.181 33.928 31.823 -0.127 0.000 1.045 456 V HN 0.103 nan 8.190 nan 0.000 0.428 457 Q N 3.224 123.004 119.800 -0.033 0.000 2.247 457 Q HA 0.036 4.376 4.340 0.000 0.000 0.288 457 Q C 0.968 176.968 176.000 0.001 0.000 1.079 457 Q CA 0.101 55.907 55.803 0.006 0.000 0.932 457 Q CB 0.451 29.182 28.738 -0.011 0.000 1.133 457 Q HN 0.618 nan 8.270 nan 0.000 0.377 458 Q N 1.975 121.836 119.800 0.102 0.000 2.473 458 Q HA -0.336 4.004 4.340 0.000 0.000 0.238 458 Q C 0.003 176.009 176.000 0.010 0.000 1.088 458 Q CA 2.244 58.118 55.803 0.119 0.000 0.989 458 Q CB -0.167 28.665 28.738 0.157 0.000 0.972 458 Q HN 0.755 nan 8.270 nan 0.000 0.543 459 D N -0.917 119.479 120.400 -0.007 0.000 2.696 459 D HA 0.152 4.792 4.640 0.000 0.000 0.269 459 D C 0.871 177.132 176.300 -0.065 0.000 1.319 459 D CA 0.209 54.195 54.000 -0.022 0.000 0.826 459 D CB 0.371 41.182 40.800 0.020 0.000 1.086 459 D HN 0.153 nan 8.370 nan 0.000 0.481 460 S N 1.038 116.682 115.700 -0.093 0.000 2.349 460 S HA -0.179 4.291 4.470 0.000 0.000 0.216 460 S C 2.163 176.710 174.600 -0.087 0.000 1.033 460 S CA 1.656 59.812 58.200 -0.073 0.000 1.021 460 S CB 0.095 63.258 63.200 -0.062 0.000 0.968 460 S HN 0.298 nan 8.310 nan 0.000 0.426 461 A N 0.312 123.041 122.820 -0.152 0.000 1.892 461 A HA -0.101 4.219 4.320 0.000 0.000 0.218 461 A C 1.976 179.518 177.584 -0.071 0.000 1.188 461 A CA 1.912 53.879 52.037 -0.117 0.000 0.631 461 A CB -1.444 17.460 19.000 -0.161 0.000 0.822 461 A HN 0.793 nan 8.150 nan 0.000 0.447 462 Y N -0.353 119.842 120.300 -0.175 0.000 2.040 462 Y HA -0.296 4.254 4.550 0.000 0.000 0.275 462 Y C 2.657 178.481 175.900 -0.127 0.000 1.171 462 Y CA 1.224 59.107 58.100 -0.363 0.000 1.123 462 Y CB -0.473 37.572 38.460 -0.692 0.000 0.963 462 Y HN 0.154 nan 8.280 nan 0.000 0.493 463 V N 0.170 120.146 119.914 0.104 0.000 2.295 463 V HA -0.295 3.825 4.120 0.000 0.000 0.246 463 V C 1.660 177.766 176.094 0.020 0.000 1.049 463 V CA 2.106 64.469 62.300 0.105 0.000 1.024 463 V CB -0.539 31.305 31.823 0.034 0.000 0.648 463 V HN 0.458 nan 8.190 nan 0.000 0.447 464 D N -0.294 120.113 120.400 0.011 0.000 2.149 464 D HA -0.086 4.554 4.640 0.000 0.000 0.201 464 D C 2.122 178.441 176.300 0.031 0.000 0.972 464 D CA 0.952 54.955 54.000 0.005 0.000 0.835 464 D CB -0.020 40.784 40.800 0.007 0.000 0.966 464 D HN 0.337 nan 8.370 nan 0.000 0.476 465 L N 0.650 121.914 121.223 0.069 0.000 2.109 465 L HA -0.099 4.241 4.340 0.000 0.000 0.207 465 L C 2.399 179.406 176.870 0.229 0.000 1.086 465 L CA 0.817 55.754 54.840 0.160 0.000 0.760 465 L CB -0.120 42.095 42.059 0.260 0.000 0.910 465 L HN -0.053 nan 8.230 nan 0.000 0.437 466 A N 0.101 122.984 122.820 0.105 0.000 1.845 466 A HA -0.234 4.086 4.320 0.000 0.000 0.215 466 A C 2.247 179.833 177.584 0.003 0.000 1.195 466 A CA 1.752 53.825 52.037 0.060 0.000 0.616 466 A CB -0.392 18.440 19.000 -0.279 0.000 0.832 466 A HN 0.309 nan 8.150 nan 0.000 0.443 467 K N -0.261 120.093 120.400 -0.077 0.000 2.063 467 K HA -0.142 4.178 4.320 0.000 0.000 0.208 467 K C 2.450 179.045 176.600 -0.008 0.000 1.048 467 K CA 1.397 57.625 56.287 -0.097 0.000 0.928 467 K CB -0.325 32.067 32.500 -0.181 0.000 0.713 467 K HN 0.449 nan 8.250 nan 0.000 0.442 468 S N 1.272 116.978 115.700 0.010 0.000 2.369 468 S HA -0.170 4.300 4.470 0.000 0.000 0.225 468 S C 1.903 176.493 174.600 -0.016 0.000 1.043 468 S CA 1.389 59.593 58.200 0.005 0.000 1.074 468 S CB -0.232 62.983 63.200 0.026 0.000 0.962 468 S HN 0.231 nan 8.310 nan 0.000 0.433 469 L N 0.756 122.000 121.223 0.035 0.000 2.179 469 L HA 0.124 4.464 4.340 0.000 0.000 0.208 469 L C 2.874 179.759 176.870 0.026 0.000 1.096 469 L CA 0.850 55.710 54.840 0.034 0.000 0.779 469 L CB -0.600 41.520 42.059 0.103 0.000 0.922 469 L HN 0.407 nan 8.230 nan 0.000 0.443 470 A N 0.145 122.982 122.820 0.028 0.000 2.019 470 A HA -0.226 4.094 4.320 0.000 0.000 0.219 470 A C 2.289 179.887 177.584 0.023 0.000 1.164 470 A CA 1.702 53.752 52.037 0.022 0.000 0.644 470 A CB -0.283 18.721 19.000 0.006 0.000 0.805 470 A HN 0.189 nan 8.150 nan 0.000 0.449 471 K N -0.108 120.297 120.400 0.008 0.000 2.062 471 K HA -0.007 4.313 4.320 0.000 0.000 0.205 471 K C 1.548 178.123 176.600 -0.043 0.000 1.051 471 K CA 1.033 57.319 56.287 -0.002 0.000 0.941 471 K CB -0.173 32.321 32.500 -0.009 0.000 0.719 471 K HN 0.221 nan 8.250 nan 0.000 0.440 472 R N 1.545 121.976 120.500 -0.115 0.000 2.386 472 R HA 0.123 4.464 4.340 0.000 0.000 0.216 472 R C -0.488 175.844 176.300 0.054 0.000 1.119 472 R CA 0.286 56.267 56.100 -0.198 0.000 1.158 472 R CB -0.807 29.031 30.300 -0.769 0.000 1.057 472 R HN 0.300 nan 8.270 nan 0.000 0.489 473 N N -0.790 117.941 118.700 0.051 0.000 2.756 473 N HA -0.156 4.584 4.740 0.000 0.000 0.248 473 N C -1.342 174.228 175.510 0.100 0.000 1.062 473 N CA 0.862 53.958 53.050 0.076 0.000 0.696 473 N CB -1.260 37.278 38.487 0.085 0.000 0.946 473 N HN -0.020 nan 8.380 nan 0.000 0.548 474 V N 1.181 121.148 119.914 0.088 0.000 2.384 474 V HA 0.384 4.504 4.120 0.000 0.000 0.287 474 V C 0.816 176.922 176.094 0.020 0.000 1.020 474 V CA -0.845 61.499 62.300 0.073 0.000 0.850 474 V CB 2.141 34.029 31.823 0.109 0.000 0.987 474 V HN 0.280 nan 8.190 nan 0.000 0.436 475 L N 5.933 127.154 121.223 -0.003 0.000 2.416 475 L HA 0.459 4.799 4.340 0.000 0.000 0.272 475 L C -0.504 176.336 176.870 -0.051 0.000 1.161 475 L CA 0.164 54.987 54.840 -0.028 0.000 0.845 475 L CB 1.106 43.150 42.059 -0.027 0.000 1.119 475 L HN 0.485 nan 8.230 nan 0.000 0.464 476 V N 6.557 126.430 119.914 -0.070 0.000 2.384 476 V HA 0.415 4.535 4.120 0.000 0.000 0.287 476 V C -0.001 176.041 176.094 -0.086 0.000 1.020 476 V CA -0.507 61.749 62.300 -0.074 0.000 0.850 476 V CB 1.387 33.165 31.823 -0.075 0.000 0.987 476 V HN 0.585 nan 8.190 nan 0.000 0.436 477 L N 4.152 125.346 121.223 -0.047 0.000 2.346 477 L HA 0.990 5.330 4.340 0.000 0.000 0.274 477 L C -0.005 176.907 176.870 0.069 0.000 1.007 477 L CA -0.586 54.246 54.840 -0.014 0.000 0.818 477 L CB 2.005 44.060 42.059 -0.008 0.000 1.284 477 L HN 0.743 nan 8.230 nan 0.000 0.424 478 A N 1.201 124.067 122.820 0.075 0.000 2.549 478 A HA 0.870 5.190 4.320 0.000 0.000 0.297 478 A C -0.530 177.048 177.584 -0.010 0.000 1.061 478 A CA -0.408 51.701 52.037 0.119 0.000 0.690 478 A CB 2.076 21.246 19.000 0.284 0.000 1.287 478 A HN 0.707 nan 8.150 nan 0.000 0.402 479 T N -1.465 113.059 114.554 -0.050 0.000 2.742 479 T HA 0.858 5.208 4.350 0.000 0.000 0.282 479 T C 0.971 175.531 174.700 -0.234 0.000 1.025 479 T CA 0.230 62.272 62.100 -0.098 0.000 1.020 479 T CB 0.797 69.679 68.868 0.024 0.000 1.317 479 T HN 2.606 nan 8.240 nan 0.000 0.538 480 G N -0.268 108.388 108.800 -0.239 0.000 2.602 480 G HA2 -0.306 3.654 3.960 0.000 0.000 0.306 480 G HA3 -0.306 3.654 3.960 0.000 0.000 0.306 480 G C 1.207 175.909 174.900 -0.331 0.000 1.301 480 G CA 0.408 45.371 45.100 -0.228 0.000 0.974 480 G HN 1.268 nan 8.290 nan 0.000 0.547 481 C N 1.032 120.303 119.300 -0.049 0.000 2.446 481 C HA 0.279 4.739 4.460 0.000 0.000 0.279 481 C C 3.473 178.322 174.990 -0.234 0.000 1.366 481 C CA 1.655 60.681 59.018 0.014 0.000 1.763 481 C CB -1.689 26.119 27.740 0.113 0.000 1.929 481 C HN 1.026 nan 8.230 nan 0.000 0.509 482 A N 1.080 123.624 122.820 -0.460 0.000 1.865 482 A HA -0.012 4.308 4.320 0.000 0.000 0.217 482 A C 2.414 179.397 177.584 -1.002 0.000 1.191 482 A CA 2.214 53.500 52.037 -1.251 0.000 0.623 482 A CB -1.089 17.313 19.000 -0.997 0.000 0.826 482 A HN 0.562 nan 8.150 nan 0.000 0.444 483 A N -0.624 121.854 122.820 -0.571 0.000 1.978 483 A HA 0.092 4.412 4.320 0.000 0.000 0.220 483 A C 2.392 179.731 177.584 -0.409 0.000 1.170 483 A CA 2.001 53.751 52.037 -0.478 0.000 0.636 483 A CB -1.387 17.126 19.000 -0.811 0.000 0.810 483 A HN 0.791 nan 8.150 nan 0.000 0.448 484 G N -0.468 108.161 108.800 -0.286 0.000 2.418 484 G HA2 -0.007 3.953 3.960 0.000 0.000 0.217 484 G HA3 -0.007 3.953 3.960 0.000 0.000 0.217 484 G C 1.747 176.604 174.900 -0.070 0.000 1.158 484 G CA 1.513 46.635 45.100 0.035 0.000 0.771 484 G HN 0.782 nan 8.290 nan 0.000 0.545 485 A N 0.959 123.631 122.820 -0.247 0.000 1.841 485 A HA 0.013 4.333 4.320 0.000 0.000 0.216 485 A C 2.202 179.673 177.584 -0.188 0.000 1.199 485 A CA 1.626 53.511 52.037 -0.252 0.000 0.621 485 A CB -0.863 17.893 19.000 -0.407 0.000 0.835 485 A HN 0.370 nan 8.150 nan 0.000 0.445 486 F N 0.281 120.138 119.950 -0.156 0.000 2.154 486 F HA -0.239 4.288 4.527 0.000 0.000 0.301 486 F C 2.815 178.575 175.800 -0.067 0.000 1.087 486 F CA 0.637 58.554 58.000 -0.138 0.000 1.274 486 F CB -0.351 38.529 39.000 -0.200 0.000 1.009 486 F HN 0.316 nan 8.300 nan 0.000 0.485 487 A N 0.728 123.617 122.820 0.116 0.000 1.851 487 A HA -0.240 4.080 4.320 0.000 0.000 0.216 487 A C 2.131 179.778 177.584 0.105 0.000 1.195 487 A CA 1.986 54.097 52.037 0.123 0.000 0.622 487 A CB -0.716 18.371 19.000 0.145 0.000 0.831 487 A HN 0.322 nan 8.150 nan 0.000 0.444 488 K N -0.183 120.265 120.400 0.080 0.000 2.097 488 K HA -0.040 4.280 4.320 0.000 0.000 0.206 488 K C 2.202 178.851 176.600 0.082 0.000 1.049 488 K CA 1.193 57.525 56.287 0.075 0.000 0.933 488 K CB -0.361 32.168 32.500 0.048 0.000 0.717 488 K HN 0.451 nan 8.250 nan 0.000 0.442 489 A N 0.368 123.233 122.820 0.075 0.000 1.972 489 A HA -0.005 4.316 4.320 0.000 0.000 0.219 489 A C 1.728 179.364 177.584 0.087 0.000 1.169 489 A CA 1.616 53.701 52.037 0.080 0.000 0.635 489 A CB -0.624 18.429 19.000 0.089 0.000 0.810 489 A HN 0.469 nan 8.150 nan 0.000 0.446 490 G N -2.022 106.834 108.800 0.094 0.000 2.144 490 G HA2 -0.182 3.778 3.960 0.000 0.000 0.218 490 G HA3 -0.182 3.778 3.960 0.000 0.000 0.218 490 G C 0.582 175.526 174.900 0.073 0.000 0.988 490 G CA 0.288 45.441 45.100 0.089 0.000 0.659 490 G HN 0.437 nan 8.290 nan 0.000 0.522 491 L N -0.122 121.134 121.223 0.055 0.000 2.558 491 L HA 0.318 4.658 4.340 0.000 0.000 0.225 491 L C 1.924 178.774 176.870 -0.034 0.000 1.128 491 L CA 0.401 55.230 54.840 -0.017 0.000 0.868 491 L CB -0.098 41.895 42.059 -0.110 0.000 1.006 491 L HN 0.325 nan 8.230 nan 0.000 0.454 492 M N 0.371 119.983 119.600 0.020 0.000 3.654 492 M HA 0.185 4.665 4.480 0.000 0.000 0.212 492 M C -0.508 175.819 176.300 0.044 0.000 1.354 492 M CA 0.320 55.629 55.300 0.014 0.000 1.564 492 M CB -0.081 32.568 32.600 0.080 0.000 1.056 492 M HN -0.073 nan 8.290 nan 0.000 0.608 493 T N -1.005 113.567 114.554 0.029 0.000 2.916 493 T HA 0.245 4.596 4.350 0.000 0.000 0.305 493 T C 0.974 175.698 174.700 0.040 0.000 1.119 493 T CA -0.595 61.536 62.100 0.051 0.000 1.008 493 T CB 1.964 70.872 68.868 0.066 0.000 1.129 493 T HN 0.512 nan 8.240 nan 0.000 0.480 494 S N 1.864 117.594 115.700 0.049 0.000 2.348 494 S HA -0.170 4.300 4.470 0.000 0.000 0.221 494 S C 1.847 176.470 174.600 0.038 0.000 1.033 494 S CA 1.366 59.592 58.200 0.042 0.000 1.010 494 S CB -0.401 62.828 63.200 0.049 0.000 0.891 494 S HN 0.872 nan 8.310 nan 0.000 0.442 495 E N 2.893 123.117 120.200 0.041 0.000 2.110 495 E HA -0.106 4.244 4.350 0.000 0.000 0.193 495 E C 2.222 178.853 176.600 0.052 0.000 0.988 495 E CA 1.134 57.554 56.400 0.034 0.000 0.804 495 E CB -0.801 28.916 29.700 0.029 0.000 0.745 495 E HN 0.588 nan 8.360 nan 0.000 0.458 496 A N 1.527 124.401 122.820 0.090 0.000 1.997 496 A HA -0.218 4.102 4.320 0.000 0.000 0.221 496 A C 2.410 180.105 177.584 0.186 0.000 1.172 496 A CA 2.402 54.545 52.037 0.177 0.000 0.645 496 A CB -1.134 17.941 19.000 0.125 0.000 0.813 496 A HN 0.369 nan 8.150 nan 0.000 0.454 497 T N -0.292 114.313 114.554 0.085 0.000 2.812 497 T HA -0.103 4.247 4.350 0.000 0.000 0.264 497 T C 2.180 176.904 174.700 0.040 0.000 1.042 497 T CA 2.010 64.146 62.100 0.060 0.000 1.140 497 T CB -0.622 68.259 68.868 0.021 0.000 0.870 497 T HN 0.847 nan 8.240 nan 0.000 0.445 498 T N 0.166 114.730 114.554 0.016 0.000 2.977 498 T HA -0.093 4.257 4.350 0.000 0.000 0.271 498 T C 1.760 176.422 174.700 -0.064 0.000 1.105 498 T CA 1.118 63.209 62.100 -0.015 0.000 1.116 498 T CB -0.196 68.663 68.868 -0.015 0.000 0.878 498 T HN 0.405 nan 8.240 nan 0.000 0.509 499 Q N -1.247 118.492 119.800 -0.101 0.000 2.352 499 Q HA 0.194 4.534 4.340 0.000 0.000 0.212 499 Q C 0.505 176.173 176.000 -0.553 0.000 0.888 499 Q CA 0.135 55.735 55.803 -0.340 0.000 0.934 499 Q CB 0.421 28.877 28.738 -0.471 0.000 1.093 499 Q HN 0.780 nan 8.270 nan 0.000 0.523 500 Y N -1.893 118.399 120.300 -0.014 0.000 2.459 500 Y HA 0.431 4.981 4.550 0.000 0.000 0.271 500 Y C 0.274 176.161 175.900 -0.021 0.000 1.063 500 Y CA -0.263 57.827 58.100 -0.017 0.000 1.216 500 Y CB 0.657 39.105 38.460 -0.019 0.000 1.335 500 Y HN 0.001 nan 8.280 nan 0.000 0.550 501 A N 1.904 124.795 122.820 0.119 0.000 2.476 501 A HA 0.459 4.779 4.320 0.000 0.000 0.275 501 A C 1.033 178.637 177.584 0.034 0.000 1.133 501 A CA 0.378 52.452 52.037 0.061 0.000 0.797 501 A CB -0.682 18.340 19.000 0.038 0.000 1.081 501 A HN 0.386 nan 8.150 nan 0.000 0.510 502 G N 2.542 111.360 108.800 0.030 0.000 2.321 502 G HA2 0.198 4.158 3.960 0.000 0.000 0.237 502 G HA3 0.198 4.158 3.960 0.000 0.000 0.237 502 G C 0.653 175.562 174.900 0.015 0.000 1.282 502 G CA 0.313 45.423 45.100 0.017 0.000 0.886 502 G HN 0.895 nan 8.290 nan 0.000 0.528 503 E N 1.787 121.993 120.200 0.009 0.000 2.160 503 E HA -0.337 4.013 4.350 0.000 0.000 0.237 503 E C 2.675 179.284 176.600 0.013 0.000 1.069 503 E CA 1.786 58.191 56.400 0.008 0.000 0.950 503 E CB -0.523 29.181 29.700 0.006 0.000 0.832 503 E HN 0.644 nan 8.360 nan 0.000 0.496 504 G N 1.919 110.730 108.800 0.018 0.000 2.679 504 G HA2 -0.341 3.619 3.960 0.000 0.000 0.222 504 G HA3 -0.341 3.619 3.960 0.000 0.000 0.222 504 G C 1.385 176.297 174.900 0.021 0.000 1.164 504 G CA 1.259 46.372 45.100 0.021 0.000 0.769 504 G HN 0.174 nan 8.290 nan 0.000 0.610 505 L N 1.050 122.288 121.223 0.024 0.000 1.973 505 L HA 0.009 4.349 4.340 0.000 0.000 0.208 505 L C 2.676 179.555 176.870 0.014 0.000 1.073 505 L CA 2.782 57.634 54.840 0.020 0.000 0.746 505 L CB -1.136 40.937 42.059 0.023 0.000 0.891 505 L HN 0.401 nan 8.230 nan 0.000 0.433 506 K N -0.515 119.894 120.400 0.014 0.000 2.207 506 K HA -0.220 4.100 4.320 0.000 0.000 0.208 506 K C 1.771 178.377 176.600 0.010 0.000 1.046 506 K CA 1.682 57.976 56.287 0.012 0.000 0.929 506 K CB -0.373 32.132 32.500 0.009 0.000 0.720 506 K HN 0.565 nan 8.250 nan 0.000 0.463 507 G N 0.796 109.603 108.800 0.011 0.000 2.575 507 G HA2 -0.285 3.675 3.960 0.000 0.000 0.215 507 G HA3 -0.285 3.675 3.960 0.000 0.000 0.215 507 G C 1.397 176.305 174.900 0.012 0.000 1.262 507 G CA 0.925 46.032 45.100 0.011 0.000 0.807 507 G HN 0.288 nan 8.290 nan 0.000 0.567 508 V N 0.708 120.630 119.914 0.013 0.000 2.380 508 V HA -0.131 3.989 4.120 0.000 0.000 0.251 508 V C 2.590 178.694 176.094 0.016 0.000 1.063 508 V CA 1.820 64.129 62.300 0.015 0.000 1.055 508 V CB -0.356 31.475 31.823 0.014 0.000 0.657 508 V HN 0.279 nan 8.190 nan 0.000 0.455 509 L N 1.084 122.315 121.223 0.013 0.000 2.043 509 L HA -0.138 4.202 4.340 0.000 0.000 0.212 509 L C 2.808 179.689 176.870 0.018 0.000 1.075 509 L CA 2.908 57.754 54.840 0.010 0.000 0.752 509 L CB -1.264 40.795 42.059 0.002 0.000 0.891 509 L HN 0.761 nan 8.230 nan 0.000 0.432 510 S N -1.074 114.637 115.700 0.017 0.000 2.414 510 S HA 0.001 4.471 4.470 0.000 0.000 0.227 510 S C 2.131 176.745 174.600 0.024 0.000 1.022 510 S CA 0.628 58.841 58.200 0.021 0.000 0.958 510 S CB -0.287 62.922 63.200 0.016 0.000 0.797 510 S HN 0.374 nan 8.310 nan 0.000 0.493 511 A N 2.894 125.727 122.820 0.021 0.000 1.841 511 A HA 0.011 4.331 4.320 0.000 0.000 0.216 511 A C 2.200 179.801 177.584 0.028 0.000 1.199 511 A CA 1.684 53.733 52.037 0.021 0.000 0.621 511 A CB -1.069 17.942 19.000 0.019 0.000 0.835 511 A HN 0.534 nan 8.150 nan 0.000 0.445 512 I N -0.173 120.417 120.570 0.033 0.000 2.151 512 I HA -0.255 3.915 4.170 0.000 0.000 0.243 512 I C 2.744 178.894 176.117 0.054 0.000 1.080 512 I CA 1.309 62.635 61.300 0.044 0.000 1.339 512 I CB -1.014 37.018 38.000 0.052 0.000 1.039 512 I HN 0.412 nan 8.210 nan 0.000 0.409 513 G N 0.553 109.389 108.800 0.059 0.000 2.476 513 G HA2 -0.263 3.697 3.960 0.000 0.000 0.218 513 G HA3 -0.263 3.697 3.960 0.000 0.000 0.218 513 G C 1.653 176.586 174.900 0.054 0.000 1.164 513 G CA 1.676 46.818 45.100 0.071 0.000 0.768 513 G HN 0.351 nan 8.290 nan 0.000 0.560 514 T N 1.779 116.357 114.554 0.039 0.000 2.737 514 T HA 0.059 4.409 4.350 0.000 0.000 0.265 514 T C 2.741 177.457 174.700 0.027 0.000 1.038 514 T CA 1.334 63.453 62.100 0.030 0.000 1.144 514 T CB -0.445 68.437 68.868 0.023 0.000 0.866 514 T HN 0.386 nan 8.240 nan 0.000 0.434 515 A N 1.197 124.034 122.820 0.027 0.000 2.194 515 A HA 0.367 4.687 4.320 0.000 0.000 0.220 515 A C 1.236 178.834 177.584 0.022 0.000 1.162 515 A CA 1.145 53.196 52.037 0.023 0.000 0.674 515 A CB -0.640 18.374 19.000 0.023 0.000 0.789 515 A HN 0.591 nan 8.150 nan 0.000 0.470 516 A N -2.043 120.794 122.820 0.029 0.000 2.387 516 A HA 0.601 4.921 4.320 0.000 0.000 0.303 516 A C 0.921 178.519 177.584 0.024 0.000 1.145 516 A CA -0.077 51.974 52.037 0.025 0.000 0.801 516 A CB 0.401 19.421 19.000 0.033 0.000 1.342 516 A HN 0.774 nan 8.150 nan 0.000 0.440 517 G N 0.123 108.932 108.800 0.015 0.000 3.324 517 G HA2 0.434 4.394 3.960 0.000 0.000 0.232 517 G HA3 0.434 4.394 3.960 0.000 0.000 0.232 517 G C -0.415 174.499 174.900 0.024 0.000 1.213 517 G CA 0.321 45.430 45.100 0.014 0.000 1.637 517 G HN 0.266 nan 8.290 nan 0.000 0.572 518 L N 0.533 121.778 121.223 0.037 0.000 2.404 518 L HA 0.397 4.737 4.340 0.000 0.000 0.272 518 L C 0.817 177.712 176.870 0.042 0.000 0.980 518 L CA -1.340 53.528 54.840 0.047 0.000 0.836 518 L CB 0.958 43.062 42.059 0.075 0.000 1.238 518 L HN 0.127 nan 8.230 nan 0.000 0.408 519 G N 1.941 110.762 108.800 0.035 0.000 2.577 519 G HA2 0.395 4.355 3.960 0.000 0.000 0.290 519 G HA3 0.395 4.355 3.960 0.000 0.000 0.290 519 G C 0.738 175.656 174.900 0.031 0.000 0.703 519 G CA 1.013 46.130 45.100 0.029 0.000 2.032 519 G HN 1.114 nan 8.290 nan 0.000 0.508 520 G N 2.618 111.437 108.800 0.031 0.000 2.280 520 G HA2 0.142 4.102 3.960 0.000 0.000 0.277 520 G HA3 0.142 4.102 3.960 0.000 0.000 0.277 520 G C -3.237 171.685 174.900 0.037 0.000 1.288 520 G CA -0.289 44.829 45.100 0.030 0.000 1.075 520 G HN 0.516 nan 8.290 nan 0.000 0.480 521 P HA 0.602 nan 4.420 nan 0.000 0.283 521 P C 0.236 177.562 177.300 0.043 0.000 1.271 521 P CA -0.607 62.514 63.100 0.035 0.000 0.841 521 P CB 1.216 32.929 31.700 0.022 0.000 1.122 522 L N 1.233 122.480 121.223 0.039 0.000 2.479 522 L HA 0.153 4.493 4.340 0.000 0.000 0.270 522 L C -1.887 174.955 176.870 -0.048 0.000 1.236 522 L CA -1.516 53.336 54.840 0.020 0.000 0.823 522 L CB -0.804 41.250 42.059 -0.009 0.000 1.098 522 L HN 0.250 nan 8.230 nan 0.000 0.500 523 P HA -0.055 nan 4.420 nan 0.000 0.271 523 P C 0.610 177.821 177.300 -0.148 0.000 1.216 523 P CA -0.313 62.712 63.100 -0.126 0.000 0.776 523 P CB 0.548 32.142 31.700 -0.177 0.000 0.881 524 L N 3.716 124.883 121.223 -0.093 0.000 2.137 524 L HA -0.087 4.253 4.340 0.000 0.000 0.213 524 L C -0.017 176.743 176.870 -0.184 0.000 1.085 524 L CA 2.254 57.035 54.840 -0.098 0.000 0.760 524 L CB -0.139 41.884 42.059 -0.059 0.000 0.893 524 L HN 0.068 nan 8.230 nan 0.000 0.434 525 V N 0.922 120.693 119.914 -0.237 0.000 2.483 525 V HA 0.305 4.425 4.120 0.000 0.000 0.297 525 V C 0.103 176.035 176.094 -0.271 0.000 1.027 525 V CA -0.464 61.652 62.300 -0.307 0.000 0.855 525 V CB 1.727 33.242 31.823 -0.512 0.000 0.995 525 V HN 0.092 nan 8.190 nan 0.000 0.424 526 M N 4.478 123.912 119.600 -0.277 0.000 2.080 526 M HA 0.396 4.876 4.480 0.000 0.000 0.350 526 M C -0.234 176.025 176.300 -0.068 0.000 1.173 526 M CA -0.544 54.531 55.300 -0.375 0.000 1.052 526 M CB 0.639 32.965 32.600 -0.458 0.000 1.577 526 M HN 0.646 nan 8.290 nan 0.000 0.455 527 H N 5.213 124.255 119.070 -0.047 0.000 3.086 527 H HA 0.176 4.732 4.556 0.000 0.000 0.265 527 H C 0.076 175.490 175.328 0.143 0.000 1.092 527 H CA 0.566 56.661 56.048 0.078 0.000 1.487 527 H CB 0.605 30.443 29.762 0.128 0.000 1.514 527 H HN 0.766 nan 8.280 nan 0.000 0.497 528 M N 3.625 123.454 119.600 0.381 0.000 2.431 528 M HA 0.176 4.656 4.480 0.000 0.000 0.237 528 M C 0.937 177.374 176.300 0.229 0.000 1.130 528 M CA 0.520 55.977 55.300 0.262 0.000 1.002 528 M CB 0.516 33.216 32.600 0.168 0.000 1.524 528 M HN 0.826 nan 8.290 nan 0.000 0.482 529 G N 0.400 109.414 108.800 0.357 0.000 2.352 529 G HA2 -0.163 3.797 3.960 0.000 0.000 0.324 529 G HA3 -0.163 3.797 3.960 0.000 0.000 0.324 529 G C -0.376 174.644 174.900 0.200 0.000 1.249 529 G CA -0.405 44.818 45.100 0.204 0.000 1.053 529 G HN 0.395 nan 8.290 nan 0.000 0.492 530 S N -1.129 114.667 115.700 0.161 0.000 2.633 530 S HA 0.364 4.834 4.470 0.000 0.000 0.257 530 S C 1.799 176.480 174.600 0.137 0.000 1.265 530 S CA 0.517 58.811 58.200 0.156 0.000 0.980 530 S CB 0.554 63.865 63.200 0.184 0.000 1.017 530 S HN 1.459 nan 8.310 nan 0.000 0.577 531 C N 0.492 119.909 119.300 0.195 0.000 2.413 531 C HA -0.099 4.361 4.460 0.000 0.000 0.277 531 C C 2.954 178.014 174.990 0.116 0.000 1.228 531 C CA 0.892 60.043 59.018 0.222 0.000 1.731 531 C CB -1.957 26.053 27.740 0.450 0.000 2.042 531 C HN 0.810 nan 8.230 nan 0.000 0.468 532 V N 0.330 120.277 119.914 0.055 0.000 2.469 532 V HA -0.177 3.943 4.120 0.000 0.000 0.251 532 V C 1.375 177.448 176.094 -0.035 0.000 1.064 532 V CA 2.453 64.681 62.300 -0.119 0.000 1.066 532 V CB -1.030 30.726 31.823 -0.112 0.000 0.667 532 V HN 0.377 nan 8.190 nan 0.000 0.461 533 D N 0.990 121.415 120.400 0.041 0.000 2.379 533 D HA -0.050 4.590 4.640 0.000 0.000 0.243 533 D C 1.635 177.981 176.300 0.077 0.000 1.088 533 D CA 0.451 54.482 54.000 0.051 0.000 0.925 533 D CB -0.637 40.213 40.800 0.084 0.000 0.888 533 D HN 0.504 nan 8.370 nan 0.000 0.529 534 N N -0.308 118.457 118.700 0.108 0.000 2.512 534 N HA -0.077 4.663 4.740 0.000 0.000 0.183 534 N C 1.506 177.117 175.510 0.169 0.000 1.073 534 N CA 0.330 53.493 53.050 0.189 0.000 0.911 534 N CB 0.225 38.909 38.487 0.328 0.000 0.964 534 N HN 0.188 nan 8.380 nan 0.000 0.447 535 S N 0.194 115.920 115.700 0.042 0.000 2.453 535 S HA 0.081 4.551 4.470 0.000 0.000 0.231 535 S C 1.796 176.395 174.600 -0.002 0.000 1.005 535 S CA 0.167 58.334 58.200 -0.055 0.000 0.949 535 S CB 0.076 63.187 63.200 -0.148 0.000 0.774 535 S HN 0.163 nan 8.310 nan 0.000 0.510 536 R N 1.703 122.221 120.500 0.031 0.000 2.096 536 R HA 0.073 4.413 4.340 0.000 0.000 0.235 536 R C 2.552 178.885 176.300 0.056 0.000 1.127 536 R CA 1.421 57.548 56.100 0.046 0.000 0.968 536 R CB -1.053 29.288 30.300 0.067 0.000 0.861 536 R HN 0.596 nan 8.270 nan 0.000 0.440 537 A N 0.488 123.351 122.820 0.072 0.000 1.930 537 A HA -0.048 4.272 4.320 0.000 0.000 0.215 537 A C 2.411 180.032 177.584 0.062 0.000 1.176 537 A CA 0.963 53.043 52.037 0.072 0.000 0.632 537 A CB -0.349 18.703 19.000 0.087 0.000 0.819 537 A HN 0.087 nan 8.150 nan 0.000 0.445 538 V N 0.133 120.085 119.914 0.063 0.000 2.407 538 V HA -0.252 3.868 4.120 0.000 0.000 0.248 538 V C 3.001 179.101 176.094 0.010 0.000 1.055 538 V CA 1.852 64.172 62.300 0.033 0.000 1.049 538 V CB -1.317 30.481 31.823 -0.043 0.000 0.662 538 V HN 0.598 nan 8.190 nan 0.000 0.455 539 A N -0.276 122.550 122.820 0.010 0.000 1.858 539 A HA -0.175 4.146 4.320 0.000 0.000 0.216 539 A C 2.291 179.887 177.584 0.020 0.000 1.190 539 A CA 1.956 54.001 52.037 0.014 0.000 0.617 539 A CB -0.639 18.375 19.000 0.023 0.000 0.827 539 A HN 0.448 nan 8.150 nan 0.000 0.443 540 L N -0.729 120.512 121.223 0.029 0.000 2.012 540 L HA -0.243 4.097 4.340 0.000 0.000 0.210 540 L C 3.001 179.883 176.870 0.021 0.000 1.073 540 L CA 1.476 56.333 54.840 0.029 0.000 0.748 540 L CB -0.466 41.616 42.059 0.038 0.000 0.891 540 L HN 0.468 nan 8.230 nan 0.000 0.431 541 A N -0.258 122.574 122.820 0.020 0.000 1.865 541 A HA -0.278 4.042 4.320 0.000 0.000 0.217 541 A C 2.310 179.899 177.584 0.009 0.000 1.191 541 A CA 2.634 54.679 52.037 0.014 0.000 0.623 541 A CB -1.221 17.790 19.000 0.019 0.000 0.826 541 A HN 0.601 nan 8.150 nan 0.000 0.444 542 T N -1.913 112.645 114.554 0.008 0.000 2.833 542 T HA 0.066 4.416 4.350 0.000 0.000 0.269 542 T C 1.889 176.591 174.700 0.003 0.000 1.054 542 T CA 1.692 63.794 62.100 0.002 0.000 1.135 542 T CB -0.574 68.292 68.868 -0.003 0.000 0.869 542 T HN 0.597 nan 8.240 nan 0.000 0.466 543 A N 1.794 124.618 122.820 0.007 0.000 1.855 543 A HA 0.166 4.486 4.320 0.000 0.000 0.215 543 A C 2.393 179.980 177.584 0.006 0.000 1.191 543 A CA 1.404 53.445 52.037 0.007 0.000 0.613 543 A CB -1.063 17.944 19.000 0.012 0.000 0.829 543 A HN 0.527 nan 8.150 nan 0.000 0.442 544 L N -0.621 120.606 121.223 0.007 0.000 2.042 544 L HA -0.197 4.143 4.340 0.000 0.000 0.210 544 L C 2.794 179.665 176.870 0.002 0.000 1.076 544 L CA 1.693 56.536 54.840 0.005 0.000 0.749 544 L CB -0.437 41.625 42.059 0.005 0.000 0.893 544 L HN 0.414 nan 8.230 nan 0.000 0.432 545 A N 0.176 122.996 122.820 0.001 0.000 1.908 545 A HA -0.248 4.072 4.320 0.000 0.000 0.218 545 A C 1.928 179.511 177.584 -0.002 0.000 1.181 545 A CA 2.021 54.058 52.037 -0.001 0.000 0.627 545 A CB -0.705 18.294 19.000 -0.001 0.000 0.818 545 A HN 0.608 nan 8.150 nan 0.000 0.445 546 N N -0.289 118.410 118.700 -0.001 0.000 2.188 546 N HA -0.134 4.606 4.740 0.000 0.000 0.184 546 N C 1.654 177.163 175.510 -0.002 0.000 1.018 546 N CA 1.558 54.607 53.050 -0.003 0.000 0.858 546 N CB -0.312 38.173 38.487 -0.003 0.000 0.989 546 N HN 0.461 nan 8.380 nan 0.000 0.426 547 K N 1.500 121.900 120.400 -0.000 0.000 2.032 547 K HA 0.025 4.346 4.320 0.000 0.000 0.209 547 K C 1.644 178.244 176.600 -0.001 0.000 1.048 547 K CA 0.999 57.286 56.287 0.000 0.000 0.927 547 K CB -0.368 32.133 32.500 0.002 0.000 0.712 547 K HN 0.159 nan 8.250 nan 0.000 0.441 548 L N -0.417 120.805 121.223 -0.001 0.000 2.599 548 L HA 0.168 4.508 4.340 0.000 0.000 0.230 548 L C 0.937 177.806 176.870 -0.002 0.000 1.141 548 L CA 0.333 55.172 54.840 -0.002 0.000 0.877 548 L CB -0.577 41.481 42.059 -0.003 0.000 1.009 548 L HN 0.521 nan 8.230 nan 0.000 0.447 549 G N 0.968 109.766 108.800 -0.002 0.000 2.305 549 G HA2 -0.258 3.703 3.960 0.000 0.000 0.287 549 G HA3 -0.258 3.703 3.960 0.000 0.000 0.287 549 G C -0.100 174.798 174.900 -0.003 0.000 1.036 549 G CA 0.689 45.787 45.100 -0.003 0.000 0.887 549 G HN 0.253 nan 8.290 nan 0.000 0.505 550 V N -1.333 118.580 119.914 -0.003 0.000 3.145 550 V HA 0.860 4.980 4.120 0.000 0.000 0.311 550 V C -0.678 175.414 176.094 -0.003 0.000 1.238 550 V CA -0.427 61.872 62.300 -0.003 0.000 1.066 550 V CB 2.145 33.967 31.823 -0.003 0.000 1.144 550 V HN 0.276 nan 8.190 nan 0.000 0.465 551 D N -0.469 119.930 120.400 -0.002 0.000 2.340 551 D HA 0.389 5.029 4.640 0.000 0.000 0.243 551 D C 0.767 177.066 176.300 -0.001 0.000 0.988 551 D CA -0.336 53.663 54.000 -0.001 0.000 0.959 551 D CB 1.945 42.745 40.800 0.001 0.000 1.226 551 D HN 0.287 nan 8.370 nan 0.000 0.509 552 L N 1.086 122.309 121.223 -0.000 0.000 2.131 552 L HA -0.125 4.215 4.340 0.000 0.000 0.210 552 L C 2.211 179.077 176.870 -0.006 0.000 1.092 552 L CA 1.501 56.339 54.840 -0.002 0.000 0.759 552 L CB -0.829 41.233 42.059 0.004 0.000 0.903 552 L HN 0.421 nan 8.230 nan 0.000 0.435 553 S N -1.690 114.009 115.700 -0.001 0.000 2.595 553 S HA -0.091 4.379 4.470 0.000 0.000 0.235 553 S C 1.064 175.668 174.600 0.007 0.000 0.974 553 S CA 0.965 59.168 58.200 0.004 0.000 0.942 553 S CB -0.392 62.816 63.200 0.014 0.000 0.766 553 S HN 0.495 nan 8.310 nan 0.000 0.536 554 D N 0.437 120.837 120.400 -0.000 0.000 2.469 554 D HA 0.272 4.912 4.640 0.000 0.000 0.240 554 D C 0.514 176.808 176.300 -0.010 0.000 1.087 554 D CA -0.050 53.948 54.000 -0.002 0.000 0.876 554 D CB 0.213 41.012 40.800 -0.002 0.000 1.160 554 D HN 0.373 nan 8.370 nan 0.000 0.497 555 L N 2.894 124.109 121.223 -0.014 0.000 2.452 555 L HA 0.154 4.494 4.340 0.000 0.000 0.267 555 L C -1.752 175.099 176.870 -0.032 0.000 1.188 555 L CA -1.268 53.560 54.840 -0.021 0.000 0.821 555 L CB 0.288 42.336 42.059 -0.018 0.000 1.102 555 L HN -0.221 nan 8.230 nan 0.000 0.470 556 P HA 0.092 nan 4.420 nan 0.000 0.218 556 P C -0.718 176.545 177.300 -0.062 0.000 1.793 556 P CA -0.153 62.912 63.100 -0.058 0.000 0.941 556 P CB 0.163 31.823 31.700 -0.067 0.000 1.919 557 L N 1.573 122.761 121.223 -0.058 0.000 2.282 557 L HA 0.567 4.907 4.340 0.000 0.000 0.288 557 L C -0.848 175.968 176.870 -0.091 0.000 1.033 557 L CA -0.614 54.187 54.840 -0.065 0.000 0.807 557 L CB 1.862 43.894 42.059 -0.046 0.000 1.209 557 L HN -0.108 nan 8.230 nan 0.000 0.423 558 V N 5.017 124.864 119.914 -0.112 0.000 2.789 558 V HA 0.926 5.046 4.120 0.000 0.000 0.311 558 V C -0.623 175.370 176.094 -0.167 0.000 1.073 558 V CA -0.088 62.127 62.300 -0.142 0.000 0.921 558 V CB 1.985 33.730 31.823 -0.130 0.000 1.009 558 V HN 1.077 nan 8.190 nan 0.000 0.426 559 A N 4.012 126.731 122.820 -0.168 0.000 2.324 559 A HA 0.906 5.226 4.320 0.000 0.000 0.330 559 A C -0.336 177.191 177.584 -0.095 0.000 1.165 559 A CA -0.175 51.766 52.037 -0.159 0.000 0.813 559 A CB 1.694 20.593 19.000 -0.167 0.000 1.197 559 A HN 1.355 nan 8.150 nan 0.000 0.484 560 S N 0.703 116.366 115.700 -0.062 0.000 2.619 560 S HA 0.630 5.100 4.470 0.000 0.000 0.280 560 S C -0.721 174.048 174.600 0.282 0.000 1.150 560 S CA 0.209 58.513 58.200 0.175 0.000 0.978 560 S CB 1.278 64.605 63.200 0.211 0.000 1.041 560 S HN 1.934 nan 8.310 nan 0.000 0.485 561 A N 6.593 129.519 122.820 0.177 0.000 3.064 561 A HA 0.614 4.935 4.320 0.000 0.000 0.339 561 A C -2.141 175.483 177.584 0.067 0.000 1.078 561 A CA -1.519 50.613 52.037 0.159 0.000 0.869 561 A CB 0.183 19.202 19.000 0.032 0.000 1.067 561 A HN 0.630 nan 8.150 nan 0.000 0.480 562 P HA -0.201 nan 4.420 nan 0.000 0.216 562 P C 0.505 177.697 177.300 -0.180 0.000 1.157 562 P CA 1.589 64.722 63.100 0.055 0.000 0.880 562 P CB 0.280 31.982 31.700 0.003 0.000 0.791 563 E N -1.605 118.428 120.200 -0.278 0.000 2.989 563 E HA 0.127 4.477 4.350 0.000 0.000 0.207 563 E C -0.027 176.513 176.600 -0.100 0.000 0.989 563 E CA -0.426 55.823 56.400 -0.252 0.000 1.186 563 E CB -0.369 29.068 29.700 -0.437 0.000 1.141 563 E HN 0.288 nan 8.360 nan 0.000 0.454 564 C N -0.082 119.184 119.300 -0.056 0.000 2.702 564 C HA 0.275 4.735 4.460 0.000 0.000 0.411 564 C C 1.270 176.209 174.990 -0.084 0.000 1.286 564 C CA -0.288 58.701 59.018 -0.047 0.000 1.979 564 C CB 0.636 28.345 27.740 -0.051 0.000 2.728 564 C HN 0.554 nan 8.230 nan 0.000 0.652 565 M N 1.958 121.497 119.600 -0.101 0.000 1.793 565 M HA 0.150 4.630 4.480 0.000 0.000 0.222 565 M C 0.687 176.909 176.300 -0.130 0.000 1.202 565 M CA 0.663 55.892 55.300 -0.119 0.000 0.959 565 M CB -0.667 31.846 32.600 -0.145 0.000 1.726 565 M HN 0.947 nan 8.290 nan 0.000 0.618 566 S N 0.915 116.520 115.700 -0.158 0.000 2.624 566 S HA 0.270 4.740 4.470 0.000 0.000 0.263 566 S C 0.682 175.206 174.600 -0.127 0.000 1.287 566 S CA -0.205 57.900 58.200 -0.158 0.000 0.990 566 S CB 1.041 64.124 63.200 -0.195 0.000 0.950 566 S HN 0.408 nan 8.310 nan 0.000 0.561 567 E N 0.542 120.664 120.200 -0.130 0.000 2.150 567 E HA -0.096 4.255 4.350 0.000 0.000 0.193 567 E C 1.887 178.415 176.600 -0.120 0.000 0.985 567 E CA 0.824 57.153 56.400 -0.118 0.000 0.814 567 E CB -0.094 29.536 29.700 -0.117 0.000 0.752 567 E HN 0.599 nan 8.360 nan 0.000 0.466 568 K N 0.612 120.913 120.400 -0.166 0.000 2.026 568 K HA -0.118 4.202 4.320 0.000 0.000 0.208 568 K C 2.253 178.810 176.600 -0.072 0.000 1.048 568 K CA 1.097 57.260 56.287 -0.207 0.000 0.929 568 K CB -0.158 32.100 32.500 -0.403 0.000 0.713 568 K HN 0.042 nan 8.250 nan 0.000 0.439 569 A N 1.302 124.080 122.820 -0.070 0.000 1.908 569 A HA -0.184 4.136 4.320 0.000 0.000 0.218 569 A C 2.054 179.598 177.584 -0.066 0.000 1.181 569 A CA 1.305 53.314 52.037 -0.048 0.000 0.627 569 A CB -0.548 18.418 19.000 -0.056 0.000 0.818 569 A HN 0.201 nan 8.150 nan 0.000 0.445 570 L N -0.675 120.506 121.223 -0.070 0.000 2.191 570 L HA -0.062 4.278 4.340 0.000 0.000 0.212 570 L C 2.704 179.554 176.870 -0.034 0.000 1.103 570 L CA 1.732 56.535 54.840 -0.062 0.000 0.769 570 L CB -0.659 41.350 42.059 -0.082 0.000 0.908 570 L HN 0.390 nan 8.230 nan 0.000 0.438 571 A N -0.577 122.226 122.820 -0.029 0.000 1.854 571 A HA -0.115 4.205 4.320 0.000 0.000 0.214 571 A C 2.240 179.734 177.584 -0.149 0.000 1.192 571 A CA 1.540 53.591 52.037 0.022 0.000 0.611 571 A CB -0.670 18.399 19.000 0.114 0.000 0.832 571 A HN 0.352 nan 8.150 nan 0.000 0.442 572 I N 0.028 120.450 120.570 -0.246 0.000 2.113 572 I HA -0.307 3.863 4.170 0.000 0.000 0.242 572 I C 2.707 178.207 176.117 -1.027 0.000 1.064 572 I CA 1.443 62.231 61.300 -0.853 0.000 1.320 572 I CB -0.749 37.027 38.000 -0.373 0.000 1.028 572 I HN 0.424 nan 8.210 nan 0.000 0.406 573 G N -0.231 108.317 108.800 -0.421 0.000 2.440 573 G HA2 -0.242 3.718 3.960 0.000 0.000 0.218 573 G HA3 -0.242 3.718 3.960 0.000 0.000 0.218 573 G C 1.752 176.539 174.900 -0.188 0.000 1.154 573 G CA 1.052 46.015 45.100 -0.227 0.000 0.767 573 G HN 0.380 nan 8.290 nan 0.000 0.552 574 S N 0.217 115.915 115.700 -0.003 0.000 2.368 574 S HA -0.102 4.368 4.470 0.000 0.000 0.225 574 S C 1.986 176.603 174.600 0.029 0.000 1.030 574 S CA 1.467 59.735 58.200 0.114 0.000 0.999 574 S CB -0.420 62.890 63.200 0.183 0.000 0.844 574 S HN 0.849 nan 8.310 nan 0.000 0.459 575 W N 1.607 122.916 121.300 0.015 0.000 2.518 575 W HA 0.257 4.917 4.660 0.000 0.000 0.273 575 W C 2.062 178.544 176.519 -0.061 0.000 1.247 575 W CA 0.436 57.770 57.345 -0.019 0.000 1.288 575 W CB -0.708 28.746 29.460 -0.009 0.000 1.107 575 W HN 0.256 nan 8.180 nan 0.000 0.586 576 A N 1.910 124.628 122.820 -0.169 0.000 1.908 576 A HA -0.133 4.187 4.320 0.000 0.000 0.218 576 A C 2.228 179.744 177.584 -0.114 0.000 1.181 576 A CA 2.505 54.453 52.037 -0.148 0.000 0.627 576 A CB -1.038 17.692 19.000 -0.450 0.000 0.818 576 A HN 0.156 nan 8.150 nan 0.000 0.445 577 V N -0.420 119.339 119.914 -0.258 0.000 2.427 577 V HA -0.172 3.948 4.120 0.000 0.000 0.248 577 V C 2.642 178.672 176.094 -0.105 0.000 1.051 577 V CA 2.328 64.444 62.300 -0.306 0.000 1.048 577 V CB -0.936 30.531 31.823 -0.594 0.000 0.666 577 V HN 0.619 nan 8.190 nan 0.000 0.456 578 T N -0.256 114.296 114.554 -0.002 0.000 2.985 578 T HA 0.053 4.403 4.350 0.000 0.000 0.266 578 T C 1.821 176.556 174.700 0.058 0.000 1.076 578 T CA 0.946 63.075 62.100 0.049 0.000 1.135 578 T CB -0.110 68.813 68.868 0.093 0.000 0.890 578 T HN 0.304 nan 8.240 nan 0.000 0.480 579 I N 0.482 121.111 120.570 0.098 0.000 2.394 579 I HA -0.034 4.136 4.170 0.000 0.000 0.251 579 I C 2.109 178.247 176.117 0.035 0.000 1.136 579 I CA 1.322 62.671 61.300 0.083 0.000 1.425 579 I CB -0.064 38.029 38.000 0.155 0.000 1.079 579 I HN 0.528 nan 8.210 nan 0.000 0.425 580 G N -0.122 108.683 108.800 0.007 0.000 2.425 580 G HA2 -0.109 3.852 3.960 0.000 0.000 0.177 580 G HA3 -0.109 3.852 3.960 0.000 0.000 0.177 580 G C 0.233 175.100 174.900 -0.056 0.000 0.999 580 G CA -0.605 44.487 45.100 -0.013 0.000 0.723 580 G HN 0.115 nan 8.290 nan 0.000 0.491 581 L N 1.230 122.399 121.223 -0.090 0.000 2.397 581 L HA 0.422 4.763 4.340 0.000 0.000 0.271 581 L C -2.316 174.368 176.870 -0.309 0.000 1.148 581 L CA -1.801 52.945 54.840 -0.157 0.000 0.825 581 L CB 0.743 42.722 42.059 -0.132 0.000 1.117 581 L HN -0.129 nan 8.230 nan 0.000 0.456 582 P HA 0.159 nan 4.420 nan 0.000 0.287 582 P C -0.948 176.062 177.300 -0.484 0.000 1.307 582 P CA -0.081 62.562 63.100 -0.761 0.000 0.777 582 P CB 0.983 32.248 31.700 -0.725 0.000 0.883 583 T N 3.423 117.683 114.554 -0.490 0.000 2.794 583 T HA 0.253 4.603 4.350 0.000 0.000 0.280 583 T C -0.522 174.153 174.700 -0.041 0.000 0.987 583 T CA -0.371 61.560 62.100 -0.281 0.000 0.993 583 T CB 0.428 69.046 68.868 -0.417 0.000 0.939 583 T HN 0.410 nan 8.240 nan 0.000 0.449 584 H N 2.675 121.724 119.070 -0.034 0.000 2.459 584 H HA 0.595 5.151 4.556 0.000 0.000 0.332 584 H C -0.984 174.410 175.328 0.111 0.000 1.094 584 H CA -0.795 55.291 56.048 0.063 0.000 1.224 584 H CB 1.139 30.931 29.762 0.049 0.000 1.449 584 H HN 0.473 nan 8.280 nan 0.000 0.484 585 V N 2.445 122.103 119.914 -0.427 0.000 2.487 585 V HA 0.507 4.627 4.120 0.000 0.000 0.298 585 V C 0.730 176.503 176.094 -0.534 0.000 1.028 585 V CA -0.380 61.678 62.300 -0.403 0.000 0.860 585 V CB 1.406 33.146 31.823 -0.139 0.000 0.991 585 V HN 0.880 nan 8.190 nan 0.000 0.427 586 G N 1.826 110.362 108.800 -0.439 0.000 3.707 586 G HA2 0.308 4.268 3.960 0.000 0.000 0.286 586 G HA3 0.308 4.268 3.960 0.000 0.000 0.286 586 G C 0.569 175.412 174.900 -0.095 0.000 1.112 586 G CA 0.532 45.530 45.100 -0.169 0.000 0.861 586 G HN 0.706 nan 8.290 nan 0.000 0.534 587 S N -0.685 114.949 115.700 -0.109 0.000 2.593 587 S HA 0.224 4.694 4.470 0.000 0.000 0.235 587 S C 0.389 174.950 174.600 -0.065 0.000 1.059 587 S CA 0.198 58.349 58.200 -0.081 0.000 0.953 587 S CB 0.896 64.041 63.200 -0.091 0.000 0.897 587 S HN 0.506 nan 8.310 nan 0.000 0.507 588 V N 2.190 122.057 119.914 -0.078 0.000 3.765 588 V HA -0.109 4.011 4.120 0.000 0.000 0.447 588 V C -2.834 173.215 176.094 -0.075 0.000 0.680 588 V CA -0.678 61.581 62.300 -0.068 0.000 1.894 588 V CB -1.957 29.845 31.823 -0.035 0.000 2.321 588 V HN 0.244 nan 8.190 nan 0.000 0.492 589 P HA 0.349 nan 4.420 nan 0.000 0.274 589 P C -2.324 174.942 177.300 -0.056 0.000 1.246 589 P CA -1.452 61.591 63.100 -0.096 0.000 0.795 589 P CB 0.326 31.923 31.700 -0.171 0.000 1.006 590 P HA -0.027 nan 4.420 nan 0.000 0.232 590 P C 0.072 177.368 177.300 -0.006 0.000 1.606 590 P CA 0.742 63.844 63.100 0.004 0.000 1.105 590 P CB -0.406 31.327 31.700 0.054 0.000 1.919 591 V N 1.415 121.309 119.914 -0.032 0.000 3.090 591 V HA -0.061 4.059 4.120 0.000 0.000 0.237 591 V C 2.274 178.354 176.094 -0.023 0.000 1.209 591 V CA 0.341 62.621 62.300 -0.033 0.000 1.209 591 V CB -0.775 31.009 31.823 -0.066 0.000 0.971 591 V HN 0.272 nan 8.190 nan 0.000 0.477 592 I N 0.983 121.538 120.570 -0.024 0.000 2.367 592 I HA -0.195 3.975 4.170 0.000 0.000 0.256 592 I C 2.149 178.255 176.117 -0.018 0.000 1.132 592 I CA 2.136 63.427 61.300 -0.015 0.000 1.397 592 I CB -1.229 36.763 38.000 -0.013 0.000 1.074 592 I HN 0.326 nan 8.210 nan 0.000 0.435 593 G N 0.368 109.151 108.800 -0.028 0.000 2.535 593 G HA2 -0.129 3.832 3.960 0.000 0.000 0.218 593 G HA3 -0.129 3.832 3.960 0.000 0.000 0.218 593 G C 0.688 175.572 174.900 -0.026 0.000 1.122 593 G CA 0.763 45.839 45.100 -0.039 0.000 0.769 593 G HN 0.480 nan 8.290 nan 0.000 0.549 594 S N -1.098 114.595 115.700 -0.011 0.000 2.647 594 S HA 0.393 4.863 4.470 0.000 0.000 0.300 594 S C 0.798 175.402 174.600 0.008 0.000 1.129 594 S CA -0.605 57.596 58.200 0.001 0.000 1.029 594 S CB 1.605 64.811 63.200 0.009 0.000 1.007 594 S HN 0.311 nan 8.310 nan 0.000 0.484 595 Q N 3.086 122.893 119.800 0.012 0.000 2.137 595 Q HA -0.001 4.339 4.340 0.000 0.000 0.198 595 Q C 1.302 177.316 176.000 0.023 0.000 0.960 595 Q CA 1.178 56.991 55.803 0.017 0.000 0.847 595 Q CB -0.175 28.573 28.738 0.018 0.000 0.915 595 Q HN 0.779 nan 8.270 nan 0.000 0.448 596 I N 0.071 120.656 120.570 0.024 0.000 2.163 596 I HA -0.268 3.903 4.170 0.000 0.000 0.243 596 I C 2.191 178.328 176.117 0.034 0.000 1.085 596 I CA 1.165 62.482 61.300 0.029 0.000 1.347 596 I CB -0.645 37.374 38.000 0.031 0.000 1.044 596 I HN -0.010 nan 8.210 nan 0.000 0.408 597 V N -0.125 119.808 119.914 0.031 0.000 2.261 597 V HA -0.295 3.825 4.120 0.000 0.000 0.246 597 V C 2.455 178.570 176.094 0.036 0.000 1.047 597 V CA 2.455 64.775 62.300 0.033 0.000 1.015 597 V CB -1.242 30.595 31.823 0.023 0.000 0.642 597 V HN 0.450 nan 8.190 nan 0.000 0.446 598 T N -0.332 114.238 114.554 0.026 0.000 2.737 598 T HA -0.299 4.051 4.350 0.000 0.000 0.269 598 T C 1.904 176.636 174.700 0.054 0.000 1.040 598 T CA 2.089 64.207 62.100 0.030 0.000 1.142 598 T CB -0.222 68.659 68.868 0.023 0.000 0.861 598 T HN 0.499 nan 8.240 nan 0.000 0.456 599 K N 0.734 121.163 120.400 0.048 0.000 1.984 599 K HA 0.002 4.322 4.320 0.000 0.000 0.209 599 K C 2.309 178.949 176.600 0.067 0.000 1.046 599 K CA 1.006 57.323 56.287 0.050 0.000 0.934 599 K CB -0.369 32.153 32.500 0.036 0.000 0.717 599 K HN 0.251 nan 8.250 nan 0.000 0.438 600 L N 1.217 122.480 121.223 0.066 0.000 2.010 600 L HA -0.232 4.108 4.340 0.000 0.000 0.219 600 L C 2.397 179.340 176.870 0.121 0.000 1.077 600 L CA 1.809 56.697 54.840 0.080 0.000 0.773 600 L CB -0.653 41.450 42.059 0.073 0.000 0.892 600 L HN 0.273 nan 8.230 nan 0.000 0.436 601 V N -4.442 115.565 119.914 0.155 0.000 3.573 601 V HA 0.003 4.123 4.120 0.000 0.000 0.270 601 V C 1.653 177.954 176.094 0.345 0.000 1.221 601 V CA 1.350 63.818 62.300 0.279 0.000 1.163 601 V CB -0.512 31.493 31.823 0.303 0.000 0.847 601 V HN 0.618 nan 8.190 nan 0.000 0.468 602 T N -4.504 110.188 114.554 0.230 0.000 3.058 602 T HA 0.395 4.745 4.350 0.000 0.000 0.278 602 T C 0.966 175.733 174.700 0.112 0.000 0.974 602 T CA 0.522 62.767 62.100 0.242 0.000 0.893 602 T CB 0.474 69.464 68.868 0.204 0.000 1.138 602 T HN 0.538 nan 8.240 nan 0.000 0.529 603 E N 0.652 120.894 120.200 0.070 0.000 3.155 603 E HA 0.100 4.450 4.350 0.000 0.000 0.208 603 E C 1.428 178.033 176.600 0.009 0.000 1.060 603 E CA 0.509 56.905 56.400 -0.007 0.000 1.522 603 E CB 0.139 29.835 29.700 -0.007 0.000 1.433 603 E HN 0.213 nan 8.360 nan 0.000 0.709 604 T N 1.461 116.039 114.554 0.039 0.000 2.962 604 T HA -0.067 4.283 4.350 0.000 0.000 0.270 604 T C 1.860 176.593 174.700 0.054 0.000 1.088 604 T CA 1.098 63.222 62.100 0.040 0.000 1.127 604 T CB -0.098 68.798 68.868 0.046 0.000 0.883 604 T HN 0.187 nan 8.240 nan 0.000 0.493 605 A N 1.765 124.635 122.820 0.084 0.000 1.968 605 A HA -0.009 4.311 4.320 0.000 0.000 0.217 605 A C 2.250 179.892 177.584 0.097 0.000 1.169 605 A CA 1.046 53.141 52.037 0.097 0.000 0.638 605 A CB -0.341 18.736 19.000 0.129 0.000 0.812 605 A HN 0.405 nan 8.150 nan 0.000 0.446 606 K N -0.062 120.392 120.400 0.089 0.000 2.113 606 K HA -0.169 4.151 4.320 0.000 0.000 0.208 606 K C 1.182 177.809 176.600 0.045 0.000 1.047 606 K CA 1.669 57.998 56.287 0.070 0.000 0.928 606 K CB -0.149 32.295 32.500 -0.094 0.000 0.716 606 K HN 0.548 nan 8.250 nan 0.000 0.446 607 D N 0.592 121.008 120.400 0.027 0.000 2.278 607 D HA -0.049 4.591 4.640 0.000 0.000 0.228 607 D C 2.105 178.423 176.300 0.030 0.000 1.020 607 D CA 0.569 54.582 54.000 0.022 0.000 0.922 607 D CB -0.511 40.297 40.800 0.013 0.000 1.051 607 D HN 0.005 nan 8.370 nan 0.000 0.452 608 L N 0.560 121.803 121.223 0.033 0.000 2.058 608 L HA -0.216 4.124 4.340 0.000 0.000 0.226 608 L C 2.218 179.109 176.870 0.035 0.000 1.089 608 L CA 1.377 56.238 54.840 0.035 0.000 0.799 608 L CB -0.245 41.840 42.059 0.042 0.000 0.900 608 L HN 0.003 nan 8.230 nan 0.000 0.442 609 V N -1.729 118.210 119.914 0.042 0.000 3.337 609 V HA 0.323 4.443 4.120 0.000 0.000 0.307 609 V C 1.196 177.313 176.094 0.039 0.000 1.505 609 V CA 0.775 63.097 62.300 0.037 0.000 1.072 609 V CB 0.645 32.489 31.823 0.036 0.000 0.929 609 V HN 0.676 nan 8.190 nan 0.000 0.455 610 G N 0.440 109.273 108.800 0.055 0.000 2.435 610 G HA2 -0.248 3.713 3.960 0.000 0.000 0.245 610 G HA3 -0.248 3.713 3.960 0.000 0.000 0.245 610 G C 0.800 175.768 174.900 0.113 0.000 1.073 610 G CA 0.389 45.532 45.100 0.072 0.000 0.638 610 G HN 1.305 nan 8.290 nan 0.000 0.521 611 G N -0.625 108.208 108.800 0.055 0.000 2.522 611 G HA2 0.832 4.792 3.960 0.000 0.000 0.304 611 G HA3 0.832 4.792 3.960 0.000 0.000 0.304 611 G C -0.548 174.395 174.900 0.072 0.000 1.210 611 G CA -0.076 45.006 45.100 -0.031 0.000 0.960 611 G HN 1.723 nan 8.290 nan 0.000 0.497 612 Y N -3.123 117.082 120.300 -0.158 0.000 2.662 612 Y HA 0.611 5.161 4.550 0.000 0.000 0.334 612 Y C -1.537 174.259 175.900 -0.173 0.000 1.185 612 Y CA -2.101 55.927 58.100 -0.121 0.000 1.074 612 Y CB 0.616 39.066 38.460 -0.016 0.000 1.330 612 Y HN 0.442 nan 8.280 nan 0.000 0.458 613 F N 2.409 122.443 119.950 0.140 0.000 2.375 613 F HA 0.624 5.151 4.527 0.000 0.000 0.333 613 F C 0.168 176.066 175.800 0.164 0.000 1.104 613 F CA -0.516 57.522 58.000 0.062 0.000 1.149 613 F CB 1.194 40.220 39.000 0.042 0.000 1.190 613 F HN 0.392 nan 8.300 nan 0.000 0.533 614 I N 3.831 124.604 120.570 0.337 0.000 2.537 614 I HA 0.187 4.357 4.170 0.000 0.000 0.276 614 I C -1.160 175.128 176.117 0.286 0.000 1.063 614 I CA -0.579 60.902 61.300 0.303 0.000 1.144 614 I CB 1.006 39.166 38.000 0.266 0.000 1.252 614 I HN 0.158 nan 8.210 nan 0.000 0.480 615 V N 4.204 124.242 119.914 0.205 0.000 2.427 615 V HA 0.325 4.445 4.120 0.000 0.000 0.268 615 V C -0.053 176.134 176.094 0.154 0.000 1.046 615 V CA 0.051 62.427 62.300 0.127 0.000 0.970 615 V CB 0.818 32.673 31.823 0.053 0.000 1.001 615 V HN 0.620 nan 8.190 nan 0.000 0.476 616 D N 3.153 123.669 120.400 0.193 0.000 2.688 616 D HA 0.118 4.758 4.640 0.000 0.000 0.210 616 D C 0.629 177.047 176.300 0.196 0.000 1.333 616 D CA -0.145 53.965 54.000 0.184 0.000 0.920 616 D CB 2.365 43.279 40.800 0.189 0.000 1.554 616 D HN 0.602 nan 8.370 nan 0.000 0.579 617 T N 0.017 114.634 114.554 0.106 0.000 3.169 617 T HA 0.117 4.467 4.350 0.000 0.000 0.250 617 T C 0.423 175.165 174.700 0.070 0.000 1.111 617 T CA -0.239 61.908 62.100 0.078 0.000 1.010 617 T CB 0.116 69.007 68.868 0.038 0.000 0.984 617 T HN 0.200 nan 8.240 nan 0.000 0.537 618 D N 1.491 121.938 120.400 0.078 0.000 2.441 618 D HA 0.370 5.010 4.640 0.000 0.000 0.231 618 D C -1.820 174.509 176.300 0.049 0.000 1.073 618 D CA -2.680 51.350 54.000 0.051 0.000 0.850 618 D CB 1.830 42.653 40.800 0.039 0.000 1.062 618 D HN -0.144 nan 8.370 nan 0.000 0.524 619 P HA -0.268 nan 4.420 nan 0.000 0.217 619 P C 1.208 178.516 177.300 0.014 0.000 1.162 619 P CA 1.522 64.644 63.100 0.038 0.000 0.901 619 P CB 0.246 31.964 31.700 0.030 0.000 0.793 620 K N -0.621 119.788 120.400 0.015 0.000 2.009 620 K HA -0.139 4.181 4.320 0.000 0.000 0.210 620 K C 2.356 178.959 176.600 0.005 0.000 1.049 620 K CA 1.707 57.999 56.287 0.009 0.000 0.929 620 K CB -1.453 31.054 32.500 0.011 0.000 0.714 620 K HN 0.131 nan 8.250 nan 0.000 0.440 621 S N 0.643 116.350 115.700 0.011 0.000 2.370 621 S HA -0.152 4.318 4.470 0.000 0.000 0.226 621 S C 2.070 176.666 174.600 -0.006 0.000 1.033 621 S CA 1.460 59.669 58.200 0.014 0.000 1.011 621 S CB -0.210 63.007 63.200 0.028 0.000 0.852 621 S HN 0.366 nan 8.310 nan 0.000 0.457 622 A N 1.038 123.829 122.820 -0.048 0.000 1.865 622 A HA 0.053 4.373 4.320 0.000 0.000 0.217 622 A C 2.435 179.926 177.584 -0.156 0.000 1.191 622 A CA 2.026 53.947 52.037 -0.194 0.000 0.623 622 A CB -1.859 16.853 19.000 -0.480 0.000 0.826 622 A HN 0.662 nan 8.150 nan 0.000 0.444 623 G N -0.270 108.481 108.800 -0.082 0.000 2.469 623 G HA2 -0.317 3.643 3.960 0.000 0.000 0.219 623 G HA3 -0.317 3.643 3.960 0.000 0.000 0.219 623 G C 1.127 176.050 174.900 0.037 0.000 1.150 623 G CA 1.439 46.534 45.100 -0.009 0.000 0.763 623 G HN 0.484 nan 8.290 nan 0.000 0.561 624 D N 0.504 120.923 120.400 0.031 0.000 2.144 624 D HA -0.030 4.610 4.640 0.000 0.000 0.200 624 D C 2.544 178.899 176.300 0.092 0.000 0.978 624 D CA 0.843 54.886 54.000 0.071 0.000 0.833 624 D CB -0.128 40.700 40.800 0.046 0.000 0.961 624 D HN 0.340 nan 8.370 nan 0.000 0.470 625 K N 0.119 120.552 120.400 0.054 0.000 2.103 625 K HA 0.006 4.326 4.320 0.000 0.000 0.204 625 K C 2.280 178.921 176.600 0.069 0.000 1.052 625 K CA 0.393 56.720 56.287 0.067 0.000 0.945 625 K CB 0.000 32.540 32.500 0.067 0.000 0.722 625 K HN 0.153 nan 8.250 nan 0.000 0.443 626 L N -0.175 121.070 121.223 0.036 0.000 1.976 626 L HA -0.213 4.127 4.340 0.000 0.000 0.209 626 L C 2.515 179.420 176.870 0.059 0.000 1.071 626 L CA 1.490 56.344 54.840 0.022 0.000 0.746 626 L CB -0.590 41.460 42.059 -0.016 0.000 0.890 626 L HN 0.141 nan 8.230 nan 0.000 0.432 627 Y N 0.490 120.778 120.300 -0.020 0.000 2.256 627 Y HA -0.318 4.232 4.550 0.000 0.000 0.288 627 Y C 2.453 178.355 175.900 0.004 0.000 1.155 627 Y CA 1.352 59.446 58.100 -0.010 0.000 1.203 627 Y CB -0.101 38.357 38.460 -0.004 0.000 0.980 627 Y HN 0.171 nan 8.280 nan 0.000 0.530 628 A N 0.133 123.001 122.820 0.081 0.000 1.902 628 A HA -0.142 4.178 4.320 0.000 0.000 0.217 628 A C 2.368 179.937 177.584 -0.024 0.000 1.181 628 A CA 1.736 53.788 52.037 0.024 0.000 0.623 628 A CB -1.361 17.681 19.000 0.071 0.000 0.818 628 A HN 0.566 nan 8.150 nan 0.000 0.443 629 A N -0.161 122.665 122.820 0.010 0.000 1.898 629 A HA -0.013 4.307 4.320 0.000 0.000 0.216 629 A C 2.106 179.662 177.584 -0.047 0.000 1.181 629 A CA 1.345 53.403 52.037 0.035 0.000 0.620 629 A CB -0.550 18.500 19.000 0.083 0.000 0.819 629 A HN 0.481 nan 8.150 nan 0.000 0.442 630 I N -0.939 119.557 120.570 -0.123 0.000 2.226 630 I HA -0.287 3.883 4.170 0.000 0.000 0.245 630 I C 2.783 178.768 176.117 -0.220 0.000 1.100 630 I CA 1.692 62.883 61.300 -0.181 0.000 1.374 630 I CB -0.253 37.595 38.000 -0.253 0.000 1.057 630 I HN 0.323 nan 8.210 nan 0.000 0.413 631 Q N 0.575 120.189 119.800 -0.310 0.000 2.119 631 Q HA -0.223 4.117 4.340 0.000 0.000 0.201 631 Q C 2.098 178.026 176.000 -0.120 0.000 0.972 631 Q CA 1.473 57.124 55.803 -0.254 0.000 0.847 631 Q CB -0.198 28.377 28.738 -0.272 0.000 0.903 631 Q HN 0.288 nan 8.270 nan 0.000 0.433 632 E N -0.131 120.021 120.200 -0.080 0.000 2.072 632 E HA -0.173 4.177 4.350 0.000 0.000 0.191 632 E C 1.756 178.340 176.600 -0.028 0.000 0.985 632 E CA 0.873 57.252 56.400 -0.034 0.000 0.801 632 E CB 0.102 29.801 29.700 -0.002 0.000 0.750 632 E HN 0.153 nan 8.360 nan 0.000 0.452 633 R N 0.514 120.994 120.500 -0.034 0.000 2.096 633 R HA -0.037 4.303 4.340 0.000 0.000 0.235 633 R C 2.319 178.597 176.300 -0.036 0.000 1.127 633 R CA 0.639 56.723 56.100 -0.026 0.000 0.968 633 R CB -0.565 29.715 30.300 -0.033 0.000 0.861 633 R HN 0.120 nan 8.270 nan 0.000 0.440 634 R N 0.483 120.948 120.500 -0.058 0.000 2.094 634 R HA -0.088 4.252 4.340 0.000 0.000 0.239 634 R C 2.142 178.421 176.300 -0.035 0.000 1.137 634 R CA 1.645 57.713 56.100 -0.053 0.000 0.943 634 R CB -0.933 29.322 30.300 -0.075 0.000 0.850 634 R HN 0.241 nan 8.270 nan 0.000 0.433 635 A N 0.380 123.180 122.820 -0.034 0.000 1.903 635 A HA -0.162 4.158 4.320 0.000 0.000 0.219 635 A C 2.241 179.816 177.584 -0.015 0.000 1.191 635 A CA 2.086 54.110 52.037 -0.022 0.000 0.638 635 A CB -1.225 17.764 19.000 -0.020 0.000 0.823 635 A HN 0.485 nan 8.150 nan 0.000 0.451 636 G N -1.489 107.303 108.800 -0.014 0.000 2.740 636 G HA2 0.299 4.259 3.960 0.000 0.000 0.208 636 G HA3 0.299 4.259 3.960 0.000 0.000 0.208 636 G C 0.423 175.317 174.900 -0.009 0.000 1.148 636 G CA 0.467 45.562 45.100 -0.009 0.000 0.795 636 G HN 0.404 nan 8.290 nan 0.000 0.526 637 L N 0.000 121.216 121.223 -0.012 0.000 2.949 637 L HA 0.000 4.340 4.340 0.000 0.000 0.249 637 L CA 0.000 54.834 54.840 -0.011 0.000 0.813 637 L CB 0.000 42.051 42.059 -0.013 0.000 0.961 637 L HN 0.000 nan 8.230 nan 0.000 0.502